A0A3Q0KLW3_SCHMA Loading...

Alpha-mannosidase

AlphaFold DB , UniProt , Accession A0A3Q0KLW3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,159 aa.

						>A0A3Q0KLW3_SCHMA|A0A3Q0KLW3
MSYLKNNSFKSSLLLIILIDILITLSIFTLHADAYSFRNVFKYFNRPKCGYNSCNLGKPGYLNIHLVPHTHDDVGWLKTVDQYYYGANNTIQRAGVQYILDNVIQALVDDPKRRFTYVEMTFFMKWWTGQTLAKRQIVKDLVESGQLQFALGGWSMADEATVYYADAIDQLTRGRDVLKQLFGDCGRPLVAWQIDPFGHSRDHSDLFQDAGFDAVYFQRMDFREKLIRKRLKQLEVLWDTNIEMKETGYGLFTSMFHDSYCYPESFCFDDKCLDEPIKDDPNLEGYNVKSRVDDFLNYVNLISRAFKTNHIMILMGCDFTYENANMNYKNMDKLIAYVNQRQKLNNSQVNLLYSTPACYTKAVNEEFNRIGTIDRRGGDFFPYASGLHSYWTGYYTSRPALKYYVRQASNLLSMCEQVHLHVDRLSQMNDYQKQVATDELIDTLRKTLGVLQHHDAVSGTEKQHVANDYAWRLTKASKLCQSLISQSLIKLLPTLKPFIEKNNVIFCDLLNISLCDATEGLRPQLNHFNQGGVFIILYNPLGWEQLSTWIRLPIYIPENYSSNDLQVILKDLRQLPSSSSSSSSSTSSSRSQTSSRLLNNNLEYQLVPITERTLNIPERHSDEHLANYEIVFNVKLLSPIGFSLFYLALNKTTYQNQDVYNHYEPLQTDTSSMSSSSSSSSIPTVSSVHSPVDIDQLSSKTIEFNAHFIEDSHNPLIITMKHLKSGGYMNLSIELLYYLGETTYPQPSGAYIFLPKNGTFIQKFPRPMVNVIDGPCVKEFHLTYSSWASLVVRLYNNGELEVEWTAGPIPDDGHINSRELVIRYTLNNDNMLVKNPGEFFTDSSGRRLIKRIRNQRIDWNLPITFNETENVSGNYYPVINRIMLKNILLSKPNESQIENNEIPIGLAIYTDRAQGGTSLKDGQIELMLHRRLVRDDGFGVSEALMENGLDHRGLIVRGIHKIRFDELQIIESQDRITSQIISKPIIPLFIQAKYQPESIQVNGWTGINIALPDHIHLLSLTSWPLNRVSLPDPKVPNQILIRLENLQTVTNDLERKPHSLDLTNLIKGIEVIGMKEVTLTGDELKCEALTRRLKWPTEIHVNDSQTIQNKQSCNRRSNLKSKNVIVTIEPGKIVTYILDYELLNENYHHHHIYSLFNFE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.5	Very low	48.4	Very low	240 Å²	240	152.5 Å²	152.5	100%	1.182	77%	0.771	S	S	*	*				0	119.1	0	-91.1	175.2	165.2	0	0	109.5
2	S	38.3	Very low	50.2	Low	100 Å²	100	144.5 Å²	144.5	70%	0.699	74%	0.74	S	S	*	*			trans	33.2	99.9	151.8	175.2	0	0	0	0	119.4
3	Y	36.4	Very low	52.1	Low	220 Å²	220	140.9 Å²	140.9	86%	0.863	72%	0.722	S	S	*	*			trans	-140.1	45.8	143	-96.5	-80.5	0	0	0	110.9	K5	Y3-K5 PolarHBondContact O-N 3.18Å
4	L	42.1	Very low	53.7	Low	177 Å²	177	138.9 Å²	138.9	93%	0.927	71%	0.713	S	S	*	*			trans	-79.1	32.4	167.6	-94.2	168.1	0	0	0	112.5
5	K	49.6	Very low	55.4	Low	179 Å²	179	136.5 Å²	136.5	78%	0.778	70%	0.701	S	S	*	*			trans	-117.7	6.7	-171.5	-106.5	-173.3	179.1	-176.1	0	118.4	Y3	Y3-K5 PolarHBondContact O-N 3.18Å
6	N	50	Low	56.9	Low	129 Å²	129	133.8 Å²	133.8	69%	0.69	69%	0.687	S	S	*	*	S	Bend	trans	-109.9	-1	-178.9	-88.3	0.8	0	0	0	117.7
7	N	53.1	Low	58.2	Low	132 Å²	132	131.1 Å²	131.1	71%	0.706	67%	0.673	S	S	*	*	H	α-helix	trans	-84.5	-14.7	179.1	-82.3	-11	0	0	0	115	F9 S11	N7-F9 VanDerWaalsContact C-N 3.31Å; N7-F9 PolarHBondContact O-N 3.42Å; N7-S11 PolarHBondContact O-N 2.75Å
8	S	55.7	Low	59.5	Low	87 Å²	87	128.4 Å²	128.4	61%	0.608	66%	0.66	S	S	*	*	H	α-helix	trans	-65.6	-33	176.9	162	0	0	0	0	112.5	S12	S8-S12 WeakPolarHBondContact O-CB 3.26Å; S8-S12 PolarHBondContact O-N 3.1Å; S8-S12 VanDerWaalsContact O-N 3.1Å; S8-S12 PolarHBondContact O-OG 3.35Å
9	F	57.3	Low	60.6	Low	168 Å²	168	125.7 Å²	125.7	74%	0.737	65%	0.646	S	S	*	*	H	α-helix	trans	-72.3	-38.5	-177.2	-139.5	-92	0	0	0	112.5	N7 S12 L13	N7-F9 VanDerWaalsContact C-N 3.31Å; N7-F9 PolarHBondContact O-N 3.42Å; F9-S12 PolarHBondContact O-N 2.99Å; F9-L13 WeakPolarHBondContact O-CB 3.43Å; F9-L13 PolarHBondContact O-N 3.03Å
10	K	56.6	Low	61.4	Low	161 Å²	161	124.1 Å²	124.1	70%	0.7	64%	0.638	S	S	*	*	H	α-helix	trans	-67	-40.7	176.4	-78	-171.8	176.9	-176.9	0	112.7	S12 L13 L14	K10-S12 VanDerWaalsContact C-N 3.34Å; K10-L13 PolarHBondContact O-N 3.42Å; K10-L14 WeakPolarHBondContact O-CB 3.45Å; K10-L14 PolarHBondContact O-N 3.24Å
11	S	64.6	Low	62.4	Low	85 Å²	85	122.1 Å²	122.1	59%	0.594	63%	0.628	S	S	*	*	H	α-helix	trans	-66.2	-37.9	176.6	-171.6	0	0	0	0	112	N7 L15	N7-S11 PolarHBondContact O-N 2.75Å; S11-L15 WeakPolarHBondContact O-CB 3.5Å; S11-L15 PolarHBondContact O-N 3.42Å
12	S	70.8	Confident	64.8	Low	56 Å²	56	115.9 Å²	115.9	39%	0.392	60%	0.599	S	S	.	*	H	α-helix	trans	-69.4	-40.5	178.3	-53.2	0	0	0	0	111.3	S8 F9 K10 L15 I16	S8-S12 WeakPolarHBondContact O-CB 3.26Å; S8-S12 PolarHBondContact O-N 3.1Å; S8-S12 VanDerWaalsContact O-N 3.1Å; S8-S12 PolarHBondContact O-OG 3.35Å; F9-S12 PolarHBondContact O-N 2.99Å; K10-S12 VanDerWaalsContact C-N 3.34Å; S12-L15 PolarHBondContact O-N 3.48Å; S12-I16 VanDerWaalsContact O-CG1 3.26Å; S12-I16 WeakPolarHBondContact O-CG1 3.44Å; S12-I16 PolarHBondContact O-N 2.96Å
13	L	74.2	Confident	66.7	Low	98 Å²	98	114.8 Å²	114.8	51%	0.513	59%	0.585	S	S	.	*	H	α-helix	trans	-64.2	-41.6	175.3	-164.2	76.9	0	0	0	111.9	F9 K10 L15 I16 I17	F9-L13 WeakPolarHBondContact O-CB 3.43Å; F9-L13 PolarHBondContact O-N 3.03Å; K10-L13 PolarHBondContact O-N 3.42Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 3.05Å; L13-I16 PolarHBondContact O-N 2.85Å; L13-I17 HydrophobicContact CG-CD1 4.33Å; L13-I17 VanDerWaalsContact O-CG1 3.3Å; L13-I17 WeakPolarHBondContact O-CG1 3.46Å; L13-I17 PolarHBondContact O-N 3.46Å
14	L	75.1	Confident	68.4	Low	113 Å²	113	108.1 Å²	108.1	59%	0.592	57%	0.567	S	S	*	*	H	α-helix	trans	-65	-38.1	177.5	-148.7	104	0	0	0	111.8	K10 I17 L18	K10-L14 WeakPolarHBondContact O-CB 3.45Å; K10-L14 PolarHBondContact O-N 3.24Å; L14-I17 PolarHBondContact O-N 3.43Å; L14-L18 HydrophobicContact CD2-CD1 4.26Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 3.33Å
15	L	78.8	Confident	69.8	Low	103 Å²	103	104.2 Å²	104.2	54%	0.539	55%	0.547	S	S	.	.	H	α-helix	trans	-66.8	-41.3	176	-163.8	79.2	0	0	0	111.5	S11 S12 L13 L18 I19	S11-L15 WeakPolarHBondContact O-CB 3.5Å; S11-L15 PolarHBondContact O-N 3.42Å; S12-L15 PolarHBondContact O-N 3.48Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 3.05Å; L15-L18 PolarHBondContact O-N 3.29Å; L15-I19 HydrophobicContact CD2-CD1 4.3Å; L15-I19 HydrophobicContact CG-CD1 4.04Å; L15-I19 WeakPolarHBondContact O-CB 3.3Å; L15-I19 VanDerWaalsContact O-CG1 3.23Å; L15-I19 WeakPolarHBondContact O-CG1 3.45Å; L15-I19 PolarHBondContact O-N 3.47Å
16	I	78.9	Confident	70.7	Confident	93 Å²	93	97.8 Å²	97.8	48%	0.477	53%	0.525	S	S	.	.	H	α-helix	trans	-62.7	-44.5	175.4	-67.9	163.4	0	0	0	110.4	S12 L13 L18 I19 D20	S12-I16 VanDerWaalsContact O-CG1 3.26Å; S12-I16 WeakPolarHBondContact O-CG1 3.44Å; S12-I16 PolarHBondContact O-N 2.96Å; L13-I16 PolarHBondContact O-N 2.85Å; I16-L18 VanDerWaalsContact C-N 3.33Å; I16-L18 PolarHBondContact O-N 2.98Å; I16-I19 PolarHBondContact O-N 2.96Å; I16-D20 WeakPolarHBondContact O-CB 3.23Å; I16-D20 PolarHBondContact O-N 3.4Å
17	I	80	Confident	71.5	Confident	87 Å²	87	95.8 Å²	95.8	45%	0.446	51%	0.513	S	S	.	.	H	α-helix	trans	-61.1	-42.6	175.7	-67.3	165	0	0	0	111	L13 L14 D20 I21	L13-I17 HydrophobicContact CG-CD1 4.33Å; L13-I17 VanDerWaalsContact O-CG1 3.3Å; L13-I17 WeakPolarHBondContact O-CG1 3.46Å; L13-I17 PolarHBondContact O-N 3.46Å; L14-I17 PolarHBondContact O-N 3.43Å; I17-D20 PolarHBondContact O-N 2.73Å; I17-I21 HydrophobicContact CG2-CD1 3.78Å; I17-I21 HydrophobicContact CG2-CG1 4.41Å; I17-I21 WeakPolarHBondContact O-CB 3.45Å; I17-I21 WeakPolarHBondContact O-CG1 3.29Å; I17-I21 PolarHBondContact O-N 2.84Å
18	L	80.6	Confident	71.6	Confident	84 Å²	84	95.9 Å²	95.9	44%	0.44	51%	0.507	S	S	.	.	H	α-helix	trans	-64.8	-40.2	176.6	-97.2	152.4	0	0	0	112.4	L14 L15 I16 I21 L22	L14-L18 HydrophobicContact CD2-CD1 4.26Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 PolarHBondContact O-N 3.33Å; L15-L18 PolarHBondContact O-N 3.29Å; I16-L18 VanDerWaalsContact C-N 3.33Å; I16-L18 PolarHBondContact O-N 2.98Å; L18-I21 PolarHBondContact O-N 3.44Å; L18-L22 VanDerWaalsContact O-CB 3.32Å; L18-L22 WeakPolarHBondContact O-CB 3.29Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 2.85Å
19	I	81.3	Confident	71.9	Confident	77 Å²	77	95.3 Å²	95.3	40%	0.395	50%	0.5	S	S	.	.	H	α-helix	trans	-66.6	-43.4	175.7	-69.9	165.9	0	0	0	110	L15 I16 I21 L22 I23	L15-I19 HydrophobicContact CD2-CD1 4.3Å; L15-I19 HydrophobicContact CG-CD1 4.04Å; L15-I19 WeakPolarHBondContact O-CB 3.3Å; L15-I19 VanDerWaalsContact O-CG1 3.23Å; L15-I19 WeakPolarHBondContact O-CG1 3.45Å; L15-I19 PolarHBondContact O-N 3.47Å; I16-I19 PolarHBondContact O-N 2.96Å; I19-I21 PolarHBondContact O-N 2.66Å; I19-L22 CarbonylContact O-C 3.59Å; I19-L22 PolarHBondContact O-N 2.8Å; I19-I23 HydrophobicContact CG2-CD1 3.53Å; I19-I23 HydrophobicContact CG2-CG1 4.11Å; I19-I23 WeakPolarHBondContact O-CB 3.2Å; I19-I23 VanDerWaalsContact O-CG1 3.23Å; I19-I23 WeakPolarHBondContact O-CG1 3.41Å; I19-I23 PolarHBondContact O-N 2.81Å
20	D	77.1	Confident	71.9	Confident	92 Å²	92	94.1 Å²	94.1	49%	0.492	50%	0.501	S	S	.	.	H	α-helix	trans	-63.4	-40.1	175	-84	-21.3	0	0	0	111.6	I16 I17 T24	I16-D20 WeakPolarHBondContact O-CB 3.23Å; I16-D20 PolarHBondContact O-N 3.4Å; I17-D20 PolarHBondContact O-N 2.73Å; D20-T24 VanDerWaalsContact O-CB 3.29Å; D20-T24 WeakPolarHBondContact O-CB 3.23Å; D20-T24 VanDerWaalsContact O-CG2 3.29Å; D20-T24 WeakPolarHBondContact O-CG2 3.34Å; D20-T24 PolarHBondContact O-N 3.21Å; D20-T24 PolarHBondContact O-OG1 3.48Å
21	I	81.5	Confident	71.8	Confident	83 Å²	83	93.5 Å²	93.5	43%	0.426	50%	0.5	S	S	.	.	H	α-helix	trans	-63.1	-44	172.9	-70.6	167.3	0	0	0	110.5	I17 L18 I19 T24 L25	I17-I21 HydrophobicContact CG2-CD1 3.78Å; I17-I21 HydrophobicContact CG2-CG1 4.41Å; I17-I21 WeakPolarHBondContact O-CB 3.45Å; I17-I21 WeakPolarHBondContact O-CG1 3.29Å; I17-I21 PolarHBondContact O-N 2.84Å; L18-I21 PolarHBondContact O-N 3.44Å; I19-I21 PolarHBondContact O-N 2.66Å; I21-T24 VanDerWaalsContact CA-OG1 3.29Å; I21-T24 WeakPolarHBondContact CA-OG1 3.23Å; I21-T24 PolarHBondContact O-OG1 3.38Å; I21-L25 HydrophobicContact CG2-CD1 3.65Å; I21-L25 VanDerWaalsContact O-CB 3.27Å; I21-L25 WeakPolarHBondContact O-CB 3.38Å; I21-L25 WeakPolarHBondContact O-CD1 3.36Å; I21-L25 PolarHBondContact O-N 2.75Å
22	L	79.8	Confident	71	Confident	110 Å²	110	90.5 Å²	90.5	58%	0.576	48%	0.481	S	S	*	.	H	α-helix	trans	-68.8	-39.5	178.7	-85.6	158.5	0	0	0	112.3	L18 I19 L25 S26	L18-L22 VanDerWaalsContact O-CB 3.32Å; L18-L22 WeakPolarHBondContact O-CB 3.29Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 2.85Å; I19-L22 CarbonylContact O-C 3.59Å; I19-L22 PolarHBondContact O-N 2.8Å; L22-L25 PolarHBondContact O-N 2.75Å; L22-S26 WeakPolarHBondContact O-CB 3.27Å; L22-S26 PolarHBondContact O-N 3.49Å; L22-S26 PolarHBondContact O-OG 2.96Å
23	I	77.8	Confident	69.9	Low	76 Å²	76	94.1 Å²	94.1	39%	0.39	50%	0.495	S	S	.	.	H	α-helix	trans	-67.2	-48	175.8	-70.8	171.8	0	0	0	108.9	I19 L25 S26 I27	I19-I23 HydrophobicContact CG2-CD1 3.53Å; I19-I23 HydrophobicContact CG2-CG1 4.11Å; I19-I23 WeakPolarHBondContact O-CB 3.2Å; I19-I23 VanDerWaalsContact O-CG1 3.23Å; I19-I23 WeakPolarHBondContact O-CG1 3.41Å; I19-I23 PolarHBondContact O-N 2.81Å; I23-L25 VanDerWaalsContact C-N 3.35Å; I23-L25 PolarHBondContact O-N 3.44Å; I23-S26 WeakPolarHBondContact CA-OG 3.32Å; I23-S26 PolarHBondContact O-N 2.86Å; I23-S26 VanDerWaalsContact O-N 3.13Å; I23-S26 PolarHBondContact O-OG 3.13Å; I23-I27 HydrophobicContact CG2-CD1 3.56Å; I23-I27 HydrophobicContact CG2-CG1 4.16Å; I23-I27 WeakPolarHBondContact O-CB 3.38Å; I23-I27 VanDerWaalsContact O-CG1 3.23Å; I23-I27 WeakPolarHBondContact O-CG1 3.22Å; I23-I27 PolarHBondContact O-N 2.81Å
24	T	72.4	Confident	68.9	Low	80 Å²	80	93.7 Å²	93.7	49%	0.491	51%	0.506	S	S	.	.	H	α-helix	trans	-60.8	-42.1	175.4	48.8	0	0	0	0	111.6	D20 I21 F28	D20-T24 VanDerWaalsContact O-CB 3.29Å; D20-T24 WeakPolarHBondContact O-CB 3.23Å; D20-T24 VanDerWaalsContact O-CG2 3.29Å; D20-T24 WeakPolarHBondContact O-CG2 3.34Å; D20-T24 PolarHBondContact O-N 3.21Å; D20-T24 PolarHBondContact O-OG1 3.48Å; I21-T24 VanDerWaalsContact CA-OG1 3.29Å; I21-T24 WeakPolarHBondContact CA-OG1 3.23Å; I21-T24 PolarHBondContact O-OG1 3.38Å; T24-F28 VanDerWaalsContact O-CB 3.27Å; T24-F28 WeakPolarHBondContact O-CB 3.42Å; T24-F28 PolarHBondContact O-N 2.78Å
25	L	70.7	Confident	67.7	Low	95 Å²	95	94.3 Å²	94.3	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-63.6	-39.8	171.9	-103.6	119.3	0	0	0	112.5	I21 L22 I23 F28 T29	I21-L25 HydrophobicContact CG2-CD1 3.65Å; I21-L25 VanDerWaalsContact O-CB 3.27Å; I21-L25 WeakPolarHBondContact O-CB 3.38Å; I21-L25 WeakPolarHBondContact O-CD1 3.36Å; I21-L25 PolarHBondContact O-N 2.75Å; L22-L25 PolarHBondContact O-N 2.75Å; I23-L25 VanDerWaalsContact C-N 3.35Å; I23-L25 PolarHBondContact O-N 3.44Å; L25-F28 CarbonylContact O-C 3.59Å; L25-F28 WeakPolarHBondContact O-CA 3.39Å; L25-F28 WeakPolarHBondContact O-CB 3.22Å; L25-F28 PolarHBondContact O-N 3.28Å; L25-T29 WeakPolarHBondContact O-CG2 3.36Å; L25-T29 PolarHBondContact O-N 3.48Å; L25-T29 PolarHBondContact O-OG1 3.06Å
26	S	68.6	Low	66.4	Low	45 Å²	45	91.4 Å²	91.4	32%	0.315	49%	0.49	S	S	.	.	H	α-helix	trans	-70.7	-38.3	179.4	77.8	0	0	0	0	112	L22 I23 F28 T29 L30	L22-S26 WeakPolarHBondContact O-CB 3.27Å; L22-S26 PolarHBondContact O-N 3.49Å; L22-S26 PolarHBondContact O-OG 2.96Å; I23-S26 WeakPolarHBondContact CA-OG 3.32Å; I23-S26 PolarHBondContact O-N 2.86Å; I23-S26 VanDerWaalsContact O-N 3.13Å; I23-S26 PolarHBondContact O-OG 3.13Å; S26-F28 VanDerWaalsContact C-N 3.3Å; S26-T29 WeakPolarHBondContact CA-OG1 3.29Å; S26-T29 PolarHBondContact O-N 2.8Å; S26-T29 PolarHBondContact O-OG1 3.21Å; S26-T29 VanDerWaalsContact O-OG1 3.06Å; S26-L30 VanDerWaalsContact O-CB 3.22Å; S26-L30 WeakPolarHBondContact O-CB 2.78Å; S26-L30 WeakPolarHBondContact O-CD1 3.37Å; S26-L30 WeakPolarHBondContact O-CG 3.27Å; S26-L30 PolarHBondContact O-N 3.26Å
27	I	66.4	Low	65.1	Low	86 Å²	86	92.8 Å²	92.8	44%	0.441	49%	0.493	S	S	.	.	H	α-helix	trans	-65.6	-41.6	171.2	-67.8	170.2	0	0	0	108.1	I23 T29 L30 H31	I23-I27 HydrophobicContact CG2-CD1 3.56Å; I23-I27 HydrophobicContact CG2-CG1 4.16Å; I23-I27 WeakPolarHBondContact O-CB 3.38Å; I23-I27 VanDerWaalsContact O-CG1 3.23Å; I23-I27 WeakPolarHBondContact O-CG1 3.22Å; I23-I27 PolarHBondContact O-N 2.81Å; I27-T29 VanDerWaalsContact C-N 3.35Å; I27-T29 PolarHBondContact O-N 3.01Å; I27-L30 PolarHBondContact O-N 2.87Å; I27-H31 VanDerWaalsContact O-CB 3.26Å; I27-H31 WeakPolarHBondContact O-CB 3.27Å; I27-H31 PolarHBondContact O-N 2.75Å; I27-H31 PolarHBondContact O-ND1 3.39Å
28	F	56.4	Low	63.7	Low	134 Å²	134	96.8 Å²	96.8	59%	0.588	50%	0.502	S	S	*	.	H	α-helix	trans	-60.9	-40.6	172.7	-127.2	-93.5	0	0	0	111.3	T24 L25 S26 A32	T24-F28 VanDerWaalsContact O-CB 3.27Å; T24-F28 WeakPolarHBondContact O-CB 3.42Å; T24-F28 PolarHBondContact O-N 2.78Å; L25-F28 CarbonylContact O-C 3.59Å; L25-F28 WeakPolarHBondContact O-CA 3.39Å; L25-F28 WeakPolarHBondContact O-CB 3.22Å; L25-F28 PolarHBondContact O-N 3.28Å; S26-F28 VanDerWaalsContact C-N 3.3Å; F28-A32 HydrophobicContact CD1-CB 4.35Å; F28-A32 VanDerWaalsContact O-CA 3.27Å; F28-A32 WeakPolarHBondContact O-CA 3.49Å; F28-A32 WeakPolarHBondContact O-CB 3.26Å; F28-A32 PolarHBondContact O-N 3.43Å
29	T	60.3	Low	62.2	Low	76 Å²	76	95.5 Å²	95.5	47%	0.466	50%	0.496	S	S	.	.	H	α-helix	trans	-80.6	-26.3	179.6	54.4	0	0	0	0	113.8	L25 S26 I27 F37	L25-T29 WeakPolarHBondContact O-CG2 3.36Å; L25-T29 PolarHBondContact O-N 3.48Å; L25-T29 PolarHBondContact O-OG1 3.06Å; S26-T29 WeakPolarHBondContact CA-OG1 3.29Å; S26-T29 PolarHBondContact O-N 2.8Å; S26-T29 PolarHBondContact O-OG1 3.21Å; S26-T29 VanDerWaalsContact O-OG1 3.06Å; I27-T29 VanDerWaalsContact C-N 3.35Å; I27-T29 PolarHBondContact O-N 3.01Å; T29-F37 HydrophobicContact CG2-CE2 3.99Å
30	L	58.9	Low	60.8	Low	142 Å²	142	95.7 Å²	95.7	74%	0.743	50%	0.5	S	S	*	.	H	α-helix	trans	-79.4	-27.2	174.2	-81.3	156.3	0	0	0	112.6	S26 I27	S26-L30 VanDerWaalsContact O-CB 3.22Å; S26-L30 WeakPolarHBondContact O-CB 2.78Å; S26-L30 WeakPolarHBondContact O-CD1 3.37Å; S26-L30 WeakPolarHBondContact O-CG 3.27Å; S26-L30 PolarHBondContact O-N 3.26Å; I27-L30 PolarHBondContact O-N 2.87Å
31	H	54.9	Low	59.6	Low	148 Å²	148	98.2 Å²	98.2	69%	0.685	51%	0.507	S	S	*	.	H	α-helix	trans	-109.8	-15.2	179.8	-63.8	74.8	0	0	0	113.8	I27 D33	I27-H31 VanDerWaalsContact O-CB 3.26Å; I27-H31 WeakPolarHBondContact O-CB 3.27Å; I27-H31 PolarHBondContact O-N 2.75Å; I27-H31 PolarHBondContact O-ND1 3.39Å; H31-D33 PolarHBondContact O-N 2.72Å
32	A	46.6	Very low	58.1	Low	23 Å²	23	97.1 Å²	97.1	19%	0.19	50%	0.499	C	S	.	.	S	Bend	trans	-81.5	110.6	167.1	0	0	0	0	0	108.6	F28 S36	F28-A32 HydrophobicContact CD1-CB 4.35Å; F28-A32 VanDerWaalsContact O-CA 3.27Å; F28-A32 WeakPolarHBondContact O-CA 3.49Å; F28-A32 WeakPolarHBondContact O-CB 3.26Å; F28-A32 PolarHBondContact O-N 3.43Å; A32-S36 VanDerWaalsContact CB-CB 3.44Å
33	D	48.4	Very low	56.6	Low	131 Å²	131	101.6 Å²	101.6	70%	0.701	51%	0.51	S	S	*	.			trans	-48.1	152.2	156.3	-70.6	-31.4	0	0	0	109.7	H31 Y35 S36	H31-D33 PolarHBondContact O-N 2.72Å; D33-Y35 CarbonylContact O-C 3.48Å; D33-Y35 PolarHBondContact O-N 2.76Å; D33-S36 PolarHBondContact O-N 3.27Å
34	A	53.4	Low	55.4	Low	89 Å²	89	105.8 Å²	105.8	74%	0.736	53%	0.526	S	S	*	.	H	α-helix	trans	-46	-21.6	172.2	0	0	0	0	0	113.3	R38	A34-R38 PolarHBondContact O-N 2.81Å
35	Y	49.8	Very low	54.5	Low	126 Å²	126	108 Å²	108	49%	0.494	54%	0.535	S	S	.	.	H	α-helix	trans	-51.2	-49.5	167	-165.9	-99.8	0	0	0	115.1	D33 R38 N39 Q136	D33-Y35 CarbonylContact O-C 3.48Å; D33-Y35 PolarHBondContact O-N 2.76Å; Y35-R38 PolarHBondContact O-N 3.22Å; Y35-N39 VanDerWaalsContact CE1-ND2 3.27Å; Y35-N39 WeakPolarHBondContact CE1-ND2 3.36Å; Y35-N39 PolarHBondContact O-N 3.16Å; Y35-N39 PolarHBondContact O-ND2 3.23Å; Y35-Q136 HydrophobicContact CE2-CB 4.48Å; Y35-Q136 HydrophobicContact CE2-CG 3.96Å; Y35-Q136 PolarHBondContact OH-OE1 3.48Å
36	S	50.9	Low	53.7	Low	43 Å²	43	114.4 Å²	114.4	30%	0.301	55%	0.552	S	S	.	*	H	α-helix	trans	-69.6	-38.6	-176.3	-145.2	0	0	0	0	111.5	A32 D33 R38 N39 V40	A32-S36 VanDerWaalsContact CB-CB 3.44Å; D33-S36 PolarHBondContact O-N 3.27Å; S36-R38 PolarHBondContact O-N 3.24Å; S36-N39 PolarHBondContact O-N 3.47Å; S36-V40 PolarHBondContact O-N 3.47Å; S36-V40 VanDerWaalsContact O-N 3.16Å
37	F	52.3	Low	53.1	Low	122 Å²	122	115.5 Å²	115.5	54%	0.535	56%	0.558	S	S	.	*	H	α-helix	trans	-66.1	-38.2	178.7	-128.6	-88.2	0	0	0	112.3	T29 N39 V40 F41	T29-F37 HydrophobicContact CG2-CE2 3.99Å; F37-N39 VanDerWaalsContact C-N 3.31Å; F37-N39 PolarHBondContact O-N 3.25Å; F37-V40 PolarHBondContact O-N 3.23Å; F37-F41 PolarHBondContact O-N 3.41Å
38	R	49.9	Very low	53.5	Low	171 Å²	171	118.7 Å²	118.7	65%	0.645	57%	0.569	S	S	*	*	H	α-helix	trans	-65.5	-34	175.1	-152	177	-174.6	-171	1	111.9	A34 Y35 S36 K42	A34-R38 PolarHBondContact O-N 2.81Å; Y35-R38 PolarHBondContact O-N 3.22Å; S36-R38 PolarHBondContact O-N 3.24Å; R38-K42 WeakPolarHBondContact O-CG 3.45Å; R38-K42 PolarHBondContact O-N 3.39Å
39	N	49.8	Very low	54.8	Low	57 Å²	57	113.5 Å²	113.5	31%	0.305	55%	0.549	S	S	.	.	H	α-helix	trans	-71.6	-34.4	176.8	-70.9	-25	0	0	0	113.2	Y35 S36 F37 K42 Y43	Y35-N39 VanDerWaalsContact CE1-ND2 3.27Å; Y35-N39 WeakPolarHBondContact CE1-ND2 3.36Å; Y35-N39 PolarHBondContact O-N 3.16Å; Y35-N39 PolarHBondContact O-ND2 3.23Å; S36-N39 PolarHBondContact O-N 3.47Å; F37-N39 VanDerWaalsContact C-N 3.31Å; F37-N39 PolarHBondContact O-N 3.25Å; N39-K42 PolarHBondContact O-N 3.44Å; N39-Y43 PolarHBondContact O-N 3.24Å; N39-Y43 VanDerWaalsContact O-N 3.16Å
40	V	51.7	Low	56.2	Low	80 Å²	80	110.7 Å²	110.7	49%	0.485	54%	0.535	S	S	.	.	H	α-helix	trans	-64.2	-44.3	175.9	175.4	0	0	0	0	111.2	S36 F37 K42 Y43 F44	S36-V40 PolarHBondContact O-N 3.47Å; S36-V40 VanDerWaalsContact O-N 3.16Å; F37-V40 PolarHBondContact O-N 3.23Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 3.31Å; V40-Y43 PolarHBondContact O-N 3.22Å; V40-F44 HydrophobicContact CG1-CE2 4.35Å; V40-F44 WeakPolarHBondContact O-CD2 3.27Å
41	F	51.5	Low	57.9	Low	145 Å²	145	105.4 Å²	105.4	64%	0.636	51%	0.505	S	S	*	.	H	α-helix	trans	-66.2	-31.6	175.6	-95.5	-83	0	0	0	113.3	F37 F44	F37-F41 PolarHBondContact O-N 3.41Å; F41-F44 PolarHBondContact O-N 3.16Å
42	K	48.9	Very low	59.6	Low	61 Å²	61	104 Å²	104	27%	0.265	50%	0.503	S	S	.	.	H	α-helix	trans	-65	-34.9	172.9	-79.1	-179.5	-178.7	174.4	0	113.1	R38 N39 V40 F44 N45 D140	R38-K42 WeakPolarHBondContact O-CG 3.45Å; R38-K42 PolarHBondContact O-N 3.39Å; N39-K42 PolarHBondContact O-N 3.44Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 3.31Å; K42-F44 PolarHBondContact O-N 3.45Å; K42-N45 CarbonylContact O-C 3.46Å; K42-N45 PolarHBondContact O-N 3.38Å; K42-N45 VanDerWaalsContact O-O 3.07Å; K42-D140 IonicContact NZ-OD1 2.62Å; K42-D140 PolarHBondContact NZ-OD1 2.75Å; K42-D140 IonicContact NZ-OD2 2.75Å; K42-D140 PolarHBondContact NZ-OD2 2.62Å
43	Y	49.2	Very low	61.8	Low	203 Å²	203	104 Å²	104	80%	0.796	50%	0.501	S	S	*	.	H	α-helix	trans	-62.3	-30	-180	-159.1	-93	0	0	0	112.6	N39 V40	N39-Y43 PolarHBondContact O-N 3.24Å; N39-Y43 VanDerWaalsContact O-N 3.16Å; V40-Y43 PolarHBondContact O-N 3.22Å
44	F	51.9	Low	64	Low	165 Å²	165	98.8 Å²	98.8	72%	0.724	48%	0.475	S	S	*	.	H	α-helix	trans	-83.6	-24	178.5	-71.3	-76	0	0	0	114.2	V40 F41 K42	V40-F44 HydrophobicContact CG1-CE2 4.35Å; V40-F44 WeakPolarHBondContact O-CD2 3.27Å; F41-F44 PolarHBondContact O-N 3.16Å; K42-F44 PolarHBondContact O-N 3.45Å
45	N	53.1	Low	66	Low	127 Å²	127	98.9 Å²	98.9	68%	0.679	46%	0.463	S	S	*	.	S	Bend	trans	-110.7	89.6	175.9	-80	-30.9	0	0	0	109.8	K42 P47	K42-N45 CarbonylContact O-C 3.46Å; K42-N45 PolarHBondContact O-N 3.38Å; K42-N45 VanDerWaalsContact O-O 3.07Å; N45-P47 WeakPolarHBondContact O-CD 3.44Å; N45-P47 VanDerWaalsContact O-N 3.16Å
46	R	53.8	Low	68.2	Low	229 Å²	229	94.5 Å²	94.5	86%	0.864	45%	0.448	S	S	*	.			trans	-52.4	124.2	170.8	-77.8	-171	179.4	-170.2	-0	109.3	K48	R46-K48 PolarHBondContact O-N 3.43Å
47	P	56.8	Low	70.4	Confident	68 Å²	68	93.4 Å²	93.4	44%	0.442	44%	0.444	S	S	.	.			trans	-57.8	136.5	178.3	-19.4	27.9	0	0	0	110.9	N45 C49 E143	N45-P47 WeakPolarHBondContact O-CD 3.44Å; N45-P47 VanDerWaalsContact O-N 3.16Å; P47-C49 PolarHBondContact O-N 3.25Å; P47-E143 HydrophobicContact CB-CB 3.94Å; P47-E143 WeakPolarHBondContact CB-O 3.4Å; P47-E143 HydrophobicContact CG-CB 4.05Å; P47-E143 HydrophobicContact CG-CG 4.33Å
48	K	74.2	Confident	72.4	Confident	152 Å²	152	91.4 Å²	91.4	66%	0.661	44%	0.435	S	S	*	.			trans	-85.7	87.3	169.4	-68.4	-176.5	-179.3	-179.4	0	107.7	R46 N52 S53	R46-K48 PolarHBondContact O-N 3.43Å; K48-N52 HydrophobicContact CB-CB 3.96Å; K48-N52 HydrophobicContact CG-CB 4.43Å; K48-S53 VanDerWaalsContact O-CA 3.29Å; K48-S53 WeakPolarHBondContact O-CA 3.44Å; K48-S53 WeakPolarHBondContact O-CB 3.44Å; K48-S53 PolarHBondContact O-N 3.49Å; K48-S53 PolarHBondContact O-OG 3.39Å
49	C	84.3	Confident	74.5	Confident	25 Å²	25	89.2 Å²	89.2	17%	0.169	44%	0.443	C	S	.	.			trans	-100.1	171.8	175.1	68.2	0	0	0	0	112.8	P47 N52 E143 C185	P47-C49 PolarHBondContact O-N 3.25Å; C49-N52 PolarHBondContact O-N 2.96Å; C49-N52 VanDerWaalsContact O-N 3.17Å; C49-E143 WeakPolarHBondContact CB-O 3.18Å; C49-C185 HydrophobicContact CB-CB 3.52Å; C49-C185 WeakPolarHBondContact CB-SG 3.27Å; C49-C185 WeakPolarHBondContact SG-CA 3.45Å; C49-C185 WeakPolarHBondContact SG-CB 3.44Å; C49-C185 CovalentContact SG-SG 2.04Å; C49-C185 PolarHBondContact SG-SG 3.42Å
50	G	88.8	Confident	76.5	Confident	17 Å²	17	89.9 Å²	89.9	18%	0.175	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	59.2	-137.9	-176.7	0	0	0	0	0	113.6	N52 S53	G50-N52 PolarHBondContact O-N 3.01Å; G50-S53 PolarHBondContact N-OG 3.18Å; G50-S53 PolarHBondContact O-N 3.25Å; G50-S53 VanDerWaalsContact O-N 3.11Å; G50-S53 PolarHBondContact O-OG 3.48Å
51	Y	94.6	Very high	78.7	Confident	32 Å²	32	88.8 Å²	88.8	13%	0.125	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-14	-52.9	153.7	28	-112.7	0	0	0	117.8	L189 D213 A357 K361 L1093	Y51-L189 HydrophobicContact CD1-CD1 3.95Å; Y51-L189 HydrophobicContact CD2-CD1 4.06Å; Y51-L189 HydrophobicContact CE1-CB 4.44Å; Y51-L189 HydrophobicContact CE1-CD1 3.87Å; Y51-L189 HydrophobicContact CE2-CD1 3.96Å; Y51-L189 HydrophobicContact CG-CD1 4.05Å; Y51-D213 WeakPolarHBondContact CE2-OD2 3.46Å; Y51-D213 VanDerWaalsContact OH-CB 3.23Å; Y51-D213 WeakPolarHBondContact OH-CB 3.32Å; Y51-D213 VanDerWaalsContact OH-CG 3.25Å; Y51-D213 PolarHBondContact OH-OD2 3.18Å; Y51-A357 HydrophobicContact CD1-CB 4.36Å; Y51-A357 HydrophobicContact CE1-CB 3.93Å; Y51-A357 VanDerWaalsContact CE1-O 3.23Å; Y51-A357 WeakPolarHBondContact CE1-O 3.19Å; Y51-K361 HydrophobicContact CD1-CB 3.78Å; Y51-K361 HydrophobicContact CD1-CD 4.06Å; Y51-K361 HydrophobicContact CE1-CB 4.15Å; Y51-K361 HydrophobicContact CG-CB 4.42Å; Y51-K361 HydrophobicContact CG-CD 3.93Å; Y51-K361 PolarHBondContact O-NZ 3.28Å; Y51-L1093 HydrophobicContact CD2-CD2 4.4Å; Y51-L1093 HydrophobicContact CE1-CD1 4.24Å; Y51-L1093 HydrophobicContact CE2-CD1 4.18Å; Y51-L1093 HydrophobicContact CE2-CD2 4.05Å; Y51-L1093 HydrophobicContact CE2-CG 3.99Å
52	N	92.1	Very high	80.9	Confident	118 Å²	118	83.9 Å²	83.9	63%	0.631	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-89.4	-15.2	-164.4	-63.2	-32.7	0	0	0	113.1	K48 C49 G50 C54	K48-N52 HydrophobicContact CB-CB 3.96Å; K48-N52 HydrophobicContact CG-CB 4.43Å; C49-N52 PolarHBondContact O-N 2.96Å; C49-N52 VanDerWaalsContact O-N 3.17Å; G50-N52 PolarHBondContact O-N 3.01Å; N52-C54 VanDerWaalsContact C-N 3.33Å
53	S	92	Very high	83.3	Confident	22 Å²	22	81 Å²	81	15%	0.154	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-80.3	-11.2	174.1	25.3	0	0	0	0	113.8	K48 G50	K48-S53 VanDerWaalsContact O-CA 3.29Å; K48-S53 WeakPolarHBondContact O-CA 3.44Å; K48-S53 WeakPolarHBondContact O-CB 3.44Å; K48-S53 PolarHBondContact O-N 3.49Å; K48-S53 PolarHBondContact O-OG 3.39Å; G50-S53 PolarHBondContact N-OG 3.18Å; G50-S53 PolarHBondContact O-N 3.25Å; G50-S53 VanDerWaalsContact O-N 3.11Å; G50-S53 PolarHBondContact O-OG 3.48Å
54	C	95.4	Very high	85.7	Confident	22 Å²	22	71.3 Å²	71.3	15%	0.149	38%	0.381	C	S	.	.			trans	-75.4	132.5	-166.6	-69.4	0	0	0	0	114.1	N52 L56 C358	N52-C54 VanDerWaalsContact C-N 3.33Å; C54-L56 HydrophobicContact CB-CD2 3.8Å; C54-C358 WeakPolarHBondContact CA-SG 3.41Å; C54-C358 HydrophobicContact CB-CB 3.63Å; C54-C358 WeakPolarHBondContact CB-SG 3.48Å; C54-C358 WeakPolarHBondContact SG-CA 3.38Å; C54-C358 WeakPolarHBondContact SG-CB 3.35Å; C54-C358 CovalentContact SG-SG 2.05Å; C54-C358 PolarHBondContact SG-SG 2.85Å
55	N	94.8	Very high	87.9	Confident	91 Å²	91	63.5 Å²	63.5	49%	0.487	35%	0.346	S	S	.	.			trans	-89.7	113.3	160.2	179.3	2.7	0	0	0	108	G57 L352	N55-G57 VanDerWaalsContact C-N 3.32Å; N55-G57 PolarHBondContact OD1-N 2.84Å; N55-L352 HydrophobicContact CB-CD1 4.1Å; N55-L352 VanDerWaalsContact O-CD1 3.31Å; N55-L352 WeakPolarHBondContact O-CD1 3.33Å
56	L	95.8	Very high	90.1	Very high	34 Å²	34	57.4 Å²	57.4	18%	0.178	31%	0.314	C	S	.	.			trans	-88.6	1.1	-177.5	-53.7	-178.1	0	0	0	112.9	C54 H310 K361 A362 E365	C54-L56 HydrophobicContact CB-CD2 3.8Å; L56-H310 PolarHBondContact O-CE1 3.22Å; L56-K361 HydrophobicContact CD1-CD 4.27Å; L56-K361 HydrophobicContact CD1-CG 4.1Å; L56-K361 HydrophobicContact CD2-CB 3.98Å; L56-K361 HydrophobicContact CD2-CD 4.01Å; L56-K361 HydrophobicContact CD2-CG 3.79Å; L56-A362 HydrophobicContact CB-CB 4.31Å; L56-A362 HydrophobicContact CD2-CB 4.09Å; L56-E365 VanDerWaalsContact CD1-CD 3.44Å; L56-E365 WeakPolarHBondContact CD1-OE1 3.29Å; L56-E365 VanDerWaalsContact CD1-OE2 3.29Å; L56-E365 WeakPolarHBondContact CD1-OE2 3.42Å
57	G	96.6	Very high	92.2	Very high	21 Å²	21	46.5 Å²	46.5	22%	0.216	27%	0.273	C	S	.	.			trans	89.8	-163.8	-177.7	0	0	0	0	0	113.7	N55 N63	N55-G57 VanDerWaalsContact C-N 3.32Å; N55-G57 PolarHBondContact OD1-N 2.84Å; G57-N63 VanDerWaalsContact CA-OD1 3.31Å; G57-N63 WeakPolarHBondContact CA-OD1 3.07Å
58	K	95.9	Very high	94.2	Very high	79 Å²	79	43.3 Å²	43.3	34%	0.343	25%	0.252	S	S	.	.			trans	-105.1	132.3	-174.6	-65.3	-177.3	-174.8	-177.6	0	111.1	G60 Y61 N63 N350	K58-G60 PolarHBondContact O-N 2.98Å; K58-Y61 HydrophobicContact CB-CD2 3.6Å; K58-Y61 HydrophobicContact CB-CE2 4.25Å; K58-Y61 HydrophobicContact CB-CG 3.88Å; K58-Y61 HydrophobicContact CD-CD1 4.47Å; K58-Y61 HydrophobicContact CD-CD2 4.31Å; K58-Y61 HydrophobicContact CD-CE1 4.45Å; K58-Y61 HydrophobicContact CD-CE2 4.3Å; K58-Y61 HydrophobicContact CD-CG 4.41Å; K58-Y61 PolarHBondContact O-N 2.81Å; K58-N63 PolarHBondContact N-OD1 3.44Å; K58-N63 PolarHBondContact O-ND2 3.02Å; K58-N350 HydrophobicContact CD-CB 4.31Å; K58-N350 VanDerWaalsContact CE-OD1 3.28Å; K58-N350 WeakPolarHBondContact CE-OD1 3.19Å; K58-N350 HydrophobicContact CG-CB 4.5Å
59	P	93.9	Very high	95.3	Very high	126 Å²	126	36 Å²	36	82%	0.818	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	135.2	173.6	-24.3	34	0	0	0	112.1	Y61	P59-Y61 VanDerWaalsContact C-N 3.26Å; P59-Y61 WeakPolarHBondContact O-CD2 3.37Å; P59-Y61 PolarHBondContact O-N 3.4Å
60	G	91.9	Very high	96	Very high	71 Å²	71	35 Å²	35	73%	0.732	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	-3.7	178.3	0	0	0	0	0	115.8	K58	K58-G60 PolarHBondContact O-N 2.98Å
61	Y	97.5	Very high	96.5	Very high	57 Å²	57	34.3 Å²	34.3	22%	0.224	21%	0.205	C	C	.	.	S	Bend	trans	-94.8	157.4	175.3	-75	-112.3	0	0	0	110.8	K58 P59 N63 N309 Q342 Q348 N350	K58-Y61 HydrophobicContact CB-CD2 3.6Å; K58-Y61 HydrophobicContact CB-CE2 4.25Å; K58-Y61 HydrophobicContact CB-CG 3.88Å; K58-Y61 HydrophobicContact CD-CD1 4.47Å; K58-Y61 HydrophobicContact CD-CD2 4.31Å; K58-Y61 HydrophobicContact CD-CE1 4.45Å; K58-Y61 HydrophobicContact CD-CE2 4.3Å; K58-Y61 HydrophobicContact CD-CG 4.41Å; K58-Y61 PolarHBondContact O-N 2.81Å; P59-Y61 VanDerWaalsContact C-N 3.26Å; P59-Y61 WeakPolarHBondContact O-CD2 3.37Å; P59-Y61 PolarHBondContact O-N 3.4Å; Y61-N63 PolarHBondContact O-N 2.99Å; Y61-N63 PolarHBondContact O-ND2 2.96Å; Y61-N309 PolarHBondContact O-ND2 3.14Å; Y61-Q342 HydrophobicContact CE1-CG 3.97Å; Y61-Q348 WeakPolarHBondContact CA-O 3.4Å; Y61-N350 HydrophobicContact CD1-CB 3.95Å; Y61-N350 HydrophobicContact CG-CB 4.21Å
62	L	98.1	Very high	96.6	Very high	41 Å²	41	33 Å²	33	22%	0.215	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	104.5	157.9	-177.3	65.4	0	0	0	108.1	I64 V299 N309 I311 Q348 V349 N350	L62-I64 HydrophobicContact CD1-CD1 4.48Å; L62-I64 HydrophobicContact CD2-CD1 4.09Å; L62-I64 HydrophobicContact CG-CD1 3.82Å; L62-V299 HydrophobicContact CD2-CG1 3.74Å; L62-N309 CarbonylContact C-O 3.51Å; L62-I311 HydrophobicContact CD1-CG1 3.84Å; L62-Q348 PolarHBondContact N-O 3.11Å; L62-V349 HydrophobicContact CD2-CG2 4.34Å; L62-V349 WeakPolarHBondContact O-CA 3.46Å; L62-N350 PolarHBondContact O-N 2.89Å
63	N	98.7	Very high	96.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119	-178.2	-68.5	-65	0	0	0	110.4	G57 K58 Y61 N309 H310 I311 N350 L352	G57-N63 VanDerWaalsContact CA-OD1 3.31Å; G57-N63 WeakPolarHBondContact CA-OD1 3.07Å; K58-N63 PolarHBondContact N-OD1 3.44Å; K58-N63 PolarHBondContact O-ND2 3.02Å; Y61-N63 PolarHBondContact O-N 2.99Å; Y61-N63 PolarHBondContact O-ND2 2.96Å; N63-N309 PolarHBondContact N-O 2.65Å; N63-H310 WeakPolarHBondContact CB-ND1 3.35Å; N63-H310 PolarHBondContact ND2-CE1 2.95Å; N63-H310 VanDerWaalsContact ND2-CE1 3.31Å; N63-H310 CarbonylContact O-C 3.6Å; N63-H310 WeakPolarHBondContact O-CA 3.17Å; N63-I311 PolarHBondContact O-N 3.02Å; N63-N350 CarbonylContact C-O 3.55Å; N63-N350 WeakPolarHBondContact CA-O 3.44Å; N63-N350 PolarHBondContact OD1-ND2 3.19Å; N63-L352 HydrophobicContact CB-CD2 4.36Å
64	I	98.7	Very high	97.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	113.6	179.6	-50.7	-56.6	0	0	0	108.3	L62 L66 F295 V299 I311 I313 V349 N350 L351 L352	L62-I64 HydrophobicContact CD1-CD1 4.48Å; L62-I64 HydrophobicContact CD2-CD1 4.09Å; L62-I64 HydrophobicContact CG-CD1 3.82Å; I64-L66 HydrophobicContact CG2-CD2 4.46Å; I64-F295 HydrophobicContact CG2-CZ 4.34Å; I64-V299 HydrophobicContact CD1-CG1 3.49Å; I64-V299 VanDerWaalsContact CD1-CG1 3.49Å; I64-V299 HydrophobicContact CD1-CG2 4.22Å; I64-V299 HydrophobicContact CG1-CG1 4.03Å; I64-V299 HydrophobicContact CG1-CG2 4.2Å; I64-V299 HydrophobicContact CG2-CG2 4.41Å; I64-I311 CarbonylContact C-O 3.49Å; I64-I311 WeakPolarHBondContact CA-O 3.17Å; I64-I311 HydrophobicContact CD1-CB 3.74Å; I64-I311 HydrophobicContact CD1-CG1 4Å; I64-I311 HydrophobicContact CD1-CG2 4.5Å; I64-I313 HydrophobicContact CG2-CB 4.33Å; I64-I313 HydrophobicContact CG2-CD1 3.51Å; I64-I313 HydrophobicContact CG2-CG1 3.87Å; I64-V349 HydrophobicContact CG1-CG1 3.72Å; I64-N350 PolarHBondContact N-O 3.04Å; I64-L351 HydrophobicContact CB-CD1 3.42Å; I64-L351 VanDerWaalsContact CB-CD1 3.42Å; I64-L351 HydrophobicContact CG1-CD1 4.41Å; I64-L351 HydrophobicContact CG2-CD1 3.29Å; I64-L352 WeakPolarHBondContact O-CD2 3.39Å; I64-L352 PolarHBondContact O-N 3.08Å
65	H	98.7	Very high	97.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	99.6	-178.1	-70.4	-104.6	0	0	0	109	V67 H310 I311 I313 S354 Y359	H65-V67 PolarHBondContact O-N 3.25Å; H65-H310 AromaticContact CD2-ND1 3.88Å; H65-H310 AromaticContact CE1-ND1 3.95Å; H65-H310 AromaticContact NE2-CE1 3.98Å; H65-H310 AromaticContact NE2-CG 3.83Å; H65-H310 AromaticContact NE2-ND1 2.96Å; H65-H310 PolarHBondContact NE2-ND1 3.49Å; H65-I311 PolarHBondContact N-O 3.31Å; H65-I313 PolarHBondContact O-N 3.02Å; H65-S354 WeakPolarHBondContact ND1-CB 3.37Å; H65-S354 PolarHBondContact ND1-OG 3.1Å; H65-Y359 HydrophobicContact CB-CD2 3.91Å; H65-Y359 AromaticContact CD2-CD2 3.78Å; H65-Y359 AromaticContact CG-CD2 3.75Å
66	L	98.6	Very high	97.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	126.3	170.9	-63.1	-172.2	0	0	0	109.3	I64 P68 F295 I313 M315 M331 I335 L351 L352 S354	I64-L66 HydrophobicContact CG2-CD2 4.46Å; L66-P68 WeakPolarHBondContact O-CD 3.4Å; L66-F295 HydrophobicContact CD2-CZ 4.05Å; L66-I313 CarbonylContact C-O 3.58Å; L66-I313 WeakPolarHBondContact CA-O 3.25Å; L66-I313 HydrophobicContact CD2-CB 3.91Å; L66-I313 HydrophobicContact CD2-CG2 3.94Å; L66-M315 HydrophobicContact CB-CG 4.13Å; L66-M315 HydrophobicContact CD2-CG 3.96Å; L66-M315 HydrophobicContact CD2-SD 4.2Å; L66-M315 HydrophobicContact CG-CG 4.43Å; L66-M331 HydrophobicContact CB-SD 4.2Å; L66-M331 HydrophobicContact CD1-CG 3.56Å; L66-M331 HydrophobicContact CD1-SD 3.84Å; L66-I335 HydrophobicContact CD1-CD1 4.09Å; L66-I335 HydrophobicContact CD1-CG1 3.89Å; L66-L351 HydrophobicContact CD1-CD1 3.98Å; L66-L351 HydrophobicContact CD1-CD2 4.01Å; L66-L351 HydrophobicContact CD1-CG 3.92Å; L66-L351 HydrophobicContact CD2-CD1 3.67Å; L66-L351 HydrophobicContact CG-CD1 3.57Å; L66-L351 HydrophobicContact CG-CD2 4.5Å; L66-L351 HydrophobicContact CG-CG 4.02Å; L66-L352 PolarHBondContact N-O 3.48Å; L66-S354 CarbonylContact O-C 3.51Å; L66-S354 WeakPolarHBondContact O-CA 3.41Å; L66-S354 PolarHBondContact O-N 2.99Å
67	V	98.5	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	93.5	179.8	176.7	0	0	0	0	110.2	H65 H69 W192 M312 I313 L314 M315 P356	H65-V67 PolarHBondContact O-N 3.25Å; V67-H69 PolarHBondContact O-N 3.48Å; V67-H69 PolarHBondContact O-ND1 2.84Å; V67-W192 HydrophobicContact CG1-CH2 4.38Å; V67-M312 HydrophobicContact CB-CG 4.42Å; V67-M312 HydrophobicContact CG2-CE 4.47Å; V67-M312 HydrophobicContact CG2-CG 3.68Å; V67-M312 HydrophobicContact CG2-SD 3.97Å; V67-I313 PolarHBondContact N-O 2.98Å; V67-L314 HydrophobicContact CB-CD2 4.25Å; V67-L314 HydrophobicContact CG1-CD2 4.39Å; V67-M315 PolarHBondContact O-N 3.23Å; V67-P356 HydrophobicContact CG1-CG 3.89Å
68	P	98.7	Very high	97.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	125.7	169.4	-23.8	38.6	0	0	0	110.3	L66 R114 F115 T116 M315 Y321 Y328 M331 Y353	L66-P68 WeakPolarHBondContact O-CD 3.4Å; P68-R114 VanDerWaalsContact CB-O 3.27Å; P68-R114 WeakPolarHBondContact CB-O 3.09Å; P68-R114 VanDerWaalsContact CG-O 3.22Å; P68-R114 WeakPolarHBondContact CG-O 3.42Å; P68-F115 HydrophobicContact CB-CD2 3.8Å; P68-F115 HydrophobicContact CB-CE2 4.34Å; P68-T116 PolarHBondContact O-N 3.48Å; P68-M315 WeakPolarHBondContact CA-O 3.48Å; P68-Y321 HydrophobicContact CB-CE1 4.33Å; P68-Y321 WeakPolarHBondContact CB-OH 3.45Å; P68-Y328 HydrophobicContact CG-CE1 4.34Å; P68-M331 HydrophobicContact CB-CE 4.31Å; P68-M331 HydrophobicContact CG-CE 3.7Å; P68-M331 HydrophobicContact CG-SD 3.86Å; P68-Y353 HydrophobicContact CG-CD1 4.01Å; P68-Y353 HydrophobicContact CG-CE1 4.12Å
69	H	98.6	Very high	97.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-156	170	177.4	75.2	-71.3	0	0	0	110.3	V67 T116 Y260 G316 T320 Y321	V67-H69 PolarHBondContact O-N 3.48Å; V67-H69 PolarHBondContact O-ND1 2.84Å; H69-T116 WeakPolarHBondContact CA-O 3.26Å; H69-Y260 PolarHBondContact CE1-O 2.78Å; H69-Y260 VanDerWaalsContact CE1-O 3.25Å; H69-Y260 PolarHBondContact NE2-O 3.27Å; H69-G316 WeakPolarHBondContact O-CA 3.3Å; H69-T320 PolarHBondContact O-OG1 2.65Å; H69-Y321 WeakPolarHBondContact O-CD2 3.41Å; H69-Y321 VanDerWaalsContact O-CE2 3.22Å; H69-Y321 WeakPolarHBondContact O-CE2 3.42Å
70	T	98.4	Very high	98.1	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.018	7%	0.074	C	C	.	.			trans	-130	149	165.7	-173.5	0	0	0	0	108.6	D72 I99 F115 Y117 T320	T70-D72 VanDerWaalsContact CG2-OD1 3.29Å; T70-D72 WeakPolarHBondContact CG2-OD1 3.46Å; T70-D72 WeakPolarHBondContact CG2-OD2 3.29Å; T70-D72 PolarHBondContact OG1-OD1 3.44Å; T70-I99 HydrophobicContact CG2-CG2 4.03Å; T70-F115 HydrophobicContact CG2-CE1 4.19Å; T70-F115 HydrophobicContact CG2-CZ 4.01Å; T70-Y117 HydrophobicContact CG2-CD2 4.24Å; T70-Y117 HydrophobicContact CG2-CE2 3.91Å; T70-T320 PolarHBondContact OG1-N 2.86Å; T70-T320 PolarHBondContact OG1-O 2.71Å
71	H	98.1	Very high	98.4	Very high	3 Å²	3	10.4 Å²	10.4	1%	0.014	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-107	119.9	167.6	-175.6	33.1	0	0	0	108.3	D73 I194 D195 C317 D318 F319 H454	H71-D73 IonicContact CD2-OD1 3.52Å; H71-D73 IonicContact CE1-OD1 2.65Å; H71-D73 PolarHBondContact CE1-OD1 3.14Å; H71-D73 IonicContact NE2-OD1 2.75Å; H71-D73 PolarHBondContact NE2-OD1 2.89Å; H71-I194 HydrophobicContact CB-CD1 4.14Å; H71-D195 IonicContact CD2-OD2 3.12Å; H71-D195 VanDerWaalsContact NE2-CB 3.28Å; H71-D195 WeakPolarHBondContact NE2-CB 3.12Å; H71-D195 IonicContact NE2-OD2 3.82Å; H71-C317 PolarHBondContact N-O 3.34Å; H71-D318 IonicContact CD2-OD1 3.74Å; H71-D318 PolarHBondContact CD2-OD1 3.15Å; H71-D318 CarbonylContact O-C 3.59Å; H71-D318 WeakPolarHBondContact O-CA 3.36Å; H71-F319 PolarHBondContact O-N 3.01Å; H71-H454 AromaticContact CE1-CE1 3.64Å; H71-H454 AromaticContact NE2-CE1 3.51Å
72	D	98.3	Very high	98.4	Very high	5 Å²	5	9.7 Å²	9.7	3%	0.027	5%	0.049	C	C	.	.			trans	-122.7	86.1	-171.2	-59.2	-27.9	0	0	0	109.8	T70 V74 V96 Y117 F122 F319	T70-D72 VanDerWaalsContact CG2-OD1 3.29Å; T70-D72 WeakPolarHBondContact CG2-OD1 3.46Å; T70-D72 WeakPolarHBondContact CG2-OD2 3.29Å; T70-D72 PolarHBondContact OG1-OD1 3.44Å; D72-V74 PolarHBondContact O-N 3.33Å; D72-V96 HydrophobicContact CB-CG1 4.49Å; D72-V96 HydrophobicContact CB-CG2 4.07Å; D72-V96 WeakPolarHBondContact OD2-CG1 3.03Å; D72-Y117 WeakPolarHBondContact OD2-CE2 3.37Å; D72-Y117 PolarHBondContact OD2-OH 3.41Å; D72-F122 HydrophobicContact CB-CD2 3.75Å; D72-F122 HydrophobicContact CB-CE2 4.02Å; D72-F122 WeakPolarHBondContact O-CE2 3.37Å; D72-F319 HydrophobicContact CB-CD1 4.46Å; D72-F319 HydrophobicContact CB-CE1 4.18Å
73	D	98.5	Very high	98.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.			trans	-55.5	129.8	180	-57.2	-51	0	0	0	111.7	H71 G75 W76 Y83 F122 F319 H453 H454	H71-D73 IonicContact CD2-OD1 3.52Å; H71-D73 IonicContact CE1-OD1 2.65Å; H71-D73 PolarHBondContact CE1-OD1 3.14Å; H71-D73 IonicContact NE2-OD1 2.75Å; H71-D73 PolarHBondContact NE2-OD1 2.89Å; D73-G75 PolarHBondContact O-N 2.92Å; D73-W76 HydrophobicContact CB-CB 4Å; D73-Y83 WeakPolarHBondContact O-CD2 3.42Å; D73-F122 WeakPolarHBondContact O-CE2 3.35Å; D73-F319 HydrophobicContact CB-CE2 4.41Å; D73-F319 HydrophobicContact CB-CZ 3.93Å; D73-F319 VanDerWaalsContact N-CZ 3.31Å; D73-H453 IonicContact OD1-CE1 3.51Å; D73-H453 PolarHBondContact OD1-CE1 3.38Å; D73-H453 VanDerWaalsContact OD1-CE1 3.25Å; D73-H453 IonicContact OD1-NE2 2.95Å; D73-H454 IonicContact OD1-CE1 2.71Å; D73-H454 PolarHBondContact OD1-CE1 3.24Å; D73-H454 IonicContact OD1-NE2 3.25Å
74	V	97.9	Very high	98.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	-81.6	44.5	177.5	-61	0	0	0	0	111.8	D72 V80 T121 F122 V450 H453 Y469	D72-V74 PolarHBondContact O-N 3.33Å; V74-V80 WeakPolarHBondContact O-CG2 3.24Å; V74-T121 HydrophobicContact CB-CG2 4.33Å; V74-T121 HydrophobicContact CG1-CG2 3.82Å; V74-F122 HydrophobicContact CB-CE2 4.46Å; V74-F122 HydrophobicContact CG1-CD2 4.14Å; V74-F122 HydrophobicContact CG1-CE2 3.84Å; V74-F122 HydrophobicContact CG1-CZ 4.34Å; V74-V450 HydrophobicContact CB-CG1 4.39Å; V74-V450 HydrophobicContact CG2-CG1 4.17Å; V74-H453 HydrophobicContact CG2-CB 3.4Å; V74-H453 VanDerWaalsContact CG2-CG 3.43Å; V74-Y469 WeakPolarHBondContact O-CE1 3.34Å; V74-Y469 PolarHBondContact O-OH 3.03Å
75	G	98.3	Very high	98.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	111.7	127.3	-176.4	0	0	0	0	0	112.1	D73 K78 Y469	D73-G75 PolarHBondContact O-N 2.92Å; G75-K78 VanDerWaalsContact CA-O 3.3Å; G75-K78 WeakPolarHBondContact CA-O 3.44Å; G75-Y469 WeakPolarHBondContact CA-OH 3.42Å; G75-Y469 PolarHBondContact O-OH 2.92Å
76	W	98.2	Very high	98.4	Very high	26 Å²	26	14.9 Å²	14.9	10%	0.098	7%	0.071	C	C	.	.	S	Bend	trans	-162.7	-79.4	-178.9	171	45.5	0	0	0	110.4	D73 K78 Y83 D455 K462 V465 Y751	D73-W76 HydrophobicContact CB-CB 4Å; W76-K78 PolarHBondContact N-O 3.39Å; W76-K78 VanDerWaalsContact N-O 3.14Å; W76-Y83 HydrophobicContact CB-CE2 4.39Å; W76-D455 HydrophobicContact CB-CB 4.2Å; W76-D455 VanDerWaalsContact CD1-CG 3.5Å; W76-D455 HydrophobicContact CG-CB 4.4Å; W76-K462 PolarHBondContact O-N 2.72Å; W76-V465 WeakPolarHBondContact O-CG2 3.38Å; W76-Y751 PolarHBondContact NE1-OH 3Å
77	L	98.4	Very high	98.3	Very high	16 Å²	16	17 Å²	17	8%	0.084	9%	0.089	C	C	.	.	S	Bend	trans	-88.1	-27	170.8	-50.8	-177.9	0	0	0	112.1	Y83 I91 K462 H464	L77-Y83 WeakPolarHBondContact CB-OH 3.42Å; L77-Y83 PolarHBondContact N-OH 3.43Å; L77-Y83 VanDerWaalsContact N-OH 3.15Å; L77-I91 HydrophobicContact CB-CG2 3.69Å; L77-K462 HydrophobicContact CD2-CG 4.35Å; L77-H464 PolarHBondContact O-CE1 2.64Å; L77-H464 PolarHBondContact O-NE2 2.82Å
78	K	98.3	Very high	98.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-122.6	159.4	176.9	-64.6	164.5	53.1	169.9	0	108.9	G75 W76 Q82 Y83 A87 N89 I91 Q92 A94 V465	G75-K78 VanDerWaalsContact CA-O 3.3Å; G75-K78 WeakPolarHBondContact CA-O 3.44Å; W76-K78 PolarHBondContact N-O 3.39Å; W76-K78 VanDerWaalsContact N-O 3.14Å; K78-Q82 HydrophobicContact CB-CB 3.87Å; K78-Q82 WeakPolarHBondContact CE-O 3.42Å; K78-Q82 PolarHBondContact NZ-O 3.42Å; K78-Y83 HydrophobicContact CB-CD1 4.06Å; K78-Y83 HydrophobicContact CB-CD2 3.79Å; K78-Y83 HydrophobicContact CB-CE1 3.89Å; K78-Y83 HydrophobicContact CB-CE2 3.63Å; K78-Y83 HydrophobicContact CB-CG 4Å; K78-Y83 HydrophobicContact CD-CD1 3.91Å; K78-Y83 HydrophobicContact CD-CE1 3.67Å; K78-Y83 HydrophobicContact CG-CE1 4.12Å; K78-Y83 PolarHBondContact N-OH 3.17Å; K78-Y83 WeakPolarHBondContact O-CD2 3.39Å; K78-Y83 WeakPolarHBondContact O-CE2 3.36Å; K78-A87 WeakPolarHBondContact CE-O 3.46Å; K78-A87 PolarHBondContact NZ-O 3.43Å; K78-N89 PolarHBondContact NZ-OD1 3.29Å; K78-I91 HydrophobicContact CD-CB 4.48Å; K78-I91 HydrophobicContact CG-CB 4.07Å; K78-I91 HydrophobicContact CG-CD1 4.37Å; K78-I91 HydrophobicContact CG-CG2 3.95Å; K78-Q92 HydrophobicContact CD-CB 4.17Å; K78-Q92 WeakPolarHBondContact CD-O 2.98Å; K78-Q92 PolarHBondContact NZ-O 3.23Å; K78-Q92 VanDerWaalsContact NZ-O 3.13Å; K78-A94 PolarHBondContact NZ-O 3.08Å; K78-V465 VanDerWaalsContact C-CG2 3.48Å; K78-V465 WeakPolarHBondContact O-CG2 3.4Å
79	T	98.6	Very high	97.9	Very high	16 Å²	16	24.2 Å²	24.2	10%	0.098	13%	0.127	C	C	.	.			trans	-69.8	163.4	173.4	71	0	0	0	0	111.3	D81 Q82 Y83 V465 D468	T79-D81 VanDerWaalsContact C-N 3.29Å; T79-D81 PolarHBondContact O-N 3.02Å; T79-Q82 PolarHBondContact O-N 2.99Å; T79-Q82 VanDerWaalsContact O-N 3.09Å; T79-Q82 VanDerWaalsContact OG1-CG 3.27Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.46Å; T79-Q82 PolarHBondContact OG1-N 3.24Å; T79-Y83 PolarHBondContact O-N 2.96Å; T79-V465 HydrophobicContact CG2-CG2 4.47Å; T79-D468 HydrophobicContact CG2-CB 3.64Å
80	V	98.5	Very high	97.7	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.03	17%	0.167	C	C	.	.	H	α-helix	trans	-49.2	-51.2	177.6	-177.6	0	0	0	0	111.1	V74 Q82 Y83 Y84 T121 F122 V450 Y469	V74-V80 WeakPolarHBondContact O-CG2 3.24Å; V80-Q82 PolarHBondContact O-N 3.19Å; V80-Y83 PolarHBondContact O-N 3.14Å; V80-Y84 PolarHBondContact O-N 3.07Å; V80-T121 HydrophobicContact CG1-CG2 4.21Å; V80-F122 HydrophobicContact CG1-CE1 3.8Å; V80-F122 HydrophobicContact CG1-CZ 4.25Å; V80-F122 VanDerWaalsContact O-CE1 3.29Å; V80-F122 WeakPolarHBondContact O-CE1 3.15Å; V80-V450 HydrophobicContact CG2-CG1 3.84Å; V80-Y469 HydrophobicContact CG2-CE1 4.27Å
81	D	98.4	Very high	97.6	Very high	45 Å²	45	33.1 Å²	33.1	24%	0.241	18%	0.179	C	C	.	.	H	α-helix	trans	-71.2	-31.5	-176.5	-70.4	-52.7	0	0	0	112.6	T79 Y84 Y85 K125 R472	T79-D81 VanDerWaalsContact C-N 3.29Å; T79-D81 PolarHBondContact O-N 3.02Å; D81-Y84 PolarHBondContact O-N 2.83Å; D81-Y85 HydrophobicContact CB-CD2 4.42Å; D81-Y85 VanDerWaalsContact O-CD2 3.26Å; D81-Y85 WeakPolarHBondContact O-CD2 3.34Å; D81-Y85 PolarHBondContact O-N 3.08Å; D81-K125 WeakPolarHBondContact OD1-CE 3.38Å; D81-K125 IonicContact OD1-NZ 3.42Å; D81-K125 PolarHBondContact OD1-NZ 2.78Å; D81-R472 IonicContact OD2-CZ 3.8Å; D81-R472 IonicContact OD2-NH1 2.99Å; D81-R472 PolarHBondContact OD2-NH1 3.07Å; D81-R472 IonicContact OD2-NH2 3.72Å; D81-R472 PolarHBondContact OD2-NH2 3.42Å
82	Q	98.6	Very high	97.4	Very high	43 Å²	43	34.7 Å²	34.7	20%	0.201	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-41.2	175.7	-75.1	171.9	-7.8	0	0	111.9	K78 T79 V80 G86 A87	K78-Q82 HydrophobicContact CB-CB 3.87Å; K78-Q82 WeakPolarHBondContact CE-O 3.42Å; K78-Q82 PolarHBondContact NZ-O 3.42Å; T79-Q82 PolarHBondContact O-N 2.99Å; T79-Q82 VanDerWaalsContact O-N 3.09Å; T79-Q82 VanDerWaalsContact OG1-CG 3.27Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.46Å; T79-Q82 PolarHBondContact OG1-N 3.24Å; V80-Q82 PolarHBondContact O-N 3.19Å; Q82-G86 PolarHBondContact O-N 2.92Å; Q82-G86 VanDerWaalsContact O-N 3.07Å; Q82-A87 HydrophobicContact CB-CB 4.43Å; Q82-A87 HydrophobicContact CG-CB 4.28Å; Q82-A87 PolarHBondContact O-N 3.32Å
83	Y	98.6	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-41.5	172.7	-82	-55.2	0	0	0	112.2	D73 W76 L77 K78 T79 V80 Q92 A94 G95 V96 F319	D73-Y83 WeakPolarHBondContact O-CD2 3.42Å; W76-Y83 HydrophobicContact CB-CE2 4.39Å; L77-Y83 WeakPolarHBondContact CB-OH 3.42Å; L77-Y83 PolarHBondContact N-OH 3.43Å; L77-Y83 VanDerWaalsContact N-OH 3.15Å; K78-Y83 HydrophobicContact CB-CD1 4.06Å; K78-Y83 HydrophobicContact CB-CD2 3.79Å; K78-Y83 HydrophobicContact CB-CE1 3.89Å; K78-Y83 HydrophobicContact CB-CE2 3.63Å; K78-Y83 HydrophobicContact CB-CG 4Å; K78-Y83 HydrophobicContact CD-CD1 3.91Å; K78-Y83 HydrophobicContact CD-CE1 3.67Å; K78-Y83 HydrophobicContact CG-CE1 4.12Å; K78-Y83 PolarHBondContact N-OH 3.17Å; K78-Y83 WeakPolarHBondContact O-CD2 3.39Å; K78-Y83 WeakPolarHBondContact O-CE2 3.36Å; T79-Y83 PolarHBondContact O-N 2.96Å; V80-Y83 PolarHBondContact O-N 3.14Å; Y83-Q92 VanDerWaalsContact CE1-OE1 3.26Å; Y83-Q92 PolarHBondContact OH-OE1 3.1Å; Y83-A94 HydrophobicContact CD1-CB 3.68Å; Y83-A94 HydrophobicContact CE1-CB 3.88Å; Y83-G95 VanDerWaalsContact O-CA 3.28Å; Y83-G95 WeakPolarHBondContact O-CA 3.08Å; Y83-V96 PolarHBondContact O-N 3.37Å; Y83-F319 HydrophobicContact CD1-CD1 4.02Å; Y83-F319 HydrophobicContact CD1-CD2 4.43Å; Y83-F319 AromaticContact CD1-CE1 3.34Å; Y83-F319 HydrophobicContact CD1-CE1 3.34Å; Y83-F319 AromaticContact CD1-CE2 3.85Å; Y83-F319 HydrophobicContact CD1-CE2 3.85Å; Y83-F319 AromaticContact CD1-CZ 3.25Å; Y83-F319 HydrophobicContact CD1-CZ 3.25Å; Y83-F319 HydrophobicContact CD2-CE1 4.45Å; Y83-F319 HydrophobicContact CD2-CZ 4.04Å; Y83-F319 HydrophobicContact CE1-CD1 4.43Å; Y83-F319 HydrophobicContact CE1-CD2 4.03Å; Y83-F319 AromaticContact CE1-CE1 3.78Å; Y83-F319 HydrophobicContact CE1-CE1 3.78Å; Y83-F319 AromaticContact CE1-CE2 3.34Å; Y83-F319 HydrophobicContact CE1-CE2 3.34Å; Y83-F319 AromaticContact CE1-CZ 3.18Å; Y83-F319 HydrophobicContact CE1-CZ 3.18Å; Y83-F319 AromaticContact CE2-CZ 3.98Å; Y83-F319 HydrophobicContact CE2-CZ 3.98Å; Y83-F319 AromaticContact CG-CE1 3.74Å; Y83-F319 HydrophobicContact CG-CE1 3.74Å; Y83-F319 AromaticContact CG-CZ 3.71Å; Y83-F319 HydrophobicContact CG-CZ 3.71Å; Y83-F319 AromaticContact CZ-CE2 3.76Å; Y83-F319 AromaticContact CZ-CZ 3.57Å
84	Y	98.5	Very high	97.1	Very high	15 Å²	15	39.5 Å²	39.5	6%	0.059	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-50.6	179	179.4	-105.4	0	0	0	112.8	V80 D81 V96 Q97 F122 K125 W126	V80-Y84 PolarHBondContact O-N 3.07Å; D81-Y84 PolarHBondContact O-N 2.83Å; Y84-V96 PolarHBondContact O-N 2.9Å; Y84-Q97 HydrophobicContact CD2-CB 4.43Å; Y84-Q97 HydrophobicContact CE1-CB 4.42Å; Y84-Q97 HydrophobicContact CE2-CB 3.94Å; Y84-Q97 WeakPolarHBondContact O-CG 3.29Å; Y84-Q97 PolarHBondContact O-N 3.33Å; Y84-F122 AromaticContact CD2-CD1 3.95Å; Y84-F122 HydrophobicContact CD2-CD1 3.95Å; Y84-F122 HydrophobicContact CG-CD1 4.41Å; Y84-K125 HydrophobicContact CD1-CD 3.6Å; Y84-K125 HydrophobicContact CD1-CG 4.19Å; Y84-K125 HydrophobicContact CD2-CB 4.25Å; Y84-K125 HydrophobicContact CD2-CD 3.68Å; Y84-K125 HydrophobicContact CD2-CG 4.08Å; Y84-K125 HydrophobicContact CE1-CD 3.87Å; Y84-K125 VanDerWaalsContact CE1-CE 3.49Å; Y84-K125 HydrophobicContact CE1-CG 3.94Å; Y84-K125 HydrophobicContact CE2-CB 3.96Å; Y84-K125 HydrophobicContact CE2-CD 3.97Å; Y84-K125 HydrophobicContact CE2-CG 3.84Å; Y84-K125 HydrophobicContact CG-CD 3.46Å; Y84-K125 VanDerWaalsContact CG-CD 3.46Å; Y84-K125 VanDerWaalsContact CG-CE 3.44Å; Y84-K125 HydrophobicContact CG-CG 4.24Å; Y84-W126 HydrophobicContact CE2-CB 4.12Å; Y84-W126 WeakPolarHBondContact OH-CA 3.47Å
85	Y	98.2	Very high	97.1	Very high	121 Å²	121	39.5 Å²	39.5	48%	0.475	20%	0.204	S	C	.	.	H	α-helix	trans	-84	-13.3	-173.5	-71.5	-64.1	0	0	0	114.5	D81 Q97 Y98	D81-Y85 HydrophobicContact CB-CD2 4.42Å; D81-Y85 VanDerWaalsContact O-CD2 3.26Å; D81-Y85 WeakPolarHBondContact O-CD2 3.34Å; D81-Y85 PolarHBondContact O-N 3.08Å; Y85-Q97 PolarHBondContact O-NE2 3.39Å; Y85-Y98 PolarHBondContact O-OH 3.4Å
86	G	97.1	Very high	97.1	Very high	15 Å²	15	39.5 Å²	39.5	16%	0.155	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	31.1	-171.9	0	0	0	0	0	113.5	Q82 N89 A94	Q82-G86 PolarHBondContact O-N 2.92Å; Q82-G86 VanDerWaalsContact O-N 3.07Å; G86-N89 PolarHBondContact O-ND2 3.46Å; G86-N89 PolarHBondContact O-OD1 3.48Å; G86-A94 WeakPolarHBondContact CA-O 3.28Å
87	A	97.7	Very high	97.1	Very high	44 Å²	44	40 Å²	40	36%	0.364	21%	0.208	S	C	.	.			trans	-86.5	159.3	178.6	0	0	0	0	0	111.5	K78 Q82 N89	K78-A87 WeakPolarHBondContact CE-O 3.46Å; K78-A87 PolarHBondContact NZ-O 3.43Å; Q82-A87 HydrophobicContact CB-CB 4.43Å; Q82-A87 HydrophobicContact CG-CB 4.28Å; Q82-A87 PolarHBondContact O-N 3.32Å; A87-N89 PolarHBondContact O-N 3.06Å
88	N	94.9	Very high	97	Very high	69 Å²	69	44.2 Å²	44.2	37%	0.369	22%	0.224	S	C	.	.			trans	56.7	44.8	176.1	-154.6	7.6	0	0	0	114.5	T90 I91	N88-T90 PolarHBondContact O-N 2.92Å; N88-T90 PolarHBondContact OD1-OG1 3.1Å; N88-T90 VanDerWaalsContact OD1-OG1 3.1Å; N88-I91 WeakPolarHBondContact ND2-CD1 3.28Å; N88-I91 PolarHBondContact O-N 2.85Å
89	N	93.8	Very high	97.1	Very high	83 Å²	83	44.3 Å²	44.3	44%	0.444	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-5.1	-176.9	-67.4	-31.5	0	0	0	114.5	K78 G86 A87 I91 Q92	K78-N89 PolarHBondContact NZ-OD1 3.29Å; G86-N89 PolarHBondContact O-ND2 3.46Å; G86-N89 PolarHBondContact O-OD1 3.48Å; A87-N89 PolarHBondContact O-N 3.06Å; N89-I91 PolarHBondContact O-N 3.44Å; N89-Q92 PolarHBondContact OD1-O 3.03Å
90	T	95.1	Very high	97.1	Very high	136 Å²	136	43.8 Å²	43.8	83%	0.834	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.5	167.7	54.1	0	0	0	0	112.7	N88	N88-T90 PolarHBondContact O-N 2.92Å; N88-T90 PolarHBondContact OD1-OG1 3.1Å; N88-T90 VanDerWaalsContact OD1-OG1 3.1Å
91	I	95.2	Very high	97.1	Very high	53 Å²	53	46.2 Å²	46.2	27%	0.272	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-55.6	170.6	-61.6	-178.1	0	0	0	110	L77 K78 N88 N89	L77-I91 HydrophobicContact CB-CG2 3.69Å; K78-I91 HydrophobicContact CD-CB 4.48Å; K78-I91 HydrophobicContact CG-CB 4.07Å; K78-I91 HydrophobicContact CG-CD1 4.37Å; K78-I91 HydrophobicContact CG-CG2 3.95Å; N88-I91 WeakPolarHBondContact ND2-CD1 3.28Å; N88-I91 PolarHBondContact O-N 2.85Å; N89-I91 PolarHBondContact O-N 3.44Å
92	Q	94.4	Very high	97.1	Very high	37 Å²	37	47.2 Å²	47.2	17%	0.173	24%	0.238	C	C	.	.			trans	-161.5	131.8	-179.6	-172.7	-176.3	23	0	0	108.8	K78 Y83 N89 A94	K78-Q92 HydrophobicContact CD-CB 4.17Å; K78-Q92 WeakPolarHBondContact CD-O 2.98Å; K78-Q92 PolarHBondContact NZ-O 3.23Å; K78-Q92 VanDerWaalsContact NZ-O 3.13Å; Y83-Q92 VanDerWaalsContact CE1-OE1 3.26Å; Y83-Q92 PolarHBondContact OH-OE1 3.1Å; N89-Q92 PolarHBondContact OD1-O 3.03Å; Q92-A94 HydrophobicContact CG-CB 4.46Å; Q92-A94 PolarHBondContact O-N 3.49Å
93	R	94.2	Very high	97.1	Very high	105 Å²	105	45.3 Å²	45.3	40%	0.396	23%	0.23	S	C	.	.			trans	-69.8	109.6	169.2	-179	-176.7	172.1	-176.5	0.4	108.8	D270 E322	R93-D270 IonicContact CZ-OD2 3.63Å; R93-D270 IonicContact NH1-OD2 3.45Å; R93-D270 PolarHBondContact NH1-OD2 2.84Å; R93-D270 IonicContact NH2-OD2 2.72Å; R93-D270 PolarHBondContact NH2-OD2 3.32Å; R93-E322 IonicContact CZ-OE2 2.81Å; R93-E322 IonicContact NE-OE2 3.4Å; R93-E322 PolarHBondContact NE-OE2 3.48Å; R93-E322 IonicContact NH2-OE2 3.95Å; R93-E322 PolarHBondContact NH2-OE2 2.74Å
94	A	96.1	Very high	97.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.			trans	-165.3	115	-178.8	0	0	0	0	0	110.7	K78 Y83 G86 Q92 F319 E322	K78-A94 PolarHBondContact NZ-O 3.08Å; Y83-A94 HydrophobicContact CD1-CB 3.68Å; Y83-A94 HydrophobicContact CE1-CB 3.88Å; G86-A94 WeakPolarHBondContact CA-O 3.28Å; Q92-A94 HydrophobicContact CG-CB 4.46Å; Q92-A94 PolarHBondContact O-N 3.49Å; A94-F319 HydrophobicContact CB-CB 3.6Å; A94-F319 HydrophobicContact CB-CD1 3.71Å; A94-F319 HydrophobicContact CB-CD2 3.87Å; A94-F319 HydrophobicContact CB-CE1 4.36Å; A94-F319 HydrophobicContact CB-CG 3.42Å; A94-F319 VanDerWaalsContact CB-CG 3.42Å; A94-E322 VanDerWaalsContact C-OE1 3.31Å; A94-E322 WeakPolarHBondContact CA-OE1 3.36Å; A94-E322 PolarHBondContact N-OE1 2.95Å
95	G	97.4	Very high	97.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.			trans	-136.1	96	177.5	0	0	0	0	0	113.1	Y83 Q97 Y98 I99 E322	Y83-G95 VanDerWaalsContact O-CA 3.28Å; Y83-G95 WeakPolarHBondContact O-CA 3.08Å; G95-Q97 VanDerWaalsContact C-N 3.34Å; G95-Q97 PolarHBondContact O-N 3.43Å; G95-Y98 WeakPolarHBondContact O-CD2 3.44Å; G95-Y98 PolarHBondContact O-N 2.93Å; G95-Y98 VanDerWaalsContact O-N 3.14Å; G95-I99 PolarHBondContact O-N 2.94Å; G95-E322 PolarHBondContact N-OE1 3.25Å
96	V	98.4	Very high	97.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-33.5	-170.3	-177.5	0	0	0	0	113.7	D72 Y83 Y84 Y98 I99 L100 F122 F319	D72-V96 HydrophobicContact CB-CG1 4.49Å; D72-V96 HydrophobicContact CB-CG2 4.07Å; D72-V96 WeakPolarHBondContact OD2-CG1 3.03Å; Y83-V96 PolarHBondContact O-N 3.37Å; Y84-V96 PolarHBondContact O-N 2.9Å; V96-Y98 PolarHBondContact O-N 2.83Å; V96-I99 WeakPolarHBondContact O-CB 3.4Å; V96-I99 PolarHBondContact O-N 2.89Å; V96-L100 HydrophobicContact CG1-CD1 4.35Å; V96-L100 PolarHBondContact O-N 3.03Å; V96-L100 VanDerWaalsContact O-N 3.14Å; V96-F122 HydrophobicContact CB-CB 4.41Å; V96-F122 HydrophobicContact CB-CD2 4.41Å; V96-F122 HydrophobicContact CB-CG 4.21Å; V96-F122 HydrophobicContact CG1-CB 3.61Å; V96-F122 HydrophobicContact CG1-CD2 4.09Å; V96-F122 HydrophobicContact CG1-CG 3.86Å; V96-F122 HydrophobicContact CG2-CD2 3.93Å; V96-F122 HydrophobicContact CG2-CE2 4.01Å; V96-F122 HydrophobicContact CG2-CG 4.18Å; V96-F122 HydrophobicContact CG2-CZ 4.37Å; V96-F319 HydrophobicContact CG2-CD1 3.93Å; V96-F319 HydrophobicContact CG2-CE1 3.97Å
97	Q	98	Very high	97.2	Very high	36 Å²	36	42.5 Å²	42.5	17%	0.168	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-36.6	177.8	68.2	-176.6	-18.2	0	0	112.5	Y84 Y85 G95 L100 D101	Y84-Q97 HydrophobicContact CD2-CB 4.43Å; Y84-Q97 HydrophobicContact CE1-CB 4.42Å; Y84-Q97 HydrophobicContact CE2-CB 3.94Å; Y84-Q97 WeakPolarHBondContact O-CG 3.29Å; Y84-Q97 PolarHBondContact O-N 3.33Å; Y85-Q97 PolarHBondContact O-NE2 3.39Å; G95-Q97 VanDerWaalsContact C-N 3.34Å; G95-Q97 PolarHBondContact O-N 3.43Å; Q97-L100 PolarHBondContact O-N 3.43Å; Q97-D101 PolarHBondContact O-N 3.01Å
98	Y	97.9	Very high	97.2	Very high	106 Å²	106	43.8 Å²	43.8	42%	0.416	22%	0.221	S	C	.	.	H	α-helix	trans	-73.4	-33.5	179.8	-50	-58.9	0	0	0	111.5	Y85 G95 V96 N102	Y85-Y98 PolarHBondContact O-OH 3.4Å; G95-Y98 WeakPolarHBondContact O-CD2 3.44Å; G95-Y98 PolarHBondContact O-N 2.93Å; G95-Y98 VanDerWaalsContact O-N 3.14Å; V96-Y98 PolarHBondContact O-N 2.83Å; Y98-N102 WeakPolarHBondContact O-CB 3.39Å; Y98-N102 PolarHBondContact O-N 3.45Å; Y98-N102 VanDerWaalsContact O-N 3.09Å; Y98-N102 PolarHBondContact O-ND2 3.4Å; Y98-N102 VanDerWaalsContact O-ND2 3.11Å
99	I	98.6	Very high	97.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-58.2	-54	172.6	-60.4	173.2	0	0	0	109.6	T70 G95 V96 D101 N102 V103 F319 T320 E322	T70-I99 HydrophobicContact CG2-CG2 4.03Å; G95-I99 PolarHBondContact O-N 2.94Å; V96-I99 WeakPolarHBondContact O-CB 3.4Å; V96-I99 PolarHBondContact O-N 2.89Å; I99-D101 PolarHBondContact O-N 3.26Å; I99-N102 PolarHBondContact O-N 2.04Å; I99-V103 HydrophobicContact CG2-CG2 4.1Å; I99-V103 VanDerWaalsContact O-CB 3.31Å; I99-V103 WeakPolarHBondContact O-CB 3.1Å; I99-V103 VanDerWaalsContact O-CG2 3.23Å; I99-V103 WeakPolarHBondContact O-CG2 3.39Å; I99-V103 PolarHBondContact O-N 3.17Å; I99-F319 HydrophobicContact CD1-CB 4.4Å; I99-T320 WeakPolarHBondContact CD1-O 3.43Å; I99-T320 WeakPolarHBondContact CG1-O 3.34Å; I99-T320 WeakPolarHBondContact CG2-O 3.26Å; I99-E322 HydrophobicContact CG1-CB 4.49Å; I99-E322 HydrophobicContact CG1-CG 3.89Å
100	L	98.7	Very high	97.5	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-42.7	-179	-73.2	169	0	0	0	112.2	V96 Q97 N102 I104 Y117 F123 W126	V96-L100 HydrophobicContact CG1-CD1 4.35Å; V96-L100 PolarHBondContact O-N 3.03Å; V96-L100 VanDerWaalsContact O-N 3.14Å; Q97-L100 PolarHBondContact O-N 3.43Å; L100-N102 PolarHBondContact O-N 3.26Å; L100-I104 WeakPolarHBondContact O-CB 3.47Å; L100-I104 WeakPolarHBondContact O-CG1 3.2Å; L100-I104 PolarHBondContact O-N 3.32Å; L100-I104 VanDerWaalsContact O-N 3.08Å; L100-Y117 HydrophobicContact CD2-CD2 3.83Å; L100-Y117 HydrophobicContact CD2-CE1 4.44Å; L100-Y117 HydrophobicContact CD2-CE2 3.53Å; L100-Y117 HydrophobicContact CD2-CG 4.46Å; L100-Y117 HydrophobicContact CG-CE2 4.17Å; L100-F123 HydrophobicContact CD2-CD2 4.33Å; L100-W126 HydrophobicContact CB-CD2 3.83Å; L100-W126 HydrophobicContact CB-CG 3.87Å; L100-W126 HydrophobicContact CB-CZ2 4.33Å; L100-W126 HydrophobicContact CD1-CB 3.38Å; L100-W126 HydrophobicContact CD1-CD2 3.87Å; L100-W126 HydrophobicContact CD1-CE3 4.31Å; L100-W126 HydrophobicContact CD1-CG 3.46Å; L100-W126 VanDerWaalsContact CD1-CG 3.46Å; L100-W126 HydrophobicContact CG-CD2 4.4Å; L100-W126 HydrophobicContact CG-CG 4.3Å
101	D	98.4	Very high	97.5	Very high	56 Å²	56	41.3 Å²	41.3	30%	0.299	21%	0.208	S	C	.	.	H	α-helix	trans	-59	-47.2	178.5	-76.2	-20	0	0	0	112.4	Q97 I99 Q105 W126 K134	Q97-D101 PolarHBondContact O-N 3.01Å; I99-D101 PolarHBondContact O-N 3.26Å; D101-Q105 PolarHBondContact O-N 3.49Å; D101-W126 PolarHBondContact OD1-NE1 3.35Å; D101-K134 PolarHBondContact O-NZ 3.22Å
102	N	98.4	Very high	97.5	Very high	65 Å²	65	45.7 Å²	45.7	35%	0.348	23%	0.225	S	C	.	.	H	α-helix	trans	-77.8	-38.4	-175.7	-74.4	-48.6	0	0	0	113.2	Y98 I99 L100 Q105 A106 E322 A324	Y98-N102 WeakPolarHBondContact O-CB 3.39Å; Y98-N102 PolarHBondContact O-N 3.45Å; Y98-N102 VanDerWaalsContact O-N 3.09Å; Y98-N102 PolarHBondContact O-ND2 3.4Å; Y98-N102 VanDerWaalsContact O-ND2 3.11Å; I99-N102 PolarHBondContact O-N 2.04Å; L100-N102 PolarHBondContact O-N 3.26Å; N102-Q105 PolarHBondContact O-N 3.32Å; N102-A106 WeakPolarHBondContact O-CB 3.24Å; N102-A106 PolarHBondContact O-N 2.89Å; N102-E322 PolarHBondContact ND2-O 2.73Å; N102-A324 HydrophobicContact CB-CB 3.95Å
103	V	98.7	Very high	97.7	Very high	3 Å²	3	45 Å²	45	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-47.2	173.9	166.7	0	0	0	0	110.4	I99 Q105 A106 L107 F115 Y321 A324	I99-V103 HydrophobicContact CG2-CG2 4.1Å; I99-V103 VanDerWaalsContact O-CB 3.31Å; I99-V103 WeakPolarHBondContact O-CB 3.1Å; I99-V103 VanDerWaalsContact O-CG2 3.23Å; I99-V103 WeakPolarHBondContact O-CG2 3.39Å; I99-V103 PolarHBondContact O-N 3.17Å; V103-Q105 VanDerWaalsContact C-N 3.27Å; V103-Q105 PolarHBondContact O-N 3.11Å; V103-A106 PolarHBondContact O-N 2.71Å; V103-A106 VanDerWaalsContact O-N 3.17Å; V103-L107 HydrophobicContact CG1-CD1 4.14Å; V103-L107 HydrophobicContact CG1-CG 4.36Å; V103-L107 WeakPolarHBondContact O-CG 3.39Å; V103-L107 PolarHBondContact O-N 2.75Å; V103-F115 HydrophobicContact CG1-CB 3.8Å; V103-F115 HydrophobicContact CG1-CD1 3.56Å; V103-F115 HydrophobicContact CG1-CD2 3.73Å; V103-F115 HydrophobicContact CG1-CE1 4.01Å; V103-F115 HydrophobicContact CG1-CE2 4.16Å; V103-F115 HydrophobicContact CG1-CG 3.39Å; V103-F115 HydrophobicContact CG1-CZ 4.28Å; V103-F115 HydrophobicContact CG2-CD2 4.05Å; V103-F115 HydrophobicContact CG2-CE1 4.18Å; V103-F115 HydrophobicContact CG2-CE2 3.68Å; V103-F115 HydrophobicContact CG2-CG 4.44Å; V103-F115 HydrophobicContact CG2-CZ 3.74Å; V103-Y321 HydrophobicContact CG2-CD1 4.06Å; V103-Y321 HydrophobicContact CG2-CG 4.11Å; V103-A324 HydrophobicContact CG2-CB 3.96Å
104	I	98.8	Very high	97.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-40.1	179.7	-65.9	-63.1	0	0	0	110.7	L100 V108 W126 K134 I137 V138 L141 L147	L100-I104 WeakPolarHBondContact O-CB 3.47Å; L100-I104 WeakPolarHBondContact O-CG1 3.2Å; L100-I104 PolarHBondContact O-N 3.32Å; L100-I104 VanDerWaalsContact O-N 3.08Å; I104-V108 WeakPolarHBondContact O-CG2 3.39Å; I104-V108 PolarHBondContact O-N 2.87Å; I104-W126 HydrophobicContact CG1-CH2 3.92Å; I104-W126 HydrophobicContact CG1-CZ2 4.25Å; I104-K134 HydrophobicContact CG2-CD 4.12Å; I104-K134 VanDerWaalsContact CG2-CE 3.49Å; I104-I137 HydrophobicContact CG2-CG2 4.02Å; I104-V138 HydrophobicContact CD1-CG1 4.48Å; I104-V138 HydrophobicContact CD1-CG2 3.88Å; I104-V138 HydrophobicContact CG1-CG2 4.24Å; I104-V138 HydrophobicContact CG2-CG2 4.21Å; I104-L141 HydrophobicContact CD1-CD1 3.89Å; I104-L141 HydrophobicContact CG2-CD1 3.95Å; I104-L147 HydrophobicContact CD1-CD2 3.85Å
105	Q	98.4	Very high	98	Very high	89 Å²	89	41.9 Å²	41.9	42%	0.416	21%	0.209	S	C	.	.	H	α-helix	trans	-65.1	-46.4	174.9	-172.8	57.5	50.9	0	0	111.7	D101 N102 V103 L107 V108 D109	D101-Q105 PolarHBondContact O-N 3.49Å; N102-Q105 PolarHBondContact O-N 3.32Å; V103-Q105 VanDerWaalsContact C-N 3.27Å; V103-Q105 PolarHBondContact O-N 3.11Å; Q105-L107 VanDerWaalsContact C-N 3.27Å; Q105-L107 PolarHBondContact O-N 3.37Å; Q105-V108 WeakPolarHBondContact O-CB 3.44Å; Q105-V108 PolarHBondContact O-N 2.66Å; Q105-D109 PolarHBondContact NE2-OD1 2.04Å; Q105-D109 VanDerWaalsContact O-CG 3.23Å; Q105-D109 PolarHBondContact O-N 3.19Å; Q105-D109 VanDerWaalsContact O-N 3.14Å
106	A	98.6	Very high	98	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-33.9	-179	0	0	0	0	0	113	N102 V103 D109 R113 A324 Y328	N102-A106 WeakPolarHBondContact O-CB 3.24Å; N102-A106 PolarHBondContact O-N 2.89Å; V103-A106 PolarHBondContact O-N 2.71Å; V103-A106 VanDerWaalsContact O-N 3.17Å; A106-D109 PolarHBondContact O-N 3.34Å; A106-R113 WeakPolarHBondContact O-CD 3.29Å; A106-R113 PolarHBondContact O-NH1 2.8Å; A106-A324 HydrophobicContact CB-CB 4.12Å; A106-Y328 HydrophobicContact CB-CD2 3.38Å; A106-Y328 HydrophobicContact CB-CE2 3.64Å; A106-Y328 HydrophobicContact CB-CG 4.3Å
107	L	98.6	Very high	98.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70.9	-31.9	173.5	-67.2	179.7	0	0	0	113	V103 Q105 D109 R113 F115 L141 Q146 L147	V103-L107 HydrophobicContact CG1-CD1 4.14Å; V103-L107 HydrophobicContact CG1-CG 4.36Å; V103-L107 WeakPolarHBondContact O-CG 3.39Å; V103-L107 PolarHBondContact O-N 2.75Å; Q105-L107 VanDerWaalsContact C-N 3.27Å; Q105-L107 PolarHBondContact O-N 3.37Å; L107-D109 VanDerWaalsContact C-N 3.27Å; L107-R113 HydrophobicContact CD2-CB 3.79Å; L107-F115 HydrophobicContact CD1-CB 3.93Å; L107-F115 HydrophobicContact CD2-CB 4.16Å; L107-F115 HydrophobicContact CG-CB 4.41Å; L107-L141 HydrophobicContact CB-CD1 3.82Å; L107-L141 HydrophobicContact CB-CD2 3.77Å; L107-L141 HydrophobicContact CB-CG 4.41Å; L107-L141 HydrophobicContact CD1-CD1 4.1Å; L107-Q146 HydrophobicContact CD2-CB 4.46Å; L107-Q146 PolarHBondContact O-OE1 3.26Å; L107-Q146 VanDerWaalsContact O-OE1 3.08Å; L107-L147 HydrophobicContact CD1-CB 3.92Å; L107-L147 HydrophobicContact CD1-CD1 4.39Å
108	V	98	Very high	98.1	Very high	70 Å²	70	40.6 Å²	40.6	42%	0.424	20%	0.204	S	C	.	.	H	α-helix	trans	-66.3	-34.7	173.8	169.5	0	0	0	0	111.1	I104 Q105 D110 I137 L141	I104-V108 WeakPolarHBondContact O-CG2 3.39Å; I104-V108 PolarHBondContact O-N 2.87Å; Q105-V108 WeakPolarHBondContact O-CB 3.44Å; Q105-V108 PolarHBondContact O-N 2.66Å; V108-D110 PolarHBondContact O-N 3.4Å; V108-I137 HydrophobicContact CG2-CG2 3.41Å; V108-I137 VanDerWaalsContact CG2-CG2 3.41Å; V108-L141 HydrophobicContact CG2-CD1 4.37Å; V108-L141 HydrophobicContact CG2-CD2 4.5Å
109	D	97.7	Very high	98.1	Very high	101 Å²	101	35.9 Å²	35.9	54%	0.54	19%	0.185	S	C	.	.	H	α-helix	trans	-72.7	-24.6	-173	-61.8	-20.8	0	0	0	114.1	Q105 A106 L107	Q105-D109 PolarHBondContact NE2-OD1 2.04Å; Q105-D109 VanDerWaalsContact O-CG 3.23Å; Q105-D109 PolarHBondContact O-N 3.19Å; Q105-D109 VanDerWaalsContact O-N 3.14Å; A106-D109 PolarHBondContact O-N 3.34Å; L107-D109 VanDerWaalsContact C-N 3.27Å
110	D	97.2	Very high	98.1	Very high	38 Å²	38	35.9 Å²	35.9	20%	0.203	19%	0.185	C	C	.	.			trans	-147.4	119.5	176	-174.3	-24.8	0	0	0	112.7	V108 K112 R113 Q146	V108-D110 PolarHBondContact O-N 3.4Å; D110-K112 PolarHBondContact O-N 3.38Å; D110-K112 VanDerWaalsContact OD1-CB 3.29Å; D110-K112 WeakPolarHBondContact OD1-CB 3.33Å; D110-K112 WeakPolarHBondContact OD1-CG 3.13Å; D110-K112 PolarHBondContact OD1-N 3.39Å; D110-R113 HydrophobicContact CB-CG 3.99Å; D110-R113 PolarHBondContact O-N 3.24Å; D110-R113 VanDerWaalsContact O-N 3.07Å; D110-Q146 PolarHBondContact O-OE1 3.17Å; D110-Q146 VanDerWaalsContact O-OE1 3.14Å
111	P	95.6	Very high	98.1	Very high	97 Å²	97	36.1 Å²	36.1	63%	0.63	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.3	-178.7	27.2	-36.6	0	0	0	115.4	R114 Q146	P111-R114 PolarHBondContact O-NH1 3.38Å; P111-Q146 PolarHBondContact O-OE1 3.08Å
112	K	95.6	Very high	98.1	Very high	146 Å²	146	33.5 Å²	33.5	64%	0.635	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.9	177.8	-63.5	173.6	-173.7	164.9	0	112.8	D110 R114 Y353	D110-K112 PolarHBondContact O-N 3.38Å; D110-K112 VanDerWaalsContact OD1-CB 3.29Å; D110-K112 WeakPolarHBondContact OD1-CB 3.33Å; D110-K112 WeakPolarHBondContact OD1-CG 3.13Å; D110-K112 PolarHBondContact OD1-N 3.39Å; K112-R114 PolarHBondContact O-NH1 3.31Å; K112-R114 VanDerWaalsContact O-NH1 3.1Å; K112-Y353 HydrophobicContact CB-CD2 4.45Å; K112-Y353 WeakPolarHBondContact O-CB 3.47Å; K112-Y353 WeakPolarHBondContact O-CD2 3.18Å
113	R	97.8	Very high	98.1	Very high	22 Å²	22	30.5 Å²	30.5	8%	0.083	16%	0.157	C	C	.	.			trans	-67.3	149	-177.6	-69.9	172.6	178.7	173.6	-3.1	110.2	A106 L107 D110 Y328 D332 Y353	A106-R113 WeakPolarHBondContact O-CD 3.29Å; A106-R113 PolarHBondContact O-NH1 2.8Å; L107-R113 HydrophobicContact CD2-CB 3.79Å; D110-R113 HydrophobicContact CB-CG 3.99Å; D110-R113 PolarHBondContact O-N 3.24Å; D110-R113 VanDerWaalsContact O-N 3.07Å; R113-Y328 HydrophobicContact CB-CD1 4.07Å; R113-Y328 HydrophobicContact CB-CE1 3.71Å; R113-Y328 HydrophobicContact CG-CD1 3.59Å; R113-Y328 HydrophobicContact CG-CE1 3.78Å; R113-Y328 HydrophobicContact CG-CG 4.35Å; R113-D332 IonicContact CZ-OD2 2.75Å; R113-D332 IonicContact NE-OD1 3.95Å; R113-D332 IonicContact NE-OD2 2.67Å; R113-D332 PolarHBondContact NE-OD2 2.83Å; R113-D332 IonicContact NH2-OD2 3.89Å; R113-D332 PolarHBondContact NH2-OD2 3.05Å; R113-Y353 HydrophobicContact CG-CE2 4.12Å
114	R	98.2	Very high	98	Very high	38 Å²	38	31 Å²	31	14%	0.143	16%	0.16	C	C	.	.			trans	-131	149.4	178.4	-62.6	-63.3	179	-91.2	5.4	108.8	P68 P111 K112 G145 Q146 Y328 T355	P68-R114 VanDerWaalsContact CB-O 3.27Å; P68-R114 WeakPolarHBondContact CB-O 3.09Å; P68-R114 VanDerWaalsContact CG-O 3.22Å; P68-R114 WeakPolarHBondContact CG-O 3.42Å; P111-R114 PolarHBondContact O-NH1 3.38Å; K112-R114 PolarHBondContact O-NH1 3.31Å; K112-R114 VanDerWaalsContact O-NH1 3.1Å; R114-G145 WeakPolarHBondContact CD-O 3.31Å; R114-G145 PolarHBondContact NE-O 3.48Å; R114-Q146 CarbonylContact C-O 3.55Å; R114-Q146 VanDerWaalsContact CA-O 3.27Å; R114-Q146 WeakPolarHBondContact CA-O 3.32Å; R114-Y328 PolarHBondContact O-OH 2.96Å; R114-T355 HydrophobicContact CB-CG2 4.15Å; R114-T355 HydrophobicContact CG-CG2 4.47Å
115	F	98.7	Very high	97.9	Very high	1 Å²	1	34 Å²	34	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	139.5	170	-159.8	-97.8	0	0	0	110.5	P68 T70 V103 L107 Y117 Q146 L147 Q148 Y321 Y328	P68-F115 HydrophobicContact CB-CD2 3.8Å; P68-F115 HydrophobicContact CB-CE2 4.34Å; T70-F115 HydrophobicContact CG2-CE1 4.19Å; T70-F115 HydrophobicContact CG2-CZ 4.01Å; V103-F115 HydrophobicContact CG1-CB 3.8Å; V103-F115 HydrophobicContact CG1-CD1 3.56Å; V103-F115 HydrophobicContact CG1-CD2 3.73Å; V103-F115 HydrophobicContact CG1-CE1 4.01Å; V103-F115 HydrophobicContact CG1-CE2 4.16Å; V103-F115 HydrophobicContact CG1-CG 3.39Å; V103-F115 HydrophobicContact CG1-CZ 4.28Å; V103-F115 HydrophobicContact CG2-CD2 4.05Å; V103-F115 HydrophobicContact CG2-CE1 4.18Å; V103-F115 HydrophobicContact CG2-CE2 3.68Å; V103-F115 HydrophobicContact CG2-CG 4.44Å; V103-F115 HydrophobicContact CG2-CZ 3.74Å; L107-F115 HydrophobicContact CD1-CB 3.93Å; L107-F115 HydrophobicContact CD2-CB 4.16Å; L107-F115 HydrophobicContact CG-CB 4.41Å; F115-Y117 HydrophobicContact CE1-CD2 4.03Å; F115-Q146 PolarHBondContact N-O 3.47Å; F115-L147 HydrophobicContact CB-CD1 4.29Å; F115-L147 HydrophobicContact CD1-CD1 4.21Å; F115-Q148 PolarHBondContact O-N 3.1Å; F115-Y321 HydrophobicContact CD2-CD1 4.33Å; F115-Y321 HydrophobicContact CD2-CE1 4.23Å; F115-Y321 AromaticContact CE2-CD1 3.67Å; F115-Y321 HydrophobicContact CE2-CD1 3.67Å; F115-Y321 AromaticContact CE2-CD2 3.69Å; F115-Y321 HydrophobicContact CE2-CD2 3.69Å; F115-Y321 AromaticContact CE2-CE1 3.82Å; F115-Y321 HydrophobicContact CE2-CE1 3.82Å; F115-Y321 AromaticContact CE2-CE2 3.86Å; F115-Y321 HydrophobicContact CE2-CE2 3.86Å; F115-Y321 AromaticContact CE2-CG 3.63Å; F115-Y321 HydrophobicContact CE2-CG 3.63Å; F115-Y321 AromaticContact CE2-CZ 3.93Å; F115-Y321 HydrophobicContact CZ-CD2 4.15Å; F115-Y321 HydrophobicContact CZ-CG 4.18Å; F115-Y328 WeakPolarHBondContact CD2-OH 3.14Å
116	T	98.6	Very high	97.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.9	174.9	-55.2	0	0	0	0	109.5	P68 H69 Q148 A150 P356	P68-T116 PolarHBondContact O-N 3.48Å; H69-T116 WeakPolarHBondContact CA-O 3.26Å; T116-Q148 VanDerWaalsContact CA-O 3.32Å; T116-Q148 WeakPolarHBondContact CA-O 3.32Å; T116-A150 HydrophobicContact CG2-CB 3.69Å; T116-P356 HydrophobicContact CG2-CG 4.04Å; T116-P356 WeakPolarHBondContact OG1-CD 3.12Å
117	Y	98.7	Very high	97.9	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.9	175	-158	-93.3	0	0	0	110.2	T70 D72 L100 F115 E119 M120 F123 Q148 F149 A150	T70-Y117 HydrophobicContact CG2-CD2 4.24Å; T70-Y117 HydrophobicContact CG2-CE2 3.91Å; D72-Y117 WeakPolarHBondContact OD2-CE2 3.37Å; D72-Y117 PolarHBondContact OD2-OH 3.41Å; L100-Y117 HydrophobicContact CD2-CD2 3.83Å; L100-Y117 HydrophobicContact CD2-CE1 4.44Å; L100-Y117 HydrophobicContact CD2-CE2 3.53Å; L100-Y117 HydrophobicContact CD2-CG 4.46Å; L100-Y117 HydrophobicContact CG-CE2 4.17Å; F115-Y117 HydrophobicContact CE1-CD2 4.03Å; Y117-E119 VanDerWaalsContact CE1-O 3.27Å; Y117-E119 WeakPolarHBondContact CE1-O 3.35Å; Y117-M120 HydrophobicContact CD1-CE 4.38Å; Y117-F123 HydrophobicContact CD1-CB 4.15Å; Y117-F123 HydrophobicContact CD1-CD2 4.06Å; Y117-F123 HydrophobicContact CD1-CG 4.45Å; Y117-F123 HydrophobicContact CE1-CB 3.67Å; Y117-F123 HydrophobicContact CE1-CD2 4.17Å; Y117-F123 HydrophobicContact CE1-CG 4.37Å; Y117-Q148 PolarHBondContact N-O 3.33Å; Y117-F149 HydrophobicContact CD1-CE1 4.38Å; Y117-F149 CarbonylContact O-C 3.51Å; Y117-F149 WeakPolarHBondContact O-CA 3.45Å; Y117-A150 PolarHBondContact O-N 3.49Å
118	V	98.5	Very high	97.6	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.03	18%	0.18	C	C	.	.			trans	-115.2	-60.2	-161.3	-172.2	0	0	0	0	113.8	A150 L151 G152 M156 W192	V118-A150 CarbonylContact C-O 3.56Å; V118-A150 VanDerWaalsContact CA-O 3.27Å; V118-A150 WeakPolarHBondContact CA-O 3.27Å; V118-A150 VanDerWaalsContact O-O 3.07Å; V118-L151 HydrophobicContact CG1-CB 3.83Å; V118-L151 HydrophobicContact CG1-CD2 4.08Å; V118-G152 WeakPolarHBondContact O-CA 3.35Å; V118-G152 PolarHBondContact O-N 2.87Å; V118-G152 VanDerWaalsContact O-N 3.11Å; V118-M156 HydrophobicContact CG1-CE 4.24Å; V118-W192 HydrophobicContact CG1-CB 4.12Å; V118-W192 HydrophobicContact CG1-CG 4.33Å; V118-W192 HydrophobicContact CG2-CG 4.14Å
119	E	98.1	Very high	97.4	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.033	19%	0.19	C	C	.	.			trans	-106.5	143.6	-165.4	-64.9	167.9	83.5	0	0	113	Y117 S155 M156 H453	Y117-E119 VanDerWaalsContact CE1-O 3.27Å; Y117-E119 WeakPolarHBondContact CE1-O 3.35Å; E119-S155 WeakPolarHBondContact OE1-CA 3.31Å; E119-M156 VanDerWaalsContact CD-N 3.27Å; E119-M156 HydrophobicContact CG-CB 4.2Å; E119-M156 PolarHBondContact OE1-N 2.99Å; E119-H453 IonicContact OE1-CD2 3.47Å; E119-H453 PolarHBondContact OE1-CD2 3.49Å; E119-H453 IonicContact OE1-NE2 3.53Å
120	M	98.4	Very high	97.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-88.3	-14.3	-170.1	-65	-60.5	104.7	0	0	114.4	Y117 F123 M124 F149 G153 W154 L178	Y117-M120 HydrophobicContact CD1-CE 4.38Å; M120-F123 HydrophobicContact CE-CB 4.23Å; M120-F123 HydrophobicContact CE-CG 4.45Å; M120-F123 HydrophobicContact SD-CB 4.25Å; M120-F123 HydrophobicContact SD-CD1 4.04Å; M120-F123 HydrophobicContact SD-CG 4.35Å; M120-M124 HydrophobicContact CB-CG 4.5Å; M120-M124 VanDerWaalsContact O-CB 3.23Å; M120-M124 WeakPolarHBondContact O-CB 3.47Å; M120-M124 WeakPolarHBondContact O-CG 3.44Å; M120-M124 PolarHBondContact O-N 3.27Å; M120-F149 HydrophobicContact CE-CD1 3.67Å; M120-F149 HydrophobicContact CE-CE1 3.92Å; M120-G153 WeakPolarHBondContact CB-O 3.36Å; M120-G153 WeakPolarHBondContact CG-O 3.49Å; M120-G153 PolarHBondContact N-O 3.17Å; M120-W154 HydrophobicContact CB-CE3 4.07Å; M120-W154 HydrophobicContact CB-CZ3 4.3Å; M120-W154 PolarHBondContact N-O 3.45Å; M120-L178 HydrophobicContact CE-CD1 4.21Å; M120-L178 HydrophobicContact CE-CD2 4.15Å; M120-L178 HydrophobicContact CE-CG 4.45Å; M120-L178 HydrophobicContact CG-CD1 4.45Å; M120-L178 HydrophobicContact CG-CG 4.39Å; M120-L178 HydrophobicContact SD-CD1 3.95Å; M120-L178 HydrophobicContact SD-CD2 3.51Å; M120-L178 VanDerWaalsContact SD-CD2 3.51Å; M120-L178 HydrophobicContact SD-CG 3.64Å
121	T	98.5	Very high	97.3	Very high	12 Å²	12	33.7 Å²	33.7	7%	0.074	19%	0.19	C	C	.	.	H	α-helix	trans	-55.1	-58.9	179.4	-65.6	0	0	0	0	111.8	V74 V80 K125 W154 V450	V74-T121 HydrophobicContact CB-CG2 4.33Å; V74-T121 HydrophobicContact CG1-CG2 3.82Å; V80-T121 HydrophobicContact CG1-CG2 4.21Å; T121-K125 PolarHBondContact O-N 3.32Å; T121-W154 WeakPolarHBondContact CB-O 3.06Å; T121-W154 PolarHBondContact N-O 3.39Å; T121-W154 VanDerWaalsContact N-O 3.09Å; T121-W154 PolarHBondContact OG1-NE1 3.34Å; T121-W154 PolarHBondContact OG1-O 2.97Å; T121-V450 HydrophobicContact CG2-CG2 3.86Å
122	F	98.7	Very high	97.3	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-76	-37.6	-179.5	-67.1	-52	0	0	0	112.8	D72 D73 V74 V80 Y84 V96 M124 K125 W126	D72-F122 HydrophobicContact CB-CD2 3.75Å; D72-F122 HydrophobicContact CB-CE2 4.02Å; D72-F122 WeakPolarHBondContact O-CE2 3.37Å; D73-F122 WeakPolarHBondContact O-CE2 3.35Å; V74-F122 HydrophobicContact CB-CE2 4.46Å; V74-F122 HydrophobicContact CG1-CD2 4.14Å; V74-F122 HydrophobicContact CG1-CE2 3.84Å; V74-F122 HydrophobicContact CG1-CZ 4.34Å; V80-F122 HydrophobicContact CG1-CE1 3.8Å; V80-F122 HydrophobicContact CG1-CZ 4.25Å; V80-F122 VanDerWaalsContact O-CE1 3.29Å; V80-F122 WeakPolarHBondContact O-CE1 3.15Å; Y84-F122 AromaticContact CD2-CD1 3.95Å; Y84-F122 HydrophobicContact CD2-CD1 3.95Å; Y84-F122 HydrophobicContact CG-CD1 4.41Å; V96-F122 HydrophobicContact CB-CB 4.41Å; V96-F122 HydrophobicContact CB-CD2 4.41Å; V96-F122 HydrophobicContact CB-CG 4.21Å; V96-F122 HydrophobicContact CG1-CB 3.61Å; V96-F122 HydrophobicContact CG1-CD2 4.09Å; V96-F122 HydrophobicContact CG1-CG 3.86Å; V96-F122 HydrophobicContact CG2-CD2 3.93Å; V96-F122 HydrophobicContact CG2-CE2 4.01Å; V96-F122 HydrophobicContact CG2-CG 4.18Å; V96-F122 HydrophobicContact CG2-CZ 4.37Å; F122-M124 VanDerWaalsContact C-N 3.26Å; F122-M124 PolarHBondContact O-N 2.91Å; F122-K125 PolarHBondContact O-N 3.3Å; F122-W126 WeakPolarHBondContact O-CB 3.21Å; F122-W126 PolarHBondContact O-N 3.43Å
123	F	98.6	Very high	97.3	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-54	-46.5	175.7	-173.2	-100.7	0	0	0	111.2	L100 Y117 M120 W126 W127 V138 F149 L181 F182	L100-F123 HydrophobicContact CD2-CD2 4.33Å; Y117-F123 HydrophobicContact CD1-CB 4.15Å; Y117-F123 HydrophobicContact CD1-CD2 4.06Å; Y117-F123 HydrophobicContact CD1-CG 4.45Å; Y117-F123 HydrophobicContact CE1-CB 3.67Å; Y117-F123 HydrophobicContact CE1-CD2 4.17Å; Y117-F123 HydrophobicContact CE1-CG 4.37Å; M120-F123 HydrophobicContact CE-CB 4.23Å; M120-F123 HydrophobicContact CE-CG 4.45Å; M120-F123 HydrophobicContact SD-CB 4.25Å; M120-F123 HydrophobicContact SD-CD1 4.04Å; M120-F123 HydrophobicContact SD-CG 4.35Å; F123-W126 HydrophobicContact CE2-CE3 4.49Å; F123-W126 HydrophobicContact CE2-CZ3 4.43Å; F123-W126 PolarHBondContact O-N 2.79Å; F123-W127 HydrophobicContact CE1-CB 4.42Å; F123-W127 HydrophobicContact CE1-CE3 4.14Å; F123-W127 AromaticContact CZ-CE3 3.98Å; F123-W127 HydrophobicContact CZ-CE3 3.98Å; F123-W127 VanDerWaalsContact O-CB 3.22Å; F123-W127 WeakPolarHBondContact O-CB 3.38Å; F123-W127 PolarHBondContact O-N 3.09Å; F123-V138 HydrophobicContact CE2-CG1 4.49Å; F123-V138 HydrophobicContact CZ-CG1 4.14Å; F123-F149 HydrophobicContact CD2-CE1 4.07Å; F123-F149 HydrophobicContact CD2-CZ 4.46Å; F123-F149 HydrophobicContact CE1-CE1 4.47Å; F123-F149 HydrophobicContact CE1-CZ 4.15Å; F123-F149 AromaticContact CE2-CE1 3.93Å; F123-F149 HydrophobicContact CE2-CE1 3.93Å; F123-F149 AromaticContact CE2-CZ 3.89Å; F123-F149 HydrophobicContact CE2-CZ 3.89Å; F123-F149 HydrophobicContact CG-CE1 4.4Å; F123-F149 HydrophobicContact CZ-CE1 4.14Å; F123-F149 AromaticContact CZ-CZ 3.72Å; F123-F149 HydrophobicContact CZ-CZ 3.72Å; F123-L181 HydrophobicContact CE1-CD1 4.42Å; F123-F182 AromaticContact CE1-CE2 3.8Å; F123-F182 HydrophobicContact CE1-CE2 3.8Å; F123-F182 AromaticContact CE1-CZ 3.92Å; F123-F182 HydrophobicContact CE1-CZ 3.92Å; F123-F182 AromaticContact CZ-CE2 3.94Å; F123-F182 HydrophobicContact CZ-CE2 3.94Å; F123-F182 AromaticContact CZ-CZ 3.71Å; F123-F182 HydrophobicContact CZ-CZ 3.71Å
124	M	97.2	Very high	97.3	Very high	15 Å²	15	32.3 Å²	32.3	7%	0.074	19%	0.193	C	C	.	.	H	α-helix	trans	-71.8	-39.2	-179.1	-75.4	-53.3	-64.2	0	0	113	M120 F122 W126 W127 T128 W154 V177 L181 V1028	M120-M124 HydrophobicContact CB-CG 4.5Å; M120-M124 VanDerWaalsContact O-CB 3.23Å; M120-M124 WeakPolarHBondContact O-CB 3.47Å; M120-M124 WeakPolarHBondContact O-CG 3.44Å; M120-M124 PolarHBondContact O-N 3.27Å; F122-M124 VanDerWaalsContact C-N 3.26Å; F122-M124 PolarHBondContact O-N 2.91Å; M124-W126 VanDerWaalsContact C-N 3.29Å; M124-W126 PolarHBondContact O-N 3.3Å; M124-W127 PolarHBondContact O-N 2.88Å; M124-W127 HydrophobicContact SD-CB 4.3Å; M124-W127 HydrophobicContact SD-CG 4.43Å; M124-T128 WeakPolarHBondContact O-CG2 3.32Å; M124-T128 PolarHBondContact O-N 3.01Å; M124-T128 PolarHBondContact O-OG1 2.96Å; M124-W154 HydrophobicContact CB-CH2 4.02Å; M124-W154 HydrophobicContact CG-CH2 4.1Å; M124-W154 HydrophobicContact CG-CZ3 4.21Å; M124-V177 HydrophobicContact CE-CG1 3.93Å; M124-V177 HydrophobicContact CG-CG1 3.93Å; M124-V177 HydrophobicContact CG-CG2 4.46Å; M124-V177 HydrophobicContact SD-CG1 3.24Å; M124-V177 WeakPolarHBondContact SD-CG1 3.3Å; M124-L181 HydrophobicContact CE-CD1 4.46Å; M124-L181 HydrophobicContact SD-CD1 3.86Å; M124-V1028 HydrophobicContact CE-CG1 3.51Å
125	K	96.9	Very high	97.2	Very high	62 Å²	62	33.6 Å²	33.6	27%	0.27	20%	0.197	S	C	.	.	H	α-helix	trans	-57.1	-46.8	173	-166.5	175.9	174	85.4	0	110.7	D81 Y84 T121 F122 T128	D81-K125 WeakPolarHBondContact OD1-CE 3.38Å; D81-K125 IonicContact OD1-NZ 3.42Å; D81-K125 PolarHBondContact OD1-NZ 2.78Å; Y84-K125 HydrophobicContact CD1-CD 3.6Å; Y84-K125 HydrophobicContact CD1-CG 4.19Å; Y84-K125 HydrophobicContact CD2-CB 4.25Å; Y84-K125 HydrophobicContact CD2-CD 3.68Å; Y84-K125 HydrophobicContact CD2-CG 4.08Å; Y84-K125 HydrophobicContact CE1-CD 3.87Å; Y84-K125 VanDerWaalsContact CE1-CE 3.49Å; Y84-K125 HydrophobicContact CE1-CG 3.94Å; Y84-K125 HydrophobicContact CE2-CB 3.96Å; Y84-K125 HydrophobicContact CE2-CD 3.97Å; Y84-K125 HydrophobicContact CE2-CG 3.84Å; Y84-K125 HydrophobicContact CG-CD 3.46Å; Y84-K125 VanDerWaalsContact CG-CD 3.46Å; Y84-K125 VanDerWaalsContact CG-CE 3.44Å; Y84-K125 HydrophobicContact CG-CG 4.24Å; T121-K125 PolarHBondContact O-N 3.32Å; F122-K125 PolarHBondContact O-N 3.3Å; K125-T128 PolarHBondContact O-OG1 2.94Å
126	W	98.5	Very high	97.1	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-50.2	174.4	179.1	87.2	0	0	0	113.1	Y84 L100 D101 I104 F122 F123 M124 T128 G129 Q130 K134 V138	Y84-W126 HydrophobicContact CE2-CB 4.12Å; Y84-W126 WeakPolarHBondContact OH-CA 3.47Å; L100-W126 HydrophobicContact CB-CD2 3.83Å; L100-W126 HydrophobicContact CB-CG 3.87Å; L100-W126 HydrophobicContact CB-CZ2 4.33Å; L100-W126 HydrophobicContact CD1-CB 3.38Å; L100-W126 HydrophobicContact CD1-CD2 3.87Å; L100-W126 HydrophobicContact CD1-CE3 4.31Å; L100-W126 HydrophobicContact CD1-CG 3.46Å; L100-W126 VanDerWaalsContact CD1-CG 3.46Å; L100-W126 HydrophobicContact CG-CD2 4.4Å; L100-W126 HydrophobicContact CG-CG 4.3Å; D101-W126 PolarHBondContact OD1-NE1 3.35Å; I104-W126 HydrophobicContact CG1-CH2 3.92Å; I104-W126 HydrophobicContact CG1-CZ2 4.25Å; F122-W126 WeakPolarHBondContact O-CB 3.21Å; F122-W126 PolarHBondContact O-N 3.43Å; F123-W126 HydrophobicContact CE2-CE3 4.49Å; F123-W126 HydrophobicContact CE2-CZ3 4.43Å; F123-W126 PolarHBondContact O-N 2.79Å; M124-W126 VanDerWaalsContact C-N 3.29Å; M124-W126 PolarHBondContact O-N 3.3Å; W126-T128 VanDerWaalsContact C-N 3.28Å; W126-T128 PolarHBondContact O-N 3.22Å; W126-G129 PolarHBondContact O-N 3.12Å; W126-Q130 HydrophobicContact CD2-CG 3.81Å; W126-Q130 VanDerWaalsContact CE2-CD 3.45Å; W126-Q130 VanDerWaalsContact CE2-NE2 3.27Å; W126-Q130 HydrophobicContact CE3-CG 3.87Å; W126-Q130 HydrophobicContact CH2-CG 3.75Å; W126-Q130 HydrophobicContact CZ2-CG 3.68Å; W126-Q130 HydrophobicContact CZ3-CG 3.85Å; W126-Q130 WeakPolarHBondContact O-CG 3.37Å; W126-Q130 PolarHBondContact O-NE2 2.72Å; W126-K134 HydrophobicContact CH2-CG 4.21Å; W126-K134 HydrophobicContact CZ2-CG 4.3Å; W126-V138 HydrophobicContact CH2-CG2 3.6Å; W126-V138 HydrophobicContact CZ3-CG2 3.84Å
127	W	97.6	Very high	97	Very high	12 Å²	12	38.2 Å²	38.2	5%	0.045	22%	0.22	C	C	.	.	H	α-helix	trans	-55.4	-41.2	-177.4	176.9	-94.2	0	0	0	112.9	F123 M124 G129 Q130 R135 V138 K139 L181 F182	F123-W127 HydrophobicContact CE1-CB 4.42Å; F123-W127 HydrophobicContact CE1-CE3 4.14Å; F123-W127 AromaticContact CZ-CE3 3.98Å; F123-W127 HydrophobicContact CZ-CE3 3.98Å; F123-W127 VanDerWaalsContact O-CB 3.22Å; F123-W127 WeakPolarHBondContact O-CB 3.38Å; F123-W127 PolarHBondContact O-N 3.09Å; M124-W127 PolarHBondContact O-N 2.88Å; M124-W127 HydrophobicContact SD-CB 4.3Å; M124-W127 HydrophobicContact SD-CG 4.43Å; W127-G129 PolarHBondContact O-N 2.85Å; W127-Q130 PolarHBondContact O-N 3.27Å; W127-Q130 VanDerWaalsContact O-N 3.13Å; W127-R135 HydrophobicContact CD2-CG 4.06Å; W127-R135 HydrophobicContact CE3-CG 4.09Å; W127-R135 HydrophobicContact CH2-CB 3.53Å; W127-R135 HydrophobicContact CH2-CG 3.71Å; W127-R135 HydrophobicContact CZ2-CB 3.82Å; W127-R135 HydrophobicContact CZ2-CG 3.66Å; W127-R135 HydrophobicContact CZ3-CB 3.99Å; W127-R135 HydrophobicContact CZ3-CG 3.93Å; W127-R135 PolarHBondContact O-NE 3.08Å; W127-R135 PolarHBondContact O-NH2 3.17Å; W127-V138 HydrophobicContact CE3-CG1 4.46Å; W127-V138 HydrophobicContact CZ3-CB 3.88Å; W127-V138 HydrophobicContact CZ3-CG1 3.84Å; W127-V138 HydrophobicContact CZ3-CG2 4.38Å; W127-K139 HydrophobicContact CH2-CG 4.34Å; W127-L181 HydrophobicContact CD2-CD1 4.1Å; W127-L181 HydrophobicContact CG-CD1 4.31Å; W127-L181 HydrophobicContact CZ2-CD1 4.21Å; W127-L181 HydrophobicContact CZ2-CD2 3.84Å; W127-L181 HydrophobicContact CZ2-CG 4.48Å; W127-F182 HydrophobicContact CE3-CZ 4.31Å; W127-F182 HydrophobicContact CH2-CE1 4.09Å; W127-F182 HydrophobicContact CH2-CZ 4.07Å; W127-F182 HydrophobicContact CZ3-CE1 4.05Å; W127-F182 AromaticContact CZ3-CZ 3.76Å; W127-F182 HydrophobicContact CZ3-CZ 3.76Å
128	T	93.3	Very high	97	Very high	92 Å²	92	38 Å²	38	56%	0.564	22%	0.219	S	C	*	.	H	α-helix	trans	-61.8	-32	-179.8	61	0	0	0	0	112.7	M124 K125 W126 R135	M124-T128 WeakPolarHBondContact O-CG2 3.32Å; M124-T128 PolarHBondContact O-N 3.01Å; M124-T128 PolarHBondContact O-OG1 2.96Å; K125-T128 PolarHBondContact O-OG1 2.94Å; W126-T128 VanDerWaalsContact C-N 3.28Å; W126-T128 PolarHBondContact O-N 3.22Å; T128-R135 PolarHBondContact O-NH2 3.34Å
129	G	93.5	Very high	96.9	Very high	61 Å²	61	40.8 Å²	40.8	63%	0.629	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.6	176.7	0	0	0	0	0	115.5	W126 W127	W126-G129 PolarHBondContact O-N 3.12Å; W127-G129 PolarHBondContact O-N 2.85Å
130	Q	96.6	Very high	96.8	Very high	40 Å²	40	41.9 Å²	41.9	19%	0.187	24%	0.237	C	C	.	.	S	Bend	trans	-84.6	149	-173.9	-62	-47.4	-48.8	0	0	114.7	W126 W127 K134 R135	W126-Q130 HydrophobicContact CD2-CG 3.81Å; W126-Q130 VanDerWaalsContact CE2-CD 3.45Å; W126-Q130 VanDerWaalsContact CE2-NE2 3.27Å; W126-Q130 HydrophobicContact CE3-CG 3.87Å; W126-Q130 HydrophobicContact CH2-CG 3.75Å; W126-Q130 HydrophobicContact CZ2-CG 3.68Å; W126-Q130 HydrophobicContact CZ3-CG 3.85Å; W126-Q130 WeakPolarHBondContact O-CG 3.37Å; W126-Q130 PolarHBondContact O-NE2 2.72Å; W127-Q130 PolarHBondContact O-N 3.27Å; W127-Q130 VanDerWaalsContact O-N 3.13Å; Q130-K134 HydrophobicContact CB-CB 4.32Å; Q130-K134 HydrophobicContact CB-CG 4.41Å; Q130-K134 HydrophobicContact CG-CG 4.35Å; Q130-R135 HydrophobicContact CB-CG 4Å; Q130-R135 PolarHBondContact O-NE 2.87Å
131	T	96.4	Very high	96.7	Very high	90 Å²	90	42.2 Å²	42.2	55%	0.552	24%	0.239	S	C	*	.			trans	-67.8	157.4	172.8	66.3	0	0	0	0	112.1	A133 K134 R135	T131-A133 PolarHBondContact O-N 3.43Å; T131-K134 PolarHBondContact O-N 3.39Å; T131-K134 PolarHBondContact OG1-N 3.13Å; T131-R135 WeakPolarHBondContact O-CG 3.27Å; T131-R135 PolarHBondContact O-N 3.32Å
132	L	94.4	Very high	96.7	Very high	138 Å²	138	41.8 Å²	41.8	72%	0.723	24%	0.236	S	C	*	.	H	α-helix	trans	-56.2	-37.8	175.7	-67	178.1	0	0	0	112.4	R135 Q136	L132-R135 PolarHBondContact O-N 3.35Å; L132-Q136 PolarHBondContact O-N 2.79Å
133	A	95.9	Very high	96.5	Very high	65 Å²	65	44.6 Å²	44.6	54%	0.537	25%	0.249	S	C	.	.	H	α-helix	trans	-63.9	-47.8	177	0	0	0	0	0	112	T131 Q136 I137	T131-A133 PolarHBondContact O-N 3.43Å; A133-Q136 PolarHBondContact O-N 3.34Å; A133-I137 WeakPolarHBondContact O-CG1 3.39Å; A133-I137 PolarHBondContact O-N 2.88Å
134	K	97.3	Very high	96.3	Very high	33 Å²	33	46.9 Å²	46.9	14%	0.143	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-41.1	177.5	-170.9	75.2	165.2	-173.3	0	111.3	D101 I104 W126 Q130 T131 Q136 I137 V138	D101-K134 PolarHBondContact O-NZ 3.22Å; I104-K134 HydrophobicContact CG2-CD 4.12Å; I104-K134 VanDerWaalsContact CG2-CE 3.49Å; W126-K134 HydrophobicContact CH2-CG 4.21Å; W126-K134 HydrophobicContact CZ2-CG 4.3Å; Q130-K134 HydrophobicContact CB-CB 4.32Å; Q130-K134 HydrophobicContact CB-CG 4.41Å; Q130-K134 HydrophobicContact CG-CG 4.35Å; T131-K134 PolarHBondContact O-N 3.39Å; T131-K134 PolarHBondContact OG1-N 3.13Å; K134-Q136 VanDerWaalsContact C-N 3.3Å; K134-Q136 PolarHBondContact O-N 2.87Å; K134-I137 WeakPolarHBondContact O-CB 3.24Å; K134-I137 PolarHBondContact O-N 3.25Å; K134-V138 VanDerWaalsContact O-CG2 3.3Å; K134-V138 WeakPolarHBondContact O-CG2 3.33Å; K134-V138 PolarHBondContact O-N 3.09Å
135	R	96.7	Very high	96.2	Very high	65 Å²	65	46.4 Å²	46.4	25%	0.245	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-40.9	173.4	-72.6	-179.6	179.3	164.7	7	112.3	W127 T128 Q130 T131 L132 V138 K139	W127-R135 HydrophobicContact CD2-CG 4.06Å; W127-R135 HydrophobicContact CE3-CG 4.09Å; W127-R135 HydrophobicContact CH2-CB 3.53Å; W127-R135 HydrophobicContact CH2-CG 3.71Å; W127-R135 HydrophobicContact CZ2-CB 3.82Å; W127-R135 HydrophobicContact CZ2-CG 3.66Å; W127-R135 HydrophobicContact CZ3-CB 3.99Å; W127-R135 HydrophobicContact CZ3-CG 3.93Å; W127-R135 PolarHBondContact O-NE 3.08Å; W127-R135 PolarHBondContact O-NH2 3.17Å; T128-R135 PolarHBondContact O-NH2 3.34Å; Q130-R135 HydrophobicContact CB-CG 4Å; Q130-R135 PolarHBondContact O-NE 2.87Å; T131-R135 WeakPolarHBondContact O-CG 3.27Å; T131-R135 PolarHBondContact O-N 3.32Å; L132-R135 PolarHBondContact O-N 3.35Å; R135-V138 PolarHBondContact O-N 3.32Å; R135-K139 WeakPolarHBondContact O-CG 3.48Å; R135-K139 PolarHBondContact O-N 3.48Å
136	Q	96	Very high	96.2	Very high	40 Å²	40	44.4 Å²	44.4	19%	0.187	26%	0.256	C	S	.	.	H	α-helix	trans	-67.5	-39.9	176.1	-172.2	59.3	50.5	0	0	112.2	Y35 L132 A133 K134 V138 K139 D140	Y35-Q136 HydrophobicContact CE2-CB 4.48Å; Y35-Q136 HydrophobicContact CE2-CG 3.96Å; Y35-Q136 PolarHBondContact OH-OE1 3.48Å; L132-Q136 PolarHBondContact O-N 2.79Å; A133-Q136 PolarHBondContact O-N 3.34Å; K134-Q136 VanDerWaalsContact C-N 3.3Å; K134-Q136 PolarHBondContact O-N 2.87Å; Q136-V138 VanDerWaalsContact C-N 3.31Å; Q136-V138 PolarHBondContact O-N 2.8Å; Q136-K139 WeakPolarHBondContact O-CB 3.22Å; Q136-K139 PolarHBondContact O-N 2.83Å; Q136-D140 PolarHBondContact NE2-OD1 3.35Å; Q136-D140 VanDerWaalsContact O-CG 3.24Å; Q136-D140 PolarHBondContact O-N 2.74Å; Q136-D140 VanDerWaalsContact O-OD1 3.14Å
137	I	98.1	Very high	96.2	Very high	59 Å²	59	44.6 Å²	44.6	30%	0.303	26%	0.257	S	S	.	.	H	α-helix	trans	-56.5	-47.2	173.1	-71.1	167.7	0	0	0	110.5	I104 V108 A133 K134 K139 D140 L141	I104-I137 HydrophobicContact CG2-CG2 4.02Å; V108-I137 HydrophobicContact CG2-CG2 3.41Å; V108-I137 VanDerWaalsContact CG2-CG2 3.41Å; A133-I137 WeakPolarHBondContact O-CG1 3.39Å; A133-I137 PolarHBondContact O-N 2.88Å; K134-I137 WeakPolarHBondContact O-CB 3.24Å; K134-I137 PolarHBondContact O-N 3.25Å; I137-K139 VanDerWaalsContact C-N 3.33Å; I137-K139 PolarHBondContact O-N 3.3Å; I137-D140 WeakPolarHBondContact O-CB 3.43Å; I137-D140 PolarHBondContact O-N 3.47Å; I137-D140 VanDerWaalsContact O-N 3.14Å; I137-L141 HydrophobicContact CG2-CD1 4.15Å; I137-L141 HydrophobicContact CG2-CG 4.41Å; I137-L141 WeakPolarHBondContact O-CG 3.27Å; I137-L141 PolarHBondContact O-N 3.31Å
138	V	98.1	Very high	96.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-43.2	178.7	177.3	0	0	0	0	111	I104 F123 W126 W127 K134 R135 Q136 D140 L141 V142 L147 F182	I104-V138 HydrophobicContact CD1-CG1 4.48Å; I104-V138 HydrophobicContact CD1-CG2 3.88Å; I104-V138 HydrophobicContact CG1-CG2 4.24Å; I104-V138 HydrophobicContact CG2-CG2 4.21Å; F123-V138 HydrophobicContact CE2-CG1 4.49Å; F123-V138 HydrophobicContact CZ-CG1 4.14Å; W126-V138 HydrophobicContact CH2-CG2 3.6Å; W126-V138 HydrophobicContact CZ3-CG2 3.84Å; W127-V138 HydrophobicContact CE3-CG1 4.46Å; W127-V138 HydrophobicContact CZ3-CB 3.88Å; W127-V138 HydrophobicContact CZ3-CG1 3.84Å; W127-V138 HydrophobicContact CZ3-CG2 4.38Å; K134-V138 VanDerWaalsContact O-CG2 3.3Å; K134-V138 WeakPolarHBondContact O-CG2 3.33Å; K134-V138 PolarHBondContact O-N 3.09Å; R135-V138 PolarHBondContact O-N 3.32Å; Q136-V138 VanDerWaalsContact C-N 3.31Å; Q136-V138 PolarHBondContact O-N 2.8Å; V138-D140 VanDerWaalsContact C-N 3.3Å; V138-D140 PolarHBondContact O-N 2.89Å; V138-L141 PolarHBondContact O-N 3.06Å; V138-V142 WeakPolarHBondContact O-CG2 3.38Å; V138-V142 PolarHBondContact O-N 2.95Å; V138-L147 HydrophobicContact CG1-CD2 3.99Å; V138-F182 HydrophobicContact CG1-CE1 3.95Å; V138-F182 HydrophobicContact CG1-CZ 3.98Å
139	K	96.2	Very high	96.4	Very high	62 Å²	62	40.8 Å²	40.8	27%	0.27	23%	0.233	S	C	.	.	H	α-helix	trans	-56.9	-44.7	174.1	-71.4	178.8	177.5	-166.7	0	111.7	W127 R135 Q136 I137 L141 V142 E143 L181 F182	W127-K139 HydrophobicContact CH2-CG 4.34Å; R135-K139 WeakPolarHBondContact O-CG 3.48Å; R135-K139 PolarHBondContact O-N 3.48Å; Q136-K139 WeakPolarHBondContact O-CB 3.22Å; Q136-K139 PolarHBondContact O-N 2.83Å; I137-K139 VanDerWaalsContact C-N 3.33Å; I137-K139 PolarHBondContact O-N 3.3Å; K139-L141 VanDerWaalsContact C-N 3.33Å; K139-L141 PolarHBondContact O-N 3.25Å; K139-V142 PolarHBondContact O-N 2.69Å; K139-E143 WeakPolarHBondContact O-CB 3.38Å; K139-E143 WeakPolarHBondContact O-CG 3.32Å; K139-E143 PolarHBondContact O-N 2.98Å; K139-L181 WeakPolarHBondContact CE-O 3.2Å; K139-F182 HydrophobicContact CG-CD1 3.91Å; K139-F182 HydrophobicContact CG-CE1 3.82Å
140	D	95.8	Very high	96.7	Very high	31 Å²	31	37.9 Å²	37.9	17%	0.166	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-37	178.3	-64.3	-0.1	0	0	0	112.3	K42 Q136 I137 V138 S144	K42-D140 IonicContact NZ-OD1 2.62Å; K42-D140 PolarHBondContact NZ-OD1 2.75Å; K42-D140 IonicContact NZ-OD2 2.75Å; K42-D140 PolarHBondContact NZ-OD2 2.62Å; Q136-D140 PolarHBondContact NE2-OD1 3.35Å; Q136-D140 VanDerWaalsContact O-CG 3.24Å; Q136-D140 PolarHBondContact O-N 2.74Å; Q136-D140 VanDerWaalsContact O-OD1 3.14Å; I137-D140 WeakPolarHBondContact O-CB 3.43Å; I137-D140 PolarHBondContact O-N 3.47Å; I137-D140 VanDerWaalsContact O-N 3.14Å; V138-D140 VanDerWaalsContact C-N 3.3Å; V138-D140 PolarHBondContact O-N 2.89Å; D140-S144 WeakPolarHBondContact O-CB 3.22Å; D140-S144 PolarHBondContact O-N 3.21Å; D140-S144 PolarHBondContact O-OG 3.46Å
141	L	97.5	Very high	96.7	Very high	6 Å²	6	36 Å²	36	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-67.6	-37.4	175.7	-67.7	176.4	0	0	0	112.2	I104 L107 V108 I137 V138 K139 S144 G145 Q146 L147	I104-L141 HydrophobicContact CD1-CD1 3.89Å; I104-L141 HydrophobicContact CG2-CD1 3.95Å; L107-L141 HydrophobicContact CB-CD1 3.82Å; L107-L141 HydrophobicContact CB-CD2 3.77Å; L107-L141 HydrophobicContact CB-CG 4.41Å; L107-L141 HydrophobicContact CD1-CD1 4.1Å; V108-L141 HydrophobicContact CG2-CD1 4.37Å; V108-L141 HydrophobicContact CG2-CD2 4.5Å; I137-L141 HydrophobicContact CG2-CD1 4.15Å; I137-L141 HydrophobicContact CG2-CG 4.41Å; I137-L141 WeakPolarHBondContact O-CG 3.27Å; I137-L141 PolarHBondContact O-N 3.31Å; V138-L141 PolarHBondContact O-N 3.06Å; K139-L141 VanDerWaalsContact C-N 3.33Å; K139-L141 PolarHBondContact O-N 3.25Å; L141-S144 WeakPolarHBondContact CA-OG 3.42Å; L141-S144 PolarHBondContact O-OG 3.49Å; L141-S144 VanDerWaalsContact O-OG 3.1Å; L141-G145 PolarHBondContact O-N 3.05Å; L141-Q146 HydrophobicContact CD2-CB 4.12Å; L141-Q146 VanDerWaalsContact CD2-NE2 3.31Å; L141-Q146 PolarHBondContact O-N 3.33Å; L141-L147 HydrophobicContact CB-CB 3.97Å; L141-L147 PolarHBondContact O-N 2.79Å; L141-L147 VanDerWaalsContact O-N 3.08Å
142	V	97.2	Very high	96.8	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.018	17%	0.169	C	C	.	.	H	α-helix	trans	-69.6	-45.9	174.8	174.7	0	0	0	0	111.2	V138 K139 S144 G145 L147 F149 F182 C185	V138-V142 WeakPolarHBondContact O-CG2 3.38Å; V138-V142 PolarHBondContact O-N 2.95Å; K139-V142 PolarHBondContact O-N 2.69Å; V142-S144 VanDerWaalsContact C-N 3.27Å; V142-S144 PolarHBondContact O-N 2.56Å; V142-G145 PolarHBondContact O-N 3.47Å; V142-L147 WeakPolarHBondContact CA-O 3.29Å; V142-L147 HydrophobicContact CG2-CB 4.23Å; V142-L147 HydrophobicContact CG2-CD2 3.99Å; V142-L147 HydrophobicContact CG2-CG 4.21Å; V142-F149 HydrophobicContact CG1-CE2 4.43Å; V142-F149 HydrophobicContact CG2-CE2 3.73Å; V142-F149 HydrophobicContact CG2-CZ 4.29Å; V142-F182 HydrophobicContact CB-CD1 4.1Å; V142-F182 HydrophobicContact CG1-CB 4.04Å; V142-F182 HydrophobicContact CG1-CD1 4.21Å; V142-F182 HydrophobicContact CG1-CG 4.15Å; V142-F182 HydrophobicContact CG2-CD1 3.97Å; V142-F182 HydrophobicContact CG2-CE1 4.06Å; V142-F182 HydrophobicContact CG2-CG 4.4Å; V142-C185 HydrophobicContact CG1-CB 4.19Å; V142-C185 WeakPolarHBondContact CG1-O 3.46Å
143	E	94.4	Very high	97	Very high	61 Å²	61	25.2 Å²	25.2	29%	0.285	13%	0.134	S	C	.	.	H	α-helix	trans	-61.5	-34	177.6	-76.3	177.7	-175.4	0	0	113.1	P47 C49 K139 G145	P47-E143 HydrophobicContact CB-CB 3.94Å; P47-E143 WeakPolarHBondContact CB-O 3.4Å; P47-E143 HydrophobicContact CG-CB 4.05Å; P47-E143 HydrophobicContact CG-CG 4.33Å; C49-E143 WeakPolarHBondContact CB-O 3.18Å; K139-E143 WeakPolarHBondContact O-CB 3.38Å; K139-E143 WeakPolarHBondContact O-CG 3.32Å; K139-E143 PolarHBondContact O-N 2.98Å; E143-G145 VanDerWaalsContact C-N 3.3Å
144	S	94	Very high	97.2	Very high	48 Å²	48	22.6 Å²	22.6	34%	0.336	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-7	175.5	56.4	0	0	0	0	114.2	D140 L141 V142 Q146	D140-S144 WeakPolarHBondContact O-CB 3.22Å; D140-S144 PolarHBondContact O-N 3.21Å; D140-S144 PolarHBondContact O-OG 3.46Å; L141-S144 WeakPolarHBondContact CA-OG 3.42Å; L141-S144 PolarHBondContact O-OG 3.49Å; L141-S144 VanDerWaalsContact O-OG 3.1Å; V142-S144 VanDerWaalsContact C-N 3.27Å; V142-S144 PolarHBondContact O-N 2.56Å; S144-Q146 PolarHBondContact O-N 2.92Å; S144-Q146 PolarHBondContact OG-NE2 3.23Å
145	G	95.3	Very high	97.2	Very high	6 Å²	6	21 Å²	21	6%	0.062	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	17.7	-175.1	0	0	0	0	0	113.9	R114 L141 V142 E143	R114-G145 WeakPolarHBondContact CD-O 3.31Å; R114-G145 PolarHBondContact NE-O 3.48Å; L141-G145 PolarHBondContact O-N 3.05Å; V142-G145 PolarHBondContact O-N 3.47Å; E143-G145 VanDerWaalsContact C-N 3.3Å
146	Q	96.8	Very high	97.3	Very high	20 Å²	20	18 Å²	18	9%	0.093	9%	0.092	C	C	.	.	S	Bend	trans	-77	-44.8	174.5	-71.5	-172.1	93.3	0	0	112	L107 D110 P111 R114 F115 L141 S144	L107-Q146 HydrophobicContact CD2-CB 4.46Å; L107-Q146 PolarHBondContact O-OE1 3.26Å; L107-Q146 VanDerWaalsContact O-OE1 3.08Å; D110-Q146 PolarHBondContact O-OE1 3.17Å; D110-Q146 VanDerWaalsContact O-OE1 3.14Å; P111-Q146 PolarHBondContact O-OE1 3.08Å; R114-Q146 CarbonylContact C-O 3.55Å; R114-Q146 VanDerWaalsContact CA-O 3.27Å; R114-Q146 WeakPolarHBondContact CA-O 3.32Å; F115-Q146 PolarHBondContact N-O 3.47Å; L141-Q146 HydrophobicContact CD2-CB 4.12Å; L141-Q146 VanDerWaalsContact CD2-NE2 3.31Å; L141-Q146 PolarHBondContact O-N 3.33Å; S144-Q146 PolarHBondContact O-N 2.92Å; S144-Q146 PolarHBondContact OG-NE2 3.23Å
147	L	98.2	Very high	97.4	Very high	5 Å²	5	16 Å²	16	3%	0.026	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.2	166.5	179.5	63.1	0	0	0	107.6	I104 L107 F115 V138 L141 V142 F149	I104-L147 HydrophobicContact CD1-CD2 3.85Å; L107-L147 HydrophobicContact CD1-CB 3.92Å; L107-L147 HydrophobicContact CD1-CD1 4.39Å; F115-L147 HydrophobicContact CB-CD1 4.29Å; F115-L147 HydrophobicContact CD1-CD1 4.21Å; V138-L147 HydrophobicContact CG1-CD2 3.99Å; L141-L147 HydrophobicContact CB-CB 3.97Å; L141-L147 PolarHBondContact O-N 2.79Å; L141-L147 VanDerWaalsContact O-N 3.08Å; V142-L147 WeakPolarHBondContact CA-O 3.29Å; V142-L147 HydrophobicContact CG2-CB 4.23Å; V142-L147 HydrophobicContact CG2-CD2 3.99Å; V142-L147 HydrophobicContact CG2-CG 4.21Å; L147-F149 HydrophobicContact CD2-CZ 4.34Å
148	Q	97.9	Very high	97.5	Very high	18 Å²	18	13.2 Å²	13.2	8%	0.084	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.3	176	-170.6	168.5	42.6	0	0	110.5	F115 T116 Y117 T355	F115-Q148 PolarHBondContact O-N 3.1Å; T116-Q148 VanDerWaalsContact CA-O 3.32Å; T116-Q148 WeakPolarHBondContact CA-O 3.32Å; Y117-Q148 PolarHBondContact N-O 3.33Å; Q148-T355 HydrophobicContact CB-CG2 4.01Å; Q148-T355 PolarHBondContact OE1-OG1 3.41Å
149	F	98.6	Very high	97.5	Very high	5 Å²	5	13.3 Å²	13.3	2%	0.022	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	138.5	173.2	-59.1	-73.6	0	0	0	111.1	Y117 M120 F123 V142 L147 L178 F182 P188	Y117-F149 HydrophobicContact CD1-CE1 4.38Å; Y117-F149 CarbonylContact O-C 3.51Å; Y117-F149 WeakPolarHBondContact O-CA 3.45Å; M120-F149 HydrophobicContact CE-CD1 3.67Å; M120-F149 HydrophobicContact CE-CE1 3.92Å; F123-F149 HydrophobicContact CD2-CE1 4.07Å; F123-F149 HydrophobicContact CD2-CZ 4.46Å; F123-F149 HydrophobicContact CE1-CE1 4.47Å; F123-F149 HydrophobicContact CE1-CZ 4.15Å; F123-F149 AromaticContact CE2-CE1 3.93Å; F123-F149 HydrophobicContact CE2-CE1 3.93Å; F123-F149 AromaticContact CE2-CZ 3.89Å; F123-F149 HydrophobicContact CE2-CZ 3.89Å; F123-F149 HydrophobicContact CG-CE1 4.4Å; F123-F149 HydrophobicContact CZ-CE1 4.14Å; F123-F149 AromaticContact CZ-CZ 3.72Å; F123-F149 HydrophobicContact CZ-CZ 3.72Å; V142-F149 HydrophobicContact CG1-CE2 4.43Å; V142-F149 HydrophobicContact CG2-CE2 3.73Å; V142-F149 HydrophobicContact CG2-CZ 4.29Å; L147-F149 HydrophobicContact CD2-CZ 4.34Å; F149-L178 HydrophobicContact CB-CD1 4.16Å; F149-L178 HydrophobicContact CD1-CD2 4.05Å; F149-L178 HydrophobicContact CD2-CD1 4.45Å; F149-L178 HydrophobicContact CD2-CD2 3.56Å; F149-L178 HydrophobicContact CE1-CD2 4.02Å; F149-L178 HydrophobicContact CE2-CD2 3.52Å; F149-L178 HydrophobicContact CG-CD1 4.2Å; F149-L178 HydrophobicContact CG-CD2 3.82Å; F149-L178 HydrophobicContact CZ-CD2 3.76Å; F149-F182 AromaticContact CE2-CD2 3.74Å; F149-F182 HydrophobicContact CE2-CD2 3.74Å; F149-F182 AromaticContact CE2-CE2 3.72Å; F149-F182 HydrophobicContact CE2-CE2 3.72Å; F149-F182 HydrophobicContact CE2-CG 4.42Å; F149-F182 HydrophobicContact CE2-CZ 4.39Å; F149-F182 HydrophobicContact CZ-CD2 4.28Å; F149-F182 AromaticContact CZ-CE2 3.77Å; F149-F182 HydrophobicContact CZ-CE2 3.77Å; F149-F182 HydrophobicContact CZ-CZ 4.28Å; F149-P188 HydrophobicContact CB-CG 4.03Å; F149-P188 WeakPolarHBondContact O-CA 3.5Å
150	A	98.5	Very high	97.6	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.008	6%	0.057	C	C	.	.	S	Bend	trans	-119	148.2	166.7	0	0	0	0	0	108.6	T116 Y117 V118 G152 V190 W192	T116-A150 HydrophobicContact CG2-CB 3.69Å; Y117-A150 PolarHBondContact O-N 3.49Å; V118-A150 CarbonylContact C-O 3.56Å; V118-A150 VanDerWaalsContact CA-O 3.27Å; V118-A150 WeakPolarHBondContact CA-O 3.27Å; V118-A150 VanDerWaalsContact O-O 3.07Å; A150-G152 PolarHBondContact O-N 3.17Å; A150-V190 HydrophobicContact CB-CG2 4.14Å; A150-W192 HydrophobicContact CB-CB 3.86Å; A150-W192 HydrophobicContact CB-CG 4.27Å
151	L	98.6	Very high	97.7	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	5%	0.051	C	C	.	.	S	Bend	trans	59.2	-68.3	-169.3	-173.7	70	0	0	0	114	V118 G153 M156 L171 V190 A191 W192 F207 F212	V118-L151 HydrophobicContact CG1-CB 3.83Å; V118-L151 HydrophobicContact CG1-CD2 4.08Å; L151-G153 PolarHBondContact O-N 3.38Å; L151-M156 HydrophobicContact CD2-CB 4.32Å; L151-M156 HydrophobicContact CD2-CG 4.48Å; L151-L171 HydrophobicContact CD1-CD1 4.11Å; L151-L171 HydrophobicContact CG-CD1 4.41Å; L151-V190 PolarHBondContact N-O 3.03Å; L151-A191 HydrophobicContact CD1-CB 4.46Å; L151-W192 HydrophobicContact CB-CB 4.22Å; L151-F207 HydrophobicContact CD1-CE1 3.82Å; L151-F207 HydrophobicContact CD1-CZ 4.09Å; L151-F212 VanDerWaalsContact O-CZ 3.3Å; L151-F212 WeakPolarHBondContact O-CZ 3.01Å
152	G	98.3	Very high	97.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.			trans	65.9	24.2	-178.5	0	0	0	0	0	114.3	V118 A150 G174 R175	V118-G152 WeakPolarHBondContact O-CA 3.35Å; V118-G152 PolarHBondContact O-N 2.87Å; V118-G152 VanDerWaalsContact O-N 3.11Å; A150-G152 PolarHBondContact O-N 3.17Å; G152-G174 CarbonylContact O-C 3.45Å; G152-G174 WeakPolarHBondContact O-CA 3.44Å; G152-R175 PolarHBondContact O-N 3Å
153	G	98.5	Very high	97.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-74.5	168.8	167.2	0	0	0	0	0	111.6	M120 L151 S155	M120-G153 WeakPolarHBondContact CB-O 3.36Å; M120-G153 WeakPolarHBondContact CG-O 3.49Å; M120-G153 PolarHBondContact N-O 3.17Å; L151-G153 PolarHBondContact O-N 3.38Å; G153-S155 PolarHBondContact O-N 3.23Å
154	W	98.6	Very high	97.9	Very high	11 Å²	11	6 Å²	6	4%	0.042	4%	0.035	C	C	.	.	S	Bend	trans	-62	-38.5	170.8	-157.1	-97.6	0	0	0	111.2	M120 T121 M124 Q170 R173 V177 K446	M120-W154 HydrophobicContact CB-CE3 4.07Å; M120-W154 HydrophobicContact CB-CZ3 4.3Å; M120-W154 PolarHBondContact N-O 3.45Å; T121-W154 WeakPolarHBondContact CB-O 3.06Å; T121-W154 PolarHBondContact N-O 3.39Å; T121-W154 VanDerWaalsContact N-O 3.09Å; T121-W154 PolarHBondContact OG1-NE1 3.34Å; T121-W154 PolarHBondContact OG1-O 2.97Å; M124-W154 HydrophobicContact CB-CH2 4.02Å; M124-W154 HydrophobicContact CG-CH2 4.1Å; M124-W154 HydrophobicContact CG-CZ3 4.21Å; W154-Q170 HydrophobicContact CB-CB 4.24Å; W154-Q170 PolarHBondContact N-O 2.99Å; W154-Q170 VanDerWaalsContact N-O 3.14Å; W154-R173 HydrophobicContact CD2-CG 4.44Å; W154-R173 HydrophobicContact CE3-CG 3.72Å; W154-R173 HydrophobicContact CZ3-CG 4.11Å; W154-V177 HydrophobicContact CZ3-CG2 4.23Å; W154-K446 HydrophobicContact CD2-CB 4.45Å; W154-K446 HydrophobicContact CD2-CG 4.23Å; W154-K446 HydrophobicContact CE3-CG 4.41Å; W154-K446 HydrophobicContact CH2-CB 4.43Å; W154-K446 HydrophobicContact CH2-CD 3.74Å; W154-K446 VanDerWaalsContact CH2-CE 3.42Å; W154-K446 HydrophobicContact CH2-CG 3.59Å; W154-K446 HydrophobicContact CZ2-CB 3.67Å; W154-K446 HydrophobicContact CZ2-CD 3.63Å; W154-K446 HydrophobicContact CZ2-CG 3.31Å; W154-K446 HydrophobicContact CZ3-CG 4.11Å; W154-K446 PolarHBondContact NE1-O 2.82Å
155	S	98.6	Very high	98	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.02	C	C	.	.	S	Bend	trans	-141.6	167.9	170.4	65.3	0	0	0	0	111.7	E119 G153 A157 Q170 G449 H453	E119-S155 WeakPolarHBondContact OE1-CA 3.31Å; G153-S155 PolarHBondContact O-N 3.23Å; S155-A157 PolarHBondContact O-N 3.18Å; S155-Q170 PolarHBondContact O-NE2 2.83Å; S155-Q170 PolarHBondContact O-OE1 3.41Å; S155-G449 WeakPolarHBondContact CB-O 3.4Å; S155-G449 PolarHBondContact OG-O 3Å; S155-H453 PolarHBondContact OG-N 2.83Å
156	M	98.5	Very high	98.2	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.019	C	C	.	.			trans	-76.8	93.6	165.4	-172.5	-179.9	-56	0	0	108.1	V118 E119 L151 I194 D195 P196 H453 H454	V118-M156 HydrophobicContact CG1-CE 4.24Å; E119-M156 VanDerWaalsContact CD-N 3.27Å; E119-M156 HydrophobicContact CG-CB 4.2Å; E119-M156 PolarHBondContact OE1-N 2.99Å; L151-M156 HydrophobicContact CD2-CB 4.32Å; L151-M156 HydrophobicContact CD2-CG 4.48Å; M156-I194 HydrophobicContact CE-CD1 4.49Å; M156-I194 HydrophobicContact CE-CG1 3.63Å; M156-I194 HydrophobicContact SD-CG1 4.11Å; M156-I194 PolarHBondContact SD-N 3Å; M156-D195 HydrophobicContact SD-CB 4.49Å; M156-P196 HydrophobicContact CG-CG 4.32Å; M156-P196 HydrophobicContact SD-CG 4.42Å; M156-H453 WeakPolarHBondContact O-CA 3.2Å; M156-H453 PolarHBondContact O-CD2 2.53Å; M156-H454 PolarHBondContact O-N 3.19Å
157	A	98.5	Very high	98.3	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	B	Isolated β-bridge	trans	-71.9	143	-171.1	0	0	0	0	0	111.9	S155 Q193 Q452	S155-A157 PolarHBondContact O-N 3.18Å; A157-Q193 PolarHBondContact O-NE2 3.32Å; A157-Q193 PolarHBondContact O-OE1 2.95Å; A157-Q452 CarbonylContact C-O 3.56Å; A157-Q452 WeakPolarHBondContact CA-O 3.45Å; A157-Q452 HydrophobicContact CB-CB 4.04Å
158	D	98.7	Very high	98.3	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.			trans	-57.2	156.8	166.8	-173.2	31.5	0	0	0	110.8	A160 T161 V162 H203 Q452 H454 V457	D158-A160 PolarHBondContact OD1-N 3.08Å; D158-A160 PolarHBondContact OD2-N 3.04Å; D158-T161 WeakPolarHBondContact OD2-CA 3.18Å; D158-T161 WeakPolarHBondContact OD2-CB 3.07Å; D158-T161 PolarHBondContact OD2-N 2.89Å; D158-T161 PolarHBondContact OD2-OG1 3.19Å; D158-V162 HydrophobicContact CB-CG2 3.81Å; D158-V162 WeakPolarHBondContact O-CB 3.29Å; D158-V162 VanDerWaalsContact O-CG2 3.29Å; D158-V162 WeakPolarHBondContact O-CG2 3.27Å; D158-H203 PolarHBondContact O-CE1 2.91Å; D158-Q452 PolarHBondContact N-O 2.8Å; D158-H454 HydrophobicContact CB-CB 4.27Å; D158-V457 HydrophobicContact CB-CG1 3.68Å
159	E	98.4	Very high	98.3	Very high	1 Å²	1	3.5 Å²	3.5	1%	0.005	2%	0.019	C	C	.	.	S	Bend	trans	-114.7	-8.6	178.2	-59.9	-167.9	-135.3	0	0	113.3	Q193 P196 H199 S200 H203 F381	E159-Q193 WeakPolarHBondContact OE1-CG 3.33Å; E159-P196 HydrophobicContact CG-CB 4.49Å; E159-H199 IonicContact OE1-CE1 2.63Å; E159-H199 IonicContact OE1-CG 2.73Å; E159-H199 IonicContact OE1-ND1 3.16Å; E159-H199 PolarHBondContact OE1-ND1 3.36Å; E159-H199 VanDerWaalsContact OE2-CA 3.27Å; E159-H199 WeakPolarHBondContact OE2-CA 3.31Å; E159-S200 WeakPolarHBondContact O-CB 3.27Å; E159-S200 PolarHBondContact OE2-N 3.12Å; E159-H203 HydrophobicContact CB-CB 4.4Å; E159-H203 HydrophobicContact CG-CB 4.17Å; E159-F381 HydrophobicContact CB-CZ 4.29Å
160	A	98.2	Very high	98.3	Very high	1 Å²	1	3.5 Å²	3.5	1%	0.008	2%	0.019	C	C	.	.	S	Bend	trans	-104	-25.9	-178.3	0	0	0	0	0	114.7	D158 F381 Y394 Y395 P877 I879	D158-A160 PolarHBondContact OD1-N 3.08Å; D158-A160 PolarHBondContact OD2-N 3.04Å; A160-F381 HydrophobicContact CB-CE1 3.74Å; A160-F381 HydrophobicContact CB-CE2 4.37Å; A160-F381 HydrophobicContact CB-CZ 3.58Å; A160-Y394 HydrophobicContact CB-CE2 3.6Å; A160-Y394 WeakPolarHBondContact CB-OH 3.43Å; A160-Y395 HydrophobicContact CB-CD1 3.94Å; A160-Y395 HydrophobicContact CB-CE1 3.85Å; A160-P877 HydrophobicContact CB-CB 4.16Å; A160-P877 HydrophobicContact CB-CG 3.76Å; A160-P877 WeakPolarHBondContact O-CB 3.38Å; A160-I879 WeakPolarHBondContact O-CD1 3.44Å; A160-I879 WeakPolarHBondContact O-CG1 3.33Å
161	T	98.2	Very high	98.3	Very high	6 Å²	6	3.7 Å²	3.7	4%	0.037	2%	0.02	C	C	.	.	S	Bend	trans	-126	-0.9	-172.4	63.6	0	0	0	0	112.9	D158 Y394 V457 S458 A913	D158-T161 WeakPolarHBondContact OD2-CA 3.18Å; D158-T161 WeakPolarHBondContact OD2-CB 3.07Å; D158-T161 PolarHBondContact OD2-N 2.89Å; D158-T161 PolarHBondContact OD2-OG1 3.19Å; T161-Y394 HydrophobicContact CG2-CD2 4.18Å; T161-Y394 HydrophobicContact CG2-CE2 4.2Å; T161-V457 PolarHBondContact OG1-O 2.79Å; T161-S458 PolarHBondContact OG1-N 2.82Å; T161-A913 HydrophobicContact CG2-CB 4.09Å
162	V	96.8	Very high	98.3	Very high	1 Å²	1	3.7 Å²	3.7	1%	0.006	2%	0.02	C	C	.	.			trans	-85.1	137.8	173.9	174	0	0	0	0	110.6	D158 D166 A167 Q452 V457	D158-V162 HydrophobicContact CB-CG2 3.81Å; D158-V162 WeakPolarHBondContact O-CB 3.29Å; D158-V162 VanDerWaalsContact O-CG2 3.29Å; D158-V162 WeakPolarHBondContact O-CG2 3.27Å; V162-D166 HydrophobicContact CG1-CB 4.42Å; V162-A167 HydrophobicContact CG1-CB 3.69Å; V162-Q452 HydrophobicContact CG2-CB 4.37Å; V162-V457 HydrophobicContact CG2-CB 4.48Å; V162-V457 HydrophobicContact CG2-CG1 3.45Å; V162-V457 VanDerWaalsContact CG2-CG1 3.45Å; V162-V457 HydrophobicContact CG2-CG2 4.5Å
163	Y	98	Very high	98.3	Very high	1 Å²	1	3.9 Å²	3.9	0%	0.004	2%	0.021	C	C	.	.			trans	-86	137.4	167.7	175.5	-107.3	0	0	0	110.9	A165 D166 A167 R406 I879 Q979	Y163-A165 VanDerWaalsContact C-N 3.25Å; Y163-A165 HydrophobicContact CD1-CB 3.64Å; Y163-A165 HydrophobicContact CE1-CB 3.43Å; Y163-A165 VanDerWaalsContact CE1-CB 3.43Å; Y163-A165 PolarHBondContact O-N 3.09Å; Y163-D166 WeakPolarHBondContact O-CB 3.41Å; Y163-D166 PolarHBondContact O-N 3.12Å; Y163-A167 PolarHBondContact O-N 2.91Å; Y163-R406 VanDerWaalsContact CG-CZ 3.48Å; Y163-I879 HydrophobicContact CD2-CG2 4.28Å; Y163-Q979 PolarHBondContact OH-OE1 2.63Å
164	Y	97.8	Very high	98.3	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-54	-34.6	-169.4	76.6	-73.3	0	0	0	115.2	D166 A167 I168 S844 R846 L1018 E1044 I1133	Y164-D166 VanDerWaalsContact C-N 3.32Å; Y164-D166 PolarHBondContact O-N 3.47Å; Y164-A167 PolarHBondContact O-N 3.24Å; Y164-I168 HydrophobicContact CD2-CD1 3.96Å; Y164-I168 WeakPolarHBondContact O-CD1 3.18Å; Y164-I168 VanDerWaalsContact O-CG1 3.22Å; Y164-I168 WeakPolarHBondContact O-CG1 3.34Å; Y164-I168 PolarHBondContact O-N 3.14Å; Y164-S844 WeakPolarHBondContact CB-O 3.29Å; Y164-S844 PolarHBondContact N-O 3.43Å; Y164-R846 HydrophobicContact CD1-CB 4.15Å; Y164-R846 HydrophobicContact CD2-CG 4.27Å; Y164-R846 HydrophobicContact CE2-CG 4.38Å; Y164-R846 HydrophobicContact CG-CB 4.11Å; Y164-R846 HydrophobicContact CG-CG 4.32Å; Y164-L1018 HydrophobicContact CD2-CD1 4.37Å; Y164-L1018 HydrophobicContact CE2-CD1 3.56Å; Y164-L1018 HydrophobicContact CE2-CD2 3.9Å; Y164-L1018 HydrophobicContact CE2-CG 4.4Å; Y164-E1044 WeakPolarHBondContact CE2-OE2 3.31Å; Y164-E1044 PolarHBondContact OH-OE2 3.41Å; Y164-I1133 HydrophobicContact CD2-CD1 4.3Å; Y164-I1133 HydrophobicContact CE2-CD1 4.18Å
165	A	97.8	Very high	98.2	Very high	3 Å²	3	3.4 Å²	3.4	3%	0.025	2%	0.019	C	C	.	.	H	α-helix	trans	-63	-40.4	176.4	0	0	0	0	0	111.8	Y163 I168 D169 L1018	Y163-A165 VanDerWaalsContact C-N 3.25Å; Y163-A165 HydrophobicContact CD1-CB 3.64Å; Y163-A165 HydrophobicContact CE1-CB 3.43Å; Y163-A165 VanDerWaalsContact CE1-CB 3.43Å; Y163-A165 PolarHBondContact O-N 3.09Å; A165-I168 WeakPolarHBondContact O-CB 3.36Å; A165-I168 PolarHBondContact O-N 3.47Å; A165-D169 VanDerWaalsContact O-CG 3.31Å; A165-D169 PolarHBondContact O-N 3.41Å; A165-L1018 HydrophobicContact CB-CD1 3.7Å
166	D	98.5	Very high	98.1	Very high	7 Å²	7	3.6 Å²	3.6	4%	0.037	2%	0.02	C	C	.	.	H	α-helix	trans	-70.8	-36	-179.5	-55.6	-42.4	0	0	0	110.9	V162 Y163 Y164 I168 D169 Q170 R406 S409 Q452	V162-D166 HydrophobicContact CG1-CB 4.42Å; Y163-D166 WeakPolarHBondContact O-CB 3.41Å; Y163-D166 PolarHBondContact O-N 3.12Å; Y164-D166 VanDerWaalsContact C-N 3.32Å; Y164-D166 PolarHBondContact O-N 3.47Å; D166-I168 VanDerWaalsContact C-N 3.34Å; D166-D169 PolarHBondContact O-N 3.48Å; D166-Q170 WeakPolarHBondContact O-CG 3.33Å; D166-Q170 PolarHBondContact O-N 3.35Å; D166-Q170 VanDerWaalsContact O-N 3.12Å; D166-R406 IonicContact OD2-NH1 3.77Å; D166-R406 PolarHBondContact OD2-NH1 2.83Å; D166-R406 VanDerWaalsContact OD2-NH1 3.12Å; D166-S409 WeakPolarHBondContact OD1-CB 3.36Å; D166-S409 PolarHBondContact OD1-OG 3.17Å; D166-Q452 HydrophobicContact CB-CG 4.18Å; D166-Q452 VanDerWaalsContact CB-OE1 3.27Å
167	A	98.4	Very high	97.9	Very high	4 Å²	4	3.6 Å²	3.6	3%	0.033	2%	0.02	C	C	.	.	H	α-helix	trans	-61.2	-41.2	170	0	0	0	0	0	112.2	V162 Y163 Y164 L171 L206	V162-A167 HydrophobicContact CG1-CB 3.69Å; Y163-A167 PolarHBondContact O-N 2.91Å; Y164-A167 PolarHBondContact O-N 3.24Å; A167-L171 VanDerWaalsContact O-CB 3.25Å; A167-L171 WeakPolarHBondContact O-CB 3.24Å; A167-L171 PolarHBondContact O-N 3.01Å; A167-L206 HydrophobicContact CB-CD1 4.25Å
168	I	98.7	Very high	97.9	Very high	2 Å²	2	3.7 Å²	3.7	1%	0.01	2%	0.02	C	C	.	.	H	α-helix	trans	-66.6	-47.2	177.6	-69.2	163.9	0	0	0	110.5	Y164 A165 D166 L171 T172 L206 L1018 L1079 I1133	Y164-I168 HydrophobicContact CD2-CD1 3.96Å; Y164-I168 WeakPolarHBondContact O-CD1 3.18Å; Y164-I168 VanDerWaalsContact O-CG1 3.22Å; Y164-I168 WeakPolarHBondContact O-CG1 3.34Å; Y164-I168 PolarHBondContact O-N 3.14Å; A165-I168 WeakPolarHBondContact O-CB 3.36Å; A165-I168 PolarHBondContact O-N 3.47Å; D166-I168 VanDerWaalsContact C-N 3.34Å; I168-L171 PolarHBondContact O-N 2.92Å; I168-T172 VanDerWaalsContact O-CB 3.24Å; I168-T172 WeakPolarHBondContact O-CB 3.39Å; I168-T172 PolarHBondContact O-N 2.82Å; I168-T172 PolarHBondContact O-OG1 2.99Å; I168-L206 HydrophobicContact CD1-CD1 4.45Å; I168-L206 HydrophobicContact CD1-CD2 4.07Å; I168-L206 HydrophobicContact CG1-CD1 4.06Å; I168-L206 HydrophobicContact CG1-CD2 4.33Å; I168-L1018 HydrophobicContact CD1-CD2 3.73Å; I168-L1079 HydrophobicContact CD1-CD1 4.01Å; I168-L1079 HydrophobicContact CD1-CD2 4.24Å; I168-L1079 HydrophobicContact CD1-CG 4.42Å; I168-L1079 HydrophobicContact CG1-CD1 4.29Å; I168-L1079 HydrophobicContact CG1-CD2 3.87Å; I168-L1079 HydrophobicContact CG1-CG 4.16Å; I168-L1079 HydrophobicContact CG2-CD1 4.29Å; I168-L1079 HydrophobicContact CG2-CG 4.17Å; I168-I1133 HydrophobicContact CD1-CD1 4.11Å
169	D	98.5	Very high	97.7	Very high	29 Å²	29	7 Å²	7	16%	0.155	4%	0.035	C	C	.	.	H	α-helix	trans	-66.2	-44.2	-173.2	-72.7	-18.9	0	0	0	111.6	A165 D166 L171 T172 R173 R1042	A165-D169 VanDerWaalsContact O-CG 3.31Å; A165-D169 PolarHBondContact O-N 3.41Å; D166-D169 PolarHBondContact O-N 3.48Å; D169-L171 PolarHBondContact O-N 3.24Å; D169-T172 PolarHBondContact O-N 3.45Å; D169-R173 WeakPolarHBondContact O-CB 3.4Å; D169-R173 PolarHBondContact O-N 3.13Å; D169-R1042 IonicContact OD1-NH1 3.54Å
170	Q	98.5	Very high	97.4	Very high	6 Å²	6	9.5 Å²	9.5	3%	0.028	5%	0.047	C	C	.	.	H	α-helix	trans	-65.6	-39.2	177.6	79.5	80	16.8	0	0	112	W154 S155 D166 R173 G174 Q452	W154-Q170 HydrophobicContact CB-CB 4.24Å; W154-Q170 PolarHBondContact N-O 2.99Å; W154-Q170 VanDerWaalsContact N-O 3.14Å; S155-Q170 PolarHBondContact O-NE2 2.83Å; S155-Q170 PolarHBondContact O-OE1 3.41Å; D166-Q170 WeakPolarHBondContact O-CG 3.33Å; D166-Q170 PolarHBondContact O-N 3.35Å; D166-Q170 VanDerWaalsContact O-N 3.12Å; Q170-R173 PolarHBondContact O-N 3.19Å; Q170-G174 PolarHBondContact O-N 2.89Å; Q170-Q452 HydrophobicContact CB-CG 4.25Å; Q170-Q452 HydrophobicContact CG-CB 4.11Å; Q170-Q452 HydrophobicContact CG-CG 4.04Å
171	L	98.7	Very high	97.2	Very high	5 Å²	5	9.9 Å²	9.9	3%	0.026	5%	0.048	C	C	.	.	H	α-helix	trans	-69	-42.6	178.1	-176.7	64.4	0	0	0	111.3	L151 A167 I168 D169 R173 G174 R175 F207 A210 F212 T1080	L151-L171 HydrophobicContact CD1-CD1 4.11Å; L151-L171 HydrophobicContact CG-CD1 4.41Å; A167-L171 VanDerWaalsContact O-CB 3.25Å; A167-L171 WeakPolarHBondContact O-CB 3.24Å; A167-L171 PolarHBondContact O-N 3.01Å; I168-L171 PolarHBondContact O-N 2.92Å; D169-L171 PolarHBondContact O-N 3.24Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 3.06Å; L171-G174 PolarHBondContact O-N 2.83Å; L171-R175 HydrophobicContact CD1-CG 4.44Å; L171-R175 WeakPolarHBondContact O-CB 3.41Å; L171-R175 WeakPolarHBondContact O-CG 3.31Å; L171-R175 PolarHBondContact O-N 3.38Å; L171-F207 HydrophobicContact CD2-CD1 4.33Å; L171-F207 HydrophobicContact CD2-CE1 4.41Å; L171-A210 HydrophobicContact CD2-CB 4.12Å; L171-F212 HydrophobicContact CD1-CE2 4.5Å; L171-F212 HydrophobicContact CD1-CZ 4.4Å; L171-F212 HydrophobicContact CD2-CE2 4.15Å; L171-T1080 HydrophobicContact CB-CG2 4.26Å; L171-T1080 HydrophobicContact CD2-CG2 3.72Å; L171-T1080 HydrophobicContact CG-CG2 3.64Å
172	T	98.6	Very high	97	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.006	5%	0.05	C	C	.	.	H	α-helix	trans	-58.2	-47.3	175	-59.9	0	0	0	0	110.1	I168 D169 G174 R175 D176 W1023 L1025 R1042	I168-T172 VanDerWaalsContact O-CB 3.24Å; I168-T172 WeakPolarHBondContact O-CB 3.39Å; I168-T172 PolarHBondContact O-N 2.82Å; I168-T172 PolarHBondContact O-OG1 2.99Å; D169-T172 PolarHBondContact O-N 3.45Å; T172-G174 PolarHBondContact O-N 2.87Å; T172-R175 PolarHBondContact O-N 2.91Å; T172-D176 VanDerWaalsContact O-CB 3.29Å; T172-D176 WeakPolarHBondContact O-CB 3.43Å; T172-D176 PolarHBondContact O-N 3.45Å; T172-W1023 HydrophobicContact CG2-CZ3 4.09Å; T172-L1025 HydrophobicContact CG2-CD1 3.81Å; T172-R1042 PolarHBondContact OG1-NH2 2.64Å
173	R	98	Very high	96.8	Very high	3 Å²	3	11.7 Å²	11.7	1%	0.011	6%	0.063	C	C	.	.	H	α-helix	trans	-61.1	-46.8	-177.3	179	60.3	-169.5	118.5	-8.2	112	W154 D169 Q170 L171 D176 V177 D442 L1025	W154-R173 HydrophobicContact CD2-CG 4.44Å; W154-R173 HydrophobicContact CE3-CG 3.72Å; W154-R173 HydrophobicContact CZ3-CG 4.11Å; D169-R173 WeakPolarHBondContact O-CB 3.4Å; D169-R173 PolarHBondContact O-N 3.13Å; Q170-R173 PolarHBondContact O-N 3.19Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 3.06Å; R173-D176 IonicContact NH1-OD2 3.42Å; R173-V177 WeakPolarHBondContact O-CG2 3.5Å; R173-V177 PolarHBondContact O-N 3.46Å; R173-D442 WeakPolarHBondContact CD-OD1 3.32Å; R173-D442 IonicContact CZ-OD1 3.25Å; R173-D442 IonicContact CZ-OD2 3.82Å; R173-D442 IonicContact NE-OD1 3.25Å; R173-D442 PolarHBondContact NE-OD1 3.44Å; R173-D442 IonicContact NE-OD2 3.35Å; R173-D442 IonicContact NH2-OD1 3.71Å; R173-D442 PolarHBondContact NH2-OD1 3.34Å; R173-D442 IonicContact NH2-OD2 3.77Å; R173-D442 PolarHBondContact NH2-OD2 3.02Å; R173-L1025 HydrophobicContact CB-CD1 4.37Å
174	G	98.1	Very high	96.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.6	-43	177.8	0	0	0	0	0	112.6	G152 Q170 L171 T172 V177 L178	G152-G174 CarbonylContact O-C 3.45Å; G152-G174 WeakPolarHBondContact O-CA 3.44Å; Q170-G174 PolarHBondContact O-N 2.89Å; L171-G174 PolarHBondContact O-N 2.83Å; T172-G174 PolarHBondContact O-N 2.87Å; G174-V177 WeakPolarHBondContact O-CB 3.23Å; G174-V177 PolarHBondContact O-N 3.1Å; G174-L178 PolarHBondContact O-N 2.8Å; G174-L178 VanDerWaalsContact O-N 3.14Å
175	R	97.8	Very high	96.3	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-73.9	-33.4	-179.5	-70.1	-175.7	63.5	172.6	-6.9	114	G152 L171 T172 V177 L178 K179 A210 T1080 D1082	G152-R175 PolarHBondContact O-N 3Å; L171-R175 HydrophobicContact CD1-CG 4.44Å; L171-R175 WeakPolarHBondContact O-CB 3.41Å; L171-R175 WeakPolarHBondContact O-CG 3.31Å; L171-R175 PolarHBondContact O-N 3.38Å; T172-R175 PolarHBondContact O-N 2.91Å; R175-V177 VanDerWaalsContact C-N 3.34Å; R175-V177 PolarHBondContact O-N 2.94Å; R175-L178 PolarHBondContact O-N 2.92Å; R175-K179 WeakPolarHBondContact O-CB 3.29Å; R175-K179 PolarHBondContact O-N 3.33Å; R175-A210 VanDerWaalsContact CZ-O 3.31Å; R175-A210 PolarHBondContact NH1-O 2.88Å; R175-A210 PolarHBondContact NH2-O 2.92Å; R175-T1080 VanDerWaalsContact CZ-OG1 3.3Å; R175-T1080 PolarHBondContact NE-OG1 2.81Å; R175-T1080 PolarHBondContact NH1-OG1 2.82Å; R175-D1082 HydrophobicContact CB-CB 4.38Å; R175-D1082 IonicContact CZ-OD1 2.81Å; R175-D1082 IonicContact CZ-OD2 3.53Å; R175-D1082 IonicContact NE-OD1 3.47Å; R175-D1082 PolarHBondContact NE-OD1 3.02Å; R175-D1082 IonicContact NE-OD2 3.24Å; R175-D1082 PolarHBondContact NE-OD2 3.4Å; R175-D1082 VanDerWaalsContact NH2-CG 3.28Å; R175-D1082 IonicContact NH2-OD1 2.78Å; R175-D1082 PolarHBondContact NH2-OD1 3.13Å; R175-D1082 VanDerWaalsContact NH2-OD1 3.1Å; R175-D1082 IonicContact NH2-OD2 2.82Å; R175-D1082 PolarHBondContact NH2-OD2 3.1Å
176	D	95.7	Very high	96.2	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.027	9%	0.092	C	C	.	.	H	α-helix	trans	-58.1	-46.6	171	175.7	34.9	0	0	0	110.7	T172 R173 L178 K179 Q180 W1023 L1025	T172-D176 VanDerWaalsContact O-CB 3.29Å; T172-D176 WeakPolarHBondContact O-CB 3.43Å; T172-D176 PolarHBondContact O-N 3.45Å; R173-D176 IonicContact NH1-OD2 3.42Å; D176-L178 PolarHBondContact O-N 3.47Å; D176-K179 PolarHBondContact O-N 3.36Å; D176-Q180 VanDerWaalsContact O-CG 3.32Å; D176-Q180 WeakPolarHBondContact O-CG 3.49Å; D176-Q180 PolarHBondContact O-N 3.44Å; D176-Q180 PolarHBondContact OD1-NE2 3.03Å; D176-Q180 PolarHBondContact OD2-NE2 2.83Å; D176-Q180 VanDerWaalsContact OD2-NE2 3.1Å; D176-W1023 HydrophobicContact CB-CH2 4.07Å; D176-W1023 HydrophobicContact CB-CZ3 4.47Å; D176-L1025 PolarHBondContact OD2-N 3.23Å
177	V	95.2	Very high	96.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-55.8	-52.7	172.7	173.3	0	0	0	0	111.3	M124 W154 R173 G174 R175 K179 Q180 L181 V1028	M124-V177 HydrophobicContact CE-CG1 3.93Å; M124-V177 HydrophobicContact CG-CG1 3.93Å; M124-V177 HydrophobicContact CG-CG2 4.46Å; M124-V177 HydrophobicContact SD-CG1 3.24Å; M124-V177 WeakPolarHBondContact SD-CG1 3.3Å; W154-V177 HydrophobicContact CZ3-CG2 4.23Å; R173-V177 WeakPolarHBondContact O-CG2 3.5Å; R173-V177 PolarHBondContact O-N 3.46Å; G174-V177 WeakPolarHBondContact O-CB 3.23Å; G174-V177 PolarHBondContact O-N 3.1Å; R175-V177 VanDerWaalsContact C-N 3.34Å; R175-V177 PolarHBondContact O-N 2.94Å; V177-K179 VanDerWaalsContact C-N 3.28Å; V177-K179 PolarHBondContact O-N 2.05Å; V177-Q180 PolarHBondContact O-N 3.08Å; V177-Q180 VanDerWaalsContact O-N 3.13Å; V177-L181 HydrophobicContact CG1-CD1 3.63Å; V177-L181 HydrophobicContact CG1-CG 4.1Å; V177-L181 WeakPolarHBondContact O-CG 3.13Å; V177-L181 PolarHBondContact O-N 2.96Å; V177-V1028 HydrophobicContact CG2-CG2 4.13Å
178	L	96.8	Very high	96	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-59.1	-42.6	-175.6	-74.8	175.1	0	0	0	111.3	M120 F149 G174 R175 D176 L181 F182 P188	M120-L178 HydrophobicContact CE-CD1 4.21Å; M120-L178 HydrophobicContact CE-CD2 4.15Å; M120-L178 HydrophobicContact CE-CG 4.45Å; M120-L178 HydrophobicContact CG-CD1 4.45Å; M120-L178 HydrophobicContact CG-CG 4.39Å; M120-L178 HydrophobicContact SD-CD1 3.95Å; M120-L178 HydrophobicContact SD-CD2 3.51Å; M120-L178 VanDerWaalsContact SD-CD2 3.51Å; M120-L178 HydrophobicContact SD-CG 3.64Å; F149-L178 HydrophobicContact CB-CD1 4.16Å; F149-L178 HydrophobicContact CD1-CD2 4.05Å; F149-L178 HydrophobicContact CD2-CD1 4.45Å; F149-L178 HydrophobicContact CD2-CD2 3.56Å; F149-L178 HydrophobicContact CE1-CD2 4.02Å; F149-L178 HydrophobicContact CE2-CD2 3.52Å; F149-L178 HydrophobicContact CG-CD1 4.2Å; F149-L178 HydrophobicContact CG-CD2 3.82Å; F149-L178 HydrophobicContact CZ-CD2 3.76Å; G174-L178 PolarHBondContact O-N 2.8Å; G174-L178 VanDerWaalsContact O-N 3.14Å; R175-L178 PolarHBondContact O-N 2.92Å; D176-L178 PolarHBondContact O-N 3.47Å; L178-L181 PolarHBondContact O-N 3.42Å; L178-F182 HydrophobicContact CD2-CD2 3.85Å; L178-F182 HydrophobicContact CD2-CE2 3.97Å; L178-F182 WeakPolarHBondContact O-CB 3.46Å; L178-F182 PolarHBondContact O-N 2.7Å; L178-P188 HydrophobicContact CD1-CG 3.68Å
179	K	94.7	Very high	96	Very high	70 Å²	70	18 Å²	18	30%	0.304	10%	0.097	S	C	.	.	H	α-helix	trans	-61.3	-45.2	175.6	-177	65	177.1	-150	0	111.8	R175 D176 V177 L181 G183 D184 D1082	R175-K179 WeakPolarHBondContact O-CB 3.29Å; R175-K179 PolarHBondContact O-N 3.33Å; D176-K179 PolarHBondContact O-N 3.36Å; V177-K179 VanDerWaalsContact C-N 3.28Å; V177-K179 PolarHBondContact O-N 2.05Å; K179-L181 PolarHBondContact O-N 3.25Å; K179-G183 VanDerWaalsContact O-CA 3.28Å; K179-G183 WeakPolarHBondContact O-CA 3.31Å; K179-G183 PolarHBondContact O-N 2.86Å; K179-D184 IonicContact NZ-OD1 2.66Å; K179-D184 PolarHBondContact NZ-OD1 3.14Å; K179-D1082 HydrophobicContact CB-CB 4.14Å; K179-D1082 HydrophobicContact CG-CB 4.45Å; K179-D1082 PolarHBondContact NZ-O 2.96Å
180	Q	92.6	Very high	96	Very high	54 Å²	54	16.8 Å²	16.8	25%	0.252	9%	0.09	S	C	.	.	H	α-helix	trans	-65.3	-36	179.1	-71.6	-178.5	49.8	0	0	112.9	D176 V177 N1026	D176-Q180 VanDerWaalsContact O-CG 3.32Å; D176-Q180 WeakPolarHBondContact O-CG 3.49Å; D176-Q180 PolarHBondContact O-N 3.44Å; D176-Q180 PolarHBondContact OD1-NE2 3.03Å; D176-Q180 PolarHBondContact OD2-NE2 2.83Å; D176-Q180 VanDerWaalsContact OD2-NE2 3.1Å; V177-Q180 PolarHBondContact O-N 3.08Å; V177-Q180 VanDerWaalsContact O-N 3.13Å; Q180-N1026 PolarHBondContact NE2-O 3.31Å; Q180-N1026 PolarHBondContact OE1-O 3.04Å
181	L	93.6	Very high	96	Very high	8 Å²	8	16.5 Å²	16.5	4%	0.042	9%	0.089	C	C	.	.	H	α-helix	trans	-84.3	-37.2	-176.6	-67.2	-176.2	0	0	0	113.7	F123 M124 W127 K139 V177 L178 K179 V1028	F123-L181 HydrophobicContact CE1-CD1 4.42Å; M124-L181 HydrophobicContact CE-CD1 4.46Å; M124-L181 HydrophobicContact SD-CD1 3.86Å; W127-L181 HydrophobicContact CD2-CD1 4.1Å; W127-L181 HydrophobicContact CG-CD1 4.31Å; W127-L181 HydrophobicContact CZ2-CD1 4.21Å; W127-L181 HydrophobicContact CZ2-CD2 3.84Å; W127-L181 HydrophobicContact CZ2-CG 4.48Å; K139-L181 WeakPolarHBondContact CE-O 3.2Å; V177-L181 HydrophobicContact CG1-CD1 3.63Å; V177-L181 HydrophobicContact CG1-CG 4.1Å; V177-L181 WeakPolarHBondContact O-CG 3.13Å; V177-L181 PolarHBondContact O-N 2.96Å; L178-L181 PolarHBondContact O-N 3.42Å; K179-L181 PolarHBondContact O-N 3.25Å; L181-V1028 HydrophobicContact CD2-CB 4.49Å; L181-V1028 HydrophobicContact CD2-CG1 3.94Å; L181-V1028 HydrophobicContact CG-CG1 4.39Å
182	F	94.6	Very high	96	Very high	19 Å²	19	16.2 Å²	16.2	8%	0.083	9%	0.087	C	C	.	.	H	α-helix	trans	-129.6	-0.4	-165.5	-56	-65.8	0	0	0	114.5	F123 W127 V138 K139 V142 F149 L178 C185 G186	F123-F182 AromaticContact CE1-CE2 3.8Å; F123-F182 HydrophobicContact CE1-CE2 3.8Å; F123-F182 AromaticContact CE1-CZ 3.92Å; F123-F182 HydrophobicContact CE1-CZ 3.92Å; F123-F182 AromaticContact CZ-CE2 3.94Å; F123-F182 HydrophobicContact CZ-CE2 3.94Å; F123-F182 AromaticContact CZ-CZ 3.71Å; F123-F182 HydrophobicContact CZ-CZ 3.71Å; W127-F182 HydrophobicContact CE3-CZ 4.31Å; W127-F182 HydrophobicContact CH2-CE1 4.09Å; W127-F182 HydrophobicContact CH2-CZ 4.07Å; W127-F182 HydrophobicContact CZ3-CE1 4.05Å; W127-F182 AromaticContact CZ3-CZ 3.76Å; W127-F182 HydrophobicContact CZ3-CZ 3.76Å; V138-F182 HydrophobicContact CG1-CE1 3.95Å; V138-F182 HydrophobicContact CG1-CZ 3.98Å; K139-F182 HydrophobicContact CG-CD1 3.91Å; K139-F182 HydrophobicContact CG-CE1 3.82Å; V142-F182 HydrophobicContact CB-CD1 4.1Å; V142-F182 HydrophobicContact CG1-CB 4.04Å; V142-F182 HydrophobicContact CG1-CD1 4.21Å; V142-F182 HydrophobicContact CG1-CG 4.15Å; V142-F182 HydrophobicContact CG2-CD1 3.97Å; V142-F182 HydrophobicContact CG2-CE1 4.06Å; V142-F182 HydrophobicContact CG2-CG 4.4Å; F149-F182 AromaticContact CE2-CD2 3.74Å; F149-F182 HydrophobicContact CE2-CD2 3.74Å; F149-F182 AromaticContact CE2-CE2 3.72Å; F149-F182 HydrophobicContact CE2-CE2 3.72Å; F149-F182 HydrophobicContact CE2-CG 4.42Å; F149-F182 HydrophobicContact CE2-CZ 4.39Å; F149-F182 HydrophobicContact CZ-CD2 4.28Å; F149-F182 AromaticContact CZ-CE2 3.77Å; F149-F182 HydrophobicContact CZ-CE2 3.77Å; F149-F182 HydrophobicContact CZ-CZ 4.28Å; L178-F182 HydrophobicContact CD2-CD2 3.85Å; L178-F182 HydrophobicContact CD2-CE2 3.97Å; L178-F182 WeakPolarHBondContact O-CB 3.46Å; L178-F182 PolarHBondContact O-N 2.7Å; F182-C185 PolarHBondContact O-N 3.47Å; F182-G186 PolarHBondContact O-N 2.7Å
183	G	92.4	Very high	96	Very high	27 Å²	27	16.2 Å²	16.2	28%	0.278	9%	0.087	S	C	.	.	G	3₁₀ helix	trans	59	-146.2	-178.4	0	0	0	0	0	112.8	K179 C185 G186	K179-G183 VanDerWaalsContact O-CA 3.28Å; K179-G183 WeakPolarHBondContact O-CA 3.31Å; K179-G183 PolarHBondContact O-N 2.86Å; G183-C185 PolarHBondContact O-N 2.95Å; G183-G186 PolarHBondContact O-N 2.75Å
184	D	91.8	Very high	96	Very high	72 Å²	72	16.1 Å²	16.1	39%	0.385	9%	0.087	S	C	.	.	G	3₁₀ helix	trans	-63	-25.6	-179.3	-77.5	6.1	0	0	0	113.5	K179 R187 R1091	K179-D184 IonicContact NZ-OD1 2.66Å; K179-D184 PolarHBondContact NZ-OD1 3.14Å; D184-R187 PolarHBondContact O-N 3.46Å; D184-R1091 IonicContact OD2-NH1 3Å; D184-R1091 IonicContact OD2-NH2 3.25Å
185	C	94.2	Very high	95.9	Very high	34 Å²	34	16.5 Å²	16.5	23%	0.23	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-76.4	-24.6	-178.3	-63.3	0	0	0	0	113.3	C49 V142 F182 G183 R187	C49-C185 HydrophobicContact CB-CB 3.52Å; C49-C185 WeakPolarHBondContact CB-SG 3.27Å; C49-C185 WeakPolarHBondContact SG-CA 3.45Å; C49-C185 WeakPolarHBondContact SG-CB 3.44Å; C49-C185 CovalentContact SG-SG 2.04Å; C49-C185 PolarHBondContact SG-SG 3.42Å; V142-C185 HydrophobicContact CG1-CB 4.19Å; V142-C185 WeakPolarHBondContact CG1-O 3.46Å; F182-C185 PolarHBondContact O-N 3.47Å; G183-C185 PolarHBondContact O-N 2.95Å; C185-R187 VanDerWaalsContact C-N 3.32Å
186	G	95.2	Very high	96	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.01	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-84.4	-3.8	175.2	0	0	0	0	0	114.4	F182 G183 P188	F182-G186 PolarHBondContact O-N 2.7Å; G183-G186 PolarHBondContact O-N 2.75Å; G186-P188 VanDerWaalsContact O-CD 3.27Å; G186-P188 WeakPolarHBondContact O-CD 3.44Å
187	R	95.3	Very high	96	Very high	30 Å²	30	16.3 Å²	16.3	11%	0.113	9%	0.088	C	C	.	.			trans	-68.3	122.1	-177.9	-172.6	-177.2	65.8	-138.2	12.4	110.5	D184 C185 L189 E1083 R1091	D184-R187 PolarHBondContact O-N 3.46Å; C185-R187 VanDerWaalsContact C-N 3.32Å; R187-L189 PolarHBondContact O-N 2.86Å; R187-E1083 VanDerWaalsContact CZ-CD 3.49Å; R187-E1083 IonicContact CZ-OE1 3.48Å; R187-E1083 VanDerWaalsContact CZ-OE1 3.25Å; R187-E1083 IonicContact CZ-OE2 2.72Å; R187-E1083 VanDerWaalsContact CZ-OE2 3.24Å; R187-E1083 IonicContact NE-OE2 3.06Å; R187-E1083 PolarHBondContact NE-OE2 2.9Å; R187-E1083 IonicContact NH1-OE1 2.99Å; R187-E1083 PolarHBondContact NH1-OE1 3.41Å; R187-E1083 IonicContact NH1-OE2 3.86Å; R187-E1083 PolarHBondContact NH1-OE2 2.62Å; R187-E1083 IonicContact NH2-OE1 3.35Å; R187-E1083 PolarHBondContact NH2-OE1 3.34Å; R187-E1083 IonicContact NH2-OE2 2.74Å; R187-R1091 VanDerWaalsContact NH1-NH1 3.11Å
188	P	97.8	Very high	96.1	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	9%	0.088	C	C	.	.			trans	-61.6	132.1	170.3	-22.7	35.5	0	0	0	111.2	F149 L178 G186 F212	F149-P188 HydrophobicContact CB-CG 4.03Å; F149-P188 WeakPolarHBondContact O-CA 3.5Å; L178-P188 HydrophobicContact CD1-CG 3.68Å; G186-P188 VanDerWaalsContact O-CD 3.27Å; G186-P188 WeakPolarHBondContact O-CD 3.44Å; P188-F212 HydrophobicContact CB-CE1 3.82Å
189	L	97.5	Very high	96.2	Very high	12 Å²	12	16.3 Å²	16.3	6%	0.063	9%	0.088	C	C	.	.			trans	-98.2	-17.3	-179.9	-59.7	178.2	0	0	0	113	Y51 R187 D213 A357	Y51-L189 HydrophobicContact CD1-CD1 3.95Å; Y51-L189 HydrophobicContact CD2-CD1 4.06Å; Y51-L189 HydrophobicContact CE1-CB 4.44Å; Y51-L189 HydrophobicContact CE1-CD1 3.87Å; Y51-L189 HydrophobicContact CE2-CD1 3.96Å; Y51-L189 HydrophobicContact CG-CD1 4.05Å; R187-L189 PolarHBondContact O-N 2.86Å; L189-D213 PolarHBondContact O-N 2.72Å; L189-A357 HydrophobicContact CB-CB 4.04Å; L189-A357 HydrophobicContact CD1-CB 4.13Å
190	V	98.7	Very high	96.3	Very high	2 Å²	2	13 Å²	13	1%	0.012	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.9	-178.7	-52.6	0	0	0	0	110.5	A150 L151 F212 A214 Y216 P356 A357 T360	A150-V190 HydrophobicContact CB-CG2 4.14Å; L151-V190 PolarHBondContact N-O 3.03Å; V190-F212 VanDerWaalsContact C-CE1 3.47Å; V190-F212 WeakPolarHBondContact O-CE1 3.47Å; V190-A214 CarbonylContact C-O 3.57Å; V190-A214 WeakPolarHBondContact CA-O 3.3Å; V190-A214 HydrophobicContact CB-CB 4.19Å; V190-A214 HydrophobicContact CG1-CB 3.87Å; V190-Y216 HydrophobicContact CB-CD2 4.32Å; V190-Y216 HydrophobicContact CB-CE2 4.01Å; V190-Y216 HydrophobicContact CG1-CE2 4.18Å; V190-Y216 HydrophobicContact CG2-CD2 4.2Å; V190-Y216 HydrophobicContact CG2-CE2 4.05Å; V190-P356 HydrophobicContact CG2-CB 3.68Å; V190-A357 HydrophobicContact CG1-CB 4.22Å; V190-T360 WeakPolarHBondContact CG1-OG1 3.4Å
191	A	98.6	Very high	96.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	149.7	168.5	0	0	0	0	0	110.1	L151 F207 F212 A214 V215 Y216	L151-A191 HydrophobicContact CD1-CB 4.46Å; A191-F207 HydrophobicContact CB-CB 4.41Å; A191-F207 HydrophobicContact CB-CD1 4.13Å; A191-F207 HydrophobicContact CB-CD2 3.71Å; A191-F207 HydrophobicContact CB-CE1 4.3Å; A191-F207 HydrophobicContact CB-CE2 3.91Å; A191-F207 HydrophobicContact CB-CG 3.84Å; A191-F207 HydrophobicContact CB-CZ 4.18Å; A191-F212 HydrophobicContact CB-CD1 4.41Å; A191-F212 HydrophobicContact CB-CD2 4.14Å; A191-F212 HydrophobicContact CB-CE2 4.36Å; A191-F212 HydrophobicContact CB-CG 4.16Å; A191-A214 PolarHBondContact N-O 3.46Å; A191-V215 HydrophobicContact CB-CB 4.05Å; A191-V215 HydrophobicContact CB-CG2 3.92Å; A191-Y216 PolarHBondContact O-N 2.89Å
192	W	98.6	Very high	96.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	96.7	-174.9	-166.6	-96.5	0	0	0	108.1	V67 V118 A150 L151 I194 Y216 F256 M312 L314 P356	V67-W192 HydrophobicContact CG1-CH2 4.38Å; V118-W192 HydrophobicContact CG1-CB 4.12Å; V118-W192 HydrophobicContact CG1-CG 4.33Å; V118-W192 HydrophobicContact CG2-CG 4.14Å; A150-W192 HydrophobicContact CB-CB 3.86Å; A150-W192 HydrophobicContact CB-CG 4.27Å; L151-W192 HydrophobicContact CB-CB 4.22Å; W192-I194 HydrophobicContact CD2-CG2 3.79Å; W192-I194 HydrophobicContact CE3-CG2 4.49Å; W192-I194 HydrophobicContact CG-CG2 4.01Å; W192-I194 HydrophobicContact CZ2-CG2 3.82Å; W192-I194 VanDerWaalsContact NE1-CD1 3.35Å; W192-I194 VanDerWaalsContact NE1-CG2 3.32Å; W192-Y216 AromaticContact CE3-CD2 3.85Å; W192-Y216 HydrophobicContact CE3-CD2 3.85Å; W192-Y216 AromaticContact CE3-CG 3.84Å; W192-Y216 HydrophobicContact CE3-CG 3.84Å; W192-Y216 HydrophobicContact CZ3-CD1 4.23Å; W192-Y216 AromaticContact CZ3-CD2 3.93Å; W192-Y216 HydrophobicContact CZ3-CD2 3.93Å; W192-Y216 AromaticContact CZ3-CG 3.65Å; W192-Y216 HydrophobicContact CZ3-CG 3.65Å; W192-F256 HydrophobicContact CH2-CE1 4.3Å; W192-F256 AromaticContact CH2-CZ 3.63Å; W192-F256 HydrophobicContact CH2-CZ 3.63Å; W192-F256 AromaticContact CZ2-CZ 3.96Å; W192-F256 HydrophobicContact CZ2-CZ 3.96Å; W192-F256 HydrophobicContact CZ3-CZ 4.03Å; W192-M312 HydrophobicContact CH2-SD 4.26Å; W192-M312 HydrophobicContact CZ3-SD 4.41Å; W192-L314 HydrophobicContact CH2-CD2 3.65Å; W192-L314 HydrophobicContact CZ2-CD2 4.05Å; W192-P356 HydrophobicContact CE3-CB 3.9Å; W192-P356 HydrophobicContact CE3-CG 3.61Å; W192-P356 HydrophobicContact CH2-CB 4.46Å; W192-P356 HydrophobicContact CH2-CG 3.63Å; W192-P356 HydrophobicContact CZ3-CB 3.54Å; W192-P356 HydrophobicContact CZ3-CG 3.12Å
193	Q	98.2	Very high	96.6	Very high	1 Å²	1	10 Å²	10	1%	0.005	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	62.1	-174.9	-76.6	-69.8	30.3	0	0	108.8	A157 E159 P196 H199 H203 F207 V215 Y216 F217	A157-Q193 PolarHBondContact O-NE2 3.32Å; A157-Q193 PolarHBondContact O-OE1 2.95Å; E159-Q193 WeakPolarHBondContact OE1-CG 3.33Å; Q193-P196 VanDerWaalsContact C-CD 3.43Å; Q193-P196 HydrophobicContact CB-CG 4.1Å; Q193-P196 WeakPolarHBondContact O-CD 3.36Å; Q193-H199 PolarHBondContact O-CE1 2.86Å; Q193-H199 VanDerWaalsContact O-CE1 3.31Å; Q193-H203 PolarHBondContact NE2-NE2 3.18Å; Q193-F207 HydrophobicContact CG-CE2 3.75Å; Q193-F207 HydrophobicContact CG-CZ 3.71Å; Q193-V215 HydrophobicContact CB-CG2 4.46Å; Q193-Y216 CarbonylContact C-O 3.51Å; Q193-Y216 PolarHBondContact N-O 3.14Å; Q193-F217 WeakPolarHBondContact O-CA 3.36Å; Q193-F217 WeakPolarHBondContact O-CB 3.23Å
194	I	98.2	Very high	96.8	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.046	C	C	.	.			trans	-81.6	-21.8	-166.3	58.4	162.4	0	0	0	114.2	H71 M156 W192 Q218 F256 Y260	H71-I194 HydrophobicContact CB-CD1 4.14Å; M156-I194 HydrophobicContact CE-CD1 4.49Å; M156-I194 HydrophobicContact CE-CG1 3.63Å; M156-I194 HydrophobicContact SD-CG1 4.11Å; M156-I194 PolarHBondContact SD-N 3Å; W192-I194 HydrophobicContact CD2-CG2 3.79Å; W192-I194 HydrophobicContact CE3-CG2 4.49Å; W192-I194 HydrophobicContact CG-CG2 4.01Å; W192-I194 HydrophobicContact CZ2-CG2 3.82Å; W192-I194 VanDerWaalsContact NE1-CD1 3.35Å; W192-I194 VanDerWaalsContact NE1-CG2 3.32Å; I194-Q218 VanDerWaalsContact O-CB 3.24Å; I194-Q218 WeakPolarHBondContact O-CB 3.2Å; I194-F256 HydrophobicContact CB-CE2 3.98Å; I194-F256 HydrophobicContact CG2-CD2 4.48Å; I194-F256 HydrophobicContact CG2-CE2 3.32Å; I194-F256 HydrophobicContact CG2-CZ 3.58Å; I194-Y260 HydrophobicContact CB-CD1 4.48Å; I194-Y260 HydrophobicContact CB-CG 4.34Å; I194-Y260 HydrophobicContact CD1-CD2 4.1Å; I194-Y260 HydrophobicContact CD1-CG 3.96Å; I194-Y260 HydrophobicContact CG1-CG 4.46Å; I194-Y260 WeakPolarHBondContact O-CD1 3.49Å
195	D	97.5	Very high	97	Very high	9 Å²	9	5.4 Å²	5.4	5%	0.048	3%	0.028	C	C	.	.	S	Bend	trans	-123.1	1.1	-178.5	-146.6	8.7	0	0	0	118.6	H71 M156 F197 R219 Y260 H454	H71-D195 IonicContact CD2-OD2 3.12Å; H71-D195 VanDerWaalsContact NE2-CB 3.28Å; H71-D195 WeakPolarHBondContact NE2-CB 3.12Å; H71-D195 IonicContact NE2-OD2 3.82Å; M156-D195 HydrophobicContact SD-CB 4.49Å; D195-F197 WeakPolarHBondContact O-CD1 3.49Å; D195-F197 VanDerWaalsContact O-CE1 3.22Å; D195-F197 WeakPolarHBondContact O-CE1 3.43Å; D195-R219 IonicContact OD1-CZ 3.38Å; D195-R219 IonicContact OD1-NE 3.04Å; D195-R219 PolarHBondContact OD1-NE 2.88Å; D195-R219 IonicContact OD1-NH2 2.86Å; D195-R219 PolarHBondContact OD1-NH2 3.23Å; D195-Y260 HydrophobicContact CB-CD1 4.48Å; D195-Y260 HydrophobicContact CB-CE1 3.92Å; D195-Y260 VanDerWaalsContact OD1-CE1 3.31Å; D195-Y260 WeakPolarHBondContact OD1-CE1 3.27Å; D195-Y260 WeakPolarHBondContact OD2-CE1 3.48Å; D195-Y260 VanDerWaalsContact OD2-CZ 3.28Å; D195-Y260 PolarHBondContact OD2-OH 2.86Å; D195-H454 WeakPolarHBondContact CB-NE2 3.48Å; D195-H454 PolarHBondContact O-CD2 3.17Å; D195-H454 VanDerWaalsContact O-CD2 3.28Å; D195-H454 IonicContact OD2-NE2 2.75Å
196	P	98.2	Very high	97.1	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.018	C	C	.	.	S	Bend	trans	-59	146.8	166.4	-23.5	33.6	0	0	0	113.5	M156 E159 Q193 G198 R219 H454	M156-P196 HydrophobicContact CG-CG 4.32Å; M156-P196 HydrophobicContact SD-CG 4.42Å; E159-P196 HydrophobicContact CG-CB 4.49Å; Q193-P196 VanDerWaalsContact C-CD 3.43Å; Q193-P196 HydrophobicContact CB-CG 4.1Å; Q193-P196 WeakPolarHBondContact O-CD 3.36Å; P196-G198 PolarHBondContact O-N 3.39Å; P196-R219 WeakPolarHBondContact O-CD 3.37Å; P196-H454 HydrophobicContact CB-CB 4.31Å; P196-H454 HydrophobicContact CG-CB 4.21Å
197	F	97.2	Very high	97.2	Very high	2 Å²	2	4.1 Å²	4.1	1%	0.009	2%	0.018	C	C	.	.	S	Bend	trans	-87.6	47.4	-171.4	-38.4	-51.9	0	0	0	113.1	D195 Y383 W391 Y394 H454 T460 Y751	D195-F197 WeakPolarHBondContact O-CD1 3.49Å; D195-F197 VanDerWaalsContact O-CE1 3.22Å; D195-F197 WeakPolarHBondContact O-CE1 3.43Å; F197-Y383 HydrophobicContact CB-CD1 4.32Å; F197-Y383 VanDerWaalsContact O-CB 3.32Å; F197-Y383 WeakPolarHBondContact O-CB 3.47Å; F197-W391 HydrophobicContact CB-CD2 4.45Å; F197-W391 HydrophobicContact CB-CE3 3.64Å; F197-W391 HydrophobicContact CB-CZ3 4.29Å; F197-W391 AromaticContact CD1-CE3 3.67Å; F197-W391 HydrophobicContact CD1-CE3 3.67Å; F197-W391 HydrophobicContact CD1-CH2 4.47Å; F197-W391 AromaticContact CD1-CZ3 3.39Å; F197-W391 HydrophobicContact CD1-CZ3 3.39Å; F197-W391 HydrophobicContact CD2-CE3 4.4Å; F197-W391 AromaticContact CE1-CZ3 3.88Å; F197-W391 HydrophobicContact CE1-CZ3 3.88Å; F197-W391 AromaticContact CG-CE3 3.61Å; F197-W391 HydrophobicContact CG-CE3 3.61Å; F197-W391 AromaticContact CG-CZ3 3.82Å; F197-W391 HydrophobicContact CG-CZ3 3.82Å; F197-Y394 HydrophobicContact CB-CD1 4.28Å; F197-Y394 HydrophobicContact CB-CE1 3.49Å; F197-Y394 VanDerWaalsContact CB-CE1 3.49Å; F197-Y394 HydrophobicContact CD2-CD1 4.06Å; F197-Y394 HydrophobicContact CD2-CD2 4.17Å; F197-Y394 AromaticContact CD2-CE1 3.93Å; F197-Y394 HydrophobicContact CD2-CE1 3.93Å; F197-Y394 HydrophobicContact CD2-CE2 4.02Å; F197-Y394 HydrophobicContact CD2-CG 4.17Å; F197-Y394 AromaticContact CD2-CZ 3.91Å; F197-Y394 HydrophobicContact CG-CE1 4.18Å; F197-Y394 PolarHBondContact O-OH 3.37Å; F197-H454 AromaticContact CE1-CD2 3.81Å; F197-H454 WeakPolarHBondContact CE2-O 3.27Å; F197-H454 AromaticContact CZ-CD2 3.52Å; F197-T460 HydrophobicContact CE2-CG2 4.01Å; F197-T460 WeakPolarHBondContact CE2-OG1 3.47Å; F197-Y751 HydrophobicContact CD1-CD1 4.49Å; F197-Y751 HydrophobicContact CD1-CE1 4.37Å; F197-Y751 HydrophobicContact CD2-CD1 4.08Å; F197-Y751 HydrophobicContact CD2-CE1 4.18Å; F197-Y751 HydrophobicContact CE1-CD1 4.36Å; F197-Y751 AromaticContact CE1-CE1 3.8Å; F197-Y751 HydrophobicContact CE1-CE1 3.8Å; F197-Y751 AromaticContact CE2-CD1 3.93Å; F197-Y751 HydrophobicContact CE2-CD1 3.93Å; F197-Y751 AromaticContact CE2-CE1 3.57Å; F197-Y751 HydrophobicContact CE2-CE1 3.57Å; F197-Y751 HydrophobicContact CG-CD1 4.37Å; F197-Y751 HydrophobicContact CZ-CD1 4.09Å; F197-Y751 AromaticContact CZ-CE1 3.38Å; F197-Y751 HydrophobicContact CZ-CE1 3.38Å
198	G	96.6	Very high	97.2	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.021	C	C	.	.	S	Bend	trans	122.6	164.8	-172	0	0	0	0	0	111.2	P196 F381	P196-G198 PolarHBondContact O-N 3.39Å; G198-F381 VanDerWaalsContact C-CE1 3.46Å; G198-F381 VanDerWaalsContact C-CZ 3.41Å; G198-F381 VanDerWaalsContact CA-CE1 3.45Å
199	H	98.1	Very high	97	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	3%	0.031	C	C	.	.			trans	-133.7	129.3	-167.1	-55.6	-72.8	0	0	0	112.2	E159 Q193 F217 R219 W238 D379 F380	E159-H199 IonicContact OE1-CE1 2.63Å; E159-H199 IonicContact OE1-CG 2.73Å; E159-H199 IonicContact OE1-ND1 3.16Å; E159-H199 PolarHBondContact OE1-ND1 3.36Å; E159-H199 VanDerWaalsContact OE2-CA 3.27Å; E159-H199 WeakPolarHBondContact OE2-CA 3.31Å; Q193-H199 PolarHBondContact O-CE1 2.86Å; Q193-H199 VanDerWaalsContact O-CE1 3.31Å; H199-F217 AromaticContact CD2-CD1 3.85Å; H199-F217 AromaticContact CD2-CD2 3.25Å; H199-F217 WeakPolarHBondContact CD2-CD2 3.48Å; H199-F217 AromaticContact CD2-CE2 3.58Å; H199-F217 AromaticContact CD2-CG 3.43Å; H199-F217 VanDerWaalsContact CD2-CG 3.43Å; H199-F217 WeakPolarHBondContact CD2-CG 3.32Å; H199-F217 WeakPolarHBondContact CE1-CB 3.27Å; H199-F217 AromaticContact CE1-CG 3.64Å; H199-F217 AromaticContact CG-CD1 3.9Å; H199-F217 AromaticContact CG-CG 3.89Å; H199-F217 AromaticContact ND1-CG 3.98Å; H199-F217 VanDerWaalsContact NE2-CB 3.26Å; H199-F217 WeakPolarHBondContact NE2-CB 3.48Å; H199-F217 AromaticContact NE2-CD2 3.22Å; H199-F217 WeakPolarHBondContact NE2-CD2 3.23Å; H199-F217 AromaticContact NE2-CG 3.27Å; H199-F217 VanDerWaalsContact NE2-CG 3.27Å; H199-F217 WeakPolarHBondContact NE2-CG 3.32Å; H199-R219 PolarHBondContact CD2-O 3.18Å; H199-R219 VanDerWaalsContact CD2-O 3.26Å; H199-R219 PolarHBondContact NE2-O 2.97Å; H199-W238 HydrophobicContact CB-CH2 3.71Å; H199-W238 HydrophobicContact CB-CZ3 4.11Å; H199-D379 WeakPolarHBondContact O-CB 3.47Å; H199-F380 HydrophobicContact CB-CB 4.16Å; H199-F380 HydrophobicContact CB-CD2 3.88Å; H199-F380 HydrophobicContact CB-CG 4.4Å; H199-F380 PolarHBondContact O-N 2.88Å
200	S	97.3	Very high	97	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.028	C	C	.	.			trans	-87.3	133.2	-177.1	166.5	0	0	0	0	111.2	E159 D202 H203 S204 S843 S844	E159-S200 WeakPolarHBondContact O-CB 3.27Å; E159-S200 PolarHBondContact OE2-N 3.12Å; S200-D202 VanDerWaalsContact C-N 3.26Å; S200-D202 PolarHBondContact O-N 3.49Å; S200-D202 PolarHBondContact OG-N 2.99Å; S200-H203 PolarHBondContact O-N 3.03Å; S200-H203 PolarHBondContact OG-N 3.46Å; S200-H203 VanDerWaalsContact OG-N 3.14Å; S200-S204 PolarHBondContact O-N 2.85Å; S200-S204 PolarHBondContact O-OG 2.54Å; S200-S843 PolarHBondContact OG-OG 3.18Å; S200-S844 WeakPolarHBondContact CB-OG 3.46Å; S200-S844 PolarHBondContact OG-OG 3.07Å
201	R	95.5	Very high	96.9	Very high	14 Å²	14	6.9 Å²	6.9	5%	0.053	4%	0.04	C	C	.	.	H	α-helix	trans	-53.4	-47	170.2	-176.5	-165	63.4	-166.6	-7.5	111.3	S204 D205 W238 T240 G378 D379 L848	R201-S204 PolarHBondContact O-N 3.47Å; R201-D205 PolarHBondContact O-N 2.85Å; R201-W238 HydrophobicContact CB-CZ2 4.47Å; R201-T240 WeakPolarHBondContact CG-O 3.25Å; R201-G378 WeakPolarHBondContact CB-O 3.31Å; R201-D379 HydrophobicContact CB-CB 4.1Å; R201-L848 PolarHBondContact NH2-O 3.02Å
202	D	95.3	Very high	96.8	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-74.9	-34.7	-174.8	-85.1	-99.9	0	0	0	112.4	S200 S204 D205 L206 S843 R846 R847	S200-D202 VanDerWaalsContact C-N 3.26Å; S200-D202 PolarHBondContact O-N 3.49Å; S200-D202 PolarHBondContact OG-N 2.99Å; D202-S204 VanDerWaalsContact C-N 3.31Å; D202-D205 VanDerWaalsContact O-CB 3.28Å; D202-D205 WeakPolarHBondContact O-CB 3.4Å; D202-D205 PolarHBondContact O-N 2.73Å; D202-L206 WeakPolarHBondContact O-CG 3.31Å; D202-L206 PolarHBondContact O-N 2.85Å; D202-S843 VanDerWaalsContact CB-O 3.31Å; D202-S843 WeakPolarHBondContact CB-O 3.4Å; D202-S843 WeakPolarHBondContact OD2-CB 3.45Å; D202-R846 HydrophobicContact CB-CB 4.49Å; D202-R847 WeakPolarHBondContact OD1-CB 3.4Å; D202-R847 IonicContact OD1-CZ 3.5Å; D202-R847 VanDerWaalsContact OD1-CZ 3.25Å; D202-R847 IonicContact OD1-NE 2.78Å; D202-R847 PolarHBondContact OD1-NE 2.8Å; D202-R847 IonicContact OD1-NH2 3.57Å; D202-R847 PolarHBondContact OD1-NH2 3.17Å; D202-R847 IonicContact OD2-NE 2.85Å; D202-R847 IonicContact OD2-NH2 3.45Å; D202-R847 PolarHBondContact OD2-NH2 3.22Å
203	H	97.5	Very high	96.7	Very high	4 Å²	4	7.5 Å²	7.5	2%	0.019	4%	0.043	C	C	.	.	H	α-helix	trans	-62.4	-41.4	170.9	-158.5	116.1	0	0	0	111.1	D158 E159 Q193 S200 D205 L206 F207	D158-H203 PolarHBondContact O-CE1 2.91Å; E159-H203 HydrophobicContact CB-CB 4.4Å; E159-H203 HydrophobicContact CG-CB 4.17Å; Q193-H203 PolarHBondContact NE2-NE2 3.18Å; S200-H203 PolarHBondContact O-N 3.03Å; S200-H203 PolarHBondContact OG-N 3.46Å; S200-H203 VanDerWaalsContact OG-N 3.14Å; H203-D205 VanDerWaalsContact C-N 3.32Å; H203-D205 PolarHBondContact O-N 3.27Å; H203-L206 VanDerWaalsContact O-CB 3.3Å; H203-L206 WeakPolarHBondContact O-CB 3.23Å; H203-L206 PolarHBondContact O-N 3.37Å; H203-L206 VanDerWaalsContact O-N 3.14Å; H203-F207 AromaticContact CD2-CE1 3.78Å; H203-F207 AromaticContact CD2-CE2 3.69Å; H203-F207 AromaticContact CD2-CZ 3.31Å; H203-F207 WeakPolarHBondContact CD2-CZ 3.33Å; H203-F207 AromaticContact NE2-CE1 3.81Å; H203-F207 AromaticContact NE2-CZ 3.47Å; H203-F207 WeakPolarHBondContact NE2-CZ 3.31Å; H203-F207 PolarHBondContact O-N 3.46Å
204	S	96.4	Very high	96.8	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-68.5	-27.3	174.6	-69.4	0	0	0	0	113.8	S200 R201 D202 L206 F207 Q208 W238	S200-S204 PolarHBondContact O-N 2.85Å; S200-S204 PolarHBondContact O-OG 2.54Å; R201-S204 PolarHBondContact O-N 3.47Å; D202-S204 VanDerWaalsContact C-N 3.31Å; S204-L206 VanDerWaalsContact C-N 3.32Å; S204-F207 WeakPolarHBondContact O-CB 3.49Å; S204-F207 PolarHBondContact O-N 3.28Å; S204-Q208 PolarHBondContact O-N 3.22Å; S204-W238 WeakPolarHBondContact OG-CH2 3.38Å; S204-W238 WeakPolarHBondContact OG-CZ3 3.23Å
205	D	95	Very high	96.8	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.011	4%	0.043	C	C	.	.	H	α-helix	trans	-63	-40.3	169.6	-160	62.5	0	0	0	111.1	R201 D202 H203 F207 Q208 D209 T240 R846 R847	R201-D205 PolarHBondContact O-N 2.85Å; D202-D205 VanDerWaalsContact O-CB 3.28Å; D202-D205 WeakPolarHBondContact O-CB 3.4Å; D202-D205 PolarHBondContact O-N 2.73Å; H203-D205 VanDerWaalsContact C-N 3.32Å; H203-D205 PolarHBondContact O-N 3.27Å; D205-F207 VanDerWaalsContact C-N 3.25Å; D205-F207 PolarHBondContact O-N 3.4Å; D205-Q208 PolarHBondContact O-N 3.11Å; D205-D209 PolarHBondContact O-N 3.14Å; D205-T240 PolarHBondContact OD1-OG1 3.49Å; D205-R846 IonicContact OD2-CZ 2.72Å; D205-R846 IonicContact OD2-NH1 3.11Å; D205-R846 PolarHBondContact OD2-NH1 3.26Å; D205-R846 IonicContact OD2-NH2 3.39Å; D205-R847 IonicContact OD1-NH2 2.81Å; D205-R847 IonicContact OD2-CZ 2.71Å; D205-R847 IonicContact OD2-NH1 3.53Å; D205-R847 IonicContact OD2-NH2 3.31Å; D205-R847 PolarHBondContact OD2-NH2 3.17Å
206	L	97.1	Very high	96.8	Very high	4 Å²	4	7 Å²	7	2%	0.021	4%	0.041	C	C	.	.	H	α-helix	trans	-62.6	-34.5	174.6	-52.4	176.1	0	0	0	111.5	A167 I168 D202 H203 S204 D209 A210 L1079 I1133	A167-L206 HydrophobicContact CB-CD1 4.25Å; I168-L206 HydrophobicContact CD1-CD1 4.45Å; I168-L206 HydrophobicContact CD1-CD2 4.07Å; I168-L206 HydrophobicContact CG1-CD1 4.06Å; I168-L206 HydrophobicContact CG1-CD2 4.33Å; D202-L206 WeakPolarHBondContact O-CG 3.31Å; D202-L206 PolarHBondContact O-N 2.85Å; H203-L206 VanDerWaalsContact O-CB 3.3Å; H203-L206 WeakPolarHBondContact O-CB 3.23Å; H203-L206 PolarHBondContact O-N 3.37Å; H203-L206 VanDerWaalsContact O-N 3.14Å; S204-L206 VanDerWaalsContact C-N 3.32Å; L206-D209 PolarHBondContact O-N 2.99Å; L206-A210 VanDerWaalsContact O-CB 3.28Å; L206-A210 WeakPolarHBondContact O-CB 3.18Å; L206-A210 PolarHBondContact O-N 3.39Å; L206-L1079 HydrophobicContact CB-CD2 3.72Å; L206-L1079 HydrophobicContact CD2-CD2 3.97Å; L206-L1079 HydrophobicContact CG-CD2 4.38Å; L206-L1079 WeakPolarHBondContact O-CD2 3.45Å; L206-I1133 HydrophobicContact CD2-CD1 4.12Å
207	F	97.8	Very high	96.8	Very high	3 Å²	3	7 Å²	7	1%	0.013	4%	0.041	C	C	.	.	H	α-helix	trans	-63.9	-40.9	174.6	-66.6	-31.2	0	0	0	112.7	L151 L171 A191 Q193 H203 S204 D205 A210 G211 F212 V215 L251	L151-F207 HydrophobicContact CD1-CE1 3.82Å; L151-F207 HydrophobicContact CD1-CZ 4.09Å; L171-F207 HydrophobicContact CD2-CD1 4.33Å; L171-F207 HydrophobicContact CD2-CE1 4.41Å; A191-F207 HydrophobicContact CB-CB 4.41Å; A191-F207 HydrophobicContact CB-CD1 4.13Å; A191-F207 HydrophobicContact CB-CD2 3.71Å; A191-F207 HydrophobicContact CB-CE1 4.3Å; A191-F207 HydrophobicContact CB-CE2 3.91Å; A191-F207 HydrophobicContact CB-CG 3.84Å; A191-F207 HydrophobicContact CB-CZ 4.18Å; Q193-F207 HydrophobicContact CG-CE2 3.75Å; Q193-F207 HydrophobicContact CG-CZ 3.71Å; H203-F207 AromaticContact CD2-CE1 3.78Å; H203-F207 AromaticContact CD2-CE2 3.69Å; H203-F207 AromaticContact CD2-CZ 3.31Å; H203-F207 WeakPolarHBondContact CD2-CZ 3.33Å; H203-F207 AromaticContact NE2-CE1 3.81Å; H203-F207 AromaticContact NE2-CZ 3.47Å; H203-F207 WeakPolarHBondContact NE2-CZ 3.31Å; H203-F207 PolarHBondContact O-N 3.46Å; S204-F207 WeakPolarHBondContact O-CB 3.49Å; S204-F207 PolarHBondContact O-N 3.28Å; D205-F207 VanDerWaalsContact C-N 3.25Å; D205-F207 PolarHBondContact O-N 3.4Å; F207-A210 CarbonylContact O-C 3.54Å; F207-A210 PolarHBondContact O-N 3.07Å; F207-G211 PolarHBondContact O-N 3.2Å; F207-F212 HydrophobicContact CB-CB 4.36Å; F207-F212 HydrophobicContact CB-CD2 3.63Å; F207-F212 HydrophobicContact CB-CE2 4.41Å; F207-F212 HydrophobicContact CB-CG 4.41Å; F207-F212 AromaticContact CD1-CD2 3.85Å; F207-F212 HydrophobicContact CD1-CD2 3.85Å; F207-F212 AromaticContact CD1-CE2 3.75Å; F207-F212 HydrophobicContact CD1-CE2 3.75Å; F207-F212 HydrophobicContact CE1-CE2 4.47Å; F207-F212 HydrophobicContact CG-CD2 4.02Å; F207-F212 HydrophobicContact CG-CE2 4.38Å; F207-F212 WeakPolarHBondContact O-CB 3.45Å; F207-F212 VanDerWaalsContact O-CD2 3.25Å; F207-F212 WeakPolarHBondContact O-CD2 3.41Å; F207-F212 PolarHBondContact O-N 3.35Å; F207-V215 HydrophobicContact CD2-CG2 4.25Å; F207-V215 HydrophobicContact CE2-CG2 4.19Å; F207-L251 HydrophobicContact CB-CD2 4.15Å
208	Q	93.9	Very high	96.8	Very high	36 Å²	36	8 Å²	8	17%	0.168	5%	0.045	C	C	.	.	H	α-helix	trans	-63.4	-44.3	173.8	-69.1	-170.2	49.9	0	0	111.6	S204 D205 A210 G211 T240 L251	S204-Q208 PolarHBondContact O-N 3.22Å; D205-Q208 PolarHBondContact O-N 3.11Å; Q208-A210 PolarHBondContact O-N 2.98Å; Q208-G211 WeakPolarHBondContact O-CA 3.22Å; Q208-G211 PolarHBondContact O-N 2.82Å; Q208-T240 PolarHBondContact NE2-OG1 2.7Å; Q208-L251 HydrophobicContact CG-CB 3.87Å; Q208-L251 HydrophobicContact CG-CD1 4.11Å; Q208-L251 HydrophobicContact CG-CD2 4.33Å; Q208-L251 HydrophobicContact CG-CG 4.34Å
209	D	94.4	Very high	96.8	Very high	43 Å²	43	9.9 Å²	9.9	23%	0.23	5%	0.052	C	C	.	.	H	α-helix	trans	-66.4	-24.9	177.6	-76.3	-14.4	0	0	0	112.3	D205 L206 G211 L1079	D205-D209 PolarHBondContact O-N 3.14Å; L206-D209 PolarHBondContact O-N 2.99Å; D209-G211 VanDerWaalsContact C-N 3.28Å; D209-L1079 HydrophobicContact CB-CB 4.03Å; D209-L1079 HydrophobicContact CB-CD2 4.03Å; D209-L1079 WeakPolarHBondContact O-CB 3.36Å; D209-L1079 PolarHBondContact O-N 2.88Å
210	A	97.1	Very high	96.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-5.1	170.9	0	0	0	0	0	113.4	L171 R175 L206 F207 Q208 F212 L1079 T1080	L171-A210 HydrophobicContact CD2-CB 4.12Å; R175-A210 VanDerWaalsContact CZ-O 3.31Å; R175-A210 PolarHBondContact NH1-O 2.88Å; R175-A210 PolarHBondContact NH2-O 2.92Å; L206-A210 VanDerWaalsContact O-CB 3.28Å; L206-A210 WeakPolarHBondContact O-CB 3.18Å; L206-A210 PolarHBondContact O-N 3.39Å; F207-A210 CarbonylContact O-C 3.54Å; F207-A210 PolarHBondContact O-N 3.07Å; Q208-A210 PolarHBondContact O-N 2.98Å; A210-F212 HydrophobicContact CB-CD2 4.05Å; A210-F212 HydrophobicContact CB-CE2 4Å; A210-L1079 HydrophobicContact CB-CB 4.31Å; A210-T1080 HydrophobicContact CB-CG2 3.92Å
211	G	95.6	Very high	96.7	Very high	25 Å²	25	10.2 Å²	10.2	26%	0.258	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	22.5	175.2	0	0	0	0	0	115.3	F207 Q208 D209	F207-G211 PolarHBondContact O-N 3.2Å; Q208-G211 WeakPolarHBondContact O-CA 3.22Å; Q208-G211 PolarHBondContact O-N 2.82Å; D209-G211 VanDerWaalsContact C-N 3.28Å
212	F	97.6	Very high	96.7	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.018	7%	0.066	C	C	.	.			trans	-75.9	141.9	173.3	-68	-67.6	0	0	0	112.2	L151 L171 P188 V190 A191 F207 A210	L151-F212 VanDerWaalsContact O-CZ 3.3Å; L151-F212 WeakPolarHBondContact O-CZ 3.01Å; L171-F212 HydrophobicContact CD1-CE2 4.5Å; L171-F212 HydrophobicContact CD1-CZ 4.4Å; L171-F212 HydrophobicContact CD2-CE2 4.15Å; P188-F212 HydrophobicContact CB-CE1 3.82Å; V190-F212 VanDerWaalsContact C-CE1 3.47Å; V190-F212 WeakPolarHBondContact O-CE1 3.47Å; A191-F212 HydrophobicContact CB-CD1 4.41Å; A191-F212 HydrophobicContact CB-CD2 4.14Å; A191-F212 HydrophobicContact CB-CE2 4.36Å; A191-F212 HydrophobicContact CB-CG 4.16Å; F207-F212 HydrophobicContact CB-CB 4.36Å; F207-F212 HydrophobicContact CB-CD2 3.63Å; F207-F212 HydrophobicContact CB-CE2 4.41Å; F207-F212 HydrophobicContact CB-CG 4.41Å; F207-F212 AromaticContact CD1-CD2 3.85Å; F207-F212 HydrophobicContact CD1-CD2 3.85Å; F207-F212 AromaticContact CD1-CE2 3.75Å; F207-F212 HydrophobicContact CD1-CE2 3.75Å; F207-F212 HydrophobicContact CE1-CE2 4.47Å; F207-F212 HydrophobicContact CG-CD2 4.02Å; F207-F212 HydrophobicContact CG-CE2 4.38Å; F207-F212 WeakPolarHBondContact O-CB 3.45Å; F207-F212 VanDerWaalsContact O-CD2 3.25Å; F207-F212 WeakPolarHBondContact O-CD2 3.41Å; F207-F212 PolarHBondContact O-N 3.35Å; A210-F212 HydrophobicContact CB-CD2 4.05Å; A210-F212 HydrophobicContact CB-CE2 4Å
213	D	97.3	Very high	96.7	Very high	8 Å²	8	14.1 Å²	14.1	4%	0.043	7%	0.071	C	C	.	.	S	Bend	trans	-89.4	-21	175.9	-73.2	-54.3	0	0	0	113.2	Y51 L189 R1092 L1093	Y51-D213 WeakPolarHBondContact CE2-OD2 3.46Å; Y51-D213 VanDerWaalsContact OH-CB 3.23Å; Y51-D213 WeakPolarHBondContact OH-CB 3.32Å; Y51-D213 VanDerWaalsContact OH-CG 3.25Å; Y51-D213 PolarHBondContact OH-OD2 3.18Å; L189-D213 PolarHBondContact O-N 2.72Å; D213-R1092 VanDerWaalsContact OD1-CA 3.23Å; D213-R1092 WeakPolarHBondContact OD1-CA 3.49Å; D213-R1092 VanDerWaalsContact OD1-CG 3.22Å; D213-R1092 WeakPolarHBondContact OD1-CG 3.29Å; D213-L1093 HydrophobicContact CB-CB 4.46Å; D213-L1093 HydrophobicContact CB-CD1 4.15Å; D213-L1093 HydrophobicContact CB-CG 4.27Å; D213-L1093 PolarHBondContact OD1-N 3.19Å
214	A	98.4	Very high	96.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	161.3	-177.6	0	0	0	0	0	113.2	V190 A191 Y216 F252 T360	V190-A214 CarbonylContact C-O 3.57Å; V190-A214 WeakPolarHBondContact CA-O 3.3Å; V190-A214 HydrophobicContact CB-CB 4.19Å; V190-A214 HydrophobicContact CG1-CB 3.87Å; A191-A214 PolarHBondContact N-O 3.46Å; A214-Y216 HydrophobicContact CB-CE2 3.89Å; A214-F252 CarbonylContact C-O 3.55Å; A214-F252 WeakPolarHBondContact CA-O 3.25Å; A214-F252 HydrophobicContact CB-CB 4.2Å; A214-F252 HydrophobicContact CB-CD1 3.71Å; A214-F252 HydrophobicContact CB-CG 4.45Å; A214-F252 WeakPolarHBondContact CB-O 3.29Å; A214-T360 HydrophobicContact CB-CG2 3.64Å
215	V	98.6	Very high	96.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.9	166.2	63.7	0	0	0	0	110.4	A191 Q193 F207 F217 W238 L251 F252 T253 S254	A191-V215 HydrophobicContact CB-CB 4.05Å; A191-V215 HydrophobicContact CB-CG2 3.92Å; Q193-V215 HydrophobicContact CB-CG2 4.46Å; F207-V215 HydrophobicContact CD2-CG2 4.25Å; F207-V215 HydrophobicContact CE2-CG2 4.19Å; V215-F217 HydrophobicContact CG2-CD1 4.45Å; V215-W238 HydrophobicContact CG1-CE3 4.3Å; V215-L251 HydrophobicContact CB-CD2 3.87Å; V215-L251 HydrophobicContact CB-CG 4.37Å; V215-L251 HydrophobicContact CG1-CD2 3.6Å; V215-L251 HydrophobicContact CG1-CG 3.96Å; V215-F252 PolarHBondContact N-O 3.28Å; V215-T253 HydrophobicContact CG1-CG2 4.14Å; V215-T253 VanDerWaalsContact CG1-OG1 3.27Å; V215-T253 WeakPolarHBondContact CG1-OG1 2.96Å; V215-T253 WeakPolarHBondContact O-CA 3.45Å; V215-S254 PolarHBondContact O-N 3.01Å; V215-S254 VanDerWaalsContact O-N 3.1Å
216	Y	98.7	Very high	96.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.8	177.3	-66.8	-88.4	0	0	0	109.7	V190 A191 W192 Q193 A214 S254 F256 M312 P356 Y359 T360	V190-Y216 HydrophobicContact CB-CD2 4.32Å; V190-Y216 HydrophobicContact CB-CE2 4.01Å; V190-Y216 HydrophobicContact CG1-CE2 4.18Å; V190-Y216 HydrophobicContact CG2-CD2 4.2Å; V190-Y216 HydrophobicContact CG2-CE2 4.05Å; A191-Y216 PolarHBondContact O-N 2.89Å; W192-Y216 AromaticContact CE3-CD2 3.85Å; W192-Y216 HydrophobicContact CE3-CD2 3.85Å; W192-Y216 AromaticContact CE3-CG 3.84Å; W192-Y216 HydrophobicContact CE3-CG 3.84Å; W192-Y216 HydrophobicContact CZ3-CD1 4.23Å; W192-Y216 AromaticContact CZ3-CD2 3.93Å; W192-Y216 HydrophobicContact CZ3-CD2 3.93Å; W192-Y216 AromaticContact CZ3-CG 3.65Å; W192-Y216 HydrophobicContact CZ3-CG 3.65Å; Q193-Y216 CarbonylContact C-O 3.51Å; Q193-Y216 PolarHBondContact N-O 3.14Å; A214-Y216 HydrophobicContact CB-CE2 3.89Å; Y216-S254 VanDerWaalsContact CE1-CB 3.41Å; Y216-F256 AromaticContact CD1-CE1 3.89Å; Y216-F256 HydrophobicContact CD1-CE1 3.89Å; Y216-F256 HydrophobicContact CG-CE1 4.36Å; Y216-M312 HydrophobicContact CD1-CE 3.9Å; Y216-M312 HydrophobicContact CD1-SD 4.36Å; Y216-M312 HydrophobicContact CE1-CE 3.32Å; Y216-M312 HydrophobicContact CE1-SD 4.32Å; Y216-P356 HydrophobicContact CD2-CB 4.17Å; Y216-P356 HydrophobicContact CE2-CB 3.93Å; Y216-P356 PolarHBondContact OH-O 3.21Å; Y216-Y359 HydrophobicContact CE1-CD1 4.04Å; Y216-Y359 HydrophobicContact CE1-CE1 4.28Å; Y216-Y359 WeakPolarHBondContact OH-CD1 3.24Å; Y216-T360 PolarHBondContact OH-OG1 3.04Å
217	F	98.2	Very high	96.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	164.7	175	63.8	-106	0	0	0	113.4	Q193 H199 V215 M220 W238 T253 S254 M255 F256 F380	Q193-F217 WeakPolarHBondContact O-CA 3.36Å; Q193-F217 WeakPolarHBondContact O-CB 3.23Å; H199-F217 AromaticContact CD2-CD1 3.85Å; H199-F217 AromaticContact CD2-CD2 3.25Å; H199-F217 WeakPolarHBondContact CD2-CD2 3.48Å; H199-F217 AromaticContact CD2-CE2 3.58Å; H199-F217 AromaticContact CD2-CG 3.43Å; H199-F217 VanDerWaalsContact CD2-CG 3.43Å; H199-F217 WeakPolarHBondContact CD2-CG 3.32Å; H199-F217 WeakPolarHBondContact CE1-CB 3.27Å; H199-F217 AromaticContact CE1-CG 3.64Å; H199-F217 AromaticContact CG-CD1 3.9Å; H199-F217 AromaticContact CG-CG 3.89Å; H199-F217 AromaticContact ND1-CG 3.98Å; H199-F217 VanDerWaalsContact NE2-CB 3.26Å; H199-F217 WeakPolarHBondContact NE2-CB 3.48Å; H199-F217 AromaticContact NE2-CD2 3.22Å; H199-F217 WeakPolarHBondContact NE2-CD2 3.23Å; H199-F217 AromaticContact NE2-CG 3.27Å; H199-F217 VanDerWaalsContact NE2-CG 3.27Å; H199-F217 WeakPolarHBondContact NE2-CG 3.32Å; V215-F217 HydrophobicContact CG2-CD1 4.45Å; F217-M220 HydrophobicContact CE2-CB 4.43Å; F217-W238 HydrophobicContact CE1-CE3 4.32Å; F217-W238 AromaticContact CE1-CZ3 3.97Å; F217-W238 HydrophobicContact CE1-CZ3 3.97Å; F217-T253 HydrophobicContact CD1-CG2 4.08Å; F217-T253 HydrophobicContact CE1-CG2 3.2Å; F217-T253 HydrophobicContact CZ-CG2 3.62Å; F217-S254 PolarHBondContact N-O 3.48Å; F217-M255 HydrophobicContact CD2-CG 4.08Å; F217-M255 HydrophobicContact CE1-CG 4.49Å; F217-M255 HydrophobicContact CE2-CB 4.44Å; F217-M255 HydrophobicContact CE2-CG 3.3Å; F217-M255 HydrophobicContact CE2-SD 4.21Å; F217-M255 HydrophobicContact CZ-CG 3.51Å; F217-M255 HydrophobicContact CZ-SD 4.15Å; F217-M255 WeakPolarHBondContact O-CA 3.23Å; F217-F256 PolarHBondContact O-N 3.33Å; F217-F380 HydrophobicContact CE1-CD2 4.36Å; F217-F380 AromaticContact CE1-CE2 3.9Å; F217-F380 HydrophobicContact CE1-CE2 3.9Å; F217-F380 HydrophobicContact CE1-CZ 4.35Å; F217-F380 HydrophobicContact CE2-CD1 4.4Å; F217-F380 HydrophobicContact CE2-CD2 4.44Å; F217-F380 HydrophobicContact CE2-CE1 4.27Å; F217-F380 HydrophobicContact CE2-CE2 4.28Å; F217-F380 HydrophobicContact CE2-CG 4.49Å; F217-F380 HydrophobicContact CE2-CZ 4.22Å; F217-F380 HydrophobicContact CZ-CD1 4.33Å; F217-F380 AromaticContact CZ-CD2 3.82Å; F217-F380 HydrophobicContact CZ-CD2 3.82Å; F217-F380 AromaticContact CZ-CE1 3.95Å; F217-F380 HydrophobicContact CZ-CE1 3.95Å; F217-F380 AromaticContact CZ-CE2 3.35Å; F217-F380 HydrophobicContact CZ-CE2 3.35Å; F217-F380 HydrophobicContact CZ-CG 4.27Å; F217-F380 AromaticContact CZ-CZ 3.45Å; F217-F380 HydrophobicContact CZ-CZ 3.45Å; F217-F380 VanDerWaalsContact CZ-CZ 3.45Å
218	Q	97.1	Very high	96.6	Very high	22 Å²	22	20 Å²	20	10%	0.103	10%	0.101	C	C	.	.			trans	-105.8	-41.8	-174.8	166.7	48.1	29.1	0	0	113.7	I194 K225 F256 D258 S259 Y260	I194-Q218 VanDerWaalsContact O-CB 3.24Å; I194-Q218 WeakPolarHBondContact O-CB 3.2Å; Q218-K225 PolarHBondContact O-NZ 3.14Å; Q218-K225 VanDerWaalsContact OE1-NZ 3.15Å; Q218-F256 HydrophobicContact CB-CD2 3.93Å; Q218-F256 VanDerWaalsContact OE1-CB 3.23Å; Q218-D258 PolarHBondContact NE2-O 2.86Å; Q218-S259 VanDerWaalsContact CD-CA 3.44Å; Q218-Y260 HydrophobicContact CB-CD1 4.18Å; Q218-Y260 HydrophobicContact CG-CD1 4.09Å
219	R	96.4	Very high	96.7	Very high	40 Å²	40	20.7 Å²	20.7	15%	0.151	10%	0.103	C	C	.	.			trans	-91.9	122.4	-164.4	-64.8	179.6	-173.7	-104.5	10.1	111	D195 P196 H199 Y383 W391	D195-R219 IonicContact OD1-CZ 3.38Å; D195-R219 IonicContact OD1-NE 3.04Å; D195-R219 PolarHBondContact OD1-NE 2.88Å; D195-R219 IonicContact OD1-NH2 2.86Å; D195-R219 PolarHBondContact OD1-NH2 3.23Å; P196-R219 WeakPolarHBondContact O-CD 3.37Å; H199-R219 PolarHBondContact CD2-O 3.18Å; H199-R219 VanDerWaalsContact CD2-O 3.26Å; H199-R219 PolarHBondContact NE2-O 2.97Å; R219-Y383 HydrophobicContact CB-CD1 4.25Å; R219-Y383 HydrophobicContact CB-CD2 4.36Å; R219-Y383 HydrophobicContact CB-CE1 3.87Å; R219-Y383 HydrophobicContact CB-CE2 4.01Å; R219-Y383 HydrophobicContact CB-CG 4.49Å; R219-Y383 HydrophobicContact CG-CE1 4.02Å; R219-W391 VanDerWaalsContact NH1-CZ2 3.33Å
220	M	95.5	Very high	96.8	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.015	12%	0.123	C	C	.	.			trans	-155	160.2	175	62.7	170.4	-54.1	0	0	108.8	F217 F222 E224 K225 M255 F380 Y383	F217-M220 HydrophobicContact CE2-CB 4.43Å; M220-F222 PolarHBondContact O-N 2.96Å; M220-E224 HydrophobicContact CE-CB 3.57Å; M220-E224 HydrophobicContact CE-CG 3.42Å; M220-E224 VanDerWaalsContact CE-CG 3.42Å; M220-E224 WeakPolarHBondContact CE-OE2 3.42Å; M220-K225 HydrophobicContact CE-CB 4.19Å; M220-K225 HydrophobicContact CG-CB 3.8Å; M220-K225 HydrophobicContact CG-CD 3.83Å; M220-K225 HydrophobicContact CG-CG 3.99Å; M220-K225 HydrophobicContact SD-CB 3.68Å; M220-K225 HydrophobicContact SD-CD 4.16Å; M220-K225 HydrophobicContact SD-CG 3.74Å; M220-M255 HydrophobicContact CE-SD 3.85Å; M220-M255 HydrophobicContact SD-CB 4.13Å; M220-M255 HydrophobicContact SD-CG 3.91Å; M220-M255 HydrophobicContact SD-SD 3.43Å; M220-F380 HydrophobicContact CB-CD1 3.88Å; M220-F380 HydrophobicContact CB-CE1 4.33Å; M220-F380 HydrophobicContact CE-CE1 4.28Å; M220-Y383 VanDerWaalsContact O-CE2 3.23Å; M220-Y383 WeakPolarHBondContact O-CE2 3.47Å
221	D	96.8	Very high	96.8	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.027	14%	0.143	C	C	.	.			trans	-51.8	130	-178.5	-172.6	-69.1	0	0	0	111.6	R223 E224 K225 A384 W859	D221-R223 PolarHBondContact O-N 3.46Å; D221-R223 VanDerWaalsContact O-N 3.13Å; D221-R223 VanDerWaalsContact OD1-CB 3.24Å; D221-R223 WeakPolarHBondContact OD1-CB 3.44Å; D221-R223 IonicContact OD1-CZ 3.61Å; D221-R223 PolarHBondContact OD1-N 3.48Å; D221-R223 IonicContact OD1-NE 3.57Å; D221-R223 PolarHBondContact OD1-NE 3.15Å; D221-R223 IonicContact OD1-NH2 3.86Å; D221-R223 IonicContact OD2-CZ 3.61Å; D221-R223 IonicContact OD2-NE 3.72Å; D221-R223 IonicContact OD2-NH2 3.69Å; D221-R223 PolarHBondContact OD2-NH2 3.45Å; D221-E224 HydrophobicContact CB-CB 4.3Å; D221-E224 PolarHBondContact O-N 3.45Å; D221-E224 VanDerWaalsContact O-N 3.1Å; D221-K225 PolarHBondContact O-N 3.42Å; D221-A384 WeakPolarHBondContact CA-O 3.08Å; D221-W859 HydrophobicContact CB-CH2 4.01Å; D221-W859 HydrophobicContact CB-CZ2 3.59Å; D221-W859 WeakPolarHBondContact OD1-CH2 3.17Å
222	F	95.9	Very high	96.8	Very high	69 Å²	69	34.2 Å²	34.2	30%	0.303	15%	0.151	S	C	.	.	H	α-helix	trans	-57	-31.4	-174.7	77.5	-82.6	0	0	0	113.3	M220 L226 A384 G386	M220-F222 PolarHBondContact O-N 2.96Å; F222-L226 WeakPolarHBondContact O-CB 3.46Å; F222-L226 PolarHBondContact O-N 3.23Å; F222-A384 HydrophobicContact CD1-CB 4.34Å; F222-A384 PolarHBondContact N-O 3.03Å; F222-G386 VanDerWaalsContact CE1-C 3.47Å; F222-G386 WeakPolarHBondContact CE1-O 3.48Å
223	R	96	Very high	96.8	Very high	28 Å²	28	35.5 Å²	35.5	11%	0.106	16%	0.157	C	C	.	.	H	α-helix	trans	-72.9	-45	178.7	-61.4	164.7	-75.6	-158.3	-8.5	110.7	D221 L226 I227 Y390 W859 I863 F865 N866	D221-R223 PolarHBondContact O-N 3.46Å; D221-R223 VanDerWaalsContact O-N 3.13Å; D221-R223 VanDerWaalsContact OD1-CB 3.24Å; D221-R223 WeakPolarHBondContact OD1-CB 3.44Å; D221-R223 IonicContact OD1-CZ 3.61Å; D221-R223 PolarHBondContact OD1-N 3.48Å; D221-R223 IonicContact OD1-NE 3.57Å; D221-R223 PolarHBondContact OD1-NE 3.15Å; D221-R223 IonicContact OD1-NH2 3.86Å; D221-R223 IonicContact OD2-CZ 3.61Å; D221-R223 IonicContact OD2-NE 3.72Å; D221-R223 IonicContact OD2-NH2 3.69Å; D221-R223 PolarHBondContact OD2-NH2 3.45Å; R223-L226 PolarHBondContact O-N 3.22Å; R223-I227 PolarHBondContact O-N 3.25Å; R223-Y390 PolarHBondContact NH1-OH 3.32Å; R223-Y390 PolarHBondContact NH2-OH 3.33Å; R223-W859 HydrophobicContact CB-CH2 4.04Å; R223-W859 HydrophobicContact CB-CZ3 4.1Å; R223-I863 HydrophobicContact CB-CD1 4.38Å; R223-F865 VanDerWaalsContact CZ-CE2 3.44Å; R223-N866 PolarHBondContact NH1-O 3Å
224	E	95.8	Very high	96.8	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.009	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-46.2	175.7	-167.3	-168.8	173.9	0	0	110.1	M220 D221 L226 I227 R228 W859 L861	M220-E224 HydrophobicContact CE-CB 3.57Å; M220-E224 HydrophobicContact CE-CG 3.42Å; M220-E224 VanDerWaalsContact CE-CG 3.42Å; M220-E224 WeakPolarHBondContact CE-OE2 3.42Å; D221-E224 HydrophobicContact CB-CB 4.3Å; D221-E224 PolarHBondContact O-N 3.45Å; D221-E224 VanDerWaalsContact O-N 3.1Å; E224-L226 VanDerWaalsContact C-N 3.33Å; E224-L226 PolarHBondContact O-N 3.3Å; E224-I227 PolarHBondContact O-N 2.89Å; E224-R228 HydrophobicContact CG-CG 4.45Å; E224-R228 WeakPolarHBondContact O-CG 3.16Å; E224-R228 PolarHBondContact O-N 3Å; E224-R228 IonicContact OE1-CZ 3.36Å; E224-R228 VanDerWaalsContact OE1-CZ 3.24Å; E224-R228 IonicContact OE1-NE 3.18Å; E224-R228 PolarHBondContact OE1-NE 2.85Å; E224-R228 IonicContact OE1-NH2 2.77Å; E224-R228 PolarHBondContact OE1-NH2 3.39Å; E224-W859 HydrophobicContact CB-CD2 4Å; E224-W859 HydrophobicContact CB-CE3 4.08Å; E224-W859 HydrophobicContact CB-CH2 4.11Å; E224-W859 HydrophobicContact CB-CZ2 4.02Å; E224-W859 HydrophobicContact CB-CZ3 4.13Å; E224-W859 HydrophobicContact CG-CD2 4.02Å; E224-W859 HydrophobicContact CG-CE3 4.35Å; E224-W859 HydrophobicContact CG-CG 4.19Å; E224-L861 HydrophobicContact CG-CD1 3.6Å
225	K	96.2	Very high	96.8	Very high	21 Å²	21	35.2 Å²	35.2	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-57.1	-44.8	178.2	-161.6	163.3	-172.1	164.9	0	111.9	Q218 M220 D221 I227 R228 K229 F256 H257	Q218-K225 PolarHBondContact O-NZ 3.14Å; Q218-K225 VanDerWaalsContact OE1-NZ 3.15Å; M220-K225 HydrophobicContact CE-CB 4.19Å; M220-K225 HydrophobicContact CG-CB 3.8Å; M220-K225 HydrophobicContact CG-CD 3.83Å; M220-K225 HydrophobicContact CG-CG 3.99Å; M220-K225 HydrophobicContact SD-CB 3.68Å; M220-K225 HydrophobicContact SD-CD 4.16Å; M220-K225 HydrophobicContact SD-CG 3.74Å; D221-K225 PolarHBondContact O-N 3.42Å; K225-I227 PolarHBondContact O-N 3.42Å; K225-R228 PolarHBondContact O-N 2.89Å; K225-K229 WeakPolarHBondContact O-CB 3.41Å; K225-K229 WeakPolarHBondContact O-CG 3.43Å; K225-K229 PolarHBondContact O-N 3.24Å; K225-F256 WeakPolarHBondContact CE-O 3.44Å; K225-F256 PolarHBondContact NZ-O 2.56Å; K225-H257 WeakPolarHBondContact CE-O 3.48Å
226	L	95.8	Very high	96.6	Very high	83 Å²	83	35.2 Å²	35.2	44%	0.435	16%	0.156	S	C	.	.	H	α-helix	trans	-59	-44.3	178.7	179.4	65.7	0	0	0	112.3	F222 R223 E224 R230	F222-L226 WeakPolarHBondContact O-CB 3.46Å; F222-L226 PolarHBondContact O-N 3.23Å; R223-L226 PolarHBondContact O-N 3.22Å; E224-L226 VanDerWaalsContact C-N 3.33Å; E224-L226 PolarHBondContact O-N 3.3Å; L226-R230 WeakPolarHBondContact O-CG 3.21Å; L226-R230 PolarHBondContact O-N 2.7Å
227	I	96.2	Very high	96.4	Very high	28 Å²	28	35.2 Å²	35.2	14%	0.144	16%	0.156	C	C	.	.	H	α-helix	trans	-72	-43.8	179.9	-62.1	-56.5	0	0	0	111	R223 E224 K225 K229 R230 L231 L861 I863	R223-I227 PolarHBondContact O-N 3.25Å; E224-I227 PolarHBondContact O-N 2.89Å; K225-I227 PolarHBondContact O-N 3.42Å; I227-K229 VanDerWaalsContact C-N 3.31Å; I227-K229 PolarHBondContact O-N 2.94Å; I227-R230 WeakPolarHBondContact O-CB 3.44Å; I227-R230 PolarHBondContact O-N 2.91Å; I227-L231 HydrophobicContact CG2-CD1 3.67Å; I227-L231 HydrophobicContact CG2-CG 4.12Å; I227-L231 WeakPolarHBondContact O-CG 3.22Å; I227-L231 PolarHBondContact O-N 2.59Å; I227-L861 HydrophobicContact CB-CD1 4.14Å; I227-L861 HydrophobicContact CG2-CB 4.39Å; I227-L861 HydrophobicContact CG2-CD1 4.01Å; I227-L861 HydrophobicContact CG2-CD2 4.24Å; I227-L861 HydrophobicContact CG2-CG 4.45Å; I227-I863 HydrophobicContact CG1-CD1 4.03Å
228	R	96.4	Very high	96.2	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.015	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-39	177.1	-72.2	-172.2	-179.6	-71.9	-10.7	112.6	E224 K225 R230 L231 K232 Q233 L234 W859 L861	E224-R228 HydrophobicContact CG-CG 4.45Å; E224-R228 WeakPolarHBondContact O-CG 3.16Å; E224-R228 PolarHBondContact O-N 3Å; E224-R228 IonicContact OE1-CZ 3.36Å; E224-R228 VanDerWaalsContact OE1-CZ 3.24Å; E224-R228 IonicContact OE1-NE 3.18Å; E224-R228 PolarHBondContact OE1-NE 2.85Å; E224-R228 IonicContact OE1-NH2 2.77Å; E224-R228 PolarHBondContact OE1-NH2 3.39Å; K225-R228 PolarHBondContact O-N 2.89Å; R228-R230 VanDerWaalsContact C-N 3.32Å; R228-R230 PolarHBondContact O-N 3.02Å; R228-L231 PolarHBondContact O-N 2.92Å; R228-K232 PolarHBondContact O-N 2.84Å; R228-Q233 HydrophobicContact CB-CB 4.27Å; R228-Q233 WeakPolarHBondContact CD-O 3.43Å; R228-Q233 HydrophobicContact CG-CB 4.24Å; R228-Q233 PolarHBondContact NH1-O 2.9Å; R228-Q233 PolarHBondContact O-N 2.95Å; R228-L234 HydrophobicContact CB-CD2 3.94Å; R228-W859 PolarHBondContact NH2-O 3.04Å; R228-L861 HydrophobicContact CG-CD1 4.12Å
229	K	96.8	Very high	96	Very high	49 Å²	49	34.4 Å²	34.4	21%	0.213	15%	0.152	C	C	.	.	H	α-helix	trans	-56.5	-44.9	171.2	-79.1	-176.6	178.3	-161	0	111.8	K225 I227 L234 H257 D258 A305	K225-K229 WeakPolarHBondContact O-CB 3.41Å; K225-K229 WeakPolarHBondContact O-CG 3.43Å; K225-K229 PolarHBondContact O-N 3.24Å; I227-K229 VanDerWaalsContact C-N 3.31Å; I227-K229 PolarHBondContact O-N 2.94Å; K229-L234 HydrophobicContact CG-CD1 3.96Å; K229-L234 HydrophobicContact CG-CD2 4.3Å; K229-L234 HydrophobicContact CG-CG 4.32Å; K229-H257 WeakPolarHBondContact CE-O 3.33Å; K229-H257 PolarHBondContact NZ-CE1 3.4Å; K229-H257 VanDerWaalsContact NZ-CE1 3.35Å; K229-H257 PolarHBondContact NZ-NE2 2.97Å; K229-H257 PolarHBondContact NZ-O 3.23Å; K229-D258 IonicContact NZ-OD1 2.67Å; K229-D258 PolarHBondContact NZ-OD1 2.81Å; K229-A305 HydrophobicContact CB-CB 4.22Å; K229-A305 HydrophobicContact CG-CB 4.18Å; K229-A305 WeakPolarHBondContact O-CA 3.46Å
230	R	96.3	Very high	95.6	Very high	174 Å²	174	32.5 Å²	32.5	66%	0.657	15%	0.145	S	C	*	.	H	α-helix	trans	-68.8	-36.8	179.9	-69.4	174.1	-177	172.7	1.2	112.8	L226 I227 R228	L226-R230 WeakPolarHBondContact O-CG 3.21Å; L226-R230 PolarHBondContact O-N 2.7Å; I227-R230 WeakPolarHBondContact O-CB 3.44Å; I227-R230 PolarHBondContact O-N 2.91Å; R228-R230 VanDerWaalsContact C-N 3.32Å; R228-R230 PolarHBondContact O-N 3.02Å
231	L	96.8	Very high	94.9	Very high	78 Å²	78	34.9 Å²	34.9	41%	0.408	16%	0.157	S	C	.	.	H	α-helix	trans	-86.8	-3.4	-176.4	-63.7	-178.9	0	0	0	114.2	I227 R228 Q233 L861 P862	I227-L231 HydrophobicContact CG2-CD1 3.67Å; I227-L231 HydrophobicContact CG2-CG 4.12Å; I227-L231 WeakPolarHBondContact O-CG 3.22Å; I227-L231 PolarHBondContact O-N 2.59Å; R228-L231 PolarHBondContact O-N 2.92Å; L231-Q233 HydrophobicContact CB-CB 4.35Å; L231-Q233 HydrophobicContact CB-CG 3.79Å; L231-L861 HydrophobicContact CD1-CD2 4.06Å; L231-P862 HydrophobicContact CD1-CG 4.4Å
232	K	97.1	Very high	93.6	Very high	100 Å²	100	39.2 Å²	39.2	44%	0.435	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	37.3	-172.3	-58.1	179.2	173.8	-162.5	0	114	R228 R304 A305 F306 K307	R228-K232 PolarHBondContact O-N 2.84Å; K232-R304 WeakPolarHBondContact CE-O 3.42Å; K232-R304 VanDerWaalsContact CG-O 3.24Å; K232-R304 WeakPolarHBondContact CG-O 3.35Å; K232-A305 CarbonylContact C-O 3.57Å; K232-A305 VanDerWaalsContact CA-O 3.28Å; K232-A305 WeakPolarHBondContact CA-O 3.48Å; K232-F306 WeakPolarHBondContact CD-O 3.43Å; K232-K307 HydrophobicContact CB-CB 4.46Å
233	Q	96.4	Very high	92.3	Very high	31 Å²	31	39.9 Å²	39.9	15%	0.145	18%	0.184	C	C	.	.			trans	-117.4	28.9	-171.9	-65	-175.5	-30.7	0	0	112.9	R228 L231 E235 D374	R228-Q233 HydrophobicContact CB-CB 4.27Å; R228-Q233 WeakPolarHBondContact CD-O 3.43Å; R228-Q233 HydrophobicContact CG-CB 4.24Å; R228-Q233 PolarHBondContact NH1-O 2.9Å; R228-Q233 PolarHBondContact O-N 2.95Å; L231-Q233 HydrophobicContact CB-CB 4.35Å; L231-Q233 HydrophobicContact CB-CG 3.79Å; Q233-E235 PolarHBondContact O-N 3.01Å; Q233-D374 WeakPolarHBondContact CG-OD2 3.4Å; Q233-D374 PolarHBondContact NE2-OD1 2.82Å; Q233-D374 PolarHBondContact NE2-OD2 2.92Å
234	L	97.6	Very high	90.5	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-72.8	-5.7	168.4	-71.4	-174.4	0	0	0	112.8	R228 K229 S254 M255 H257 A305 F306	R228-L234 HydrophobicContact CB-CD2 3.94Å; K229-L234 HydrophobicContact CG-CD1 3.96Å; K229-L234 HydrophobicContact CG-CD2 4.3Å; K229-L234 HydrophobicContact CG-CG 4.32Å; L234-S254 WeakPolarHBondContact O-CA 3.43Å; L234-M255 HydrophobicContact CB-CB 4.49Å; L234-M255 HydrophobicContact CD2-CB 3.98Å; L234-M255 WeakPolarHBondContact O-CE 3.42Å; L234-M255 PolarHBondContact O-N 3.22Å; L234-H257 HydrophobicContact CD1-CB 4.3Å; L234-A305 HydrophobicContact CD1-CB 3.82Å; L234-A305 HydrophobicContact CG-CB 4.45Å; L234-F306 HydrophobicContact CB-CD1 4.23Å; L234-F306 HydrophobicContact CB-CE1 3.75Å; L234-F306 HydrophobicContact CB-CZ 4.18Å; L234-F306 HydrophobicContact CD1-CE1 4.25Å; L234-F306 HydrophobicContact CD1-CE2 4.22Å; L234-F306 HydrophobicContact CD1-CZ 3.82Å
235	E	97.7	Very high	89.1	Confident	3 Å²	3	48.2 Å²	48.2	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.3	174.6	-66.5	178.7	138.2	0	0	109	Q233 F252 T253 F306 Y359 F367	Q233-E235 PolarHBondContact O-N 3.01Å; E235-F252 HydrophobicContact CB-CE2 3.92Å; E235-F252 HydrophobicContact CB-CZ 4.01Å; E235-F252 HydrophobicContact CG-CE2 4.39Å; E235-F252 HydrophobicContact CG-CZ 3.97Å; E235-T253 WeakPolarHBondContact CA-O 3.49Å; E235-F306 HydrophobicContact CG-CD1 3.77Å; E235-F306 HydrophobicContact CG-CE1 4.03Å; E235-Y359 VanDerWaalsContact OE1-CE1 3.32Å; E235-Y359 WeakPolarHBondContact OE1-CE1 3.27Å; E235-Y359 VanDerWaalsContact OE1-CZ 3.25Å; E235-Y359 PolarHBondContact OE1-OH 3.22Å; E235-F367 HydrophobicContact CB-CE2 4.22Å; E235-F367 HydrophobicContact CB-CZ 4.06Å
236	V	95.5	Very high	87.6	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	163.4	-175.1	-62.8	0	0	0	0	111.1	T253 M255 D374 R376	V236-T253 PolarHBondContact N-O 2.65Å; V236-T253 PolarHBondContact O-N 2.81Å; V236-M255 HydrophobicContact CG1-CE 4.41Å; V236-M255 HydrophobicContact CG2-CE 3.85Å; V236-D374 CarbonylContact C-O 3.52Å; V236-D374 VanDerWaalsContact CA-O 3.31Å; V236-D374 WeakPolarHBondContact CA-O 3.47Å; V236-D374 WeakPolarHBondContact CB-O 3.34Å; V236-D374 HydrophobicContact CG1-CB 4.25Å; V236-R376 HydrophobicContact CB-CB 4.22Å; V236-R376 HydrophobicContact CG2-CB 3.78Å
237	L	94.2	Very high	86.2	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	109.3	166.1	-167.9	62.9	0	0	0	108.9	G250 I373 D374 R375 R376 W1095 E1098	L237-G250 WeakPolarHBondContact CD1-O 3.3Å; L237-I373 HydrophobicContact CB-CD1 4.47Å; L237-I373 HydrophobicContact CB-CG2 4.03Å; L237-I373 HydrophobicContact CD2-CG2 4.3Å; L237-D374 PolarHBondContact N-O 3.44Å; L237-R375 HydrophobicContact CB-CG 4.39Å; L237-R375 CarbonylContact O-C 3.58Å; L237-R375 VanDerWaalsContact O-CA 3.24Å; L237-R375 WeakPolarHBondContact O-CA 3.46Å; L237-R376 PolarHBondContact O-N 3.16Å; L237-W1095 HydrophobicContact CD1-CB 4.31Å; L237-W1095 HydrophobicContact CD1-CG 4.04Å; L237-W1095 HydrophobicContact CD2-CB 4.25Å; L237-E1098 HydrophobicContact CD2-CG 4.15Å
238	W	94.1	Very high	85.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.2	-178.2	-170.6	0.4	0	0	0	111.2	H199 R201 S204 V215 F217 T240 G250 L251 T253 R376 G378 F380	H199-W238 HydrophobicContact CB-CH2 3.71Å; H199-W238 HydrophobicContact CB-CZ3 4.11Å; R201-W238 HydrophobicContact CB-CZ2 4.47Å; S204-W238 WeakPolarHBondContact OG-CH2 3.38Å; S204-W238 WeakPolarHBondContact OG-CZ3 3.23Å; V215-W238 HydrophobicContact CG1-CE3 4.3Å; F217-W238 HydrophobicContact CE1-CE3 4.32Å; F217-W238 AromaticContact CE1-CZ3 3.97Å; F217-W238 HydrophobicContact CE1-CZ3 3.97Å; W238-T240 PolarHBondContact O-N 3.44Å; W238-G250 WeakPolarHBondContact O-CA 3.43Å; W238-L251 PolarHBondContact N-O 2.81Å; W238-L251 PolarHBondContact O-N 3.38Å; W238-T253 WeakPolarHBondContact CB-OG1 3.46Å; W238-T253 HydrophobicContact CE3-CG2 4.3Å; W238-R376 CarbonylContact C-O 3.6Å; W238-R376 WeakPolarHBondContact CA-O 3.34Å; W238-R376 VanDerWaalsContact CE2-NH1 3.3Å; W238-G378 WeakPolarHBondContact CZ2-O 3.5Å; W238-G378 PolarHBondContact NE1-O 3.36Å; W238-F380 HydrophobicContact CD2-CE2 4.04Å; W238-F380 AromaticContact CE2-CE2 3.94Å; W238-F380 AromaticContact CE3-CE2 3.97Å; W238-F380 HydrophobicContact CE3-CE2 3.97Å; W238-F380 AromaticContact CH2-CD2 3.63Å; W238-F380 HydrophobicContact CH2-CD2 3.63Å; W238-F380 AromaticContact CH2-CE2 3.75Å; W238-F380 HydrophobicContact CH2-CE2 3.75Å; W238-F380 AromaticContact CZ2-CD2 3.8Å; W238-F380 HydrophobicContact CZ2-CD2 3.8Å; W238-F380 AromaticContact CZ2-CE2 3.82Å; W238-F380 HydrophobicContact CZ2-CE2 3.82Å; W238-F380 HydrophobicContact CZ3-CD2 4.07Å; W238-F380 AromaticContact CZ3-CE2 3.8Å; W238-F380 HydrophobicContact CZ3-CE2 3.8Å
239	D	91.5	Very high	84.7	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.027	27%	0.27	C	S	.	.			trans	-77.9	101.4	172.1	-70.9	-55.8	0	0	0	111.6	M244 R375 R376	D239-M244 HydrophobicContact CB-CE 4.1Å; D239-M244 HydrophobicContact CB-CG 4.17Å; D239-M244 VanDerWaalsContact OD2-CE 3.23Å; D239-M244 WeakPolarHBondContact OD2-CE 3.39Å; D239-R375 IonicContact OD1-CZ 3.37Å; D239-R375 VanDerWaalsContact OD1-CZ 3.27Å; D239-R375 IonicContact OD1-NE 2.71Å; D239-R375 PolarHBondContact OD1-NE 2.93Å; D239-R375 VanDerWaalsContact OD1-NE 3.15Å; D239-R375 IonicContact OD1-NH2 2.74Å; D239-R375 PolarHBondContact OD1-NH2 3.33Å; D239-R375 IonicContact OD2-CZ 2.76Å; D239-R375 IonicContact OD2-NE 3.16Å; D239-R375 PolarHBondContact OD2-NE 2.85Å; D239-R375 IonicContact OD2-NH2 2.72Å; D239-R376 PolarHBondContact N-O 3.06Å
240	T	88.3	Confident	84.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.261	C	S	.	.			trans	-89	-6.4	179.7	65.9	0	0	0	0	113.9	R201 D205 Q208 W238 R847	R201-T240 WeakPolarHBondContact CG-O 3.25Å; D205-T240 PolarHBondContact OD1-OG1 3.49Å; Q208-T240 PolarHBondContact NE2-OG1 2.7Å; W238-T240 PolarHBondContact O-N 3.44Å; T240-R847 PolarHBondContact O-NH2 2.86Å
241	N	80.9	Confident	84.3	Confident	52 Å²	52	47 Å²	47	28%	0.278	23%	0.23	S	C	.	.	S	Bend	trans	-82.8	158.3	176	-70.2	-59.9	0	0	0	111.4
242	I	70.6	Confident	84.3	Confident	96 Å²	96	43.3 Å²	43.3	49%	0.492	21%	0.211	S	C	.	.	S	Bend	trans	-66.3	-51	176.1	-65.3	170.9	0	0	0	110.8	M244 R847	I242-M244 PolarHBondContact O-N 3.45Å; I242-R847 HydrophobicContact CD1-CB 4.27Å; I242-R847 HydrophobicContact CD1-CG 4.32Å
243	E	67.1	Low	84.4	Confident	83 Å²	83	38.6 Å²	38.6	39%	0.388	19%	0.19	S	C	.	.	S	Bend	trans	-83.3	110.8	174.4	-70	175.3	-164.9	0	0	108.7	K245 R1055	E243-K245 PolarHBondContact O-N 3.49Å; E243-K245 VanDerWaalsContact O-N 3.12Å; E243-K245 IonicContact OE2-NZ 2.65Å; E243-R1055 IonicContact OE1-NH2 2.65Å; E243-R1055 PolarHBondContact OE1-NH2 3.31Å; E243-R1055 IonicContact OE2-NH2 2.7Å; E243-R1055 PolarHBondContact OE2-NH2 3.09Å
244	M	60.2	Low	84.4	Confident	93 Å²	93	37.2 Å²	37.2	46%	0.458	18%	0.184	S	C	.	.			trans	-66.2	111.5	168.7	-66	-176.2	77.5	0	0	108.3	D239 I242	D239-M244 HydrophobicContact CB-CE 4.1Å; D239-M244 HydrophobicContact CB-CG 4.17Å; D239-M244 VanDerWaalsContact OD2-CE 3.23Å; D239-M244 WeakPolarHBondContact OD2-CE 3.39Å; I242-M244 PolarHBondContact O-N 3.45Å
245	K	65.2	Low	84.4	Confident	112 Å²	112	37.2 Å²	37.2	49%	0.487	18%	0.184	S	C	.	.			trans	-103.3	118.6	167.4	-63.8	-176.2	-178.2	-179	0	106.1	E243 T247 G248	E243-K245 PolarHBondContact O-N 3.49Å; E243-K245 VanDerWaalsContact O-N 3.12Å; E243-K245 IonicContact OE2-NZ 2.65Å; K245-T247 PolarHBondContact O-N 2.92Å; K245-G248 PolarHBondContact O-N 3.44Å
246	E	64.3	Low	84.4	Confident	163 Å²	163	37.6 Å²	37.6	76%	0.762	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-26.8	178.3	-66	-176.8	165.6	0	0	112.4	R375	E246-R375 PolarHBondContact O-NH1 3.32Å
247	T	67.1	Low	84.4	Confident	62 Å²	62	38.8 Å²	38.8	38%	0.38	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	4.1	-178.2	53.6	0	0	0	0	115.2	K245 T1097 I1099	K245-T247 PolarHBondContact O-N 2.92Å; T247-T1097 WeakPolarHBondContact CA-O 3.23Å; T247-I1099 HydrophobicContact CG2-CD1 3.75Å; T247-I1099 HydrophobicContact CG2-CG1 3.82Å; T247-I1099 PolarHBondContact O-N 2.75Å; T247-I1099 VanDerWaalsContact OG1-CD1 3.31Å; T247-I1099 WeakPolarHBondContact OG1-CD1 3.44Å
248	G	76	Confident	84.1	Confident	18 Å²	18	42.2 Å²	42.2	19%	0.186	21%	0.209	C	C	.	.	S	Bend	trans	-76.1	162.9	179.7	0	0	0	0	0	113.2	K245 G250 R375	K245-G248 PolarHBondContact O-N 3.44Å; G248-G250 PolarHBondContact O-N 3.23Å; G248-R375 PolarHBondContact O-NH1 3.26Å; G248-R375 PolarHBondContact O-NH2 3.04Å
249	Y	84.4	Confident	84.1	Confident	89 Å²	89	44.7 Å²	44.7	35%	0.349	23%	0.226	S	C	.	.			trans	-64.5	129	170	-60.4	-47.5	0	0	0	110.2	E1098	Y249-E1098 WeakPolarHBondContact CA-OE1 3.29Å
250	G	89.8	Confident	84.4	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.01	23%	0.229	C	C	.	.			trans	-119.6	173.2	168.3	0	0	0	0	0	112.3	L237 W238 G248 R1092 E1098	L237-G250 WeakPolarHBondContact CD1-O 3.3Å; W238-G250 WeakPolarHBondContact O-CA 3.43Å; G248-G250 PolarHBondContact O-N 3.23Å; G250-R1092 PolarHBondContact O-NH2 3.09Å; G250-E1098 PolarHBondContact N-OE1 2.67Å
251	L	95	Very high	84.8	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	126	175.3	-176.2	59.2	0	0	0	108.9	F207 Q208 V215 W238 T253	F207-L251 HydrophobicContact CB-CD2 4.15Å; Q208-L251 HydrophobicContact CG-CB 3.87Å; Q208-L251 HydrophobicContact CG-CD1 4.11Å; Q208-L251 HydrophobicContact CG-CD2 4.33Å; Q208-L251 HydrophobicContact CG-CG 4.34Å; V215-L251 HydrophobicContact CB-CD2 3.87Å; V215-L251 HydrophobicContact CB-CG 4.37Å; V215-L251 HydrophobicContact CG1-CD2 3.6Å; V215-L251 HydrophobicContact CG1-CG 3.96Å; W238-L251 PolarHBondContact N-O 2.81Å; W238-L251 PolarHBondContact O-N 3.38Å; L251-T253 PolarHBondContact O-N 3.42Å; L251-T253 PolarHBondContact O-OG1 3.4Å
252	F	97.7	Very high	85.5	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	127.5	174.5	174.9	-102.1	0	0	0	109.8	A214 V215 E235 T360 V363 F367 I373 W1095	A214-F252 CarbonylContact C-O 3.55Å; A214-F252 WeakPolarHBondContact CA-O 3.25Å; A214-F252 HydrophobicContact CB-CB 4.2Å; A214-F252 HydrophobicContact CB-CD1 3.71Å; A214-F252 HydrophobicContact CB-CG 4.45Å; A214-F252 WeakPolarHBondContact CB-O 3.29Å; V215-F252 PolarHBondContact N-O 3.28Å; E235-F252 HydrophobicContact CB-CE2 3.92Å; E235-F252 HydrophobicContact CB-CZ 4.01Å; E235-F252 HydrophobicContact CG-CE2 4.39Å; E235-F252 HydrophobicContact CG-CZ 3.97Å; F252-T360 HydrophobicContact CD1-CG2 4.19Å; F252-V363 HydrophobicContact CE1-CG2 3.83Å; F252-V363 HydrophobicContact CE2-CG2 4.18Å; F252-V363 HydrophobicContact CZ-CB 4.45Å; F252-V363 HydrophobicContact CZ-CG2 3.55Å; F252-F367 HydrophobicContact CE2-CD2 4.4Å; F252-F367 AromaticContact CE2-CE2 3.95Å; F252-F367 HydrophobicContact CE2-CE2 3.95Å; F252-I373 HydrophobicContact CD2-CD1 3.81Å; F252-I373 HydrophobicContact CE2-CD1 3.99Å; F252-W1095 HydrophobicContact CB-CD2 4.28Å; F252-W1095 HydrophobicContact CB-CH2 3.62Å; F252-W1095 HydrophobicContact CB-CZ2 3.16Å; F252-W1095 HydrophobicContact CB-CZ3 4.33Å; F252-W1095 AromaticContact CD1-CH2 3.79Å; F252-W1095 HydrophobicContact CD1-CH2 3.79Å; F252-W1095 HydrophobicContact CD1-CZ2 4.03Å; F252-W1095 HydrophobicContact CD2-CD2 4.5Å; F252-W1095 HydrophobicContact CD2-CE3 4.05Å; F252-W1095 AromaticContact CD2-CH2 3.24Å; F252-W1095 HydrophobicContact CD2-CH2 3.24Å; F252-W1095 AromaticContact CD2-CZ2 3.79Å; F252-W1095 HydrophobicContact CD2-CZ2 3.79Å; F252-W1095 AromaticContact CD2-CZ3 3.38Å; F252-W1095 HydrophobicContact CD2-CZ3 3.38Å; F252-W1095 HydrophobicContact CE1-CH2 4.28Å; F252-W1095 AromaticContact CE2-CH2 3.78Å; F252-W1095 HydrophobicContact CE2-CH2 3.78Å; F252-W1095 AromaticContact CE2-CZ3 3.79Å; F252-W1095 HydrophobicContact CE2-CZ3 3.79Å; F252-W1095 AromaticContact CG-CH2 3.24Å; F252-W1095 HydrophobicContact CG-CH2 3.24Å; F252-W1095 AromaticContact CG-CZ2 3.39Å; F252-W1095 HydrophobicContact CG-CZ2 3.39Å; F252-W1095 AromaticContact CG-CZ3 3.9Å; F252-W1095 HydrophobicContact CG-CZ3 3.9Å; F252-W1095 HydrophobicContact CZ-CH2 4.27Å
253	T	98	Very high	86.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.8	-174.4	-65.6	0	0	0	0	108.8	V215 F217 E235 V236 W238 L251	V215-T253 HydrophobicContact CG1-CG2 4.14Å; V215-T253 VanDerWaalsContact CG1-OG1 3.27Å; V215-T253 WeakPolarHBondContact CG1-OG1 2.96Å; V215-T253 WeakPolarHBondContact O-CA 3.45Å; F217-T253 HydrophobicContact CD1-CG2 4.08Å; F217-T253 HydrophobicContact CE1-CG2 3.2Å; F217-T253 HydrophobicContact CZ-CG2 3.62Å; E235-T253 WeakPolarHBondContact CA-O 3.49Å; V236-T253 PolarHBondContact N-O 2.65Å; V236-T253 PolarHBondContact O-N 2.81Å; W238-T253 WeakPolarHBondContact CB-OG1 3.46Å; W238-T253 HydrophobicContact CE3-CG2 4.3Å; L251-T253 PolarHBondContact O-N 3.42Å; L251-T253 PolarHBondContact O-OG1 3.4Å
254	S	98.2	Very high	87.9	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.8	174	-175.2	0	0	0	0	109.6	V215 Y216 F217 L234	V215-S254 PolarHBondContact O-N 3.01Å; V215-S254 VanDerWaalsContact O-N 3.1Å; Y216-S254 VanDerWaalsContact CE1-CB 3.41Å; F217-S254 PolarHBondContact N-O 3.48Å; L234-S254 WeakPolarHBondContact O-CA 3.43Å
255	M	97.6	Very high	89.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.2	174.5	-72.7	155.2	-74	0	0	108.8	F217 M220 L234 V236 F380	F217-M255 HydrophobicContact CD2-CG 4.08Å; F217-M255 HydrophobicContact CE1-CG 4.49Å; F217-M255 HydrophobicContact CE2-CB 4.44Å; F217-M255 HydrophobicContact CE2-CG 3.3Å; F217-M255 HydrophobicContact CE2-SD 4.21Å; F217-M255 HydrophobicContact CZ-CG 3.51Å; F217-M255 HydrophobicContact CZ-SD 4.15Å; F217-M255 WeakPolarHBondContact O-CA 3.23Å; M220-M255 HydrophobicContact CE-SD 3.85Å; M220-M255 HydrophobicContact SD-CB 4.13Å; M220-M255 HydrophobicContact SD-CG 3.91Å; M220-M255 HydrophobicContact SD-SD 3.43Å; L234-M255 HydrophobicContact CB-CB 4.49Å; L234-M255 HydrophobicContact CD2-CB 3.98Å; L234-M255 WeakPolarHBondContact O-CE 3.42Å; L234-M255 PolarHBondContact O-N 3.22Å; V236-M255 HydrophobicContact CG1-CE 4.41Å; V236-M255 HydrophobicContact CG2-CE 3.85Å; M255-F380 HydrophobicContact SD-CE1 3.94Å; M255-F380 HydrophobicContact SD-CZ 4.08Å
256	F	97.5	Very high	91	Very high	11 Å²	11	39.4 Å²	39.4	5%	0.048	20%	0.203	C	C	.	.			trans	-64.2	149.2	-179.7	-62.4	-23.5	0	0	0	112.4	W192 I194 Y216 F217 Q218 K225 M312 L314	W192-F256 HydrophobicContact CH2-CE1 4.3Å; W192-F256 AromaticContact CH2-CZ 3.63Å; W192-F256 HydrophobicContact CH2-CZ 3.63Å; W192-F256 AromaticContact CZ2-CZ 3.96Å; W192-F256 HydrophobicContact CZ2-CZ 3.96Å; W192-F256 HydrophobicContact CZ3-CZ 4.03Å; I194-F256 HydrophobicContact CB-CE2 3.98Å; I194-F256 HydrophobicContact CG2-CD2 4.48Å; I194-F256 HydrophobicContact CG2-CE2 3.32Å; I194-F256 HydrophobicContact CG2-CZ 3.58Å; Y216-F256 AromaticContact CD1-CE1 3.89Å; Y216-F256 HydrophobicContact CD1-CE1 3.89Å; Y216-F256 HydrophobicContact CG-CE1 4.36Å; F217-F256 PolarHBondContact O-N 3.33Å; Q218-F256 HydrophobicContact CB-CD2 3.93Å; Q218-F256 VanDerWaalsContact OE1-CB 3.23Å; K225-F256 WeakPolarHBondContact CE-O 3.44Å; K225-F256 PolarHBondContact NZ-O 2.56Å; F256-M312 HydrophobicContact CE1-SD 4.19Å; F256-L314 HydrophobicContact CD1-CD1 4.16Å; F256-L314 HydrophobicContact CD2-CD1 3.49Å; F256-L314 VanDerWaalsContact CD2-CD1 3.49Å; F256-L314 HydrophobicContact CE1-CD1 4.06Å; F256-L314 HydrophobicContact CE1-CD2 4.25Å; F256-L314 HydrophobicContact CE2-CD1 3.38Å; F256-L314 HydrophobicContact CE2-CD2 4.47Å; F256-L314 HydrophobicContact CG-CD1 3.89Å; F256-L314 HydrophobicContact CZ-CD1 3.7Å; F256-L314 HydrophobicContact CZ-CD2 4.01Å; F256-L314 HydrophobicContact CZ-CG 4.45Å
257	H	95.4	Very high	92.5	Very high	25 Å²	25	31.8 Å²	31.8	12%	0.116	17%	0.167	C	C	.	.	S	Bend	trans	-64.7	-54.9	-176.8	-175.3	-96.1	0	0	0	111.8	K225 K229 L234 I302 F306	K225-H257 WeakPolarHBondContact CE-O 3.48Å; K229-H257 WeakPolarHBondContact CE-O 3.33Å; K229-H257 PolarHBondContact NZ-CE1 3.4Å; K229-H257 VanDerWaalsContact NZ-CE1 3.35Å; K229-H257 PolarHBondContact NZ-NE2 2.97Å; K229-H257 PolarHBondContact NZ-O 3.23Å; L234-H257 HydrophobicContact CD1-CB 4.3Å; H257-I302 HydrophobicContact CB-CB 4.48Å; H257-I302 HydrophobicContact CB-CG2 4.44Å; H257-I302 WeakPolarHBondContact ND1-CG2 3.36Å; H257-F306 HydrophobicContact CB-CE2 4.28Å; H257-F306 HydrophobicContact CB-CZ 4.45Å
258	D	88.5	Confident	93.9	Very high	72 Å²	72	29.3 Å²	29.3	39%	0.385	15%	0.151	S	C	.	.	S	Bend	trans	-122.9	-56.5	-171.7	-64.4	-38.3	0	0	0	114.6	Q218 K229	Q218-D258 PolarHBondContact NE2-O 2.86Å; K229-D258 IonicContact NZ-OD1 2.67Å; K229-D258 PolarHBondContact NZ-OD1 2.81Å
259	S	93.9	Very high	94.8	Very high	51 Å²	51	28.7 Å²	28.7	36%	0.357	14%	0.143	S	C	.	.			trans	-144.9	173.7	178.4	68.4	0	0	0	0	109.2	Q218 C261	Q218-S259 VanDerWaalsContact CD-CA 3.44Å; S259-C261 PolarHBondContact OG-N 3.4Å; S259-C261 VanDerWaalsContact OG-N 3.07Å
260	Y	96.6	Very high	95.1	Very high	23 Å²	23	27.3 Å²	27.3	9%	0.09	14%	0.142	C	C	.	.	S	Bend	trans	-82	2.9	165.7	56.8	-105.4	0	0	0	113	H69 I194 D195 Q218 L314 D318	H69-Y260 PolarHBondContact CE1-O 2.78Å; H69-Y260 VanDerWaalsContact CE1-O 3.25Å; H69-Y260 PolarHBondContact NE2-O 3.27Å; I194-Y260 HydrophobicContact CB-CD1 4.48Å; I194-Y260 HydrophobicContact CB-CG 4.34Å; I194-Y260 HydrophobicContact CD1-CD2 4.1Å; I194-Y260 HydrophobicContact CD1-CG 3.96Å; I194-Y260 HydrophobicContact CG1-CG 4.46Å; I194-Y260 WeakPolarHBondContact O-CD1 3.49Å; D195-Y260 HydrophobicContact CB-CD1 4.48Å; D195-Y260 HydrophobicContact CB-CE1 3.92Å; D195-Y260 VanDerWaalsContact OD1-CE1 3.31Å; D195-Y260 WeakPolarHBondContact OD1-CE1 3.27Å; D195-Y260 WeakPolarHBondContact OD2-CE1 3.48Å; D195-Y260 VanDerWaalsContact OD2-CZ 3.28Å; D195-Y260 PolarHBondContact OD2-OH 2.86Å; Q218-Y260 HydrophobicContact CB-CD1 4.18Å; Q218-Y260 HydrophobicContact CG-CD1 4.09Å; Y260-L314 VanDerWaalsContact CA-CD1 3.45Å; Y260-L314 WeakPolarHBondContact O-CD1 3.29Å; Y260-D318 VanDerWaalsContact CE2-OD1 3.23Å; Y260-D318 WeakPolarHBondContact CE2-OD1 3.41Å; Y260-D318 PolarHBondContact OH-OD1 2.93Å; Y260-D318 VanDerWaalsContact OH-OD1 3.12Å
261	C	96.9	Very high	95.1	Very high	22 Å²	22	31 Å²	31	15%	0.149	16%	0.158	C	C	.	.	S	Bend	trans	-96.7	172.5	-176.3	-60.9	0	0	0	0	113	S259 G316 C317	S259-C261 PolarHBondContact OG-N 3.4Å; S259-C261 VanDerWaalsContact OG-N 3.07Å; C261-G316 CarbonylContact C-O 3.6Å; C261-G316 VanDerWaalsContact C-O 3.3Å; C261-G316 WeakPolarHBondContact CA-O 3.22Å; C261-C317 HydrophobicContact CB-CB 3.67Å; C261-C317 WeakPolarHBondContact CB-SG 3.47Å; C261-C317 VanDerWaalsContact SG-CA 3.6Å; C261-C317 WeakPolarHBondContact SG-CB 3.15Å; C261-C317 CovalentContact SG-SG 2.05Å; C261-C317 PolarHBondContact SG-SG 2.78Å
262	Y	96.7	Very high	94.9	Very high	61 Å²	61	32.4 Å²	32.4	24%	0.239	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-54.7	155	172.8	44.8	-102.1	0	0	0	112.8	C267 C272 L314 G316 C317 T320	Y262-C267 HydrophobicContact CD1-CB 4.11Å; Y262-C267 HydrophobicContact CD2-CB 3.56Å; Y262-C267 HydrophobicContact CE1-CB 3.83Å; Y262-C267 WeakPolarHBondContact CE1-SG 3.36Å; Y262-C267 HydrophobicContact CE2-CB 3.29Å; Y262-C267 HydrophobicContact CG-CB 3.98Å; Y262-C267 VanDerWaalsContact CZ-CB 3.41Å; Y262-C267 PolarHBondContact OH-SG 3.06Å; Y262-C267 VanDerWaalsContact OH-SG 3.4Å; Y262-C272 PolarHBondContact OH-SG 3.18Å; Y262-C272 VanDerWaalsContact OH-SG 3.35Å; Y262-L314 WeakPolarHBondContact CA-O 3.32Å; Y262-G316 WeakPolarHBondContact CD1-O 3.15Å; Y262-G316 PolarHBondContact N-O 2.97Å; Y262-C317 HydrophobicContact CD1-CB 4.06Å; Y262-C317 HydrophobicContact CE1-CB 3.62Å; Y262-T320 HydrophobicContact CE1-CG2 4.36Å
263	P	96.2	Very high	94.7	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.019	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-59.2	153	173.5	-22.9	34.2	0	0	0	112.3	S265 F266 Y298 I313	P263-S265 PolarHBondContact O-N 2.83Å; P263-F266 HydrophobicContact CB-CB 4.21Å; P263-F266 HydrophobicContact CB-CD2 4.04Å; P263-F266 HydrophobicContact CG-CB 4.5Å; P263-F266 PolarHBondContact O-N 3.37Å; P263-Y298 HydrophobicContact CB-CD1 3.77Å; P263-Y298 HydrophobicContact CB-CD2 4.31Å; P263-Y298 HydrophobicContact CB-CE1 3.57Å; P263-Y298 HydrophobicContact CB-CE2 4.14Å; P263-Y298 HydrophobicContact CB-CG 4.14Å; P263-Y298 HydrophobicContact CG-CD1 3.91Å; P263-Y298 HydrophobicContact CG-CE1 3.46Å; P263-Y298 VanDerWaalsContact CG-CE1 3.46Å; P263-I313 HydrophobicContact CG-CG2 3.52Å
264	E	91.6	Very high	94.6	Very high	178 Å²	178	43.6 Å²	43.6	83%	0.832	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	132	175.9	-172.9	180	-176.8	0	0	111.7	F266	E264-F266 WeakPolarHBondContact O-CD2 3.49Å; E264-F266 PolarHBondContact O-N 3Å
265	S	93.5	Very high	94.4	Very high	41 Å²	41	48 Å²	48	29%	0.287	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	5.8	-172.6	90.3	0	0	0	0	116.4	P263 D274 R291	P263-S265 PolarHBondContact O-N 2.83Å; S265-D274 VanDerWaalsContact C-CG 3.49Å; S265-D274 VanDerWaalsContact CA-CG 3.49Å; S265-D274 WeakPolarHBondContact CA-OD2 3.46Å; S265-R291 VanDerWaalsContact O-CZ 3.23Å; S265-R291 PolarHBondContact O-NH1 2.69Å; S265-R291 PolarHBondContact O-NH2 2.54Å; S265-R291 PolarHBondContact OG-NH1 2.92Å
266	F	96.6	Very high	94.3	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.013	26%	0.264	C	S	.	.			trans	-113.1	26.4	178.4	-68.9	-86.5	0	0	0	113.1	P263 E264 F268 D274 R291 D294 F295 L334	P263-F266 HydrophobicContact CB-CB 4.21Å; P263-F266 HydrophobicContact CB-CD2 4.04Å; P263-F266 HydrophobicContact CG-CB 4.5Å; P263-F266 PolarHBondContact O-N 3.37Å; E264-F266 WeakPolarHBondContact O-CD2 3.49Å; E264-F266 PolarHBondContact O-N 3Å; F266-F268 HydrophobicContact CD1-CE1 4.48Å; F266-F268 HydrophobicContact CD1-CE2 4.39Å; F266-F268 AromaticContact CD1-CZ 3.79Å; F266-F268 HydrophobicContact CD1-CZ 3.79Å; F266-F268 PolarHBondContact O-N 3.03Å; F266-F268 VanDerWaalsContact O-N 3.16Å; F266-D274 PolarHBondContact N-OD2 3.26Å; F266-R291 WeakPolarHBondContact CZ-O 3.5Å; F266-D294 HydrophobicContact CE2-CB 4.34Å; F266-D294 HydrophobicContact CZ-CB 4.12Å; F266-F295 HydrophobicContact CD1-CD2 4.12Å; F266-F295 HydrophobicContact CD2-CD2 4.36Å; F266-F295 HydrophobicContact CE1-CB 3.83Å; F266-F295 AromaticContact CE1-CD2 3.98Å; F266-F295 HydrophobicContact CE1-CD2 3.98Å; F266-F295 HydrophobicContact CE1-CG 4.33Å; F266-F295 HydrophobicContact CE2-CB 4.17Å; F266-F295 HydrophobicContact CE2-CD2 4.24Å; F266-F295 HydrophobicContact CG-CD2 4.33Å; F266-F295 HydrophobicContact CZ-CB 3.5Å; F266-F295 VanDerWaalsContact CZ-CB 3.5Å; F266-F295 HydrophobicContact CZ-CD2 4.07Å; F266-F295 HydrophobicContact CZ-CG 4.29Å; F266-L334 HydrophobicContact CD1-CD2 4.36Å; F266-L334 HydrophobicContact CE1-CD1 4.24Å
267	C	96.3	Very high	94.2	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.02	26%	0.262	C	S	.	.			trans	-74	101.7	167.3	-170.7	0	0	0	0	111.1	Y262 D269 C272 D274	Y262-C267 HydrophobicContact CD1-CB 4.11Å; Y262-C267 HydrophobicContact CD2-CB 3.56Å; Y262-C267 HydrophobicContact CE1-CB 3.83Å; Y262-C267 WeakPolarHBondContact CE1-SG 3.36Å; Y262-C267 HydrophobicContact CE2-CB 3.29Å; Y262-C267 HydrophobicContact CG-CB 3.98Å; Y262-C267 VanDerWaalsContact CZ-CB 3.41Å; Y262-C267 PolarHBondContact OH-SG 3.06Å; Y262-C267 VanDerWaalsContact OH-SG 3.4Å; C267-D269 VanDerWaalsContact C-N 3.25Å; C267-D269 PolarHBondContact O-N 3.42Å; C267-C272 HydrophobicContact CB-CB 3.36Å; C267-C272 WeakPolarHBondContact CB-SG 3.5Å; C267-C272 WeakPolarHBondContact SG-CB 3.45Å; C267-C272 CovalentContact SG-SG 2Å; C267-C272 PolarHBondContact SG-SG 3.45Å; C267-D274 WeakPolarHBondContact CA-OD2 3.41Å; C267-D274 HydrophobicContact CB-CB 4.45Å; C267-D274 WeakPolarHBondContact CB-OD2 3.48Å; C267-D274 PolarHBondContact N-OD2 2.84Å
268	F	96.5	Very high	94.3	Very high	10 Å²	10	52.8 Å²	52.8	4%	0.044	27%	0.273	C	S	.	.			trans	-90.5	18.5	175.7	-59.6	-45.6	0	0	0	114	F266 I277 M315 M326 N327 N330 L334	F266-F268 HydrophobicContact CD1-CE1 4.48Å; F266-F268 HydrophobicContact CD1-CE2 4.39Å; F266-F268 AromaticContact CD1-CZ 3.79Å; F266-F268 HydrophobicContact CD1-CZ 3.79Å; F266-F268 PolarHBondContact O-N 3.03Å; F266-F268 VanDerWaalsContact O-N 3.16Å; F268-I277 HydrophobicContact CZ-CD1 4.42Å; F268-I277 HydrophobicContact CZ-CG1 4.49Å; F268-M315 HydrophobicContact CD2-CE 3.77Å; F268-M315 HydrophobicContact CE2-CE 3.95Å; F268-M326 CarbonylContact O-C 3.24Å; F268-M326 WeakPolarHBondContact O-CG 3.35Å; F268-N327 PolarHBondContact O-N 2.96Å; F268-N327 PolarHBondContact O-OD1 2.75Å; F268-N330 HydrophobicContact CB-CB 3.95Å; F268-N330 HydrophobicContact CD1-CB 3.45Å; F268-N330 VanDerWaalsContact CD1-CB 3.45Å; F268-N330 HydrophobicContact CD2-CB 3.54Å; F268-N330 HydrophobicContact CE1-CB 3.68Å; F268-N330 HydrophobicContact CE2-CB 3.76Å; F268-N330 HydrophobicContact CG-CB 3.37Å; F268-N330 HydrophobicContact CZ-CB 3.82Å; F268-L334 HydrophobicContact CE2-CD2 4.32Å
269	D	94.8	Very high	94.6	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	27%	0.268	C	S	.	.	S	Bend	trans	-87.1	149.9	-179.6	-158.1	-93.8	0	0	0	112	C267 K271 C272 T320 Y321 N327	C267-D269 VanDerWaalsContact C-N 3.25Å; C267-D269 PolarHBondContact O-N 3.42Å; D269-K271 HydrophobicContact CB-CG 4.41Å; D269-K271 PolarHBondContact O-N 3.5Å; D269-K271 VanDerWaalsContact O-N 3.1Å; D269-K271 WeakPolarHBondContact OD1-CG 3.19Å; D269-K271 PolarHBondContact OD1-N 3.05Å; D269-C272 WeakPolarHBondContact O-CB 3.23Å; D269-C272 PolarHBondContact O-N 3.28Å; D269-T320 HydrophobicContact CB-CG2 4.32Å; D269-T320 WeakPolarHBondContact OD2-CA 3.35Å; D269-T320 WeakPolarHBondContact OD2-CB 3.49Å; D269-Y321 PolarHBondContact OD2-N 3.37Å; D269-N327 PolarHBondContact OD2-ND2 2.93Å
270	D	90.1	Very high	94.7	Very high	61 Å²	61	52.3 Å²	52.3	33%	0.326	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.9	-177.8	-175.1	66.8	0	0	0	113.9	R93 C272 N323 M326	R93-D270 IonicContact CZ-OD2 3.63Å; R93-D270 IonicContact NH1-OD2 3.45Å; R93-D270 PolarHBondContact NH1-OD2 2.84Å; R93-D270 IonicContact NH2-OD2 2.72Å; R93-D270 PolarHBondContact NH2-OD2 3.32Å; D270-C272 VanDerWaalsContact C-N 3.34Å; D270-N323 HydrophobicContact CB-CB 4.01Å; D270-M326 HydrophobicContact CB-CE 3.91Å; D270-M326 HydrophobicContact CB-SD 4.41Å; D270-M326 WeakPolarHBondContact OD1-CE 3.23Å
271	K	89.6	Confident	94.5	Very high	78 Å²	78	55.6 Å²	55.6	34%	0.339	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.4	174.4	74	-165.2	-178.8	-177.8	0	114.4	D269 D318 F319	D269-K271 HydrophobicContact CB-CG 4.41Å; D269-K271 PolarHBondContact O-N 3.5Å; D269-K271 VanDerWaalsContact O-N 3.1Å; D269-K271 WeakPolarHBondContact OD1-CG 3.19Å; D269-K271 PolarHBondContact OD1-N 3.05Å; K271-D318 PolarHBondContact NZ-O 3.13Å; K271-F319 PolarHBondContact NZ-O 2.72Å
272	C	91.4	Very high	94.4	Very high	31 Å²	31	61.3 Å²	61.3	21%	0.209	32%	0.32	C	S	.	.			trans	-102.9	158.6	-178.3	-67.9	0	0	0	0	112.3	Y262 C267 D269 D270	Y262-C272 PolarHBondContact OH-SG 3.18Å; Y262-C272 VanDerWaalsContact OH-SG 3.35Å; C267-C272 HydrophobicContact CB-CB 3.36Å; C267-C272 WeakPolarHBondContact CB-SG 3.5Å; C267-C272 WeakPolarHBondContact SG-CB 3.45Å; C267-C272 CovalentContact SG-SG 2Å; C267-C272 PolarHBondContact SG-SG 3.45Å; D269-C272 WeakPolarHBondContact O-CB 3.23Å; D269-C272 PolarHBondContact O-N 3.28Å; D270-C272 VanDerWaalsContact C-N 3.34Å
273	L	93.4	Very high	94.1	Very high	177 Å²	177	63.7 Å²	63.7	93%	0.927	34%	0.336	S	S	*	.			trans	-106.6	8.5	-179.2	-59	178.2	0	0	0	112.7
274	D	95.3	Very high	93.9	Very high	58 Å²	58	73 Å²	73	31%	0.31	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-69.8	146	-177.3	-69.1	-13.9	0	0	0	111.6	S265 F266 C267	S265-D274 VanDerWaalsContact C-CG 3.49Å; S265-D274 VanDerWaalsContact CA-CG 3.49Å; S265-D274 WeakPolarHBondContact CA-OD2 3.46Å; F266-D274 PolarHBondContact N-OD2 3.26Å; C267-D274 WeakPolarHBondContact CA-OD2 3.41Å; C267-D274 HydrophobicContact CB-CB 4.45Å; C267-D274 WeakPolarHBondContact CB-OD2 3.48Å; C267-D274 PolarHBondContact N-OD2 2.84Å
275	E	93.6	Very high	93.9	Very high	97 Å²	97	66.5 Å²	66.5	45%	0.453	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-66.8	130.5	-177.9	-78.6	-72.7	164	0	0	112.2	K278 R291	E275-K278 IonicContact OE1-NZ 3.38Å; E275-K278 WeakPolarHBondContact OE2-CE 3.22Å; E275-K278 IonicContact OE2-NZ 3.6Å; E275-K278 PolarHBondContact OE2-NZ 3.48Å; E275-R291 PolarHBondContact O-NE 3.43Å; E275-R291 PolarHBondContact O-NH2 3.01Å
276	P	95.3	Very high	94	Very high	56 Å²	56	69.5 Å²	69.5	36%	0.364	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-70	170.8	170.9	32.2	-36.4	0	0	0	110.9	K278 N287 N330	P276-K278 PolarHBondContact O-N 3.23Å; P276-N287 PolarHBondContact O-ND2 3.41Å; P276-N287 PolarHBondContact O-OD1 2.88Å; P276-N330 VanDerWaalsContact CA-OD1 3.31Å; P276-N330 WeakPolarHBondContact CA-OD1 3.27Å; P276-N330 VanDerWaalsContact CB-OD1 3.23Å; P276-N330 WeakPolarHBondContact CB-OD1 3.3Å
277	I	96.8	Very high	94	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.01	37%	0.37	C	S	.	.			trans	-82.7	109.3	171.5	-58.7	178.9	0	0	0	109.1	F268 D279 V288 R291 N330 K333 L334 Y337	F268-I277 HydrophobicContact CZ-CD1 4.42Å; F268-I277 HydrophobicContact CZ-CG1 4.49Å; I277-D279 HydrophobicContact CG2-CB 4.43Å; I277-V288 HydrophobicContact CG2-CG2 3.91Å; I277-R291 HydrophobicContact CG1-CB 4.39Å; I277-N330 PolarHBondContact N-OD1 3.16Å; I277-K333 HydrophobicContact CB-CB 4.07Å; I277-K333 HydrophobicContact CB-CD 3.9Å; I277-K333 HydrophobicContact CD1-CB 3.99Å; I277-K333 HydrophobicContact CG2-CB 4Å; I277-K333 HydrophobicContact CG2-CD 4.04Å; I277-K333 WeakPolarHBondContact O-CD 3.33Å; I277-K333 PolarHBondContact O-NZ 2.89Å; I277-L334 HydrophobicContact CD1-CB 3.72Å; I277-L334 HydrophobicContact CD1-CD1 4.02Å; I277-L334 HydrophobicContact CD1-CG 4.46Å; I277-Y337 HydrophobicContact CG2-CD2 4.16Å; I277-Y337 HydrophobicContact CG2-CE2 4.28Å
278	K	96.1	Very high	94.1	Very high	77 Å²	77	70.6 Å²	70.6	34%	0.335	37%	0.372	S	S	.	.			trans	-94.6	101.5	176.9	-62	170.8	-172.8	167.9	0	108.3	E275 P276 G285 Y286 N287	E275-K278 IonicContact OE1-NZ 3.38Å; E275-K278 WeakPolarHBondContact OE2-CE 3.22Å; E275-K278 IonicContact OE2-NZ 3.6Å; E275-K278 PolarHBondContact OE2-NZ 3.48Å; P276-K278 PolarHBondContact O-N 3.23Å; K278-G285 VanDerWaalsContact CD-O 3.25Å; K278-G285 WeakPolarHBondContact CD-O 3.42Å; K278-Y286 VanDerWaalsContact O-CD2 3.25Å; K278-Y286 WeakPolarHBondContact O-CD2 3.23Å; K278-N287 PolarHBondContact N-OD1 3.16Å; K278-N287 PolarHBondContact O-N 3.31Å
279	D	96.1	Very high	94	Very high	51 Å²	51	76.6 Å²	76.6	27%	0.273	40%	0.398	S	S	.	.			trans	-110.4	3.9	-164.7	59.5	-20.3	0	0	0	115.5	I277 P281 V288 K333 Y337	I277-D279 HydrophobicContact CG2-CB 4.43Å; D279-P281 WeakPolarHBondContact O-CD 3.36Å; D279-V288 HydrophobicContact CB-CG2 3.69Å; D279-K333 IonicContact OD1-NZ 3.72Å; D279-K333 PolarHBondContact OD1-NZ 3.05Å; D279-K333 VanDerWaalsContact OD2-CD 3.32Å; D279-K333 WeakPolarHBondContact OD2-CD 3.37Å; D279-K333 WeakPolarHBondContact OD2-CE 3.44Å; D279-K333 IonicContact OD2-NZ 3.98Å; D279-K333 PolarHBondContact OD2-NZ 3.09Å; D279-Y337 HydrophobicContact CB-CE2 3.59Å; D279-Y337 VanDerWaalsContact CB-OH 3.26Å; D279-Y337 WeakPolarHBondContact CB-OH 3.41Å; D279-Y337 PolarHBondContact OD2-OH 2.96Å
280	D	95.3	Very high	94.1	Very high	63 Å²	63	79.1 Å²	79.1	34%	0.337	42%	0.416	S	S	.	.			trans	-83.6	112.1	166.1	-172	-16.7	0	0	0	109.5	N282 L283 Y286	D280-N282 PolarHBondContact O-N 2.87Å; D280-N282 VanDerWaalsContact O-N 3.12Å; D280-N282 WeakPolarHBondContact OD1-CB 3.32Å; D280-N282 PolarHBondContact OD1-N 2.77Å; D280-N282 PolarHBondContact OD1-ND2 3.29Å; D280-L283 HydrophobicContact CB-CB 4.3Å; D280-L283 HydrophobicContact CB-CD1 3.71Å; D280-L283 HydrophobicContact CB-CG 3.76Å; D280-L283 PolarHBondContact O-N 3.33Å; D280-Y286 WeakPolarHBondContact O-CD2 3.29Å
281	P	92.6	Very high	94.4	Very high	91 Å²	91	76.9 Å²	76.9	59%	0.591	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-12	-179	29	-36.2	0	0	0	113.7	D279 Y286	D279-P281 WeakPolarHBondContact O-CD 3.36Å; P281-Y286 HydrophobicContact CB-CD2 4.31Å; P281-Y286 HydrophobicContact CB-CE2 4.23Å
282	N	95	Very high	94.8	Very high	143 Å²	143	73.2 Å²	73.2	77%	0.765	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-9.3	179.8	-50.7	-67.8	0	0	0	113.2	D280	D280-N282 PolarHBondContact O-N 2.87Å; D280-N282 VanDerWaalsContact O-N 3.12Å; D280-N282 WeakPolarHBondContact OD1-CB 3.32Å; D280-N282 PolarHBondContact OD1-N 2.77Å; D280-N282 PolarHBondContact OD1-ND2 3.29Å
283	L	90.1	Very high	95.1	Very high	111 Å²	111	73.7 Å²	73.7	58%	0.581	39%	0.387	S	S	*	.	S	Bend	trans	-91	144	-179.6	-65.5	-179.8	0	0	0	111.6	D280 G285 Y286	D280-L283 HydrophobicContact CB-CB 4.3Å; D280-L283 HydrophobicContact CB-CD1 3.71Å; D280-L283 HydrophobicContact CB-CG 3.76Å; D280-L283 PolarHBondContact O-N 3.33Å; L283-G285 PolarHBondContact O-N 2.83Å; L283-Y286 PolarHBondContact O-N 3.47Å
284	E	91.4	Very high	95.3	Very high	198 Å²	198	68.6 Å²	68.6	93%	0.925	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	132.7	168.4	-172.3	175.9	-175.7	0	0	109.9
285	G	91.3	Very high	95.4	Very high	42 Å²	42	65.8 Å²	65.8	43%	0.433	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	13.6	-178.4	0	0	0	0	0	115.5	K278 L283 N287	K278-G285 VanDerWaalsContact CD-O 3.25Å; K278-G285 WeakPolarHBondContact CD-O 3.42Å; L283-G285 PolarHBondContact O-N 2.83Å; G285-N287 PolarHBondContact O-N 2.92Å; G285-N287 VanDerWaalsContact O-N 3.15Å
286	Y	96.3	Very high	95.5	Very high	104 Å²	104	62.5 Å²	62.5	41%	0.408	33%	0.332	S	S	.	.			trans	-46.2	121.1	166.4	174.1	-97.8	0	0	0	111	K278 D280 P281 L283 V288	K278-Y286 VanDerWaalsContact O-CD2 3.25Å; K278-Y286 WeakPolarHBondContact O-CD2 3.23Å; D280-Y286 WeakPolarHBondContact O-CD2 3.29Å; P281-Y286 HydrophobicContact CB-CD2 4.31Å; P281-Y286 HydrophobicContact CB-CE2 4.23Å; L283-Y286 PolarHBondContact O-N 3.47Å; Y286-V288 HydrophobicContact CD2-CG2 4.23Å; Y286-V288 HydrophobicContact CE1-CB 4.31Å; Y286-V288 HydrophobicContact CE2-CB 3.92Å; Y286-V288 HydrophobicContact CE2-CG2 3.52Å
287	N	97.2	Very high	95.6	Very high	18 Å²	18	64.6 Å²	64.6	10%	0.096	34%	0.34	C	S	.	.			trans	-132.7	8.3	-167.5	70.1	2.7	0	0	0	114.2	P276 K278 G285 K289 S290 R291	P276-N287 PolarHBondContact O-ND2 3.41Å; P276-N287 PolarHBondContact O-OD1 2.88Å; K278-N287 PolarHBondContact N-OD1 3.16Å; K278-N287 PolarHBondContact O-N 3.31Å; G285-N287 PolarHBondContact O-N 2.92Å; G285-N287 VanDerWaalsContact O-N 3.15Å; N287-K289 VanDerWaalsContact C-N 3.26Å; N287-K289 PolarHBondContact O-N 3.29Å; N287-S290 PolarHBondContact O-N 2.88Å; N287-S290 PolarHBondContact O-OG 3.21Å; N287-R291 HydrophobicContact CB-CG 4.09Å; N287-R291 VanDerWaalsContact O-CG 3.31Å; N287-R291 WeakPolarHBondContact O-CG 3.05Å; N287-R291 PolarHBondContact O-N 3.35Å
288	V	97.4	Very high	95.6	Very high	10 Å²	10	66.9 Å²	66.9	6%	0.061	35%	0.349	C	S	.	.	H	α-helix	trans	-52.5	-44.9	-177.6	174.3	0	0	0	0	111.9	I277 D279 Y286 V292 Y337	I277-V288 HydrophobicContact CG2-CG2 3.91Å; D279-V288 HydrophobicContact CB-CG2 3.69Å; Y286-V288 HydrophobicContact CD2-CG2 4.23Å; Y286-V288 HydrophobicContact CE1-CB 4.31Å; Y286-V288 HydrophobicContact CE2-CB 3.92Å; Y286-V288 HydrophobicContact CE2-CG2 3.52Å; V288-V292 HydrophobicContact CG1-CG2 4.22Å; V288-V292 WeakPolarHBondContact O-CB 3.31Å; V288-V292 WeakPolarHBondContact O-CG2 3.46Å; V288-V292 PolarHBondContact O-N 3Å; V288-Y337 HydrophobicContact CG1-CD1 3.67Å; V288-Y337 HydrophobicContact CG1-CD2 3.81Å; V288-Y337 HydrophobicContact CG1-CE1 4.25Å; V288-Y337 HydrophobicContact CG1-CE2 4.39Å; V288-Y337 HydrophobicContact CG1-CG 3.46Å; V288-Y337 VanDerWaalsContact CG1-CG 3.46Å; V288-Y337 HydrophobicContact CG2-CD2 4.18Å; V288-Y337 HydrophobicContact CG2-CE2 4.07Å
289	K	95.5	Very high	95.7	Very high	137 Å²	137	63.3 Å²	63.3	60%	0.596	33%	0.333	S	S	*	.	H	α-helix	trans	-60.5	-52.1	-178.6	-175.8	-173.8	174.2	-61.5	0	111.3	N287 D293 R341	N287-K289 VanDerWaalsContact C-N 3.26Å; N287-K289 PolarHBondContact O-N 3.29Å; K289-D293 IonicContact NZ-OD2 3.93Å; K289-D293 PolarHBondContact NZ-OD2 3.46Å; K289-D293 WeakPolarHBondContact O-CB 3.5Å; K289-D293 PolarHBondContact O-N 3.39Å; K289-R341 PolarHBondContact O-NH2 3.31Å; K289-R341 VanDerWaalsContact O-NH2 3.15Å
290	S	96.3	Very high	95.7	Very high	57 Å²	57	64.6 Å²	64.6	40%	0.399	34%	0.34	S	S	.	.	H	α-helix	trans	-65.2	-47.7	-178.4	50.2	0	0	0	0	111.4	N287 V292 D293 D294	N287-S290 PolarHBondContact O-N 2.88Å; N287-S290 PolarHBondContact O-OG 3.21Å; S290-V292 VanDerWaalsContact C-N 3.29Å; S290-V292 PolarHBondContact O-N 3.1Å; S290-D293 WeakPolarHBondContact O-CB 3.47Å; S290-D293 PolarHBondContact O-N 3.28Å; S290-D294 PolarHBondContact O-N 2.85Å
291	R	97.4	Very high	95.7	Very high	13 Å²	13	66.1 Å²	66.1	5%	0.049	35%	0.348	C	S	.	.	H	α-helix	trans	-59.8	-38.8	179.4	-61.5	-64.2	-75.9	149.4	-5.5	112.6	S265 F266 E275 I277 N287 F295	S265-R291 VanDerWaalsContact O-CZ 3.23Å; S265-R291 PolarHBondContact O-NH1 2.69Å; S265-R291 PolarHBondContact O-NH2 2.54Å; S265-R291 PolarHBondContact OG-NH1 2.92Å; F266-R291 WeakPolarHBondContact CZ-O 3.5Å; E275-R291 PolarHBondContact O-NE 3.43Å; E275-R291 PolarHBondContact O-NH2 3.01Å; I277-R291 HydrophobicContact CG1-CB 4.39Å; N287-R291 HydrophobicContact CB-CG 4.09Å; N287-R291 VanDerWaalsContact O-CG 3.31Å; N287-R291 WeakPolarHBondContact O-CG 3.05Å; N287-R291 PolarHBondContact O-N 3.35Å; R291-F295 WeakPolarHBondContact O-CB 3.02Å; R291-F295 PolarHBondContact O-N 2.92Å; R291-F295 VanDerWaalsContact O-N 3.09Å
292	V	97.1	Very high	95.9	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.006	32%	0.32	C	S	.	.	H	α-helix	trans	-72.5	-38.1	175.2	176.6	0	0	0	0	111.8	V288 S290 L296 V338 R341	V288-V292 HydrophobicContact CG1-CG2 4.22Å; V288-V292 WeakPolarHBondContact O-CB 3.31Å; V288-V292 WeakPolarHBondContact O-CG2 3.46Å; V288-V292 PolarHBondContact O-N 3Å; S290-V292 VanDerWaalsContact C-N 3.29Å; S290-V292 PolarHBondContact O-N 3.1Å; V292-L296 HydrophobicContact CG1-CD1 3.93Å; V292-L296 HydrophobicContact CG1-CG 4.32Å; V292-L296 WeakPolarHBondContact O-CB 3.35Å; V292-L296 VanDerWaalsContact O-CG 3.26Å; V292-L296 WeakPolarHBondContact O-CG 3.36Å; V292-L296 PolarHBondContact O-N 3.32Å; V292-V338 HydrophobicContact CG1-CG2 3.88Å; V292-V338 HydrophobicContact CG2-CG2 4.41Å; V292-R341 HydrophobicContact CG1-CG 4.48Å; V292-R341 VanDerWaalsContact CG1-CZ 3.45Å
293	D	96.9	Very high	96	Very high	41 Å²	41	56.3 Å²	56.3	22%	0.219	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-47.8	174.5	-74.5	-25	0	0	0	111	K289 S290 F295 L296 N297 R341	K289-D293 IonicContact NZ-OD2 3.93Å; K289-D293 PolarHBondContact NZ-OD2 3.46Å; K289-D293 WeakPolarHBondContact O-CB 3.5Å; K289-D293 PolarHBondContact O-N 3.39Å; S290-D293 WeakPolarHBondContact O-CB 3.47Å; S290-D293 PolarHBondContact O-N 3.28Å; D293-F295 PolarHBondContact O-N 2.57Å; D293-L296 PolarHBondContact O-N 3.31Å; D293-N297 WeakPolarHBondContact O-CB 3.26Å; D293-N297 PolarHBondContact O-N 3.48Å; D293-N297 PolarHBondContact O-ND2 2.95Å; D293-R341 IonicContact OD1-CZ 3.72Å; D293-R341 IonicContact OD1-NH1 3Å; D293-R341 PolarHBondContact OD1-NH1 3.34Å; D293-R341 IonicContact OD1-NH2 2.65Å; D293-R341 PolarHBondContact OD1-NH2 3.46Å; D293-R341 IonicContact OD2-NH2 2.91Å
294	D	97.4	Very high	96.3	Very high	70 Å²	70	58.1 Å²	58.1	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-44.5	179.2	-63.7	-22.7	0	0	0	111.3	F266 S290 L296 N297 Y298	F266-D294 HydrophobicContact CE2-CB 4.34Å; F266-D294 HydrophobicContact CZ-CB 4.12Å; S290-D294 PolarHBondContact O-N 2.85Å; D294-L296 PolarHBondContact O-N 3.03Å; D294-N297 WeakPolarHBondContact O-CB 3.2Å; D294-N297 PolarHBondContact O-N 2.75Å; D294-Y298 PolarHBondContact O-N 3Å
295	F	97.8	Very high	96.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-44.3	176.7	-173.3	-101.7	0	0	0	112	I64 L66 F266 R291 D293 N297 Y298 V299 I313 L334 V338 L351	I64-F295 HydrophobicContact CG2-CZ 4.34Å; L66-F295 HydrophobicContact CD2-CZ 4.05Å; F266-F295 HydrophobicContact CD1-CD2 4.12Å; F266-F295 HydrophobicContact CD2-CD2 4.36Å; F266-F295 HydrophobicContact CE1-CB 3.83Å; F266-F295 AromaticContact CE1-CD2 3.98Å; F266-F295 HydrophobicContact CE1-CD2 3.98Å; F266-F295 HydrophobicContact CE1-CG 4.33Å; F266-F295 HydrophobicContact CE2-CB 4.17Å; F266-F295 HydrophobicContact CE2-CD2 4.24Å; F266-F295 HydrophobicContact CG-CD2 4.33Å; F266-F295 HydrophobicContact CZ-CB 3.5Å; F266-F295 VanDerWaalsContact CZ-CB 3.5Å; F266-F295 HydrophobicContact CZ-CD2 4.07Å; F266-F295 HydrophobicContact CZ-CG 4.29Å; R291-F295 WeakPolarHBondContact O-CB 3.02Å; R291-F295 PolarHBondContact O-N 2.92Å; R291-F295 VanDerWaalsContact O-N 3.09Å; D293-F295 PolarHBondContact O-N 2.57Å; F295-N297 VanDerWaalsContact C-N 3.33Å; F295-N297 PolarHBondContact O-N 3.27Å; F295-Y298 WeakPolarHBondContact O-CB 3.49Å; F295-Y298 PolarHBondContact O-N 3.03Å; F295-V299 HydrophobicContact CD1-CG2 3.98Å; F295-V299 HydrophobicContact CE1-CG2 3.62Å; F295-V299 HydrophobicContact CZ-CG2 4.06Å; F295-V299 WeakPolarHBondContact O-CG2 3.39Å; F295-V299 PolarHBondContact O-N 2.97Å; F295-I313 HydrophobicContact CE2-CD1 4.09Å; F295-I313 HydrophobicContact CZ-CD1 3.73Å; F295-L334 HydrophobicContact CB-CD1 4.06Å; F295-L334 HydrophobicContact CD1-CD1 4.28Å; F295-L334 HydrophobicContact CD2-CD1 4.32Å; F295-L334 HydrophobicContact CD2-CD2 3.79Å; F295-L334 HydrophobicContact CE1-CD2 4.48Å; F295-L334 HydrophobicContact CE2-CD2 3.74Å; F295-L334 HydrophobicContact CG-CD1 3.95Å; F295-L334 HydrophobicContact CG-CD2 4.18Å; F295-L334 HydrophobicContact CG-CG 4.45Å; F295-L334 HydrophobicContact CZ-CD2 4.1Å; F295-V338 HydrophobicContact CD1-CG2 3.93Å; F295-V338 HydrophobicContact CE1-CG2 4.42Å; F295-L351 HydrophobicContact CD1-CD2 4.43Å; F295-L351 HydrophobicContact CE1-CD1 3.79Å; F295-L351 HydrophobicContact CE1-CD2 3.69Å; F295-L351 HydrophobicContact CE1-CG 4.42Å; F295-L351 HydrophobicContact CZ-CD1 3.85Å; F295-L351 HydrophobicContact CZ-CD2 4.05Å
296	L	96.8	Very high	96.9	Very high	27 Å²	27	47.3 Å²	47.3	14%	0.141	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-32.4	178.9	-71.7	175.7	0	0	0	112.5	V292 D293 D294 V299 N300 V338 V349	V292-L296 HydrophobicContact CG1-CD1 3.93Å; V292-L296 HydrophobicContact CG1-CG 4.32Å; V292-L296 WeakPolarHBondContact O-CB 3.35Å; V292-L296 VanDerWaalsContact O-CG 3.26Å; V292-L296 WeakPolarHBondContact O-CG 3.36Å; V292-L296 PolarHBondContact O-N 3.32Å; D293-L296 PolarHBondContact O-N 3.31Å; D294-L296 PolarHBondContact O-N 3.03Å; L296-V299 PolarHBondContact O-N 2.78Å; L296-N300 WeakPolarHBondContact O-CB 3.25Å; L296-N300 PolarHBondContact O-N 3.33Å; L296-V338 HydrophobicContact CD2-CG1 4.17Å; L296-V349 HydrophobicContact CD2-CB 4.05Å; L296-V349 HydrophobicContact CD2-CG1 3.88Å; L296-V349 HydrophobicContact CD2-CG2 4.04Å
297	N	97	Very high	96.9	Very high	101 Å²	101	45.6 Å²	45.6	54%	0.54	23%	0.225	S	C	.	.	H	α-helix	trans	-62.9	-45.4	172.1	-72.8	-28.3	0	0	0	110.9	D293 D294 F295 N300 L301	D293-N297 WeakPolarHBondContact O-CB 3.26Å; D293-N297 PolarHBondContact O-N 3.48Å; D293-N297 PolarHBondContact O-ND2 2.95Å; D294-N297 WeakPolarHBondContact O-CB 3.2Å; D294-N297 PolarHBondContact O-N 2.75Å; F295-N297 VanDerWaalsContact C-N 3.33Å; F295-N297 PolarHBondContact O-N 3.27Å; N297-N300 PolarHBondContact O-N 2.9Å; N297-L301 PolarHBondContact O-N 3.49Å
298	Y	96.8	Very high	96.9	Very high	49 Å²	49	45.2 Å²	45.2	19%	0.192	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-48.1	173.9	177.8	-101.2	0	0	0	111.8	P263 D294 F295 N300 L301 I302 I313	P263-Y298 HydrophobicContact CB-CD1 3.77Å; P263-Y298 HydrophobicContact CB-CD2 4.31Å; P263-Y298 HydrophobicContact CB-CE1 3.57Å; P263-Y298 HydrophobicContact CB-CE2 4.14Å; P263-Y298 HydrophobicContact CB-CG 4.14Å; P263-Y298 HydrophobicContact CG-CD1 3.91Å; P263-Y298 HydrophobicContact CG-CE1 3.46Å; P263-Y298 VanDerWaalsContact CG-CE1 3.46Å; D294-Y298 PolarHBondContact O-N 3Å; F295-Y298 WeakPolarHBondContact O-CB 3.49Å; F295-Y298 PolarHBondContact O-N 3.03Å; Y298-N300 VanDerWaalsContact C-N 3.33Å; Y298-N300 PolarHBondContact O-N 3.04Å; Y298-L301 WeakPolarHBondContact O-CB 3.2Å; Y298-L301 PolarHBondContact O-N 3.17Å; Y298-I302 HydrophobicContact CD1-CD1 4.28Å; Y298-I302 HydrophobicContact CD2-CG2 4.19Å; Y298-I302 HydrophobicContact CE1-CD1 3.66Å; Y298-I302 HydrophobicContact CE1-CG1 4.35Å; Y298-I302 HydrophobicContact CE1-CG2 4.02Å; Y298-I302 HydrophobicContact CE2-CG2 3.66Å; Y298-I302 PolarHBondContact O-N 3.42Å; Y298-I313 HydrophobicContact CD1-CD1 4.11Å; Y298-I313 HydrophobicContact CE1-CD1 4Å; Y298-I313 HydrophobicContact CE1-CG1 4.38Å
299	V	97.4	Very high	96.9	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-53.4	-48.8	175.6	165.2	0	0	0	0	111.5	L62 I64 F295 L296 L301 I302 S303 I313	L62-V299 HydrophobicContact CD2-CG1 3.74Å; I64-V299 HydrophobicContact CD1-CG1 3.49Å; I64-V299 VanDerWaalsContact CD1-CG1 3.49Å; I64-V299 HydrophobicContact CD1-CG2 4.22Å; I64-V299 HydrophobicContact CG1-CG1 4.03Å; I64-V299 HydrophobicContact CG1-CG2 4.2Å; I64-V299 HydrophobicContact CG2-CG2 4.41Å; F295-V299 HydrophobicContact CD1-CG2 3.98Å; F295-V299 HydrophobicContact CE1-CG2 3.62Å; F295-V299 HydrophobicContact CZ-CG2 4.06Å; F295-V299 WeakPolarHBondContact O-CG2 3.39Å; F295-V299 PolarHBondContact O-N 2.97Å; L296-V299 PolarHBondContact O-N 2.78Å; V299-L301 VanDerWaalsContact C-N 3.3Å; V299-L301 PolarHBondContact O-N 2.87Å; V299-I302 PolarHBondContact O-N 3.01Å; V299-S303 WeakPolarHBondContact O-CB 3.49Å; V299-S303 PolarHBondContact O-N 3.47Å; V299-S303 PolarHBondContact O-OG 2.89Å; V299-I313 HydrophobicContact CG2-CD1 3.76Å
300	N	96.3	Very high	97.1	Very high	79 Å²	79	40.7 Å²	40.7	42%	0.422	21%	0.205	S	C	.	.	H	α-helix	trans	-66.7	-29.6	179.7	167.2	67.4	0	0	0	113	L296 N297 Y298 S303 R304	L296-N300 WeakPolarHBondContact O-CB 3.25Å; L296-N300 PolarHBondContact O-N 3.33Å; N297-N300 PolarHBondContact O-N 2.9Å; Y298-N300 VanDerWaalsContact C-N 3.33Å; Y298-N300 PolarHBondContact O-N 3.04Å; N300-S303 PolarHBondContact O-OG 3.15Å; N300-R304 PolarHBondContact ND2-NH2 3.29Å; N300-R304 WeakPolarHBondContact O-CD 3.33Å; N300-R304 WeakPolarHBondContact O-CG 3.31Å; N300-R304 PolarHBondContact O-NE 2.81Å
301	L	95.7	Very high	97.2	Very high	95 Å²	95	38 Å²	38	50%	0.497	19%	0.186	S	C	.	.	H	α-helix	trans	-67.4	-55.2	173.7	177.4	64.2	0	0	0	110.4	N297 Y298 V299 R304	N297-L301 PolarHBondContact O-N 3.49Å; Y298-L301 WeakPolarHBondContact O-CB 3.2Å; Y298-L301 PolarHBondContact O-N 3.17Å; V299-L301 VanDerWaalsContact C-N 3.3Å; V299-L301 PolarHBondContact O-N 2.87Å; L301-R304 PolarHBondContact O-N 3.03Å
302	I	96.4	Very high	97.2	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-72.9	-31.6	-173.1	68.9	167.2	0	0	0	112.5	H257 Y298 V299 R304 A305 F306 I311 I313	H257-I302 HydrophobicContact CB-CB 4.48Å; H257-I302 HydrophobicContact CB-CG2 4.44Å; H257-I302 WeakPolarHBondContact ND1-CG2 3.36Å; Y298-I302 HydrophobicContact CD1-CD1 4.28Å; Y298-I302 HydrophobicContact CD2-CG2 4.19Å; Y298-I302 HydrophobicContact CE1-CD1 3.66Å; Y298-I302 HydrophobicContact CE1-CG1 4.35Å; Y298-I302 HydrophobicContact CE1-CG2 4.02Å; Y298-I302 HydrophobicContact CE2-CG2 3.66Å; Y298-I302 PolarHBondContact O-N 3.42Å; V299-I302 PolarHBondContact O-N 3.01Å; I302-R304 PolarHBondContact O-N 3.02Å; I302-A305 WeakPolarHBondContact O-CB 3.28Å; I302-A305 PolarHBondContact O-N 3.45Å; I302-F306 VanDerWaalsContact O-CD2 3.31Å; I302-F306 WeakPolarHBondContact O-CD2 3.46Å; I302-I311 HydrophobicContact CD1-CG2 3.52Å; I302-I311 HydrophobicContact CG1-CG2 3.96Å; I302-I313 HydrophobicContact CD1-CD1 3.91Å; I302-I313 HydrophobicContact CD1-CG1 3.7Å
303	S	97	Very high	97.2	Very high	25 Å²	25	38.3 Å²	38.3	18%	0.175	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-62.7	-17.9	-179.5	69.4	0	0	0	0	113.1	V299 N300 A305	V299-S303 WeakPolarHBondContact O-CB 3.49Å; V299-S303 PolarHBondContact O-N 3.47Å; V299-S303 PolarHBondContact O-OG 2.89Å; N300-S303 PolarHBondContact O-OG 3.15Å; S303-A305 PolarHBondContact O-N 3.49Å
304	R	96.9	Very high	97.3	Very high	149 Å²	149	36.9 Å²	36.9	56%	0.562	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-72.1	-14.2	176.8	-67.2	168.5	-174.9	-167.3	-4	113.2	K232 N300 L301 I302	K232-R304 WeakPolarHBondContact CE-O 3.42Å; K232-R304 VanDerWaalsContact CG-O 3.24Å; K232-R304 WeakPolarHBondContact CG-O 3.35Å; N300-R304 PolarHBondContact ND2-NH2 3.29Å; N300-R304 WeakPolarHBondContact O-CD 3.33Å; N300-R304 WeakPolarHBondContact O-CG 3.31Å; N300-R304 PolarHBondContact O-NE 2.81Å; L301-R304 PolarHBondContact O-N 3.03Å; I302-R304 PolarHBondContact O-N 3.02Å
305	A	97.6	Very high	97.3	Very high	3 Å²	3	34 Å²	34	3%	0.025	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-97.9	0.1	179.9	0	0	0	0	0	114.2	K229 K232 L234 I302 S303	K229-A305 HydrophobicContact CB-CB 4.22Å; K229-A305 HydrophobicContact CG-CB 4.18Å; K229-A305 WeakPolarHBondContact O-CA 3.46Å; K232-A305 CarbonylContact C-O 3.57Å; K232-A305 VanDerWaalsContact CA-O 3.28Å; K232-A305 WeakPolarHBondContact CA-O 3.48Å; L234-A305 HydrophobicContact CD1-CB 3.82Å; L234-A305 HydrophobicContact CG-CB 4.45Å; I302-A305 WeakPolarHBondContact O-CB 3.28Å; I302-A305 PolarHBondContact O-N 3.45Å; S303-A305 PolarHBondContact O-N 3.49Å
306	F	98	Very high	97.3	Very high	10 Å²	10	34 Å²	34	4%	0.044	17%	0.165	C	C	.	.			trans	-121.9	150.9	-178.9	-62.8	-85.2	0	0	0	110.9	K232 L234 E235 H257 I302 I311	K232-F306 WeakPolarHBondContact CD-O 3.43Å; L234-F306 HydrophobicContact CB-CD1 4.23Å; L234-F306 HydrophobicContact CB-CE1 3.75Å; L234-F306 HydrophobicContact CB-CZ 4.18Å; L234-F306 HydrophobicContact CD1-CE1 4.25Å; L234-F306 HydrophobicContact CD1-CE2 4.22Å; L234-F306 HydrophobicContact CD1-CZ 3.82Å; E235-F306 HydrophobicContact CG-CD1 3.77Å; E235-F306 HydrophobicContact CG-CE1 4.03Å; H257-F306 HydrophobicContact CB-CE2 4.28Å; H257-F306 HydrophobicContact CB-CZ 4.45Å; I302-F306 VanDerWaalsContact O-CD2 3.31Å; I302-F306 WeakPolarHBondContact O-CD2 3.46Å; F306-I311 HydrophobicContact CB-CD1 3.57Å; F306-I311 HydrophobicContact CD2-CD1 3.78Å; F306-I311 HydrophobicContact CG-CD1 3.87Å
307	K	96.8	Very high	97.3	Very high	69 Å²	69	33.5 Å²	33.5	30%	0.3	16%	0.164	S	C	.	.	S	Bend	trans	-88	-33	-176	-171.2	174.9	176.7	-168.5	0	112.6	K232 F367 I370 T372	K232-K307 HydrophobicContact CB-CB 4.46Å; K307-F367 HydrophobicContact CB-CE1 4.44Å; K307-F367 HydrophobicContact CB-CZ 4.48Å; K307-F367 HydrophobicContact CD-CE1 3.99Å; K307-I370 HydrophobicContact CG-CD1 4.41Å; K307-T372 PolarHBondContact NZ-O 3.25Å; K307-T372 VanDerWaalsContact NZ-O 3.16Å; K307-T372 PolarHBondContact NZ-OG1 3.01Å
308	T	97.3	Very high	97.3	Very high	10 Å²	10	29.9 Å²	29.9	6%	0.061	14%	0.144	C	C	.	.	S	Bend	trans	-85.5	168.2	-176.9	70.3	0	0	0	0	111.8	H310 V363 E366 F367	T308-H310 PolarHBondContact O-N 2.76Å; T308-H310 PolarHBondContact OG1-N 3.37Å; T308-H310 PolarHBondContact OG1-O 3.47Å; T308-H310 VanDerWaalsContact OG1-O 3.08Å; T308-V363 HydrophobicContact CG2-CB 4.32Å; T308-V363 HydrophobicContact CG2-CG1 4.35Å; T308-E366 HydrophobicContact CG2-CB 4.15Å; T308-E366 HydrophobicContact CG2-CG 3.78Å; T308-F367 HydrophobicContact CG2-CD2 3.81Å; T308-F367 HydrophobicContact CG2-CE1 4.36Å; T308-F367 HydrophobicContact CG2-CE2 3.52Å; T308-F367 HydrophobicContact CG2-CG 4.32Å; T308-F367 HydrophobicContact CG2-CZ 3.84Å
309	N	97.2	Very high	97.4	Very high	37 Å²	37	27.5 Å²	27.5	20%	0.198	14%	0.135	C	C	.	.	S	Bend	trans	-86.5	18.4	169	66.5	-43.3	0	0	0	112.6	Y61 L62 N63 E366	Y61-N309 PolarHBondContact O-ND2 3.14Å; L62-N309 CarbonylContact C-O 3.51Å; N63-N309 PolarHBondContact N-O 2.65Å; N309-E366 WeakPolarHBondContact OD1-CG 3.48Å
310	H	98.5	Very high	97.3	Very high	15 Å²	15	27.5 Å²	27.5	7%	0.069	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.6	175.7	-67.1	-87.6	0	0	0	108.5	L56 N63 H65 T308 Y359 A362 V363	L56-H310 PolarHBondContact O-CE1 3.22Å; N63-H310 WeakPolarHBondContact CB-ND1 3.35Å; N63-H310 PolarHBondContact ND2-CE1 2.95Å; N63-H310 VanDerWaalsContact ND2-CE1 3.31Å; N63-H310 CarbonylContact O-C 3.6Å; N63-H310 WeakPolarHBondContact O-CA 3.17Å; H65-H310 AromaticContact CD2-ND1 3.88Å; H65-H310 AromaticContact CE1-ND1 3.95Å; H65-H310 AromaticContact NE2-CE1 3.98Å; H65-H310 AromaticContact NE2-CG 3.83Å; H65-H310 AromaticContact NE2-ND1 2.96Å; H65-H310 PolarHBondContact NE2-ND1 3.49Å; T308-H310 PolarHBondContact O-N 2.76Å; T308-H310 PolarHBondContact OG1-N 3.37Å; T308-H310 PolarHBondContact OG1-O 3.47Å; T308-H310 VanDerWaalsContact OG1-O 3.08Å; H310-Y359 HydrophobicContact CB-CD2 4.45Å; H310-Y359 HydrophobicContact CB-CE2 4.02Å; H310-Y359 WeakPolarHBondContact O-CE2 3.22Å; H310-Y359 PolarHBondContact O-OH 2.79Å; H310-A362 WeakPolarHBondContact ND1-CB 3.29Å; H310-V363 HydrophobicContact CB-CG1 3.85Å
311	I	98.3	Very high	97.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.3	-179.9	-52.4	-62.4	0	0	0	109.1	L62 N63 I64 H65 I302 F306 I313	L62-I311 HydrophobicContact CD1-CG1 3.84Å; N63-I311 PolarHBondContact O-N 3.02Å; I64-I311 CarbonylContact C-O 3.49Å; I64-I311 WeakPolarHBondContact CA-O 3.17Å; I64-I311 HydrophobicContact CD1-CB 3.74Å; I64-I311 HydrophobicContact CD1-CG1 4Å; I64-I311 HydrophobicContact CD1-CG2 4.5Å; H65-I311 PolarHBondContact N-O 3.31Å; I302-I311 HydrophobicContact CD1-CG2 3.52Å; I302-I311 HydrophobicContact CG1-CG2 3.96Å; F306-I311 HydrophobicContact CB-CD1 3.57Å; F306-I311 HydrophobicContact CD2-CD1 3.78Å; F306-I311 HydrophobicContact CG-CD1 3.87Å; I311-I313 HydrophobicContact CG2-CG1 4.44Å
312	M	98	Very high	97.5	Very high	18 Å²	18	20.5 Å²	20.5	9%	0.089	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	129.8	171.7	-171.5	-179	-59.6	0	0	109.7	V67 W192 Y216 F256 L314 P356 Y359	V67-M312 HydrophobicContact CB-CG 4.42Å; V67-M312 HydrophobicContact CG2-CE 4.47Å; V67-M312 HydrophobicContact CG2-CG 3.68Å; V67-M312 HydrophobicContact CG2-SD 3.97Å; W192-M312 HydrophobicContact CH2-SD 4.26Å; W192-M312 HydrophobicContact CZ3-SD 4.41Å; Y216-M312 HydrophobicContact CD1-CE 3.9Å; Y216-M312 HydrophobicContact CD1-SD 4.36Å; Y216-M312 HydrophobicContact CE1-CE 3.32Å; Y216-M312 HydrophobicContact CE1-SD 4.32Å; F256-M312 HydrophobicContact CE1-SD 4.19Å; M312-L314 HydrophobicContact CG-CD2 4.22Å; M312-L314 HydrophobicContact SD-CD2 3.76Å; M312-P356 HydrophobicContact CE-CB 4.43Å; M312-Y359 HydrophobicContact CB-CD1 4.34Å; M312-Y359 HydrophobicContact CB-CD2 3.88Å; M312-Y359 HydrophobicContact CB-CE1 4.24Å; M312-Y359 HydrophobicContact CB-CE2 3.75Å; M312-Y359 HydrophobicContact CB-CG 4.14Å; M312-Y359 HydrophobicContact CE-CD1 3.22Å; M312-Y359 HydrophobicContact CE-CD2 4.25Å; M312-Y359 HydrophobicContact CE-CE1 3.9Å; M312-Y359 HydrophobicContact CE-CG 3.4Å
313	I	98.1	Very high	97.5	Very high	3 Å²	3	23 Å²	23	2%	0.015	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	122.6	167.9	-66.9	-175.1	0	0	0	108	I64 H65 L66 V67 P263 F295 Y298 V299 I302 I311 M315	I64-I313 HydrophobicContact CG2-CB 4.33Å; I64-I313 HydrophobicContact CG2-CD1 3.51Å; I64-I313 HydrophobicContact CG2-CG1 3.87Å; H65-I313 PolarHBondContact O-N 3.02Å; L66-I313 CarbonylContact C-O 3.58Å; L66-I313 WeakPolarHBondContact CA-O 3.25Å; L66-I313 HydrophobicContact CD2-CB 3.91Å; L66-I313 HydrophobicContact CD2-CG2 3.94Å; V67-I313 PolarHBondContact N-O 2.98Å; P263-I313 HydrophobicContact CG-CG2 3.52Å; F295-I313 HydrophobicContact CE2-CD1 4.09Å; F295-I313 HydrophobicContact CZ-CD1 3.73Å; Y298-I313 HydrophobicContact CD1-CD1 4.11Å; Y298-I313 HydrophobicContact CE1-CD1 4Å; Y298-I313 HydrophobicContact CE1-CG1 4.38Å; V299-I313 HydrophobicContact CG2-CD1 3.76Å; I302-I313 HydrophobicContact CD1-CD1 3.91Å; I302-I313 HydrophobicContact CD1-CG1 3.7Å; I311-I313 HydrophobicContact CG2-CG1 4.44Å; I313-M315 HydrophobicContact CG2-SD 4.17Å
314	L	98.1	Very high	97.5	Very high	11 Å²	11	21.8 Å²	21.8	6%	0.058	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	135.4	-179.4	-58.4	172.4	0	0	0	109.1	V67 W192 F256 Y260 Y262 M312	V67-L314 HydrophobicContact CB-CD2 4.25Å; V67-L314 HydrophobicContact CG1-CD2 4.39Å; W192-L314 HydrophobicContact CH2-CD2 3.65Å; W192-L314 HydrophobicContact CZ2-CD2 4.05Å; F256-L314 HydrophobicContact CD1-CD1 4.16Å; F256-L314 HydrophobicContact CD2-CD1 3.49Å; F256-L314 VanDerWaalsContact CD2-CD1 3.49Å; F256-L314 HydrophobicContact CE1-CD1 4.06Å; F256-L314 HydrophobicContact CE1-CD2 4.25Å; F256-L314 HydrophobicContact CE2-CD1 3.38Å; F256-L314 HydrophobicContact CE2-CD2 4.47Å; F256-L314 HydrophobicContact CG-CD1 3.89Å; F256-L314 HydrophobicContact CZ-CD1 3.7Å; F256-L314 HydrophobicContact CZ-CD2 4.01Å; F256-L314 HydrophobicContact CZ-CG 4.45Å; Y260-L314 VanDerWaalsContact CA-CD1 3.45Å; Y260-L314 WeakPolarHBondContact O-CD1 3.29Å; Y262-L314 WeakPolarHBondContact CA-O 3.32Å; M312-L314 HydrophobicContact CG-CD2 4.22Å; M312-L314 HydrophobicContact SD-CD2 3.76Å
315	M	98	Very high	97.5	Very high	8 Å²	8	19.2 Å²	19.2	4%	0.039	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	64.5	177.5	-64.5	-59.5	-60.6	0	0	108.1	L66 V67 P68 F268 I313 Y321 M331	L66-M315 HydrophobicContact CB-CG 4.13Å; L66-M315 HydrophobicContact CD2-CG 3.96Å; L66-M315 HydrophobicContact CD2-SD 4.2Å; L66-M315 HydrophobicContact CG-CG 4.43Å; V67-M315 PolarHBondContact O-N 3.23Å; P68-M315 WeakPolarHBondContact CA-O 3.48Å; F268-M315 HydrophobicContact CD2-CE 3.77Å; F268-M315 HydrophobicContact CE2-CE 3.95Å; I313-M315 HydrophobicContact CG2-SD 4.17Å; M315-Y321 WeakPolarHBondContact O-CE2 3.44Å; M315-Y321 VanDerWaalsContact O-CZ 3.28Å; M315-Y321 PolarHBondContact O-OH 3.07Å; M315-M331 HydrophobicContact CB-SD 4.1Å; M315-M331 HydrophobicContact CG-SD 3.93Å
316	G	97.6	Very high	97.5	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	11%	0.113	C	C	.	.			trans	-168.3	176	-175.7	0	0	0	0	0	109.8	H69 C261 Y262	H69-G316 WeakPolarHBondContact O-CA 3.3Å; C261-G316 CarbonylContact C-O 3.6Å; C261-G316 VanDerWaalsContact C-O 3.3Å; C261-G316 WeakPolarHBondContact CA-O 3.22Å; Y262-G316 WeakPolarHBondContact CD1-O 3.15Å; Y262-G316 PolarHBondContact N-O 2.97Å
317	C	97	Very high	97.5	Very high	17 Å²	17	22.1 Å²	22.1	12%	0.115	11%	0.113	C	C	.	.			trans	-172.3	-173.8	172.1	-158.6	0	0	0	0	106.9	H71 C261 Y262 F319 T320	H71-C317 PolarHBondContact N-O 3.34Å; C261-C317 HydrophobicContact CB-CB 3.67Å; C261-C317 WeakPolarHBondContact CB-SG 3.47Å; C261-C317 VanDerWaalsContact SG-CA 3.6Å; C261-C317 WeakPolarHBondContact SG-CB 3.15Å; C261-C317 CovalentContact SG-SG 2.05Å; C261-C317 PolarHBondContact SG-SG 2.78Å; Y262-C317 HydrophobicContact CD1-CB 4.06Å; Y262-C317 HydrophobicContact CE1-CB 3.62Å; C317-F319 PolarHBondContact O-N 2.85Å; C317-T320 HydrophobicContact CB-CG2 3.74Å; C317-T320 PolarHBondContact N-OG1 3.15Å; C317-T320 PolarHBondContact O-N 3.22Å; C317-T320 PolarHBondContact O-OG1 3.38Å
318	D	96.9	Very high	97.5	Very high	24 Å²	24	18.9 Å²	18.9	13%	0.128	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-49.4	127.3	174.9	-52.3	-15.7	0	0	0	110.4	H71 Y260 K271 T320	H71-D318 IonicContact CD2-OD1 3.74Å; H71-D318 PolarHBondContact CD2-OD1 3.15Å; H71-D318 CarbonylContact O-C 3.59Å; H71-D318 WeakPolarHBondContact O-CA 3.36Å; Y260-D318 VanDerWaalsContact CE2-OD1 3.23Å; Y260-D318 WeakPolarHBondContact CE2-OD1 3.41Å; Y260-D318 PolarHBondContact OH-OD1 2.93Å; Y260-D318 VanDerWaalsContact OH-OD1 3.12Å; K271-D318 PolarHBondContact NZ-O 3.13Å; D318-T320 VanDerWaalsContact C-N 3.31Å; D318-T320 PolarHBondContact O-N 2.74Å; D318-T320 VanDerWaalsContact O-N 3.15Å
319	F	97.3	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.4	51	173.3	-50.8	-79.4	0	0	0	113.6	H71 D72 D73 Y83 A94 V96 I99 K271 C317	H71-F319 PolarHBondContact O-N 3.01Å; D72-F319 HydrophobicContact CB-CD1 4.46Å; D72-F319 HydrophobicContact CB-CE1 4.18Å; D73-F319 HydrophobicContact CB-CE2 4.41Å; D73-F319 HydrophobicContact CB-CZ 3.93Å; D73-F319 VanDerWaalsContact N-CZ 3.31Å; Y83-F319 HydrophobicContact CD1-CD1 4.02Å; Y83-F319 HydrophobicContact CD1-CD2 4.43Å; Y83-F319 AromaticContact CD1-CE1 3.34Å; Y83-F319 HydrophobicContact CD1-CE1 3.34Å; Y83-F319 AromaticContact CD1-CE2 3.85Å; Y83-F319 HydrophobicContact CD1-CE2 3.85Å; Y83-F319 AromaticContact CD1-CZ 3.25Å; Y83-F319 HydrophobicContact CD1-CZ 3.25Å; Y83-F319 HydrophobicContact CD2-CE1 4.45Å; Y83-F319 HydrophobicContact CD2-CZ 4.04Å; Y83-F319 HydrophobicContact CE1-CD1 4.43Å; Y83-F319 HydrophobicContact CE1-CD2 4.03Å; Y83-F319 AromaticContact CE1-CE1 3.78Å; Y83-F319 HydrophobicContact CE1-CE1 3.78Å; Y83-F319 AromaticContact CE1-CE2 3.34Å; Y83-F319 HydrophobicContact CE1-CE2 3.34Å; Y83-F319 AromaticContact CE1-CZ 3.18Å; Y83-F319 HydrophobicContact CE1-CZ 3.18Å; Y83-F319 AromaticContact CE2-CZ 3.98Å; Y83-F319 HydrophobicContact CE2-CZ 3.98Å; Y83-F319 AromaticContact CG-CE1 3.74Å; Y83-F319 HydrophobicContact CG-CE1 3.74Å; Y83-F319 AromaticContact CG-CZ 3.71Å; Y83-F319 HydrophobicContact CG-CZ 3.71Å; Y83-F319 AromaticContact CZ-CE2 3.76Å; Y83-F319 AromaticContact CZ-CZ 3.57Å; A94-F319 HydrophobicContact CB-CB 3.6Å; A94-F319 HydrophobicContact CB-CD1 3.71Å; A94-F319 HydrophobicContact CB-CD2 3.87Å; A94-F319 HydrophobicContact CB-CE1 4.36Å; A94-F319 HydrophobicContact CB-CG 3.42Å; A94-F319 VanDerWaalsContact CB-CG 3.42Å; V96-F319 HydrophobicContact CG2-CD1 3.93Å; V96-F319 HydrophobicContact CG2-CE1 3.97Å; I99-F319 HydrophobicContact CD1-CB 4.4Å; K271-F319 PolarHBondContact NZ-O 2.72Å; C317-F319 PolarHBondContact O-N 2.85Å
320	T	97.1	Very high	97.6	Very high	1 Å²	1	23 Å²	23	1%	0.006	12%	0.115	C	C	.	.			trans	-98.2	166.3	175.3	48.6	0	0	0	0	110.4	H69 T70 I99 Y262 D269 C317 D318	H69-T320 PolarHBondContact O-OG1 2.65Å; T70-T320 PolarHBondContact OG1-N 2.86Å; T70-T320 PolarHBondContact OG1-O 2.71Å; I99-T320 WeakPolarHBondContact CD1-O 3.43Å; I99-T320 WeakPolarHBondContact CG1-O 3.34Å; I99-T320 WeakPolarHBondContact CG2-O 3.26Å; Y262-T320 HydrophobicContact CE1-CG2 4.36Å; D269-T320 HydrophobicContact CB-CG2 4.32Å; D269-T320 WeakPolarHBondContact OD2-CA 3.35Å; D269-T320 WeakPolarHBondContact OD2-CB 3.49Å; C317-T320 HydrophobicContact CB-CG2 3.74Å; C317-T320 PolarHBondContact N-OG1 3.15Å; C317-T320 PolarHBondContact O-N 3.22Å; C317-T320 PolarHBondContact O-OG1 3.38Å; D318-T320 VanDerWaalsContact C-N 3.31Å; D318-T320 PolarHBondContact O-N 2.74Å; D318-T320 VanDerWaalsContact O-N 3.15Å
321	Y	98.2	Very high	97.6	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.012	11%	0.112	C	C	.	.			trans	75.4	18.4	-177.2	-64.4	-104.9	0	0	0	115.8	P68 H69 V103 F115 D269 M315 N323 A324 N327 Y328	P68-Y321 HydrophobicContact CB-CE1 4.33Å; P68-Y321 WeakPolarHBondContact CB-OH 3.45Å; H69-Y321 WeakPolarHBondContact O-CD2 3.41Å; H69-Y321 VanDerWaalsContact O-CE2 3.22Å; H69-Y321 WeakPolarHBondContact O-CE2 3.42Å; V103-Y321 HydrophobicContact CG2-CD1 4.06Å; V103-Y321 HydrophobicContact CG2-CG 4.11Å; F115-Y321 HydrophobicContact CD2-CD1 4.33Å; F115-Y321 HydrophobicContact CD2-CE1 4.23Å; F115-Y321 AromaticContact CE2-CD1 3.67Å; F115-Y321 HydrophobicContact CE2-CD1 3.67Å; F115-Y321 AromaticContact CE2-CD2 3.69Å; F115-Y321 HydrophobicContact CE2-CD2 3.69Å; F115-Y321 AromaticContact CE2-CE1 3.82Å; F115-Y321 HydrophobicContact CE2-CE1 3.82Å; F115-Y321 AromaticContact CE2-CE2 3.86Å; F115-Y321 HydrophobicContact CE2-CE2 3.86Å; F115-Y321 AromaticContact CE2-CG 3.63Å; F115-Y321 HydrophobicContact CE2-CG 3.63Å; F115-Y321 AromaticContact CE2-CZ 3.93Å; F115-Y321 HydrophobicContact CZ-CD2 4.15Å; F115-Y321 HydrophobicContact CZ-CG 4.18Å; D269-Y321 PolarHBondContact OD2-N 3.37Å; M315-Y321 WeakPolarHBondContact O-CE2 3.44Å; M315-Y321 VanDerWaalsContact O-CZ 3.28Å; M315-Y321 PolarHBondContact O-OH 3.07Å; Y321-N323 PolarHBondContact O-N 2.96Å; Y321-N323 VanDerWaalsContact O-N 3.14Å; Y321-A324 HydrophobicContact CD1-CB 3.83Å; Y321-A324 PolarHBondContact O-N 2.86Å; Y321-A324 VanDerWaalsContact O-N 3.15Å; Y321-N327 HydrophobicContact CD1-CB 3.86Å; Y321-N327 HydrophobicContact CE1-CB 3.47Å; Y321-N327 VanDerWaalsContact CE1-CB 3.47Å; Y321-Y328 HydrophobicContact CD1-CE2 4.17Å; Y321-Y328 HydrophobicContact CE1-CD2 4.32Å; Y321-Y328 AromaticContact CE1-CE2 3.93Å; Y321-Y328 HydrophobicContact CE1-CE2 3.93Å
322	E	96.5	Very high	97.6	Very high	25 Å²	25	24.2 Å²	24.2	12%	0.117	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-34.8	167.7	-82.3	-169.5	-175.5	0	0	110.9	R93 A94 G95 I99 N102	R93-E322 IonicContact CZ-OE2 2.81Å; R93-E322 IonicContact NE-OE2 3.4Å; R93-E322 PolarHBondContact NE-OE2 3.48Å; R93-E322 IonicContact NH2-OE2 3.95Å; R93-E322 PolarHBondContact NH2-OE2 2.74Å; A94-E322 VanDerWaalsContact C-OE1 3.31Å; A94-E322 WeakPolarHBondContact CA-OE1 3.36Å; A94-E322 PolarHBondContact N-OE1 2.95Å; G95-E322 PolarHBondContact N-OE1 3.25Å; I99-E322 HydrophobicContact CG1-CB 4.49Å; I99-E322 HydrophobicContact CG1-CG 3.89Å; N102-E322 PolarHBondContact ND2-O 2.73Å
323	N	96.4	Very high	97.6	Very high	54 Å²	54	25.3 Å²	25.3	29%	0.289	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	69.9	168.2	-175	-1.2	0	0	0	110.7	D270 Y321 N325 M326 N327	D270-N323 HydrophobicContact CB-CB 4.01Å; Y321-N323 PolarHBondContact O-N 2.96Å; Y321-N323 VanDerWaalsContact O-N 3.14Å; N323-N325 PolarHBondContact O-N 3.1Å; N323-M326 PolarHBondContact O-N 2.82Å; N323-N327 PolarHBondContact O-OD1 3.47Å; N323-N327 VanDerWaalsContact O-OD1 3.07Å
324	A	98.1	Very high	97.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-51.1	-28.8	-177.9	0	0	0	0	0	114.8	N102 V103 A106 Y321 M326 N327 Y328	N102-A324 HydrophobicContact CB-CB 3.95Å; V103-A324 HydrophobicContact CG2-CB 3.96Å; A106-A324 HydrophobicContact CB-CB 4.12Å; Y321-A324 HydrophobicContact CD1-CB 3.83Å; Y321-A324 PolarHBondContact O-N 2.86Å; Y321-A324 VanDerWaalsContact O-N 3.15Å; A324-M326 VanDerWaalsContact C-N 3.3Å; A324-M326 PolarHBondContact O-N 3.24Å; A324-N327 PolarHBondContact O-N 3.19Å; A324-Y328 HydrophobicContact CB-CD2 4.2Å; A324-Y328 HydrophobicContact CB-CE2 4.31Å; A324-Y328 VanDerWaalsContact O-CD2 3.23Å; A324-Y328 WeakPolarHBondContact O-CD2 3.48Å; A324-Y328 PolarHBondContact O-N 3.03Å
325	N	97.2	Very high	97.7	Very high	94 Å²	94	25.8 Å²	25.8	50%	0.503	13%	0.129	S	C	.	.	H	α-helix	trans	-58.7	-41.6	177.4	-178	13.5	0	0	0	111.7	N323 N327 K329	N323-N325 PolarHBondContact O-N 3.1Å; N325-N327 VanDerWaalsContact C-N 3.34Å; N325-N327 PolarHBondContact O-N 3.18Å; N325-K329 WeakPolarHBondContact O-CB 3.47Å; N325-K329 PolarHBondContact O-N 2.7Å
326	M	96.1	Very high	97.7	Very high	66 Å²	66	28 Å²	28	33%	0.325	15%	0.148	S	C	.	.	H	α-helix	trans	-62.2	-43.8	178.4	-163.6	-178.4	-60.1	0	0	111.4	F268 D270 N323 A324 N330	F268-M326 CarbonylContact O-C 3.24Å; F268-M326 WeakPolarHBondContact O-CG 3.35Å; D270-M326 HydrophobicContact CB-CE 3.91Å; D270-M326 HydrophobicContact CB-SD 4.41Å; D270-M326 WeakPolarHBondContact OD1-CE 3.23Å; N323-M326 PolarHBondContact O-N 2.82Å; A324-M326 VanDerWaalsContact C-N 3.3Å; A324-M326 PolarHBondContact O-N 3.24Å; M326-N330 PolarHBondContact O-N 3.25Å; M326-N330 PolarHBondContact O-ND2 3.41Å
327	N	98.2	Very high	97.7	Very high	9 Å²	9	30.5 Å²	30.5	5%	0.048	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-54.3	178.9	-53.6	52.5	0	0	0	110.7	F268 D269 Y321 N323 A324 N325 N330 M331	F268-N327 PolarHBondContact O-N 2.96Å; F268-N327 PolarHBondContact O-OD1 2.75Å; D269-N327 PolarHBondContact OD2-ND2 2.93Å; Y321-N327 HydrophobicContact CD1-CB 3.86Å; Y321-N327 HydrophobicContact CE1-CB 3.47Å; Y321-N327 VanDerWaalsContact CE1-CB 3.47Å; N323-N327 PolarHBondContact O-OD1 3.47Å; N323-N327 VanDerWaalsContact O-OD1 3.07Å; A324-N327 PolarHBondContact O-N 3.19Å; N325-N327 VanDerWaalsContact C-N 3.34Å; N325-N327 PolarHBondContact O-N 3.18Å; N327-N330 PolarHBondContact O-N 3.26Å; N327-M331 VanDerWaalsContact O-CB 3.31Å; N327-M331 WeakPolarHBondContact O-CB 3.29Å; N327-M331 PolarHBondContact O-N 2.67Å
328	Y	98.5	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.4	-39.2	-177.2	-78.8	-68.6	0	0	0	112.8	P68 A106 R113 R114 F115 Y321 A324 N330 M331 D332 Y353	P68-Y328 HydrophobicContact CG-CE1 4.34Å; A106-Y328 HydrophobicContact CB-CD2 3.38Å; A106-Y328 HydrophobicContact CB-CE2 3.64Å; A106-Y328 HydrophobicContact CB-CG 4.3Å; R113-Y328 HydrophobicContact CB-CD1 4.07Å; R113-Y328 HydrophobicContact CB-CE1 3.71Å; R113-Y328 HydrophobicContact CG-CD1 3.59Å; R113-Y328 HydrophobicContact CG-CE1 3.78Å; R113-Y328 HydrophobicContact CG-CG 4.35Å; R114-Y328 PolarHBondContact O-OH 2.96Å; F115-Y328 WeakPolarHBondContact CD2-OH 3.14Å; Y321-Y328 HydrophobicContact CD1-CE2 4.17Å; Y321-Y328 HydrophobicContact CE1-CD2 4.32Å; Y321-Y328 AromaticContact CE1-CE2 3.93Å; Y321-Y328 HydrophobicContact CE1-CE2 3.93Å; A324-Y328 HydrophobicContact CB-CD2 4.2Å; A324-Y328 HydrophobicContact CB-CE2 4.31Å; A324-Y328 VanDerWaalsContact O-CD2 3.23Å; A324-Y328 WeakPolarHBondContact O-CD2 3.48Å; A324-Y328 PolarHBondContact O-N 3.03Å; Y328-N330 VanDerWaalsContact C-N 3.29Å; Y328-N330 PolarHBondContact O-N 3.22Å; Y328-M331 HydrophobicContact CD1-CE 3.67Å; Y328-M331 HydrophobicContact CE1-CE 3.85Å; Y328-M331 HydrophobicContact CG-CE 4.39Å; Y328-M331 PolarHBondContact O-N 3.28Å; Y328-D332 VanDerWaalsContact O-CB 3.31Å; Y328-D332 WeakPolarHBondContact O-CB 3.1Å; Y328-D332 PolarHBondContact O-N 3.38Å; Y328-Y353 AromaticContact CD1-CE1 3.91Å; Y328-Y353 HydrophobicContact CD1-CE1 3.91Å; Y328-Y353 AromaticContact CD1-CZ 3.94Å; Y328-Y353 WeakPolarHBondContact CD1-OH 3.33Å; Y328-Y353 AromaticContact CE1-CE1 3.83Å; Y328-Y353 HydrophobicContact CE1-CE1 3.83Å
329	K	97.7	Very high	97.8	Very high	123 Å²	123	30.2 Å²	30.2	54%	0.535	16%	0.155	S	C	.	.	H	α-helix	trans	-60.3	-39.4	179.3	-172.1	170.4	-172.6	174.9	0	112.2	N325 K333	N325-K329 WeakPolarHBondContact O-CB 3.47Å; N325-K329 PolarHBondContact O-N 2.7Å; K329-K333 WeakPolarHBondContact O-CG 3.3Å; K329-K333 PolarHBondContact O-N 3.15Å
330	N	98	Very high	97.8	Very high	11 Å²	11	34.7 Å²	34.7	6%	0.059	18%	0.176	C	C	.	.	H	α-helix	trans	-77.4	-38.2	176.8	-75.1	-69.6	0	0	0	112.4	F268 P276 I277 M326 N327 Y328 K333 L334	F268-N330 HydrophobicContact CB-CB 3.95Å; F268-N330 HydrophobicContact CD1-CB 3.45Å; F268-N330 VanDerWaalsContact CD1-CB 3.45Å; F268-N330 HydrophobicContact CD2-CB 3.54Å; F268-N330 HydrophobicContact CE1-CB 3.68Å; F268-N330 HydrophobicContact CE2-CB 3.76Å; F268-N330 HydrophobicContact CG-CB 3.37Å; F268-N330 HydrophobicContact CZ-CB 3.82Å; P276-N330 VanDerWaalsContact CA-OD1 3.31Å; P276-N330 WeakPolarHBondContact CA-OD1 3.27Å; P276-N330 VanDerWaalsContact CB-OD1 3.23Å; P276-N330 WeakPolarHBondContact CB-OD1 3.3Å; I277-N330 PolarHBondContact N-OD1 3.16Å; M326-N330 PolarHBondContact O-N 3.25Å; M326-N330 PolarHBondContact O-ND2 3.41Å; N327-N330 PolarHBondContact O-N 3.26Å; Y328-N330 VanDerWaalsContact C-N 3.29Å; Y328-N330 PolarHBondContact O-N 3.22Å; N330-K333 WeakPolarHBondContact O-CB 3.25Å; N330-K333 PolarHBondContact O-N 2.94Å; N330-L334 WeakPolarHBondContact O-CB 3.35Å; N330-L334 PolarHBondContact O-N 3.23Å
331	M	98.3	Very high	97.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-66.9	-37.1	177.4	-174.7	163.7	32.5	0	0	112.7	L66 P68 M315 N327 Y328 K333 L334 I335 Y353	L66-M331 HydrophobicContact CB-SD 4.2Å; L66-M331 HydrophobicContact CD1-CG 3.56Å; L66-M331 HydrophobicContact CD1-SD 3.84Å; P68-M331 HydrophobicContact CB-CE 4.31Å; P68-M331 HydrophobicContact CG-CE 3.7Å; P68-M331 HydrophobicContact CG-SD 3.86Å; M315-M331 HydrophobicContact CB-SD 4.1Å; M315-M331 HydrophobicContact CG-SD 3.93Å; N327-M331 VanDerWaalsContact O-CB 3.31Å; N327-M331 WeakPolarHBondContact O-CB 3.29Å; N327-M331 PolarHBondContact O-N 2.67Å; Y328-M331 HydrophobicContact CD1-CE 3.67Å; Y328-M331 HydrophobicContact CE1-CE 3.85Å; Y328-M331 HydrophobicContact CG-CE 4.39Å; Y328-M331 PolarHBondContact O-N 3.28Å; M331-K333 VanDerWaalsContact C-N 3.34Å; M331-K333 PolarHBondContact O-N 2.71Å; M331-L334 PolarHBondContact O-N 2.7Å; M331-I335 HydrophobicContact CG-CD1 4.12Å; M331-I335 VanDerWaalsContact O-CG1 3.32Å; M331-I335 WeakPolarHBondContact O-CG1 3.32Å; M331-I335 PolarHBondContact O-N 2.65Å; M331-Y353 HydrophobicContact CE-CD1 4.48Å; M331-Y353 HydrophobicContact CE-CE1 3.46Å; M331-Y353 VanDerWaalsContact CE-CE1 3.46Å; M331-Y353 HydrophobicContact CG-CE1 3.65Å; M331-Y353 WeakPolarHBondContact CG-OH 3.04Å; M331-Y353 HydrophobicContact SD-CD1 4.1Å; M331-Y353 HydrophobicContact SD-CE1 3.38Å; M331-Y353 WeakPolarHBondContact SD-CE1 3.41Å
332	D	98.6	Very high	97.6	Very high	40 Å²	40	37.7 Å²	37.7	21%	0.214	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-45.8	172.6	-70	-21.4	0	0	0	110.8	R113 Y328 A336 Y353	R113-D332 IonicContact CZ-OD2 2.75Å; R113-D332 IonicContact NE-OD1 3.95Å; R113-D332 IonicContact NE-OD2 2.67Å; R113-D332 PolarHBondContact NE-OD2 2.83Å; R113-D332 IonicContact NH2-OD2 3.89Å; R113-D332 PolarHBondContact NH2-OD2 3.05Å; Y328-D332 VanDerWaalsContact O-CB 3.31Å; Y328-D332 WeakPolarHBondContact O-CB 3.1Å; Y328-D332 PolarHBondContact O-N 3.38Å; D332-A336 WeakPolarHBondContact O-CB 3.43Å; D332-A336 PolarHBondContact O-N 3.27Å; D332-Y353 PolarHBondContact N-OH 3.45Å; D332-Y353 VanDerWaalsContact OD1-CE2 3.3Å; D332-Y353 WeakPolarHBondContact OD1-CE2 3.35Å; D332-Y353 PolarHBondContact OD1-OH 2.94Å
333	K	98.5	Very high	97.4	Very high	41 Å²	41	45.2 Å²	45.2	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-45	174.7	-69.6	178.1	-175.8	-160.6	0	111.7	I277 D279 K329 N330 M331 I335 A336 Y337	I277-K333 HydrophobicContact CB-CB 4.07Å; I277-K333 HydrophobicContact CB-CD 3.9Å; I277-K333 HydrophobicContact CD1-CB 3.99Å; I277-K333 HydrophobicContact CG2-CB 4Å; I277-K333 HydrophobicContact CG2-CD 4.04Å; I277-K333 WeakPolarHBondContact O-CD 3.33Å; I277-K333 PolarHBondContact O-NZ 2.89Å; D279-K333 IonicContact OD1-NZ 3.72Å; D279-K333 PolarHBondContact OD1-NZ 3.05Å; D279-K333 VanDerWaalsContact OD2-CD 3.32Å; D279-K333 WeakPolarHBondContact OD2-CD 3.37Å; D279-K333 WeakPolarHBondContact OD2-CE 3.44Å; D279-K333 IonicContact OD2-NZ 3.98Å; D279-K333 PolarHBondContact OD2-NZ 3.09Å; K329-K333 WeakPolarHBondContact O-CG 3.3Å; K329-K333 PolarHBondContact O-N 3.15Å; N330-K333 WeakPolarHBondContact O-CB 3.25Å; N330-K333 PolarHBondContact O-N 2.94Å; M331-K333 VanDerWaalsContact C-N 3.34Å; M331-K333 PolarHBondContact O-N 2.71Å; K333-I335 PolarHBondContact O-N 2.86Å; K333-A336 PolarHBondContact O-N 2.75Å; K333-Y337 HydrophobicContact CB-CD2 4.11Å; K333-Y337 HydrophobicContact CB-CE2 4.03Å; K333-Y337 HydrophobicContact CG-CE2 4.33Å; K333-Y337 WeakPolarHBondContact O-CD2 3.39Å; K333-Y337 PolarHBondContact O-N 3.44Å
334	L	98.4	Very high	97.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.2	-48.4	179.7	-172.6	63.4	0	0	0	111.1	F266 F268 I277 F295 N330 M331 A336 Y337 V338 L351	F266-L334 HydrophobicContact CD1-CD2 4.36Å; F266-L334 HydrophobicContact CE1-CD1 4.24Å; F268-L334 HydrophobicContact CE2-CD2 4.32Å; I277-L334 HydrophobicContact CD1-CB 3.72Å; I277-L334 HydrophobicContact CD1-CD1 4.02Å; I277-L334 HydrophobicContact CD1-CG 4.46Å; F295-L334 HydrophobicContact CB-CD1 4.06Å; F295-L334 HydrophobicContact CD1-CD1 4.28Å; F295-L334 HydrophobicContact CD2-CD1 4.32Å; F295-L334 HydrophobicContact CD2-CD2 3.79Å; F295-L334 HydrophobicContact CE1-CD2 4.48Å; F295-L334 HydrophobicContact CE2-CD2 3.74Å; F295-L334 HydrophobicContact CG-CD1 3.95Å; F295-L334 HydrophobicContact CG-CD2 4.18Å; F295-L334 HydrophobicContact CG-CG 4.45Å; F295-L334 HydrophobicContact CZ-CD2 4.1Å; N330-L334 WeakPolarHBondContact O-CB 3.35Å; N330-L334 PolarHBondContact O-N 3.23Å; M331-L334 PolarHBondContact O-N 2.7Å; L334-A336 PolarHBondContact O-N 3.05Å; L334-Y337 PolarHBondContact O-N 3.09Å; L334-V338 HydrophobicContact CD1-CG2 4.07Å; L334-V338 HydrophobicContact CG-CG2 4.39Å; L334-V338 VanDerWaalsContact O-CB 3.29Å; L334-V338 WeakPolarHBondContact O-CB 3.44Å; L334-V338 VanDerWaalsContact O-CG2 3.25Å; L334-V338 WeakPolarHBondContact O-CG2 3.49Å; L334-V338 PolarHBondContact O-N 2.87Å; L334-L351 HydrophobicContact CD2-CD2 4.21Å; L334-L351 HydrophobicContact CG-CD2 3.81Å
335	I	98.5	Very high	96.6	Very high	24 Å²	24	53.6 Å²	53.6	12%	0.123	27%	0.265	C	S	.	.	H	α-helix	trans	-57.5	-48.1	174.7	-69.7	164.9	0	0	0	110.9	L66 M331 K333 N339 L351 Y353	L66-I335 HydrophobicContact CD1-CD1 4.09Å; L66-I335 HydrophobicContact CD1-CG1 3.89Å; M331-I335 HydrophobicContact CG-CD1 4.12Å; M331-I335 VanDerWaalsContact O-CG1 3.32Å; M331-I335 WeakPolarHBondContact O-CG1 3.32Å; M331-I335 PolarHBondContact O-N 2.65Å; K333-I335 PolarHBondContact O-N 2.86Å; I335-N339 VanDerWaalsContact O-CB 3.24Å; I335-N339 WeakPolarHBondContact O-CB 3.49Å; I335-N339 VanDerWaalsContact O-CG 3.27Å; I335-N339 PolarHBondContact O-N 3Å; I335-N339 VanDerWaalsContact O-N 3.08Å; I335-N339 PolarHBondContact O-ND2 2.86Å; I335-L351 HydrophobicContact CG1-CB 4.49Å; I335-L351 HydrophobicContact CG1-CD2 4.04Å; I335-L351 HydrophobicContact CG1-CG 3.9Å; I335-Y353 HydrophobicContact CD1-CD1 4.21Å; I335-Y353 HydrophobicContact CD1-CD2 3.48Å; I335-Y353 VanDerWaalsContact CD1-CD2 3.48Å; I335-Y353 HydrophobicContact CD1-CE1 4.08Å; I335-Y353 HydrophobicContact CD1-CE2 3.3Å; I335-Y353 HydrophobicContact CD1-CG 3.92Å
336	A	98.3	Very high	96.3	Very high	54 Å²	54	55.3 Å²	55.3	45%	0.446	27%	0.274	S	S	.	.	H	α-helix	trans	-60.5	-51.7	-178.8	0	0	0	0	0	111.9	D332 K333 L334 N339 Q340	D332-A336 WeakPolarHBondContact O-CB 3.43Å; D332-A336 PolarHBondContact O-N 3.27Å; K333-A336 PolarHBondContact O-N 2.75Å; L334-A336 PolarHBondContact O-N 3.05Å; A336-N339 PolarHBondContact O-N 3.06Å; A336-Q340 WeakPolarHBondContact O-CB 3.28Å; A336-Q340 PolarHBondContact O-N 2.68Å
337	Y	98.1	Very high	96.2	Very high	54 Å²	54	53.3 Å²	53.3	21%	0.212	27%	0.266	C	S	.	.	H	α-helix	trans	-76.3	-33.6	-173.9	-66.7	-59.7	0	0	0	113.7	I277 D279 V288 K333 L334 Q340 R341	I277-Y337 HydrophobicContact CG2-CD2 4.16Å; I277-Y337 HydrophobicContact CG2-CE2 4.28Å; D279-Y337 HydrophobicContact CB-CE2 3.59Å; D279-Y337 VanDerWaalsContact CB-OH 3.26Å; D279-Y337 WeakPolarHBondContact CB-OH 3.41Å; D279-Y337 PolarHBondContact OD2-OH 2.96Å; V288-Y337 HydrophobicContact CG1-CD1 3.67Å; V288-Y337 HydrophobicContact CG1-CD2 3.81Å; V288-Y337 HydrophobicContact CG1-CE1 4.25Å; V288-Y337 HydrophobicContact CG1-CE2 4.39Å; V288-Y337 HydrophobicContact CG1-CG 3.46Å; V288-Y337 VanDerWaalsContact CG1-CG 3.46Å; V288-Y337 HydrophobicContact CG2-CD2 4.18Å; V288-Y337 HydrophobicContact CG2-CE2 4.07Å; K333-Y337 HydrophobicContact CB-CD2 4.11Å; K333-Y337 HydrophobicContact CB-CE2 4.03Å; K333-Y337 HydrophobicContact CG-CE2 4.33Å; K333-Y337 WeakPolarHBondContact O-CD2 3.39Å; K333-Y337 PolarHBondContact O-N 3.44Å; L334-Y337 PolarHBondContact O-N 3.09Å; Y337-Q340 PolarHBondContact O-N 2.86Å; Y337-R341 PolarHBondContact O-N 3.48Å
338	V	98.1	Very high	96.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-49	170.6	169.6	0	0	0	0	110.1	V292 F295 L296 L334 Q340 R341 V349 L351	V292-V338 HydrophobicContact CG1-CG2 3.88Å; V292-V338 HydrophobicContact CG2-CG2 4.41Å; F295-V338 HydrophobicContact CD1-CG2 3.93Å; F295-V338 HydrophobicContact CE1-CG2 4.42Å; L296-V338 HydrophobicContact CD2-CG1 4.17Å; L334-V338 HydrophobicContact CD1-CG2 4.07Å; L334-V338 HydrophobicContact CG-CG2 4.39Å; L334-V338 VanDerWaalsContact O-CB 3.29Å; L334-V338 WeakPolarHBondContact O-CB 3.44Å; L334-V338 VanDerWaalsContact O-CG2 3.25Å; L334-V338 WeakPolarHBondContact O-CG2 3.49Å; L334-V338 PolarHBondContact O-N 2.87Å; V338-Q340 VanDerWaalsContact C-N 3.28Å; V338-Q340 PolarHBondContact O-N 3.5Å; V338-R341 WeakPolarHBondContact O-CB 3.28Å; V338-R341 PolarHBondContact O-N 3Å; V338-R341 VanDerWaalsContact O-N 3.17Å; V338-V349 HydrophobicContact CG1-CG1 4.21Å; V338-L351 HydrophobicContact CB-CB 4.24Å; V338-L351 HydrophobicContact CB-CD2 4.03Å; V338-L351 HydrophobicContact CG1-CB 3.91Å; V338-L351 HydrophobicContact CG1-CD2 4.3Å; V338-L351 HydrophobicContact CG2-CD2 3.96Å
339	N	98.2	Very high	96	Very high	35 Å²	35	58.7 Å²	58.7	19%	0.187	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-26.5	-180	-71.3	-24.3	0	0	0	112.9	I335 A336 R341 Q342 N350 L351	I335-N339 VanDerWaalsContact O-CB 3.24Å; I335-N339 WeakPolarHBondContact O-CB 3.49Å; I335-N339 VanDerWaalsContact O-CG 3.27Å; I335-N339 PolarHBondContact O-N 3Å; I335-N339 VanDerWaalsContact O-N 3.08Å; I335-N339 PolarHBondContact O-ND2 2.86Å; A336-N339 PolarHBondContact O-N 3.06Å; N339-R341 VanDerWaalsContact C-N 3.26Å; N339-R341 PolarHBondContact O-N 3.43Å; N339-Q342 WeakPolarHBondContact O-CB 3.48Å; N339-Q342 WeakPolarHBondContact O-CG 3.12Å; N339-Q342 PolarHBondContact O-N 2.9Å; N339-Q342 PolarHBondContact OD1-NE2 3.36Å; N339-N350 WeakPolarHBondContact OD1-CA 3.24Å; N339-L351 PolarHBondContact ND2-O 3.06Å; N339-L351 PolarHBondContact OD1-N 3.45Å
340	Q	97	Very high	96.1	Very high	93 Å²	93	53.2 Å²	53.2	44%	0.435	27%	0.269	S	S	.	.	H	α-helix	trans	-62.8	-32.1	173.9	-170.2	179	6.5	0	0	112.3	A336 Y337 V338 Q342 K343 L344	A336-Q340 WeakPolarHBondContact O-CB 3.28Å; A336-Q340 PolarHBondContact O-N 2.68Å; Y337-Q340 PolarHBondContact O-N 2.86Å; V338-Q340 VanDerWaalsContact C-N 3.28Å; V338-Q340 PolarHBondContact O-N 3.5Å; Q340-Q342 PolarHBondContact O-N 3.05Å; Q340-K343 PolarHBondContact O-N 3.36Å; Q340-L344 HydrophobicContact CG-CD1 3.85Å; Q340-L344 HydrophobicContact CG-CG 4.26Å; Q340-L344 PolarHBondContact O-N 3.3Å
341	R	96	Very high	96.1	Very high	41 Å²	41	52.8 Å²	52.8	16%	0.155	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-16.6	176.2	-68.5	-168.4	176	-162.6	4.6	113.9	K289 V292 D293 Y337 V338 N339 K343 N345 N346 S347	K289-R341 PolarHBondContact O-NH2 3.31Å; K289-R341 VanDerWaalsContact O-NH2 3.15Å; V292-R341 HydrophobicContact CG1-CG 4.48Å; V292-R341 VanDerWaalsContact CG1-CZ 3.45Å; D293-R341 IonicContact OD1-CZ 3.72Å; D293-R341 IonicContact OD1-NH1 3Å; D293-R341 PolarHBondContact OD1-NH1 3.34Å; D293-R341 IonicContact OD1-NH2 2.65Å; D293-R341 PolarHBondContact OD1-NH2 3.46Å; D293-R341 IonicContact OD2-NH2 2.91Å; Y337-R341 PolarHBondContact O-N 3.48Å; V338-R341 WeakPolarHBondContact O-CB 3.28Å; V338-R341 PolarHBondContact O-N 3Å; V338-R341 VanDerWaalsContact O-N 3.17Å; N339-R341 VanDerWaalsContact C-N 3.26Å; N339-R341 PolarHBondContact O-N 3.43Å; R341-K343 PolarHBondContact O-N 2.94Å; R341-N345 CarbonylContact O-C 3.4Å; R341-N345 PolarHBondContact O-N 3.43Å; R341-N346 PolarHBondContact O-N 3.43Å; R341-S347 PolarHBondContact O-N 3.16Å; R341-S347 VanDerWaalsContact O-N 3.12Å
342	Q	95.4	Very high	96.1	Very high	26 Å²	26	53.1 Å²	53.1	12%	0.121	27%	0.269	C	S	.	.	H	α-helix	trans	-59.7	-35.7	170.2	-59.2	171.1	7.7	0	0	110.9	Y61 N339 Q340 S347 V349	Y61-Q342 HydrophobicContact CE1-CG 3.97Å; N339-Q342 WeakPolarHBondContact O-CB 3.48Å; N339-Q342 WeakPolarHBondContact O-CG 3.12Å; N339-Q342 PolarHBondContact O-N 2.9Å; N339-Q342 PolarHBondContact OD1-NE2 3.36Å; Q340-Q342 PolarHBondContact O-N 3.05Å; Q342-S347 WeakPolarHBondContact CA-O 3.25Å; Q342-S347 WeakPolarHBondContact CG-O 3.49Å; Q342-V349 PolarHBondContact NE2-O 3.06Å
343	K	92.4	Very high	96.1	Very high	184 Å²	184	52.2 Å²	52.2	80%	0.8	26%	0.262	S	S	*	.	H	α-helix	trans	-88.3	-38.3	178.4	-62.3	-179.6	-179.1	178.6	0	112.9	Q340 R341	Q340-K343 PolarHBondContact O-N 3.36Å; R341-K343 PolarHBondContact O-N 2.94Å
344	L	89.4	Confident	96.1	Very high	118 Å²	118	50.4 Å²	50.4	62%	0.618	26%	0.255	S	S	*	.	H	α-helix	trans	-84.4	-32.2	-172.1	-64.5	178	0	0	0	113.8	Q340	Q340-L344 HydrophobicContact CG-CD1 3.85Å; Q340-L344 HydrophobicContact CG-CG 4.26Å; Q340-L344 PolarHBondContact O-N 3.3Å
345	N	88.3	Confident	96.1	Very high	112 Å²	112	50.5 Å²	50.5	60%	0.599	26%	0.255	S	S	*	.	S	Bend	trans	-132.1	10.8	-170.5	-62.7	86	0	0	0	112.6	R341 S347	R341-N345 CarbonylContact O-C 3.4Å; R341-N345 PolarHBondContact O-N 3.43Å; N345-S347 PolarHBondContact O-N 3.14Å; N345-S347 VanDerWaalsContact O-N 3.16Å
346	N	90.7	Very high	96.1	Very high	130 Å²	130	49.4 Å²	49.4	70%	0.695	25%	0.25	S	C	*	.			trans	51.9	32.8	-172.7	-61.9	-30.6	0	0	0	113.3	R341 Q348	R341-N346 PolarHBondContact O-N 3.43Å; N346-Q348 PolarHBondContact O-N 3.5Å
347	S	93.6	Very high	96.1	Very high	23 Å²	23	47 Å²	47	16%	0.161	23%	0.23	C	C	.	.			trans	-63.5	129.5	176.5	-178.2	0	0	0	0	110.1	R341 Q342 N345 V349	R341-S347 PolarHBondContact O-N 3.16Å; R341-S347 VanDerWaalsContact O-N 3.12Å; Q342-S347 WeakPolarHBondContact CA-O 3.25Å; Q342-S347 WeakPolarHBondContact CG-O 3.49Å; N345-S347 PolarHBondContact O-N 3.14Å; N345-S347 VanDerWaalsContact O-N 3.16Å; S347-V349 PolarHBondContact O-N 2.73Å; S347-V349 PolarHBondContact OG-N 2.83Å
348	Q	95.1	Very high	96.1	Very high	103 Å²	103	44.8 Å²	44.8	48%	0.481	22%	0.222	S	C	.	.			trans	-91.4	25.9	176.1	-64.6	-66.6	-14.5	0	0	112.2	Y61 L62 N346	Y61-Q348 WeakPolarHBondContact CA-O 3.4Å; L62-Q348 PolarHBondContact N-O 3.11Å; N346-Q348 PolarHBondContact O-N 3.5Å
349	V	98.1	Very high	96.1	Very high	19 Å²	19	44.8 Å²	44.8	12%	0.115	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.2	177.4	-177	0	0	0	0	109.6	L62 I64 L296 V338 Q342 S347	L62-V349 HydrophobicContact CD2-CG2 4.34Å; L62-V349 WeakPolarHBondContact O-CA 3.46Å; I64-V349 HydrophobicContact CG1-CG1 3.72Å; L296-V349 HydrophobicContact CD2-CB 4.05Å; L296-V349 HydrophobicContact CD2-CG1 3.88Å; L296-V349 HydrophobicContact CD2-CG2 4.04Å; V338-V349 HydrophobicContact CG1-CG1 4.21Å; Q342-V349 PolarHBondContact NE2-O 3.06Å; S347-V349 PolarHBondContact O-N 2.73Å; S347-V349 PolarHBondContact OG-N 2.83Å
350	N	98.4	Very high	96.1	Very high	9 Å²	9	43.1 Å²	43.1	5%	0.048	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.1	177.8	176.3	67.2	0	0	0	110.3	K58 Y61 L62 N63 I64 N339	K58-N350 HydrophobicContact CD-CB 4.31Å; K58-N350 VanDerWaalsContact CE-OD1 3.28Å; K58-N350 WeakPolarHBondContact CE-OD1 3.19Å; K58-N350 HydrophobicContact CG-CB 4.5Å; Y61-N350 HydrophobicContact CD1-CB 3.95Å; Y61-N350 HydrophobicContact CG-CB 4.21Å; L62-N350 PolarHBondContact O-N 2.89Å; N63-N350 CarbonylContact C-O 3.55Å; N63-N350 WeakPolarHBondContact CA-O 3.44Å; N63-N350 PolarHBondContact OD1-ND2 3.19Å; I64-N350 PolarHBondContact N-O 3.04Å; N339-N350 WeakPolarHBondContact OD1-CA 3.24Å
351	L	98.4	Very high	96.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133	179	-163.7	59.3	0	0	0	110.3	I64 L66 F295 L334 I335 V338 N339	I64-L351 HydrophobicContact CB-CD1 3.42Å; I64-L351 VanDerWaalsContact CB-CD1 3.42Å; I64-L351 HydrophobicContact CG1-CD1 4.41Å; I64-L351 HydrophobicContact CG2-CD1 3.29Å; L66-L351 HydrophobicContact CD1-CD1 3.98Å; L66-L351 HydrophobicContact CD1-CD2 4.01Å; L66-L351 HydrophobicContact CD1-CG 3.92Å; L66-L351 HydrophobicContact CD2-CD1 3.67Å; L66-L351 HydrophobicContact CG-CD1 3.57Å; L66-L351 HydrophobicContact CG-CD2 4.5Å; L66-L351 HydrophobicContact CG-CG 4.02Å; F295-L351 HydrophobicContact CD1-CD2 4.43Å; F295-L351 HydrophobicContact CE1-CD1 3.79Å; F295-L351 HydrophobicContact CE1-CD2 3.69Å; F295-L351 HydrophobicContact CE1-CG 4.42Å; F295-L351 HydrophobicContact CZ-CD1 3.85Å; F295-L351 HydrophobicContact CZ-CD2 4.05Å; L334-L351 HydrophobicContact CD2-CD2 4.21Å; L334-L351 HydrophobicContact CG-CD2 3.81Å; I335-L351 HydrophobicContact CG1-CB 4.49Å; I335-L351 HydrophobicContact CG1-CD2 4.04Å; I335-L351 HydrophobicContact CG1-CG 3.9Å; V338-L351 HydrophobicContact CB-CB 4.24Å; V338-L351 HydrophobicContact CB-CD2 4.03Å; V338-L351 HydrophobicContact CG1-CB 3.91Å; V338-L351 HydrophobicContact CG1-CD2 4.3Å; V338-L351 HydrophobicContact CG2-CD2 3.96Å; N339-L351 PolarHBondContact ND2-O 3.06Å; N339-L351 PolarHBondContact OD1-N 3.45Å
352	L	98.4	Very high	96.3	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	152.7	179.3	63.7	149.7	0	0	0	112.3	N55 N63 I64 L66	N55-L352 HydrophobicContact CB-CD1 4.1Å; N55-L352 VanDerWaalsContact O-CD1 3.31Å; N55-L352 WeakPolarHBondContact O-CD1 3.33Å; N63-L352 HydrophobicContact CB-CD2 4.36Å; I64-L352 WeakPolarHBondContact O-CD2 3.39Å; I64-L352 PolarHBondContact O-N 3.08Å; L66-L352 PolarHBondContact N-O 3.48Å
353	Y	98.6	Very high	96.4	Very high	21 Å²	21	37.6 Å²	37.6	8%	0.082	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	134.5	160.8	-76.3	-67.9	0	0	0	110.4	P68 K112 R113 Y328 M331 D332 I335	P68-Y353 HydrophobicContact CG-CD1 4.01Å; P68-Y353 HydrophobicContact CG-CE1 4.12Å; K112-Y353 HydrophobicContact CB-CD2 4.45Å; K112-Y353 WeakPolarHBondContact O-CB 3.47Å; K112-Y353 WeakPolarHBondContact O-CD2 3.18Å; R113-Y353 HydrophobicContact CG-CE2 4.12Å; Y328-Y353 AromaticContact CD1-CE1 3.91Å; Y328-Y353 HydrophobicContact CD1-CE1 3.91Å; Y328-Y353 AromaticContact CD1-CZ 3.94Å; Y328-Y353 WeakPolarHBondContact CD1-OH 3.33Å; Y328-Y353 AromaticContact CE1-CE1 3.83Å; Y328-Y353 HydrophobicContact CE1-CE1 3.83Å; M331-Y353 HydrophobicContact CE-CD1 4.48Å; M331-Y353 HydrophobicContact CE-CE1 3.46Å; M331-Y353 VanDerWaalsContact CE-CE1 3.46Å; M331-Y353 HydrophobicContact CG-CE1 3.65Å; M331-Y353 WeakPolarHBondContact CG-OH 3.04Å; M331-Y353 HydrophobicContact SD-CD1 4.1Å; M331-Y353 HydrophobicContact SD-CE1 3.38Å; M331-Y353 WeakPolarHBondContact SD-CE1 3.41Å; D332-Y353 PolarHBondContact N-OH 3.45Å; D332-Y353 VanDerWaalsContact OD1-CE2 3.3Å; D332-Y353 WeakPolarHBondContact OD1-CE2 3.35Å; D332-Y353 PolarHBondContact OD1-OH 2.94Å; I335-Y353 HydrophobicContact CD1-CD1 4.21Å; I335-Y353 HydrophobicContact CD1-CD2 3.48Å; I335-Y353 VanDerWaalsContact CD1-CD2 3.48Å; I335-Y353 HydrophobicContact CD1-CE1 4.08Å; I335-Y353 HydrophobicContact CD1-CE2 3.3Å; I335-Y353 HydrophobicContact CD1-CG 3.92Å
354	S	98.2	Very high	96.7	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.021	15%	0.153	C	C	.	.			trans	-145.9	177.1	-179.6	-167.9	0	0	0	0	110.9	H65 L66	H65-S354 WeakPolarHBondContact ND1-CB 3.37Å; H65-S354 PolarHBondContact ND1-OG 3.1Å; L66-S354 CarbonylContact O-C 3.51Å; L66-S354 WeakPolarHBondContact O-CA 3.41Å; L66-S354 PolarHBondContact O-N 2.99Å
355	T	98.2	Very high	97.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.146	C	C	.	.			trans	-129	166.8	168.3	63.8	0	0	0	0	108.8	R114 Q148 A357 C358 Y359	R114-T355 HydrophobicContact CB-CG2 4.15Å; R114-T355 HydrophobicContact CG-CG2 4.47Å; Q148-T355 HydrophobicContact CB-CG2 4.01Å; Q148-T355 PolarHBondContact OE1-OG1 3.41Å; T355-A357 VanDerWaalsContact C-N 3.32Å; T355-A357 PolarHBondContact O-N 2.82Å; T355-C358 PolarHBondContact O-N 2.78Å; T355-C358 PolarHBondContact OG1-N 3.47Å; T355-C358 PolarHBondContact OG1-SG 3.45Å; T355-C358 VanDerWaalsContact OG1-SG 3.33Å; T355-Y359 PolarHBondContact O-N 2.92Å
356	P	98.4	Very high	97.5	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.013	12%	0.124	C	C	.	.	H	α-helix	trans	-55.5	-44.7	174.3	-31.6	41.3	0	0	0	112.7	V67 T116 V190 W192 Y216 M312 C358 Y359 T360	V67-P356 HydrophobicContact CG1-CG 3.89Å; T116-P356 HydrophobicContact CG2-CG 4.04Å; T116-P356 WeakPolarHBondContact OG1-CD 3.12Å; V190-P356 HydrophobicContact CG2-CB 3.68Å; W192-P356 HydrophobicContact CE3-CB 3.9Å; W192-P356 HydrophobicContact CE3-CG 3.61Å; W192-P356 HydrophobicContact CH2-CB 4.46Å; W192-P356 HydrophobicContact CH2-CG 3.63Å; W192-P356 HydrophobicContact CZ3-CB 3.54Å; W192-P356 HydrophobicContact CZ3-CG 3.12Å; Y216-P356 HydrophobicContact CD2-CB 4.17Å; Y216-P356 HydrophobicContact CE2-CB 3.93Å; Y216-P356 PolarHBondContact OH-O 3.21Å; M312-P356 HydrophobicContact CE-CB 4.43Å; P356-C358 PolarHBondContact O-N 3.36Å; P356-Y359 WeakPolarHBondContact O-CB 3.34Å; P356-Y359 PolarHBondContact O-N 3.47Å; P356-T360 PolarHBondContact O-N 2.69Å; P356-T360 PolarHBondContact O-OG1 3.45Å
357	A	98.1	Very high	97.8	Very high	3 Å²	3	18.3 Å²	18.3	3%	0.025	9%	0.091	C	C	.	.	H	α-helix	trans	-63.2	-41.1	178	0	0	0	0	0	112.5	Y51 L189 V190 T355 Y359 T360 K361	Y51-A357 HydrophobicContact CD1-CB 4.36Å; Y51-A357 HydrophobicContact CE1-CB 3.93Å; Y51-A357 VanDerWaalsContact CE1-O 3.23Å; Y51-A357 WeakPolarHBondContact CE1-O 3.19Å; L189-A357 HydrophobicContact CB-CB 4.04Å; L189-A357 HydrophobicContact CD1-CB 4.13Å; V190-A357 HydrophobicContact CG1-CB 4.22Å; T355-A357 VanDerWaalsContact C-N 3.32Å; T355-A357 PolarHBondContact O-N 2.82Å; A357-Y359 VanDerWaalsContact C-N 3.31Å; A357-Y359 PolarHBondContact O-N 2.8Å; A357-T360 WeakPolarHBondContact O-CB 3.47Å; A357-T360 PolarHBondContact O-N 2.52Å; A357-K361 PolarHBondContact O-N 3.27Å
358	C	98.3	Very high	97.9	Very high	7 Å²	7	20.4 Å²	20.4	5%	0.047	10%	0.101	C	C	.	.	H	α-helix	trans	-68.8	-32.9	177.5	-65.4	0	0	0	0	112.8	C54 T355 P356 A362	C54-C358 WeakPolarHBondContact CA-SG 3.41Å; C54-C358 HydrophobicContact CB-CB 3.63Å; C54-C358 WeakPolarHBondContact CB-SG 3.48Å; C54-C358 WeakPolarHBondContact SG-CA 3.38Å; C54-C358 WeakPolarHBondContact SG-CB 3.35Å; C54-C358 CovalentContact SG-SG 2.05Å; C54-C358 PolarHBondContact SG-SG 2.85Å; T355-C358 PolarHBondContact O-N 2.78Å; T355-C358 PolarHBondContact OG1-N 3.47Å; T355-C358 PolarHBondContact OG1-SG 3.45Å; T355-C358 VanDerWaalsContact OG1-SG 3.33Å; P356-C358 PolarHBondContact O-N 3.36Å; C358-A362 PolarHBondContact O-N 3.37Å; C358-A362 VanDerWaalsContact O-N 3.16Å
359	Y	98.6	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.5	-47.7	168.8	178.3	-95.6	0	0	0	111.5	H65 Y216 E235 H310 M312 T355 P356 A357 K361 A362 V363	H65-Y359 HydrophobicContact CB-CD2 3.91Å; H65-Y359 AromaticContact CD2-CD2 3.78Å; H65-Y359 AromaticContact CG-CD2 3.75Å; Y216-Y359 HydrophobicContact CE1-CD1 4.04Å; Y216-Y359 HydrophobicContact CE1-CE1 4.28Å; Y216-Y359 WeakPolarHBondContact OH-CD1 3.24Å; E235-Y359 VanDerWaalsContact OE1-CE1 3.32Å; E235-Y359 WeakPolarHBondContact OE1-CE1 3.27Å; E235-Y359 VanDerWaalsContact OE1-CZ 3.25Å; E235-Y359 PolarHBondContact OE1-OH 3.22Å; H310-Y359 HydrophobicContact CB-CD2 4.45Å; H310-Y359 HydrophobicContact CB-CE2 4.02Å; H310-Y359 WeakPolarHBondContact O-CE2 3.22Å; H310-Y359 PolarHBondContact O-OH 2.79Å; M312-Y359 HydrophobicContact CB-CD1 4.34Å; M312-Y359 HydrophobicContact CB-CD2 3.88Å; M312-Y359 HydrophobicContact CB-CE1 4.24Å; M312-Y359 HydrophobicContact CB-CE2 3.75Å; M312-Y359 HydrophobicContact CB-CG 4.14Å; M312-Y359 HydrophobicContact CE-CD1 3.22Å; M312-Y359 HydrophobicContact CE-CD2 4.25Å; M312-Y359 HydrophobicContact CE-CE1 3.9Å; M312-Y359 HydrophobicContact CE-CG 3.4Å; T355-Y359 PolarHBondContact O-N 2.92Å; P356-Y359 WeakPolarHBondContact O-CB 3.34Å; P356-Y359 PolarHBondContact O-N 3.47Å; A357-Y359 VanDerWaalsContact C-N 3.31Å; A357-Y359 PolarHBondContact O-N 2.8Å; Y359-K361 VanDerWaalsContact C-N 3.27Å; Y359-K361 PolarHBondContact O-N 3.19Å; Y359-A362 WeakPolarHBondContact O-CB 3.33Å; Y359-A362 PolarHBondContact O-N 3.46Å; Y359-V363 HydrophobicContact CD1-CG1 4.21Å; Y359-V363 HydrophobicContact CD1-CG2 4.45Å; Y359-V363 HydrophobicContact CD2-CG1 4.37Å; Y359-V363 HydrophobicContact CE1-CG1 3.7Å; Y359-V363 HydrophobicContact CE1-CG2 4.31Å; Y359-V363 HydrophobicContact CE2-CG1 3.86Å; Y359-V363 WeakPolarHBondContact O-CG2 3.32Å; Y359-V363 PolarHBondContact O-N 3.07Å
360	T	98.6	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-52.2	-46.3	176.7	-47.8	0	0	0	0	111.6	V190 A214 Y216 F252 P356 A357 V363 N364 L1093 W1095	V190-T360 WeakPolarHBondContact CG1-OG1 3.4Å; A214-T360 HydrophobicContact CB-CG2 3.64Å; Y216-T360 PolarHBondContact OH-OG1 3.04Å; F252-T360 HydrophobicContact CD1-CG2 4.19Å; P356-T360 PolarHBondContact O-N 2.69Å; P356-T360 PolarHBondContact O-OG1 3.45Å; A357-T360 WeakPolarHBondContact O-CB 3.47Å; A357-T360 PolarHBondContact O-N 2.52Å; T360-V363 VanDerWaalsContact O-CG2 3.23Å; T360-V363 WeakPolarHBondContact O-CG2 3.31Å; T360-N364 WeakPolarHBondContact O-CB 2.95Å; T360-N364 PolarHBondContact O-N 3.3Å; T360-L1093 HydrophobicContact CG2-CD1 3.83Å; T360-W1095 HydrophobicContact CG2-CH2 4.31Å; T360-W1095 HydrophobicContact CG2-CZ2 4.02Å
361	K	98.3	Very high	97.7	Very high	42 Å²	42	27 Å²	27	18%	0.183	14%	0.135	C	C	.	.	H	α-helix	trans	-63.6	-42.9	177.8	179.6	167.8	178.8	-161.6	0	112.3	Y51 L56 A357 Y359 N364 E365	Y51-K361 HydrophobicContact CD1-CB 3.78Å; Y51-K361 HydrophobicContact CD1-CD 4.06Å; Y51-K361 HydrophobicContact CE1-CB 4.15Å; Y51-K361 HydrophobicContact CG-CB 4.42Å; Y51-K361 HydrophobicContact CG-CD 3.93Å; Y51-K361 PolarHBondContact O-NZ 3.28Å; L56-K361 HydrophobicContact CD1-CD 4.27Å; L56-K361 HydrophobicContact CD1-CG 4.1Å; L56-K361 HydrophobicContact CD2-CB 3.98Å; L56-K361 HydrophobicContact CD2-CD 4.01Å; L56-K361 HydrophobicContact CD2-CG 3.79Å; A357-K361 PolarHBondContact O-N 3.27Å; Y359-K361 VanDerWaalsContact C-N 3.27Å; Y359-K361 PolarHBondContact O-N 3.19Å; K361-N364 PolarHBondContact O-N 3.06Å; K361-E365 WeakPolarHBondContact CE-OE1 3.01Å; K361-E365 PolarHBondContact O-N 3.08Å
362	A	98.6	Very high	97.5	Very high	2 Å²	2	30.1 Å²	30.1	2%	0.017	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-46.5	-179.4	0	0	0	0	0	111.8	L56 H310 C358 Y359 N364 E365 E366	L56-A362 HydrophobicContact CB-CB 4.31Å; L56-A362 HydrophobicContact CD2-CB 4.09Å; H310-A362 WeakPolarHBondContact ND1-CB 3.29Å; C358-A362 PolarHBondContact O-N 3.37Å; C358-A362 VanDerWaalsContact O-N 3.16Å; Y359-A362 WeakPolarHBondContact O-CB 3.33Å; Y359-A362 PolarHBondContact O-N 3.46Å; A362-N364 VanDerWaalsContact C-N 3.34Å; A362-N364 PolarHBondContact O-N 3.48Å; A362-E365 PolarHBondContact O-N 3.27Å; A362-E366 PolarHBondContact O-N 3.35Å
363	V	98.2	Very high	97.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.6	-34.4	175.6	-61.6	0	0	0	0	111.9	F252 T308 H310 Y359 T360 E366 F367 W1095	F252-V363 HydrophobicContact CE1-CG2 3.83Å; F252-V363 HydrophobicContact CE2-CG2 4.18Å; F252-V363 HydrophobicContact CZ-CB 4.45Å; F252-V363 HydrophobicContact CZ-CG2 3.55Å; T308-V363 HydrophobicContact CG2-CB 4.32Å; T308-V363 HydrophobicContact CG2-CG1 4.35Å; H310-V363 HydrophobicContact CB-CG1 3.85Å; Y359-V363 HydrophobicContact CD1-CG1 4.21Å; Y359-V363 HydrophobicContact CD1-CG2 4.45Å; Y359-V363 HydrophobicContact CD2-CG1 4.37Å; Y359-V363 HydrophobicContact CE1-CG1 3.7Å; Y359-V363 HydrophobicContact CE1-CG2 4.31Å; Y359-V363 HydrophobicContact CE2-CG1 3.86Å; Y359-V363 WeakPolarHBondContact O-CG2 3.32Å; Y359-V363 PolarHBondContact O-N 3.07Å; T360-V363 VanDerWaalsContact O-CG2 3.23Å; T360-V363 WeakPolarHBondContact O-CG2 3.31Å; V363-E366 PolarHBondContact O-N 3.37Å; V363-F367 HydrophobicContact CB-CD2 4.12Å; V363-F367 HydrophobicContact CB-CE2 4.23Å; V363-F367 WeakPolarHBondContact O-CB 3.37Å; V363-F367 WeakPolarHBondContact O-CD2 3.47Å; V363-F367 PolarHBondContact O-N 3.33Å; V363-W1095 HydrophobicContact CG2-CH2 4.09Å; V363-W1095 HydrophobicContact CG2-CZ3 4.48Å
364	N	97.9	Very high	97	Very high	11 Å²	11	31.8 Å²	31.8	6%	0.059	16%	0.164	C	C	.	.	H	α-helix	trans	-60.5	-46	175.3	179.7	-101.1	0	0	0	112.1	T360 K361 A362 E366 N368 L1093 K1094 W1095	T360-N364 WeakPolarHBondContact O-CB 2.95Å; T360-N364 PolarHBondContact O-N 3.3Å; K361-N364 PolarHBondContact O-N 3.06Å; A362-N364 VanDerWaalsContact C-N 3.34Å; A362-N364 PolarHBondContact O-N 3.48Å; N364-E366 VanDerWaalsContact C-N 3.3Å; N364-E366 PolarHBondContact O-N 3.4Å; N364-N368 WeakPolarHBondContact O-CB 2.93Å; N364-N368 PolarHBondContact O-N 2.93Å; N364-N368 PolarHBondContact O-ND2 3.49Å; N364-N368 PolarHBondContact OD1-ND2 3.18Å; N364-L1093 HydrophobicContact CB-CD1 4.09Å; N364-K1094 PolarHBondContact ND2-O 2.91Å; N364-W1095 HydrophobicContact CB-CH2 3.7Å; N364-W1095 HydrophobicContact CB-CZ2 4.06Å; N364-W1095 HydrophobicContact CB-CZ3 3.95Å; N364-W1095 VanDerWaalsContact ND2-CD2 3.34Å
365	E	97.3	Very high	96.6	Very high	101 Å²	101	33.8 Å²	33.8	47%	0.472	17%	0.171	S	C	.	.	H	α-helix	trans	-60.8	-41.4	175.4	-72.3	-178.8	-168.9	0	0	111.3	L56 K361 A362 N368 R369	L56-E365 VanDerWaalsContact CD1-CD 3.44Å; L56-E365 WeakPolarHBondContact CD1-OE1 3.29Å; L56-E365 VanDerWaalsContact CD1-OE2 3.29Å; L56-E365 WeakPolarHBondContact CD1-OE2 3.42Å; K361-E365 WeakPolarHBondContact CE-OE1 3.01Å; K361-E365 PolarHBondContact O-N 3.08Å; A362-E365 PolarHBondContact O-N 3.27Å; E365-N368 PolarHBondContact O-N 2.77Å; E365-R369 PolarHBondContact O-N 3.14Å
366	E	97.3	Very high	96.3	Very high	25 Å²	25	33.8 Å²	33.8	12%	0.117	17%	0.171	C	C	.	.	H	α-helix	trans	-71.2	-41.6	-179.8	-177.7	60	-172.3	0	0	113.1	T308 N309 A362 V363 N364 N368 R369 I370	T308-E366 HydrophobicContact CG2-CB 4.15Å; T308-E366 HydrophobicContact CG2-CG 3.78Å; N309-E366 WeakPolarHBondContact OD1-CG 3.48Å; A362-E366 PolarHBondContact O-N 3.35Å; V363-E366 PolarHBondContact O-N 3.37Å; N364-E366 VanDerWaalsContact C-N 3.3Å; N364-E366 PolarHBondContact O-N 3.4Å; E366-N368 VanDerWaalsContact C-N 3.33Å; E366-N368 PolarHBondContact O-N 3.09Å; E366-R369 WeakPolarHBondContact O-CB 3.24Å; E366-R369 PolarHBondContact O-N 2.8Å; E366-R369 VanDerWaalsContact O-N 3.15Å; E366-R369 IonicContact OE1-CZ 3.47Å; E366-R369 IonicContact OE1-NE 3.53Å; E366-R369 PolarHBondContact OE1-NE 3.25Å; E366-R369 IonicContact OE1-NH2 3.58Å; E366-R369 PolarHBondContact OE1-NH2 3.5Å; E366-R369 IonicContact OE2-CZ 2.7Å; E366-R369 IonicContact OE2-NE 2.81Å; E366-R369 PolarHBondContact OE2-NE 3.03Å; E366-R369 IonicContact OE2-NH2 2.7Å; E366-I370 HydrophobicContact CG-CD1 4.09Å; E366-I370 VanDerWaalsContact O-CG1 3.29Å; E366-I370 WeakPolarHBondContact O-CG1 3.18Å; E366-I370 PolarHBondContact O-N 2.76Å
367	F	97.3	Very high	95.9	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-38	174.6	-84.9	-67.4	0	0	0	111.9	E235 F252 K307 T308 V363 R369 I370 G371 T372 I373 W1095 P1096	E235-F367 HydrophobicContact CB-CE2 4.22Å; E235-F367 HydrophobicContact CB-CZ 4.06Å; F252-F367 HydrophobicContact CE2-CD2 4.4Å; F252-F367 AromaticContact CE2-CE2 3.95Å; F252-F367 HydrophobicContact CE2-CE2 3.95Å; K307-F367 HydrophobicContact CB-CE1 4.44Å; K307-F367 HydrophobicContact CB-CZ 4.48Å; K307-F367 HydrophobicContact CD-CE1 3.99Å; T308-F367 HydrophobicContact CG2-CD2 3.81Å; T308-F367 HydrophobicContact CG2-CE1 4.36Å; T308-F367 HydrophobicContact CG2-CE2 3.52Å; T308-F367 HydrophobicContact CG2-CG 4.32Å; T308-F367 HydrophobicContact CG2-CZ 3.84Å; V363-F367 HydrophobicContact CB-CD2 4.12Å; V363-F367 HydrophobicContact CB-CE2 4.23Å; V363-F367 WeakPolarHBondContact O-CB 3.37Å; V363-F367 WeakPolarHBondContact O-CD2 3.47Å; V363-F367 PolarHBondContact O-N 3.33Å; F367-R369 VanDerWaalsContact C-N 3.32Å; F367-I370 PolarHBondContact O-N 3.04Å; F367-G371 PolarHBondContact O-N 2.88Å; F367-T372 WeakPolarHBondContact CD1-O 3.14Å; F367-I373 HydrophobicContact CD1-CB 3.85Å; F367-I373 HydrophobicContact CD1-CD1 4.16Å; F367-I373 HydrophobicContact CD1-CG1 3.93Å; F367-I373 HydrophobicContact CD2-CD1 4.06Å; F367-I373 HydrophobicContact CE1-CB 4.09Å; F367-I373 HydrophobicContact CE1-CD1 4.09Å; F367-I373 HydrophobicContact CE1-CG1 3.73Å; F367-I373 HydrophobicContact CE2-CD1 4.04Å; F367-I373 HydrophobicContact CG-CB 4.39Å; F367-I373 HydrophobicContact CG-CD1 4.13Å; F367-I373 HydrophobicContact CG-CG1 4.4Å; F367-I373 HydrophobicContact CZ-CD1 4.05Å; F367-I373 HydrophobicContact CZ-CG1 4.08Å; F367-W1095 HydrophobicContact CB-CE3 4.4Å; F367-W1095 HydrophobicContact CB-CZ3 4.4Å; F367-W1095 AromaticContact CD2-CZ3 3.92Å; F367-W1095 HydrophobicContact CD2-CZ3 3.92Å; F367-W1095 HydrophobicContact CG-CZ3 4.49Å; F367-P1096 HydrophobicContact CB-CG 4.07Å
368	N	96.5	Very high	95.6	Very high	68 Å²	68	34.3 Å²	34.3	36%	0.364	18%	0.177	S	C	.	.	H	α-helix	trans	-63.9	-37.2	172	-80.2	-45.8	0	0	0	112	N364 E365 E366 G371 K1094 P1096	N364-N368 WeakPolarHBondContact O-CB 2.93Å; N364-N368 PolarHBondContact O-N 2.93Å; N364-N368 PolarHBondContact O-ND2 3.49Å; N364-N368 PolarHBondContact OD1-ND2 3.18Å; E365-N368 PolarHBondContact O-N 2.77Å; E366-N368 VanDerWaalsContact C-N 3.33Å; E366-N368 PolarHBondContact O-N 3.09Å; N368-G371 PolarHBondContact O-N 2.65Å; N368-K1094 PolarHBondContact ND2-O 2.83Å; N368-P1096 WeakPolarHBondContact OD1-CD 3.21Å
369	R	95.8	Very high	95.5	Very high	173 Å²	173	34 Å²	34	65%	0.653	18%	0.175	S	C	*	.	H	α-helix	trans	-65.5	-39	173.2	-167.6	-167.2	69	72.7	-1.1	112.5	E365 E366 F367 G371	E365-R369 PolarHBondContact O-N 3.14Å; E366-R369 WeakPolarHBondContact O-CB 3.24Å; E366-R369 PolarHBondContact O-N 2.8Å; E366-R369 VanDerWaalsContact O-N 3.15Å; E366-R369 IonicContact OE1-CZ 3.47Å; E366-R369 IonicContact OE1-NE 3.53Å; E366-R369 PolarHBondContact OE1-NE 3.25Å; E366-R369 IonicContact OE1-NH2 3.58Å; E366-R369 PolarHBondContact OE1-NH2 3.5Å; E366-R369 IonicContact OE2-CZ 2.7Å; E366-R369 IonicContact OE2-NE 2.81Å; E366-R369 PolarHBondContact OE2-NE 3.03Å; E366-R369 IonicContact OE2-NH2 2.7Å; F367-R369 VanDerWaalsContact C-N 3.32Å; R369-G371 VanDerWaalsContact C-N 3.33Å
370	I	95	Very high	95.4	Very high	54 Å²	54	34.3 Å²	34.3	28%	0.277	18%	0.177	S	C	.	.	H	α-helix	trans	-69.6	-33.7	175.4	-68	164.4	0	0	0	111	K307 E366 F367 T372	K307-I370 HydrophobicContact CG-CD1 4.41Å; E366-I370 HydrophobicContact CG-CD1 4.09Å; E366-I370 VanDerWaalsContact O-CG1 3.29Å; E366-I370 WeakPolarHBondContact O-CG1 3.18Å; E366-I370 PolarHBondContact O-N 2.76Å; F367-I370 PolarHBondContact O-N 3.04Å; I370-T372 VanDerWaalsContact C-N 3.35Å
371	G	95.1	Very high	95.4	Very high	42 Å²	42	34.7 Å²	34.7	43%	0.433	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	2.2	-179.4	0	0	0	0	0	114.8	F367 N368 R369 P1096	F367-G371 PolarHBondContact O-N 2.88Å; N368-G371 PolarHBondContact O-N 2.65Å; R369-G371 VanDerWaalsContact C-N 3.33Å; G371-P1096 VanDerWaalsContact C-CB 3.46Å; G371-P1096 WeakPolarHBondContact O-CB 3.49Å
372	T	94.2	Very high	95.3	Very high	67 Å²	67	32.8 Å²	32.8	41%	0.411	17%	0.17	S	C	.	.			trans	-149.2	142.4	-178.4	107.3	0	0	0	0	112.5	K307 F367 I370	K307-T372 PolarHBondContact NZ-O 3.25Å; K307-T372 VanDerWaalsContact NZ-O 3.16Å; K307-T372 PolarHBondContact NZ-OG1 3.01Å; F367-T372 WeakPolarHBondContact CD1-O 3.14Å; I370-T372 VanDerWaalsContact C-N 3.35Å
373	I	94.4	Very high	95.3	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.046	17%	0.173	C	C	.	.			trans	-135.9	144.5	169.1	-169.9	168.3	0	0	0	108.9	L237 F252 F367 W1095 P1096	L237-I373 HydrophobicContact CB-CD1 4.47Å; L237-I373 HydrophobicContact CB-CG2 4.03Å; L237-I373 HydrophobicContact CD2-CG2 4.3Å; F252-I373 HydrophobicContact CD2-CD1 3.81Å; F252-I373 HydrophobicContact CE2-CD1 3.99Å; F367-I373 HydrophobicContact CD1-CB 3.85Å; F367-I373 HydrophobicContact CD1-CD1 4.16Å; F367-I373 HydrophobicContact CD1-CG1 3.93Å; F367-I373 HydrophobicContact CD2-CD1 4.06Å; F367-I373 HydrophobicContact CE1-CB 4.09Å; F367-I373 HydrophobicContact CE1-CD1 4.09Å; F367-I373 HydrophobicContact CE1-CG1 3.73Å; F367-I373 HydrophobicContact CE2-CD1 4.04Å; F367-I373 HydrophobicContact CG-CB 4.39Å; F367-I373 HydrophobicContact CG-CD1 4.13Å; F367-I373 HydrophobicContact CG-CG1 4.4Å; F367-I373 HydrophobicContact CZ-CD1 4.05Å; F367-I373 HydrophobicContact CZ-CG1 4.08Å; I373-W1095 HydrophobicContact CD1-CE3 3.93Å; I373-W1095 HydrophobicContact CD1-CZ3 4.18Å; I373-P1096 HydrophobicContact CB-CG 4.03Å; I373-P1096 HydrophobicContact CG2-CG 3.86Å
374	D	92.5	Very high	95.2	Very high	56 Å²	56	33.6 Å²	33.6	30%	0.299	17%	0.173	S	C	.	.			trans	-74.6	148.9	177	-67.6	-56.2	0	0	0	111	Q233 V236 L237	Q233-D374 WeakPolarHBondContact CG-OD2 3.4Å; Q233-D374 PolarHBondContact NE2-OD1 2.82Å; Q233-D374 PolarHBondContact NE2-OD2 2.92Å; V236-D374 CarbonylContact C-O 3.52Å; V236-D374 VanDerWaalsContact CA-O 3.31Å; V236-D374 WeakPolarHBondContact CA-O 3.47Å; V236-D374 WeakPolarHBondContact CB-O 3.34Å; V236-D374 HydrophobicContact CG1-CB 4.25Å; L237-D374 PolarHBondContact N-O 3.44Å
375	R	91	Very high	95.2	Very high	45 Å²	45	35 Å²	35	17%	0.17	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	156	179	-56.6	-170.4	78.8	104.8	7	112.1	L237 D239 E246 G248	L237-R375 HydrophobicContact CB-CG 4.39Å; L237-R375 CarbonylContact O-C 3.58Å; L237-R375 VanDerWaalsContact O-CA 3.24Å; L237-R375 WeakPolarHBondContact O-CA 3.46Å; D239-R375 IonicContact OD1-CZ 3.37Å; D239-R375 VanDerWaalsContact OD1-CZ 3.27Å; D239-R375 IonicContact OD1-NE 2.71Å; D239-R375 PolarHBondContact OD1-NE 2.93Å; D239-R375 VanDerWaalsContact OD1-NE 3.15Å; D239-R375 IonicContact OD1-NH2 2.74Å; D239-R375 PolarHBondContact OD1-NH2 3.33Å; D239-R375 IonicContact OD2-CZ 2.76Å; D239-R375 IonicContact OD2-NE 3.16Å; D239-R375 PolarHBondContact OD2-NE 2.85Å; D239-R375 IonicContact OD2-NH2 2.72Å; E246-R375 PolarHBondContact O-NH1 3.32Å; G248-R375 PolarHBondContact O-NH1 3.26Å; G248-R375 PolarHBondContact O-NH2 3.04Å
376	R	91.3	Very high	95.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	129.7	-179.3	-173.4	-88.4	177.5	-178.8	-2.7	110.3	V236 L237 W238 D239 G378 D379 F380	V236-R376 HydrophobicContact CB-CB 4.22Å; V236-R376 HydrophobicContact CG2-CB 3.78Å; L237-R376 PolarHBondContact O-N 3.16Å; W238-R376 CarbonylContact C-O 3.6Å; W238-R376 WeakPolarHBondContact CA-O 3.34Å; W238-R376 VanDerWaalsContact CE2-NH1 3.3Å; D239-R376 PolarHBondContact N-O 3.06Å; R376-G378 PolarHBondContact NH1-O 2.93Å; R376-G378 VanDerWaalsContact NH1-O 3.07Å; R376-D379 PolarHBondContact NH2-O 2.8Å; R376-F380 HydrophobicContact CG-CZ 4.43Å; R376-F380 VanDerWaalsContact CZ-CD2 3.46Å; R376-F380 VanDerWaalsContact CZ-CE1 3.47Å; R376-F380 VanDerWaalsContact NH2-CD1 3.31Å
377	G	90	Very high	95	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	19%	0.185	C	C	.	.			trans	-106	179.8	177.1	0	0	0	0	0	113.1
378	G	92.5	Very high	94.9	Very high	15 Å²	15	36.5 Å²	36.5	16%	0.155	20%	0.197	C	C	.	.	S	Bend	trans	71.5	-158.9	175.6	0	0	0	0	0	114.5	R201 W238 R376	R201-G378 WeakPolarHBondContact CB-O 3.31Å; W238-G378 WeakPolarHBondContact CZ2-O 3.5Å; W238-G378 PolarHBondContact NE1-O 3.36Å; R376-G378 PolarHBondContact NH1-O 2.93Å; R376-G378 VanDerWaalsContact NH1-O 3.07Å
379	D	95.7	Very high	95	Very high	2 Å²	2	34 Å²	34	1%	0.011	19%	0.185	C	C	.	.			trans	-125.8	166.7	179.9	71.4	12.2	0	0	0	110.8	H199 R201 R376 F381 I849 R851 D858	H199-D379 WeakPolarHBondContact O-CB 3.47Å; R201-D379 HydrophobicContact CB-CB 4.1Å; R376-D379 PolarHBondContact NH2-O 2.8Å; D379-F381 HydrophobicContact CB-CD2 4.29Å; D379-F381 PolarHBondContact O-N 2.87Å; D379-F381 PolarHBondContact OD1-N 3.4Å; D379-I849 HydrophobicContact CB-CD1 4.09Å; D379-R851 IonicContact OD1-CZ 3.39Å; D379-R851 IonicContact OD1-NH1 3.48Å; D379-R851 PolarHBondContact OD1-NH1 3.21Å; D379-R851 IonicContact OD1-NH2 2.73Å; D379-R851 PolarHBondContact OD1-NH2 2.8Å; D379-R851 IonicContact OD2-CZ 3.31Å; D379-R851 IonicContact OD2-NH1 3.87Å; D379-R851 IonicContact OD2-NH2 3.17Å; D379-R851 PolarHBondContact OD2-NH2 2.7Å; D379-D858 PolarHBondContact N-OD2 3.21Å; D379-D858 VanDerWaalsContact O-OD2 3.12Å
380	F	96.7	Very high	95.1	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.026	15%	0.154	C	C	.	.			trans	-93.6	35	-176.5	-68.5	-90.6	0	0	0	111.9	H199 F217 M220 W238 M255 R376	H199-F380 HydrophobicContact CB-CB 4.16Å; H199-F380 HydrophobicContact CB-CD2 3.88Å; H199-F380 HydrophobicContact CB-CG 4.4Å; H199-F380 PolarHBondContact O-N 2.88Å; F217-F380 HydrophobicContact CE1-CD2 4.36Å; F217-F380 AromaticContact CE1-CE2 3.9Å; F217-F380 HydrophobicContact CE1-CE2 3.9Å; F217-F380 HydrophobicContact CE1-CZ 4.35Å; F217-F380 HydrophobicContact CE2-CD1 4.4Å; F217-F380 HydrophobicContact CE2-CD2 4.44Å; F217-F380 HydrophobicContact CE2-CE1 4.27Å; F217-F380 HydrophobicContact CE2-CE2 4.28Å; F217-F380 HydrophobicContact CE2-CG 4.49Å; F217-F380 HydrophobicContact CE2-CZ 4.22Å; F217-F380 HydrophobicContact CZ-CD1 4.33Å; F217-F380 AromaticContact CZ-CD2 3.82Å; F217-F380 HydrophobicContact CZ-CD2 3.82Å; F217-F380 AromaticContact CZ-CE1 3.95Å; F217-F380 HydrophobicContact CZ-CE1 3.95Å; F217-F380 AromaticContact CZ-CE2 3.35Å; F217-F380 HydrophobicContact CZ-CE2 3.35Å; F217-F380 HydrophobicContact CZ-CG 4.27Å; F217-F380 AromaticContact CZ-CZ 3.45Å; F217-F380 HydrophobicContact CZ-CZ 3.45Å; F217-F380 VanDerWaalsContact CZ-CZ 3.45Å; M220-F380 HydrophobicContact CB-CD1 3.88Å; M220-F380 HydrophobicContact CB-CE1 4.33Å; M220-F380 HydrophobicContact CE-CE1 4.28Å; W238-F380 HydrophobicContact CD2-CE2 4.04Å; W238-F380 AromaticContact CE2-CE2 3.94Å; W238-F380 AromaticContact CE3-CE2 3.97Å; W238-F380 HydrophobicContact CE3-CE2 3.97Å; W238-F380 AromaticContact CH2-CD2 3.63Å; W238-F380 HydrophobicContact CH2-CD2 3.63Å; W238-F380 AromaticContact CH2-CE2 3.75Å; W238-F380 HydrophobicContact CH2-CE2 3.75Å; W238-F380 AromaticContact CZ2-CD2 3.8Å; W238-F380 HydrophobicContact CZ2-CD2 3.8Å; W238-F380 AromaticContact CZ2-CE2 3.82Å; W238-F380 HydrophobicContact CZ2-CE2 3.82Å; W238-F380 HydrophobicContact CZ3-CD2 4.07Å; W238-F380 AromaticContact CZ3-CE2 3.8Å; W238-F380 HydrophobicContact CZ3-CE2 3.8Å; M255-F380 HydrophobicContact SD-CE1 3.94Å; M255-F380 HydrophobicContact SD-CZ 4.08Å; R376-F380 HydrophobicContact CG-CZ 4.43Å; R376-F380 VanDerWaalsContact CZ-CD2 3.46Å; R376-F380 VanDerWaalsContact CZ-CE1 3.47Å; R376-F380 VanDerWaalsContact NH2-CD1 3.31Å
381	F	97.2	Very high	95.2	Very high	7 Å²	7	23.3 Å²	23.3	3%	0.031	14%	0.141	C	C	.	.			trans	-112.6	147.6	178.3	-64.8	-61	0	0	0	112.9	E159 A160 G198 D379 Y395 Y876 P877	E159-F381 HydrophobicContact CB-CZ 4.29Å; A160-F381 HydrophobicContact CB-CE1 3.74Å; A160-F381 HydrophobicContact CB-CE2 4.37Å; A160-F381 HydrophobicContact CB-CZ 3.58Å; G198-F381 VanDerWaalsContact C-CE1 3.46Å; G198-F381 VanDerWaalsContact C-CZ 3.41Å; G198-F381 VanDerWaalsContact CA-CE1 3.45Å; D379-F381 HydrophobicContact CB-CD2 4.29Å; D379-F381 PolarHBondContact O-N 2.87Å; D379-F381 PolarHBondContact OD1-N 3.4Å; F381-Y395 HydrophobicContact CD1-CE1 4.38Å; F381-Y395 WeakPolarHBondContact CD1-OH 3.44Å; F381-Y395 HydrophobicContact CE1-CE1 4.47Å; F381-Y876 HydrophobicContact CB-CD1 4.35Å; F381-Y876 WeakPolarHBondContact O-CE1 3.11Å; F381-P877 HydrophobicContact CB-CG 4.38Å; F381-P877 HydrophobicContact CD1-CG 4.04Å; F381-P877 HydrophobicContact CD2-CG 3.92Å; F381-P877 HydrophobicContact CE1-CG 4.3Å; F381-P877 HydrophobicContact CE2-CG 4.18Å; F381-P877 HydrophobicContact CG-CG 3.85Å; F381-P877 HydrophobicContact CZ-CG 4.38Å
382	P	97.4	Very high	95.4	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.019	12%	0.121	C	C	.	.	S	Bend	cis	-70.4	149.1	-12.8	32.3	-36.7	0	0	0	111.3	Y390 T392 R856	P382-Y390 HydrophobicContact CB-CD1 4.44Å; P382-Y390 HydrophobicContact CG-CD1 4.3Å; P382-Y390 HydrophobicContact CG-CE1 4.37Å; P382-T392 HydrophobicContact CB-CG2 3.38Å; P382-T392 HydrophobicContact CG-CG2 4.47Å; P382-R856 VanDerWaalsContact CG-NH2 3.35Å
383	Y	97.4	Very high	95.6	Very high	18 Å²	18	18.1 Å²	18.1	7%	0.071	10%	0.101	C	C	.	.			trans	-81.7	129.4	170.5	170.3	-131	0	0	0	110.2	F197 R219 M220 S385 W391	F197-Y383 HydrophobicContact CB-CD1 4.32Å; F197-Y383 VanDerWaalsContact O-CB 3.32Å; F197-Y383 WeakPolarHBondContact O-CB 3.47Å; R219-Y383 HydrophobicContact CB-CD1 4.25Å; R219-Y383 HydrophobicContact CB-CD2 4.36Å; R219-Y383 HydrophobicContact CB-CE1 3.87Å; R219-Y383 HydrophobicContact CB-CE2 4.01Å; R219-Y383 HydrophobicContact CB-CG 4.49Å; R219-Y383 HydrophobicContact CG-CE1 4.02Å; M220-Y383 VanDerWaalsContact O-CE2 3.23Å; M220-Y383 WeakPolarHBondContact O-CE2 3.47Å; Y383-S385 WeakPolarHBondContact OH-CB 3.38Å; Y383-W391 HydrophobicContact CD1-CB 3.77Å; Y383-W391 AromaticContact CD1-CD1 3.67Å; Y383-W391 AromaticContact CD1-CD2 3.73Å; Y383-W391 HydrophobicContact CD1-CD2 3.73Å; Y383-W391 HydrophobicContact CD1-CE3 4.32Å; Y383-W391 AromaticContact CD1-CG 3.44Å; Y383-W391 HydrophobicContact CD1-CG 3.44Å; Y383-W391 VanDerWaalsContact CD1-CG 3.44Å; Y383-W391 AromaticContact CE1-CD1 3.68Å; Y383-W391 AromaticContact CE1-CD2 3.59Å; Y383-W391 HydrophobicContact CE1-CD2 3.59Å; Y383-W391 AromaticContact CE1-CE2 3.59Å; Y383-W391 HydrophobicContact CE1-CE3 4.2Å; Y383-W391 AromaticContact CE1-CG 3.71Å; Y383-W391 HydrophobicContact CE1-CG 3.71Å; Y383-W391 HydrophobicContact CE1-CZ2 4.24Å; Y383-W391 AromaticContact CE1-NE1 3.63Å; Y383-W391 HydrophobicContact CG-CB 4.46Å; Y383-W391 HydrophobicContact CG-CG 4.39Å; Y383-W391 PolarHBondContact O-N 3.07Å
384	A	97.5	Very high	95.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.6	170.8	0	0	0	0	0	110.4	D221 F222 S389 Y390	D221-A384 WeakPolarHBondContact CA-O 3.08Å; F222-A384 HydrophobicContact CD1-CB 4.34Å; F222-A384 PolarHBondContact N-O 3.03Å; A384-S389 WeakPolarHBondContact CA-O 3.47Å; A384-Y390 HydrophobicContact CB-CD1 3.74Å; A384-Y390 HydrophobicContact CB-CE1 3.66Å; A384-Y390 HydrophobicContact CB-CG 4.23Å
385	S	96.5	Very high	96.1	Very high	40 Å²	40	15 Å²	15	28%	0.28	9%	0.085	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-14.6	176.4	58.8	0	0	0	0	113	Y383 S389 W391	Y383-S385 WeakPolarHBondContact OH-CB 3.38Å; S385-S389 PolarHBondContact N-O 2.87Å; S385-S389 VanDerWaalsContact N-O 3.07Å; S385-S389 VanDerWaalsContact OG-CB 3.28Å; S385-S389 WeakPolarHBondContact OG-CB 3.22Å; S385-W391 PolarHBondContact OG-NE1 3.24Å
386	G	95.9	Very high	96.5	Very high	17 Å²	17	12.9 Å²	12.9	18%	0.175	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	-174.8	179.6	0	0	0	0	0	111.5	F222 H388 S389	F222-G386 VanDerWaalsContact CE1-C 3.47Å; F222-G386 WeakPolarHBondContact CE1-O 3.48Å; G386-H388 VanDerWaalsContact C-N 3.32Å; G386-H388 PolarHBondContact O-N 2.71Å; G386-S389 PolarHBondContact O-N 2.68Å
387	L	95.2	Very high	96.8	Very high	84 Å²	84	12.9 Å²	12.9	44%	0.44	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-37.8	-172.4	-171.4	64.3	0	0	0	113.8	T868	L387-T868 HydrophobicContact CD1-CG2 4.03Å; L387-T868 WeakPolarHBondContact CD1-OG1 3.24Å
388	H	96.2	Very high	97.1	Very high	59 Å²	59	13.3 Å²	13.3	27%	0.273	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	10.9	-177	-54.9	-67.4	0	0	0	112.6	G386 P745 Q746 L754 E869	G386-H388 VanDerWaalsContact C-N 3.32Å; G386-H388 PolarHBondContact O-N 2.71Å; H388-P745 HydrophobicContact CB-CG 3.9Å; H388-P745 WeakPolarHBondContact CD2-CG 3.24Å; H388-Q746 HydrophobicContact CB-CB 4.17Å; H388-Q746 WeakPolarHBondContact O-CG 3.12Å; H388-L754 HydrophobicContact CB-CD2 4.12Å; H388-E869 IonicContact CE1-OE1 2.82Å; H388-E869 PolarHBondContact CE1-OE1 2.71Å; H388-E869 IonicContact CG-OE1 3.03Å; H388-E869 IonicContact ND1-OE1 2.83Å; H388-E869 PolarHBondContact ND1-OE1 3.49Å
389	S	97.1	Very high	97.4	Very high	15 Å²	15	12.6 Å²	12.6	11%	0.105	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	68.8	-170.5	-51	0	0	0	0	110.2	A384 S385 G386 W391 Q746	A384-S389 WeakPolarHBondContact CA-O 3.47Å; S385-S389 PolarHBondContact N-O 2.87Å; S385-S389 VanDerWaalsContact N-O 3.07Å; S385-S389 VanDerWaalsContact OG-CB 3.28Å; S385-S389 WeakPolarHBondContact OG-CB 3.22Å; G386-S389 PolarHBondContact O-N 2.68Å; S389-W391 VanDerWaalsContact O-CD1 3.31Å; S389-Q746 PolarHBondContact OG-OE1 3.08Å
390	Y	98.1	Very high	97.5	Very high	1 Å²	1	14 Å²	14	0%	0.004	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.8	174.1	-78.6	-86.9	0	0	0	110.5	R223 P382 A384 T392 I752 F753 E867 E869	R223-Y390 PolarHBondContact NH1-OH 3.32Å; R223-Y390 PolarHBondContact NH2-OH 3.33Å; P382-Y390 HydrophobicContact CB-CD1 4.44Å; P382-Y390 HydrophobicContact CG-CD1 4.3Å; P382-Y390 HydrophobicContact CG-CE1 4.37Å; A384-Y390 HydrophobicContact CB-CD1 3.74Å; A384-Y390 HydrophobicContact CB-CE1 3.66Å; A384-Y390 HydrophobicContact CB-CG 4.23Å; Y390-T392 PolarHBondContact O-N 3.34Å; Y390-I752 WeakPolarHBondContact O-CA 3.23Å; Y390-I752 WeakPolarHBondContact O-CD1 3.4Å; Y390-F753 PolarHBondContact O-N 2.85Å; Y390-E867 PolarHBondContact OH-OE1 3.46Å; Y390-E867 PolarHBondContact OH-OE2 3.36Å; Y390-E869 HydrophobicContact CD2-CB 3.79Å; Y390-E869 HydrophobicContact CD2-CG 3.92Å; Y390-E869 HydrophobicContact CE2-CB 3.47Å; Y390-E869 VanDerWaalsContact CE2-CB 3.47Å; Y390-E869 HydrophobicContact CE2-CG 3.64Å
391	W	98.4	Very high	97.5	Very high	3 Å²	3	14.5 Å²	14.5	1%	0.011	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	56.2	-179.7	-65.3	58	0	0	0	109.5	F197 R219 Y383 S385 S389 Y394 Y751 I752 F938	F197-W391 HydrophobicContact CB-CD2 4.45Å; F197-W391 HydrophobicContact CB-CE3 3.64Å; F197-W391 HydrophobicContact CB-CZ3 4.29Å; F197-W391 AromaticContact CD1-CE3 3.67Å; F197-W391 HydrophobicContact CD1-CE3 3.67Å; F197-W391 HydrophobicContact CD1-CH2 4.47Å; F197-W391 AromaticContact CD1-CZ3 3.39Å; F197-W391 HydrophobicContact CD1-CZ3 3.39Å; F197-W391 HydrophobicContact CD2-CE3 4.4Å; F197-W391 AromaticContact CE1-CZ3 3.88Å; F197-W391 HydrophobicContact CE1-CZ3 3.88Å; F197-W391 AromaticContact CG-CE3 3.61Å; F197-W391 HydrophobicContact CG-CE3 3.61Å; F197-W391 AromaticContact CG-CZ3 3.82Å; F197-W391 HydrophobicContact CG-CZ3 3.82Å; R219-W391 VanDerWaalsContact NH1-CZ2 3.33Å; Y383-W391 HydrophobicContact CD1-CB 3.77Å; Y383-W391 AromaticContact CD1-CD1 3.67Å; Y383-W391 AromaticContact CD1-CD2 3.73Å; Y383-W391 HydrophobicContact CD1-CD2 3.73Å; Y383-W391 HydrophobicContact CD1-CE3 4.32Å; Y383-W391 AromaticContact CD1-CG 3.44Å; Y383-W391 HydrophobicContact CD1-CG 3.44Å; Y383-W391 VanDerWaalsContact CD1-CG 3.44Å; Y383-W391 AromaticContact CE1-CD1 3.68Å; Y383-W391 AromaticContact CE1-CD2 3.59Å; Y383-W391 HydrophobicContact CE1-CD2 3.59Å; Y383-W391 AromaticContact CE1-CE2 3.59Å; Y383-W391 HydrophobicContact CE1-CE3 4.2Å; Y383-W391 AromaticContact CE1-CG 3.71Å; Y383-W391 HydrophobicContact CE1-CG 3.71Å; Y383-W391 HydrophobicContact CE1-CZ2 4.24Å; Y383-W391 AromaticContact CE1-NE1 3.63Å; Y383-W391 HydrophobicContact CG-CB 4.46Å; Y383-W391 HydrophobicContact CG-CG 4.39Å; Y383-W391 PolarHBondContact O-N 3.07Å; S385-W391 PolarHBondContact OG-NE1 3.24Å; S389-W391 VanDerWaalsContact O-CD1 3.31Å; W391-Y394 HydrophobicContact CB-CD1 4.35Å; W391-Y394 HydrophobicContact CB-CE1 4.14Å; W391-Y394 VanDerWaalsContact O-CD1 3.31Å; W391-Y394 WeakPolarHBondContact O-CD1 3.39Å; W391-Y394 WeakPolarHBondContact O-CE1 3.4Å; W391-Y751 AromaticContact CE3-CD1 3.52Å; W391-Y751 HydrophobicContact CE3-CD1 3.52Å; W391-Y751 HydrophobicContact CE3-CE1 4.38Å; W391-Y751 AromaticContact CE3-CG 3.79Å; W391-Y751 HydrophobicContact CE3-CG 3.79Å; W391-Y751 HydrophobicContact CH2-CD1 4.21Å; W391-Y751 HydrophobicContact CH2-CG 4.18Å; W391-Y751 AromaticContact CZ3-CD1 3.24Å; W391-Y751 HydrophobicContact CZ3-CD1 3.24Å; W391-Y751 HydrophobicContact CZ3-CD2 4.28Å; W391-Y751 AromaticContact CZ3-CE1 3.73Å; W391-Y751 HydrophobicContact CZ3-CE1 3.73Å; W391-Y751 AromaticContact CZ3-CG 3.56Å; W391-Y751 HydrophobicContact CZ3-CG 3.56Å; W391-I752 HydrophobicContact CD2-CD1 4.46Å; W391-I752 HydrophobicContact CG-CD1 4.07Å; W391-F938 HydrophobicContact CH2-CB 3.9Å; W391-F938 HydrophobicContact CH2-CD1 4.18Å; W391-F938 AromaticContact CH2-CG 3.98Å; W391-F938 HydrophobicContact CH2-CG 3.98Å; W391-F938 HydrophobicContact CZ2-CB 4.14Å; W391-F938 AromaticContact CZ2-CD1 3.65Å; W391-F938 HydrophobicContact CZ2-CD1 3.65Å; W391-F938 HydrophobicContact CZ2-CD2 4.11Å; W391-F938 HydrophobicContact CZ2-CE1 4.06Å; W391-F938 HydrophobicContact CZ2-CE2 4.47Å; W391-F938 AromaticContact CZ2-CG 3.69Å; W391-F938 HydrophobicContact CZ2-CG 3.69Å; W391-F938 HydrophobicContact CZ2-CZ 4.45Å
392	T	98.5	Very high	97.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-3.8	-176.7	55.5	0	0	0	0	112.9	P382 Y390 Y395 S872 Y875	P382-T392 HydrophobicContact CB-CG2 3.38Å; P382-T392 HydrophobicContact CG-CG2 4.47Å; Y390-T392 PolarHBondContact O-N 3.34Å; T392-Y395 HydrophobicContact CG2-CE2 3.62Å; T392-Y395 VanDerWaalsContact O-CD2 3.24Å; T392-Y395 WeakPolarHBondContact O-CD2 3.5Å; T392-S872 WeakPolarHBondContact CG2-O 3.42Å; T392-S872 PolarHBondContact OG1-O 2.82Å; T392-Y875 WeakPolarHBondContact CG2-O 3.5Å
393	G	98.4	Very high	97.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-74.3	-42.2	177.3	0	0	0	0	0	113.3	Y395 T396 S397 Y751 R930	G393-Y395 PolarHBondContact O-N 2.96Å; G393-Y395 VanDerWaalsContact O-N 3.08Å; G393-T396 PolarHBondContact O-N 2.85Å; G393-S397 PolarHBondContact O-N 3.24Å; G393-Y751 WeakPolarHBondContact CA-O 3.49Å; G393-Y751 PolarHBondContact N-O 3.11Å; G393-R930 VanDerWaalsContact O-CZ 3.24Å; G393-R930 PolarHBondContact O-NE 2.77Å; G393-R930 PolarHBondContact O-NH2 2.65Å
394	Y	98.4	Very high	97.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.4	-178.5	82	-92.5	0	0	0	113.6	A160 T161 F197 W391 T396 S397 K402 T460 Y751	A160-Y394 HydrophobicContact CB-CE2 3.6Å; A160-Y394 WeakPolarHBondContact CB-OH 3.43Å; T161-Y394 HydrophobicContact CG2-CD2 4.18Å; T161-Y394 HydrophobicContact CG2-CE2 4.2Å; F197-Y394 HydrophobicContact CB-CD1 4.28Å; F197-Y394 HydrophobicContact CB-CE1 3.49Å; F197-Y394 VanDerWaalsContact CB-CE1 3.49Å; F197-Y394 HydrophobicContact CD2-CD1 4.06Å; F197-Y394 HydrophobicContact CD2-CD2 4.17Å; F197-Y394 AromaticContact CD2-CE1 3.93Å; F197-Y394 HydrophobicContact CD2-CE1 3.93Å; F197-Y394 HydrophobicContact CD2-CE2 4.02Å; F197-Y394 HydrophobicContact CD2-CG 4.17Å; F197-Y394 AromaticContact CD2-CZ 3.91Å; F197-Y394 HydrophobicContact CG-CE1 4.18Å; F197-Y394 PolarHBondContact O-OH 3.37Å; W391-Y394 HydrophobicContact CB-CD1 4.35Å; W391-Y394 HydrophobicContact CB-CE1 4.14Å; W391-Y394 VanDerWaalsContact O-CD1 3.31Å; W391-Y394 WeakPolarHBondContact O-CD1 3.39Å; W391-Y394 WeakPolarHBondContact O-CE1 3.4Å; Y394-T396 PolarHBondContact O-N 2.84Å; Y394-T396 VanDerWaalsContact O-N 3.08Å; Y394-S397 WeakPolarHBondContact CA-OG 3.39Å; Y394-K402 PolarHBondContact O-NZ 3.36Å; Y394-T460 HydrophobicContact CG-CG2 4.37Å; Y394-Y751 PolarHBondContact N-O 3.28Å
395	Y	98.8	Very high	97.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.3	171.3	-55.7	-21.3	0	0	0	111.4	A160 F381 T392 G393 K402 P877 A913 Q914	A160-Y395 HydrophobicContact CB-CD1 3.94Å; A160-Y395 HydrophobicContact CB-CE1 3.85Å; F381-Y395 HydrophobicContact CD1-CE1 4.38Å; F381-Y395 WeakPolarHBondContact CD1-OH 3.44Å; F381-Y395 HydrophobicContact CE1-CE1 4.47Å; T392-Y395 HydrophobicContact CG2-CE2 3.62Å; T392-Y395 VanDerWaalsContact O-CD2 3.24Å; T392-Y395 WeakPolarHBondContact O-CD2 3.5Å; G393-Y395 PolarHBondContact O-N 2.96Å; G393-Y395 VanDerWaalsContact O-N 3.08Å; Y395-K402 PolarHBondContact O-NZ 2.73Å; Y395-P877 HydrophobicContact CD1-CG 4.02Å; Y395-P877 HydrophobicContact CD2-CG 4.42Å; Y395-P877 HydrophobicContact CE1-CG 3.63Å; Y395-P877 HydrophobicContact CE2-CG 4.06Å; Y395-P877 HydrophobicContact CG-CG 4.41Å; Y395-A913 CarbonylContact O-C 3.49Å; Y395-Q914 CarbonylContact O-C 3.43Å; Y395-Q914 WeakPolarHBondContact O-CA 3.33Å; Y395-Q914 PolarHBondContact O-N 3.21Å
396	T	98.6	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-23.3	-179.4	-49.5	0	0	0	0	114.7	G393 Y394 R398 P399 G915 M927 L928 R930	G393-T396 PolarHBondContact O-N 2.85Å; Y394-T396 PolarHBondContact O-N 2.84Å; Y394-T396 VanDerWaalsContact O-N 3.08Å; T396-R398 PolarHBondContact O-N 3.42Å; T396-P399 VanDerWaalsContact O-CD 3.25Å; T396-P399 WeakPolarHBondContact O-CD 3.46Å; T396-G915 PolarHBondContact OG1-N 2.84Å; T396-M927 HydrophobicContact CG2-CB 4.34Å; T396-M927 HydrophobicContact CG2-CG 3.93Å; T396-M927 VanDerWaalsContact CG2-O 3.29Å; T396-M927 WeakPolarHBondContact CG2-O 3.16Å; T396-M927 HydrophobicContact CG2-SD 4.48Å; T396-M927 WeakPolarHBondContact OG1-CB 3.38Å; T396-M927 PolarHBondContact OG1-O 2.94Å; T396-L928 VanDerWaalsContact CG2-C 3.46Å; T396-L928 WeakPolarHBondContact CG2-O 3.43Å; T396-R930 HydrophobicContact CG2-CG 4.43Å
397	S	97.8	Very high	97.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-43.1	138.8	-179.7	-64.9	0	0	0	0	113.4	G393 Y394 K402 S458 A750 R930 L944	G393-S397 PolarHBondContact O-N 3.24Å; Y394-S397 WeakPolarHBondContact CA-OG 3.39Å; S397-K402 WeakPolarHBondContact O-CE 3.01Å; S397-K402 PolarHBondContact O-NZ 3.31Å; S397-S458 WeakPolarHBondContact CB-O 3.49Å; S397-A750 PolarHBondContact OG-O 3.19Å; S397-R930 PolarHBondContact OG-NH2 2.88Å; S397-L944 WeakPolarHBondContact OG-CD2 3.21Å
398	R	97.8	Very high	98	Very high	9 Å²	9	15.2 Å²	15.2	3%	0.034	7%	0.074	C	C	.	.	S	Bend	trans	51.7	54.5	-178.7	-51.3	-167.5	-176.6	-80.1	1.7	114.5	T396 A400 L401 K402 E461 L944 E946	T396-R398 PolarHBondContact O-N 3.42Å; R398-A400 PolarHBondContact O-N 3.32Å; R398-A400 VanDerWaalsContact O-N 3.16Å; R398-L401 HydrophobicContact CB-CB 4.14Å; R398-L401 PolarHBondContact O-N 2.88Å; R398-L401 VanDerWaalsContact O-N 3.1Å; R398-K402 PolarHBondContact O-N 3.19Å; R398-K402 VanDerWaalsContact O-N 3.12Å; R398-E461 WeakPolarHBondContact CD-OE1 3.27Å; R398-E461 VanDerWaalsContact CD-OE2 3.26Å; R398-E461 WeakPolarHBondContact CD-OE2 3.39Å; R398-E461 IonicContact CZ-OE2 3.47Å; R398-E461 IonicContact NE-OE1 3.62Å; R398-E461 IonicContact NE-OE2 3.99Å; R398-E461 PolarHBondContact NE-OE2 3.37Å; R398-E461 PolarHBondContact NH2-O 2.89Å; R398-L944 HydrophobicContact CG-CD1 4.05Å; R398-E946 WeakPolarHBondContact CA-OE1 3.44Å; R398-E946 VanDerWaalsContact CA-OE2 3.31Å; R398-E946 WeakPolarHBondContact CA-OE2 3.48Å; R398-E946 PolarHBondContact N-OE2 3.1Å
399	P	97.9	Very high	98.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.7	-21.2	-175.9	26.8	-31.7	0	0	0	113.2	T396 Y403 R912 L928 H929 V956	T396-P399 VanDerWaalsContact O-CD 3.25Å; T396-P399 WeakPolarHBondContact O-CD 3.46Å; P399-Y403 PolarHBondContact O-N 3.39Å; P399-R912 WeakPolarHBondContact O-CD 3.47Å; P399-R912 PolarHBondContact O-NH1 2.86Å; P399-R912 VanDerWaalsContact O-NH1 3.14Å; P399-L928 WeakPolarHBondContact CG-O 3.3Å; P399-H929 HydrophobicContact CG-CB 4.25Å; P399-V956 HydrophobicContact CB-CG1 4.24Å; P399-V956 HydrophobicContact CG-CB 4.44Å; P399-V956 HydrophobicContact CG-CG1 4.07Å; P399-V956 HydrophobicContact CG-CG2 4.2Å
400	A	96.9	Very high	98.1	Very high	31 Å²	31	12.1 Å²	12.1	26%	0.256	6%	0.059	S	C	.	.	H	α-helix	trans	-69.2	-45.5	172	0	0	0	0	0	112.1	R398 Y403 Y404 L954 V956	R398-A400 PolarHBondContact O-N 3.32Å; R398-A400 VanDerWaalsContact O-N 3.16Å; A400-Y403 PolarHBondContact O-N 3Å; A400-Y404 PolarHBondContact O-N 3.09Å; A400-L954 HydrophobicContact CB-CD2 3.66Å; A400-V956 HydrophobicContact CB-CG1 4.29Å; A400-V956 HydrophobicContact CB-CG2 4.05Å
401	L	97.9	Very high	98.1	Very high	17 Å²	17	12.7 Å²	12.7	9%	0.089	6%	0.062	C	C	.	.	H	α-helix	trans	-64.6	-43.5	178.2	-178.1	60.4	0	0	0	111	R398 Y403 Y404 V405 L451 E461 Y469	R398-L401 HydrophobicContact CB-CB 4.14Å; R398-L401 PolarHBondContact O-N 2.88Å; R398-L401 VanDerWaalsContact O-N 3.1Å; L401-Y403 VanDerWaalsContact C-N 3.31Å; L401-Y403 PolarHBondContact O-N 3.47Å; L401-Y404 WeakPolarHBondContact O-CB 3.35Å; L401-Y404 PolarHBondContact O-N 3.13Å; L401-V405 WeakPolarHBondContact O-CG2 3.35Å; L401-V405 PolarHBondContact O-N 3.03Å; L401-L451 HydrophobicContact CD1-CD2 4.24Å; L401-E461 WeakPolarHBondContact CD2-OE1 3.03Å; L401-Y469 HydrophobicContact CD2-CD2 4.46Å
402	K	98.5	Very high	98.1	Very high	5 Å²	5	12.8 Å²	12.8	2%	0.022	6%	0.062	C	C	.	.	H	α-helix	trans	-55	-45.5	174.8	-75.4	170.8	174.1	163.2	0	112.4	Y394 Y395 S397 R398 Y404 V405 R406 V457 S458 R912 A913	Y394-K402 PolarHBondContact O-NZ 3.36Å; Y395-K402 PolarHBondContact O-NZ 2.73Å; S397-K402 WeakPolarHBondContact O-CE 3.01Å; S397-K402 PolarHBondContact O-NZ 3.31Å; R398-K402 PolarHBondContact O-N 3.19Å; R398-K402 VanDerWaalsContact O-N 3.12Å; K402-Y404 VanDerWaalsContact C-N 3.33Å; K402-Y404 PolarHBondContact O-N 3.37Å; K402-V405 WeakPolarHBondContact O-CB 3.44Å; K402-V405 PolarHBondContact O-N 3.15Å; K402-R406 WeakPolarHBondContact O-CG 3.46Å; K402-R406 PolarHBondContact O-N 3.21Å; K402-R406 VanDerWaalsContact O-N 3.16Å; K402-V457 WeakPolarHBondContact CE-O 3.15Å; K402-V457 VanDerWaalsContact CG-O 3.25Å; K402-V457 WeakPolarHBondContact CG-O 3.3Å; K402-S458 PolarHBondContact NZ-O 3.47Å; K402-R912 HydrophobicContact CB-CB 4.4Å; K402-A913 HydrophobicContact CD-CB 4.34Å
403	Y	98.2	Very high	98.1	Very high	46 Å²	46	13.5 Å²	13.5	18%	0.18	7%	0.067	C	C	.	.	H	α-helix	trans	-64.2	-39.8	175.9	-175.5	-114.3	0	0	0	112.6	P399 A400 L401 V405 R406 Q407 N511 D911 R912	P399-Y403 PolarHBondContact O-N 3.39Å; A400-Y403 PolarHBondContact O-N 3Å; L401-Y403 VanDerWaalsContact C-N 3.31Å; L401-Y403 PolarHBondContact O-N 3.47Å; Y403-V405 VanDerWaalsContact C-N 3.29Å; Y403-V405 PolarHBondContact O-N 3.47Å; Y403-R406 WeakPolarHBondContact O-CB 3.21Å; Y403-R406 PolarHBondContact O-N 2.89Å; Y403-R406 VanDerWaalsContact O-N 3.08Å; Y403-Q407 HydrophobicContact CD1-CG 4.1Å; Y403-Q407 HydrophobicContact CE1-CG 3.73Å; Y403-Q407 HydrophobicContact CE2-CG 4.3Å; Y403-Q407 WeakPolarHBondContact O-CG 3.39Å; Y403-Q407 PolarHBondContact O-N 2Å; Y403-Q407 PolarHBondContact OH-NE2 3.4Å; Y403-N511 HydrophobicContact CE1-CB 3.96Å; Y403-D911 HydrophobicContact CD2-CB 4.42Å; Y403-D911 HydrophobicContact CE2-CB 4.17Å; Y403-R912 VanDerWaalsContact CB-NH1 3.26Å; Y403-R912 VanDerWaalsContact CD2-CZ 3.44Å
404	Y	97.9	Very high	98.1	Very high	45 Å²	45	13.5 Å²	13.5	18%	0.176	7%	0.067	C	C	.	.	H	α-helix	trans	-63	-38.4	178.1	-169	-161	0	0	0	111.7	A400 L401 K402 R406 Q407 A408 L473 T474	A400-Y404 PolarHBondContact O-N 3.09Å; L401-Y404 WeakPolarHBondContact O-CB 3.35Å; L401-Y404 PolarHBondContact O-N 3.13Å; K402-Y404 VanDerWaalsContact C-N 3.33Å; K402-Y404 PolarHBondContact O-N 3.37Å; Y404-R406 PolarHBondContact O-N 3.26Å; Y404-Q407 PolarHBondContact O-N 3.06Å; Y404-A408 WeakPolarHBondContact O-CB 3.33Å; Y404-A408 PolarHBondContact O-N 3.42Å; Y404-L473 HydrophobicContact CD1-CB 4.37Å; Y404-L473 HydrophobicContact CD1-CD2 3.54Å; Y404-L473 HydrophobicContact CD1-CG 4.3Å; Y404-L473 HydrophobicContact CD2-CD2 3.82Å; Y404-L473 HydrophobicContact CE1-CB 3.85Å; Y404-L473 HydrophobicContact CE1-CD2 3.74Å; Y404-L473 HydrophobicContact CE1-CG 3.97Å; Y404-L473 HydrophobicContact CE2-CD2 4Å; Y404-L473 HydrophobicContact CE2-CG 4.25Å; Y404-L473 HydrophobicContact CG-CD2 3.57Å; Y404-T474 WeakPolarHBondContact OH-CA 3.31Å; Y404-T474 WeakPolarHBondContact OH-CB 3.35Å; Y404-T474 PolarHBondContact OH-N 3.15Å; Y404-T474 VanDerWaalsContact OH-N 3.16Å; Y404-T474 PolarHBondContact OH-OG1 3.32Å
405	V	98.6	Very high	98	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.018	7%	0.067	C	C	.	.	H	α-helix	trans	-57.5	-46.3	170.7	173.6	0	0	0	0	111.3	L401 K402 Y403 Q407 A408 S409 L448 L451	L401-V405 WeakPolarHBondContact O-CG2 3.35Å; L401-V405 PolarHBondContact O-N 3.03Å; K402-V405 WeakPolarHBondContact O-CB 3.44Å; K402-V405 PolarHBondContact O-N 3.15Å; Y403-V405 VanDerWaalsContact C-N 3.29Å; Y403-V405 PolarHBondContact O-N 3.47Å; V405-Q407 PolarHBondContact O-N 3.35Å; V405-A408 PolarHBondContact O-N 2.81Å; V405-S409 WeakPolarHBondContact O-CB 3.36Å; V405-S409 PolarHBondContact O-N 3.24Å; V405-L448 HydrophobicContact CG1-CD2 4.17Å; V405-L451 HydrophobicContact CG2-CB 4.06Å; V405-L451 HydrophobicContact CG2-CD2 3.59Å; V405-L451 HydrophobicContact CG2-CG 4.46Å
406	R	97.8	Very high	97.9	Very high	22 Å²	22	13.9 Å²	13.9	8%	0.083	7%	0.069	C	C	.	.	H	α-helix	trans	-61.9	-43.8	177.1	-60.4	-62.4	-69.2	150.9	-11.2	112.4	Y163 D166 K402 Y403 Y404 S409 N410 S982	Y163-R406 VanDerWaalsContact CG-CZ 3.48Å; D166-R406 IonicContact OD2-NH1 3.77Å; D166-R406 PolarHBondContact OD2-NH1 2.83Å; D166-R406 VanDerWaalsContact OD2-NH1 3.12Å; K402-R406 WeakPolarHBondContact O-CG 3.46Å; K402-R406 PolarHBondContact O-N 3.21Å; K402-R406 VanDerWaalsContact O-N 3.16Å; Y403-R406 WeakPolarHBondContact O-CB 3.21Å; Y403-R406 PolarHBondContact O-N 2.89Å; Y403-R406 VanDerWaalsContact O-N 3.08Å; Y404-R406 PolarHBondContact O-N 3.26Å; R406-S409 WeakPolarHBondContact O-CB 3.42Å; R406-S409 PolarHBondContact O-N 3Å; R406-N410 PolarHBondContact O-N 2.87Å; R406-S982 PolarHBondContact NH2-OG 2.57Å
407	Q	97.6	Very high	97.9	Very high	61 Å²	61	14.3 Å²	14.3	29%	0.285	7%	0.071	S	C	.	.	H	α-helix	trans	-62.7	-45.2	177	-70.6	-174.8	-51.3	0	0	111.7	Y403 Y404 V405 N410 L411	Y403-Q407 HydrophobicContact CD1-CG 4.1Å; Y403-Q407 HydrophobicContact CE1-CG 3.73Å; Y403-Q407 HydrophobicContact CE2-CG 4.3Å; Y403-Q407 WeakPolarHBondContact O-CG 3.39Å; Y403-Q407 PolarHBondContact O-N 2Å; Y403-Q407 PolarHBondContact OH-NE2 3.4Å; Y404-Q407 PolarHBondContact O-N 3.06Å; V405-Q407 PolarHBondContact O-N 3.35Å; Q407-N410 PolarHBondContact O-N 2.79Å; Q407-L411 PolarHBondContact O-N 3.26Å
408	A	98.4	Very high	97.7	Very high	2 Å²	2	14.4 Å²	14.4	2%	0.017	7%	0.071	C	C	.	.	H	α-helix	trans	-67.6	-35.7	178.7	0	0	0	0	0	112.6	Y404 V405 N410 L411 L412 L444 L448 L473	Y404-A408 WeakPolarHBondContact O-CB 3.33Å; Y404-A408 PolarHBondContact O-N 3.42Å; V405-A408 PolarHBondContact O-N 2.81Å; A408-N410 VanDerWaalsContact C-N 3.35Å; A408-L411 PolarHBondContact O-N 3.26Å; A408-L412 PolarHBondContact O-N 3.46Å; A408-L444 HydrophobicContact CB-CD1 4.47Å; A408-L448 HydrophobicContact CB-CD2 3.96Å; A408-L473 HydrophobicContact CB-CD1 3.53Å; A408-L473 HydrophobicContact CB-CD2 3.77Å; A408-L473 HydrophobicContact CB-CG 3.8Å
409	S	98.3	Very high	97.5	Very high	1 Å²	1	14 Å²	14	1%	0.007	7%	0.07	C	C	.	.	H	α-helix	trans	-59.5	-43.9	170.2	169.4	0	0	0	0	111.9	D166 V405 R406 L412 S413 K983	D166-S409 WeakPolarHBondContact OD1-CB 3.36Å; D166-S409 PolarHBondContact OD1-OG 3.17Å; V405-S409 WeakPolarHBondContact O-CB 3.36Å; V405-S409 PolarHBondContact O-N 3.24Å; R406-S409 WeakPolarHBondContact O-CB 3.42Å; R406-S409 PolarHBondContact O-N 3Å; S409-L412 WeakPolarHBondContact O-CB 3.49Å; S409-L412 PolarHBondContact O-N 3.03Å; S409-S413 PolarHBondContact O-N 2.94Å; S409-S413 VanDerWaalsContact O-N 3.13Å; S409-S413 PolarHBondContact O-OG 3.32Å; S409-K983 PolarHBondContact O-NZ 2.91Å; S409-K983 PolarHBondContact OG-NZ 2.73Å; S409-K983 VanDerWaalsContact OG-NZ 3.16Å
410	N	97.9	Very high	97.3	Very high	9 Å²	9	14 Å²	14	5%	0.048	7%	0.07	C	C	.	.	H	α-helix	trans	-65.5	-41.6	176.8	-162.1	31.8	0	0	0	111.8	R406 Q407 A408 L412 S413 M414 P540 K983 P984 I986	R406-N410 PolarHBondContact O-N 2.87Å; Q407-N410 PolarHBondContact O-N 2.79Å; A408-N410 VanDerWaalsContact C-N 3.35Å; N410-L412 VanDerWaalsContact C-N 3.32Å; N410-L412 PolarHBondContact O-N 3.48Å; N410-S413 PolarHBondContact O-N 2.87Å; N410-M414 PolarHBondContact O-N 3.15Å; N410-P540 WeakPolarHBondContact OD1-CG 3.28Å; N410-K983 HydrophobicContact CB-CD 4.42Å; N410-K983 VanDerWaalsContact OD1-CD 3.26Å; N410-K983 WeakPolarHBondContact OD1-CD 3.35Å; N410-P984 PolarHBondContact ND2-O 3.1Å; N410-I986 WeakPolarHBondContact ND2-CG1 3.47Å
411	L	98.3	Very high	97.1	Very high	13 Å²	13	13 Å²	13	7%	0.068	6%	0.06	C	C	.	.	H	α-helix	trans	-60.8	-39.3	172.7	177.3	65.6	0	0	0	112	Q407 A408 M414 C415 L444 Q481 I484 F506	Q407-L411 PolarHBondContact O-N 3.26Å; A408-L411 PolarHBondContact O-N 3.26Å; L411-M414 PolarHBondContact O-N 2.91Å; L411-C415 VanDerWaalsContact O-CB 3.28Å; L411-C415 WeakPolarHBondContact O-CB 3.31Å; L411-C415 PolarHBondContact O-N 3.17Å; L411-L444 HydrophobicContact CD2-CD2 4.41Å; L411-L444 HydrophobicContact CG-CD2 4.43Å; L411-Q481 HydrophobicContact CD1-CG 4.32Å; L411-Q481 HydrophobicContact CD2-CG 4.07Å; L411-I484 HydrophobicContact CD1-CD1 3.75Å; L411-F506 HydrophobicContact CD1-CE1 4.04Å
412	L	98.5	Very high	96.7	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.021	6%	0.057	C	C	.	.	H	α-helix	trans	-60.3	-47.2	176	177	62.7	0	0	0	110.5	A408 S409 N410 M414 C415 E416 I441 L444 R445 L448	A408-L412 PolarHBondContact O-N 3.46Å; S409-L412 WeakPolarHBondContact O-CB 3.49Å; S409-L412 PolarHBondContact O-N 3.03Å; N410-L412 VanDerWaalsContact C-N 3.32Å; N410-L412 PolarHBondContact O-N 3.48Å; L412-M414 VanDerWaalsContact C-N 3.29Å; L412-M414 PolarHBondContact O-N 3.31Å; L412-C415 WeakPolarHBondContact O-CB 3.5Å; L412-C415 PolarHBondContact O-N 2.93Å; L412-E416 HydrophobicContact CD1-CG 3.86Å; L412-E416 HydrophobicContact CG-CG 4.2Å; L412-E416 WeakPolarHBondContact O-CG 3.44Å; L412-E416 PolarHBondContact O-N 3.23Å; L412-I441 HydrophobicContact CD1-CG2 3.9Å; L412-L444 HydrophobicContact CB-CD2 3.89Å; L412-L444 HydrophobicContact CB-CG 4.32Å; L412-L444 HydrophobicContact CD1-CB 4.41Å; L412-L444 HydrophobicContact CD1-CD2 4.21Å; L412-L444 HydrophobicContact CD1-CG 4.28Å; L412-R445 HydrophobicContact CD1-CG 3.78Å; L412-R445 HydrophobicContact CD2-CG 4.02Å; L412-L448 HydrophobicContact CB-CD1 3.89Å; L412-L448 HydrophobicContact CD2-CD1 3.71Å; L412-L448 HydrophobicContact CG-CD1 4.4Å
413	S	97.7	Very high	96	Very high	15 Å²	15	12.3 Å²	12.3	11%	0.105	6%	0.057	C	C	.	.	H	α-helix	trans	-55.1	-45.3	177.3	-57.3	0	0	0	0	112.1	S409 N410 Q417 K983	S409-S413 PolarHBondContact O-N 2.94Å; S409-S413 VanDerWaalsContact O-N 3.13Å; S409-S413 PolarHBondContact O-OG 3.32Å; N410-S413 PolarHBondContact O-N 2.87Å; S413-Q417 WeakPolarHBondContact O-CB 3.32Å; S413-Q417 VanDerWaalsContact O-CD 3.25Å; S413-Q417 WeakPolarHBondContact O-CG 3.38Å; S413-Q417 PolarHBondContact O-N 3.29Å; S413-Q417 VanDerWaalsContact O-N 3.14Å; S413-Q417 PolarHBondContact O-OE1 3.25Å; S413-K983 PolarHBondContact OG-NZ 2.93Å
414	M	97.8	Very high	95.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61.2	-47.3	173.6	175.8	-178.2	-173.9	0	0	112.5	N410 L411 L412 E416 Q417 V418 I484 Y538 F642 I986 L988	N410-M414 PolarHBondContact O-N 3.15Å; L411-M414 PolarHBondContact O-N 2.91Å; L412-M414 VanDerWaalsContact C-N 3.29Å; L412-M414 PolarHBondContact O-N 3.31Å; M414-E416 VanDerWaalsContact C-N 3.35Å; M414-E416 PolarHBondContact O-N 3.29Å; M414-Q417 PolarHBondContact O-N 2.93Å; M414-V418 HydrophobicContact CE-CG2 4.32Å; M414-V418 HydrophobicContact CG-CG2 4.24Å; M414-V418 WeakPolarHBondContact O-CB 3.4Å; M414-V418 VanDerWaalsContact O-CG2 3.29Å; M414-V418 WeakPolarHBondContact O-CG2 3.42Å; M414-V418 PolarHBondContact O-N 3.48Å; M414-I484 HydrophobicContact CE-CD1 4.14Å; M414-I484 HydrophobicContact CE-CG1 4.38Å; M414-I484 HydrophobicContact CE-CG2 3.48Å; M414-I484 VanDerWaalsContact CE-CG2 3.48Å; M414-I484 HydrophobicContact CG-CD1 3.9Å; M414-I484 HydrophobicContact SD-CD1 3.86Å; M414-Y538 HydrophobicContact CB-CD1 3.69Å; M414-Y538 HydrophobicContact CB-CE1 3.46Å; M414-Y538 VanDerWaalsContact CB-CE1 3.46Å; M414-Y538 HydrophobicContact CE-CD1 4.3Å; M414-Y538 HydrophobicContact CE-CD2 4.1Å; M414-Y538 HydrophobicContact CE-CG 3.87Å; M414-Y538 HydrophobicContact CG-CD1 3.5Å; M414-Y538 VanDerWaalsContact CG-CD1 3.5Å; M414-Y538 HydrophobicContact CG-CD2 4.42Å; M414-Y538 HydrophobicContact CG-CE1 3.49Å; M414-Y538 VanDerWaalsContact CG-CE1 3.49Å; M414-Y538 HydrophobicContact CG-CE2 4.39Å; M414-Y538 HydrophobicContact CG-CG 3.97Å; M414-Y538 HydrophobicContact SD-CD1 3.84Å; M414-Y538 HydrophobicContact SD-CE1 4.44Å; M414-Y538 HydrophobicContact SD-CG 3.96Å; M414-F642 HydrophobicContact CE-CE1 3.31Å; M414-F642 HydrophobicContact CE-CZ 3.5Å; M414-F642 VanDerWaalsContact CE-CZ 3.5Å; M414-I986 HydrophobicContact CB-CD1 3.81Å; M414-I986 HydrophobicContact CG-CD1 4.47Å; M414-I986 HydrophobicContact SD-CB 4.4Å; M414-I986 HydrophobicContact SD-CD1 3.99Å; M414-I986 HydrophobicContact SD-CG2 4.14Å; M414-L988 HydrophobicContact CE-CD1 3.79Å; M414-L988 HydrophobicContact CE-CD2 3.75Å; M414-L988 HydrophobicContact CE-CG 4.39Å; M414-L988 HydrophobicContact SD-CD1 4.35Å; M414-L988 HydrophobicContact SD-CD2 4.44Å
415	C	97.3	Very high	94.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-60.5	-44	-177.7	-170.3	0	0	0	0	111.4	L411 L412 H419 C480 I484	L411-C415 VanDerWaalsContact O-CB 3.28Å; L411-C415 WeakPolarHBondContact O-CB 3.31Å; L411-C415 PolarHBondContact O-N 3.17Å; L412-C415 WeakPolarHBondContact O-CB 3.5Å; L412-C415 PolarHBondContact O-N 2.93Å; C415-H419 WeakPolarHBondContact O-CB 3.23Å; C415-H419 PolarHBondContact O-N 3.35Å; C415-C480 HydrophobicContact CB-CB 3.77Å; C415-C480 WeakPolarHBondContact CB-SG 2.98Å; C415-C480 WeakPolarHBondContact SG-CA 3.41Å; C415-C480 WeakPolarHBondContact SG-CB 3.24Å; C415-C480 CovalentContact SG-SG 2.05Å; C415-C480 PolarHBondContact SG-SG 3.47Å; C415-I484 HydrophobicContact CB-CD1 4.08Å; C415-I484 HydrophobicContact CB-CG1 4.49Å
416	E	97.1	Very high	93.3	Very high	9 Å²	9	12.1 Å²	12.1	4%	0.042	7%	0.068	C	C	.	.	H	α-helix	trans	-64.2	-45.9	177.1	-68.1	-165.7	123.7	0	0	112.8	L412 M414 L420 I441 R445 T1021	L412-E416 HydrophobicContact CD1-CG 3.86Å; L412-E416 HydrophobicContact CG-CG 4.2Å; L412-E416 WeakPolarHBondContact O-CG 3.44Å; L412-E416 PolarHBondContact O-N 3.23Å; M414-E416 VanDerWaalsContact C-N 3.35Å; M414-E416 PolarHBondContact O-N 3.29Å; E416-L420 VanDerWaalsContact O-CB 3.32Å; E416-L420 WeakPolarHBondContact O-CB 3.3Å; E416-L420 PolarHBondContact O-N 3.3Å; E416-I441 HydrophobicContact CG-CG2 4.13Å; E416-R445 IonicContact OE1-CZ 3.92Å; E416-R445 VanDerWaalsContact OE1-CZ 3.23Å; E416-R445 IonicContact OE1-NE 3.06Å; E416-R445 PolarHBondContact OE1-NE 2.87Å; E416-R445 IonicContact OE1-NH2 3.92Å; E416-R445 PolarHBondContact OE1-NH2 3.45Å; E416-T1021 PolarHBondContact OE1-OG1 3.38Å
417	Q	97.1	Very high	91.6	Very high	9 Å²	9	13.8 Å²	13.8	4%	0.042	8%	0.077	C	C	.	.	H	α-helix	trans	-64.5	-48.6	179.8	-71.3	163.9	-15	0	0	110.7	S413 M414 H419 L420 H421 Y538 P540 I640 L1020	S413-Q417 WeakPolarHBondContact O-CB 3.32Å; S413-Q417 VanDerWaalsContact O-CD 3.25Å; S413-Q417 WeakPolarHBondContact O-CG 3.38Å; S413-Q417 PolarHBondContact O-N 3.29Å; S413-Q417 VanDerWaalsContact O-N 3.14Å; S413-Q417 PolarHBondContact O-OE1 3.25Å; M414-Q417 PolarHBondContact O-N 2.93Å; Q417-H419 PolarHBondContact O-N 2.71Å; Q417-L420 PolarHBondContact O-N 3.43Å; Q417-H421 PolarHBondContact O-CD2 2.71Å; Q417-H421 PolarHBondContact O-N 3.07Å; Q417-Y538 VanDerWaalsContact CB-OH 3.23Å; Q417-Y538 WeakPolarHBondContact CB-OH 3.29Å; Q417-Y538 PolarHBondContact OE1-OH 2.66Å; Q417-P540 PolarHBondContact NE2-O 3.02Å; Q417-I640 HydrophobicContact CB-CG2 3.82Å; Q417-I640 HydrophobicContact CG-CG2 3.92Å; Q417-L1020 HydrophobicContact CG-CB 4.44Å
418	V	95.3	Very high	89.6	Confident	1 Å²	1	15.1 Å²	15.1	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-61.9	-46	177.8	170.5	0	0	0	0	111.4	M414 L420 H421 V422 L491 Y538 F642	M414-V418 HydrophobicContact CE-CG2 4.32Å; M414-V418 HydrophobicContact CG-CG2 4.24Å; M414-V418 WeakPolarHBondContact O-CB 3.4Å; M414-V418 VanDerWaalsContact O-CG2 3.29Å; M414-V418 WeakPolarHBondContact O-CG2 3.42Å; M414-V418 PolarHBondContact O-N 3.48Å; V418-L420 PolarHBondContact O-N 3.38Å; V418-H421 PolarHBondContact O-N 3.25Å; V418-V422 HydrophobicContact CG1-CG2 4.49Å; V418-V422 WeakPolarHBondContact O-CB 3.48Å; V418-V422 WeakPolarHBondContact O-CG2 3.39Å; V418-V422 PolarHBondContact O-N 3.34Å; V418-L491 HydrophobicContact CG1-CD1 4.14Å; V418-Y538 HydrophobicContact CG2-CE2 4.46Å; V418-F642 HydrophobicContact CG2-CE2 4.03Å; V418-F642 HydrophobicContact CG2-CZ 3.7Å
419	H	93	Very high	87.9	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.6	-42.9	179	170.3	71.7	0	0	0	113	C415 Q417 H421 V422 D423 R424 T437 D438 I441 L483	C415-H419 WeakPolarHBondContact O-CB 3.23Å; C415-H419 PolarHBondContact O-N 3.35Å; Q417-H419 PolarHBondContact O-N 2.71Å; H419-H421 VanDerWaalsContact C-N 3.31Å; H419-H421 PolarHBondContact O-N 2.91Å; H419-V422 PolarHBondContact O-N 3.29Å; H419-D423 IonicContact CE1-OD2 3.14Å; H419-D423 IonicContact CG-OD2 3.45Å; H419-D423 WeakPolarHBondContact ND1-CB 3.38Å; H419-D423 IonicContact ND1-OD2 3.01Å; H419-D423 PolarHBondContact ND1-OD2 3.38Å; H419-D423 PolarHBondContact O-N 3.01Å; H419-R424 WeakPolarHBondContact NE2-CG 3.22Å; H419-R424 PolarHBondContact O-N 3.49Å; H419-T437 PolarHBondContact CE1-OG1 3.42Å; H419-D438 IonicContact CE1-OD1 2.66Å; H419-D438 IonicContact NE2-OD1 2.83Å; H419-D438 PolarHBondContact NE2-OD1 3.33Å; H419-I441 HydrophobicContact CB-CD1 3.19Å; H419-I441 WeakPolarHBondContact CD2-CD1 3.18Å; H419-I441 WeakPolarHBondContact ND1-CD1 3.46Å; H419-L483 HydrophobicContact CB-CD2 4.04Å
420	L	93.6	Very high	86.8	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.144	C	C	.	.	I	π-helix	trans	-53	-52.7	175.8	171.5	61.2	0	0	0	110	E416 Q417 V418 R424 L425 L1020 I1039	E416-L420 VanDerWaalsContact O-CB 3.32Å; E416-L420 WeakPolarHBondContact O-CB 3.3Å; E416-L420 PolarHBondContact O-N 3.3Å; Q417-L420 PolarHBondContact O-N 3.43Å; V418-L420 PolarHBondContact O-N 3.38Å; L420-R424 HydrophobicContact CD1-CB 4.28Å; L420-R424 PolarHBondContact O-N 2.95Å; L420-L425 HydrophobicContact CD1-CD1 4.46Å; L420-L425 HydrophobicContact CD1-CD2 4.44Å; L420-L425 HydrophobicContact CD1-CG 4.15Å; L420-L425 HydrophobicContact CG-CD1 4.35Å; L420-L425 HydrophobicContact CG-CG 4.46Å; L420-L425 WeakPolarHBondContact O-CB 3.31Å; L420-L425 VanDerWaalsContact O-CG 3.27Å; L420-L425 WeakPolarHBondContact O-CG 3.43Å; L420-L425 PolarHBondContact O-N 3.32Å; L420-L1020 HydrophobicContact CD2-CD1 3.97Å; L420-L1020 HydrophobicContact CD2-CD2 4.32Å; L420-L1020 HydrophobicContact CD2-CG 3.77Å; L420-I1039 HydrophobicContact CD1-CD1 4.01Å; L420-I1039 HydrophobicContact CD1-CG1 3.84Å; L420-I1039 HydrophobicContact CD2-CD1 4.35Å; L420-I1039 HydrophobicContact CD2-CG2 4.16Å
421	H	92.2	Very high	85.7	Confident	11 Å²	11	29.2 Å²	29.2	5%	0.051	15%	0.154	C	C	.	.	I	π-helix	trans	-68.8	-35.7	-177.1	-74.2	-75.1	0	0	0	114.2	Q417 V418 H419 S426 W1004 G1006 K1067	Q417-H421 PolarHBondContact O-CD2 2.71Å; Q417-H421 PolarHBondContact O-N 3.07Å; V418-H421 PolarHBondContact O-N 3.25Å; H419-H421 VanDerWaalsContact C-N 3.31Å; H419-H421 PolarHBondContact O-N 2.91Å; H421-S426 PolarHBondContact O-OG 2.84Å; H421-W1004 HydrophobicContact CB-CH2 4.06Å; H421-W1004 HydrophobicContact CB-CZ2 3.79Å; H421-W1004 AromaticContact CD2-CH2 3.44Å; H421-W1004 VanDerWaalsContact CD2-CH2 3.44Å; H421-W1004 WeakPolarHBondContact CD2-CH2 3.4Å; H421-W1004 AromaticContact CD2-CZ2 3.76Å; H421-W1004 AromaticContact CG-CH2 3.73Å; H421-W1004 AromaticContact CG-CZ2 3.57Å; H421-W1004 AromaticContact ND1-CZ2 3.97Å; H421-G1006 PolarHBondContact CE1-O 3Å; H421-G1006 VanDerWaalsContact NE2-CA 3.33Å; H421-G1006 WeakPolarHBondContact NE2-CA 3.27Å; H421-G1006 PolarHBondContact NE2-O 3.07Å; H421-K1067 PolarHBondContact ND1-O 3.44Å
422	V	89.5	Confident	84.8	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.012	19%	0.188	C	C	.	.	I	π-helix	trans	-94.3	-41.4	-171.2	176	0	0	0	0	113.9	V418 H419 S426 S487 K490 L491	V418-V422 HydrophobicContact CG1-CG2 4.49Å; V418-V422 WeakPolarHBondContact O-CB 3.48Å; V418-V422 WeakPolarHBondContact O-CG2 3.39Å; V418-V422 PolarHBondContact O-N 3.34Å; H419-V422 PolarHBondContact O-N 3.29Å; V422-S426 VanDerWaalsContact O-CB 3.29Å; V422-S426 WeakPolarHBondContact O-CB 3.49Å; V422-S487 VanDerWaalsContact CG1-OG 3.3Å; V422-S487 WeakPolarHBondContact CG1-OG 3.32Å; V422-K490 HydrophobicContact CG1-CD 3.52Å; V422-L491 HydrophobicContact CG2-CD1 3.79Å; V422-L491 HydrophobicContact CG2-CD2 3.49Å; V422-L491 VanDerWaalsContact CG2-CD2 3.49Å; V422-L491 HydrophobicContact CG2-CG 3.53Å
423	D	83.8	Confident	84	Confident	5 Å²	5	39.9 Å²	39.9	3%	0.027	20%	0.202	C	C	.	.	I	π-helix	trans	-105	-35.2	-171.1	-56.2	-57.4	0	0	0	112	H419	H419-D423 IonicContact CE1-OD2 3.14Å; H419-D423 IonicContact CG-OD2 3.45Å; H419-D423 WeakPolarHBondContact ND1-CB 3.38Å; H419-D423 IonicContact ND1-OD2 3.01Å; H419-D423 PolarHBondContact ND1-OD2 3.38Å; H419-D423 PolarHBondContact O-N 3.01Å
424	R	84.9	Confident	83.1	Confident	1 Å²	1	39.5 Å²	39.5	0%	0.004	20%	0.199	C	C	.	.	I	π-helix	trans	-87.2	-41	-178.8	-64	-72.1	-68.1	-111.5	-4.6	112.9	H419 L420 D438 W1023 N1037	H419-R424 WeakPolarHBondContact NE2-CG 3.22Å; H419-R424 PolarHBondContact O-N 3.49Å; L420-R424 HydrophobicContact CD1-CB 4.28Å; L420-R424 PolarHBondContact O-N 2.95Å; R424-D438 IonicContact NH1-OD1 3.27Å; R424-D438 PolarHBondContact NH1-OD1 2.85Å; R424-D438 IonicContact NH1-OD2 3.01Å; R424-D438 PolarHBondContact NH1-OD2 3.32Å; R424-W1023 PolarHBondContact NH2-O 2.94Å; R424-N1037 PolarHBondContact NH2-OD1 2.71Å
425	L	83.1	Confident	82.4	Confident	11 Å²	11	41.8 Å²	41.8	6%	0.058	21%	0.213	C	C	.	.	S	Bend	trans	-84.8	-36.4	179.9	-65.6	-175.8	0	0	0	113.4	L420 I1039 I1066 I1069 Y1140 L1142	L420-L425 HydrophobicContact CD1-CD1 4.46Å; L420-L425 HydrophobicContact CD1-CD2 4.44Å; L420-L425 HydrophobicContact CD1-CG 4.15Å; L420-L425 HydrophobicContact CG-CD1 4.35Å; L420-L425 HydrophobicContact CG-CG 4.46Å; L420-L425 WeakPolarHBondContact O-CB 3.31Å; L420-L425 VanDerWaalsContact O-CG 3.27Å; L420-L425 WeakPolarHBondContact O-CG 3.43Å; L420-L425 PolarHBondContact O-N 3.32Å; L425-I1039 HydrophobicContact CD2-CD1 4.44Å; L425-I1066 HydrophobicContact CD1-CG2 4.36Å; L425-I1069 HydrophobicContact CD1-CG2 3.83Å; L425-I1069 HydrophobicContact CD2-CD1 4.5Å; L425-I1069 HydrophobicContact CD2-CG2 3.59Å; L425-I1069 HydrophobicContact CG-CG2 4.22Å; L425-Y1140 HydrophobicContact CD2-CD2 3.93Å; L425-Y1140 HydrophobicContact CD2-CE1 4.21Å; L425-Y1140 HydrophobicContact CD2-CE2 3.24Å; L425-Y1140 VanDerWaalsContact CD2-CZ 3.4Å; L425-L1142 HydrophobicContact CB-CD2 4.27Å; L425-L1142 HydrophobicContact CD2-CD2 4.15Å; L425-L1142 WeakPolarHBondContact O-CD1 3.42Å; L425-L1142 WeakPolarHBondContact O-CD2 3.39Å
426	S	69.9	Low	81.9	Confident	78 Å²	78	44.3 Å²	44.3	55%	0.545	23%	0.234	S	C	.	.	S	Bend	trans	-89.7	-13.2	-172.3	-53.8	0	0	0	0	115.1	H421 V422	H421-S426 PolarHBondContact O-OG 2.84Å; V422-S426 VanDerWaalsContact O-CB 3.29Å; V422-S426 WeakPolarHBondContact O-CB 3.49Å
427	Q	61.7	Low	81.5	Confident	57 Å²	57	44.4 Å²	44.4	27%	0.266	24%	0.235	S	C	.	.			trans	-137.4	51.3	-165.7	-55.1	-162.1	-10.7	0	0	114.8	N429 D430 K433 Q434	Q427-N429 PolarHBondContact O-N 3.42Å; Q427-D430 PolarHBondContact O-N 3.25Å; Q427-K433 VanDerWaalsContact OE1-CE 3.31Å; Q427-Q434 PolarHBondContact O-NE2 3.35Å
428	M	56.1	Low	81.2	Confident	88 Å²	88	44 Å²	44	43%	0.433	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.4	-177.2	-78.5	-163.2	167.2	0	0	115.2	Q434 Y1140 L1142	M428-Q434 PolarHBondContact O-NE2 3.27Å; M428-Y1140 HydrophobicContact CE-CE2 3.85Å; M428-L1142 HydrophobicContact CE-CD1 4.45Å; M428-L1142 HydrophobicContact CE-CG 4.4Å; M428-L1142 HydrophobicContact CG-CD1 4.32Å; M428-L1142 HydrophobicContact SD-CD1 4.2Å
429	N	62.5	Low	81	Confident	168 Å²	168	49.3 Å²	49.3	90%	0.898	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-7.6	-170.1	-63.9	-12.5	0	0	0	115.4	Q427	Q427-N429 PolarHBondContact O-N 3.42Å
430	D	76.2	Confident	81	Confident	73 Å²	73	51.8 Å²	51.8	39%	0.39	27%	0.271	S	S	.	.			trans	-111.7	81.6	178.8	-169.4	-11.6	0	0	0	111.5	Q427 Q432 K433 Q434	Q427-D430 PolarHBondContact O-N 3.25Å; D430-Q432 VanDerWaalsContact C-N 3.34Å; D430-Q432 PolarHBondContact O-N 2.05Å; D430-Q432 PolarHBondContact OD1-N 3.01Å; D430-K433 HydrophobicContact CB-CB 4.05Å; D430-K433 PolarHBondContact O-N 2.86Å; D430-K433 WeakPolarHBondContact OD1-CB 3.15Å; D430-K433 PolarHBondContact OD1-N 3.46Å; D430-K433 VanDerWaalsContact OD2-CB 3.29Å; D430-K433 WeakPolarHBondContact OD2-CB 3.12Å; D430-Q434 WeakPolarHBondContact O-CG 3.44Å; D430-Q434 PolarHBondContact O-N 3.02Å; D430-Q434 VanDerWaalsContact O-N 3.08Å
431	Y	74.9	Confident	81	Confident	68 Å²	68	51.7 Å²	51.7	27%	0.267	27%	0.27	S	S	.	.	H	α-helix	trans	-63.3	-37.6	-178.4	-176.7	-93.2	0	0	0	113	K433 Q434 V435 R1027 P1031	Y431-K433 VanDerWaalsContact C-N 3.32Å; Y431-K433 PolarHBondContact O-N 3.32Å; Y431-Q434 PolarHBondContact O-N 2.89Å; Y431-V435 HydrophobicContact CD1-CG2 3.99Å; Y431-V435 HydrophobicContact CE1-CG2 3.36Å; Y431-V435 HydrophobicContact CE2-CG2 4.33Å; Y431-V435 WeakPolarHBondContact O-CG2 3.42Å; Y431-V435 PolarHBondContact O-N 2.91Å; Y431-R1027 WeakPolarHBondContact OH-CD 3.29Å; Y431-P1031 HydrophobicContact CD1-CG 4.45Å; Y431-P1031 HydrophobicContact CE1-CB 3.69Å; Y431-P1031 HydrophobicContact CE1-CG 3.33Å; Y431-P1031 HydrophobicContact CE2-CB 4.38Å; Y431-P1031 WeakPolarHBondContact OH-CB 3.31Å; Y431-P1031 VanDerWaalsContact OH-CG 3.24Å; Y431-P1031 WeakPolarHBondContact OH-CG 2.96Å
432	Q	78.4	Confident	81.2	Confident	167 Å²	167	51.2 Å²	51.2	78%	0.78	27%	0.268	S	S	*	.	H	α-helix	trans	-64.6	-41.8	-179.4	-72.6	-177.1	-18.4	0	0	110.8	D430 V435 A436	D430-Q432 VanDerWaalsContact C-N 3.34Å; D430-Q432 PolarHBondContact O-N 2.05Å; D430-Q432 PolarHBondContact OD1-N 3.01Å; Q432-V435 PolarHBondContact O-N 3.17Å; Q432-A436 PolarHBondContact O-N 3.39Å; Q432-A436 VanDerWaalsContact O-N 3.09Å
433	K	81.1	Confident	81.6	Confident	73 Å²	73	53.1 Å²	53.1	32%	0.317	28%	0.28	S	S	.	.	H	α-helix	trans	-65	-42.6	174.2	-174.6	178.6	-178.6	-178.4	0	112.6	Q427 D430 Y431 V435 A436 T437	Q427-K433 VanDerWaalsContact OE1-CE 3.31Å; D430-K433 HydrophobicContact CB-CB 4.05Å; D430-K433 PolarHBondContact O-N 2.86Å; D430-K433 WeakPolarHBondContact OD1-CB 3.15Å; D430-K433 PolarHBondContact OD1-N 3.46Å; D430-K433 VanDerWaalsContact OD2-CB 3.29Å; D430-K433 WeakPolarHBondContact OD2-CB 3.12Å; Y431-K433 VanDerWaalsContact C-N 3.32Å; Y431-K433 PolarHBondContact O-N 3.32Å; K433-V435 VanDerWaalsContact C-N 3.34Å; K433-V435 PolarHBondContact O-N 3.27Å; K433-A436 PolarHBondContact O-N 3.35Å; K433-T437 HydrophobicContact CG-CG2 4.46Å; K433-T437 PolarHBondContact O-N 3.25Å; K433-T437 PolarHBondContact O-OG1 2.93Å; K433-T437 VanDerWaalsContact O-OG1 3.04Å
434	Q	79.6	Confident	82.3	Confident	7 Å²	7	52.9 Å²	52.9	3%	0.033	28%	0.279	C	S	.	.	H	α-helix	trans	-55.9	-48.8	175.9	-74.8	174	28.1	0	0	111.3	Q427 M428 D430 Y431 A436 T437 D438 N1037	Q427-Q434 PolarHBondContact O-NE2 3.35Å; M428-Q434 PolarHBondContact O-NE2 3.27Å; D430-Q434 WeakPolarHBondContact O-CG 3.44Å; D430-Q434 PolarHBondContact O-N 3.02Å; D430-Q434 VanDerWaalsContact O-N 3.08Å; Y431-Q434 PolarHBondContact O-N 2.89Å; Q434-A436 VanDerWaalsContact C-N 3.33Å; Q434-A436 PolarHBondContact O-N 3.48Å; Q434-T437 WeakPolarHBondContact CA-OG1 3.37Å; Q434-T437 PolarHBondContact O-N 3.14Å; Q434-T437 PolarHBondContact O-OG1 2.94Å; Q434-D438 WeakPolarHBondContact O-CB 3.47Å; Q434-D438 VanDerWaalsContact O-CG 3.31Å; Q434-D438 PolarHBondContact O-N 2.61Å; Q434-N1037 PolarHBondContact OE1-ND2 3.16Å
435	V	82.9	Confident	82.9	Confident	49 Å²	49	53.6 Å²	53.6	30%	0.297	28%	0.281	S	S	.	.	H	α-helix	trans	-58.2	-45.7	177.1	171.7	0	0	0	0	111.4	Y431 Q432 K433 T437 D438 E439	Y431-V435 HydrophobicContact CD1-CG2 3.99Å; Y431-V435 HydrophobicContact CE1-CG2 3.36Å; Y431-V435 HydrophobicContact CE2-CG2 4.33Å; Y431-V435 WeakPolarHBondContact O-CG2 3.42Å; Y431-V435 PolarHBondContact O-N 2.91Å; Q432-V435 PolarHBondContact O-N 3.17Å; K433-V435 VanDerWaalsContact C-N 3.34Å; K433-V435 PolarHBondContact O-N 3.27Å; V435-T437 PolarHBondContact O-N 3.4Å; V435-D438 PolarHBondContact O-N 3.23Å; V435-E439 PolarHBondContact O-N 3.23Å; V435-E439 VanDerWaalsContact O-N 3.12Å
436	A	86.3	Confident	83.6	Confident	52 Å²	52	55.8 Å²	55.8	43%	0.43	29%	0.29	S	S	.	.	H	α-helix	trans	-62.4	-42.9	178.7	0	0	0	0	0	112.1	Q432 K433 Q434 E439 L440	Q432-A436 PolarHBondContact O-N 3.39Å; Q432-A436 VanDerWaalsContact O-N 3.09Å; K433-A436 PolarHBondContact O-N 3.35Å; Q434-A436 VanDerWaalsContact C-N 3.33Å; Q434-A436 PolarHBondContact O-N 3.48Å; A436-E439 PolarHBondContact O-N 2.8Å; A436-L440 WeakPolarHBondContact O-CG 3.41Å; A436-L440 PolarHBondContact O-N 3.37Å
437	T	88.6	Confident	85	Confident	11 Å²	11	52.9 Å²	52.9	7%	0.067	27%	0.27	C	S	.	.	H	α-helix	trans	-71.5	-38.6	178.7	50.3	0	0	0	0	113.1	H419 K433 Q434 V435 E439 L440 I441 L483	H419-T437 PolarHBondContact CE1-OG1 3.42Å; K433-T437 HydrophobicContact CG-CG2 4.46Å; K433-T437 PolarHBondContact O-N 3.25Å; K433-T437 PolarHBondContact O-OG1 2.93Å; K433-T437 VanDerWaalsContact O-OG1 3.04Å; Q434-T437 WeakPolarHBondContact CA-OG1 3.37Å; Q434-T437 PolarHBondContact O-N 3.14Å; Q434-T437 PolarHBondContact O-OG1 2.94Å; V435-T437 PolarHBondContact O-N 3.4Å; T437-E439 PolarHBondContact O-N 3.04Å; T437-L440 PolarHBondContact O-N 3.18Å; T437-I441 PolarHBondContact O-N 2.92Å; T437-L483 HydrophobicContact CG2-CD1 3.87Å
438	D	90.5	Very high	86.8	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.011	26%	0.259	C	S	.	.	H	α-helix	trans	-57.8	-41.7	175.1	-78.9	-3.9	0	0	0	109.8	H419 R424 Q434 V435 L440 I441 D442	H419-D438 IonicContact CE1-OD1 2.66Å; H419-D438 IonicContact NE2-OD1 2.83Å; H419-D438 PolarHBondContact NE2-OD1 3.33Å; R424-D438 IonicContact NH1-OD1 3.27Å; R424-D438 PolarHBondContact NH1-OD1 2.85Å; R424-D438 IonicContact NH1-OD2 3.01Å; R424-D438 PolarHBondContact NH1-OD2 3.32Å; Q434-D438 WeakPolarHBondContact O-CB 3.47Å; Q434-D438 VanDerWaalsContact O-CG 3.31Å; Q434-D438 PolarHBondContact O-N 2.61Å; V435-D438 PolarHBondContact O-N 3.23Å; D438-L440 PolarHBondContact O-N 3.21Å; D438-I441 PolarHBondContact O-N 3.43Å; D438-D442 WeakPolarHBondContact O-CB 3.08Å; D438-D442 PolarHBondContact O-N 3.25Å
439	E	91.5	Very high	88.8	Confident	111 Å²	111	46.4 Å²	46.4	52%	0.519	24%	0.238	S	C	.	.	H	α-helix	trans	-65.1	-36.5	179.5	-174.1	171.2	-162.9	0	0	113.4	V435 A436 T437 I441 D442 T443	V435-E439 PolarHBondContact O-N 3.23Å; V435-E439 VanDerWaalsContact O-N 3.12Å; A436-E439 PolarHBondContact O-N 2.8Å; T437-E439 PolarHBondContact O-N 3.04Å; E439-I441 PolarHBondContact O-N 3.31Å; E439-D442 PolarHBondContact O-N 2.87Å; E439-T443 PolarHBondContact O-N 2.87Å; E439-T443 PolarHBondContact O-OG1 2.92Å
440	L	92.8	Very high	90.5	Very high	52 Å²	52	38.8 Å²	38.8	27%	0.272	20%	0.198	S	C	.	.	H	α-helix	trans	-62.1	-44.1	178.1	-66.2	176.4	0	0	0	111.8	A436 T437 D438 T443 L479	A436-L440 WeakPolarHBondContact O-CG 3.41Å; A436-L440 PolarHBondContact O-N 3.37Å; T437-L440 PolarHBondContact O-N 3.18Å; D438-L440 PolarHBondContact O-N 3.21Å; L440-T443 WeakPolarHBondContact O-CB 3.42Å; L440-L479 HydrophobicContact CD2-CB 4.33Å; L440-L479 HydrophobicContact CD2-CD1 4.35Å; L440-L479 HydrophobicContact CD2-CD2 4.07Å; L440-L479 HydrophobicContact CD2-CG 4.47Å
441	I	94.6	Very high	91.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-74.2	-41.6	178.9	-52.2	174.5	0	0	0	110.4	L412 E416 H419 T437 D438 E439 T443 L444 R445 L483	L412-I441 HydrophobicContact CD1-CG2 3.9Å; E416-I441 HydrophobicContact CG-CG2 4.13Å; H419-I441 HydrophobicContact CB-CD1 3.19Å; H419-I441 WeakPolarHBondContact CD2-CD1 3.18Å; H419-I441 WeakPolarHBondContact ND1-CD1 3.46Å; T437-I441 PolarHBondContact O-N 2.92Å; D438-I441 PolarHBondContact O-N 3.43Å; E439-I441 PolarHBondContact O-N 3.31Å; I441-T443 PolarHBondContact O-N 3.04Å; I441-T443 VanDerWaalsContact O-N 3.16Å; I441-L444 PolarHBondContact O-N 3.34Å; I441-R445 PolarHBondContact O-N 3.12Å; I441-L483 HydrophobicContact CD1-CD2 3.47Å; I441-L483 VanDerWaalsContact CD1-CD2 3.47Å; I441-L483 HydrophobicContact CG1-CD2 3.37Å
442	D	96.2	Very high	92.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.9	-28.7	178.2	-166.3	44.1	0	0	0	111.8	R173 D438 E439 L444 R445 K446 N1026	R173-D442 WeakPolarHBondContact CD-OD1 3.32Å; R173-D442 IonicContact CZ-OD1 3.25Å; R173-D442 IonicContact CZ-OD2 3.82Å; R173-D442 IonicContact NE-OD1 3.25Å; R173-D442 PolarHBondContact NE-OD1 3.44Å; R173-D442 IonicContact NE-OD2 3.35Å; R173-D442 IonicContact NH2-OD1 3.71Å; R173-D442 PolarHBondContact NH2-OD1 3.34Å; R173-D442 IonicContact NH2-OD2 3.77Å; R173-D442 PolarHBondContact NH2-OD2 3.02Å; D438-D442 WeakPolarHBondContact O-CB 3.08Å; D438-D442 PolarHBondContact O-N 3.25Å; E439-D442 PolarHBondContact O-N 2.87Å; D442-L444 VanDerWaalsContact C-N 3.34Å; D442-L444 PolarHBondContact O-N 3.45Å; D442-R445 PolarHBondContact O-N 3.26Å; D442-K446 WeakPolarHBondContact O-CB 3.43Å; D442-K446 WeakPolarHBondContact O-CG 3.38Å; D442-K446 PolarHBondContact O-N 2.88Å; D442-K446 WeakPolarHBondContact OD2-CE 3.32Å; D442-K446 IonicContact OD2-NZ 3.24Å; D442-K446 PolarHBondContact OD2-NZ 2.9Å; D442-N1026 HydrophobicContact CB-CB 4.08Å; D442-N1026 PolarHBondContact OD2-ND2 3.22Å
443	T	97.3	Very high	93.7	Very high	43 Å²	43	24.2 Å²	24.2	26%	0.264	13%	0.13	S	C	.	.	H	α-helix	trans	-61.2	-40.6	172.8	-58.7	0	0	0	0	112.3	E439 L440 I441 T447 A476 L479	E439-T443 PolarHBondContact O-N 2.87Å; E439-T443 PolarHBondContact O-OG1 2.92Å; L440-T443 WeakPolarHBondContact O-CB 3.42Å; I441-T443 PolarHBondContact O-N 3.04Å; I441-T443 VanDerWaalsContact O-N 3.16Å; T443-T447 WeakPolarHBondContact O-CB 3.44Å; T443-T447 PolarHBondContact O-N 3.37Å; T443-T447 PolarHBondContact O-OG1 3.14Å; T443-A476 HydrophobicContact CG2-CB 4.03Å; T443-L479 HydrophobicContact CG2-CD1 3.73Å
444	L	98.4	Very high	94.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-72.5	-40	174.9	-176.5	58.2	0	0	0	111.8	A408 L411 L412 I441 D442 K446 T447 L448 L473 A476 C480	A408-L444 HydrophobicContact CB-CD1 4.47Å; L411-L444 HydrophobicContact CD2-CD2 4.41Å; L411-L444 HydrophobicContact CG-CD2 4.43Å; L412-L444 HydrophobicContact CB-CD2 3.89Å; L412-L444 HydrophobicContact CB-CG 4.32Å; L412-L444 HydrophobicContact CD1-CB 4.41Å; L412-L444 HydrophobicContact CD1-CD2 4.21Å; L412-L444 HydrophobicContact CD1-CG 4.28Å; I441-L444 PolarHBondContact O-N 3.34Å; D442-L444 VanDerWaalsContact C-N 3.34Å; D442-L444 PolarHBondContact O-N 3.45Å; L444-K446 PolarHBondContact O-N 3.26Å; L444-T447 PolarHBondContact O-N 3.14Å; L444-L448 HydrophobicContact CD1-CD1 4.13Å; L444-L448 HydrophobicContact CD1-CG 4.17Å; L444-L448 HydrophobicContact CG-CD1 4.06Å; L444-L448 WeakPolarHBondContact O-CB 3.31Å; L444-L448 PolarHBondContact O-N 3.14Å; L444-L473 HydrophobicContact CD1-CD1 4.09Å; L444-A476 HydrophobicContact CB-CB 4.27Å; L444-A476 HydrophobicContact CD1-CB 3.95Å; L444-C480 HydrophobicContact CD2-CB 3.91Å
445	R	98.3	Very high	95.4	Very high	15 Å²	15	20.6 Å²	20.6	6%	0.057	11%	0.114	C	C	.	.	H	α-helix	trans	-55.8	-49.4	173.9	-65.3	-177.2	-175	119.6	-3.7	111.8	L412 E416 I441 D442 G449 T1021 L1025	L412-R445 HydrophobicContact CD1-CG 3.78Å; L412-R445 HydrophobicContact CD2-CG 4.02Å; E416-R445 IonicContact OE1-CZ 3.92Å; E416-R445 VanDerWaalsContact OE1-CZ 3.23Å; E416-R445 IonicContact OE1-NE 3.06Å; E416-R445 PolarHBondContact OE1-NE 2.87Å; E416-R445 IonicContact OE1-NH2 3.92Å; E416-R445 PolarHBondContact OE1-NH2 3.45Å; I441-R445 PolarHBondContact O-N 3.12Å; D442-R445 PolarHBondContact O-N 3.26Å; R445-G449 PolarHBondContact O-N 2.82Å; R445-T1021 PolarHBondContact NH2-OG1 3.22Å; R445-T1021 VanDerWaalsContact NH2-OG1 3.1Å; R445-L1025 PolarHBondContact NH1-O 2.74Å
446	K	98.3	Very high	96.2	Very high	57 Å²	57	18.3 Å²	18.3	25%	0.248	10%	0.101	C	C	.	.	H	α-helix	trans	-64.2	-43	178.6	-68.4	171.9	167.1	150.6	0	111.7	W154 D442 L444 G449 V450	W154-K446 HydrophobicContact CD2-CB 4.45Å; W154-K446 HydrophobicContact CD2-CG 4.23Å; W154-K446 HydrophobicContact CE3-CG 4.41Å; W154-K446 HydrophobicContact CH2-CB 4.43Å; W154-K446 HydrophobicContact CH2-CD 3.74Å; W154-K446 VanDerWaalsContact CH2-CE 3.42Å; W154-K446 HydrophobicContact CH2-CG 3.59Å; W154-K446 HydrophobicContact CZ2-CB 3.67Å; W154-K446 HydrophobicContact CZ2-CD 3.63Å; W154-K446 HydrophobicContact CZ2-CG 3.31Å; W154-K446 HydrophobicContact CZ3-CG 4.11Å; W154-K446 PolarHBondContact NE1-O 2.82Å; D442-K446 WeakPolarHBondContact O-CB 3.43Å; D442-K446 WeakPolarHBondContact O-CG 3.38Å; D442-K446 PolarHBondContact O-N 2.88Å; D442-K446 WeakPolarHBondContact OD2-CE 3.32Å; D442-K446 IonicContact OD2-NZ 3.24Å; D442-K446 PolarHBondContact OD2-NZ 2.9Å; L444-K446 PolarHBondContact O-N 3.26Å; K446-G449 PolarHBondContact O-N 3.1Å; K446-V450 WeakPolarHBondContact O-CG2 3.44Å; K446-V450 PolarHBondContact O-N 3.28Å
447	T	98.7	Very high	96.7	Very high	18 Å²	18	16 Å²	16	11%	0.11	8%	0.082	C	C	.	.	H	α-helix	trans	-64.9	-47	179.3	-58.4	0	0	0	0	111.6	T443 L444 G449 V450 L451 R472 L473 A476	T443-T447 WeakPolarHBondContact O-CB 3.44Å; T443-T447 PolarHBondContact O-N 3.37Å; T443-T447 PolarHBondContact O-OG1 3.14Å; L444-T447 PolarHBondContact O-N 3.14Å; T447-G449 PolarHBondContact O-N 3.33Å; T447-V450 WeakPolarHBondContact O-CB 3.38Å; T447-V450 PolarHBondContact O-N 3.2Å; T447-V450 VanDerWaalsContact O-N 3.14Å; T447-L451 HydrophobicContact CG2-CD1 3.86Å; T447-L451 WeakPolarHBondContact O-CD1 3.47Å; T447-L451 PolarHBondContact O-N 3Å; T447-R472 HydrophobicContact CG2-CB 3.85Å; T447-L473 HydrophobicContact CG2-CB 4.39Å; T447-L473 HydrophobicContact CG2-CD1 4.02Å; T447-A476 HydrophobicContact CG2-CB 4.07Å; T447-A476 WeakPolarHBondContact OG1-CB 3.37Å
448	L	98.7	Very high	97.2	Very high	7 Å²	7	15.5 Å²	15.5	4%	0.037	8%	0.078	C	C	.	.	H	α-helix	trans	-60.2	-37.5	173.3	-82.6	167.5	0	0	0	111.8	V405 A408 L412 L444 L451 Q452 L473	V405-L448 HydrophobicContact CG1-CD2 4.17Å; A408-L448 HydrophobicContact CB-CD2 3.96Å; L412-L448 HydrophobicContact CB-CD1 3.89Å; L412-L448 HydrophobicContact CD2-CD1 3.71Å; L412-L448 HydrophobicContact CG-CD1 4.4Å; L444-L448 HydrophobicContact CD1-CD1 4.13Å; L444-L448 HydrophobicContact CD1-CG 4.17Å; L444-L448 HydrophobicContact CG-CD1 4.06Å; L444-L448 WeakPolarHBondContact O-CB 3.31Å; L444-L448 PolarHBondContact O-N 3.14Å; L448-L451 CarbonylContact O-C 3.05Å; L448-L451 PolarHBondContact O-N 3.24Å; L448-L451 VanDerWaalsContact O-N 3.16Å; L448-Q452 VanDerWaalsContact O-CG 3.32Å; L448-Q452 WeakPolarHBondContact O-CG 3.49Å; L448-Q452 PolarHBondContact O-N 3.44Å; L448-Q452 PolarHBondContact O-NE2 3.11Å; L448-L473 HydrophobicContact CD2-CD1 4.03Å; L448-L473 HydrophobicContact CG-CD1 4.23Å
449	G	98.7	Very high	97.5	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-61.2	-40.5	173.8	0	0	0	0	0	113.4	S155 R445 K446 T447 L451 Q452	S155-G449 WeakPolarHBondContact CB-O 3.4Å; S155-G449 PolarHBondContact OG-O 3Å; R445-G449 PolarHBondContact O-N 2.82Å; K446-G449 PolarHBondContact O-N 3.1Å; T447-G449 PolarHBondContact O-N 3.33Å; G449-L451 VanDerWaalsContact C-N 3.35Å; G449-Q452 PolarHBondContact O-N 3.27Å
450	V	98.9	Very high	97.8	Very high	9 Å²	9	10.2 Å²	10.2	6%	0.055	5%	0.054	C	C	.	.	H	α-helix	trans	-60.8	-46.8	171	170.2	0	0	0	0	110.2	V74 V80 T121 K446 T447 Q452 H453 Y469	V74-V450 HydrophobicContact CB-CG1 4.39Å; V74-V450 HydrophobicContact CG2-CG1 4.17Å; V80-V450 HydrophobicContact CG2-CG1 3.84Å; T121-V450 HydrophobicContact CG2-CG2 3.86Å; K446-V450 WeakPolarHBondContact O-CG2 3.44Å; K446-V450 PolarHBondContact O-N 3.28Å; T447-V450 WeakPolarHBondContact O-CB 3.38Å; T447-V450 PolarHBondContact O-N 3.2Å; T447-V450 VanDerWaalsContact O-N 3.14Å; V450-Q452 PolarHBondContact O-N 2.83Å; V450-H453 WeakPolarHBondContact O-CB 3.45Å; V450-H453 PolarHBondContact O-N 3.25Å; V450-H453 VanDerWaalsContact O-N 3.07Å; V450-Y469 HydrophobicContact CG1-CD1 4.16Å; V450-Y469 HydrophobicContact CG1-CE1 3.69Å
451	L	98.7	Very high	98.1	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-70.8	-11.7	-177.7	-82.9	82.4	0	0	0	113.8	L401 V405 T447 L448 G449 H453 A456 V457 Y469 L473	L401-L451 HydrophobicContact CD1-CD2 4.24Å; V405-L451 HydrophobicContact CG2-CB 4.06Å; V405-L451 HydrophobicContact CG2-CD2 3.59Å; V405-L451 HydrophobicContact CG2-CG 4.46Å; T447-L451 HydrophobicContact CG2-CD1 3.86Å; T447-L451 WeakPolarHBondContact O-CD1 3.47Å; T447-L451 PolarHBondContact O-N 3Å; L448-L451 CarbonylContact O-C 3.05Å; L448-L451 PolarHBondContact O-N 3.24Å; L448-L451 VanDerWaalsContact O-N 3.16Å; G449-L451 VanDerWaalsContact C-N 3.35Å; L451-H453 PolarHBondContact O-N 3.18Å; L451-A456 WeakPolarHBondContact O-CB 3.41Å; L451-V457 VanDerWaalsContact O-CB 3.25Å; L451-V457 WeakPolarHBondContact O-CB 3.38Å; L451-V457 PolarHBondContact O-N 2.96Å; L451-V457 VanDerWaalsContact O-N 3.17Å; L451-Y469 HydrophobicContact CD1-CD1 4.18Å; L451-Y469 HydrophobicContact CG-CD1 4.3Å; L451-Y469 HydrophobicContact CG-CG 4.3Å; L451-L473 HydrophobicContact CD2-CB 4.24Å; L451-L473 HydrophobicContact CD2-CD1 4.38Å; L451-L473 HydrophobicContact CD2-CD2 3.87Å; L451-L473 HydrophobicContact CD2-CG 4.4Å
452	Q	98.7	Very high	98.2	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-11.7	171.1	-62.6	-35.2	-77.9	0	0	113	A157 D158 V162 D166 Q170 L448 G449 V450	A157-Q452 CarbonylContact C-O 3.56Å; A157-Q452 WeakPolarHBondContact CA-O 3.45Å; A157-Q452 HydrophobicContact CB-CB 4.04Å; D158-Q452 PolarHBondContact N-O 2.8Å; V162-Q452 HydrophobicContact CG2-CB 4.37Å; D166-Q452 HydrophobicContact CB-CG 4.18Å; D166-Q452 VanDerWaalsContact CB-OE1 3.27Å; Q170-Q452 HydrophobicContact CB-CG 4.25Å; Q170-Q452 HydrophobicContact CG-CB 4.11Å; Q170-Q452 HydrophobicContact CG-CG 4.04Å; L448-Q452 VanDerWaalsContact O-CG 3.32Å; L448-Q452 WeakPolarHBondContact O-CG 3.49Å; L448-Q452 PolarHBondContact O-N 3.44Å; L448-Q452 PolarHBondContact O-NE2 3.11Å; G449-Q452 PolarHBondContact O-N 3.27Å; V450-Q452 PolarHBondContact O-N 2.83Å
453	H	98.8	Very high	98.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	B	Isolated β-bridge	trans	-52.5	147.1	-178.2	-172.8	-109.6	0	0	0	112	D73 V74 E119 S155 M156 V450 L451 D455 A456 V457	D73-H453 IonicContact OD1-CE1 3.51Å; D73-H453 PolarHBondContact OD1-CE1 3.38Å; D73-H453 VanDerWaalsContact OD1-CE1 3.25Å; D73-H453 IonicContact OD1-NE2 2.95Å; V74-H453 HydrophobicContact CG2-CB 3.4Å; V74-H453 VanDerWaalsContact CG2-CG 3.43Å; E119-H453 IonicContact OE1-CD2 3.47Å; E119-H453 PolarHBondContact OE1-CD2 3.49Å; E119-H453 IonicContact OE1-NE2 3.53Å; S155-H453 PolarHBondContact OG-N 2.83Å; M156-H453 WeakPolarHBondContact O-CA 3.2Å; M156-H453 PolarHBondContact O-CD2 2.53Å; V450-H453 WeakPolarHBondContact O-CB 3.45Å; V450-H453 PolarHBondContact O-N 3.25Å; V450-H453 VanDerWaalsContact O-N 3.07Å; L451-H453 PolarHBondContact O-N 3.18Å; H453-D455 IonicContact CE1-OD2 3.98Å; H453-D455 PolarHBondContact CE1-OD2 3.21Å; H453-D455 PolarHBondContact ND1-N 2.99Å; H453-D455 IonicContact ND1-OD2 3.56Å; H453-D455 PolarHBondContact O-N 3.37Å; H453-A456 HydrophobicContact CB-CB 4.08Å; H453-A456 PolarHBondContact O-N 2.95Å; H453-V457 PolarHBondContact O-N 2.79Å
454	H	98.4	Very high	98.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.7	-175.8	74.7	-82.2	0	0	0	115.1	H71 D73 M156 D158 D195 P196 F197 S458	H71-H454 AromaticContact CE1-CE1 3.64Å; H71-H454 AromaticContact NE2-CE1 3.51Å; D73-H454 IonicContact OD1-CE1 2.71Å; D73-H454 PolarHBondContact OD1-CE1 3.24Å; D73-H454 IonicContact OD1-NE2 3.25Å; M156-H454 PolarHBondContact O-N 3.19Å; D158-H454 HydrophobicContact CB-CB 4.27Å; D195-H454 WeakPolarHBondContact CB-NE2 3.48Å; D195-H454 PolarHBondContact O-CD2 3.17Å; D195-H454 VanDerWaalsContact O-CD2 3.28Å; D195-H454 IonicContact OD2-NE2 2.75Å; P196-H454 HydrophobicContact CB-CB 4.31Å; P196-H454 HydrophobicContact CG-CB 4.21Å; F197-H454 AromaticContact CE1-CD2 3.81Å; F197-H454 WeakPolarHBondContact CE2-O 3.27Å; F197-H454 AromaticContact CZ-CD2 3.52Å; H454-S458 WeakPolarHBondContact O-CB 3.39Å; H454-S458 PolarHBondContact O-OG 2.98Å
455	D	98.5	Very high	98.3	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.016	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-14.5	168.1	-70.9	-56.8	0	0	0	116	W76 H453 S458 T460 E461	W76-D455 HydrophobicContact CB-CB 4.2Å; W76-D455 VanDerWaalsContact CD1-CG 3.5Å; W76-D455 HydrophobicContact CG-CB 4.4Å; H453-D455 IonicContact CE1-OD2 3.98Å; H453-D455 PolarHBondContact CE1-OD2 3.21Å; H453-D455 PolarHBondContact ND1-N 2.99Å; H453-D455 IonicContact ND1-OD2 3.56Å; H453-D455 PolarHBondContact O-N 3.37Å; D455-S458 VanDerWaalsContact C-OG 3.31Å; D455-S458 WeakPolarHBondContact CA-OG 3.47Å; D455-S458 PolarHBondContact O-OG 3.24Å; D455-T460 WeakPolarHBondContact CA-OG1 3.48Å; D455-T460 PolarHBondContact O-N 2.98Å; D455-T460 PolarHBondContact OD1-OG1 2.93Å; D455-E461 PolarHBondContact O-N 3.34Å
456	A	98.7	Very high	98.3	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.008	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-65.4	-173.2	0	0	0	0	0	111.9	L451 H453 S458 G459 Y469	L451-A456 WeakPolarHBondContact O-CB 3.41Å; H453-A456 HydrophobicContact CB-CB 4.08Å; H453-A456 PolarHBondContact O-N 2.95Å; A456-S458 VanDerWaalsContact C-N 3.28Å; A456-S458 PolarHBondContact O-N 3.37Å; A456-G459 PolarHBondContact O-N 2.79Å; A456-G459 VanDerWaalsContact O-N 3.12Å; A456-Y469 HydrophobicContact CB-CD2 4Å; A456-Y469 HydrophobicContact CB-CE1 4.24Å; A456-Y469 HydrophobicContact CB-CE2 3.42Å; A456-Y469 VanDerWaalsContact CB-CE2 3.42Å
457	V	98.4	Very high	98.3	Very high	5 Å²	5	14 Å²	14	3%	0.03	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-24.7	-178.9	61.2	0	0	0	0	112.7	D158 T161 V162 K402 L451 H453 G459	D158-V457 HydrophobicContact CB-CG1 3.68Å; T161-V457 PolarHBondContact OG1-O 2.79Å; V162-V457 HydrophobicContact CG2-CB 4.48Å; V162-V457 HydrophobicContact CG2-CG1 3.45Å; V162-V457 VanDerWaalsContact CG2-CG1 3.45Å; V162-V457 HydrophobicContact CG2-CG2 4.5Å; K402-V457 WeakPolarHBondContact CE-O 3.15Å; K402-V457 VanDerWaalsContact CG-O 3.25Å; K402-V457 WeakPolarHBondContact CG-O 3.3Å; L451-V457 VanDerWaalsContact O-CB 3.25Å; L451-V457 WeakPolarHBondContact O-CB 3.38Å; L451-V457 PolarHBondContact O-N 2.96Å; L451-V457 VanDerWaalsContact O-N 3.17Å; H453-V457 PolarHBondContact O-N 2.79Å; V457-G459 VanDerWaalsContact C-N 3.26Å; V457-G459 PolarHBondContact O-N 3.16Å
458	S	97.9	Very high	98.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.3	171.5	59.5	0	0	0	0	112.6	T161 S397 K402 H454 D455 A456 T460	T161-S458 PolarHBondContact OG1-N 2.82Å; S397-S458 WeakPolarHBondContact CB-O 3.49Å; K402-S458 PolarHBondContact NZ-O 3.47Å; H454-S458 WeakPolarHBondContact O-CB 3.39Å; H454-S458 PolarHBondContact O-OG 2.98Å; D455-S458 VanDerWaalsContact C-OG 3.31Å; D455-S458 WeakPolarHBondContact CA-OG 3.47Å; D455-S458 PolarHBondContact O-OG 3.24Å; A456-S458 VanDerWaalsContact C-N 3.28Å; A456-S458 PolarHBondContact O-N 3.37Å; S458-T460 PolarHBondContact OG-N 3.06Å; S458-T460 PolarHBondContact OG-OG1 2.92Å
459	G	97.9	Very high	98.3	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.01	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	34.5	-175.1	0	0	0	0	0	113.8	A456 V457 E461	A456-G459 PolarHBondContact O-N 2.79Å; A456-G459 VanDerWaalsContact O-N 3.12Å; V457-G459 VanDerWaalsContact C-N 3.26Å; V457-G459 PolarHBondContact O-N 3.16Å; G459-E461 WeakPolarHBondContact CA-OE2 3.45Å
460	T	97.9	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.			trans	-107.8	22.6	-177	60.2	0	0	0	0	113.7	F197 Y394 D455 S458 Y751 V940	F197-T460 HydrophobicContact CE2-CG2 4.01Å; F197-T460 WeakPolarHBondContact CE2-OG1 3.47Å; Y394-T460 HydrophobicContact CG-CG2 4.37Å; D455-T460 WeakPolarHBondContact CA-OG1 3.48Å; D455-T460 PolarHBondContact O-N 2.98Å; D455-T460 PolarHBondContact OD1-OG1 2.93Å; S458-T460 PolarHBondContact OG-N 3.06Å; S458-T460 PolarHBondContact OG-OG1 2.92Å; T460-Y751 HydrophobicContact CG2-CD1 3.39Å; T460-Y751 HydrophobicContact CG2-CE1 3.35Å; T460-Y751 HydrophobicContact CG2-CG 4.19Å; T460-Y751 PolarHBondContact O-OH 2.63Å; T460-Y751 WeakPolarHBondContact OG1-CE1 3.32Å; T460-V940 WeakPolarHBondContact O-CG2 3.41Å
461	E	98.2	Very high	98.2	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.009	11%	0.106	C	C	.	.	S	Bend	trans	-97.4	163.3	174.5	79.9	-72.7	-154.8	0	0	112.5	R398 L401 D455 G459 V465 A466 Y469	R398-E461 WeakPolarHBondContact CD-OE1 3.27Å; R398-E461 VanDerWaalsContact CD-OE2 3.26Å; R398-E461 WeakPolarHBondContact CD-OE2 3.39Å; R398-E461 IonicContact CZ-OE2 3.47Å; R398-E461 IonicContact NE-OE1 3.62Å; R398-E461 IonicContact NE-OE2 3.99Å; R398-E461 PolarHBondContact NE-OE2 3.37Å; R398-E461 PolarHBondContact NH2-O 2.89Å; L401-E461 WeakPolarHBondContact CD2-OE1 3.03Å; D455-E461 PolarHBondContact O-N 3.34Å; G459-E461 WeakPolarHBondContact CA-OE2 3.45Å; E461-V465 HydrophobicContact CB-CB 4.02Å; E461-V465 HydrophobicContact CB-CG1 4.02Å; E461-V465 HydrophobicContact CG-CB 3.81Å; E461-V465 HydrophobicContact CG-CG1 3.94Å; E461-A466 HydrophobicContact CG-CB 4.05Å; E461-A466 VanDerWaalsContact OE1-CA 3.28Å; E461-A466 WeakPolarHBondContact OE1-CA 3.43Å; E461-A466 WeakPolarHBondContact OE1-CB 3.04Å; E461-Y469 HydrophobicContact CB-CE2 4.22Å; E461-Y469 HydrophobicContact CG-CD2 4.06Å; E461-Y469 HydrophobicContact CG-CE2 3.78Å
462	K	97.8	Very high	98.2	Very high	37 Å²	37	23.4 Å²	23.4	16%	0.161	11%	0.112	C	C	.	.			trans	-64.4	152.5	171.4	-75.8	-164.9	169.7	-174.2	0	112.1	W76 L77 H464 V465 A466 V940 E942	W76-K462 PolarHBondContact O-N 2.72Å; L77-K462 HydrophobicContact CD2-CG 4.35Å; K462-H464 VanDerWaalsContact C-N 3.27Å; K462-H464 PolarHBondContact O-N 2.79Å; K462-H464 VanDerWaalsContact O-N 3.14Å; K462-V465 HydrophobicContact CB-CG2 4.28Å; K462-V465 WeakPolarHBondContact O-CA 3.23Å; K462-V465 WeakPolarHBondContact O-CB 3.12Å; K462-V465 PolarHBondContact O-N 3.03Å; K462-A466 PolarHBondContact O-N 2.85Å; K462-V940 WeakPolarHBondContact CE-O 3.5Å; K462-V940 HydrophobicContact CG-CG1 4.13Å; K462-E942 VanDerWaalsContact CA-OE2 3.27Å; K462-E942 WeakPolarHBondContact CA-OE2 3.28Å; K462-E942 WeakPolarHBondContact CB-OE2 3.13Å; K462-E942 HydrophobicContact CG-CB 4.43Å; K462-E942 VanDerWaalsContact CG-OE2 3.31Å; K462-E942 WeakPolarHBondContact CG-OE2 3.24Å
463	Q	97.3	Very high	98.2	Very high	43 Å²	43	23.3 Å²	23.3	20%	0.201	11%	0.112	C	C	.	.	H	α-helix	trans	-57.3	-38.4	-175.6	-177	61.2	52.7	0	0	113.5	V465 A466 N467 E942	Q463-V465 VanDerWaalsContact C-N 3.25Å; Q463-V465 PolarHBondContact O-N 3.15Å; Q463-A466 WeakPolarHBondContact O-CB 3.32Å; Q463-A466 PolarHBondContact O-N 3.18Å; Q463-N467 PolarHBondContact NE2-OD1 3.4Å; Q463-N467 PolarHBondContact O-N 2.84Å; Q463-N467 PolarHBondContact O-OD1 3.28Å; Q463-E942 WeakPolarHBondContact CB-OE1 3.4Å; Q463-E942 PolarHBondContact N-OE1 3.09Å; Q463-E942 PolarHBondContact N-OE2 2.91Å
464	H	97.1	Very high	98.1	Very high	63 Å²	63	26 Å²	26	29%	0.292	13%	0.129	S	C	.	.	H	α-helix	trans	-68.7	-23.9	178.2	76.6	-75.1	0	0	0	113.3	L77 K462 D468	L77-H464 PolarHBondContact O-CE1 2.64Å; L77-H464 PolarHBondContact O-NE2 2.82Å; K462-H464 VanDerWaalsContact C-N 3.27Å; K462-H464 PolarHBondContact O-N 2.79Å; K462-H464 VanDerWaalsContact O-N 3.14Å; H464-D468 PolarHBondContact O-N 3.43Å
465	V	98.5	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-78.3	-41	173.3	-175.8	0	0	0	0	110.1	W76 K78 T79 E461 K462 Q463 N467 D468 Y469	W76-V465 WeakPolarHBondContact O-CG2 3.38Å; K78-V465 VanDerWaalsContact C-CG2 3.48Å; K78-V465 WeakPolarHBondContact O-CG2 3.4Å; T79-V465 HydrophobicContact CG2-CG2 4.47Å; E461-V465 HydrophobicContact CB-CB 4.02Å; E461-V465 HydrophobicContact CB-CG1 4.02Å; E461-V465 HydrophobicContact CG-CB 3.81Å; E461-V465 HydrophobicContact CG-CG1 3.94Å; K462-V465 HydrophobicContact CB-CG2 4.28Å; K462-V465 WeakPolarHBondContact O-CA 3.23Å; K462-V465 WeakPolarHBondContact O-CB 3.12Å; K462-V465 PolarHBondContact O-N 3.03Å; Q463-V465 VanDerWaalsContact C-N 3.25Å; Q463-V465 PolarHBondContact O-N 3.15Å; V465-N467 PolarHBondContact O-N 3.12Å; V465-D468 CarbonylContact O-C 3.52Å; V465-D468 WeakPolarHBondContact O-CA 3.4Å; V465-D468 WeakPolarHBondContact O-CB 3.09Å; V465-D468 PolarHBondContact O-N 3.21Å; V465-Y469 HydrophobicContact CG1-CD2 4.13Å; V465-Y469 HydrophobicContact CG1-CE1 4.33Å; V465-Y469 HydrophobicContact CG1-CE2 3.61Å; V465-Y469 PolarHBondContact O-N 3.04Å
466	A	98.3	Very high	98.1	Very high	8 Å²	8	32 Å²	32	7%	0.066	16%	0.155	C	C	.	.	H	α-helix	trans	-55.4	-40.9	171	0	0	0	0	0	111.7	E461 K462 Q463 Y469 A470	E461-A466 HydrophobicContact CG-CB 4.05Å; E461-A466 VanDerWaalsContact OE1-CA 3.28Å; E461-A466 WeakPolarHBondContact OE1-CA 3.43Å; E461-A466 WeakPolarHBondContact OE1-CB 3.04Å; K462-A466 PolarHBondContact O-N 2.85Å; Q463-A466 WeakPolarHBondContact O-CB 3.32Å; Q463-A466 PolarHBondContact O-N 3.18Å; A466-Y469 PolarHBondContact O-N 3.48Å; A466-A470 PolarHBondContact O-N 3.45Å
467	N	97.6	Very high	98.1	Very high	94 Å²	94	32.2 Å²	32.2	50%	0.503	16%	0.156	S	C	.	.	H	α-helix	trans	-64.6	-40.2	174.7	-64.8	-8.5	0	0	0	112.2	Q463 V465 W471	Q463-N467 PolarHBondContact NE2-OD1 3.4Å; Q463-N467 PolarHBondContact O-N 2.84Å; Q463-N467 PolarHBondContact O-OD1 3.28Å; V465-N467 PolarHBondContact O-N 3.12Å; N467-W471 VanDerWaalsContact O-CB 3.32Å; N467-W471 WeakPolarHBondContact O-CB 3.42Å; N467-W471 PolarHBondContact O-N 3.02Å
468	D	98.7	Very high	98.1	Very high	20 Å²	20	36.4 Å²	36.4	11%	0.107	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-42.2	174.4	176.8	75.4	0	0	0	111.3	T79 H464 V465 W471 R472	T79-D468 HydrophobicContact CG2-CB 3.64Å; H464-D468 PolarHBondContact O-N 3.43Å; V465-D468 CarbonylContact O-C 3.52Å; V465-D468 WeakPolarHBondContact O-CA 3.4Å; V465-D468 WeakPolarHBondContact O-CB 3.09Å; V465-D468 PolarHBondContact O-N 3.21Å; D468-W471 PolarHBondContact O-N 2.91Å; D468-R472 VanDerWaalsContact CG-NE 3.34Å; D468-R472 WeakPolarHBondContact O-CB 3.2Å; D468-R472 VanDerWaalsContact O-CG 3.27Å; D468-R472 WeakPolarHBondContact O-CG 3.49Å; D468-R472 PolarHBondContact O-N 3.1Å; D468-R472 IonicContact OD1-CZ 3.08Å; D468-R472 IonicContact OD1-NE 3.51Å; D468-R472 PolarHBondContact OD1-NE 2.86Å; D468-R472 IonicContact OD1-NH2 2.7Å; D468-R472 PolarHBondContact OD1-NH2 2.91Å; D468-R472 IonicContact OD2-CZ 3.61Å; D468-R472 IonicContact OD2-NE 3.62Å; D468-R472 PolarHBondContact OD2-NE 3.03Å; D468-R472 IonicContact OD2-NH2 3.41Å; D468-R472 PolarHBondContact OD2-NH2 2.92Å
469	Y	98.8	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-49.4	174.7	-68.9	-37.2	0	0	0	112.6	V74 G75 V80 L401 V450 L451 A456 E461 V465 A466 W471 R472 L473	V74-Y469 WeakPolarHBondContact O-CE1 3.34Å; V74-Y469 PolarHBondContact O-OH 3.03Å; G75-Y469 WeakPolarHBondContact CA-OH 3.42Å; G75-Y469 PolarHBondContact O-OH 2.92Å; V80-Y469 HydrophobicContact CG2-CE1 4.27Å; L401-Y469 HydrophobicContact CD2-CD2 4.46Å; V450-Y469 HydrophobicContact CG1-CD1 4.16Å; V450-Y469 HydrophobicContact CG1-CE1 3.69Å; L451-Y469 HydrophobicContact CD1-CD1 4.18Å; L451-Y469 HydrophobicContact CG-CD1 4.3Å; L451-Y469 HydrophobicContact CG-CG 4.3Å; A456-Y469 HydrophobicContact CB-CD2 4Å; A456-Y469 HydrophobicContact CB-CE1 4.24Å; A456-Y469 HydrophobicContact CB-CE2 3.42Å; A456-Y469 VanDerWaalsContact CB-CE2 3.42Å; E461-Y469 HydrophobicContact CB-CE2 4.22Å; E461-Y469 HydrophobicContact CG-CD2 4.06Å; E461-Y469 HydrophobicContact CG-CE2 3.78Å; V465-Y469 HydrophobicContact CG1-CD2 4.13Å; V465-Y469 HydrophobicContact CG1-CE1 4.33Å; V465-Y469 HydrophobicContact CG1-CE2 3.61Å; V465-Y469 PolarHBondContact O-N 3.04Å; A466-Y469 PolarHBondContact O-N 3.48Å; Y469-W471 VanDerWaalsContact C-N 3.32Å; Y469-W471 PolarHBondContact O-N 3.13Å; Y469-R472 PolarHBondContact O-N 3.45Å; Y469-L473 WeakPolarHBondContact O-CB 3.28Å; Y469-L473 PolarHBondContact O-N 3.34Å
470	A	98	Very high	97.9	Very high	33 Å²	33	38.9 Å²	38.9	27%	0.273	19%	0.187	S	C	.	.	H	α-helix	trans	-58.8	-45.2	176.9	0	0	0	0	0	111.2	A466 L473 T474	A466-A470 PolarHBondContact O-N 3.45Å; A470-L473 PolarHBondContact O-N 3.14Å; A470-T474 PolarHBondContact O-N 2.99Å; A470-T474 PolarHBondContact O-OG1 2.89Å; A470-T474 VanDerWaalsContact O-OG1 3.06Å
471	W	98.2	Very high	97.9	Very high	140 Å²	140	39.4 Å²	39.4	53%	0.53	19%	0.189	S	C	.	.	H	α-helix	trans	-61.2	-45.7	177.3	171.6	76.4	0	0	0	112.9	N467 D468 Y469 L473 T474 K475	N467-W471 VanDerWaalsContact O-CB 3.32Å; N467-W471 WeakPolarHBondContact O-CB 3.42Å; N467-W471 PolarHBondContact O-N 3.02Å; D468-W471 PolarHBondContact O-N 2.91Å; Y469-W471 VanDerWaalsContact C-N 3.32Å; Y469-W471 PolarHBondContact O-N 3.13Å; W471-L473 VanDerWaalsContact C-N 3.33Å; W471-L473 PolarHBondContact O-N 3.37Å; W471-T474 PolarHBondContact O-N 3.05Å; W471-K475 HydrophobicContact CH2-CD 4.47Å; W471-K475 HydrophobicContact CZ2-CD 4.21Å; W471-K475 WeakPolarHBondContact O-CB 3.39Å; W471-K475 PolarHBondContact O-N 3.43Å
472	R	98.4	Very high	97.7	Very high	40 Å²	40	42 Å²	42	15%	0.151	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-46.7	175.7	-73.6	175.2	-167.6	-75.1	-21.4	110.8	D81 T447 D468 Y469 T474 K475 A476	D81-R472 IonicContact OD2-CZ 3.8Å; D81-R472 IonicContact OD2-NH1 2.99Å; D81-R472 PolarHBondContact OD2-NH1 3.07Å; D81-R472 IonicContact OD2-NH2 3.72Å; D81-R472 PolarHBondContact OD2-NH2 3.42Å; T447-R472 HydrophobicContact CG2-CB 3.85Å; D468-R472 VanDerWaalsContact CG-NE 3.34Å; D468-R472 WeakPolarHBondContact O-CB 3.2Å; D468-R472 VanDerWaalsContact O-CG 3.27Å; D468-R472 WeakPolarHBondContact O-CG 3.49Å; D468-R472 PolarHBondContact O-N 3.1Å; D468-R472 IonicContact OD1-CZ 3.08Å; D468-R472 IonicContact OD1-NE 3.51Å; D468-R472 PolarHBondContact OD1-NE 2.86Å; D468-R472 IonicContact OD1-NH2 2.7Å; D468-R472 PolarHBondContact OD1-NH2 2.91Å; D468-R472 IonicContact OD2-CZ 3.61Å; D468-R472 IonicContact OD2-NE 3.62Å; D468-R472 PolarHBondContact OD2-NE 3.03Å; D468-R472 IonicContact OD2-NH2 3.41Å; D468-R472 PolarHBondContact OD2-NH2 2.92Å; Y469-R472 PolarHBondContact O-N 3.45Å; R472-T474 PolarHBondContact O-N 3.37Å; R472-K475 PolarHBondContact O-N 3.41Å; R472-A476 WeakPolarHBondContact O-CB 3.32Å; R472-A476 PolarHBondContact O-N 2.99Å
473	L	98.3	Very high	97.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-45.5	-178.7	-164.9	62.7	0	0	0	110.7	Y404 A408 L444 T447 L448 L451 Y469 A470 W471 K475 A476 S477	Y404-L473 HydrophobicContact CD1-CB 4.37Å; Y404-L473 HydrophobicContact CD1-CD2 3.54Å; Y404-L473 HydrophobicContact CD1-CG 4.3Å; Y404-L473 HydrophobicContact CD2-CD2 3.82Å; Y404-L473 HydrophobicContact CE1-CB 3.85Å; Y404-L473 HydrophobicContact CE1-CD2 3.74Å; Y404-L473 HydrophobicContact CE1-CG 3.97Å; Y404-L473 HydrophobicContact CE2-CD2 4Å; Y404-L473 HydrophobicContact CE2-CG 4.25Å; Y404-L473 HydrophobicContact CG-CD2 3.57Å; A408-L473 HydrophobicContact CB-CD1 3.53Å; A408-L473 HydrophobicContact CB-CD2 3.77Å; A408-L473 HydrophobicContact CB-CG 3.8Å; L444-L473 HydrophobicContact CD1-CD1 4.09Å; T447-L473 HydrophobicContact CG2-CB 4.39Å; T447-L473 HydrophobicContact CG2-CD1 4.02Å; L448-L473 HydrophobicContact CD2-CD1 4.03Å; L448-L473 HydrophobicContact CG-CD1 4.23Å; L451-L473 HydrophobicContact CD2-CB 4.24Å; L451-L473 HydrophobicContact CD2-CD1 4.38Å; L451-L473 HydrophobicContact CD2-CD2 3.87Å; L451-L473 HydrophobicContact CD2-CG 4.4Å; Y469-L473 WeakPolarHBondContact O-CB 3.28Å; Y469-L473 PolarHBondContact O-N 3.34Å; A470-L473 PolarHBondContact O-N 3.14Å; W471-L473 VanDerWaalsContact C-N 3.33Å; W471-L473 PolarHBondContact O-N 3.37Å; L473-K475 PolarHBondContact O-N 3.48Å; L473-A476 PolarHBondContact O-N 3.36Å; L473-S477 VanDerWaalsContact O-CB 3.32Å; L473-S477 WeakPolarHBondContact O-CB 3.42Å; L473-S477 PolarHBondContact O-N 3.38Å; L473-S477 PolarHBondContact O-OG 3.4Å
474	T	98.1	Very high	97.3	Very high	57 Å²	57	38.2 Å²	38.2	35%	0.35	19%	0.19	S	C	.	.	H	α-helix	trans	-58.6	-49.8	174.8	-56.3	0	0	0	0	112.2	Y404 A470 W471 R472 A476 S477 K478	Y404-T474 WeakPolarHBondContact OH-CA 3.31Å; Y404-T474 WeakPolarHBondContact OH-CB 3.35Å; Y404-T474 PolarHBondContact OH-N 3.15Å; Y404-T474 VanDerWaalsContact OH-N 3.16Å; Y404-T474 PolarHBondContact OH-OG1 3.32Å; A470-T474 PolarHBondContact O-N 2.99Å; A470-T474 PolarHBondContact O-OG1 2.89Å; A470-T474 VanDerWaalsContact O-OG1 3.06Å; W471-T474 PolarHBondContact O-N 3.05Å; R472-T474 PolarHBondContact O-N 3.37Å; T474-A476 VanDerWaalsContact C-N 3.3Å; T474-A476 PolarHBondContact O-N 2.86Å; T474-S477 PolarHBondContact O-N 2.94Å; T474-K478 WeakPolarHBondContact O-CG 3.25Å; T474-K478 PolarHBondContact O-N 2.69Å
475	K	98.2	Very high	97.2	Very high	128 Å²	128	36.1 Å²	36.1	56%	0.557	18%	0.183	S	C	*	.	H	α-helix	trans	-57.6	-44.8	179.2	-176.1	179	177.2	-178.5	0	111.4	W471 R472 L473	W471-K475 HydrophobicContact CH2-CD 4.47Å; W471-K475 HydrophobicContact CZ2-CD 4.21Å; W471-K475 WeakPolarHBondContact O-CB 3.39Å; W471-K475 PolarHBondContact O-N 3.43Å; R472-K475 PolarHBondContact O-N 3.41Å; L473-K475 PolarHBondContact O-N 3.48Å
476	A	98.4	Very high	96.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-71.6	-41.5	-179.1	0	0	0	0	0	112.8	T443 L444 T447 R472 L473 T474 K478 L479 C480	T443-A476 HydrophobicContact CG2-CB 4.03Å; L444-A476 HydrophobicContact CB-CB 4.27Å; L444-A476 HydrophobicContact CD1-CB 3.95Å; T447-A476 HydrophobicContact CG2-CB 4.07Å; T447-A476 WeakPolarHBondContact OG1-CB 3.37Å; R472-A476 WeakPolarHBondContact O-CB 3.32Å; R472-A476 PolarHBondContact O-N 2.99Å; L473-A476 PolarHBondContact O-N 3.36Å; T474-A476 VanDerWaalsContact C-N 3.3Å; T474-A476 PolarHBondContact O-N 2.86Å; A476-K478 VanDerWaalsContact C-N 3.32Å; A476-K478 PolarHBondContact O-N 3.12Å; A476-L479 WeakPolarHBondContact O-CB 3.42Å; A476-L479 PolarHBondContact O-N 2.68Å; A476-C480 PolarHBondContact O-N 3.42Å
477	S	98.4	Very high	96.3	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.028	21%	0.206	C	C	.	.	H	α-helix	trans	-59.2	-42	175	-66.7	0	0	0	0	111.6	L473 T474 L479 C480 Q481	L473-S477 VanDerWaalsContact O-CB 3.32Å; L473-S477 WeakPolarHBondContact O-CB 3.42Å; L473-S477 PolarHBondContact O-N 3.38Å; L473-S477 PolarHBondContact O-OG 3.4Å; T474-S477 PolarHBondContact O-N 2.94Å; S477-L479 VanDerWaalsContact C-N 3.26Å; S477-L479 PolarHBondContact O-N 2.99Å; S477-C480 PolarHBondContact O-N 3.36Å; S477-Q481 WeakPolarHBondContact O-CG 3.15Å; S477-Q481 PolarHBondContact O-N 3.31Å
478	K	97.7	Very high	96.1	Very high	93 Å²	93	37 Å²	37	40%	0.404	18%	0.183	S	C	.	.	H	α-helix	trans	-61	-31.3	177.2	-71.7	-44.6	-166.2	-170.8	0	113.5	T474 A476 S482 D508	T474-K478 WeakPolarHBondContact O-CG 3.25Å; T474-K478 PolarHBondContact O-N 2.69Å; A476-K478 VanDerWaalsContact C-N 3.32Å; A476-K478 PolarHBondContact O-N 3.12Å; K478-S482 WeakPolarHBondContact O-CB 3.45Å; K478-S482 PolarHBondContact O-N 3.47Å; K478-D508 IonicContact NZ-OD2 3.66Å; K478-D508 PolarHBondContact NZ-OD2 2.05Å
479	L	96.7	Very high	95.5	Very high	54 Å²	54	36.9 Å²	36.9	28%	0.283	18%	0.182	S	C	.	.	H	α-helix	trans	-67.9	-44.2	175.1	-61.9	177.4	0	0	0	111.5	L440 T443 A476 S477 S482 L483	L440-L479 HydrophobicContact CD2-CB 4.33Å; L440-L479 HydrophobicContact CD2-CD1 4.35Å; L440-L479 HydrophobicContact CD2-CD2 4.07Å; L440-L479 HydrophobicContact CD2-CG 4.47Å; T443-L479 HydrophobicContact CG2-CD1 3.73Å; A476-L479 WeakPolarHBondContact O-CB 3.42Å; A476-L479 PolarHBondContact O-N 2.68Å; S477-L479 VanDerWaalsContact C-N 3.26Å; S477-L479 PolarHBondContact O-N 2.99Å; L479-S482 WeakPolarHBondContact O-CB 3.31Å; L479-S482 PolarHBondContact O-N 3.3Å; L479-L483 PolarHBondContact O-N 3.41Å
480	C	96.1	Very high	95	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-41.3	174.2	-101.7	0	0	0	0	112.3	C415 L444 A476 S477 S482 L483 I484	C415-C480 HydrophobicContact CB-CB 3.77Å; C415-C480 WeakPolarHBondContact CB-SG 2.98Å; C415-C480 WeakPolarHBondContact SG-CA 3.41Å; C415-C480 WeakPolarHBondContact SG-CB 3.24Å; C415-C480 CovalentContact SG-SG 2.05Å; C415-C480 PolarHBondContact SG-SG 3.47Å; L444-C480 HydrophobicContact CD2-CB 3.91Å; A476-C480 PolarHBondContact O-N 3.42Å; S477-C480 PolarHBondContact O-N 3.36Å; C480-S482 VanDerWaalsContact C-N 3.34Å; C480-S482 PolarHBondContact O-N 2.93Å; C480-L483 PolarHBondContact O-N 3.25Å; C480-I484 WeakPolarHBondContact O-CD1 2.84Å; C480-I484 VanDerWaalsContact O-CG1 3.3Å; C480-I484 WeakPolarHBondContact O-CG1 3.15Å; C480-I484 PolarHBondContact O-N 2.81Å
481	Q	96.6	Very high	94.7	Very high	11 Å²	11	40.5 Å²	40.5	5%	0.051	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-46.8	173.2	-71.2	179.6	5.5	0	0	111.2	L411 S477 L483 I484 S485 F506 D508	L411-Q481 HydrophobicContact CD1-CG 4.32Å; L411-Q481 HydrophobicContact CD2-CG 4.07Å; S477-Q481 WeakPolarHBondContact O-CG 3.15Å; S477-Q481 PolarHBondContact O-N 3.31Å; Q481-L483 VanDerWaalsContact C-N 3.34Å; Q481-L483 PolarHBondContact O-N 3.49Å; Q481-I484 PolarHBondContact O-N 2.93Å; Q481-S485 WeakPolarHBondContact O-CB 3.5Å; Q481-S485 PolarHBondContact O-N 3.16Å; Q481-S485 PolarHBondContact O-OG 3.44Å; Q481-F506 HydrophobicContact CB-CD2 3.64Å; Q481-F506 HydrophobicContact CB-CE1 4.44Å; Q481-F506 HydrophobicContact CB-CE2 3.49Å; Q481-F506 VanDerWaalsContact CB-CE2 3.49Å; Q481-F506 HydrophobicContact CB-CG 4.19Å; Q481-F506 HydrophobicContact CB-CZ 3.91Å; Q481-F506 HydrophobicContact CG-CB 4.28Å; Q481-F506 HydrophobicContact CG-CD1 3.77Å; Q481-F506 HydrophobicContact CG-CD2 3.62Å; Q481-F506 HydrophobicContact CG-CE1 3.87Å; Q481-F506 HydrophobicContact CG-CE2 3.75Å; Q481-F506 HydrophobicContact CG-CG 3.62Å; Q481-F506 HydrophobicContact CG-CZ 3.85Å; Q481-D508 PolarHBondContact NE2-OD1 3Å; Q481-D508 PolarHBondContact NE2-OD2 2.95Å
482	S	94.1	Very high	94.3	Very high	55 Å²	55	33.9 Å²	33.9	39%	0.385	17%	0.167	S	C	.	.	H	α-helix	trans	-59.2	-43.4	176.5	-177.4	0	0	0	0	112.4	K478 L479 C480 S485 Q486	K478-S482 WeakPolarHBondContact O-CB 3.45Å; K478-S482 PolarHBondContact O-N 3.47Å; L479-S482 WeakPolarHBondContact O-CB 3.31Å; L479-S482 PolarHBondContact O-N 3.3Å; C480-S482 VanDerWaalsContact C-N 3.34Å; C480-S482 PolarHBondContact O-N 2.93Å; S482-S485 PolarHBondContact O-N 3.07Å; S482-Q486 VanDerWaalsContact O-CG 3.29Å; S482-Q486 WeakPolarHBondContact O-CG 3.09Å; S482-Q486 PolarHBondContact O-N 3.47Å; S482-Q486 PolarHBondContact OG-NE2 3.2Å; S482-Q486 VanDerWaalsContact OG-NE2 3.15Å
483	L	92.5	Very high	93.9	Very high	2 Å²	2	36 Å²	36	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-46.8	176.6	-176.4	66.6	0	0	0	111.5	H419 T437 I441 L479 C480 Q481 S485 Q486 S487	H419-L483 HydrophobicContact CB-CD2 4.04Å; T437-L483 HydrophobicContact CG2-CD1 3.87Å; I441-L483 HydrophobicContact CD1-CD2 3.47Å; I441-L483 VanDerWaalsContact CD1-CD2 3.47Å; I441-L483 HydrophobicContact CG1-CD2 3.37Å; L479-L483 PolarHBondContact O-N 3.41Å; C480-L483 PolarHBondContact O-N 3.25Å; Q481-L483 VanDerWaalsContact C-N 3.34Å; Q481-L483 PolarHBondContact O-N 3.49Å; L483-S485 VanDerWaalsContact C-N 3.33Å; L483-S485 PolarHBondContact O-N 3.27Å; L483-Q486 PolarHBondContact O-N 3.28Å; L483-S487 VanDerWaalsContact O-CB 3.3Å; L483-S487 WeakPolarHBondContact O-CB 3.44Å; L483-S487 PolarHBondContact O-N 2.68Å; L483-S487 PolarHBondContact O-OG 2.79Å
484	I	95	Very high	93.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-45.8	175.8	-68.8	160.1	0	0	0	110.3	L411 M414 C415 C480 Q481 Q486 S487 L488 F506 L988	L411-I484 HydrophobicContact CD1-CD1 3.75Å; M414-I484 HydrophobicContact CE-CD1 4.14Å; M414-I484 HydrophobicContact CE-CG1 4.38Å; M414-I484 HydrophobicContact CE-CG2 3.48Å; M414-I484 VanDerWaalsContact CE-CG2 3.48Å; M414-I484 HydrophobicContact CG-CD1 3.9Å; M414-I484 HydrophobicContact SD-CD1 3.86Å; C415-I484 HydrophobicContact CB-CD1 4.08Å; C415-I484 HydrophobicContact CB-CG1 4.49Å; C480-I484 WeakPolarHBondContact O-CD1 2.84Å; C480-I484 VanDerWaalsContact O-CG1 3.3Å; C480-I484 WeakPolarHBondContact O-CG1 3.15Å; C480-I484 PolarHBondContact O-N 2.81Å; Q481-I484 PolarHBondContact O-N 2.93Å; I484-Q486 VanDerWaalsContact C-N 3.32Å; I484-Q486 PolarHBondContact O-N 3.21Å; I484-S487 CarbonylContact O-C 3.48Å; I484-S487 PolarHBondContact O-N 2.68Å; I484-S487 VanDerWaalsContact O-N 3.08Å; I484-L488 WeakPolarHBondContact O-CB 3.29Å; I484-L488 PolarHBondContact O-N 2.76Å; I484-F506 HydrophobicContact CB-CZ 3.95Å; I484-F506 HydrophobicContact CD1-CE1 4.39Å; I484-F506 HydrophobicContact CD1-CZ 4.14Å; I484-F506 HydrophobicContact CG2-CZ 3.75Å; I484-L988 HydrophobicContact CG2-CD2 3.92Å
485	S	93.9	Very high	92.8	Very high	19 Å²	19	35.8 Å²	35.8	13%	0.133	19%	0.185	C	C	.	.	H	α-helix	trans	-57.7	-42.6	178.8	-61	0	0	0	0	112.6	Q481 S482 L483 S487 V504	Q481-S485 WeakPolarHBondContact O-CB 3.5Å; Q481-S485 PolarHBondContact O-N 3.16Å; Q481-S485 PolarHBondContact O-OG 3.44Å; S482-S485 PolarHBondContact O-N 3.07Å; L483-S485 VanDerWaalsContact C-N 3.33Å; L483-S485 PolarHBondContact O-N 3.27Å; S485-S487 VanDerWaalsContact C-N 3.3Å; S485-S487 PolarHBondContact O-N 2.82Å; S485-V504 WeakPolarHBondContact OG-CB 3.42Å
486	Q	89.6	Confident	92.4	Very high	119 Å²	119	36.3 Å²	36.3	56%	0.556	19%	0.187	S	C	*	.	H	α-helix	trans	-69.5	-29.4	177.9	-68.6	171.8	39.9	0	0	112.7	S482 L483 I484	S482-Q486 VanDerWaalsContact O-CG 3.29Å; S482-Q486 WeakPolarHBondContact O-CG 3.09Å; S482-Q486 PolarHBondContact O-N 3.47Å; S482-Q486 PolarHBondContact OG-NE2 3.2Å; S482-Q486 VanDerWaalsContact OG-NE2 3.15Å; L483-Q486 PolarHBondContact O-N 3.28Å; I484-Q486 VanDerWaalsContact C-N 3.32Å; I484-Q486 PolarHBondContact O-N 3.21Å
487	S	90.3	Very high	92	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-89.7	-29.3	-175.7	-73.7	0	0	0	0	113.3	V422 L483 I484 S485 I489 K490 L491	V422-S487 VanDerWaalsContact CG1-OG 3.3Å; V422-S487 WeakPolarHBondContact CG1-OG 3.32Å; L483-S487 VanDerWaalsContact O-CB 3.3Å; L483-S487 WeakPolarHBondContact O-CB 3.44Å; L483-S487 PolarHBondContact O-N 2.68Å; L483-S487 PolarHBondContact O-OG 2.79Å; I484-S487 CarbonylContact O-C 3.48Å; I484-S487 PolarHBondContact O-N 2.68Å; I484-S487 VanDerWaalsContact O-N 3.08Å; S485-S487 VanDerWaalsContact C-N 3.3Å; S485-S487 PolarHBondContact O-N 2.82Å; S487-I489 PolarHBondContact O-N 3.02Å; S487-K490 WeakPolarHBondContact O-CB 3.46Å; S487-K490 PolarHBondContact O-N 2.99Å; S487-L491 PolarHBondContact O-N 3.48Å
488	L	91.5	Very high	91.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-45.2	-171.7	-170.3	64.3	0	0	0	113.4	I484 K490 L491 L492 V504 I536 F642 I990	I484-L488 WeakPolarHBondContact O-CB 3.29Å; I484-L488 PolarHBondContact O-N 2.76Å; L488-K490 PolarHBondContact O-N 3.16Å; L488-L491 PolarHBondContact O-N 2.95Å; L488-L491 VanDerWaalsContact O-N 3.07Å; L488-L492 HydrophobicContact CD1-CD1 3.84Å; L488-L492 HydrophobicContact CG-CD1 4.19Å; L488-L492 PolarHBondContact O-N 3.17Å; L488-V504 HydrophobicContact CB-CG2 4.24Å; L488-V504 HydrophobicContact CD2-CB 4.39Å; L488-V504 HydrophobicContact CD2-CG1 3.94Å; L488-V504 HydrophobicContact CD2-CG2 3.51Å; L488-V504 HydrophobicContact CG-CG2 4.49Å; L488-I536 HydrophobicContact CD2-CD1 3.69Å; L488-F642 HydrophobicContact CD1-CD1 3.74Å; L488-F642 HydrophobicContact CD1-CD2 3.96Å; L488-F642 HydrophobicContact CD1-CE1 3.39Å; L488-F642 HydrophobicContact CD1-CE2 3.7Å; L488-F642 HydrophobicContact CD1-CG 3.99Å; L488-F642 HydrophobicContact CD1-CZ 3.4Å; L488-I990 HydrophobicContact CD2-CD1 4.22Å
489	I	87.4	Confident	91.3	Very high	18 Å²	18	37.4 Å²	37.4	9%	0.092	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-24.1	-179.2	-62.2	-58.6	0	0	0	112.4	S487 L492 P493 I499 N502 I990	S487-I489 PolarHBondContact O-N 3.02Å; I489-L492 CarbonylContact O-C 3.56Å; I489-L492 VanDerWaalsContact O-C 3.31Å; I489-P493 VanDerWaalsContact O-CA 3.28Å; I489-P493 WeakPolarHBondContact O-CA 3.47Å; I489-P493 VanDerWaalsContact O-N 3.17Å; I489-I499 HydrophobicContact CD1-CD1 3.44Å; I489-I499 VanDerWaalsContact CD1-CD1 3.44Å; I489-I499 HydrophobicContact CG1-CD1 4.31Å; I489-N502 HydrophobicContact CG1-CB 4.11Å; I489-I990 HydrophobicContact CD1-CD1 4.16Å
490	K	88.7	Confident	90.5	Very high	90 Å²	90	41.2 Å²	41.2	39%	0.391	22%	0.217	S	C	.	.	H	α-helix	trans	-72.5	-33.5	172.9	-59.7	173.7	-170.3	162.9	0	111.5	V422 S487 L488	V422-K490 HydrophobicContact CG1-CD 3.52Å; S487-K490 WeakPolarHBondContact O-CB 3.46Å; S487-K490 PolarHBondContact O-N 2.99Å; L488-K490 PolarHBondContact O-N 3.16Å
491	L	90.9	Very high	90	Very high	18 Å²	18	48.5 Å²	48.5	9%	0.094	25%	0.248	C	C	.	.	H	α-helix	trans	-79.5	-28.3	176	-62.3	179.3	0	0	0	112.4	V418 V422 S487 L488 P493 F642 W1004	V418-L491 HydrophobicContact CG1-CD1 4.14Å; V422-L491 HydrophobicContact CG2-CD1 3.79Å; V422-L491 HydrophobicContact CG2-CD2 3.49Å; V422-L491 VanDerWaalsContact CG2-CD2 3.49Å; V422-L491 HydrophobicContact CG2-CG 3.53Å; S487-L491 PolarHBondContact O-N 3.48Å; L488-L491 PolarHBondContact O-N 2.95Å; L488-L491 VanDerWaalsContact O-N 3.07Å; L491-P493 WeakPolarHBondContact O-CD 3.27Å; L491-F642 HydrophobicContact CD1-CD2 4.45Å; L491-F642 HydrophobicContact CD1-CE2 3.75Å; L491-W1004 HydrophobicContact CB-CD2 4.32Å; L491-W1004 HydrophobicContact CB-CG 4.2Å; L491-W1004 HydrophobicContact CD1-CD2 4.26Å; L491-W1004 HydrophobicContact CD1-CE3 4.23Å; L491-W1004 HydrophobicContact CD1-CH2 4.15Å; L491-W1004 HydrophobicContact CD1-CZ2 4.21Å; L491-W1004 HydrophobicContact CD1-CZ3 4.17Å; L491-W1004 HydrophobicContact CD2-CD2 4.3Å; L491-W1004 HydrophobicContact CD2-CZ2 3.84Å
492	L	90.8	Very high	89.5	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.27	C	S	.	.			trans	-123.4	60.4	-179.4	-58.7	173.8	0	0	0	111.5	L488 I489 T494 L495 I536 F642 L644 W1004	L488-L492 HydrophobicContact CD1-CD1 3.84Å; L488-L492 HydrophobicContact CG-CD1 4.19Å; L488-L492 PolarHBondContact O-N 3.17Å; I489-L492 CarbonylContact O-C 3.56Å; I489-L492 VanDerWaalsContact O-C 3.31Å; L492-T494 PolarHBondContact O-N 2.73Å; L492-T494 VanDerWaalsContact O-N 3.14Å; L492-L495 HydrophobicContact CB-CD1 3.85Å; L492-L495 HydrophobicContact CB-CG 4.33Å; L492-L495 HydrophobicContact CD1-CD1 3.94Å; L492-L495 PolarHBondContact O-N 2.9Å; L492-L495 VanDerWaalsContact O-N 3.14Å; L492-I536 HydrophobicContact CD1-CG2 4.25Å; L492-F642 HydrophobicContact CD1-CB 3.89Å; L492-F642 HydrophobicContact CD1-CD2 4.49Å; L492-F642 HydrophobicContact CD1-CG 4.16Å; L492-F642 HydrophobicContact CD2-CB 4.36Å; L492-L644 HydrophobicContact CD1-CD1 4.32Å; L492-L644 HydrophobicContact CD1-CD2 3.91Å; L492-L644 HydrophobicContact CD1-CG 4.44Å; L492-L644 HydrophobicContact CD2-CD1 4.23Å; L492-W1004 HydrophobicContact CD2-CB 3.71Å
493	P	88.2	Confident	89.2	Confident	84 Å²	84	54.7 Å²	54.7	55%	0.545	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-63.3	-23.9	-174.7	26.3	-35.4	0	0	0	113.2	I489 L491 L495 K496	I489-P493 VanDerWaalsContact O-CA 3.28Å; I489-P493 WeakPolarHBondContact O-CA 3.47Å; I489-P493 VanDerWaalsContact O-N 3.17Å; L491-P493 WeakPolarHBondContact O-CD 3.27Å; P493-L495 PolarHBondContact O-N 3Å; P493-K496 WeakPolarHBondContact O-CB 3.43Å; P493-K496 PolarHBondContact O-N 3.34Å
494	T	86.5	Confident	89.3	Confident	53 Å²	53	54.9 Å²	54.9	33%	0.325	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-66.6	-19.4	177.9	49.4	0	0	0	0	114.2	L492 K496 P497 Q1000	L492-T494 PolarHBondContact O-N 2.73Å; L492-T494 VanDerWaalsContact O-N 3.14Å; T494-K496 VanDerWaalsContact C-N 3.35Å; T494-P497 WeakPolarHBondContact O-CD 3.26Å; T494-Q1000 WeakPolarHBondContact CB-O 3.31Å; T494-Q1000 WeakPolarHBondContact CG2-O 3.46Å
495	L	88.5	Confident	89.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-74.8	-24.8	175.2	-79.2	172.9	0	0	0	113.1	L492 P493 P497 F498 I499 F534 I536 L644 V1001	L492-L495 HydrophobicContact CB-CD1 3.85Å; L492-L495 HydrophobicContact CB-CG 4.33Å; L492-L495 HydrophobicContact CD1-CD1 3.94Å; L492-L495 PolarHBondContact O-N 2.9Å; L492-L495 VanDerWaalsContact O-N 3.14Å; P493-L495 PolarHBondContact O-N 3Å; L495-P497 VanDerWaalsContact C-N 3.34Å; L495-F498 PolarHBondContact O-N 3.43Å; L495-I499 PolarHBondContact O-N 3.48Å; L495-F534 HydrophobicContact CD2-CD1 4.23Å; L495-F534 HydrophobicContact CD2-CD2 4.4Å; L495-F534 HydrophobicContact CD2-CE1 4.31Å; L495-F534 HydrophobicContact CD2-CE2 4.46Å; L495-F534 HydrophobicContact CD2-CG 4.28Å; L495-F534 HydrophobicContact CD2-CZ 4.43Å; L495-I536 HydrophobicContact CD1-CD1 4.02Å; L495-L644 HydrophobicContact CD1-CD1 4.17Å; L495-L644 HydrophobicContact CD1-CD2 3.88Å; L495-L644 HydrophobicContact CD2-CD1 4.22Å; L495-L644 HydrophobicContact CG-CD1 4.13Å; L495-V1001 HydrophobicContact CD2-CG1 3.52Å; L495-V1001 HydrophobicContact CG-CG1 3.75Å
496	K	89.3	Confident	89.5	Confident	139 Å²	139	56.3 Å²	56.3	60%	0.604	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-52.3	-39.6	-170.7	-170	177.3	179.9	-177.4	0	114.7	P493 T494 F498	P493-K496 WeakPolarHBondContact O-CB 3.43Å; P493-K496 PolarHBondContact O-N 3.34Å; T494-K496 VanDerWaalsContact C-N 3.35Å; K496-F498 PolarHBondContact O-N 3.35Å
497	P	89.9	Confident	89.8	Confident	86 Å²	86	51.3 Å²	51.3	56%	0.558	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-67.3	-20.5	177.7	-21.2	35.1	0	0	0	114.6	T494 L495	T494-P497 WeakPolarHBondContact O-CD 3.26Å; L495-P497 VanDerWaalsContact C-N 3.34Å
498	F	90.7	Very high	90	Very high	22 Å²	22	54 Å²	54	10%	0.096	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-105.3	-3.6	-170	-56.5	-78.2	0	0	0	114.1	L495 K496 F534 K993 Y994 P996 Q1000 V1001	L495-F498 PolarHBondContact O-N 3.43Å; K496-F498 PolarHBondContact O-N 3.35Å; F498-F534 HydrophobicContact CB-CE2 3.91Å; F498-F534 HydrophobicContact CB-CZ 3.65Å; F498-K993 VanDerWaalsContact O-CB 3.31Å; F498-K993 WeakPolarHBondContact O-CB 3.37Å; F498-K993 PolarHBondContact O-N 3.44Å; F498-Y994 PolarHBondContact O-N 3.44Å; F498-P996 HydrophobicContact CD1-CB 4.25Å; F498-P996 HydrophobicContact CD1-CG 4.01Å; F498-P996 HydrophobicContact CD2-CG 4.32Å; F498-P996 HydrophobicContact CE1-CB 3.97Å; F498-P996 HydrophobicContact CE1-CG 4.24Å; F498-P996 HydrophobicContact CE2-CB 4.42Å; F498-P996 HydrophobicContact CG-CG 4.06Å; F498-P996 HydrophobicContact CZ-CB 4.05Å; F498-P996 HydrophobicContact CZ-CG 4.48Å; F498-Q1000 HydrophobicContact CE2-CB 4.3Å; F498-Q1000 HydrophobicContact CZ-CB 4.31Å; F498-V1001 HydrophobicContact CD2-CG2 3.89Å; F498-V1001 HydrophobicContact CE2-CG2 3.64Å; F498-V1001 HydrophobicContact CZ-CG2 4.47Å
499	I	90.7	Very high	90.2	Very high	13 Å²	13	58.2 Å²	58.2	7%	0.067	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-112.5	147.7	-178.1	62.2	177.7	0	0	0	110.3	I489 L495 N502 F534 I990	I489-I499 HydrophobicContact CD1-CD1 3.44Å; I489-I499 VanDerWaalsContact CD1-CD1 3.44Å; I489-I499 HydrophobicContact CG1-CD1 4.31Å; L495-I499 PolarHBondContact O-N 3.48Å; I499-N502 WeakPolarHBondContact CD1-OD1 3.27Å; I499-F534 HydrophobicContact CG2-CD2 3.73Å; I499-F534 HydrophobicContact CG2-CE2 3.68Å; I499-I990 HydrophobicContact CB-CG2 3.99Å; I499-I990 HydrophobicContact CG2-CB 4.4Å; I499-I990 HydrophobicContact CG2-CG2 3.62Å
500	E	80.4	Confident	90.5	Very high	134 Å²	134	59.3 Å²	59.3	63%	0.626	30%	0.304	S	S	*	.	S	Bend	trans	-79.6	-43	176.9	-63.3	-170.3	160.6	0	0	112.4	K993	E500-K993 HydrophobicContact CG-CB 3.76Å; E500-K993 HydrophobicContact CG-CD 4.34Å; E500-K993 HydrophobicContact CG-CG 3.93Å
501	K	85.9	Confident	90.8	Very high	154 Å²	154	57.2 Å²	57.2	67%	0.67	30%	0.297	S	S	*	.	S	Bend	trans	-139.6	148.6	-176.3	-63.7	-179.8	-175.8	173.8	0	108.9	N503	K501-N503 HydrophobicContact CB-CB 4.4Å; K501-N503 PolarHBondContact O-N 2.78Å
502	N	84.7	Confident	91	Very high	94 Å²	94	57.3 Å²	57.3	50%	0.503	30%	0.297	S	S	.	.			trans	-77	53.6	172.5	-63.5	-7.1	0	0	0	110.7	I489 I499	I489-N502 HydrophobicContact CG1-CB 4.11Å; I499-N502 WeakPolarHBondContact CD1-OD1 3.27Å
503	N	88.6	Confident	91.2	Very high	101 Å²	101	57.3 Å²	57.3	54%	0.54	30%	0.297	S	S	.	.			trans	-109.7	98.8	-180	-170.4	35.3	0	0	0	109.6	K501	K501-N503 HydrophobicContact CB-CB 4.4Å; K501-N503 PolarHBondContact O-N 2.78Å
504	V	95	Very high	91.6	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.042	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-82.1	126.8	174.6	-172.9	0	0	0	0	108.6	S485 L488 F506 L988 F989 I990	S485-V504 WeakPolarHBondContact OG-CB 3.42Å; L488-V504 HydrophobicContact CB-CG2 4.24Å; L488-V504 HydrophobicContact CD2-CB 4.39Å; L488-V504 HydrophobicContact CD2-CG1 3.94Å; L488-V504 HydrophobicContact CD2-CG2 3.51Å; L488-V504 HydrophobicContact CG-CG2 4.49Å; V504-F506 HydrophobicContact CG1-CE2 4.15Å; V504-L988 HydrophobicContact CG1-CB 3.8Å; V504-L988 HydrophobicContact CG1-CD2 3.71Å; V504-L988 HydrophobicContact CG1-CG 4.42Å; V504-F989 CarbonylContact C-O 3.55Å; V504-F989 WeakPolarHBondContact CA-O 2.96Å; V504-I990 HydrophobicContact CG2-CD1 4.04Å; V504-I990 HydrophobicContact CG2-CG1 4.11Å
505	I	95.6	Very high	92	Very high	30 Å²	30	51.1 Å²	51.1	15%	0.154	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.7	-179.9	-57.4	167.2	0	0	0	107.9	D516 A517 F989	I505-D516 HydrophobicContact CG2-CB 4.1Å; I505-A517 HydrophobicContact CB-CB 4.17Å; I505-A517 HydrophobicContact CD1-CB 3.99Å; I505-A517 HydrophobicContact CG2-CB 3.98Å; I505-F989 HydrophobicContact CB-CB 4.28Å; I505-F989 PolarHBondContact N-O 3.45Å; I505-F989 PolarHBondContact O-N 3.28Å
506	F	96.5	Very high	92.3	Very high	19 Å²	19	55.1 Å²	55.1	8%	0.083	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130	169.6	-69	-100	0	0	0	108.3	L411 Q481 I484 V504 D508 L988	L411-F506 HydrophobicContact CD1-CE1 4.04Å; Q481-F506 HydrophobicContact CB-CD2 3.64Å; Q481-F506 HydrophobicContact CB-CE1 4.44Å; Q481-F506 HydrophobicContact CB-CE2 3.49Å; Q481-F506 VanDerWaalsContact CB-CE2 3.49Å; Q481-F506 HydrophobicContact CB-CG 4.19Å; Q481-F506 HydrophobicContact CB-CZ 3.91Å; Q481-F506 HydrophobicContact CG-CB 4.28Å; Q481-F506 HydrophobicContact CG-CD1 3.77Å; Q481-F506 HydrophobicContact CG-CD2 3.62Å; Q481-F506 HydrophobicContact CG-CE1 3.87Å; Q481-F506 HydrophobicContact CG-CE2 3.75Å; Q481-F506 HydrophobicContact CG-CG 3.62Å; Q481-F506 HydrophobicContact CG-CZ 3.85Å; I484-F506 HydrophobicContact CB-CZ 3.95Å; I484-F506 HydrophobicContact CD1-CE1 4.39Å; I484-F506 HydrophobicContact CD1-CZ 4.14Å; I484-F506 HydrophobicContact CG2-CZ 3.75Å; V504-F506 HydrophobicContact CG1-CE2 4.15Å; F506-D508 PolarHBondContact O-N 2.85Å; F506-L988 HydrophobicContact CD1-CD2 4.12Å; F506-L988 HydrophobicContact CD1-CG 4.45Å; F506-L988 HydrophobicContact CE1-CD2 3.36Å; F506-L988 HydrophobicContact CE1-CG 4.07Å; F506-L988 HydrophobicContact CE2-CD2 4.07Å; F506-L988 HydrophobicContact CZ-CD2 3.34Å; F506-L988 HydrophobicContact CZ-CG 4.45Å
507	C	95.7	Very high	92.5	Very high	13 Å²	13	48.5 Å²	48.5	9%	0.088	25%	0.251	C	S	.	.			trans	-99.5	79	178.4	-66.8	0	0	0	0	110.1	L509 L510 C515 F989	C507-L509 PolarHBondContact O-N 3.35Å; C507-L509 VanDerWaalsContact O-N 3.15Å; C507-L510 HydrophobicContact CB-CD1 3.89Å; C507-L510 HydrophobicContact CB-CD2 4.12Å; C507-L510 HydrophobicContact CB-CG 3.6Å; C507-L510 WeakPolarHBondContact O-CD1 3.22Å; C507-L510 VanDerWaalsContact O-CG 3.24Å; C507-L510 WeakPolarHBondContact O-CG 3.32Å; C507-L510 PolarHBondContact O-N 3.16Å; C507-C515 HydrophobicContact CB-CB 3.5Å; C507-C515 VanDerWaalsContact CB-CB 3.5Å; C507-C515 WeakPolarHBondContact CB-SG 3.49Å; C507-C515 WeakPolarHBondContact SG-CA 3.24Å; C507-C515 WeakPolarHBondContact SG-CB 3.42Å; C507-C515 CovalentContact SG-SG 2.03Å; C507-C515 PolarHBondContact SG-SG 3.26Å; C507-F989 HydrophobicContact CB-CE2 3.99Å
508	D	94.7	Very high	92.7	Very high	59 Å²	59	44.4 Å²	44.4	32%	0.316	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.2	-175.8	-62.1	-32.2	0	0	0	112.9	K478 Q481 F506	K478-D508 IonicContact NZ-OD2 3.66Å; K478-D508 PolarHBondContact NZ-OD2 2.05Å; Q481-D508 PolarHBondContact NE2-OD1 3Å; Q481-D508 PolarHBondContact NE2-OD2 2.95Å; F506-D508 PolarHBondContact O-N 2.85Å
509	L	94.9	Very high	92.8	Very high	88 Å²	88	43.7 Å²	43.7	46%	0.461	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	19	-178.3	-59.5	-179.5	0	0	0	113.7	C507 N511 I512 S513 L514	C507-L509 PolarHBondContact O-N 3.35Å; C507-L509 VanDerWaalsContact O-N 3.15Å; L509-N511 PolarHBondContact O-N 3.05Å; L509-N511 VanDerWaalsContact O-N 3.13Å; L509-I512 HydrophobicContact CB-CD1 4.32Å; L509-I512 HydrophobicContact CB-CG1 3.99Å; L509-I512 HydrophobicContact CD2-CD1 4.48Å; L509-I512 CarbonylContact O-C 3.59Å; L509-I512 VanDerWaalsContact O-CG1 3.26Å; L509-I512 WeakPolarHBondContact O-CG1 3.28Å; L509-I512 PolarHBondContact O-N 3.24Å; L509-S513 PolarHBondContact O-N 3.13Å; L509-L514 CarbonylContact C-O 3.58Å; L509-L514 VanDerWaalsContact C-O 3.24Å; L509-L514 HydrophobicContact CB-CB 3.86Å; L509-L514 HydrophobicContact CB-CD1 4.42Å; L509-L514 HydrophobicContact CD1-CD1 4.13Å; L509-L514 PolarHBondContact O-N 3.4Å; L509-L514 VanDerWaalsContact O-N 3.16Å
510	L	95.1	Very high	92.7	Very high	40 Å²	40	43.6 Å²	43.6	21%	0.209	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-56.6	-29.1	175.6	-81.7	169.5	0	0	0	113.2	C507 I512 S513 L514 C515 L552 P553 P987	C507-L510 HydrophobicContact CB-CD1 3.89Å; C507-L510 HydrophobicContact CB-CD2 4.12Å; C507-L510 HydrophobicContact CB-CG 3.6Å; C507-L510 WeakPolarHBondContact O-CD1 3.22Å; C507-L510 VanDerWaalsContact O-CG 3.24Å; C507-L510 WeakPolarHBondContact O-CG 3.32Å; C507-L510 PolarHBondContact O-N 3.16Å; L510-I512 PolarHBondContact O-N 3.43Å; L510-S513 WeakPolarHBondContact O-CA 3.38Å; L510-S513 PolarHBondContact O-N 3.41Å; L510-L514 PolarHBondContact N-O 2.99Å; L510-C515 HydrophobicContact CD2-CB 3.9Å; L510-L552 HydrophobicContact CD2-CD2 4.12Å; L510-P553 HydrophobicContact CD2-CG 4.15Å; L510-P987 HydrophobicContact CD1-CG 3.39Å
511	N	93.7	Very high	93	Very high	47 Å²	47	42.2 Å²	42.2	25%	0.251	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-52.5	-42.1	172.5	168.4	8	0	0	0	111.9	Y403 L509 S513 R957	Y403-N511 HydrophobicContact CE1-CB 3.96Å; L509-N511 PolarHBondContact O-N 3.05Å; L509-N511 VanDerWaalsContact O-N 3.13Å; N511-S513 VanDerWaalsContact C-N 3.29Å; N511-R957 WeakPolarHBondContact O-CD 3.38Å; N511-R957 PolarHBondContact O-NH1 2.52Å; N511-R957 WeakPolarHBondContact OD1-CB 3.25Å
512	I	95.2	Very high	93.3	Very high	19 Å²	19	40 Å²	40	10%	0.097	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-97.8	24.1	177.4	61.1	169.7	0	0	0	111.5	L509 L510 L514 I616 E618 R619	L509-I512 HydrophobicContact CB-CD1 4.32Å; L509-I512 HydrophobicContact CB-CG1 3.99Å; L509-I512 HydrophobicContact CD2-CD1 4.48Å; L509-I512 CarbonylContact O-C 3.59Å; L509-I512 VanDerWaalsContact O-CG1 3.26Å; L509-I512 WeakPolarHBondContact O-CG1 3.28Å; L509-I512 PolarHBondContact O-N 3.24Å; L510-I512 PolarHBondContact O-N 3.43Å; I512-L514 VanDerWaalsContact C-N 3.31Å; I512-L514 HydrophobicContact CD1-CD1 3.76Å; I512-L514 HydrophobicContact CD1-CG 4.34Å; I512-L514 HydrophobicContact CG1-CB 4.47Å; I512-L514 HydrophobicContact CG1-CD1 4.12Å; I512-L514 HydrophobicContact CG1-CG 4.17Å; I512-L514 PolarHBondContact O-N 3.42Å; I512-I616 HydrophobicContact CB-CD1 4.21Å; I512-I616 HydrophobicContact CD1-CG2 4.49Å; I512-I616 HydrophobicContact CG2-CD1 3.81Å; I512-I616 HydrophobicContact CG2-CG2 4.32Å; I512-E618 HydrophobicContact CD1-CB 3.82Å; I512-R619 HydrophobicContact CD1-CG 4.09Å; I512-R619 HydrophobicContact CG1-CG 4.49Å; I512-R619 WeakPolarHBondContact O-CD 3.33Å; I512-R619 PolarHBondContact O-NH1 3.3Å
513	S	96.1	Very high	93.6	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.007	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	37.1	178	-46.5	0	0	0	0	113.3	L509 L510 N511 P553 R619 E629 R957	L509-S513 PolarHBondContact O-N 3.13Å; L510-S513 WeakPolarHBondContact O-CA 3.38Å; L510-S513 PolarHBondContact O-N 3.41Å; N511-S513 VanDerWaalsContact C-N 3.29Å; S513-P553 WeakPolarHBondContact O-CB 3.38Å; S513-P553 WeakPolarHBondContact O-CG 3.08Å; S513-R619 PolarHBondContact O-NH1 2.89Å; S513-E629 VanDerWaalsContact CB-OE1 3.28Å; S513-E629 WeakPolarHBondContact CB-OE1 3.35Å; S513-E629 PolarHBondContact OG-OE1 3.12Å; S513-R957 PolarHBondContact OG-NH1 3.49Å
514	L	95.6	Very high	93.7	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.026	17%	0.167	C	C	.	.			trans	-113.9	138.8	173.3	-68.9	-179.6	0	0	0	111.2	L509 L510 I512 R619 H624	L509-L514 CarbonylContact C-O 3.58Å; L509-L514 VanDerWaalsContact C-O 3.24Å; L509-L514 HydrophobicContact CB-CB 3.86Å; L509-L514 HydrophobicContact CB-CD1 4.42Å; L509-L514 HydrophobicContact CD1-CD1 4.13Å; L509-L514 PolarHBondContact O-N 3.4Å; L509-L514 VanDerWaalsContact O-N 3.16Å; L510-L514 PolarHBondContact N-O 2.99Å; I512-L514 VanDerWaalsContact C-N 3.31Å; I512-L514 HydrophobicContact CD1-CD1 3.76Å; I512-L514 HydrophobicContact CD1-CG 4.34Å; I512-L514 HydrophobicContact CG1-CB 4.47Å; I512-L514 HydrophobicContact CG1-CD1 4.12Å; I512-L514 HydrophobicContact CG1-CG 4.17Å; I512-L514 PolarHBondContact O-N 3.42Å; L514-R619 HydrophobicContact CD1-CB 4.42Å; L514-R619 HydrophobicContact CD1-CG 3.94Å; L514-R619 HydrophobicContact CD2-CG 4.17Å; L514-R619 HydrophobicContact CG-CG 3.99Å; L514-H624 HydrophobicContact CD2-CB 3.78Å
515	C	96.2	Very high	93.5	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.02	17%	0.166	C	C	.	.			trans	-156.8	112.9	176.1	-179.2	0	0	0	0	110.8	C507 L510 A517 T518 E519 P553 F989	C507-C515 HydrophobicContact CB-CB 3.5Å; C507-C515 VanDerWaalsContact CB-CB 3.5Å; C507-C515 WeakPolarHBondContact CB-SG 3.49Å; C507-C515 WeakPolarHBondContact SG-CA 3.24Å; C507-C515 WeakPolarHBondContact SG-CB 3.42Å; C507-C515 CovalentContact SG-SG 2.03Å; C507-C515 PolarHBondContact SG-SG 3.26Å; L510-C515 HydrophobicContact CD2-CB 3.9Å; C515-A517 PolarHBondContact O-N 3.31Å; C515-A517 VanDerWaalsContact O-N 3.08Å; C515-T518 WeakPolarHBondContact CB-OG1 3.44Å; C515-T518 PolarHBondContact O-N 2.98Å; C515-T518 PolarHBondContact O-OG1 2.86Å; C515-E519 PolarHBondContact O-N 2.81Å; C515-E519 VanDerWaalsContact O-N 3.11Å; C515-P553 HydrophobicContact CB-CG 3.67Å; C515-F989 VanDerWaalsContact SG-CE2 3.54Å
516	D	93.2	Very high	93.2	Very high	84 Å²	84	34.1 Å²	34.1	45%	0.449	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-52.2	-36.9	178.5	-74.4	-28.5	0	0	0	112.2	I505 T518 R522	I505-D516 HydrophobicContact CG2-CB 4.1Å; D516-T518 PolarHBondContact O-N 2.84Å; D516-R522 VanDerWaalsContact C-NH1 3.32Å; D516-R522 WeakPolarHBondContact O-CD 3.35Å; D516-R522 PolarHBondContact O-NH1 3.36Å; D516-R522 IonicContact OD1-NH1 2.73Å
517	A	93.8	Very high	92.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-66.6	-23.3	-177	0	0	0	0	0	114.3	I505 C515 V533 F989	I505-A517 HydrophobicContact CB-CB 4.17Å; I505-A517 HydrophobicContact CD1-CB 3.99Å; I505-A517 HydrophobicContact CG2-CB 3.98Å; C515-A517 PolarHBondContact O-N 3.31Å; C515-A517 VanDerWaalsContact O-N 3.08Å; A517-V533 HydrophobicContact CB-CG2 4.15Å; A517-F989 HydrophobicContact CB-CB 3.22Å; A517-F989 HydrophobicContact CB-CD1 3.94Å; A517-F989 HydrophobicContact CB-CD2 3.88Å; A517-F989 HydrophobicContact CB-CG 3.4Å; A517-F989 VanDerWaalsContact CB-CG 3.4Å
518	T	95	Very high	92	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-119.2	8	-175	55.3	0	0	0	0	113.2	C515 D516 V533 P553 L647 F989	C515-T518 WeakPolarHBondContact CB-OG1 3.44Å; C515-T518 PolarHBondContact O-N 2.98Å; C515-T518 PolarHBondContact O-OG1 2.86Å; D516-T518 PolarHBondContact O-N 2.84Å; T518-V533 HydrophobicContact CG2-CG1 4.22Å; T518-P553 WeakPolarHBondContact CB-O 3.3Å; T518-P553 PolarHBondContact OG1-O 2.89Å; T518-L647 HydrophobicContact CG2-CD2 4.32Å; T518-F989 HydrophobicContact CG2-CE1 4.41Å
519	E	93.4	Very high	91.6	Very high	7 Å²	7	48.5 Å²	48.5	3%	0.033	24%	0.239	C	C	.	.	S	Bend	trans	-75.5	142.3	-177.1	-167.1	52.6	-97.4	0	0	112.9	C515 L521 R522 E623 L625 A626	C515-E519 PolarHBondContact O-N 2.81Å; C515-E519 VanDerWaalsContact O-N 3.11Å; E519-L521 PolarHBondContact O-N 3.2Å; E519-R522 WeakPolarHBondContact O-CB 3.26Å; E519-R522 WeakPolarHBondContact O-CD 3.27Å; E519-R522 VanDerWaalsContact O-CG 3.22Å; E519-R522 WeakPolarHBondContact O-CG 3Å; E519-R522 PolarHBondContact O-N 3.47Å; E519-E623 WeakPolarHBondContact CG-O 3.28Å; E519-L625 VanDerWaalsContact CD-N 3.28Å; E519-L625 WeakPolarHBondContact OE1-CA 3.45Å; E519-L625 PolarHBondContact OE1-N 2.88Å; E519-A626 PolarHBondContact OE1-N 3.39Å
520	G	88.4	Confident	91.3	Very high	11 Å²	11	47.5 Å²	47.5	11%	0.113	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	-132.4	-179.4	0	0	0	0	0	113.5	R522	G520-R522 VanDerWaalsContact C-N 3.31Å; G520-R522 PolarHBondContact O-N 3.06Å
521	L	86.8	Confident	91.2	Very high	104 Å²	104	46.4 Å²	46.4	55%	0.545	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	9.1	-178.4	-50.9	-176.2	0	0	0	113.5	E519 Q524 Y555 P557	E519-L521 PolarHBondContact O-N 3.2Å; L521-Q524 HydrophobicContact CB-CB 4.23Å; L521-Q524 WeakPolarHBondContact O-CB 3.4Å; L521-Q524 PolarHBondContact O-N 3.05Å; L521-Y555 HydrophobicContact CD2-CD1 4.2Å; L521-Y555 HydrophobicContact CD2-CE1 4.33Å; L521-P557 HydrophobicContact CD2-CG 4.44Å
522	R	90.5	Very high	91.2	Very high	109 Å²	109	44.2 Å²	44.2	41%	0.411	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-39.9	-178.5	-73.7	176.1	-174.3	172	9.7	114.7	D516 E519 G520 Q524 Q991	D516-R522 VanDerWaalsContact C-NH1 3.32Å; D516-R522 WeakPolarHBondContact O-CD 3.35Å; D516-R522 PolarHBondContact O-NH1 3.36Å; D516-R522 IonicContact OD1-NH1 2.73Å; E519-R522 WeakPolarHBondContact O-CB 3.26Å; E519-R522 WeakPolarHBondContact O-CD 3.27Å; E519-R522 VanDerWaalsContact O-CG 3.22Å; E519-R522 WeakPolarHBondContact O-CG 3Å; E519-R522 PolarHBondContact O-N 3.47Å; G520-R522 VanDerWaalsContact C-N 3.31Å; G520-R522 PolarHBondContact O-N 3.06Å; R522-Q524 PolarHBondContact O-N 2.93Å; R522-Q991 PolarHBondContact O-NE2 3.42Å
523	P	92	Very high	91.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-1	174.3	31.9	-34	0	0	0	112.9	V533 A648 L649	P523-V533 HydrophobicContact CB-CG1 4.35Å; P523-A648 CarbonylContact O-C 3.57Å; P523-A648 WeakPolarHBondContact O-CA 3.14Å; P523-L649 HydrophobicContact CB-CG 4.28Å; P523-L649 HydrophobicContact CG-CD1 3.86Å; P523-L649 HydrophobicContact CG-CG 4.14Å; P523-L649 PolarHBondContact O-N 3.02Å
524	Q	89.8	Confident	91.1	Very high	41 Å²	41	43.2 Å²	43.2	19%	0.192	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-76.3	137	-176.3	-162.8	-179.5	-6.3	0	0	111.7	L521 R522 Y560 L649	L521-Q524 HydrophobicContact CB-CB 4.23Å; L521-Q524 WeakPolarHBondContact O-CB 3.4Å; L521-Q524 PolarHBondContact O-N 3.05Å; R522-Q524 PolarHBondContact O-N 2.93Å; Q524-Y560 PolarHBondContact NE2-OH 3.43Å; Q524-Y560 VanDerWaalsContact NE2-OH 3.14Å; Q524-L649 CarbonylContact C-O 3.56Å; Q524-L649 VanDerWaalsContact CA-O 3.29Å; Q524-L649 WeakPolarHBondContact CA-O 3.42Å; Q524-L649 WeakPolarHBondContact CG-O 3.02Å
525	L	91.6	Very high	91.2	Very high	6 Å²	6	43 Å²	43	3%	0.031	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-71.2	140.2	168.6	-63.6	-173.7	0	0	0	110.7	N529 Q530 I568 Y646 A648 L649 N650	L525-N529 HydrophobicContact CD1-CB 4.32Å; L525-Q530 WeakPolarHBondContact CA-O 3.46Å; L525-I568 HydrophobicContact CD1-CD1 3.86Å; L525-Y646 WeakPolarHBondContact CD2-OH 3.4Å; L525-A648 HydrophobicContact CD1-CB 4.39Å; L525-A648 HydrophobicContact CD2-CB 3.62Å; L525-A648 HydrophobicContact CG-CB 3.83Å; L525-L649 PolarHBondContact N-O 2.94Å; L525-N650 HydrophobicContact CD1-CB 4.09Å
526	N	88.6	Confident	91.2	Very high	60 Å²	60	42.9 Å²	42.9	32%	0.321	21%	0.211	S	C	.	.			trans	-75.9	175.9	168.5	71	19.1	0	0	0	111.3	F528 N529 Q530	N526-F528 PolarHBondContact O-N 2.89Å; N526-F528 WeakPolarHBondContact OD1-CA 3.34Å; N526-F528 WeakPolarHBondContact OD1-CB 3.43Å; N526-F528 PolarHBondContact OD1-N 3.06Å; N526-N529 PolarHBondContact O-N 2.92Å; N526-N529 PolarHBondContact OD1-N 3.4Å; N526-Q530 PolarHBondContact N-O 3.36Å; N526-Q530 WeakPolarHBondContact OD1-CB 3.4Å; N526-Q530 PolarHBondContact OD1-N 2.76Å; N526-Q530 PolarHBondContact OD1-O 3.38Å
527	H	84.3	Confident	91.4	Very high	138 Å²	138	38.9 Å²	38.9	64%	0.639	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-18.5	179	-55.1	74.2	0	0	0	114.4	Y654	H527-Y654 HydrophobicContact CB-CE1 4.49Å; H527-Y654 AromaticContact CD2-CD1 3.44Å; H527-Y654 VanDerWaalsContact CD2-CD1 3.44Å; H527-Y654 WeakPolarHBondContact CD2-CD1 3.46Å; H527-Y654 AromaticContact CD2-CE1 2.93Å; H527-Y654 WeakPolarHBondContact CD2-CE1 3.48Å; H527-Y654 AromaticContact CD2-CZ 3.45Å; H527-Y654 VanDerWaalsContact CD2-CZ 3.45Å; H527-Y654 AromaticContact CE1-CE1 3.76Å; H527-Y654 AromaticContact CG-CE1 3.61Å; H527-Y654 AromaticContact CG-CZ 3.59Å; H527-Y654 PolarHBondContact N-OH 2.93Å; H527-Y654 AromaticContact ND1-CZ 3.97Å; H527-Y654 PolarHBondContact ND1-OH 3.42Å; H527-Y654 AromaticContact NE2-CD1 3.83Å; H527-Y654 AromaticContact NE2-CE1 3.06Å; H527-Y654 WeakPolarHBondContact NE2-CE1 3.45Å; H527-Y654 AromaticContact NE2-CZ 3.74Å
528	F	84.2	Confident	91.6	Very high	160 Å²	160	38.9 Å²	38.9	70%	0.702	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	10	176.9	-57.6	-72.2	0	0	0	113.1	N526 Q530	N526-F528 PolarHBondContact O-N 2.89Å; N526-F528 WeakPolarHBondContact OD1-CA 3.34Å; N526-F528 WeakPolarHBondContact OD1-CB 3.43Å; N526-F528 PolarHBondContact OD1-N 3.06Å; F528-Q530 HydrophobicContact CB-CG 3.96Å; F528-Q530 PolarHBondContact O-N 2.86Å
529	N	84.9	Confident	91.7	Very high	96 Å²	96	38.9 Å²	38.9	51%	0.513	19%	0.19	S	C	.	.	S	Bend	trans	57.8	29.5	-171.6	-61.8	-42.7	0	0	0	113.8	L525 N526	L525-N529 HydrophobicContact CD1-CB 4.32Å; N526-N529 PolarHBondContact O-N 2.92Å; N526-N529 PolarHBondContact OD1-N 3.4Å
530	Q	89.9	Confident	91.9	Very high	67 Å²	67	38.8 Å²	38.8	31%	0.313	19%	0.19	S	C	.	.			trans	-105.2	156.7	176.4	-55.6	172	-4.7	0	0	109.8	L525 N526 F528 K993 Y994	L525-Q530 WeakPolarHBondContact CA-O 3.46Å; N526-Q530 PolarHBondContact N-O 3.36Å; N526-Q530 WeakPolarHBondContact OD1-CB 3.4Å; N526-Q530 PolarHBondContact OD1-N 2.76Å; N526-Q530 PolarHBondContact OD1-O 3.38Å; F528-Q530 HydrophobicContact CB-CG 3.96Å; F528-Q530 PolarHBondContact O-N 2.86Å; Q530-K993 WeakPolarHBondContact CB-O 3.37Å; Q530-Y994 HydrophobicContact CB-CD1 4.4Å; Q530-Y994 HydrophobicContact CG-CD1 3.85Å; Q530-Y994 HydrophobicContact CG-CE1 3.83Å
531	G	92.2	Very high	92.3	Very high	17 Å²	17	38.5 Å²	38.5	18%	0.175	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	109.3	-153.6	-174.7	0	0	0	0	0	112.6	Y646 A992 K993	G531-Y646 PolarHBondContact O-OH 3.06Å; G531-A992 CarbonylContact C-O 3.58Å; G531-A992 VanDerWaalsContact CA-O 3.28Å; G531-A992 WeakPolarHBondContact CA-O 3.41Å; G531-K993 PolarHBondContact N-O 2.82Å
532	G	93.6	Very high	92.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.16	C	C	.	.			trans	87.8	-177.8	-172.1	0	0	0	0	0	112.6	L647 Q991 A992	G532-L647 CarbonylContact C-O 3.31Å; G532-L647 WeakPolarHBondContact CA-O 3.28Å; G532-Q991 PolarHBondContact O-OE1 3.5Å; G532-A992 WeakPolarHBondContact O-CA 3.42Å; G532-A992 VanDerWaalsContact O-CB 3.27Å; G532-A992 WeakPolarHBondContact O-CB 3.2Å; G532-A992 PolarHBondContact O-N 3.1Å
533	V	95.2	Very high	93.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.1	-176.5	67.6	0	0	0	0	110.6	A517 T518 P523 L647 F989	A517-V533 HydrophobicContact CB-CG2 4.15Å; T518-V533 HydrophobicContact CG2-CG1 4.22Å; P523-V533 HydrophobicContact CB-CG1 4.35Å; V533-L647 HydrophobicContact CG1-CB 3.83Å; V533-L647 HydrophobicContact CG1-CD2 4.18Å; V533-L647 HydrophobicContact CG1-CG 4.24Å; V533-L647 PolarHBondContact N-O 3.26Å; V533-L647 PolarHBondContact O-N 3.46Å; V533-F989 HydrophobicContact CG2-CB 3.94Å; V533-F989 HydrophobicContact CG2-CD1 4.16Å
534	F	95	Very high	93.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.9	166.2	-68.6	-65.7	0	0	0	109.6	L495 F498 I499 L572 F645 Y646 F989 I990 A992 P996	L495-F534 HydrophobicContact CD2-CD1 4.23Å; L495-F534 HydrophobicContact CD2-CD2 4.4Å; L495-F534 HydrophobicContact CD2-CE1 4.31Å; L495-F534 HydrophobicContact CD2-CE2 4.46Å; L495-F534 HydrophobicContact CD2-CG 4.28Å; L495-F534 HydrophobicContact CD2-CZ 4.43Å; F498-F534 HydrophobicContact CB-CE2 3.91Å; F498-F534 HydrophobicContact CB-CZ 3.65Å; I499-F534 HydrophobicContact CG2-CD2 3.73Å; I499-F534 HydrophobicContact CG2-CE2 3.68Å; F534-L572 HydrophobicContact CD1-CD1 3.85Å; F534-L572 HydrophobicContact CE1-CD1 3.78Å; F534-F645 CarbonylContact C-O 3.59Å; F534-F645 WeakPolarHBondContact CA-O 3.41Å; F534-Y646 HydrophobicContact CD1-CD2 4.06Å; F534-Y646 AromaticContact CE1-CD2 3.79Å; F534-Y646 HydrophobicContact CE1-CD2 3.79Å; F534-Y646 HydrophobicContact CZ-CD2 4.33Å; F534-F989 VanDerWaalsContact O-CA 3.23Å; F534-F989 WeakPolarHBondContact O-CA 3.46Å; F534-I990 HydrophobicContact CB-CB 4.44Å; F534-I990 PolarHBondContact N-O 2.95Å; F534-I990 PolarHBondContact O-N 2.88Å; F534-I990 VanDerWaalsContact O-N 3.12Å; F534-A992 HydrophobicContact CD2-CB 3.68Å; F534-A992 HydrophobicContact CE2-CB 3.39Å; F534-A992 HydrophobicContact CG-CB 4.4Å; F534-A992 HydrophobicContact CZ-CB 3.87Å; F534-P996 HydrophobicContact CE1-CG 3.77Å; F534-P996 HydrophobicContact CZ-CG 3.97Å
535	I	96	Very high	93.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120	170.6	-54.9	161.9	0	0	0	106.7	L537 L552 L569 F632 F645 L647 F989	I535-L537 HydrophobicContact CG2-CD2 3.71Å; I535-L537 HydrophobicContact CG2-CG 4.17Å; I535-L552 HydrophobicContact CD1-CD1 3.51Å; I535-L552 HydrophobicContact CG1-CD1 4.03Å; I535-L552 HydrophobicContact CG2-CD1 4.16Å; I535-L569 HydrophobicContact CD1-CD1 4.14Å; I535-F632 HydrophobicContact CD1-CZ 4.26Å; I535-F645 HydrophobicContact CB-CB 4.12Å; I535-F645 PolarHBondContact N-O 2.69Å; I535-F645 PolarHBondContact O-N 3.05Å; I535-L647 HydrophobicContact CD1-CB 3.63Å; I535-L647 HydrophobicContact CD1-CD2 4.18Å; I535-L647 HydrophobicContact CG1-CB 4.28Å; I535-F989 HydrophobicContact CB-CD1 4.49Å; I535-F989 HydrophobicContact CB-CE1 4.43Å; I535-F989 HydrophobicContact CG1-CD1 4.04Å; I535-F989 HydrophobicContact CG1-CE1 3.95Å; I535-F989 HydrophobicContact CG2-CE1 4.12Å
536	I	96.2	Very high	93.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.1	-177.6	-49.2	-175.8	0	0	0	106.6	L488 L492 L495 F642 S643 L644 L988 I990	L488-I536 HydrophobicContact CD2-CD1 3.69Å; L492-I536 HydrophobicContact CD1-CG2 4.25Å; L495-I536 HydrophobicContact CD1-CD1 4.02Å; I536-F642 HydrophobicContact CG2-CB 4.08Å; I536-F642 HydrophobicContact CG2-CD1 3.59Å; I536-F642 HydrophobicContact CG2-CE1 4.44Å; I536-F642 HydrophobicContact CG2-CG 4.21Å; I536-S643 CarbonylContact C-O 3.51Å; I536-S643 WeakPolarHBondContact CA-O 3.31Å; I536-L644 HydrophobicContact CB-CD2 4.06Å; I536-L644 HydrophobicContact CD1-CD2 3.99Å; I536-L644 HydrophobicContact CG1-CD2 3.56Å; I536-L644 HydrophobicContact CG2-CD2 3.8Å; I536-L988 HydrophobicContact CB-CB 4.21Å; I536-L988 HydrophobicContact CG2-CD1 4.46Å; I536-L988 PolarHBondContact N-O 3.09Å; I536-L988 WeakPolarHBondContact O-CD1 3.35Å; I536-L988 PolarHBondContact O-N 3.43Å; I536-I990 HydrophobicContact CD1-CD1 3.62Å; I536-I990 HydrophobicContact CD1-CG1 3.87Å
537	L	97.5	Very high	93.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.5	-178.3	-62.5	-172.2	0	0	0	109.8	I535 I550 V634 L637 F642 S643 F645 I985 P987	I535-L537 HydrophobicContact CG2-CD2 3.71Å; I535-L537 HydrophobicContact CG2-CG 4.17Å; L537-I550 HydrophobicContact CD1-CD1 4.03Å; L537-I550 HydrophobicContact CD1-CG1 3.82Å; L537-I550 HydrophobicContact CD2-CD1 4.31Å; L537-V634 HydrophobicContact CD1-CB 4.26Å; L537-V634 HydrophobicContact CD1-CG1 3.78Å; L537-V634 HydrophobicContact CD1-CG2 3.84Å; L537-L637 HydrophobicContact CB-CD2 4.46Å; L537-L637 HydrophobicContact CD1-CD2 4.42Å; L537-F642 CarbonylContact O-C 3.56Å; L537-F642 WeakPolarHBondContact O-CA 3.45Å; L537-S643 PolarHBondContact N-O 2.76Å; L537-S643 PolarHBondContact O-N 3.16Å; L537-F645 HydrophobicContact CB-CE2 4.2Å; L537-F645 HydrophobicContact CD1-CD2 3.97Å; L537-F645 HydrophobicContact CD1-CE2 3.51Å; L537-F645 HydrophobicContact CD1-CZ 4.15Å; L537-F645 HydrophobicContact CG-CD2 3.97Å; L537-F645 HydrophobicContact CG-CE2 3.82Å; L537-I985 HydrophobicContact CB-CG2 3.7Å; L537-I985 HydrophobicContact CD1-CG2 4.41Å; L537-I985 HydrophobicContact CD2-CG2 4.13Å; L537-I985 HydrophobicContact CG-CG2 4.29Å; L537-P987 HydrophobicContact CD2-CB 3.83Å
538	Y	97.9	Very high	93.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.7	176	-174.7	-101.8	0	0	0	111.6	M414 Q417 V418 P540 I640 G641 F642 I985 I986	M414-Y538 HydrophobicContact CB-CD1 3.69Å; M414-Y538 HydrophobicContact CB-CE1 3.46Å; M414-Y538 VanDerWaalsContact CB-CE1 3.46Å; M414-Y538 HydrophobicContact CE-CD1 4.3Å; M414-Y538 HydrophobicContact CE-CD2 4.1Å; M414-Y538 HydrophobicContact CE-CG 3.87Å; M414-Y538 HydrophobicContact CG-CD1 3.5Å; M414-Y538 VanDerWaalsContact CG-CD1 3.5Å; M414-Y538 HydrophobicContact CG-CD2 4.42Å; M414-Y538 HydrophobicContact CG-CE1 3.49Å; M414-Y538 VanDerWaalsContact CG-CE1 3.49Å; M414-Y538 HydrophobicContact CG-CE2 4.39Å; M414-Y538 HydrophobicContact CG-CG 3.97Å; M414-Y538 HydrophobicContact SD-CD1 3.84Å; M414-Y538 HydrophobicContact SD-CE1 4.44Å; M414-Y538 HydrophobicContact SD-CG 3.96Å; Q417-Y538 VanDerWaalsContact CB-OH 3.23Å; Q417-Y538 WeakPolarHBondContact CB-OH 3.29Å; Q417-Y538 PolarHBondContact OE1-OH 2.66Å; V418-Y538 HydrophobicContact CG2-CE2 4.46Å; Y538-P540 HydrophobicContact CD1-CB 4.25Å; Y538-P540 HydrophobicContact CE1-CB 3.84Å; Y538-P540 WeakPolarHBondContact O-CD 3.44Å; Y538-I640 WeakPolarHBondContact OH-CG2 3.47Å; Y538-G641 CarbonylContact C-O 3.52Å; Y538-G641 VanDerWaalsContact CA-O 3.3Å; Y538-G641 WeakPolarHBondContact CA-O 3.49Å; Y538-F642 AromaticContact CD2-CD1 3.6Å; Y538-F642 HydrophobicContact CD2-CD1 3.6Å; Y538-F642 HydrophobicContact CD2-CD2 4.26Å; Y538-F642 AromaticContact CD2-CE1 3.35Å; Y538-F642 HydrophobicContact CD2-CE1 3.35Å; Y538-F642 AromaticContact CD2-CE2 3.98Å; Y538-F642 HydrophobicContact CD2-CE2 3.98Å; Y538-F642 HydrophobicContact CD2-CG 4.07Å; Y538-F642 AromaticContact CD2-CZ 3.53Å; Y538-F642 HydrophobicContact CD2-CZ 3.53Å; Y538-F642 HydrophobicContact CE2-CE1 4.16Å; Y538-F642 HydrophobicContact CE2-CE2 4.04Å; Y538-F642 AromaticContact CE2-CZ 3.86Å; Y538-F642 HydrophobicContact CE2-CZ 3.86Å; Y538-F642 HydrophobicContact CG-CD1 4.29Å; Y538-F642 AromaticContact CG-CE1 3.97Å; Y538-F642 HydrophobicContact CG-CE1 3.97Å; Y538-F642 HydrophobicContact CG-CZ 4.43Å; Y538-I985 WeakPolarHBondContact O-CA 3.2Å; Y538-I986 HydrophobicContact CD1-CD1 4.37Å; Y538-I986 PolarHBondContact N-O 3Å; Y538-I986 PolarHBondContact O-N 2.92Å
539	N	97.8	Very high	94.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	109.6	171.4	176.4	11.5	0	0	0	109.7	L541 W543 L637 S638 I640 G641 I985	N539-L541 VanDerWaalsContact C-N 3.29Å; N539-L541 PolarHBondContact O-N 2.82Å; N539-L541 WeakPolarHBondContact OD1-CB 3.24Å; N539-L541 PolarHBondContact OD1-N 2.99Å; N539-W543 PolarHBondContact ND2-O 3.01Å; N539-L637 HydrophobicContact CB-CB 4.36Å; N539-L637 PolarHBondContact ND2-O 2.84Å; N539-S638 WeakPolarHBondContact CB-O 3.37Å; N539-S638 PolarHBondContact ND2-O 2.78Å; N539-S638 VanDerWaalsContact ND2-O 3.14Å; N539-I640 CarbonylContact O-C 3.47Å; N539-I640 WeakPolarHBondContact O-CA 3.4Å; N539-I640 PolarHBondContact O-N 2.82Å; N539-G641 PolarHBondContact N-O 3.08Å; N539-G641 PolarHBondContact O-N 3.5Å; N539-G641 VanDerWaalsContact O-N 3.11Å; N539-I985 HydrophobicContact CB-CD1 3.65Å
540	P	97.1	Very high	95	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.032	10%	0.095	C	C	.	.			trans	-77.9	-11.6	-179.1	32.5	-36.7	0	0	0	113.8	N410 Q417 Y538 K983	N410-P540 WeakPolarHBondContact OD1-CG 3.28Å; Q417-P540 PolarHBondContact NE2-O 3.02Å; Y538-P540 HydrophobicContact CD1-CB 4.25Å; Y538-P540 HydrophobicContact CE1-CB 3.84Å; Y538-P540 WeakPolarHBondContact O-CD 3.44Å; P540-K983 HydrophobicContact CG-CB 4.03Å
541	L	97.8	Very high	95.3	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	9%	0.089	C	C	.	.	S	Bend	trans	-82.9	153.2	-175.8	-63.1	168.7	0	0	0	111.5	N539 W543 P639 I640 I980 K983	N539-L541 VanDerWaalsContact C-N 3.29Å; N539-L541 PolarHBondContact O-N 2.82Å; N539-L541 WeakPolarHBondContact OD1-CB 3.24Å; N539-L541 PolarHBondContact OD1-N 2.99Å; L541-W543 HydrophobicContact CD1-CE3 4.05Å; L541-W543 HydrophobicContact CD1-CZ3 4.39Å; L541-W543 PolarHBondContact O-N 3.45Å; L541-P639 CarbonylContact O-C 3.5Å; L541-P639 VanDerWaalsContact O-CA 3.28Å; L541-P639 WeakPolarHBondContact O-CA 3.35Å; L541-P639 WeakPolarHBondContact O-CB 3.44Å; L541-I640 PolarHBondContact O-N 2.78Å; L541-I980 HydrophobicContact CD1-CG1 4.08Å; L541-K983 HydrophobicContact CD2-CB 3.94Å; L541-K983 HydrophobicContact CD2-CG 4.32Å; L541-K983 HydrophobicContact CG-CB 4.29Å
542	G	97.3	Very high	95.6	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.01	8%	0.081	C	C	.	.	S	Bend	trans	-73.3	4.8	170.7	0	0	0	0	0	114.5	P639 L1011	G542-P639 VanDerWaalsContact C-CB 3.41Å; G542-P639 WeakPolarHBondContact O-CB 3.32Å; G542-L1011 WeakPolarHBondContact O-CB 3.42Å; G542-L1011 PolarHBondContact O-N 2.93Å
543	W	96.6	Very high	95.7	Very high	9 Å²	9	16.7 Å²	16.7	3%	0.034	8%	0.082	C	C	.	.	S	Bend	trans	-108.3	147.6	-178.3	-53.6	-37.8	0	0	0	111.6	N539 L541 I976 Q979 I980 P1012 D1013 I1015 H1016 L1046	N539-W543 PolarHBondContact ND2-O 3.01Å; L541-W543 HydrophobicContact CD1-CE3 4.05Å; L541-W543 HydrophobicContact CD1-CZ3 4.39Å; L541-W543 PolarHBondContact O-N 3.45Å; W543-I976 HydrophobicContact CE3-CG2 4.28Å; W543-I976 HydrophobicContact CH2-CB 4.4Å; W543-I976 HydrophobicContact CH2-CG2 4.03Å; W543-I976 HydrophobicContact CZ3-CG2 3.76Å; W543-Q979 HydrophobicContact CH2-CB 3.79Å; W543-Q979 HydrophobicContact CH2-CG 3.95Å; W543-Q979 HydrophobicContact CZ3-CB 3.82Å; W543-Q979 HydrophobicContact CZ3-CG 4.48Å; W543-I980 HydrophobicContact CE3-CG1 4.22Å; W543-I980 HydrophobicContact CZ3-CG1 4.04Å; W543-P1012 PolarHBondContact NE1-O 3.04Å; W543-P1012 VanDerWaalsContact NE1-O 3.11Å; W543-D1013 VanDerWaalsContact CE2-O 3.25Å; W543-D1013 WeakPolarHBondContact CZ2-O 3.37Å; W543-D1013 PolarHBondContact NE1-O 3.28Å; W543-I1015 PolarHBondContact NE1-O 2.85Å; W543-H1016 HydrophobicContact CH2-CB 4.36Å; W543-H1016 AromaticContact CH2-ND1 4Å; W543-H1016 HydrophobicContact CZ2-CB 3.85Å; W543-L1046 HydrophobicContact CH2-CD1 3.61Å; W543-L1046 HydrophobicContact CZ2-CD1 3.74Å
544	E	93.8	Very high	95.7	Very high	87 Å²	87	16.7 Å²	16.7	41%	0.407	8%	0.082	S	C	.	.			trans	-71.2	130.1	164	-175.5	171	-113.3	0	0	109.8	L546 L636 L637 A1010	E544-L546 HydrophobicContact CG-CD2 4.4Å; E544-L636 HydrophobicContact CG-CD2 4.44Å; E544-L637 WeakPolarHBondContact CA-O 3.43Å; E544-A1010 HydrophobicContact CB-CB 4.43Å
545	Q	92.4	Very high	95.7	Very high	15 Å²	15	19.3 Å²	19.3	7%	0.07	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-95.8	111.5	175.1	-62.2	-67.5	-55.6	0	0	109.5	L636 L637 I985	Q545-L636 CarbonylContact O-C 3.53Å; Q545-L636 WeakPolarHBondContact O-CA 2.9Å; Q545-L636 PolarHBondContact O-N 2.71Å; Q545-L636 VanDerWaalsContact O-N 3.08Å; Q545-L637 HydrophobicContact CB-CB 4.16Å; Q545-L637 HydrophobicContact CB-CD1 4.47Å; Q545-L637 PolarHBondContact N-O 2.82Å; Q545-L637 PolarHBondContact O-N 2.87Å; Q545-I985 HydrophobicContact CG-CD1 4.43Å
546	L	90.2	Very high	95.4	Very high	84 Å²	84	20.2 Å²	20.2	44%	0.44	10%	0.097	S	C	.	.	S	Bend	trans	-73.8	-29.1	-175.7	-60.8	179.7	0	0	0	113.2	E544 K635 L636	E544-L546 HydrophobicContact CG-CD2 4.4Å; L546-K635 VanDerWaalsContact O-CA 3.28Å; L546-K635 WeakPolarHBondContact O-CA 3.33Å; L546-K635 WeakPolarHBondContact O-CB 3.4Å; L546-L636 HydrophobicContact CD2-CD2 3.9Å
547	S	91.8	Very high	94.8	Very high	22 Å²	22	21.4 Å²	21.4	15%	0.154	10%	0.104	C	C	.	.			trans	-149	130.4	-178.8	177.2	0	0	0	0	109.2	N633 V634 N797	S547-N633 PolarHBondContact OG-ND2 2.97Å; S547-V634 CarbonylContact C-O 3.54Å; S547-V634 WeakPolarHBondContact CA-O 3.39Å; S547-N797 PolarHBondContact OG-ND2 3.44Å
548	T	94.3	Very high	94	Very high	25 Å²	25	30.2 Å²	30.2	15%	0.153	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	130.1	172.8	-56.8	0	0	0	0	110.1	I550 N633 V634 I985	T548-I550 HydrophobicContact CG2-CD1 4.02Å; T548-N633 PolarHBondContact N-ND2 3.29Å; T548-N633 WeakPolarHBondContact O-CA 3.28Å; T548-N633 PolarHBondContact O-ND2 3.07Å; T548-V634 PolarHBondContact N-O 2.91Å; T548-V634 WeakPolarHBondContact O-CG2 3.42Å; T548-V634 PolarHBondContact O-N 3.41Å; T548-I985 HydrophobicContact CG2-CG1 3.82Å
549	W	96.1	Very high	92.7	Very high	28 Å²	28	37.7 Å²	37.7	11%	0.106	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	128.8	174	-67.7	102.4	0	0	0	111.1	V631 N633 C776 Y795 N796 N797	W549-V631 HydrophobicContact CE3-CG1 4.12Å; W549-N633 HydrophobicContact CD2-CB 4.08Å; W549-N633 HydrophobicContact CE3-CB 3.75Å; W549-N633 HydrophobicContact CH2-CB 3.74Å; W549-N633 HydrophobicContact CZ2-CB 4.03Å; W549-N633 HydrophobicContact CZ3-CB 3.58Å; W549-C776 HydrophobicContact CH2-CB 3.95Å; W549-C776 VanDerWaalsContact CH2-O 3.32Å; W549-C776 WeakPolarHBondContact CH2-O 3.32Å; W549-C776 HydrophobicContact CZ3-CB 3.71Å; W549-Y795 HydrophobicContact CB-CD1 4.2Å; W549-Y795 HydrophobicContact CB-CE1 3.77Å; W549-Y795 AromaticContact CD1-CD1 3.72Å; W549-Y795 AromaticContact CD1-CG 3.72Å; W549-Y795 AromaticContact CD2-CD1 3.29Å; W549-Y795 HydrophobicContact CD2-CD1 3.29Å; W549-Y795 AromaticContact CD2-CE1 3.73Å; W549-Y795 HydrophobicContact CD2-CE1 3.73Å; W549-Y795 AromaticContact CD2-CG 3.99Å; W549-Y795 HydrophobicContact CD2-CG 3.99Å; W549-Y795 AromaticContact CE2-CD1 3.45Å; W549-Y795 VanDerWaalsContact CE2-CD1 3.45Å; W549-Y795 AromaticContact CE2-CG 3.74Å; W549-Y795 AromaticContact CE3-CD1 3.76Å; W549-Y795 HydrophobicContact CE3-CD1 3.76Å; W549-Y795 HydrophobicContact CE3-CE1 4.07Å; W549-Y795 AromaticContact CG-CD1 3.48Å; W549-Y795 HydrophobicContact CG-CD1 3.48Å; W549-Y795 VanDerWaalsContact CG-CD1 3.48Å; W549-Y795 AromaticContact CG-CE1 3.58Å; W549-Y795 HydrophobicContact CG-CE1 3.58Å; W549-Y795 AromaticContact CG-CG 3.98Å; W549-Y795 HydrophobicContact CG-CG 3.98Å; W549-Y795 HydrophobicContact CH2-CD1 4.4Å; W549-Y795 HydrophobicContact CZ2-CD1 4.03Å; W549-Y795 HydrophobicContact CZ2-CG 4.32Å; W549-Y795 HydrophobicContact CZ3-CD1 4.29Å; W549-Y795 AromaticContact NE1-CD1 3.69Å; W549-Y795 AromaticContact NE1-CG 3.55Å; W549-N796 WeakPolarHBondContact CH2-OD1 3.45Å; W549-N796 WeakPolarHBondContact CZ2-OD1 3.12Å; W549-N797 PolarHBondContact NE1-OD1 3.14Å
550	I	96.8	Very high	91.2	Very high	15 Å²	15	39.6 Å²	39.6	8%	0.077	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136	177.8	-57.4	-63.5	0	0	0	108.4	L537 T548 L552 V631 F632 V634 I985	L537-I550 HydrophobicContact CD1-CD1 4.03Å; L537-I550 HydrophobicContact CD1-CG1 3.82Å; L537-I550 HydrophobicContact CD2-CD1 4.31Å; T548-I550 HydrophobicContact CG2-CD1 4.02Å; I550-L552 HydrophobicContact CG2-CD1 4.26Å; I550-L552 HydrophobicContact CG2-CD2 4.25Å; I550-L552 HydrophobicContact CG2-CG 3.91Å; I550-V631 WeakPolarHBondContact O-CA 3.42Å; I550-F632 HydrophobicContact CB-CD1 4.48Å; I550-F632 HydrophobicContact CB-CD2 4.36Å; I550-F632 HydrophobicContact CB-CE1 4.04Å; I550-F632 HydrophobicContact CB-CE2 3.93Å; I550-F632 HydrophobicContact CB-CZ 3.75Å; I550-F632 HydrophobicContact CG1-CE2 4.31Å; I550-F632 HydrophobicContact CG1-CZ 4.48Å; I550-F632 HydrophobicContact CG2-CE1 3.81Å; I550-F632 HydrophobicContact CG2-CE2 4.18Å; I550-F632 HydrophobicContact CG2-CZ 3.52Å; I550-F632 PolarHBondContact N-O 2.57Å; I550-F632 PolarHBondContact O-N 3.32Å; I550-V634 HydrophobicContact CD1-CG2 4.49Å; I550-V634 HydrophobicContact CG1-CG1 4.13Å; I550-V634 HydrophobicContact CG1-CG2 3.91Å; I550-I985 HydrophobicContact CD1-CB 4.39Å; I550-I985 HydrophobicContact CD1-CG2 4.3Å
551	R	96	Very high	89.5	Confident	51 Å²	51	42.9 Å²	42.9	19%	0.192	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.3	176.6	-68.8	175	51.3	-150.8	-3.9	108.6	E629 I630 V631 R793 E801 E803	R551-E629 IonicContact CZ-OE2 3.82Å; R551-E629 IonicContact NE-OE2 3.42Å; R551-E629 PolarHBondContact NE-OE2 3.05Å; R551-E629 IonicContact NH2-OE1 2.68Å; R551-E629 PolarHBondContact NH2-OE1 3.35Å; R551-E629 IonicContact NH2-OE2 3.04Å; R551-E629 PolarHBondContact NH2-OE2 3.38Å; R551-I630 WeakPolarHBondContact CA-O 3.34Å; R551-V631 HydrophobicContact CG-CB 4.43Å; R551-V631 HydrophobicContact CG-CG1 4.05Å; R551-V631 HydrophobicContact CG-CG2 3.99Å; R551-R793 VanDerWaalsContact CZ-NH2 3.27Å; R551-E801 IonicContact NH1-OE1 3.41Å; R551-E803 IonicContact CZ-OE2 3.25Å; R551-E803 IonicContact NH1-OE2 2.67Å; R551-E803 PolarHBondContact NH1-OE2 2.85Å; R551-E803 IonicContact NH2-OE2 3.15Å; R551-E803 PolarHBondContact NH2-OE2 3.02Å; R551-E803 VanDerWaalsContact NH2-OE2 3.08Å
552	L	97.6	Very high	87.5	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.9	-179.4	-62.6	176.3	0	0	0	110.5	L510 I535 I550 E629 I630 F632 F989	L510-L552 HydrophobicContact CD2-CD2 4.12Å; I535-L552 HydrophobicContact CD1-CD1 3.51Å; I535-L552 HydrophobicContact CG1-CD1 4.03Å; I535-L552 HydrophobicContact CG2-CD1 4.16Å; I550-L552 HydrophobicContact CG2-CD1 4.26Å; I550-L552 HydrophobicContact CG2-CD2 4.25Å; I550-L552 HydrophobicContact CG2-CG 3.91Å; L552-E629 CarbonylContact O-C 3.3Å; L552-E629 VanDerWaalsContact O-CA 3.22Å; L552-E629 WeakPolarHBondContact O-CA 3.46Å; L552-I630 HydrophobicContact CB-CG2 3.89Å; L552-I630 PolarHBondContact N-O 3.26Å; L552-I630 WeakPolarHBondContact O-CG2 3.44Å; L552-I630 PolarHBondContact O-N 2.81Å; L552-F632 HydrophobicContact CD1-CE1 4Å; L552-F632 HydrophobicContact CD1-CZ 4.11Å; L552-F632 HydrophobicContact CG-CE1 4.37Å; L552-F989 HydrophobicContact CD1-CE1 3.89Å; L552-F989 HydrophobicContact CD1-CZ 4.31Å; L552-F989 HydrophobicContact CD2-CE1 4.05Å; L552-F989 HydrophobicContact CD2-CZ 3.6Å
553	P	97.1	Very high	85.8	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.013	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	141.8	177.7	32.6	-36.3	0	0	0	111	L510 S513 C515 T518 I609 A626 Y628	L510-P553 HydrophobicContact CD2-CG 4.15Å; S513-P553 WeakPolarHBondContact O-CB 3.38Å; S513-P553 WeakPolarHBondContact O-CG 3.08Å; C515-P553 HydrophobicContact CB-CG 3.67Å; T518-P553 WeakPolarHBondContact CB-O 3.3Å; T518-P553 PolarHBondContact OG1-O 2.89Å; P553-I609 HydrophobicContact CB-CD1 4.42Å; P553-A626 HydrophobicContact CB-CB 3.94Å; P553-Y628 CarbonylContact C-O 3.5Å; P553-Y628 WeakPolarHBondContact CA-O 3.28Å
554	I	95.7	Very high	84.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.7	173.7	61.7	168.4	0	0	0	110	I556 L606 A626 N627 Y628 I630 L647 L649	I554-I556 HydrophobicContact CD1-CD1 4.12Å; I554-I556 HydrophobicContact CD1-CG1 4.15Å; I554-I556 HydrophobicContact CG1-CG1 4.46Å; I554-L606 HydrophobicContact CD1-CD2 3.61Å; I554-A626 WeakPolarHBondContact O-CA 3.23Å; I554-N627 PolarHBondContact O-N 2.97Å; I554-N627 PolarHBondContact O-OD1 3.34Å; I554-Y628 PolarHBondContact N-O 3.21Å; I554-Y628 PolarHBondContact O-N 2.9Å; I554-Y628 VanDerWaalsContact O-N 3.09Å; I554-Y628 VanDerWaalsContact O-O 3.09Å; I554-I630 HydrophobicContact CD1-CB 4.39Å; I554-I630 HydrophobicContact CG2-CG2 4.17Å; I554-L647 HydrophobicContact CG2-CD2 4.16Å; I554-L649 HydrophobicContact CD1-CD2 4.44Å
555	Y	93.2	Very high	84.1	Confident	55 Å²	55	49.4 Å²	49.4	22%	0.216	26%	0.257	C	S	.	.			trans	-98.7	128.1	171.8	176.9	-126.9	0	0	0	111.3	L521 P557 L625 N627	L521-Y555 HydrophobicContact CD2-CD1 4.2Å; L521-Y555 HydrophobicContact CD2-CE1 4.33Å; Y555-P557 HydrophobicContact CD1-CG 4.14Å; Y555-P557 HydrophobicContact CE1-CB 4.12Å; Y555-P557 HydrophobicContact CE1-CG 3.6Å; Y555-L625 HydrophobicContact CD1-CB 4.09Å; Y555-L625 HydrophobicContact CD1-CD1 4.23Å; Y555-L625 HydrophobicContact CD2-CB 3.7Å; Y555-L625 WeakPolarHBondContact CD2-O 3.48Å; Y555-L625 HydrophobicContact CE1-CB 4.34Å; Y555-L625 HydrophobicContact CE1-CD1 4.02Å; Y555-L625 HydrophobicContact CE2-CB 3.98Å; Y555-L625 HydrophobicContact CG-CB 3.74Å; Y555-N627 WeakPolarHBondContact CA-OD1 3.43Å
556	I	89.7	Confident	83.8	Confident	20 Å²	20	52.6 Å²	52.6	10%	0.103	27%	0.272	C	S	.	.			trans	-119.7	110.9	170	-58.6	179.9	0	0	0	107.2	I554 L565 L606 N627 Y628	I554-I556 HydrophobicContact CD1-CD1 4.12Å; I554-I556 HydrophobicContact CD1-CG1 4.15Å; I554-I556 HydrophobicContact CG1-CG1 4.46Å; I556-L565 HydrophobicContact CD1-CD2 3.77Å; I556-L565 HydrophobicContact CG1-CD2 3.92Å; I556-L565 HydrophobicContact CG2-CD2 4.08Å; I556-L606 HydrophobicContact CD1-CD1 3.67Å; I556-L606 HydrophobicContact CD1-CD2 4.4Å; I556-N627 PolarHBondContact N-OD1 2.67Å; I556-N627 PolarHBondContact O-ND2 3.01Å; I556-N627 PolarHBondContact O-OD1 2.95Å; I556-Y628 HydrophobicContact CB-CD2 3.88Å; I556-Y628 HydrophobicContact CB-CE2 4.19Å; I556-Y628 HydrophobicContact CD1-CD1 4.4Å; I556-Y628 HydrophobicContact CD1-CD2 3.81Å; I556-Y628 HydrophobicContact CD1-CE2 4.36Å; I556-Y628 HydrophobicContact CD1-CG 3.85Å; I556-Y628 HydrophobicContact CG1-CD2 4.03Å; I556-Y628 HydrophobicContact CG1-CG 4.41Å
557	P	85.1	Confident	83.9	Confident	24 Å²	24	48.8 Å²	48.8	16%	0.156	25%	0.252	C	S	.	.			trans	-63.3	142.2	179.4	-17.2	28	0	0	0	111.5	L521 Y555 N559 Y560	L521-P557 HydrophobicContact CD2-CG 4.44Å; Y555-P557 HydrophobicContact CD1-CG 4.14Å; Y555-P557 HydrophobicContact CE1-CB 4.12Å; Y555-P557 HydrophobicContact CE1-CG 3.6Å; P557-N559 PolarHBondContact O-N 2.93Å; P557-Y560 HydrophobicContact CB-CD2 3.8Å; P557-Y560 HydrophobicContact CB-CE2 4.03Å; P557-Y560 HydrophobicContact CG-CD2 3.78Å; P557-Y560 HydrophobicContact CG-CE2 3.61Å; P557-Y560 PolarHBondContact O-N 3.11Å
558	E	79	Confident	84	Confident	187 Å²	187	48.5 Å²	48.5	87%	0.874	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.7	-177.9	-63	-177.5	171.6	0	0	113.6	Y560	E558-Y560 VanDerWaalsContact C-N 3.25Å; E558-Y560 PolarHBondContact O-N 2.99Å
559	N	72.3	Confident	84	Confident	156 Å²	156	47.3 Å²	47.3	83%	0.834	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-5.8	-179.6	-66.4	-15.2	0	0	0	114.3	P557	P557-N559 PolarHBondContact O-N 2.93Å
560	Y	66.2	Low	83.8	Confident	41 Å²	41	47.8 Å²	47.8	16%	0.161	24%	0.244	C	C	.	.			trans	-81.9	120.3	176	-81.5	-115.2	0	0	0	109.4	Q524 P557 E558 D564 L565 K651	Q524-Y560 PolarHBondContact NE2-OH 3.43Å; Q524-Y560 VanDerWaalsContact NE2-OH 3.14Å; P557-Y560 HydrophobicContact CB-CD2 3.8Å; P557-Y560 HydrophobicContact CB-CE2 4.03Å; P557-Y560 HydrophobicContact CG-CD2 3.78Å; P557-Y560 HydrophobicContact CG-CE2 3.61Å; P557-Y560 PolarHBondContact O-N 3.11Å; E558-Y560 VanDerWaalsContact C-N 3.25Å; E558-Y560 PolarHBondContact O-N 2.99Å; Y560-D564 HydrophobicContact CD1-CB 4.21Å; Y560-L565 HydrophobicContact CD1-CB 3.88Å; Y560-L565 HydrophobicContact CD1-CD1 3.94Å; Y560-L565 HydrophobicContact CD1-CG 4.48Å; Y560-L565 HydrophobicContact CE1-CD1 3.84Å; Y560-K651 HydrophobicContact CE1-CB 4.04Å; Y560-K651 HydrophobicContact CE1-CD 4.28Å; Y560-K651 HydrophobicContact CE1-CG 3.76Å; Y560-K651 WeakPolarHBondContact OH-CD 3.39Å
561	S	60.4	Low	83.5	Confident	73 Å²	73	47.3 Å²	47.3	51%	0.51	24%	0.242	S	C	.	.			trans	-69.1	151.8	160.7	-55.1	0	0	0	0	108.2	N563 D564	S561-N563 PolarHBondContact O-N 3.42Å; S561-D564 VanDerWaalsContact CB-OD2 3.22Å; S561-D564 WeakPolarHBondContact CB-OD2 3.47Å; S561-D564 PolarHBondContact N-OD2 3.02Å; S561-D564 WeakPolarHBondContact O-CB 3.49Å; S561-D564 PolarHBondContact O-N 3.25Å; S561-D564 PolarHBondContact OG-OD2 2.86Å
562	S	56.8	Low	83.2	Confident	39 Å²	39	44.9 Å²	44.9	27%	0.273	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-21.1	177.6	55.6	0	0	0	0	114.9	P683	S562-P683 WeakPolarHBondContact OG-CB 3.23Å
563	N	60.5	Low	82.5	Confident	135 Å²	135	47.6 Å²	47.6	72%	0.722	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-12.3	176.1	-65.5	-11.1	0	0	0	113.3	S561 T652	S561-N563 PolarHBondContact O-N 3.42Å; N563-T652 PolarHBondContact O-OG1 2.86Å
564	D	72.2	Confident	81.6	Confident	38 Å²	38	52.5 Å²	52.5	20%	0.203	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-14.4	-176	-66.4	-45.1	0	0	0	113.7	Y560 S561 K651 T652 T653	Y560-D564 HydrophobicContact CD1-CB 4.21Å; S561-D564 VanDerWaalsContact CB-OD2 3.22Å; S561-D564 WeakPolarHBondContact CB-OD2 3.47Å; S561-D564 PolarHBondContact N-OD2 3.02Å; S561-D564 WeakPolarHBondContact O-CB 3.49Å; S561-D564 PolarHBondContact O-N 3.25Å; S561-D564 PolarHBondContact OG-OD2 2.86Å; D564-K651 WeakPolarHBondContact O-CA 3.1Å; D564-T652 VanDerWaalsContact C-OG1 3.29Å; D564-T652 WeakPolarHBondContact CA-OG1 3.09Å; D564-T652 PolarHBondContact O-N 2.87Å; D564-T652 PolarHBondContact O-OG1 3.11Å; D564-T652 VanDerWaalsContact O-OG1 3.09Å; D564-T653 PolarHBondContact OD1-OG1 2.82Å
565	L	82.2	Confident	80.3	Confident	26 Å²	26	53.2 Å²	53.2	14%	0.136	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.1	-178.5	-172.2	69	0	0	0	111	I556 Y560 V567 L649	I556-L565 HydrophobicContact CD1-CD2 3.77Å; I556-L565 HydrophobicContact CG1-CD2 3.92Å; I556-L565 HydrophobicContact CG2-CD2 4.08Å; Y560-L565 HydrophobicContact CD1-CB 3.88Å; Y560-L565 HydrophobicContact CD1-CD1 3.94Å; Y560-L565 HydrophobicContact CD1-CG 4.48Å; Y560-L565 HydrophobicContact CE1-CD1 3.84Å; L565-V567 HydrophobicContact CD2-CG2 4.26Å; L565-V567 HydrophobicContact CG-CG2 4.41Å; L565-L649 HydrophobicContact CD1-CB 4.09Å; L565-L649 HydrophobicContact CD1-CD2 4.45Å
566	Q	87.8	Confident	78.7	Confident	83 Å²	83	53.5 Å²	53.5	39%	0.388	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116	167.3	176.6	-174.2	34.6	0	0	109.5	I568 N650 T652	Q566-I568 HydrophobicContact CG-CG1 4.22Å; Q566-N650 HydrophobicContact CB-CB 4.18Å; Q566-N650 PolarHBondContact N-O 3.43Å; Q566-N650 PolarHBondContact O-N 3.36Å; Q566-N650 PolarHBondContact OE1-ND2 3.41Å; Q566-N650 VanDerWaalsContact OE1-ND2 3.15Å; Q566-T652 HydrophobicContact CB-CG2 4.15Å
567	V	91.7	Very high	77	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.1	171	-174.9	0	0	0	0	109.4	L565 N601 Y604 L606 I630 L647 L649	L565-V567 HydrophobicContact CD2-CG2 4.26Å; L565-V567 HydrophobicContact CG-CG2 4.41Å; V567-N601 PolarHBondContact O-ND2 2.82Å; V567-Y604 HydrophobicContact CB-CE1 3.97Å; V567-Y604 HydrophobicContact CB-CE2 3.92Å; V567-Y604 WeakPolarHBondContact CB-OH 3.3Å; V567-Y604 HydrophobicContact CG1-CE1 4.2Å; V567-Y604 HydrophobicContact CG1-CE2 4.22Å; V567-Y604 HydrophobicContact CG2-CE2 3.9Å; V567-L606 HydrophobicContact CG2-CD1 4.36Å; V567-I630 HydrophobicContact CG1-CD1 3.69Å; V567-L647 HydrophobicContact CG1-CD1 3.85Å; V567-L649 HydrophobicContact CB-CD2 4.24Å; V567-L649 HydrophobicContact CG1-CD2 4.07Å; V567-L649 HydrophobicContact CG2-CD2 3.84Å
568	I	92.8	Very high	75.3	Confident	16 Å²	16	58 Å²	58	8%	0.082	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	104	175.1	-56.6	171.3	0	0	0	107	L525 Q566 K570 N601 Y646 L647 A648 N650	L525-I568 HydrophobicContact CD1-CD1 3.86Å; Q566-I568 HydrophobicContact CG-CG1 4.22Å; I568-K570 HydrophobicContact CG2-CD 4.46Å; I568-K570 HydrophobicContact CG2-CG 4.18Å; I568-N601 WeakPolarHBondContact CA-OD1 3.31Å; I568-Y646 HydrophobicContact CG2-CD1 4.21Å; I568-Y646 HydrophobicContact CG2-CE1 4.06Å; I568-L647 CarbonylContact O-C 3.59Å; I568-L647 VanDerWaalsContact O-CA 3.25Å; I568-L647 WeakPolarHBondContact O-CA 3.16Å; I568-A648 HydrophobicContact CB-CB 4.36Å; I568-A648 PolarHBondContact N-O 3.43Å; I568-A648 PolarHBondContact O-N 3.33Å; I568-N650 HydrophobicContact CD1-CB 4.27Å
569	L	94.3	Very high	73.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.1	175.4	179.1	66.7	0	0	0	108.6	I535 N601 L602 I630 F632 Y646 L647	I535-L569 HydrophobicContact CD1-CD1 4.14Å; L569-N601 PolarHBondContact N-OD1 2.89Å; L569-N601 CarbonylContact O-C 3.48Å; L569-N601 WeakPolarHBondContact O-CA 3.34Å; L569-N601 PolarHBondContact O-OD1 3.37Å; L569-L602 HydrophobicContact CD2-CB 3.95Å; L569-L602 HydrophobicContact CD2-CD1 4.34Å; L569-L602 HydrophobicContact CG-CB 4.04Å; L569-L602 HydrophobicContact CG-CD1 4.16Å; L569-L602 PolarHBondContact O-N 2.85Å; L569-I630 HydrophobicContact CD2-CD1 4.02Å; L569-F632 HydrophobicContact CD1-CE1 4.49Å; L569-F632 HydrophobicContact CD1-CZ 4.37Å; L569-F632 HydrophobicContact CD2-CB 3.73Å; L569-F632 HydrophobicContact CD2-CD1 3.73Å; L569-F632 HydrophobicContact CD2-CD2 3.89Å; L569-F632 HydrophobicContact CD2-CE1 4.27Å; L569-F632 HydrophobicContact CD2-CE2 4.4Å; L569-F632 HydrophobicContact CD2-CG 3.52Å; L569-Y646 CarbonylContact C-O 3.59Å; L569-Y646 VanDerWaalsContact CA-O 3.29Å; L569-Y646 WeakPolarHBondContact CA-O 3.42Å; L569-L647 HydrophobicContact CB-CD1 4.5Å; L569-L647 HydrophobicContact CD1-CB 4.24Å; L569-L647 HydrophobicContact CD1-CD1 4.33Å
570	K	92.3	Very high	71.9	Confident	39 Å²	39	50.1 Å²	50.1	17%	0.17	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.5	-176.6	-61.3	-166.8	-175.8	164.1	0	112	I568 L575 F645 Y646	I568-K570 HydrophobicContact CG2-CD 4.46Å; I568-K570 HydrophobicContact CG2-CG 4.18Å; K570-L575 HydrophobicContact CD-CD2 4.35Å; K570-F645 CarbonylContact O-C 3.6Å; K570-F645 WeakPolarHBondContact O-CA 3.46Å; K570-F645 WeakPolarHBondContact O-CB 3.44Å; K570-Y646 PolarHBondContact N-O 3.33Å; K570-Y646 PolarHBondContact O-N 3.21Å
571	D	90.8	Very high	70.3	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.027	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	111.6	161.2	-173.8	-15.1	0	0	0	108.8	R573 Q574 L602 F645	D571-R573 PolarHBondContact O-N 3.11Å; D571-R573 VanDerWaalsContact OD1-CB 3.25Å; D571-R573 WeakPolarHBondContact OD1-CB 3.18Å; D571-R573 WeakPolarHBondContact OD1-CG 3.28Å; D571-R573 IonicContact OD1-CZ 3.48Å; D571-R573 PolarHBondContact OD1-N 2.76Å; D571-R573 IonicContact OD1-NE 3.36Å; D571-R573 PolarHBondContact OD1-NE 2.91Å; D571-R573 IonicContact OD1-NH2 2.68Å; D571-R573 IonicContact OD2-CZ 3.74Å; D571-R573 IonicContact OD2-NE 2.85Å; D571-R573 PolarHBondContact OD2-NE 3.48Å; D571-R573 IonicContact OD2-NH2 3.67Å; D571-R573 PolarHBondContact OD2-NH2 3.02Å; D571-Q574 HydrophobicContact CB-CB 4.38Å; D571-Q574 HydrophobicContact CB-CG 4.05Å; D571-Q574 PolarHBondContact O-N 3.2Å; D571-Q574 VanDerWaalsContact O-N 3.1Å; D571-Q574 PolarHBondContact OD2-NE2 3.1Å; D571-L602 HydrophobicContact CB-CD1 4.06Å; D571-L602 HydrophobicContact CB-CD2 4.05Å; D571-L602 HydrophobicContact CB-CG 4.19Å; D571-F645 HydrophobicContact CB-CD1 3.9Å; D571-F645 HydrophobicContact CB-CE1 3.82Å
572	L	89.4	Confident	68.9	Low	0 Å²	0	54.4 Å²	54.4	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-69.9	-14.5	-174.7	-60.5	179.8	0	0	0	112.6	F534 Q574 L575 L644 P996	F534-L572 HydrophobicContact CD1-CD1 3.85Å; F534-L572 HydrophobicContact CE1-CD1 3.78Å; L572-Q574 VanDerWaalsContact C-N 3.3Å; L572-L575 HydrophobicContact CB-CD1 4.39Å; L572-L575 HydrophobicContact CD2-CD1 3.75Å; L572-L644 HydrophobicContact CB-CB 4.31Å; L572-L644 WeakPolarHBondContact CB-O 3.4Å; L572-L644 HydrophobicContact CD1-CB 4.11Å; L572-L644 PolarHBondContact N-O 3.47Å; L572-P996 HydrophobicContact CD1-CG 4.2Å; L572-P996 HydrophobicContact CD2-CB 4.48Å; L572-P996 HydrophobicContact CD2-CG 4.19Å
573	R	83	Confident	67.6	Low	58 Å²	58	57.5 Å²	57.5	22%	0.219	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-76.8	-18	175.4	-53.8	167.7	-65.9	163.4	15	112.4	D571 K635 L636 S643	D571-R573 PolarHBondContact O-N 3.11Å; D571-R573 VanDerWaalsContact OD1-CB 3.25Å; D571-R573 WeakPolarHBondContact OD1-CB 3.18Å; D571-R573 WeakPolarHBondContact OD1-CG 3.28Å; D571-R573 IonicContact OD1-CZ 3.48Å; D571-R573 PolarHBondContact OD1-N 2.76Å; D571-R573 IonicContact OD1-NE 3.36Å; D571-R573 PolarHBondContact OD1-NE 2.91Å; D571-R573 IonicContact OD1-NH2 2.68Å; D571-R573 IonicContact OD2-CZ 3.74Å; D571-R573 IonicContact OD2-NE 2.85Å; D571-R573 PolarHBondContact OD2-NE 3.48Å; D571-R573 IonicContact OD2-NH2 3.67Å; D571-R573 PolarHBondContact OD2-NH2 3.02Å; R573-K635 PolarHBondContact NH1-O 2.82Å; R573-K635 PolarHBondContact NH2-O 3.39Å; R573-L636 PolarHBondContact NH1-O 3.19Å; R573-S643 PolarHBondContact NH1-OG 2.59Å; R573-S643 VanDerWaalsContact NH1-OG 3.07Å
574	Q	77.5	Confident	66	Low	105 Å²	105	56 Å²	56	49%	0.491	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-102.3	9.3	-178	-59.5	-178.8	25.1	0	0	113.3	D571 L572 N600	D571-Q574 HydrophobicContact CB-CB 4.38Å; D571-Q574 HydrophobicContact CB-CG 4.05Å; D571-Q574 PolarHBondContact O-N 3.2Å; D571-Q574 VanDerWaalsContact O-N 3.1Å; D571-Q574 PolarHBondContact OD2-NE2 3.1Å; L572-Q574 VanDerWaalsContact C-N 3.3Å; Q574-N600 PolarHBondContact O-ND2 2.66Å
575	L	68.7	Low	63.9	Low	15 Å²	15	59.9 Å²	59.9	8%	0.079	38%	0.378	C	S	.	.	S	Bend	trans	-67.1	158.7	177	-70.3	174	0	0	0	111.4	K570 L572 P996 S998 I999	K570-L575 HydrophobicContact CD-CD2 4.35Å; L572-L575 HydrophobicContact CB-CD1 4.39Å; L572-L575 HydrophobicContact CD2-CD1 3.75Å; L575-P996 HydrophobicContact CD1-CB 4.4Å; L575-S998 WeakPolarHBondContact CD1-O 3.41Å; L575-I999 HydrophobicContact CB-CG1 4.1Å; L575-I999 WeakPolarHBondContact O-CD1 3.47Å; L575-I999 WeakPolarHBondContact O-CG1 3.26Å
576	P	61.1	Low	61.3	Low	61 Å²	61	64.3 Å²	64.3	40%	0.396	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-69.6	142.7	174	-14.7	28.7	0	0	0	111.9	I999	P576-I999 PolarHBondContact O-N 2.84Å
577	S	52.2	Low	58.4	Low	58 Å²	58	65 Å²	65	41%	0.406	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-67.1	133	168.9	52.6	0	0	0	0	109.8	S579 S580	S577-S579 PolarHBondContact O-N 3.46Å; S577-S580 PolarHBondContact O-N 3.35Å; S577-S580 VanDerWaalsContact O-N 3.11Å; S577-S580 PolarHBondContact O-OG 3.12Å
578	S	49.3	Very low	55.4	Low	80 Å²	80	70.1 Å²	70.1	56%	0.559	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-56.3	-22.8	-177.1	51.2	0	0	0	0	113.7	S580 S581	S578-S580 PolarHBondContact O-N 3.45Å; S578-S581 PolarHBondContact O-N 3.01Å; S578-S581 PolarHBondContact O-OG 3.14Å
579	S	41.2	Very low	52.3	Low	87 Å²	87	74.7 Å²	74.7	61%	0.608	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-69.1	-11.1	178.6	58	0	0	0	0	115	S577 S581	S577-S579 PolarHBondContact O-N 3.46Å; S579-S581 VanDerWaalsContact C-N 3.3Å
580	S	38.6	Very low	49	Very low	90 Å²	90	87.1 Å²	87.1	63%	0.629	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-83.1	-2.6	177.7	58.3	0	0	0	0	114.3	S577 S578	S577-S580 PolarHBondContact O-N 3.35Å; S577-S580 VanDerWaalsContact O-N 3.11Å; S577-S580 PolarHBondContact O-OG 3.12Å; S578-S580 PolarHBondContact O-N 3.45Å
581	S	34.6	Very low	45.9	Very low	108 Å²	108	88.9 Å²	88.9	76%	0.755	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-102.3	3.7	-179	64.8	0	0	0	0	115.2	S578 S579	S578-S581 PolarHBondContact O-N 3.01Å; S578-S581 PolarHBondContact O-OG 3.14Å; S579-S581 VanDerWaalsContact C-N 3.3Å
582	S	30.7	Very low	42.9	Very low	96 Å²	96	97.3 Å²	97.3	67%	0.671	59%	0.592	S	S	*	*			trans	-125.1	67	-178.8	67.3	0	0	0	0	113.2
583	S	28	Very low	39.8	Very low	105 Å²	105	101.8 Å²	101.8	73%	0.734	62%	0.62	S	S	*	*	S	Bend	trans	-160.5	125.5	153.3	56.4	0	0	0	0	113.1
584	S	28.6	Very low	37.1	Very low	102 Å²	102	103.2 Å²	103.2	71%	0.713	64%	0.638	S	S	*	*			trans	69	91.1	157.4	60.1	0	0	0	0	119.5	T586	S584-T586 PolarHBondContact O-N 2.85Å
585	S	27.3	Very low	34.8	Very low	121 Å²	121	102.6 Å²	102.6	85%	0.846	65%	0.646	S	S	*	*			trans	-52.6	102.4	141.2	50	0	0	0	0	112
586	T	26.6	Very low	32.8	Very low	118 Å²	118	112.1 Å²	112.1	72%	0.724	68%	0.681	S	S	*	*			trans	-158.7	113.9	155.6	12	0	0	0	0	110.9	S584	S584-T586 PolarHBondContact O-N 2.85Å
587	S	28.3	Very low	31.4	Very low	99 Å²	99	115.3 Å²	115.3	69%	0.692	69%	0.694	S	S	*	*			trans	27	123.1	147.5	57.5	0	0	0	0	120.8
588	S	27.6	Very low	30.9	Very low	110 Å²	110	119.4 Å²	119.4	77%	0.769	71%	0.71	S	S	*	*			trans	62.6	86.1	139	65.2	0	0	0	0	118.8
589	S	28.5	Very low	31.3	Very low	111 Å²	111	121.1 Å²	121.1	78%	0.776	71%	0.714	S	S	*	*				-170.5	120.6	124	45.5	0	0	0	0	108.9	S591	S589-S591 VanDerWaalsContact C-N 3.25Å; S589-S591 PolarHBondContact O-N 3.23Å
590	R	24	Very low	32.9	Very low	262 Å²	262	119.4 Å²	119.4	99%	0.989	70%	0.698	S	S	*	*			trans	-66.9	83.1	172.1	-93.4	173	166.6	168.4	-4.5	108.5
591	S	27.3	Very low	35.3	Very low	76 Å²	76	117.4 Å²	117.4	53%	0.531	68%	0.68	S	S	.	*			trans	-85.1	120.6	160.1	60.6	0	0	0	0	108.3	S589 T593	S589-S591 VanDerWaalsContact C-N 3.25Å; S589-S591 PolarHBondContact O-N 3.23Å; S591-T593 PolarHBondContact O-N 3.45Å; S591-T593 PolarHBondContact OG-OG1 3.45Å
592	Q	27.4	Very low	38	Very low	181 Å²	181	113.5 Å²	113.5	85%	0.846	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	25.2	178.6	-69.4	174.1	-28.4	0	0	114.4
593	T	26.2	Very low	40.9	Very low	94 Å²	94	112.1 Å²	112.1	58%	0.577	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-15.1	-179.6	32.5	0	0	0	0	113.4	S591	S591-T593 PolarHBondContact O-N 3.45Å; S591-T593 PolarHBondContact OG-OG1 3.45Å
594	S	26.3	Very low	44	Very low	88 Å²	88	109.3 Å²	109.3	62%	0.615	61%	0.607	S	S	*	*	S	Bend	trans	-81	-17.8	-179.4	-167.7	0	0	0	0	114.5
595	S	27.9	Very low	47.2	Very low	93 Å²	93	105.1 Å²	105.1	65%	0.65	58%	0.576	S	S	*	*	S	Bend	trans	-83.2	-15.8	178.3	63	0	0	0	0	114.3
596	R	27.7	Very low	50.4	Low	215 Å²	215	101.7 Å²	101.7	81%	0.811	55%	0.548	S	S	*	.	S	Bend	trans	-80.9	-22	179.3	-75	-173.1	179.7	-179.1	-0.4	113.9
597	L	31.7	Very low	53.7	Low	127 Å²	127	96.1 Å²	96.1	67%	0.665	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.9	-178.3	-77.8	156.6	0	0	0	114.1
598	L	40.9	Very low	56.9	Low	144 Å²	144	93.6 Å²	93.6	75%	0.754	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-6	-174.2	-98	141.1	0	0	0	114.6
599	N	57.6	Low	60.2	Low	117 Å²	117	88.9 Å²	88.9	63%	0.626	46%	0.461	S	S	*	.			trans	-121.7	66.2	179.9	-146.9	14.9	0	0	0	111.8	N601	N599-N601 PolarHBondContact O-N 3.19Å
600	N	75.2	Confident	63.3	Low	51 Å²	51	84.4 Å²	84.4	27%	0.273	43%	0.429	S	S	.	.			trans	-72.9	38.8	172	-69.9	4.4	0	0	0	112.3	Q574	Q574-N600 PolarHBondContact O-ND2 2.66Å
601	N	88.3	Confident	66.6	Low	48 Å²	48	78.9 Å²	78.9	26%	0.257	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-76.3	128.2	175.3	-146.8	46.9	0	0	0	108.2	V567 I568 L569 N599	V567-N601 PolarHBondContact O-ND2 2.82Å; I568-N601 WeakPolarHBondContact CA-OD1 3.31Å; L569-N601 PolarHBondContact N-OD1 2.89Å; L569-N601 CarbonylContact O-C 3.48Å; L569-N601 WeakPolarHBondContact O-CA 3.34Å; L569-N601 PolarHBondContact O-OD1 3.37Å; N599-N601 PolarHBondContact O-N 3.19Å
602	L	91.4	Very high	69.7	Low	25 Å²	25	76.3 Å²	76.3	13%	0.131	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-62.2	146.3	171.9	-72.9	177.7	0	0	0	109.8	L569 D571 Y604 F632 F645	L569-L602 HydrophobicContact CD2-CB 3.95Å; L569-L602 HydrophobicContact CD2-CD1 4.34Å; L569-L602 HydrophobicContact CG-CB 4.04Å; L569-L602 HydrophobicContact CG-CD1 4.16Å; L569-L602 PolarHBondContact O-N 2.85Å; D571-L602 HydrophobicContact CB-CD1 4.06Å; D571-L602 HydrophobicContact CB-CD2 4.05Å; D571-L602 HydrophobicContact CB-CG 4.19Å; L602-Y604 WeakPolarHBondContact O-CD1 3.46Å; L602-F632 HydrophobicContact CD1-CD2 4.43Å; L602-F645 HydrophobicContact CD1-CD1 3.71Å; L602-F645 HydrophobicContact CD1-CE1 3.93Å
603	E	91.6	Very high	72.9	Confident	67 Å²	67	67.7 Å²	67.7	31%	0.313	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-67.1	132.9	169.3	-169.2	176.3	-168.6	0	0	109.4	F632	E603-F632 WeakPolarHBondContact O-CB 3.36Å
604	Y	94.4	Very high	76.2	Confident	47 Å²	47	66.2 Å²	66.2	18%	0.184	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	164.4	179.6	67.9	-89.7	0	0	0	110.3	V567 L602 L606 I630 V631 C776	V567-Y604 HydrophobicContact CB-CE1 3.97Å; V567-Y604 HydrophobicContact CB-CE2 3.92Å; V567-Y604 WeakPolarHBondContact CB-OH 3.3Å; V567-Y604 HydrophobicContact CG1-CE1 4.2Å; V567-Y604 HydrophobicContact CG1-CE2 4.22Å; V567-Y604 HydrophobicContact CG2-CE2 3.9Å; L602-Y604 WeakPolarHBondContact O-CD1 3.46Å; Y604-L606 HydrophobicContact CD2-CD2 4.4Å; Y604-L606 HydrophobicContact CD2-CG 4.23Å; Y604-L606 HydrophobicContact CE2-CD1 4.4Å; Y604-L606 HydrophobicContact CE2-CD2 4.47Å; Y604-L606 HydrophobicContact CE2-CG 4.04Å; Y604-I630 HydrophobicContact CD2-CD1 4.01Å; Y604-I630 HydrophobicContact CD2-CG1 4Å; Y604-I630 HydrophobicContact CG-CD1 3.97Å; Y604-I630 HydrophobicContact CG-CG1 4.14Å; Y604-V631 CarbonylContact C-O 3.58Å; Y604-V631 WeakPolarHBondContact CA-O 3.08Å; Y604-C776 VanDerWaalsContact C-SG 3.58Å
605	Q	95.5	Very high	79.3	Confident	13 Å²	13	65.7 Å²	65.7	6%	0.061	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135.7	172.1	-179.8	172.6	-27.4	0	0	109.5	V607 V631 G774 C776 V777	Q605-V607 HydrophobicContact CG-CG2 4.14Å; Q605-V631 PolarHBondContact N-O 3.36Å; Q605-V631 PolarHBondContact O-N 3.03Å; Q605-G774 VanDerWaalsContact OE1-CA 3.32Å; Q605-C776 HydrophobicContact CB-CB 3.75Å; Q605-V777 PolarHBondContact NE2-O 3.45Å; Q605-V777 PolarHBondContact OE1-O 2.62Å
606	L	94.8	Very high	82.6	Confident	49 Å²	49	61.3 Å²	61.3	26%	0.257	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126.1	172.5	-64.7	175.2	0	0	0	109	I554 I556 V567 Y604 Y628 E629 I630	I554-L606 HydrophobicContact CD1-CD2 3.61Å; I556-L606 HydrophobicContact CD1-CD1 3.67Å; I556-L606 HydrophobicContact CD1-CD2 4.4Å; V567-L606 HydrophobicContact CG2-CD1 4.36Å; Y604-L606 HydrophobicContact CD2-CD2 4.4Å; Y604-L606 HydrophobicContact CD2-CG 4.23Å; Y604-L606 HydrophobicContact CE2-CD1 4.4Å; Y604-L606 HydrophobicContact CE2-CD2 4.47Å; Y604-L606 HydrophobicContact CE2-CG 4.04Å; L606-Y628 HydrophobicContact CB-CD1 4.19Å; L606-E629 WeakPolarHBondContact CA-O 3.46Å; L606-I630 HydrophobicContact CD2-CB 3.98Å; L606-I630 HydrophobicContact CD2-CG1 4.16Å
607	V	95.9	Very high	85.8	Confident	1 Å²	1	52 Å²	52	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.1	-179.6	177.9	0	0	0	0	108.4	Q605 I609 Y628 E629 V631 I772 V777 E779	Q605-V607 HydrophobicContact CG-CG2 4.14Å; V607-I609 PolarHBondContact O-N 2.97Å; V607-Y628 CarbonylContact O-C 3.58Å; V607-Y628 WeakPolarHBondContact O-CA 3.41Å; V607-E629 PolarHBondContact N-O 3.46Å; V607-E629 PolarHBondContact O-N 3.31Å; V607-V631 HydrophobicContact CB-CG2 4.27Å; V607-V631 HydrophobicContact CG2-CG2 3.7Å; V607-I772 HydrophobicContact CG1-CD1 3.98Å; V607-V777 HydrophobicContact CG2-CG1 4.3Å; V607-E779 VanDerWaalsContact CG1-OE2 3.28Å; V607-E779 WeakPolarHBondContact CG1-OE2 3.33Å
608	P	95.4	Very high	88.6	Confident	46 Å²	46	48.6 Å²	48.6	30%	0.299	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	136.3	174.5	25.4	-35	0	0	0	110.9	T610 Y628 I772	P608-T610 PolarHBondContact O-N 3.43Å; P608-Y628 HydrophobicContact CB-CD1 4.28Å; P608-Y628 HydrophobicContact CB-CE1 3.98Å; P608-I772 HydrophobicContact CG-CD1 3.82Å
609	I	95.7	Very high	91.1	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.056	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-64.1	134.6	172.7	-65.8	172.4	0	0	0	108.3	P553 V607 T613 L614 A626 N627 E629	P553-I609 HydrophobicContact CB-CD1 4.42Å; V607-I609 PolarHBondContact O-N 2.97Å; I609-T613 HydrophobicContact CG2-CG2 3.53Å; I609-L614 HydrophobicContact CB-CD2 4.12Å; I609-L614 HydrophobicContact CB-CG 4.28Å; I609-L614 HydrophobicContact CG2-CD2 3.83Å; I609-L614 HydrophobicContact CG2-CG 3.86Å; I609-A626 WeakPolarHBondContact CD1-O 3.47Å; I609-N627 PolarHBondContact N-O 3.39Å; I609-E629 HydrophobicContact CD1-CG 4.36Å; I609-E629 HydrophobicContact CG1-CG 3.86Å
610	T	94.7	Very high	92.7	Very high	17 Å²	17	42.6 Å²	42.6	10%	0.104	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-62.3	144.8	-177.8	64.5	0	0	0	0	111.6	P608 R612 T613 L614 V791	P608-T610 PolarHBondContact O-N 3.43Å; T610-R612 PolarHBondContact O-N 3Å; T610-R612 VanDerWaalsContact O-N 3.15Å; T610-T613 WeakPolarHBondContact O-CA 3.48Å; T610-T613 WeakPolarHBondContact O-CB 3.38Å; T610-T613 PolarHBondContact O-N 3.28Å; T610-T613 WeakPolarHBondContact OG1-CB 3.38Å; T610-T613 PolarHBondContact OG1-N 3.01Å; T610-T613 PolarHBondContact OG1-OG1 3.42Å; T610-L614 PolarHBondContact O-N 3.32Å; T610-V791 HydrophobicContact CG2-CG2 3.62Å
611	E	92.4	Very high	93.4	Very high	146 Å²	146	42.7 Å²	42.7	68%	0.682	22%	0.217	S	C	*	.	H	α-helix	trans	-53.1	-38.6	175.9	-176.6	-175.5	176.2	0	0	111.6	T613 L614 N615	E611-T613 VanDerWaalsContact C-N 3.32Å; E611-T613 PolarHBondContact O-N 2.97Å; E611-L614 PolarHBondContact O-N 2.83Å; E611-N615 WeakPolarHBondContact CG-ND2 3.48Å; E611-N615 WeakPolarHBondContact O-CB 3.41Å; E611-N615 PolarHBondContact O-N 3.06Å; E611-N615 PolarHBondContact O-ND2 3.06Å
612	R	92.9	Very high	93.3	Very high	23 Å²	23	48.2 Å²	48.2	9%	0.087	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-42.1	176.1	-175.4	68.8	-156.8	97.3	-19.3	112	T610 N615 S789 T805 G807	T610-R612 PolarHBondContact O-N 3Å; T610-R612 VanDerWaalsContact O-N 3.15Å; R612-N615 PolarHBondContact NH1-O 3.12Å; R612-S789 WeakPolarHBondContact CG-OG 3.38Å; R612-T805 HydrophobicContact CG-CG2 3.5Å; R612-G807 PolarHBondContact NE-O 3.34Å; R612-G807 PolarHBondContact NH2-O 3.28Å
613	T	95	Very high	93	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67	-44.4	176.8	-59.2	0	0	0	0	110.7	I609 T610 E611 N615 I616 R619 R957	I609-T613 HydrophobicContact CG2-CG2 3.53Å; T610-T613 WeakPolarHBondContact O-CA 3.48Å; T610-T613 WeakPolarHBondContact O-CB 3.38Å; T610-T613 PolarHBondContact O-N 3.28Å; T610-T613 WeakPolarHBondContact OG1-CB 3.38Å; T610-T613 PolarHBondContact OG1-N 3.01Å; T610-T613 PolarHBondContact OG1-OG1 3.42Å; E611-T613 VanDerWaalsContact C-N 3.32Å; E611-T613 PolarHBondContact O-N 2.97Å; T613-N615 PolarHBondContact O-N 3.31Å; T613-I616 HydrophobicContact CG2-CD1 4.37Å; T613-I616 WeakPolarHBondContact O-CB 3.22Å; T613-I616 VanDerWaalsContact O-CG1 3.28Å; T613-I616 WeakPolarHBondContact O-CG1 3.45Å; T613-I616 PolarHBondContact O-N 2.96Å; T613-I616 VanDerWaalsContact O-N 3.15Å; T613-R619 WeakPolarHBondContact O-CD 3.35Å; T613-R957 PolarHBondContact OG1-NE 2.99Å; T613-R957 PolarHBondContact OG1-NH2 3.27Å; T613-R957 VanDerWaalsContact OG1-NH2 3.16Å
614	L	94.3	Very high	93.1	Very high	63 Å²	63	52.5 Å²	52.5	33%	0.33	27%	0.266	S	S	.	.	H	α-helix	trans	-58.6	-36.3	178.5	-68.7	173.4	0	0	0	112.4	I609 T610 E611 I616	I609-L614 HydrophobicContact CB-CD2 4.12Å; I609-L614 HydrophobicContact CB-CG 4.28Å; I609-L614 HydrophobicContact CG2-CD2 3.83Å; I609-L614 HydrophobicContact CG2-CG 3.86Å; T610-L614 PolarHBondContact O-N 3.32Å; E611-L614 PolarHBondContact O-N 2.83Å; L614-I616 PolarHBondContact O-N 3.4Å
615	N	92.9	Very high	93.1	Very high	77 Å²	77	54 Å²	54	41%	0.412	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	20.5	179.1	-71.2	-36	0	0	0	114.4	E611 R612 T613	E611-N615 WeakPolarHBondContact CG-ND2 3.48Å; E611-N615 WeakPolarHBondContact O-CB 3.41Å; E611-N615 PolarHBondContact O-N 3.06Å; E611-N615 PolarHBondContact O-ND2 3.06Å; R612-N615 PolarHBondContact NH1-O 3.12Å; T613-N615 PolarHBondContact O-N 3.31Å
616	I	95.5	Very high	93	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	27%	0.274	C	S	.	.			trans	-78.5	122	169.8	-69.4	175.1	0	0	0	108	I512 T613 L614 E618 R619 I955 R957	I512-I616 HydrophobicContact CB-CD1 4.21Å; I512-I616 HydrophobicContact CD1-CG2 4.49Å; I512-I616 HydrophobicContact CG2-CD1 3.81Å; I512-I616 HydrophobicContact CG2-CG2 4.32Å; T613-I616 HydrophobicContact CG2-CD1 4.37Å; T613-I616 WeakPolarHBondContact O-CB 3.22Å; T613-I616 VanDerWaalsContact O-CG1 3.28Å; T613-I616 WeakPolarHBondContact O-CG1 3.45Å; T613-I616 PolarHBondContact O-N 2.96Å; T613-I616 VanDerWaalsContact O-N 3.15Å; L614-I616 PolarHBondContact O-N 3.4Å; I616-E618 HydrophobicContact CG2-CB 4.06Å; I616-E618 WeakPolarHBondContact CG2-OE2 3.17Å; I616-E618 PolarHBondContact O-N 2.86Å; I616-R619 HydrophobicContact CB-CG 4.23Å; I616-R619 WeakPolarHBondContact O-CA 3.46Å; I616-R619 VanDerWaalsContact O-CB 3.3Å; I616-R619 WeakPolarHBondContact O-CB 2.82Å; I616-R619 PolarHBondContact O-N 3.38Å; I616-I955 HydrophobicContact CB-CD1 4.49Å; I616-I955 HydrophobicContact CD1-CG2 4.28Å; I616-I955 HydrophobicContact CG1-CB 4.47Å; I616-I955 HydrophobicContact CG1-CD1 4.21Å; I616-I955 HydrophobicContact CG1-CG2 4.01Å; I616-R957 HydrophobicContact CD1-CG 4.15Å
617	P	94.7	Very high	93.1	Very high	19 Å²	19	52.8 Å²	52.8	12%	0.123	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-54.5	-36.6	-176.5	-27.2	35	0	0	0	114.2	R619 H620 D950 I955	P617-R619 PolarHBondContact O-N 2.91Å; P617-R619 VanDerWaalsContact O-N 3.12Å; P617-H620 WeakPolarHBondContact O-CB 3.46Å; P617-H620 PolarHBondContact O-N 3.22Å; P617-D950 HydrophobicContact CB-CB 4.22Å; P617-D950 HydrophobicContact CG-CB 3.99Å; P617-D950 VanDerWaalsContact CG-OD2 3.29Å; P617-D950 WeakPolarHBondContact CG-OD2 3.25Å; P617-I955 HydrophobicContact CG-CD1 4.26Å
618	E	91.8	Very high	93	Very high	55 Å²	55	56.4 Å²	56.4	26%	0.257	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-60.5	-18.6	176.2	-66.1	68.8	-163.6	0	0	112.7	I512 I616 L949	I512-E618 HydrophobicContact CD1-CB 3.82Å; I616-E618 HydrophobicContact CG2-CB 4.06Å; I616-E618 WeakPolarHBondContact CG2-OE2 3.17Å; I616-E618 PolarHBondContact O-N 2.86Å; E618-L949 HydrophobicContact CB-CD1 4.29Å; E618-L949 HydrophobicContact CG-CD1 3.64Å; E618-L949 HydrophobicContact CG-CG 4.2Å
619	R	93.6	Very high	93.1	Very high	10 Å²	10	54.8 Å²	54.8	4%	0.038	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-85.6	-21.4	172.3	-65.2	-175.5	59.7	97.3	5.4	114.1	I512 S513 L514 T613 I616 P617 S621 H624 A626	I512-R619 HydrophobicContact CD1-CG 4.09Å; I512-R619 HydrophobicContact CG1-CG 4.49Å; I512-R619 WeakPolarHBondContact O-CD 3.33Å; I512-R619 PolarHBondContact O-NH1 3.3Å; S513-R619 PolarHBondContact O-NH1 2.89Å; L514-R619 HydrophobicContact CD1-CB 4.42Å; L514-R619 HydrophobicContact CD1-CG 3.94Å; L514-R619 HydrophobicContact CD2-CG 4.17Å; L514-R619 HydrophobicContact CG-CG 3.99Å; T613-R619 WeakPolarHBondContact O-CD 3.35Å; I616-R619 HydrophobicContact CB-CG 4.23Å; I616-R619 WeakPolarHBondContact O-CA 3.46Å; I616-R619 VanDerWaalsContact O-CB 3.3Å; I616-R619 WeakPolarHBondContact O-CB 2.82Å; I616-R619 PolarHBondContact O-N 3.38Å; P617-R619 PolarHBondContact O-N 2.91Å; P617-R619 VanDerWaalsContact O-N 3.12Å; R619-S621 PolarHBondContact O-N 3.47Å; R619-H624 WeakPolarHBondContact O-CB 3.18Å; R619-H624 PolarHBondContact O-ND1 3.43Å; R619-A626 PolarHBondContact NH2-O 2.98Å
620	H	91.2	Very high	93.2	Very high	125 Å²	125	54.2 Å²	54.2	58%	0.579	27%	0.271	S	S	*	.			trans	-69.9	97.5	-173.4	-63.9	175.4	0	0	0	110.6	P617	P617-H620 WeakPolarHBondContact O-CB 3.46Å; P617-H620 PolarHBondContact O-N 3.22Å
621	S	89.5	Confident	93.3	Very high	53 Å²	53	53.4 Å²	53.4	37%	0.371	27%	0.266	S	S	.	.	S	Bend	trans	-154.6	143.9	176	177.5	0	0	0	0	108	R619 E623 H624	R619-S621 PolarHBondContact O-N 3.47Å; S621-E623 PolarHBondContact O-N 3.05Å; S621-E623 VanDerWaalsContact O-N 3.12Å; S621-E623 PolarHBondContact OG-N 2.67Å; S621-H624 WeakPolarHBondContact CB-ND1 3.27Å; S621-H624 PolarHBondContact O-N 2.9Å; S621-H624 VanDerWaalsContact O-N 3.07Å
622	D	85.5	Confident	93.5	Very high	165 Å²	165	46.5 Å²	46.5	88%	0.882	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.3	174.3	-63.3	-32.9	0	0	0	112.2
623	E	86.4	Confident	93.6	Very high	135 Å²	135	46.5 Å²	46.5	63%	0.631	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-17.8	177.2	-59.4	-172.6	171	0	0	113.4	E519 S621	E519-E623 WeakPolarHBondContact CG-O 3.28Å; S621-E623 PolarHBondContact O-N 3.05Å; S621-E623 VanDerWaalsContact O-N 3.12Å; S621-E623 PolarHBondContact OG-N 2.67Å
624	H	93.1	Very high	93.6	Very high	46 Å²	46	46.6 Å²	46.6	21%	0.213	24%	0.236	C	C	.	.			trans	-101.4	89.2	-173.7	-61	156.2	0	0	0	111.7	L514 R619 S621	L514-H624 HydrophobicContact CD2-CB 3.78Å; R619-H624 WeakPolarHBondContact O-CB 3.18Å; R619-H624 PolarHBondContact O-ND1 3.43Å; S621-H624 WeakPolarHBondContact CB-ND1 3.27Å; S621-H624 PolarHBondContact O-N 2.9Å; S621-H624 VanDerWaalsContact O-N 3.07Å
625	L	93.5	Very high	93.4	Very high	79 Å²	79	47.3 Å²	47.3	41%	0.414	24%	0.236	S	C	.	.			trans	-98.7	-17.2	-174.9	-56.6	179.2	0	0	0	113.8	E519 Y555 N627	E519-L625 VanDerWaalsContact CD-N 3.28Å; E519-L625 WeakPolarHBondContact OE1-CA 3.45Å; E519-L625 PolarHBondContact OE1-N 2.88Å; Y555-L625 HydrophobicContact CD1-CB 4.09Å; Y555-L625 HydrophobicContact CD1-CD1 4.23Å; Y555-L625 HydrophobicContact CD2-CB 3.7Å; Y555-L625 WeakPolarHBondContact CD2-O 3.48Å; Y555-L625 HydrophobicContact CE1-CB 4.34Å; Y555-L625 HydrophobicContact CE1-CD1 4.02Å; Y555-L625 HydrophobicContact CE2-CB 3.98Å; Y555-L625 HydrophobicContact CG-CB 3.74Å; L625-N627 PolarHBondContact O-N 3.43Å
626	A	95.1	Very high	93.2	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.008	24%	0.24	C	C	.	.			trans	-51.8	124.2	-174.2	0	0	0	0	0	112.6	E519 P553 I554 I609 R619	E519-A626 PolarHBondContact OE1-N 3.39Å; P553-A626 HydrophobicContact CB-CB 3.94Å; I554-A626 WeakPolarHBondContact O-CA 3.23Å; I609-A626 WeakPolarHBondContact CD1-O 3.47Å; R619-A626 PolarHBondContact NH2-O 2.98Å
627	N	95.2	Very high	93.1	Very high	36 Å²	36	48.2 Å²	48.2	19%	0.193	24%	0.24	C	C	.	.			trans	-127.9	-10.9	-172.7	60.2	-17.5	0	0	0	113.4	I554 Y555 I556 I609 L625	I554-N627 PolarHBondContact O-N 2.97Å; I554-N627 PolarHBondContact O-OD1 3.34Å; Y555-N627 WeakPolarHBondContact CA-OD1 3.43Å; I556-N627 PolarHBondContact N-OD1 2.67Å; I556-N627 PolarHBondContact O-ND2 3.01Å; I556-N627 PolarHBondContact O-OD1 2.95Å; I609-N627 PolarHBondContact N-O 3.39Å; L625-N627 PolarHBondContact O-N 3.43Å
628	Y	95.7	Very high	93	Very high	77 Å²	77	49.1 Å²	49.1	30%	0.302	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	159.7	173	-77.2	-97.3	0	0	0	110.6	P553 I554 I556 L606 V607 P608	P553-Y628 CarbonylContact C-O 3.5Å; P553-Y628 WeakPolarHBondContact CA-O 3.28Å; I554-Y628 PolarHBondContact N-O 3.21Å; I554-Y628 PolarHBondContact O-N 2.9Å; I554-Y628 VanDerWaalsContact O-N 3.09Å; I554-Y628 VanDerWaalsContact O-O 3.09Å; I556-Y628 HydrophobicContact CB-CD2 3.88Å; I556-Y628 HydrophobicContact CB-CE2 4.19Å; I556-Y628 HydrophobicContact CD1-CD1 4.4Å; I556-Y628 HydrophobicContact CD1-CD2 3.81Å; I556-Y628 HydrophobicContact CD1-CE2 4.36Å; I556-Y628 HydrophobicContact CD1-CG 3.85Å; I556-Y628 HydrophobicContact CG1-CD2 4.03Å; I556-Y628 HydrophobicContact CG1-CG 4.41Å; L606-Y628 HydrophobicContact CB-CD1 4.19Å; V607-Y628 CarbonylContact O-C 3.58Å; V607-Y628 WeakPolarHBondContact O-CA 3.41Å; P608-Y628 HydrophobicContact CB-CD1 4.28Å; P608-Y628 HydrophobicContact CB-CE1 3.98Å
629	E	96.9	Very high	93.2	Very high	11 Å²	11	46.9 Å²	46.9	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.9	163.3	-71.5	174.3	162.1	0	0	109.4	S513 R551 L552 L606 V607 I609	S513-E629 VanDerWaalsContact CB-OE1 3.28Å; S513-E629 WeakPolarHBondContact CB-OE1 3.35Å; S513-E629 PolarHBondContact OG-OE1 3.12Å; R551-E629 IonicContact CZ-OE2 3.82Å; R551-E629 IonicContact NE-OE2 3.42Å; R551-E629 PolarHBondContact NE-OE2 3.05Å; R551-E629 IonicContact NH2-OE1 2.68Å; R551-E629 PolarHBondContact NH2-OE1 3.35Å; R551-E629 IonicContact NH2-OE2 3.04Å; R551-E629 PolarHBondContact NH2-OE2 3.38Å; L552-E629 CarbonylContact O-C 3.3Å; L552-E629 VanDerWaalsContact O-CA 3.22Å; L552-E629 WeakPolarHBondContact O-CA 3.46Å; L606-E629 WeakPolarHBondContact CA-O 3.46Å; V607-E629 PolarHBondContact N-O 3.46Å; V607-E629 PolarHBondContact O-N 3.31Å; I609-E629 HydrophobicContact CD1-CG 4.36Å; I609-E629 HydrophobicContact CG1-CG 3.86Å
630	I	96.9	Very high	93.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.7	165.6	-171.2	174.3	0	0	0	108.8	R551 L552 I554 V567 L569 Y604 L606 F632 L647	R551-I630 WeakPolarHBondContact CA-O 3.34Å; L552-I630 HydrophobicContact CB-CG2 3.89Å; L552-I630 PolarHBondContact N-O 3.26Å; L552-I630 WeakPolarHBondContact O-CG2 3.44Å; L552-I630 PolarHBondContact O-N 2.81Å; I554-I630 HydrophobicContact CD1-CB 4.39Å; I554-I630 HydrophobicContact CG2-CG2 4.17Å; V567-I630 HydrophobicContact CG1-CD1 3.69Å; L569-I630 HydrophobicContact CD2-CD1 4.02Å; Y604-I630 HydrophobicContact CD2-CD1 4.01Å; Y604-I630 HydrophobicContact CD2-CG1 4Å; Y604-I630 HydrophobicContact CG-CD1 3.97Å; Y604-I630 HydrophobicContact CG-CG1 4.14Å; L606-I630 HydrophobicContact CD2-CB 3.98Å; L606-I630 HydrophobicContact CD2-CG1 4.16Å; I630-F632 HydrophobicContact CG1-CD1 4.28Å; I630-F632 HydrophobicContact CG2-CE1 4.37Å; I630-L647 HydrophobicContact CD1-CD1 3.97Å; I630-L647 HydrophobicContact CG2-CD2 4.49Å
631	V	97.7	Very high	93.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.7	179.6	-170.1	0	0	0	0	108.7	W549 I550 R551 Y604 Q605 V607 V777 Y795	W549-V631 HydrophobicContact CE3-CG1 4.12Å; I550-V631 WeakPolarHBondContact O-CA 3.42Å; R551-V631 HydrophobicContact CG-CB 4.43Å; R551-V631 HydrophobicContact CG-CG1 4.05Å; R551-V631 HydrophobicContact CG-CG2 3.99Å; Y604-V631 CarbonylContact C-O 3.58Å; Y604-V631 WeakPolarHBondContact CA-O 3.08Å; Q605-V631 PolarHBondContact N-O 3.36Å; Q605-V631 PolarHBondContact O-N 3.03Å; V607-V631 HydrophobicContact CB-CG2 4.27Å; V607-V631 HydrophobicContact CG2-CG2 3.7Å; V631-V777 HydrophobicContact CG1-CG1 4.27Å; V631-Y795 HydrophobicContact CG1-CE1 4.21Å
632	F	96.7	Very high	93.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	153.5	178.7	58.7	-81.9	0	0	0	111.4	I535 I550 L552 L569 L602 E603 I630 V634	I535-F632 HydrophobicContact CD1-CZ 4.26Å; I550-F632 HydrophobicContact CB-CD1 4.48Å; I550-F632 HydrophobicContact CB-CD2 4.36Å; I550-F632 HydrophobicContact CB-CE1 4.04Å; I550-F632 HydrophobicContact CB-CE2 3.93Å; I550-F632 HydrophobicContact CB-CZ 3.75Å; I550-F632 HydrophobicContact CG1-CE2 4.31Å; I550-F632 HydrophobicContact CG1-CZ 4.48Å; I550-F632 HydrophobicContact CG2-CE1 3.81Å; I550-F632 HydrophobicContact CG2-CE2 4.18Å; I550-F632 HydrophobicContact CG2-CZ 3.52Å; I550-F632 PolarHBondContact N-O 2.57Å; I550-F632 PolarHBondContact O-N 3.32Å; L552-F632 HydrophobicContact CD1-CE1 4Å; L552-F632 HydrophobicContact CD1-CZ 4.11Å; L552-F632 HydrophobicContact CG-CE1 4.37Å; L569-F632 HydrophobicContact CD1-CE1 4.49Å; L569-F632 HydrophobicContact CD1-CZ 4.37Å; L569-F632 HydrophobicContact CD2-CB 3.73Å; L569-F632 HydrophobicContact CD2-CD1 3.73Å; L569-F632 HydrophobicContact CD2-CD2 3.89Å; L569-F632 HydrophobicContact CD2-CE1 4.27Å; L569-F632 HydrophobicContact CD2-CE2 4.4Å; L569-F632 HydrophobicContact CD2-CG 3.52Å; L602-F632 HydrophobicContact CD1-CD2 4.43Å; E603-F632 WeakPolarHBondContact O-CB 3.36Å; I630-F632 HydrophobicContact CG1-CD1 4.28Å; I630-F632 HydrophobicContact CG2-CE1 4.37Å; F632-V634 HydrophobicContact CD2-CG1 3.62Å; F632-V634 HydrophobicContact CE2-CG1 3.46Å; F632-V634 VanDerWaalsContact CE2-CG1 3.46Å
633	N	95.4	Very high	94.4	Very high	24 Å²	24	30.2 Å²	30.2	13%	0.128	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.2	177	-172.3	-106.5	0	0	0	110.1	S547 T548 W549 K635	S547-N633 PolarHBondContact OG-ND2 2.97Å; T548-N633 PolarHBondContact N-ND2 3.29Å; T548-N633 WeakPolarHBondContact O-CA 3.28Å; T548-N633 PolarHBondContact O-ND2 3.07Å; W549-N633 HydrophobicContact CD2-CB 4.08Å; W549-N633 HydrophobicContact CE3-CB 3.75Å; W549-N633 HydrophobicContact CH2-CB 3.74Å; W549-N633 HydrophobicContact CZ2-CB 4.03Å; W549-N633 HydrophobicContact CZ3-CB 3.58Å; N633-K635 WeakPolarHBondContact OD1-CE 3.42Å; N633-K635 WeakPolarHBondContact OD1-CG 3.47Å
634	V	93.3	Very high	94.7	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140.6	172.3	-60	0	0	0	0	110.1	L537 S547 T548 I550 F632 L637 F645	L537-V634 HydrophobicContact CD1-CB 4.26Å; L537-V634 HydrophobicContact CD1-CG1 3.78Å; L537-V634 HydrophobicContact CD1-CG2 3.84Å; S547-V634 CarbonylContact C-O 3.54Å; S547-V634 WeakPolarHBondContact CA-O 3.39Å; T548-V634 PolarHBondContact N-O 2.91Å; T548-V634 WeakPolarHBondContact O-CG2 3.42Å; T548-V634 PolarHBondContact O-N 3.41Å; I550-V634 HydrophobicContact CD1-CG2 4.49Å; I550-V634 HydrophobicContact CG1-CG1 4.13Å; I550-V634 HydrophobicContact CG1-CG2 3.91Å; F632-V634 HydrophobicContact CD2-CG1 3.62Å; F632-V634 HydrophobicContact CE2-CG1 3.46Å; F632-V634 VanDerWaalsContact CE2-CG1 3.46Å; V634-L637 HydrophobicContact CB-CD2 4.3Å; V634-L637 HydrophobicContact CG2-CD1 3.74Å; V634-L637 HydrophobicContact CG2-CD2 3.97Å; V634-L637 HydrophobicContact CG2-CG 4.01Å; V634-F645 HydrophobicContact CB-CE1 4.19Å; V634-F645 HydrophobicContact CB-CZ 3.81Å; V634-F645 HydrophobicContact CG1-CD1 4.37Å; V634-F645 HydrophobicContact CG1-CE1 3.63Å; V634-F645 HydrophobicContact CG1-CE2 4.21Å; V634-F645 HydrophobicContact CG1-CZ 3.54Å
635	K	90.2	Very high	94.8	Very high	78 Å²	78	21.6 Å²	21.6	34%	0.339	11%	0.109	S	C	.	.			trans	-118.8	153.7	-177	-55.3	-171.4	-175.6	-166.4	0	111.1	L546 R573 N633 L637	L546-K635 VanDerWaalsContact O-CA 3.28Å; L546-K635 WeakPolarHBondContact O-CA 3.33Å; L546-K635 WeakPolarHBondContact O-CB 3.4Å; R573-K635 PolarHBondContact NH1-O 2.82Å; R573-K635 PolarHBondContact NH2-O 3.39Å; N633-K635 WeakPolarHBondContact OD1-CE 3.42Å; N633-K635 WeakPolarHBondContact OD1-CG 3.47Å; K635-L637 PolarHBondContact O-N 3.35Å
636	L	89	Confident	94.8	Very high	96 Å²	96	17.8 Å²	17.8	50%	0.503	9%	0.089	S	C	.	.			trans	52.9	54	173.8	-63.9	159.8	0	0	0	112.9	E544 Q545 L546 R573 S638	E544-L636 HydrophobicContact CG-CD2 4.44Å; Q545-L636 CarbonylContact O-C 3.53Å; Q545-L636 WeakPolarHBondContact O-CA 2.9Å; Q545-L636 PolarHBondContact O-N 2.71Å; Q545-L636 VanDerWaalsContact O-N 3.08Å; L546-L636 HydrophobicContact CD2-CD2 3.9Å; R573-L636 PolarHBondContact NH1-O 3.19Å; L636-S638 PolarHBondContact O-N 3.12Å
637	L	93.4	Very high	94.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-77.4	117.6	173	-57.7	177.6	0	0	0	109.5	L537 N539 E544 Q545 V634 K635 F645 I985	L537-L637 HydrophobicContact CB-CD2 4.46Å; L537-L637 HydrophobicContact CD1-CD2 4.42Å; N539-L637 HydrophobicContact CB-CB 4.36Å; N539-L637 PolarHBondContact ND2-O 2.84Å; E544-L637 WeakPolarHBondContact CA-O 3.43Å; Q545-L637 HydrophobicContact CB-CB 4.16Å; Q545-L637 HydrophobicContact CB-CD1 4.47Å; Q545-L637 PolarHBondContact N-O 2.82Å; Q545-L637 PolarHBondContact O-N 2.87Å; V634-L637 HydrophobicContact CB-CD2 4.3Å; V634-L637 HydrophobicContact CG2-CD1 3.74Å; V634-L637 HydrophobicContact CG2-CD2 3.97Å; V634-L637 HydrophobicContact CG2-CG 4.01Å; K635-L637 PolarHBondContact O-N 3.35Å; L637-F645 HydrophobicContact CD2-CE2 4.31Å; L637-F645 HydrophobicContact CD2-CZ 4.22Å; L637-I985 HydrophobicContact CD1-CD1 3.59Å; L637-I985 HydrophobicContact CD1-CG1 3.66Å; L637-I985 HydrophobicContact CD1-CG2 4.25Å
638	S	93.7	Very high	94.8	Very high	38 Å²	38	16 Å²	16	27%	0.266	8%	0.08	S	C	.	.	P	Polyproline II helix	trans	-59.4	146.8	-179.4	-53	0	0	0	0	112.1	N539 L636	N539-S638 WeakPolarHBondContact CB-O 3.37Å; N539-S638 PolarHBondContact ND2-O 2.78Å; N539-S638 VanDerWaalsContact ND2-O 3.14Å; L636-S638 PolarHBondContact O-N 3.12Å
639	P	96.3	Very high	94.6	Very high	9 Å²	9	12.8 Å²	12.8	6%	0.058	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	146.3	178	30.3	-38	0	0	0	111.6	L541 G542 G641 T1005 I1007 A1010	L541-P639 CarbonylContact O-C 3.5Å; L541-P639 VanDerWaalsContact O-CA 3.28Å; L541-P639 WeakPolarHBondContact O-CA 3.35Å; L541-P639 WeakPolarHBondContact O-CB 3.44Å; G542-P639 VanDerWaalsContact C-CB 3.41Å; G542-P639 WeakPolarHBondContact O-CB 3.32Å; P639-G641 PolarHBondContact O-N 2.9Å; P639-T1005 PolarHBondContact O-OG1 2.62Å; P639-I1007 HydrophobicContact CB-CD1 3.71Å; P639-I1007 HydrophobicContact CB-CG1 3.97Å; P639-I1007 HydrophobicContact CG-CD1 3.79Å; P639-I1007 HydrophobicContact CG-CG1 3.68Å; P639-A1010 HydrophobicContact CG-CB 4.01Å
640	I	97.1	Very high	94.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.5	54.7	-178.1	-47.5	-178.1	0	0	0	110.3	Q417 Y538 N539 L541 W1004 T1005 G1006 I1007 L1017 L1020	Q417-I640 HydrophobicContact CB-CG2 3.82Å; Q417-I640 HydrophobicContact CG-CG2 3.92Å; Y538-I640 WeakPolarHBondContact OH-CG2 3.47Å; N539-I640 CarbonylContact O-C 3.47Å; N539-I640 WeakPolarHBondContact O-CA 3.4Å; N539-I640 PolarHBondContact O-N 2.82Å; L541-I640 PolarHBondContact O-N 2.78Å; I640-W1004 VanDerWaalsContact O-CZ3 3.29Å; I640-W1004 WeakPolarHBondContact O-CZ3 3.45Å; I640-T1005 CarbonylContact O-C 3.6Å; I640-T1005 WeakPolarHBondContact O-CA 3.43Å; I640-G1006 PolarHBondContact O-N 3.36Å; I640-I1007 HydrophobicContact CD1-CD1 4.38Å; I640-I1007 HydrophobicContact CD1-CG1 4.48Å; I640-I1007 HydrophobicContact CD1-CG2 3.74Å; I640-L1017 HydrophobicContact CD1-CD2 3.18Å; I640-L1017 HydrophobicContact CG1-CD2 4.06Å; I640-L1020 HydrophobicContact CD1-CD2 3.64Å
641	G	95.5	Very high	93.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151.4	-157	0	0	0	0	0	115.4	Y538 N539 P639 W1004	Y538-G641 CarbonylContact C-O 3.52Å; Y538-G641 VanDerWaalsContact CA-O 3.3Å; Y538-G641 WeakPolarHBondContact CA-O 3.49Å; N539-G641 PolarHBondContact N-O 3.08Å; N539-G641 PolarHBondContact O-N 3.5Å; N539-G641 VanDerWaalsContact O-N 3.11Å; P639-G641 PolarHBondContact O-N 2.9Å; G641-W1004 CarbonylContact C-O 3.58Å; G641-W1004 WeakPolarHBondContact CA-O 3.45Å
642	F	96.1	Very high	91.5	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.9	175.1	-64.3	-72.3	0	0	0	110.1	M414 V418 L488 L491 L492 I536 L537 Y538 L988 G1003 W1004	M414-F642 HydrophobicContact CE-CE1 3.31Å; M414-F642 HydrophobicContact CE-CZ 3.5Å; M414-F642 VanDerWaalsContact CE-CZ 3.5Å; V418-F642 HydrophobicContact CG2-CE2 4.03Å; V418-F642 HydrophobicContact CG2-CZ 3.7Å; L488-F642 HydrophobicContact CD1-CD1 3.74Å; L488-F642 HydrophobicContact CD1-CD2 3.96Å; L488-F642 HydrophobicContact CD1-CE1 3.39Å; L488-F642 HydrophobicContact CD1-CE2 3.7Å; L488-F642 HydrophobicContact CD1-CG 3.99Å; L488-F642 HydrophobicContact CD1-CZ 3.4Å; L491-F642 HydrophobicContact CD1-CD2 4.45Å; L491-F642 HydrophobicContact CD1-CE2 3.75Å; L492-F642 HydrophobicContact CD1-CB 3.89Å; L492-F642 HydrophobicContact CD1-CD2 4.49Å; L492-F642 HydrophobicContact CD1-CG 4.16Å; L492-F642 HydrophobicContact CD2-CB 4.36Å; I536-F642 HydrophobicContact CG2-CB 4.08Å; I536-F642 HydrophobicContact CG2-CD1 3.59Å; I536-F642 HydrophobicContact CG2-CE1 4.44Å; I536-F642 HydrophobicContact CG2-CG 4.21Å; L537-F642 CarbonylContact O-C 3.56Å; L537-F642 WeakPolarHBondContact O-CA 3.45Å; Y538-F642 AromaticContact CD2-CD1 3.6Å; Y538-F642 HydrophobicContact CD2-CD1 3.6Å; Y538-F642 HydrophobicContact CD2-CD2 4.26Å; Y538-F642 AromaticContact CD2-CE1 3.35Å; Y538-F642 HydrophobicContact CD2-CE1 3.35Å; Y538-F642 AromaticContact CD2-CE2 3.98Å; Y538-F642 HydrophobicContact CD2-CE2 3.98Å; Y538-F642 HydrophobicContact CD2-CG 4.07Å; Y538-F642 AromaticContact CD2-CZ 3.53Å; Y538-F642 HydrophobicContact CD2-CZ 3.53Å; Y538-F642 HydrophobicContact CE2-CE1 4.16Å; Y538-F642 HydrophobicContact CE2-CE2 4.04Å; Y538-F642 AromaticContact CE2-CZ 3.86Å; Y538-F642 HydrophobicContact CE2-CZ 3.86Å; Y538-F642 HydrophobicContact CG-CD1 4.29Å; Y538-F642 AromaticContact CG-CE1 3.97Å; Y538-F642 HydrophobicContact CG-CE1 3.97Å; Y538-F642 HydrophobicContact CG-CZ 4.43Å; F642-L988 HydrophobicContact CD1-CD1 4.47Å; F642-L988 HydrophobicContact CE1-CD1 4.1Å; F642-G1003 CarbonylContact O-C 3.6Å; F642-G1003 WeakPolarHBondContact O-CA 3.37Å; F642-W1004 HydrophobicContact CD2-CB 4.37Å; F642-W1004 HydrophobicContact CD2-CD2 4.34Å; F642-W1004 AromaticContact CD2-CE3 3.55Å; F642-W1004 HydrophobicContact CD2-CE3 3.55Å; F642-W1004 HydrophobicContact CD2-CZ3 4.2Å; F642-W1004 AromaticContact CE2-CE3 3.86Å; F642-W1004 HydrophobicContact CE2-CE3 3.86Å; F642-W1004 HydrophobicContact CE2-CZ3 4.07Å; F642-W1004 PolarHBondContact N-O 3.03Å; F642-W1004 PolarHBondContact O-N 3.34Å
643	S	94.6	Very high	89.4	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.5	168.9	-64.2	0	0	0	0	110.2	I536 L537 R573	I536-S643 CarbonylContact C-O 3.51Å; I536-S643 WeakPolarHBondContact CA-O 3.31Å; L537-S643 PolarHBondContact N-O 2.76Å; L537-S643 PolarHBondContact O-N 3.16Å; R573-S643 PolarHBondContact NH1-OG 2.59Å; R573-S643 VanDerWaalsContact NH1-OG 3.07Å
644	L	93.5	Very high	86.9	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.5	-166.7	-65.8	174.1	0	0	0	112	L492 L495 I536 L572 V1001 N1002	L492-L644 HydrophobicContact CD1-CD1 4.32Å; L492-L644 HydrophobicContact CD1-CD2 3.91Å; L492-L644 HydrophobicContact CD1-CG 4.44Å; L492-L644 HydrophobicContact CD2-CD1 4.23Å; L495-L644 HydrophobicContact CD1-CD1 4.17Å; L495-L644 HydrophobicContact CD1-CD2 3.88Å; L495-L644 HydrophobicContact CD2-CD1 4.22Å; L495-L644 HydrophobicContact CG-CD1 4.13Å; I536-L644 HydrophobicContact CB-CD2 4.06Å; I536-L644 HydrophobicContact CD1-CD2 3.99Å; I536-L644 HydrophobicContact CG1-CD2 3.56Å; I536-L644 HydrophobicContact CG2-CD2 3.8Å; L572-L644 HydrophobicContact CB-CB 4.31Å; L572-L644 WeakPolarHBondContact CB-O 3.4Å; L572-L644 HydrophobicContact CD1-CB 4.11Å; L572-L644 PolarHBondContact N-O 3.47Å; L644-V1001 HydrophobicContact CD1-CB 4.48Å; L644-V1001 HydrophobicContact CD1-CG1 3.34Å; L644-N1002 WeakPolarHBondContact CD1-O 3.48Å
645	F	94.2	Very high	84.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	162.4	178.4	-53.6	-98.9	0	0	0	109.3	F534 I535 L537 K570 D571 L602 V634 L637	F534-F645 CarbonylContact C-O 3.59Å; F534-F645 WeakPolarHBondContact CA-O 3.41Å; I535-F645 HydrophobicContact CB-CB 4.12Å; I535-F645 PolarHBondContact N-O 2.69Å; I535-F645 PolarHBondContact O-N 3.05Å; L537-F645 HydrophobicContact CB-CE2 4.2Å; L537-F645 HydrophobicContact CD1-CD2 3.97Å; L537-F645 HydrophobicContact CD1-CE2 3.51Å; L537-F645 HydrophobicContact CD1-CZ 4.15Å; L537-F645 HydrophobicContact CG-CD2 3.97Å; L537-F645 HydrophobicContact CG-CE2 3.82Å; K570-F645 CarbonylContact O-C 3.6Å; K570-F645 WeakPolarHBondContact O-CA 3.46Å; K570-F645 WeakPolarHBondContact O-CB 3.44Å; D571-F645 HydrophobicContact CB-CD1 3.9Å; D571-F645 HydrophobicContact CB-CE1 3.82Å; L602-F645 HydrophobicContact CD1-CD1 3.71Å; L602-F645 HydrophobicContact CD1-CE1 3.93Å; V634-F645 HydrophobicContact CB-CE1 4.19Å; V634-F645 HydrophobicContact CB-CZ 3.81Å; V634-F645 HydrophobicContact CG1-CD1 4.37Å; V634-F645 HydrophobicContact CG1-CE1 3.63Å; V634-F645 HydrophobicContact CG1-CE2 4.21Å; V634-F645 HydrophobicContact CG1-CZ 3.54Å; L637-F645 HydrophobicContact CD2-CE2 4.31Å; L637-F645 HydrophobicContact CD2-CZ 4.22Å
646	Y	94	Very high	81.2	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.1	178.5	173.3	-93.2	0	0	0	109.5	L525 G531 F534 I568 L569 K570 A648 A992 Q995	L525-Y646 WeakPolarHBondContact CD2-OH 3.4Å; G531-Y646 PolarHBondContact O-OH 3.06Å; F534-Y646 HydrophobicContact CD1-CD2 4.06Å; F534-Y646 AromaticContact CE1-CD2 3.79Å; F534-Y646 HydrophobicContact CE1-CD2 3.79Å; F534-Y646 HydrophobicContact CZ-CD2 4.33Å; I568-Y646 HydrophobicContact CG2-CD1 4.21Å; I568-Y646 HydrophobicContact CG2-CE1 4.06Å; L569-Y646 CarbonylContact C-O 3.59Å; L569-Y646 VanDerWaalsContact CA-O 3.29Å; L569-Y646 WeakPolarHBondContact CA-O 3.42Å; K570-Y646 PolarHBondContact N-O 3.33Å; K570-Y646 PolarHBondContact O-N 3.21Å; Y646-A648 HydrophobicContact CE1-CB 3.61Å; Y646-A992 HydrophobicContact CD2-CB 4.21Å; Y646-A992 HydrophobicContact CE2-CB 3.72Å; Y646-Q995 HydrophobicContact CD1-CG 4.1Å; Y646-Q995 HydrophobicContact CE1-CB 3.95Å; Y646-Q995 HydrophobicContact CE1-CG 3.84Å; Y646-Q995 HydrophobicContact CE2-CB 4.19Å
647	L	95.3	Very high	78.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.4	175.6	172.1	66.3	0	0	0	109.6	T518 G532 V533 I535 I554 V567 I568 L569 I630	T518-L647 HydrophobicContact CG2-CD2 4.32Å; G532-L647 CarbonylContact C-O 3.31Å; G532-L647 WeakPolarHBondContact CA-O 3.28Å; V533-L647 HydrophobicContact CG1-CB 3.83Å; V533-L647 HydrophobicContact CG1-CD2 4.18Å; V533-L647 HydrophobicContact CG1-CG 4.24Å; V533-L647 PolarHBondContact N-O 3.26Å; V533-L647 PolarHBondContact O-N 3.46Å; I535-L647 HydrophobicContact CD1-CB 3.63Å; I535-L647 HydrophobicContact CD1-CD2 4.18Å; I535-L647 HydrophobicContact CG1-CB 4.28Å; I554-L647 HydrophobicContact CG2-CD2 4.16Å; V567-L647 HydrophobicContact CG1-CD1 3.85Å; I568-L647 CarbonylContact O-C 3.59Å; I568-L647 VanDerWaalsContact O-CA 3.25Å; I568-L647 WeakPolarHBondContact O-CA 3.16Å; L569-L647 HydrophobicContact CB-CD1 4.5Å; L569-L647 HydrophobicContact CD1-CB 4.24Å; L569-L647 HydrophobicContact CD1-CD1 4.33Å; I630-L647 HydrophobicContact CD1-CD1 3.97Å; I630-L647 HydrophobicContact CG2-CD2 4.49Å
648	A	94.6	Very high	75.3	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	152.2	168.1	0	0	0	0	0	111.9	P523 L525 I568 Y646	P523-A648 CarbonylContact O-C 3.57Å; P523-A648 WeakPolarHBondContact O-CA 3.14Å; L525-A648 HydrophobicContact CD1-CB 4.39Å; L525-A648 HydrophobicContact CD2-CB 3.62Å; L525-A648 HydrophobicContact CG-CB 3.83Å; I568-A648 HydrophobicContact CB-CB 4.36Å; I568-A648 PolarHBondContact N-O 3.43Å; I568-A648 PolarHBondContact O-N 3.33Å; Y646-A648 HydrophobicContact CE1-CB 3.61Å
649	L	92.4	Very high	72.3	Confident	8 Å²	8	52.8 Å²	52.8	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.3	175	-59	-176	0	0	0	108.8	P523 Q524 L525 I554 L565 V567	P523-L649 HydrophobicContact CB-CG 4.28Å; P523-L649 HydrophobicContact CG-CD1 3.86Å; P523-L649 HydrophobicContact CG-CG 4.14Å; P523-L649 PolarHBondContact O-N 3.02Å; Q524-L649 CarbonylContact C-O 3.56Å; Q524-L649 VanDerWaalsContact CA-O 3.29Å; Q524-L649 WeakPolarHBondContact CA-O 3.42Å; Q524-L649 WeakPolarHBondContact CG-O 3.02Å; L525-L649 PolarHBondContact N-O 2.94Å; I554-L649 HydrophobicContact CD1-CD2 4.44Å; L565-L649 HydrophobicContact CD1-CB 4.09Å; L565-L649 HydrophobicContact CD1-CD2 4.45Å; V567-L649 HydrophobicContact CB-CD2 4.24Å; V567-L649 HydrophobicContact CG1-CD2 4.07Å; V567-L649 HydrophobicContact CG2-CD2 3.84Å
650	N	87.4	Confident	69.1	Low	21 Å²	21	62.3 Å²	62.3	11%	0.112	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.3	178	-172.5	18.2	0	0	0	110.3	L525 Q566 I568	L525-N650 HydrophobicContact CD1-CB 4.09Å; Q566-N650 HydrophobicContact CB-CB 4.18Å; Q566-N650 PolarHBondContact N-O 3.43Å; Q566-N650 PolarHBondContact O-N 3.36Å; Q566-N650 PolarHBondContact OE1-ND2 3.41Å; Q566-N650 VanDerWaalsContact OE1-ND2 3.15Å; I568-N650 HydrophobicContact CD1-CB 4.27Å
651	K	75.9	Confident	65.8	Low	74 Å²	74	69.2 Å²	69.2	32%	0.322	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.1	174.1	-171	-178.5	-173.9	178.4	0	108.2	Y560 D564 T653	Y560-K651 HydrophobicContact CE1-CB 4.04Å; Y560-K651 HydrophobicContact CE1-CD 4.28Å; Y560-K651 HydrophobicContact CE1-CG 3.76Å; Y560-K651 WeakPolarHBondContact OH-CD 3.39Å; D564-K651 WeakPolarHBondContact O-CA 3.1Å; K651-T653 VanDerWaalsContact C-N 3.26Å; K651-T653 PolarHBondContact O-N 2.91Å
652	T	63.6	Low	62.5	Low	79 Å²	79	77.4 Å²	77.4	49%	0.485	38%	0.382	S	S	.	.	S	Bend	trans	-71.5	-19.7	-176.7	45.7	0	0	0	0	113.1	N563 D564 Q566 Y654	N563-T652 PolarHBondContact O-OG1 2.86Å; D564-T652 VanDerWaalsContact C-OG1 3.29Å; D564-T652 WeakPolarHBondContact CA-OG1 3.09Å; D564-T652 PolarHBondContact O-N 2.87Å; D564-T652 PolarHBondContact O-OG1 3.11Å; D564-T652 VanDerWaalsContact O-OG1 3.09Å; Q566-T652 HydrophobicContact CB-CG2 4.15Å; T652-Y654 PolarHBondContact O-N 2.85Å
653	T	52.6	Low	59.1	Low	61 Å²	61	88.5 Å²	88.5	37%	0.374	43%	0.426	S	S	.	.			trans	-96.9	78.1	174.5	26.2	0	0	0	0	112.5	D564 K651	D564-T653 PolarHBondContact OD1-OG1 2.82Å; K651-T653 VanDerWaalsContact C-N 3.26Å; K651-T653 PolarHBondContact O-N 2.91Å
654	Y	42.7	Very low	55.8	Low	90 Å²	90	97 Å²	97	35%	0.353	47%	0.465	S	S	.	.			trans	-92.3	75.2	151	-83	-63.5	0	0	0	108.4	H527 T652 N656	H527-Y654 HydrophobicContact CB-CE1 4.49Å; H527-Y654 AromaticContact CD2-CD1 3.44Å; H527-Y654 VanDerWaalsContact CD2-CD1 3.44Å; H527-Y654 WeakPolarHBondContact CD2-CD1 3.46Å; H527-Y654 AromaticContact CD2-CE1 2.93Å; H527-Y654 WeakPolarHBondContact CD2-CE1 3.48Å; H527-Y654 AromaticContact CD2-CZ 3.45Å; H527-Y654 VanDerWaalsContact CD2-CZ 3.45Å; H527-Y654 AromaticContact CE1-CE1 3.76Å; H527-Y654 AromaticContact CG-CE1 3.61Å; H527-Y654 AromaticContact CG-CZ 3.59Å; H527-Y654 PolarHBondContact N-OH 2.93Å; H527-Y654 AromaticContact ND1-CZ 3.97Å; H527-Y654 PolarHBondContact ND1-OH 3.42Å; H527-Y654 AromaticContact NE2-CD1 3.83Å; H527-Y654 AromaticContact NE2-CE1 3.06Å; H527-Y654 WeakPolarHBondContact NE2-CE1 3.45Å; H527-Y654 AromaticContact NE2-CZ 3.74Å; T652-Y654 PolarHBondContact O-N 2.85Å; Y654-N656 PolarHBondContact O-N 3.45Å
655	Q	32.9	Very low	52.9	Low	167 Å²	167	102.1 Å²	102.1	78%	0.78	50%	0.499	S	S	*	.			trans	-71.7	118.3	162.9	-77.7	-169.9	-13	0	0	107.5	Q657	Q655-Q657 PolarHBondContact O-N 2.79Å
656	N	30.1	Very low	49.5	Very low	153 Å²	153	109.4 Å²	109.4	82%	0.818	54%	0.537	S	S	*	.			trans	-41.7	100.3	169	-71.9	-28	0	0	0	110.5	Y654	Y654-N656 PolarHBondContact O-N 3.45Å
657	Q	29.2	Very low	46.1	Very low	174 Å²	174	117.2 Å²	117.2	81%	0.813	57%	0.574	S	S	*	*			trans	-109	87.4	153.8	-77.5	-168.3	-14.2	0	0	106.8	Q655 V659	Q655-Q657 PolarHBondContact O-N 2.79Å; Q657-V659 PolarHBondContact O-N 3.23Å
658	D	30	Very low	42.7	Very low	154 Å²	154	122.5 Å²	122.5	82%	0.824	61%	0.606	S	S	*	*			trans	-56.8	84	149.6	-73.3	-45.9	0	0	0	108.2
659	V	30.9	Very low	39.4	Very low	116 Å²	116	129.2 Å²	129.2	70%	0.703	64%	0.642	S	S	*	*			trans	-138.8	92.2	160.3	-172.1	0	0	0	0	108.2	Q657 N661	Q657-V659 PolarHBondContact O-N 3.23Å; V659-N661 PolarHBondContact O-N 3.3Å
660	Y	27.5	Very low	36.2	Very low	210 Å²	210	134.3 Å²	134.3	82%	0.824	67%	0.673	S	S	*	*			trans	-45.1	118.5	148.3	-87.2	-99.7	0	0	0	109.2
661	N	29.1	Very low	33.3	Very low	145 Å²	145	138.5 Å²	138.5	78%	0.775	70%	0.704	S	S	*	*				176	143.2	115.6	-87.5	-30.5	0	0	0	112	V659	V659-N661 PolarHBondContact O-N 3.3Å
662	H	26.2	Very low	31.1	Very low	171 Å²	171	139.9 Å²	139.9	79%	0.792	72%	0.723	S	S	*	*			trans	-31.6	139.6	168.2	-61.2	-18.7	0	0	0	114.5
663	Y	24.3	Very low	29.2	Very low	234 Å²	234	144.8 Å²	144.8	92%	0.918	74%	0.743	S	S	*	*			trans	-152.6	115	134.3	-96.4	-71.4	0	0	0	111.7
664	E	26.2	Very low	28	Very low	179 Å²	179	147 Å²	147	84%	0.836	76%	0.761	S	S	*	*			trans	-61.3	169.6	147.1	-103.5	-175.7	160.7	0	0	111.5
665	P	32.4	Very low	27.1	Very low	108 Å²	108	148.2 Å²	148.2	70%	0.701	78%	0.782	S	S	*	*			trans	-98.8	169.1	-151.4	38.7	-36.3	0	0	0	115.8
666	L	21.5	Very low	26.8	Very low	154 Å²	154	145.5 Å²	145.5	81%	0.806	78%	0.782	S	S	*	*			trans	108.9	137	159	-97.6	95.4	0	0	0	119.2
667	Q	24.2	Very low	26.5	Very low	164 Å²	164	144.1 Å²	144.1	77%	0.766	78%	0.784	S	S	*	*			trans	100.9	98.2	155.6	-73.8	178.4	3.5	0	0	119.6
668	T	22.1	Very low	26.4	Very low	110 Å²	110	140.7 Å²	140.7	68%	0.675	78%	0.78	S	S	*	*				40.5	114.4	119.8	57.9	0	0	0	0	118.1
669	D	26.5	Very low	26.3	Very low	142 Å²	142	138.7 Å²	138.7	76%	0.759	78%	0.777	S	S	*	*				178.3	135.5	99.7	-96.2	-25.3	0	0	0	113.8
670	T	24.7	Very low	26.1	Very low	114 Å²	114	138.7 Å²	138.7	70%	0.699	78%	0.783	S	S	*	*			trans	29.3	124.6	143.9	62.8	0	0	0	0	121.1
671	S	26.5	Very low	26.1	Very low	109 Å²	109	133.9 Å²	133.9	76%	0.762	78%	0.78	S	S	*	*				152.5	147.5	93.1	57.6	0	0	0	0	114.5
672	S	29.1	Very low	26	Very low	103 Å²	103	132.8 Å²	132.8	72%	0.72	77%	0.773	S	S	*	*			trans	82.7	105.6	156.9	69	0	0	0	0	120.1
673	M	23.8	Very low	26.3	Very low	182 Å²	182	128.2 Å²	128.2	90%	0.897	76%	0.758	S	S	*	*				47.7	130.2	117.5	-58.5	-175.3	76.8	0	0	117.2
674	S	28.4	Very low	26.4	Very low	109 Å²	109	123.7 Å²	123.7	76%	0.762	76%	0.755	S	S	*	*			cis	-173	153.6	44.2	45.5	0	0	0	0	111
675	S	23.3	Very low	26.6	Very low	114 Å²	114	118.9 Å²	118.9	80%	0.797	74%	0.738	S	S	*	*			trans	-51.8	139.3	170.6	52	0	0	0	0	115.8
676	S	27.5	Very low	26.5	Very low	111 Å²	111	119.2 Å²	119.2	78%	0.776	74%	0.743	S	S	*	*				-165.2	117.6	127.2	54.3	0	0	0	0	110.7
677	S	24.2	Very low	27	Very low	123 Å²	123	114.2 Å²	114.2	86%	0.86	72%	0.72	S	S	*	*			trans	-53.8	126.8	164.7	49	0	0	0	0	112.7
678	S	27	Very low	27.5	Very low	103 Å²	103	112.4 Å²	112.4	72%	0.72	72%	0.72	S	S	*	*			trans	-156.1	108.2	153	56.3	0	0	0	0	109.8
679	S	26	Very low	27.8	Very low	111 Å²	111	114.2 Å²	114.2	78%	0.776	72%	0.721	S	S	*	*			trans	23.9	101	152.2	57.6	0	0	0	0	116.7	S681	S679-S681 PolarHBondContact O-N 2.78Å
680	S	27.3	Very low	28.2	Very low	116 Å²	116	111.8 Å²	111.8	81%	0.811	72%	0.715	S	S	*	*			trans	-57	102.3	162.9	51.3	0	0	0	0	109.8	I682	S680-I682 PolarHBondContact O-N 2.9Å
681	S	27.2	Very low	28.7	Very low	109 Å²	109	112.7 Å²	112.7	76%	0.762	72%	0.723	S	S	*	*			trans	-73.7	113.9	161.6	31.9	0	0	0	0	107.1	S679 P683	S679-S681 PolarHBondContact O-N 2.78Å; S681-P683 WeakPolarHBondContact O-CD 3.45Å
682	I	27.6	Very low	29.4	Very low	123 Å²	123	110.4 Å²	110.4	63%	0.631	70%	0.704	S	S	*	*			trans	-60.8	121.3	173.5	-62.6	169.9	0	0	0	107.1	S680 T684	S680-I682 PolarHBondContact O-N 2.9Å; I682-T684 PolarHBondContact O-N 3.14Å
683	P	32.3	Very low	30.4	Very low	75 Å²	75	109.9 Å²	109.9	49%	0.487	69%	0.693	S	S	.	*			trans	-78.5	127	-173.3	-11.2	26.6	0	0	0	112	S562 S681 V685	S562-P683 WeakPolarHBondContact OG-CB 3.23Å; S681-P683 WeakPolarHBondContact O-CD 3.45Å; P683-V685 PolarHBondContact O-N 3.19Å
684	T	25.9	Very low	31.4	Very low	138 Å²	138	107.6 Å²	107.6	85%	0.847	68%	0.683	S	S	*	*			trans	-76.9	97.2	173.1	-8	0	0	0	0	109.7	I682	I682-T684 PolarHBondContact O-N 3.14Å
685	V	31.7	Very low	32.5	Very low	79 Å²	79	109 Å²	109	48%	0.479	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-76.9	125.7	161.8	178.8	0	0	0	0	107.7	P683 S687	P683-V685 PolarHBondContact O-N 3.19Å; V685-S687 PolarHBondContact O-N 2.82Å
686	S	30.2	Very low	34.2	Very low	115 Å²	115	105.6 Å²	105.6	80%	0.804	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-73.5	118.6	-167.9	27.6	0	0	0	0	112.4
687	S	32.2	Very low	35.7	Very low	48 Å²	48	103.9 Å²	103.9	34%	0.336	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-87.6	146.2	173.5	52.3	0	0	0	0	111.9	V685	V685-S687 PolarHBondContact O-N 2.82Å
688	V	33.1	Very low	37.9	Very low	126 Å²	126	99.3 Å²	99.3	76%	0.764	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-103.6	117.5	175.3	178	0	0	0	0	108.6
689	H	29.7	Very low	40.1	Very low	149 Å²	149	94.8 Å²	94.8	69%	0.69	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-77.3	136.5	-174.8	-65	-63.2	0	0	0	113.7
690	S	34.6	Very low	42.7	Very low	90 Å²	90	96.2 Å²	96.2	63%	0.629	56%	0.564	S	S	*	*			trans	-124.3	139.6	158.2	-51.7	0	0	0	0	109
691	P	34.6	Very low	45.6	Very low	133 Å²	133	91.1 Å²	91.1	86%	0.864	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-67.8	141.3	179.8	24.3	-30.1	0	0	0	112.5
692	V	42.6	Very low	48.7	Very low	61 Å²	61	86.1 Å²	86.1	37%	0.37	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-75.9	136.7	177.4	-179.3	0	0	0	0	109.9	Q696	V692-Q696 HydrophobicContact CG1-CB 4.42Å
693	D	49.8	Very low	51.8	Low	92 Å²	92	84.1 Å²	84.1	49%	0.492	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-73.2	137.9	175.4	-164.4	-10.9	0	0	0	110.7	D695 Q696	D693-D695 PolarHBondContact O-N 3.35Å; D693-Q696 HydrophobicContact CB-CG 4.27Å; D693-Q696 WeakPolarHBondContact O-CB 3.25Å; D693-Q696 PolarHBondContact O-N 2.72Å
694	I	43.9	Very low	54.7	Low	134 Å²	134	81.2 Å²	81.2	69%	0.687	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-61.9	-32	-175.3	-68.6	173.5	0	0	0	111.2	Q696 L697	I694-Q696 PolarHBondContact O-N 2.81Å; I694-L697 HydrophobicContact CG2-CD1 4.34Å; I694-L697 PolarHBondContact O-N 2.78Å
695	D	52.8	Low	57.9	Low	140 Å²	140	77.6 Å²	77.6	75%	0.749	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-70.5	-7.9	178	-74.3	-21.7	0	0	0	113.7	D693	D693-D695 PolarHBondContact O-N 3.35Å
696	Q	56.9	Low	60.7	Low	42 Å²	42	74.4 Å²	74.4	20%	0.196	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-99.8	-3	178.6	-64.1	176.5	7.4	0	0	113.8	V692 D693 I694	V692-Q696 HydrophobicContact CG1-CB 4.42Å; D693-Q696 HydrophobicContact CB-CG 4.27Å; D693-Q696 WeakPolarHBondContact O-CB 3.25Å; D693-Q696 PolarHBondContact O-N 2.72Å; I694-Q696 PolarHBondContact O-N 2.81Å
697	L	59.1	Low	63.5	Low	74 Å²	74	73.2 Å²	73.2	39%	0.387	40%	0.4	S	S	.	.			trans	-69.2	130.7	177.6	-75.1	158.8	0	0	0	110.4	I694 S699	I694-L697 HydrophobicContact CG2-CD1 4.34Å; I694-L697 PolarHBondContact O-N 2.78Å; L697-S699 WeakPolarHBondContact CB-O 3.31Å
698	S	70.4	Confident	66.2	Low	27 Å²	27	75.2 Å²	75.2	19%	0.189	40%	0.402	C	S	.	.	S	Bend	trans	-66.2	-45.1	178.3	60.8	0	0	0	0	111.3	N797 G798 E799 R963	S698-N797 PolarHBondContact N-O 3.2Å; S698-N797 PolarHBondContact OG-O 2.8Å; S698-G798 PolarHBondContact OG-O 3.03Å; S698-E799 PolarHBondContact OG-N 3.28Å; S698-E799 VanDerWaalsContact OG-N 3.1Å; S698-R963 PolarHBondContact O-NH1 2.88Å; S698-R963 PolarHBondContact O-NH2 2.78Å
699	S	74.2	Confident	68.8	Low	8 Å²	8	72.7 Å²	72.7	6%	0.056	38%	0.384	C	S	.	.			trans	-95.2	140.5	172.2	52.3	0	0	0	0	111.8	L697 I702 D965	L697-S699 WeakPolarHBondContact CB-O 3.31Å; S699-I702 WeakPolarHBondContact CB-O 3.34Å; S699-I702 PolarHBondContact OG-O 2.93Å; S699-D965 WeakPolarHBondContact CA-OD2 3.36Å
700	K	80.8	Confident	71.3	Confident	142 Å²	142	72.8 Å²	72.8	62%	0.617	39%	0.385	S	S	*	.	S	Bend	trans	-97.3	-34.9	-176.1	-66.5	-167.3	178	-171.5	0	112.8	D965 I969	K700-D965 PolarHBondContact N-OD2 3.35Å; K700-I969 HydrophobicContact CB-CD1 3.82Å; K700-I969 HydrophobicContact CD-CD1 4.47Å; K700-I969 HydrophobicContact CD-CG2 4.34Å; K700-I969 HydrophobicContact CG-CG2 4.44Å
701	T	88.9	Confident	73.5	Confident	9 Å²	9	74.6 Å²	74.6	6%	0.055	39%	0.387	C	S	.	.	S	Bend	trans	-126.7	-3.6	-177.7	75.1	0	0	0	0	114	H722 L723 D965 E966 I969	T701-H722 WeakPolarHBondContact O-CA 3.26Å; T701-H722 PolarHBondContact O-CD2 3.31Å; T701-H722 PolarHBondContact OG1-CD2 3Å; T701-L723 WeakPolarHBondContact O-CB 3.27Å; T701-L723 WeakPolarHBondContact O-CG 3.31Å; T701-L723 PolarHBondContact O-N 2.94Å; T701-D965 PolarHBondContact OG1-OD1 2.97Å; T701-E966 WeakPolarHBondContact CG2-OE1 3.12Å; T701-E966 PolarHBondContact OG1-OE1 2.96Å; T701-I969 HydrophobicContact CG2-CD1 3.78Å
702	I	91.2	Very high	75.9	Confident	3 Å²	3	70 Å²	70	2%	0.015	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.1	176.5	-59.7	-60.4	0	0	0	110.8	S699 F704 M720 K721 H722 F964 D965	S699-I702 WeakPolarHBondContact CB-O 3.34Å; S699-I702 PolarHBondContact OG-O 2.93Å; I702-F704 HydrophobicContact CG2-CE2 4.32Å; I702-F704 HydrophobicContact CG2-CZ 4.38Å; I702-M720 HydrophobicContact CG2-CB 3.86Å; I702-K721 CarbonylContact C-O 3.6Å; I702-K721 WeakPolarHBondContact CA-O 3.14Å; I702-H722 HydrophobicContact CD1-CB 3.7Å; I702-F964 HydrophobicContact CD1-CD1 4.27Å; I702-F964 HydrophobicContact CD1-CE1 4.13Å; I702-F964 HydrophobicContact CG1-CD1 3.97Å; I702-F964 HydrophobicContact CG1-CE1 4.35Å; I702-F964 HydrophobicContact CG2-CD1 4.05Å; I702-D965 HydrophobicContact CG1-CB 4.48Å
703	E	92	Very high	78	Confident	82 Å²	82	74.5 Å²	74.5	38%	0.383	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.8	166.1	179.6	-177	-141.7	0	0	109.5	K721 L723	E703-K721 PolarHBondContact N-O 3.1Å; E703-K721 PolarHBondContact O-N 3.19Å; E703-L723 HydrophobicContact CB-CD2 3.82Å; E703-L723 HydrophobicContact CB-CG 4.34Å
704	F	93.2	Very high	79.8	Confident	14 Å²	14	71.2 Å²	71.2	6%	0.061	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.1	174.6	-66.5	-87.6	0	0	0	110.2	I702 I718 M720 L794 G798 L800 F964	I702-F704 HydrophobicContact CG2-CE2 4.32Å; I702-F704 HydrophobicContact CG2-CZ 4.38Å; F704-I718 HydrophobicContact CB-CG2 4.48Å; F704-I718 HydrophobicContact CD1-CG2 3.84Å; F704-M720 HydrophobicContact CD1-CG 3.61Å; F704-M720 HydrophobicContact CE1-CG 3.56Å; F704-M720 HydrophobicContact CE1-SD 4.24Å; F704-L794 HydrophobicContact CB-CD1 3.73Å; F704-L794 HydrophobicContact CB-CD2 4.39Å; F704-G798 WeakPolarHBondContact CD2-O 3.31Å; F704-L800 HydrophobicContact CD1-CD2 4.1Å; F704-L800 HydrophobicContact CE1-CD2 4.08Å; F704-F964 HydrophobicContact CE1-CB 4.06Å; F704-F964 HydrophobicContact CZ-CB 3.9Å
705	N	93.3	Very high	82	Confident	61 Å²	61	65 Å²	65	33%	0.326	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.5	170.8	-74.7	-62.6	0	0	0	109.2	I718 T719	N705-I718 CarbonylContact O-C 3.52Å; N705-I718 WeakPolarHBondContact O-CA 3.16Å; N705-T719 PolarHBondContact N-O 3.08Å; N705-T719 PolarHBondContact O-N 3.37Å
706	A	92.1	Very high	83.9	Confident	13 Å²	13	58.4 Å²	58.4	11%	0.107	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.5	179.3	0	0	0	0	0	110.4	L716 I718 F780 L794	A706-L716 HydrophobicContact CB-CD1 4.37Å; A706-I718 HydrophobicContact CB-CD1 3.51Å; A706-F780 HydrophobicContact CB-CD2 4.3Å; A706-F780 HydrophobicContact CB-CE2 3.29Å; A706-F780 HydrophobicContact CB-CZ 3.5Å; A706-L794 HydrophobicContact CB-CD2 4.47Å
707	H	88.1	Confident	85.7	Confident	90 Å²	90	57.9 Å²	57.9	42%	0.417	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.4	-179	-59.4	-71.8	0	0	0	110.5	I717 T719	H707-I717 PolarHBondContact N-O 3.47Å; H707-I717 PolarHBondContact O-N 2.83Å; H707-T719 PolarHBondContact CD2-OG1 3.38Å; H707-T719 VanDerWaalsContact CD2-OG1 3.29Å
708	F	88.5	Confident	87.4	Confident	89 Å²	89	54.4 Å²	54.4	39%	0.39	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.2	168.9	173.7	-110.7	0	0	0	109.1	E710 P715 V769 F780	F708-E710 HydrophobicContact CD1-CG 4.14Å; F708-E710 HydrophobicContact CE1-CB 4.49Å; F708-E710 HydrophobicContact CE1-CG 3.46Å; F708-E710 VanDerWaalsContact CE1-CG 3.46Å; F708-E710 HydrophobicContact CZ-CG 4.17Å; F708-P715 CarbonylContact C-O 3.51Å; F708-P715 WeakPolarHBondContact CA-O 2.79Å; F708-P715 HydrophobicContact CD2-CB 3.88Å; F708-P715 HydrophobicContact CE2-CB 3.61Å; F708-P715 HydrophobicContact CE2-CG 4.36Å; F708-V769 HydrophobicContact CD2-CB 4.17Å; F708-V769 HydrophobicContact CD2-CG1 3.96Å; F708-V769 HydrophobicContact CD2-CG2 4.27Å; F708-V769 HydrophobicContact CE2-CB 3.64Å; F708-V769 HydrophobicContact CE2-CG1 3.97Å; F708-V769 HydrophobicContact CE2-CG2 3.69Å; F708-V769 HydrophobicContact CZ-CB 4.37Å; F708-F780 HydrophobicContact CB-CE1 4.24Å
709	I	87.3	Confident	88.6	Confident	74 Å²	74	54.1 Å²	54.1	38%	0.379	27%	0.268	S	S	.	.			trans	-110.1	109.3	177.5	-57.3	178.2	0	0	0	107.6	S712 P715 I717	I709-S712 PolarHBondContact O-N 2.71Å; I709-P715 PolarHBondContact N-O 2.75Å; I709-P715 WeakPolarHBondContact O-CB 3.45Å; I709-I717 HydrophobicContact CD1-CD1 3.39Å; I709-I717 HydrophobicContact CD1-CG1 3.87Å
710	E	82.9	Confident	89.4	Confident	151 Å²	151	53.8 Å²	53.8	71%	0.706	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	144	173.2	-74.2	179.1	-178.5	0	0	110.8	F708 S712	F708-E710 HydrophobicContact CD1-CG 4.14Å; F708-E710 HydrophobicContact CE1-CB 4.49Å; F708-E710 HydrophobicContact CE1-CG 3.46Å; F708-E710 VanDerWaalsContact CE1-CG 3.46Å; F708-E710 HydrophobicContact CZ-CG 4.17Å; E710-S712 PolarHBondContact O-N 3.43Å
711	D	80.9	Confident	90	Very high	128 Å²	128	51.1 Å²	51.1	68%	0.684	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	5.6	179.1	-63.7	-44.9	0	0	0	118.3	R766	D711-R766 IonicContact OD1-CZ 2.81Å; D711-R766 IonicContact OD1-NH1 3.72Å; D711-R766 PolarHBondContact OD1-NH1 3.31Å
712	S	85.9	Confident	90.1	Very high	37 Å²	37	50.9 Å²	50.9	26%	0.259	25%	0.252	S	S	.	.			trans	-78.2	144.9	170.8	176.9	0	0	0	0	112.4	I709 E710 N714 R766	I709-S712 PolarHBondContact O-N 2.71Å; E710-S712 PolarHBondContact O-N 3.43Å; S712-N714 PolarHBondContact O-N 2.6Å; S712-N714 PolarHBondContact OG-N 3.07Å; S712-N714 VanDerWaalsContact OG-N 3.15Å; S712-N714 PolarHBondContact OG-O 3.02Å; S712-R766 WeakPolarHBondContact O-CD 3.44Å; S712-R766 WeakPolarHBondContact O-CG 3.15Å
713	H	85.3	Confident	90	Very high	155 Å²	155	55.5 Å²	55.5	72%	0.718	28%	0.276	S	S	*	.	S	Bend	trans	-65.7	-30.3	170.7	-76.2	78.4	0	0	0	112.2
714	N	88.5	Confident	89.8	Confident	23 Å²	23	59.7 Å²	59.7	12%	0.123	29%	0.293	C	S	.	.	S	Bend	trans	-116.8	88.9	167.4	-169.5	-11.2	0	0	0	108	S712 L716 I733	S712-N714 PolarHBondContact O-N 2.6Å; S712-N714 PolarHBondContact OG-N 3.07Å; S712-N714 VanDerWaalsContact OG-N 3.15Å; S712-N714 PolarHBondContact OG-O 3.02Å; N714-L716 VanDerWaalsContact C-N 3.29Å; N714-L716 PolarHBondContact O-N 3.15Å; N714-L716 PolarHBondContact OD1-O 3.09Å; N714-I733 PolarHBondContact ND2-O 3.06Å; N714-I733 PolarHBondContact OD1-O 3.18Å; N714-I733 VanDerWaalsContact OD1-O 3.12Å
715	P	89.6	Confident	89.5	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.019	30%	0.298	C	S	.	.			trans	-76.8	-13.4	-169.1	30	-35.7	0	0	0	114	F708 I709 P767 V769 L782	F708-P715 CarbonylContact C-O 3.51Å; F708-P715 WeakPolarHBondContact CA-O 2.79Å; F708-P715 HydrophobicContact CD2-CB 3.88Å; F708-P715 HydrophobicContact CE2-CB 3.61Å; F708-P715 HydrophobicContact CE2-CG 4.36Å; I709-P715 PolarHBondContact N-O 2.75Å; I709-P715 WeakPolarHBondContact O-CB 3.45Å; P715-P767 HydrophobicContact CG-CG 3.79Å; P715-V769 HydrophobicContact CB-CG2 4.31Å; P715-V769 HydrophobicContact CG-CG2 3.65Å; P715-L782 HydrophobicContact CG-CD2 4.48Å
716	L	93.7	Very high	89.2	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.9	180	-178.3	65.8	0	0	0	110.7	A706 N714 I718 F780 L782 V792	A706-L716 HydrophobicContact CB-CD1 4.37Å; N714-L716 VanDerWaalsContact C-N 3.29Å; N714-L716 PolarHBondContact O-N 3.15Å; N714-L716 PolarHBondContact OD1-O 3.09Å; L716-I718 HydrophobicContact CD1-CD1 4.12Å; L716-I718 HydrophobicContact CD2-CD1 4.36Å; L716-I718 HydrophobicContact CG-CD1 4.19Å; L716-F780 HydrophobicContact CD1-CB 4.4Å; L716-F780 HydrophobicContact CD1-CD1 3.72Å; L716-F780 HydrophobicContact CD1-CD2 3.99Å; L716-F780 HydrophobicContact CD1-CE1 3.87Å; L716-F780 HydrophobicContact CD1-CE2 4.15Å; L716-F780 HydrophobicContact CD1-CG 3.77Å; L716-F780 HydrophobicContact CD1-CZ 4.07Å; L716-F780 HydrophobicContact CD2-CB 4.18Å; L716-F780 HydrophobicContact CD2-CG 4.35Å; L716-L782 HydrophobicContact CB-CD2 4.11Å; L716-L782 HydrophobicContact CD2-CD1 4.01Å; L716-V792 HydrophobicContact CD2-CB 3.59Å; L716-V792 HydrophobicContact CD2-CG1 3.89Å; L716-V792 HydrophobicContact CD2-CG2 3.45Å; L716-V792 VanDerWaalsContact CD2-CG2 3.45Å
717	I	93.9	Very high	89	Confident	30 Å²	30	58.1 Å²	58.1	15%	0.154	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129	171.2	-60.4	-166.8	0	0	0	109	H707 I709 N730	H707-I717 PolarHBondContact N-O 3.47Å; H707-I717 PolarHBondContact O-N 2.83Å; I709-I717 HydrophobicContact CD1-CD1 3.39Å; I709-I717 HydrophobicContact CD1-CG1 3.87Å; I717-N730 HydrophobicContact CG2-CB 3.59Å
718	I	95.5	Very high	89	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	109.8	171.2	-50	-58.9	0	0	0	108.5	F704 N705 A706 L716 M720 N730 L731 I733 V792 L800	F704-I718 HydrophobicContact CB-CG2 4.48Å; F704-I718 HydrophobicContact CD1-CG2 3.84Å; N705-I718 CarbonylContact O-C 3.52Å; N705-I718 WeakPolarHBondContact O-CA 3.16Å; A706-I718 HydrophobicContact CB-CD1 3.51Å; L716-I718 HydrophobicContact CD1-CD1 4.12Å; L716-I718 HydrophobicContact CD2-CD1 4.36Å; L716-I718 HydrophobicContact CG-CD1 4.19Å; I718-M720 HydrophobicContact CG2-CG 4.48Å; I718-N730 CarbonylContact O-C 3.57Å; I718-N730 WeakPolarHBondContact O-CA 3.43Å; I718-L731 HydrophobicContact CB-CB 4.25Å; I718-L731 PolarHBondContact N-O 3.41Å; I718-L731 PolarHBondContact O-N 3.07Å; I718-I733 HydrophobicContact CG1-CD1 4.09Å; I718-V792 HydrophobicContact CD1-CG1 4.25Å; I718-L800 HydrophobicContact CD1-CD1 4.47Å; I718-L800 HydrophobicContact CG1-CD2 4.43Å; I718-L800 HydrophobicContact CG2-CD2 4.05Å
719	T	94.1	Very high	89.2	Confident	22 Å²	22	55.2 Å²	55.2	14%	0.135	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.6	172.2	-63.3	0	0	0	0	109.4	N705 H707 Y728 M729 N730	N705-T719 PolarHBondContact N-O 3.08Å; N705-T719 PolarHBondContact O-N 3.37Å; H707-T719 PolarHBondContact CD2-OG1 3.38Å; H707-T719 VanDerWaalsContact CD2-OG1 3.29Å; T719-Y728 HydrophobicContact CG2-CD2 4.09Å; T719-Y728 HydrophobicContact CG2-CG 4.37Å; T719-M729 WeakPolarHBondContact CA-O 3.45Å; T719-N730 PolarHBondContact OG1-OD1 3.4Å
720	M	92.6	Very high	89.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	104.5	177.9	-59.1	150.2	-60.3	0	0	107.5	I702 F704 I718 Y728 M729 L731 L826 F964	I702-M720 HydrophobicContact CG2-CB 3.86Å; F704-M720 HydrophobicContact CD1-CG 3.61Å; F704-M720 HydrophobicContact CE1-CG 3.56Å; F704-M720 HydrophobicContact CE1-SD 4.24Å; I718-M720 HydrophobicContact CG2-CG 4.48Å; M720-Y728 CarbonylContact O-C 3.43Å; M720-Y728 WeakPolarHBondContact O-CA 2.97Å; M720-Y728 WeakPolarHBondContact O-CB 3.22Å; M720-M729 VanDerWaalsContact CE-C 3.47Å; M720-M729 HydrophobicContact CE-CB 3.69Å; M720-M729 WeakPolarHBondContact CE-O 3.45Å; M720-M729 PolarHBondContact N-O 3.24Å; M720-M729 PolarHBondContact O-N 2.77Å; M720-L731 HydrophobicContact CE-CB 3.55Å; M720-L731 HydrophobicContact SD-CB 3.81Å; M720-L731 HydrophobicContact SD-CD2 4.47Å; M720-L826 HydrophobicContact CE-CD2 3.69Å; M720-L826 HydrophobicContact SD-CD2 4.31Å; M720-F964 HydrophobicContact CB-CD1 3.66Å; M720-F964 HydrophobicContact CB-CE1 3.51Å; M720-F964 HydrophobicContact CB-CG 4.49Å; M720-F964 HydrophobicContact CB-CZ 4.22Å; M720-F964 HydrophobicContact CE-CE1 4.38Å; M720-F964 HydrophobicContact CE-CE2 4.22Å; M720-F964 HydrophobicContact CE-CZ 4.03Å; M720-F964 HydrophobicContact CG-CD1 3.95Å; M720-F964 HydrophobicContact CG-CE1 4.16Å; M720-F964 HydrophobicContact CG-CG 4.31Å; M720-F964 HydrophobicContact SD-CB 4.03Å; M720-F964 HydrophobicContact SD-CD1 3.73Å; M720-F964 HydrophobicContact SD-CD2 3.75Å; M720-F964 HydrophobicContact SD-CE1 3.91Å; M720-F964 HydrophobicContact SD-CE2 3.93Å; M720-F964 HydrophobicContact SD-CG 3.59Å; M720-F964 VanDerWaalsContact SD-CG 3.59Å; M720-F964 HydrophobicContact SD-CZ 3.94Å
721	K	91.7	Very high	90.1	Very high	87 Å²	87	46.3 Å²	46.3	38%	0.378	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.5	-175.8	-177.3	-175.8	174.8	-169.5	0	110.2	I702 E703 L723	I702-K721 CarbonylContact C-O 3.6Å; I702-K721 WeakPolarHBondContact CA-O 3.14Å; E703-K721 PolarHBondContact N-O 3.1Å; E703-K721 PolarHBondContact O-N 3.19Å; K721-L723 PolarHBondContact O-N 3.18Å
722	H	91.2	Very high	90.8	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	119.4	172.7	-178.6	-110.2	0	0	0	110.8	T701 I702 K724 S725 G726 G727 L889 I902 E966	T701-H722 WeakPolarHBondContact O-CA 3.26Å; T701-H722 PolarHBondContact O-CD2 3.31Å; T701-H722 PolarHBondContact OG1-CD2 3Å; I702-H722 HydrophobicContact CD1-CB 3.7Å; H722-K724 PolarHBondContact O-N 2.84Å; H722-S725 WeakPolarHBondContact ND1-CB 3.49Å; H722-S725 PolarHBondContact ND1-N 3.4Å; H722-S725 VanDerWaalsContact ND1-N 3.11Å; H722-S725 PolarHBondContact ND1-OG 2.72Å; H722-G726 VanDerWaalsContact O-CA 3.25Å; H722-G726 WeakPolarHBondContact O-CA 3.41Å; H722-G726 PolarHBondContact O-N 2.81Å; H722-G727 WeakPolarHBondContact CB-O 3.31Å; H722-G727 PolarHBondContact N-O 3.01Å; H722-L889 HydrophobicContact CB-CD2 3.71Å; H722-I902 WeakPolarHBondContact CE1-CD1 3.41Å; H722-I902 WeakPolarHBondContact ND1-CD1 3.39Å; H722-E966 IonicContact NE2-OE1 3.89Å; H722-E966 PolarHBondContact NE2-OE1 2.75Å
723	L	90.4	Very high	91.3	Very high	101 Å²	101	39.2 Å²	39.2	53%	0.529	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-38.9	-169.2	-70.1	173.7	0	0	0	112.9	T701 E703 K721	T701-L723 WeakPolarHBondContact O-CB 3.27Å; T701-L723 WeakPolarHBondContact O-CG 3.31Å; T701-L723 PolarHBondContact O-N 2.94Å; E703-L723 HydrophobicContact CB-CD2 3.82Å; E703-L723 HydrophobicContact CB-CG 4.34Å; K721-L723 PolarHBondContact O-N 3.18Å
724	K	87.5	Confident	91.8	Very high	169 Å²	169	33.5 Å²	33.5	74%	0.735	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-40.9	-176.5	-65.4	174.2	-177.6	165.6	0	113.3	H722	H722-K724 PolarHBondContact O-N 2.84Å
725	S	86.6	Confident	92.2	Very high	25 Å²	25	32.5 Å²	32.5	18%	0.175	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-17.7	-177.9	71.3	0	0	0	0	113.7	H722 G727 P892	H722-S725 WeakPolarHBondContact ND1-CB 3.49Å; H722-S725 PolarHBondContact ND1-N 3.4Å; H722-S725 VanDerWaalsContact ND1-N 3.11Å; H722-S725 PolarHBondContact ND1-OG 2.72Å; S725-G727 PolarHBondContact O-N 2.96Å; S725-G727 VanDerWaalsContact O-N 3.15Å; S725-G727 PolarHBondContact OG-N 3.47Å; S725-P892 WeakPolarHBondContact O-CD 3.5Å
726	G	87	Confident	92.6	Very high	28 Å²	28	32.4 Å²	32.4	29%	0.289	16%	0.162	S	C	.	.			trans	71.1	-5.3	-170.5	0	0	0	0	0	114.6	H722	H722-G726 VanDerWaalsContact O-CA 3.25Å; H722-G726 WeakPolarHBondContact O-CA 3.41Å; H722-G726 PolarHBondContact O-N 2.81Å
727	G	87.1	Confident	92.8	Very high	2 Å²	2	34 Å²	34	2%	0.021	17%	0.168	C	C	.	.			trans	-63.4	148.3	173.8	0	0	0	0	0	110.7	H722 S725 P892	H722-G727 WeakPolarHBondContact CB-O 3.31Å; H722-G727 PolarHBondContact N-O 3.01Å; S725-G727 PolarHBondContact O-N 2.96Å; S725-G727 VanDerWaalsContact O-N 3.15Å; S725-G727 PolarHBondContact OG-N 3.47Å; G727-P892 VanDerWaalsContact CA-CD 3.49Å
728	Y	89.2	Confident	93	Very high	118 Å²	118	33.1 Å²	33.1	46%	0.463	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	163	-178.6	66	-87.3	0	0	0	111.6	T719 M720 N828	T719-Y728 HydrophobicContact CG2-CD2 4.09Å; T719-Y728 HydrophobicContact CG2-CG 4.37Å; M720-Y728 CarbonylContact O-C 3.43Å; M720-Y728 WeakPolarHBondContact O-CA 2.97Å; M720-Y728 WeakPolarHBondContact O-CB 3.22Å; Y728-N828 PolarHBondContact O-ND2 2.89Å
729	M	91.6	Very high	93.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.2	167.5	-81.3	-176.5	-103.7	0	0	109.1	T719 M720 N828 M831 I887 L889 I904 F964	T719-M729 WeakPolarHBondContact CA-O 3.45Å; M720-M729 VanDerWaalsContact CE-C 3.47Å; M720-M729 HydrophobicContact CE-CB 3.69Å; M720-M729 WeakPolarHBondContact CE-O 3.45Å; M720-M729 PolarHBondContact N-O 3.24Å; M720-M729 PolarHBondContact O-N 2.77Å; M729-N828 HydrophobicContact CG-CB 4.25Å; M729-M831 HydrophobicContact SD-CG 4.14Å; M729-M831 HydrophobicContact SD-SD 4.26Å; M729-I887 HydrophobicContact CE-CG2 3.75Å; M729-I887 HydrophobicContact SD-CG2 3.67Å; M729-L889 HydrophobicContact CE-CB 3.92Å; M729-L889 HydrophobicContact CE-CD1 3.89Å; M729-L889 HydrophobicContact CE-CG 4.32Å; M729-L889 HydrophobicContact CG-CD1 4Å; M729-I904 HydrophobicContact CE-CB 4.1Å; M729-I904 HydrophobicContact CE-CG1 3.91Å; M729-I904 HydrophobicContact CE-CG2 4.19Å; M729-F964 HydrophobicContact CB-CZ 4.04Å; M729-F964 HydrophobicContact CE-CE1 4.3Å; M729-F964 HydrophobicContact CE-CE2 4.03Å; M729-F964 HydrophobicContact CE-CZ 3.36Å; M729-F964 HydrophobicContact CG-CZ 4.41Å; M729-F964 HydrophobicContact SD-CE2 4.21Å; M729-F964 HydrophobicContact SD-CZ 3.81Å
730	N	94	Very high	93.3	Very high	39 Å²	39	33.3 Å²	33.3	21%	0.209	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.1	174	-70.1	-25.6	0	0	0	109.6	I717 I718 T719 L826 N827	I717-N730 HydrophobicContact CG2-CB 3.59Å; I718-N730 CarbonylContact O-C 3.57Å; I718-N730 WeakPolarHBondContact O-CA 3.43Å; T719-N730 PolarHBondContact OG1-OD1 3.4Å; N730-L826 CarbonylContact O-C 3.59Å; N730-L826 WeakPolarHBondContact O-CA 3.39Å; N730-N827 HydrophobicContact CB-CB 4.41Å; N730-N827 WeakPolarHBondContact CB-O 3.41Å; N730-N827 PolarHBondContact N-O 3.48Å; N730-N827 VanDerWaalsContact N-O 3.08Å; N730-N827 PolarHBondContact O-N 3.08Å
731	L	95.6	Very high	93.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	118.9	172.4	179.1	71.4	0	0	0	108.4	I718 M720 I733 L800 L826 L906 I962	I718-L731 HydrophobicContact CB-CB 4.25Å; I718-L731 PolarHBondContact N-O 3.41Å; I718-L731 PolarHBondContact O-N 3.07Å; M720-L731 HydrophobicContact CE-CB 3.55Å; M720-L731 HydrophobicContact SD-CB 3.81Å; M720-L731 HydrophobicContact SD-CD2 4.47Å; L731-I733 HydrophobicContact CG-CG1 4.44Å; L731-L800 HydrophobicContact CD2-CD2 4.43Å; L731-L826 HydrophobicContact CB-CD2 4.36Å; L731-L826 HydrophobicContact CD1-CD2 3.84Å; L731-L826 HydrophobicContact CD1-CG 4.41Å; L731-L906 HydrophobicContact CD1-CD2 4.4Å; L731-I962 HydrophobicContact CD2-CD1 4.23Å; L731-I962 HydrophobicContact CD2-CG2 4.11Å
732	S	95.5	Very high	93.7	Very high	13 Å²	13	30.4 Å²	30.4	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	135.5	172.3	-65.1	0	0	0	0	109.9	Y824 T825 N827	S732-Y824 WeakPolarHBondContact O-CA 3.06Å; S732-T825 PolarHBondContact N-O 3.06Å; S732-T825 PolarHBondContact O-N 3.3Å; S732-N827 PolarHBondContact OG-ND2 3.34Å
733	I	96.6	Very high	93.8	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.6	-179.4	-53	167.1	0	0	0	107.3	N714 I718 L731 L790 V792 V802 I822 R823 Y824 I962	N714-I733 PolarHBondContact ND2-O 3.06Å; N714-I733 PolarHBondContact OD1-O 3.18Å; N714-I733 VanDerWaalsContact OD1-O 3.12Å; I718-I733 HydrophobicContact CG1-CD1 4.09Å; L731-I733 HydrophobicContact CG-CG1 4.44Å; I733-L790 HydrophobicContact CG2-CD1 3.87Å; I733-V792 HydrophobicContact CD1-CG1 4.19Å; I733-V792 HydrophobicContact CD1-CG2 4.12Å; I733-V802 HydrophobicContact CD1-CG2 3.86Å; I733-V802 HydrophobicContact CG2-CG1 4.43Å; I733-I822 HydrophobicContact CG2-CD1 3.87Å; I733-I822 HydrophobicContact CG2-CG1 4.16Å; I733-R823 WeakPolarHBondContact CA-O 3.44Å; I733-Y824 HydrophobicContact CB-CD1 4.5Å; I733-Y824 HydrophobicContact CB-CE1 4.47Å; I733-Y824 HydrophobicContact CD1-CE1 4.34Å; I733-Y824 HydrophobicContact CG1-CD1 3.88Å; I733-Y824 HydrophobicContact CG1-CE1 3.98Å; I733-Y824 HydrophobicContact CG2-CD1 4.21Å; I733-Y824 HydrophobicContact CG2-CE1 3.79Å; I733-I962 HydrophobicContact CD1-CD1 4.45Å
734	E	95.2	Very high	93.6	Very high	35 Å²	35	39.4 Å²	39.4	16%	0.164	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	142.5	178.3	47.6	169.7	-174.6	0	0	112	L736 I822 R823	E734-L736 HydrophobicContact CB-CD1 4.44Å; E734-L736 HydrophobicContact CG-CD1 3.8Å; E734-L736 HydrophobicContact CG-CG 4.48Å; E734-I822 WeakPolarHBondContact O-CA 3.45Å; E734-R823 HydrophobicContact CG-CB 4.18Å; E734-R823 PolarHBondContact N-O 3.48Å; E734-R823 PolarHBondContact O-N 2.9Å; E734-R823 VanDerWaalsContact OE1-CD 3.32Å; E734-R823 WeakPolarHBondContact OE1-CD 3.45Å; E734-R823 IonicContact OE1-NH1 2.76Å
735	L	98	Very high	93.7	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	139.1	164.2	-73.1	-177.7	0	0	0	109.8	F764 Y784 A788 L790 I822 L928	L735-F764 HydrophobicContact CB-CD2 4.14Å; L735-F764 HydrophobicContact CB-CE2 4Å; L735-F764 VanDerWaalsContact O-CD2 3.32Å; L735-F764 WeakPolarHBondContact O-CD2 3.46Å; L735-Y784 HydrophobicContact CB-CD2 4.21Å; L735-Y784 HydrophobicContact CB-CE2 4.21Å; L735-Y784 HydrophobicContact CB-CG 4.44Å; L735-Y784 HydrophobicContact CD1-CD2 3.84Å; L735-Y784 HydrophobicContact CD1-CE2 4.2Å; L735-Y784 HydrophobicContact CG-CD2 4.22Å; L735-Y784 HydrophobicContact CG-CE2 4.15Å; L735-A788 HydrophobicContact CD1-CB 3.95Å; L735-L790 HydrophobicContact CD1-CD2 3.83Å; L735-L790 HydrophobicContact CD1-CG 3.85Å; L735-L790 HydrophobicContact CD2-CD2 3.77Å; L735-L790 HydrophobicContact CD2-CG 4.36Å; L735-L790 HydrophobicContact CG-CD1 4.02Å; L735-L790 HydrophobicContact CG-CD2 3.75Å; L735-L790 HydrophobicContact CG-CG 3.79Å; L735-I822 HydrophobicContact CD2-CB 3.9Å; L735-I822 HydrophobicContact CD2-CD1 4.36Å; L735-I822 HydrophobicContact CD2-CG1 4.19Å; L735-L928 HydrophobicContact CD2-CD1 3.71Å
736	L	98	Very high	94.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	172.7	173.4	-50.9	104	0	0	0	109.1	E734 I761 Q762 K763 L820 V821 R823	E734-L736 HydrophobicContact CB-CD1 4.44Å; E734-L736 HydrophobicContact CG-CD1 3.8Å; E734-L736 HydrophobicContact CG-CG 4.48Å; L736-I761 HydrophobicContact CB-CD1 3.51Å; L736-I761 HydrophobicContact CB-CG1 3.82Å; L736-I761 HydrophobicContact CD1-CD1 4.33Å; L736-I761 HydrophobicContact CD2-CD1 3.95Å; L736-I761 HydrophobicContact CD2-CG1 4.25Å; L736-I761 HydrophobicContact CD2-CG2 4.18Å; L736-I761 HydrophobicContact CG-CD1 4.13Å; L736-Q762 WeakPolarHBondContact CA-O 2.9Å; L736-Q762 WeakPolarHBondContact CB-O 3.35Å; L736-K763 HydrophobicContact CD2-CG 3.97Å; L736-L820 VanDerWaalsContact O-CD1 3.25Å; L736-L820 WeakPolarHBondContact O-CD1 3.5Å; L736-V821 HydrophobicContact CB-CG2 3.87Å; L736-V821 HydrophobicContact CD1-CG2 4.35Å; L736-V821 PolarHBondContact N-O 3.38Å; L736-V821 PolarHBondContact O-N 2.88Å; L736-R823 HydrophobicContact CD1-CB 3.49Å; L736-R823 VanDerWaalsContact CD1-CB 3.49Å; L736-R823 HydrophobicContact CD1-CG 4.37Å
737	Y	98.3	Very high	94.6	Very high	36 Å²	36	33.6 Å²	33.6	14%	0.141	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	150.4	169.4	64.4	-82.9	0	0	0	112.3	L739 I761 Q762 F764 W787 R818 E819	Y737-L739 HydrophobicContact CE2-CD2 4.08Å; Y737-L739 HydrophobicContact CE2-CG 4.49Å; Y737-I761 WeakPolarHBondContact O-CG1 3.39Å; Y737-Q762 HydrophobicContact CD1-CB 3.92Å; Y737-Q762 HydrophobicContact CD2-CB 3.96Å; Y737-Q762 HydrophobicContact CD2-CG 4.12Å; Y737-Q762 HydrophobicContact CE1-CB 3.53Å; Y737-Q762 HydrophobicContact CE1-CG 4.44Å; Y737-Q762 HydrophobicContact CE2-CB 3.58Å; Y737-Q762 HydrophobicContact CE2-CG 3.59Å; Y737-Q762 HydrophobicContact CG-CB 4.12Å; Y737-Q762 PolarHBondContact N-O 3.31Å; Y737-Q762 WeakPolarHBondContact O-CB 3.13Å; Y737-Q762 PolarHBondContact O-N 2.98Å; Y737-F764 HydrophobicContact CD1-CD2 4.33Å; Y737-F764 HydrophobicContact CD1-CE1 4.34Å; Y737-F764 AromaticContact CD1-CE2 3.66Å; Y737-F764 HydrophobicContact CD1-CE2 3.66Å; Y737-F764 AromaticContact CD1-CZ 3.67Å; Y737-F764 HydrophobicContact CD1-CZ 3.67Å; Y737-F764 HydrophobicContact CE1-CE1 4.32Å; Y737-F764 HydrophobicContact CE1-CE2 4.26Å; Y737-F764 HydrophobicContact CE1-CZ 4.1Å; Y737-W787 AromaticContact CD1-CH2 3.9Å; Y737-W787 HydrophobicContact CD1-CH2 3.9Å; Y737-W787 HydrophobicContact CD1-CZ2 4.21Å; Y737-W787 HydrophobicContact CE1-CH2 4.35Å; Y737-W787 HydrophobicContact CE1-CZ2 4.21Å; Y737-W787 HydrophobicContact CG-CH2 4.07Å; Y737-R818 HydrophobicContact CD2-CB 4.4Å; Y737-R818 HydrophobicContact CD2-CG 4.08Å; Y737-R818 HydrophobicContact CE2-CG 4.26Å; Y737-E819 CarbonylContact C-O 3.51Å; Y737-E819 VanDerWaalsContact CA-O 3.24Å; Y737-E819 WeakPolarHBondContact CA-O 3.32Å; Y737-E819 WeakPolarHBondContact CB-O 3.26Å
738	Y	98.3	Very high	95.1	Very high	11 Å²	11	33.5 Å²	33.5	4%	0.043	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	142.6	165.7	-68.9	-82.3	0	0	0	109.6	F753 P755 I761 R818 E819 V821 V871 L919 E925	Y738-F753 HydrophobicContact CD2-CE2 4.21Å; Y738-F753 AromaticContact CD2-CZ 3.79Å; Y738-F753 HydrophobicContact CD2-CZ 3.79Å; Y738-F753 HydrophobicContact CE2-CZ 4.11Å; Y738-F753 HydrophobicContact CG-CE2 4.27Å; Y738-F753 HydrophobicContact CG-CZ 4.16Å; Y738-P755 HydrophobicContact CD1-CB 3.89Å; Y738-P755 HydrophobicContact CD1-CG 3.85Å; Y738-P755 HydrophobicContact CE1-CB 4.48Å; Y738-P755 HydrophobicContact CE1-CG 4.19Å; Y738-P755 HydrophobicContact CG-CG 4.3Å; Y738-I761 HydrophobicContact CD1-CB 4.1Å; Y738-I761 HydrophobicContact CD1-CG1 4.1Å; Y738-I761 HydrophobicContact CD2-CD1 4.19Å; Y738-I761 HydrophobicContact CD2-CG1 4.22Å; Y738-I761 HydrophobicContact CE1-CB 3.66Å; Y738-I761 HydrophobicContact CE1-CD1 4.16Å; Y738-I761 HydrophobicContact CE1-CG1 3.88Å; Y738-I761 HydrophobicContact CE2-CD1 3.56Å; Y738-I761 HydrophobicContact CE2-CG1 3.98Å; Y738-I761 HydrophobicContact CG-CG1 4.29Å; Y738-R818 WeakPolarHBondContact O-CA 2.98Å; Y738-E819 PolarHBondContact N-O 2.84Å; Y738-E819 PolarHBondContact O-N 3.49Å; Y738-V821 HydrophobicContact CD2-CG1 4.05Å; Y738-V821 HydrophobicContact CE2-CG1 4.16Å; Y738-V821 HydrophobicContact CE2-CG2 4.41Å; Y738-V871 HydrophobicContact CE1-CG1 4.09Å; Y738-V871 HydrophobicContact CE1-CG2 4.4Å; Y738-V871 HydrophobicContact CE2-CG1 4.26Å; Y738-L919 WeakPolarHBondContact OH-CD1 3.06Å; Y738-E925 PolarHBondContact OH-OE1 2.67Å
739	L	97.8	Very high	95.5	Very high	27 Å²	27	27.9 Å²	27.9	14%	0.141	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	122.7	156.7	-67.3	174.1	0	0	0	106.4	Y737 P755 K756 T759 Q762 N816 S817 R818	Y737-L739 HydrophobicContact CE2-CD2 4.08Å; Y737-L739 HydrophobicContact CE2-CG 4.49Å; L739-P755 CarbonylContact O-C 3.43Å; L739-K756 HydrophobicContact CB-CB 4.03Å; L739-K756 HydrophobicContact CB-CD 4.32Å; L739-K756 VanDerWaalsContact O-CB 3.31Å; L739-K756 WeakPolarHBondContact O-CB 3.05Å; L739-K756 PolarHBondContact O-N 3.39Å; L739-T759 HydrophobicContact CD1-CG2 4.28Å; L739-Q762 HydrophobicContact CG-CG 4.3Å; L739-N816 HydrophobicContact CD2-CB 4.32Å; L739-S817 WeakPolarHBondContact CA-O 3.22Å; L739-R818 HydrophobicContact CD2-CG 4.16Å
740	G	97.2	Very high	95.8	Very high	1 Å²	1	28 Å²	28	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	145.2	175.2	0	0	0	0	0	110.8	T742 S817	G740-T742 PolarHBondContact O-N 3.31Å; G740-S817 PolarHBondContact N-O 2.84Å
741	E	96.9	Very high	96	Very high	9 Å²	9	26.4 Å²	26.4	4%	0.042	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-59.7	136.2	172.8	-174.6	52.1	-102.8	0	0	110.2	T743 Q746 P747 S748 L754 N757	E741-T743 WeakPolarHBondContact CG-O 3.5Å; E741-T743 PolarHBondContact OE1-N 3.36Å; E741-T743 PolarHBondContact OE1-OG1 3.25Å; E741-Q746 WeakPolarHBondContact CG-O 3.18Å; E741-P747 CarbonylContact O-C 3.56Å; E741-P747 WeakPolarHBondContact O-CA 3.01Å; E741-S748 PolarHBondContact O-N 3.09Å; E741-L754 HydrophobicContact CB-CB 4.38Å; E741-L754 HydrophobicContact CB-CD2 3.98Å; E741-L754 HydrophobicContact CB-CG 4.18Å; E741-L754 WeakPolarHBondContact CB-O 3.3Å; E741-L754 HydrophobicContact CG-CD2 4.2Å; E741-L754 PolarHBondContact N-O 2.87Å; E741-N757 PolarHBondContact OE2-N 3.03Å; E741-N757 VanDerWaalsContact OE2-N 3.16Å
742	T	96.2	Very high	96.1	Very high	16 Å²	16	26.4 Å²	26.4	10%	0.098	13%	0.132	C	C	.	.			trans	-119.9	-2.7	-176.8	51.1	0	0	0	0	112.4	G740 V933 R934	G740-T742 PolarHBondContact O-N 3.31Å; T742-V933 HydrophobicContact CG2-CG2 3.86Å; T742-R934 HydrophobicContact CG2-CG 4.32Å
743	T	93.1	Very high	96.3	Very high	85 Å²	85	25.8 Å²	25.8	52%	0.521	13%	0.127	S	C	.	.	S	Bend	trans	-134	-172.3	-173	63.4	0	0	0	0	111.5	E741 Q746	E741-T743 WeakPolarHBondContact CG-O 3.5Å; E741-T743 PolarHBondContact OE1-N 3.36Å; E741-T743 PolarHBondContact OE1-OG1 3.25Å; T743-Q746 CarbonylContact O-C 3.54Å
744	Y	86.2	Confident	96.3	Very high	208 Å²	208	26 Å²	26	82%	0.816	13%	0.129	S	C	*	.	S	Bend	trans	-55.8	143.9	175.5	-179	-85.7	0	0	0	111.4
745	P	89.5	Confident	96.4	Very high	53 Å²	53	25.4 Å²	25.4	34%	0.344	13%	0.127	S	C	.	.	S	Bend	cis	-85	-22	8.8	31.6	-33.7	0	0	0	115.4	H388	H388-P745 HydrophobicContact CB-CG 3.9Å; H388-P745 WeakPolarHBondContact CD2-CG 3.24Å
746	Q	95.9	Very high	96.3	Very high	18 Å²	18	28.1 Å²	28.1	8%	0.084	14%	0.139	C	C	.	.			trans	-154.1	112.4	-172.6	175.7	64.2	71.1	0	0	108.9	H388 S389 E741 T743 I752 L754 D936 F938	H388-Q746 HydrophobicContact CB-CB 4.17Å; H388-Q746 WeakPolarHBondContact O-CG 3.12Å; S389-Q746 PolarHBondContact OG-OE1 3.08Å; E741-Q746 WeakPolarHBondContact CG-O 3.18Å; T743-Q746 CarbonylContact O-C 3.54Å; Q746-I752 HydrophobicContact CG-CG1 4.29Å; Q746-I752 HydrophobicContact CG-CG2 3.95Å; Q746-L754 HydrophobicContact CB-CD2 4.21Å; Q746-L754 VanDerWaalsContact O-CD2 3.22Å; Q746-L754 WeakPolarHBondContact O-CD2 3.2Å; Q746-D936 PolarHBondContact NE2-O 3.25Å; Q746-F938 VanDerWaalsContact OE1-CE2 3.25Å
747	P	97.3	Very high	95.9	Very high	29 Å²	29	35.1 Å²	35.1	19%	0.188	18%	0.176	C	C	.	.			trans	-63.6	147.3	170.5	-20.9	33.1	0	0	0	111.2	E741 R934 D936	E741-P747 CarbonylContact O-C 3.56Å; E741-P747 WeakPolarHBondContact O-CA 3.01Å; P747-R934 HydrophobicContact CB-CB 3.95Å; P747-D936 WeakPolarHBondContact O-CB 3.47Å
748	S	97.6	Very high	95.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.205	C	C	.	.			trans	-66.6	139.2	158.5	-71.4	0	0	0	0	109.4	E741 L754	E741-S748 PolarHBondContact O-N 3.09Å; S748-L754 WeakPolarHBondContact OG-CA 3.31Å; S748-L754 PolarHBondContact OG-N 3.05Å; S748-L754 PolarHBondContact OG-O 3.43Å
749	G	97.6	Very high	94.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.217	C	C	.	.			trans	-158.1	-159.8	-177	0	0	0	0	0	111.9	Y751 I752 R930 L932 D936	G749-Y751 PolarHBondContact O-N 3.14Å; G749-Y751 VanDerWaalsContact O-N 3.15Å; G749-I752 PolarHBondContact N-O 2.98Å; G749-I752 PolarHBondContact O-N 3.28Å; G749-I752 VanDerWaalsContact O-O 3.1Å; G749-R930 PolarHBondContact O-NH1 3.26Å; G749-R930 PolarHBondContact O-NH2 2.86Å; G749-L932 VanDerWaalsContact CA-CD1 3.42Å; G749-L932 WeakPolarHBondContact O-CD1 3.28Å; G749-D936 WeakPolarHBondContact CA-OD2 3.42Å
750	A	97.1	Very high	94.5	Very high	4 Å²	4	45.6 Å²	45.6	3%	0.033	25%	0.247	C	C	.	.	S	Bend	trans	-51.6	-39.8	-175.6	0	0	0	0	0	112.9	S397 R930 D936 V940	S397-A750 PolarHBondContact OG-O 3.19Å; A750-R930 PolarHBondContact O-NH2 3.4Å; A750-D936 PolarHBondContact N-OD2 3.11Å; A750-D936 VanDerWaalsContact N-OD2 3.15Å; A750-V940 HydrophobicContact CB-CG2 4.33Å
751	Y	98.1	Very high	94.5	Very high	5 Å²	5	47.2 Å²	47.2	2%	0.02	26%	0.255	C	S	.	.	S	Bend	trans	-96.1	-45.9	179.8	-54	-83	0	0	0	112.6	W76 F197 W391 G393 Y394 T460 G749 D936 F938 V940	W76-Y751 PolarHBondContact NE1-OH 3Å; F197-Y751 HydrophobicContact CD1-CD1 4.49Å; F197-Y751 HydrophobicContact CD1-CE1 4.37Å; F197-Y751 HydrophobicContact CD2-CD1 4.08Å; F197-Y751 HydrophobicContact CD2-CE1 4.18Å; F197-Y751 HydrophobicContact CE1-CD1 4.36Å; F197-Y751 AromaticContact CE1-CE1 3.8Å; F197-Y751 HydrophobicContact CE1-CE1 3.8Å; F197-Y751 AromaticContact CE2-CD1 3.93Å; F197-Y751 HydrophobicContact CE2-CD1 3.93Å; F197-Y751 AromaticContact CE2-CE1 3.57Å; F197-Y751 HydrophobicContact CE2-CE1 3.57Å; F197-Y751 HydrophobicContact CG-CD1 4.37Å; F197-Y751 HydrophobicContact CZ-CD1 4.09Å; F197-Y751 AromaticContact CZ-CE1 3.38Å; F197-Y751 HydrophobicContact CZ-CE1 3.38Å; W391-Y751 AromaticContact CE3-CD1 3.52Å; W391-Y751 HydrophobicContact CE3-CD1 3.52Å; W391-Y751 HydrophobicContact CE3-CE1 4.38Å; W391-Y751 AromaticContact CE3-CG 3.79Å; W391-Y751 HydrophobicContact CE3-CG 3.79Å; W391-Y751 HydrophobicContact CH2-CD1 4.21Å; W391-Y751 HydrophobicContact CH2-CG 4.18Å; W391-Y751 AromaticContact CZ3-CD1 3.24Å; W391-Y751 HydrophobicContact CZ3-CD1 3.24Å; W391-Y751 HydrophobicContact CZ3-CD2 4.28Å; W391-Y751 AromaticContact CZ3-CE1 3.73Å; W391-Y751 HydrophobicContact CZ3-CE1 3.73Å; W391-Y751 AromaticContact CZ3-CG 3.56Å; W391-Y751 HydrophobicContact CZ3-CG 3.56Å; G393-Y751 WeakPolarHBondContact CA-O 3.49Å; G393-Y751 PolarHBondContact N-O 3.11Å; Y394-Y751 PolarHBondContact N-O 3.28Å; T460-Y751 HydrophobicContact CG2-CD1 3.39Å; T460-Y751 HydrophobicContact CG2-CE1 3.35Å; T460-Y751 HydrophobicContact CG2-CG 4.19Å; T460-Y751 PolarHBondContact O-OH 2.63Å; T460-Y751 WeakPolarHBondContact OG1-CE1 3.32Å; G749-Y751 PolarHBondContact O-N 3.14Å; G749-Y751 VanDerWaalsContact O-N 3.15Å; Y751-D936 WeakPolarHBondContact CA-OD2 3.46Å; Y751-D936 WeakPolarHBondContact CB-OD2 3.48Å; Y751-D936 PolarHBondContact N-OD2 3.03Å; Y751-F938 HydrophobicContact CD2-CB 3.73Å; Y751-F938 HydrophobicContact CE2-CB 3.93Å; Y751-V940 HydrophobicContact CE2-CG2 3.58Å; Y751-V940 WeakPolarHBondContact OH-CG2 3.44Å
752	I	98.3	Very high	94.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.			trans	-85.4	137.9	-167.5	-57	-56	0	0	0	112.4	Y390 W391 Q746 G749 L754 R930 D936 F938	Y390-I752 WeakPolarHBondContact O-CA 3.23Å; Y390-I752 WeakPolarHBondContact O-CD1 3.4Å; W391-I752 HydrophobicContact CD2-CD1 4.46Å; W391-I752 HydrophobicContact CG-CD1 4.07Å; Q746-I752 HydrophobicContact CG-CG1 4.29Å; Q746-I752 HydrophobicContact CG-CG2 3.95Å; G749-I752 PolarHBondContact N-O 2.98Å; G749-I752 PolarHBondContact O-N 3.28Å; G749-I752 VanDerWaalsContact O-O 3.1Å; I752-L754 HydrophobicContact CG2-CB 4.09Å; I752-R930 PolarHBondContact O-NH1 3.26Å; I752-D936 HydrophobicContact CB-CB 4.14Å; I752-D936 HydrophobicContact CG1-CB 3.89Å; I752-D936 PolarHBondContact N-OD2 3.31Å; I752-F938 HydrophobicContact CD1-CD2 4.13Å; I752-F938 HydrophobicContact CD1-CE2 3.7Å; I752-F938 HydrophobicContact CG1-CD2 3.83Å; I752-F938 HydrophobicContact CG1-CE2 3.57Å
753	F	98.2	Very high	94.5	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.			trans	-113.1	116.7	160.1	168.9	-140.3	0	0	0	109	Y390 Y738 P755 E819 V871 S872 Y875 M927	Y390-F753 PolarHBondContact O-N 2.85Å; Y738-F753 HydrophobicContact CD2-CE2 4.21Å; Y738-F753 AromaticContact CD2-CZ 3.79Å; Y738-F753 HydrophobicContact CD2-CZ 3.79Å; Y738-F753 HydrophobicContact CE2-CZ 4.11Å; Y738-F753 HydrophobicContact CG-CE2 4.27Å; Y738-F753 HydrophobicContact CG-CZ 4.16Å; F753-P755 HydrophobicContact CE2-CG 3.83Å; F753-P755 HydrophobicContact CZ-CG 3.84Å; F753-E819 WeakPolarHBondContact CD2-OE1 3.41Å; F753-E819 WeakPolarHBondContact CD2-OE2 3.02Å; F753-E819 WeakPolarHBondContact CE2-OE2 3.49Å; F753-V871 HydrophobicContact CE1-CG1 3.8Å; F753-V871 HydrophobicContact CZ-CG1 3.81Å; F753-S872 WeakPolarHBondContact O-CB 3.42Å; F753-S872 PolarHBondContact O-OG 2.76Å; F753-Y875 HydrophobicContact CD1-CD1 4.46Å; F753-Y875 HydrophobicContact CD1-CD2 4.18Å; F753-Y875 HydrophobicContact CD1-CE2 4.46Å; F753-Y875 HydrophobicContact CD1-CG 4.16Å; F753-Y875 HydrophobicContact CE1-CD1 4.36Å; F753-Y875 AromaticContact CE1-CD2 3.66Å; F753-Y875 HydrophobicContact CE1-CD2 3.66Å; F753-Y875 HydrophobicContact CE1-CE1 4.3Å; F753-Y875 AromaticContact CE1-CE2 3.56Å; F753-Y875 HydrophobicContact CE1-CE2 3.56Å; F753-Y875 HydrophobicContact CE1-CG 4.05Å; F753-Y875 AromaticContact CE1-CZ 3.89Å; F753-Y875 HydrophobicContact CZ-CE2 4.34Å; F753-M927 HydrophobicContact CD1-CE 3.63Å; F753-M927 HydrophobicContact CD2-CE 3.71Å; F753-M927 HydrophobicContact CE1-CE 3.58Å; F753-M927 HydrophobicContact CE2-CE 3.65Å; F753-M927 HydrophobicContact CG-CE 3.69Å; F753-M927 HydrophobicContact CZ-CE 3.58Å
754	L	97.6	Very high	94.6	Very high	7 Å²	7	53 Å²	53	4%	0.037	27%	0.272	C	S	.	.			trans	-143	108.9	175	-175.3	68.1	0	0	0	109.8	H388 E741 Q746 S748 I752 E869	H388-L754 HydrophobicContact CB-CD2 4.12Å; E741-L754 HydrophobicContact CB-CB 4.38Å; E741-L754 HydrophobicContact CB-CD2 3.98Å; E741-L754 HydrophobicContact CB-CG 4.18Å; E741-L754 WeakPolarHBondContact CB-O 3.3Å; E741-L754 HydrophobicContact CG-CD2 4.2Å; E741-L754 PolarHBondContact N-O 2.87Å; Q746-L754 HydrophobicContact CB-CD2 4.21Å; Q746-L754 VanDerWaalsContact O-CD2 3.22Å; Q746-L754 WeakPolarHBondContact O-CD2 3.2Å; S748-L754 WeakPolarHBondContact OG-CA 3.31Å; S748-L754 PolarHBondContact OG-N 3.05Å; S748-L754 PolarHBondContact OG-O 3.43Å; I752-L754 HydrophobicContact CG2-CB 4.09Å; L754-E869 HydrophobicContact CD1-CG 4.21Å; L754-E869 WeakPolarHBondContact CD1-OE2 3.44Å
755	P	96.9	Very high	95	Very high	21 Å²	21	47.6 Å²	47.6	14%	0.136	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-55.3	140.5	170.9	-26.7	35.3	0	0	0	112.2	Y738 L739 F753 N757 V871 S872	Y738-P755 HydrophobicContact CD1-CB 3.89Å; Y738-P755 HydrophobicContact CD1-CG 3.85Å; Y738-P755 HydrophobicContact CE1-CB 4.48Å; Y738-P755 HydrophobicContact CE1-CG 4.19Å; Y738-P755 HydrophobicContact CG-CG 4.3Å; L739-P755 CarbonylContact O-C 3.43Å; F753-P755 HydrophobicContact CE2-CG 3.83Å; F753-P755 HydrophobicContact CZ-CG 3.84Å; P755-N757 PolarHBondContact O-N 2.65Å; P755-V871 HydrophobicContact CG-CB 4.03Å; P755-V871 HydrophobicContact CG-CG1 3.89Å; P755-S872 WeakPolarHBondContact CD-OG 3.29Å
756	K	95.3	Very high	95.1	Very high	61 Å²	61	51.6 Å²	51.6	27%	0.265	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-60.2	129.6	179.5	-174.4	171	-174.4	166.1	0	110.6	L739 T759	L739-K756 HydrophobicContact CB-CB 4.03Å; L739-K756 HydrophobicContact CB-CD 4.32Å; L739-K756 VanDerWaalsContact O-CB 3.31Å; L739-K756 WeakPolarHBondContact O-CB 3.05Å; L739-K756 PolarHBondContact O-N 3.39Å; K756-T759 HydrophobicContact CB-CG2 3.95Å; K756-T759 HydrophobicContact CD-CG2 4.1Å; K756-T759 HydrophobicContact CG-CG2 3.91Å; K756-T759 WeakPolarHBondContact O-CB 3.4Å; K756-T759 PolarHBondContact O-N 3.35Å; K756-T759 VanDerWaalsContact O-N 3.15Å; K756-T759 PolarHBondContact O-OG1 3.47Å
757	N	89.9	Confident	95.1	Very high	146 Å²	146	51 Å²	51	78%	0.781	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	141.3	-175	-171.6	16.8	0	0	0	111.9	E741 P755 T759	E741-N757 PolarHBondContact OE2-N 3.03Å; E741-N757 VanDerWaalsContact OE2-N 3.16Å; P755-N757 PolarHBondContact O-N 2.65Å; N757-T759 PolarHBondContact O-N 2.91Å
758	G	86.1	Confident	94.9	Very high	72 Å²	72	56.9 Å²	56.9	74%	0.742	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	5	-178.8	0	0	0	0	0	114.9
759	T	88.9	Confident	94.8	Very high	48 Å²	48	58.7 Å²	58.7	29%	0.294	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-102.4	148.6	174.7	74.3	0	0	0	0	111.2	L739 K756 N757	L739-T759 HydrophobicContact CD1-CG2 4.28Å; K756-T759 HydrophobicContact CB-CG2 3.95Å; K756-T759 HydrophobicContact CD-CG2 4.1Å; K756-T759 HydrophobicContact CG-CG2 3.91Å; K756-T759 WeakPolarHBondContact O-CB 3.4Å; K756-T759 PolarHBondContact O-N 3.35Å; K756-T759 VanDerWaalsContact O-N 3.15Å; K756-T759 PolarHBondContact O-OG1 3.47Å; N757-T759 PolarHBondContact O-N 2.91Å
760	F	91.3	Very high	94.6	Very high	175 Å²	175	62.1 Å²	62.1	77%	0.768	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-97	163.3	168.7	-60.3	-80.2	0	0	0	109.5	Q762	F760-Q762 PolarHBondContact O-N 2.94Å; F760-Q762 PolarHBondContact O-NE2 3.48Å
761	I	96.8	Very high	94.5	Very high	35 Å²	35	64.6 Å²	64.6	18%	0.179	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-55.5	131.6	168.2	-163.3	175.6	0	0	0	109.8	L736 Y737 Y738 V821 R823	L736-I761 HydrophobicContact CB-CD1 3.51Å; L736-I761 HydrophobicContact CB-CG1 3.82Å; L736-I761 HydrophobicContact CD1-CD1 4.33Å; L736-I761 HydrophobicContact CD2-CD1 3.95Å; L736-I761 HydrophobicContact CD2-CG1 4.25Å; L736-I761 HydrophobicContact CD2-CG2 4.18Å; L736-I761 HydrophobicContact CG-CD1 4.13Å; Y737-I761 WeakPolarHBondContact O-CG1 3.39Å; Y738-I761 HydrophobicContact CD1-CB 4.1Å; Y738-I761 HydrophobicContact CD1-CG1 4.1Å; Y738-I761 HydrophobicContact CD2-CD1 4.19Å; Y738-I761 HydrophobicContact CD2-CG1 4.22Å; Y738-I761 HydrophobicContact CE1-CB 3.66Å; Y738-I761 HydrophobicContact CE1-CD1 4.16Å; Y738-I761 HydrophobicContact CE1-CG1 3.88Å; Y738-I761 HydrophobicContact CE2-CD1 3.56Å; Y738-I761 HydrophobicContact CE2-CG1 3.98Å; Y738-I761 HydrophobicContact CG-CG1 4.29Å; I761-V821 HydrophobicContact CD1-CG2 3.78Å; I761-R823 VanDerWaalsContact CD1-NH2 3.31Å
762	Q	97	Very high	94.4	Very high	62 Å²	62	65.3 Å²	65.3	29%	0.29	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	135.3	-175.4	-58.5	-61.8	-60.5	0	0	110.1	L736 Y737 L739 F760	L736-Q762 WeakPolarHBondContact CA-O 2.9Å; L736-Q762 WeakPolarHBondContact CB-O 3.35Å; Y737-Q762 HydrophobicContact CD1-CB 3.92Å; Y737-Q762 HydrophobicContact CD2-CB 3.96Å; Y737-Q762 HydrophobicContact CD2-CG 4.12Å; Y737-Q762 HydrophobicContact CE1-CB 3.53Å; Y737-Q762 HydrophobicContact CE1-CG 4.44Å; Y737-Q762 HydrophobicContact CE2-CB 3.58Å; Y737-Q762 HydrophobicContact CE2-CG 3.59Å; Y737-Q762 HydrophobicContact CG-CB 4.12Å; Y737-Q762 PolarHBondContact N-O 3.31Å; Y737-Q762 WeakPolarHBondContact O-CB 3.13Å; Y737-Q762 PolarHBondContact O-N 2.98Å; L739-Q762 HydrophobicContact CG-CG 4.3Å; F760-Q762 PolarHBondContact O-N 2.94Å; F760-Q762 PolarHBondContact O-NE2 3.48Å
763	K	95.9	Very high	94.2	Very high	147 Å²	147	70.7 Å²	70.7	64%	0.639	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	141.4	173.5	-66.7	-171.8	175.7	-164.3	0	109.8	L736	L736-K763 HydrophobicContact CD2-CG 3.97Å
764	F	95.4	Very high	94	Very high	21 Å²	21	71.8 Å²	71.8	9%	0.092	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-74.1	157.3	169.5	-71.8	-91.6	0	0	0	111	L735 Y737 Y784 W787 A788 L820	L735-F764 HydrophobicContact CB-CD2 4.14Å; L735-F764 HydrophobicContact CB-CE2 4Å; L735-F764 VanDerWaalsContact O-CD2 3.32Å; L735-F764 WeakPolarHBondContact O-CD2 3.46Å; Y737-F764 HydrophobicContact CD1-CD2 4.33Å; Y737-F764 HydrophobicContact CD1-CE1 4.34Å; Y737-F764 AromaticContact CD1-CE2 3.66Å; Y737-F764 HydrophobicContact CD1-CE2 3.66Å; Y737-F764 AromaticContact CD1-CZ 3.67Å; Y737-F764 HydrophobicContact CD1-CZ 3.67Å; Y737-F764 HydrophobicContact CE1-CE1 4.32Å; Y737-F764 HydrophobicContact CE1-CE2 4.26Å; Y737-F764 HydrophobicContact CE1-CZ 4.1Å; F764-Y784 HydrophobicContact CB-CD1 3.59Å; F764-Y784 HydrophobicContact CB-CG 4.22Å; F764-Y784 HydrophobicContact CD2-CD1 4.47Å; F764-Y784 HydrophobicContact CG-CD1 4.14Å; F764-Y784 HydrophobicContact CG-CG 4.36Å; F764-W787 AromaticContact CE1-CE2 3.82Å; F764-W787 AromaticContact CE1-CH2 3.9Å; F764-W787 HydrophobicContact CE1-CH2 3.9Å; F764-W787 AromaticContact CE1-CZ2 3.44Å; F764-W787 HydrophobicContact CE1-CZ2 3.44Å; F764-W787 VanDerWaalsContact CE1-CZ2 3.44Å; F764-W787 AromaticContact CZ-CH2 3.43Å; F764-W787 HydrophobicContact CZ-CH2 3.43Å; F764-W787 VanDerWaalsContact CZ-CH2 3.43Å; F764-W787 AromaticContact CZ-CZ2 3.51Å; F764-W787 HydrophobicContact CZ-CZ2 3.51Å; F764-W787 HydrophobicContact CZ-CZ3 4.02Å; F764-A788 HydrophobicContact CE1-CB 3.81Å; F764-A788 HydrophobicContact CE2-CB 4.45Å; F764-A788 HydrophobicContact CZ-CB 3.67Å; F764-L820 HydrophobicContact CE2-CD1 3.81Å; F764-L820 HydrophobicContact CZ-CD1 3.83Å
765	P	93.3	Very high	93.7	Very high	95 Å²	95	73.5 Å²	73.5	62%	0.617	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-56.4	164.6	161.7	-21.3	33.8	0	0	0	111.6
766	R	93.2	Very high	93.7	Very high	137 Å²	137	72.6 Å²	72.6	52%	0.517	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-52.8	126.3	175.1	179.1	178.4	68.4	-169.3	10.1	110.2	D711 S712	D711-R766 IonicContact OD1-CZ 2.81Å; D711-R766 IonicContact OD1-NH1 3.72Å; D711-R766 PolarHBondContact OD1-NH1 3.31Å; S712-R766 WeakPolarHBondContact O-CD 3.44Å; S712-R766 WeakPolarHBondContact O-CG 3.15Å
767	P	95.1	Very high	93.7	Very high	7 Å²	7	69.8 Å²	69.8	5%	0.045	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-73.2	152.1	-179.4	29.5	-34.1	0	0	0	111.6	P715 V769 L782 T783 Y784	P715-P767 HydrophobicContact CG-CG 3.79Å; P767-V769 HydrophobicContact CG-CG2 4.47Å; P767-L782 HydrophobicContact CB-CB 4.15Å; P767-L782 HydrophobicContact CG-CB 4.39Å; P767-L782 HydrophobicContact CG-CD2 4.05Å; P767-T783 CarbonylContact C-O 3.6Å; P767-T783 WeakPolarHBondContact CA-O 3.37Å; P767-T783 WeakPolarHBondContact CB-O 3.37Å; P767-Y784 HydrophobicContact CB-CD1 3.84Å; P767-Y784 HydrophobicContact CB-CD2 4.09Å; P767-Y784 HydrophobicContact CB-CE1 4.05Å; P767-Y784 HydrophobicContact CB-CE2 4.26Å; P767-Y784 HydrophobicContact CB-CG 3.9Å; P767-Y784 HydrophobicContact CG-CD1 4.01Å; P767-Y784 HydrophobicContact CG-CE1 3.72Å; P767-Y784 HydrophobicContact CG-CE2 4.34Å; P767-Y784 HydrophobicContact CG-CG 4.49Å
768	M	94.1	Very high	94	Very high	152 Å²	152	65.5 Å²	65.5	75%	0.749	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	134.2	162.4	-69.4	-178.8	61.8	0	0	109	L782 T783	M768-L782 CarbonylContact O-C 3.5Å; M768-L782 WeakPolarHBondContact O-CA 3.49Å; M768-T783 PolarHBondContact N-O 3.49Å; M768-T783 PolarHBondContact O-N 3.04Å
769	V	94.5	Very high	94.6	Very high	37 Å²	37	62.1 Å²	62.1	22%	0.224	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.2	-177.3	-173.3	0	0	0	0	110	F708 P715 P767 V771 F780 H781 L782	F708-V769 HydrophobicContact CD2-CB 4.17Å; F708-V769 HydrophobicContact CD2-CG1 3.96Å; F708-V769 HydrophobicContact CD2-CG2 4.27Å; F708-V769 HydrophobicContact CE2-CB 3.64Å; F708-V769 HydrophobicContact CE2-CG1 3.97Å; F708-V769 HydrophobicContact CE2-CG2 3.69Å; F708-V769 HydrophobicContact CZ-CB 4.37Å; P715-V769 HydrophobicContact CB-CG2 4.31Å; P715-V769 HydrophobicContact CG-CG2 3.65Å; P767-V769 HydrophobicContact CG-CG2 4.47Å; V769-V771 HydrophobicContact CG1-CG2 4.08Å; V769-F780 HydrophobicContact CG1-CD1 4.41Å; V769-H781 VanDerWaalsContact CA-O 3.3Å; V769-H781 WeakPolarHBondContact CA-O 3.37Å; V769-L782 HydrophobicContact CG2-CD2 4.46Å; V769-L782 HydrophobicContact CG2-CG 4.12Å
770	N	94.4	Very high	94.9	Very high	72 Å²	72	60 Å²	60	39%	0.385	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.3	166.3	178.4	49.1	0	0	0	108.9	H781	N770-H781 HydrophobicContact CB-CB 4.21Å; N770-H781 PolarHBondContact N-O 3.23Å; N770-H781 PolarHBondContact O-N 2.98Å
771	V	95.1	Very high	95.2	Very high	57 Å²	57	52.5 Å²	52.5	35%	0.345	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.3	-176.4	-174.7	0	0	0	0	109	V769 E779 F780	V769-V771 HydrophobicContact CG1-CG2 4.08Å; V771-E779 WeakPolarHBondContact CA-O 3.25Å; V771-F780 HydrophobicContact CG1-CD1 4.22Å; V771-F780 HydrophobicContact CG1-CE1 3.97Å; V771-F780 HydrophobicContact CG1-CZ 4.46Å; V771-F780 HydrophobicContact CG2-CD1 3.79Å; V771-F780 HydrophobicContact CG2-CE1 4Å
772	I	94.7	Very high	95.2	Very high	20 Å²	20	50.9 Å²	50.9	10%	0.103	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	111.2	174.6	-60.3	163.6	0	0	0	106.5	V607 P608 K778 E779 H781	V607-I772 HydrophobicContact CG1-CD1 3.98Å; P608-I772 HydrophobicContact CG-CD1 3.82Å; I772-K778 CarbonylContact O-C 3.56Å; I772-K778 WeakPolarHBondContact O-CA 3.5Å; I772-E779 HydrophobicContact CB-CB 4.31Å; I772-E779 PolarHBondContact N-O 3.11Å; I772-E779 PolarHBondContact O-N 2.03Å; I772-H781 WeakPolarHBondContact CD1-CE1 3.27Å
773	D	94	Very high	95.1	Very high	112 Å²	112	50.9 Å²	50.9	60%	0.599	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.5	178.9	-155.1	-17.2	0	0	0	108.8	K778	D773-K778 HydrophobicContact CB-CG 4.47Å; D773-K778 VanDerWaalsContact OD2-CE 3.25Å; D773-K778 WeakPolarHBondContact OD2-CE 3.24Å; D773-K778 IonicContact OD2-NZ 3.82Å; D773-K778 PolarHBondContact OD2-NZ 3.08Å
774	G	93.9	Very high	95.2	Very high	23 Å²	23	44.7 Å²	44.7	24%	0.237	24%	0.239	C	C	.	.			trans	-145.5	170	-176.5	0	0	0	0	0	112.8	Q605 C776 V777	Q605-G774 VanDerWaalsContact OE1-CA 3.32Å; G774-C776 VanDerWaalsContact C-N 3.32Å; G774-C776 PolarHBondContact O-N 3.4Å; G774-V777 PolarHBondContact N-O 3.37Å
775	P	92.4	Very high	95.2	Very high	43 Å²	43	45 Å²	45	28%	0.279	24%	0.244	S	C	.	.	S	Bend	trans	-70.7	-26.3	-168.5	29.6	-37.3	0	0	0	113.7	N796	P775-N796 WeakPolarHBondContact O-CB 3.35Å; P775-N796 PolarHBondContact O-ND2 3.32Å
776	C	95.5	Very high	95.2	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.02	25%	0.25	C	C	.	.	S	Bend	trans	-90	-43.6	178	-65.1	0	0	0	0	111.6	W549 Y604 Q605 G774 N796	W549-C776 HydrophobicContact CH2-CB 3.95Å; W549-C776 VanDerWaalsContact CH2-O 3.32Å; W549-C776 WeakPolarHBondContact CH2-O 3.32Å; W549-C776 HydrophobicContact CZ3-CB 3.71Å; Y604-C776 VanDerWaalsContact C-SG 3.58Å; Q605-C776 HydrophobicContact CB-CB 3.75Å; G774-C776 VanDerWaalsContact C-N 3.32Å; G774-C776 PolarHBondContact O-N 3.4Å; C776-N796 PolarHBondContact O-N 2.89Å
777	V	96.7	Very high	95.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	141.4	-172.1	64.8	0	0	0	0	111.4	Q605 V607 V631 G774 E779 R793 Y795	Q605-V777 PolarHBondContact NE2-O 3.45Å; Q605-V777 PolarHBondContact OE1-O 2.62Å; V607-V777 HydrophobicContact CG2-CG1 4.3Å; V631-V777 HydrophobicContact CG1-CG1 4.27Å; G774-V777 PolarHBondContact N-O 3.37Å; V777-E779 HydrophobicContact CG1-CG 4.11Å; V777-E779 HydrophobicContact CG2-CG 3.98Å; V777-R793 HydrophobicContact CG2-CB 3.8Å; V777-R793 HydrophobicContact CG2-CG 4.36Å; V777-Y795 HydrophobicContact CB-CD1 3.86Å; V777-Y795 HydrophobicContact CB-CE1 4.22Å; V777-Y795 HydrophobicContact CG2-CD1 3.75Å; V777-Y795 HydrophobicContact CG2-CE1 3.94Å; V777-Y795 HydrophobicContact CG2-CG 4.19Å
778	K	96.8	Very high	95.5	Very high	57 Å²	57	39.5 Å²	39.5	25%	0.248	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119	166.1	-172.7	171	-171.1	152.1	0	109.6	I772 D773 F780 R793 L794	I772-K778 CarbonylContact O-C 3.56Å; I772-K778 WeakPolarHBondContact O-CA 3.5Å; D773-K778 HydrophobicContact CB-CG 4.47Å; D773-K778 VanDerWaalsContact OD2-CE 3.25Å; D773-K778 WeakPolarHBondContact OD2-CE 3.24Å; D773-K778 IonicContact OD2-NZ 3.82Å; D773-K778 PolarHBondContact OD2-NZ 3.08Å; K778-F780 HydrophobicContact CD-CE2 4.1Å; K778-F780 HydrophobicContact CD-CZ 4.13Å; K778-F780 HydrophobicContact CG-CE2 3.86Å; K778-F780 HydrophobicContact CG-CZ 4.25Å; K778-R793 WeakPolarHBondContact O-CA 3.45Å; K778-L794 PolarHBondContact N-O 3.21Å; K778-L794 PolarHBondContact O-N 3.02Å
779	E	96.7	Very high	95.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.1	-179.5	-52.2	-158.9	170.6	0	0	112.8	V607 V771 I772 V777 H781 V791 V792 R793	V607-E779 VanDerWaalsContact CG1-OE2 3.28Å; V607-E779 WeakPolarHBondContact CG1-OE2 3.33Å; V771-E779 WeakPolarHBondContact CA-O 3.25Å; I772-E779 HydrophobicContact CB-CB 4.31Å; I772-E779 PolarHBondContact N-O 3.11Å; I772-E779 PolarHBondContact O-N 2.03Å; V777-E779 HydrophobicContact CG1-CG 4.11Å; V777-E779 HydrophobicContact CG2-CG 3.98Å; E779-H781 IonicContact OE2-CD2 3.57Å; E779-H781 IonicContact OE2-CE1 3.21Å; E779-H781 IonicContact OE2-NE2 3.87Å; E779-H781 PolarHBondContact OE2-NE2 3.15Å; E779-V791 HydrophobicContact CB-CG1 4.3Å; E779-V792 CarbonylContact C-O 3.56Å; E779-V792 WeakPolarHBondContact CA-O 3.37Å; E779-R793 VanDerWaalsContact CD-NE 3.26Å; E779-R793 HydrophobicContact CG-CG 3.95Å; E779-R793 VanDerWaalsContact OE1-CD 3.3Å; E779-R793 WeakPolarHBondContact OE1-CD 3.28Å; E779-R793 IonicContact OE1-CZ 3.54Å; E779-R793 IonicContact OE1-NE 2.68Å; E779-R793 PolarHBondContact OE1-NE 3.08Å; E779-R793 IonicContact OE1-NH2 3.34Å; E779-R793 IonicContact OE2-CZ 3.81Å; E779-R793 IonicContact OE2-NE 3.47Å; E779-R793 IonicContact OE2-NH2 2.92Å
780	F	96.8	Very high	95.8	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.013	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	115.7	169.8	-60	-99.2	0	0	0	108.1	A706 F708 L716 V769 V771 K778 L782 V791 V792	A706-F780 HydrophobicContact CB-CD2 4.3Å; A706-F780 HydrophobicContact CB-CE2 3.29Å; A706-F780 HydrophobicContact CB-CZ 3.5Å; F708-F780 HydrophobicContact CB-CE1 4.24Å; L716-F780 HydrophobicContact CD1-CB 4.4Å; L716-F780 HydrophobicContact CD1-CD1 3.72Å; L716-F780 HydrophobicContact CD1-CD2 3.99Å; L716-F780 HydrophobicContact CD1-CE1 3.87Å; L716-F780 HydrophobicContact CD1-CE2 4.15Å; L716-F780 HydrophobicContact CD1-CG 3.77Å; L716-F780 HydrophobicContact CD1-CZ 4.07Å; L716-F780 HydrophobicContact CD2-CB 4.18Å; L716-F780 HydrophobicContact CD2-CG 4.35Å; V769-F780 HydrophobicContact CG1-CD1 4.41Å; V771-F780 HydrophobicContact CG1-CD1 4.22Å; V771-F780 HydrophobicContact CG1-CE1 3.97Å; V771-F780 HydrophobicContact CG1-CZ 4.46Å; V771-F780 HydrophobicContact CG2-CD1 3.79Å; V771-F780 HydrophobicContact CG2-CE1 4Å; K778-F780 HydrophobicContact CD-CE2 4.1Å; K778-F780 HydrophobicContact CD-CZ 4.13Å; K778-F780 HydrophobicContact CG-CE2 3.86Å; K778-F780 HydrophobicContact CG-CZ 4.25Å; F780-L782 HydrophobicContact CB-CD1 3.85Å; F780-L782 WeakPolarHBondContact O-CD1 3.29Å; F780-V791 CarbonylContact O-C 3.49Å; F780-V791 VanDerWaalsContact O-CA 3.31Å; F780-V791 WeakPolarHBondContact O-CA 3.47Å; F780-V792 HydrophobicContact CB-CB 4.47Å; F780-V792 PolarHBondContact N-O 3.27Å; F780-V792 PolarHBondContact O-N 2.68Å
781	H	96.7	Very high	96	Very high	18 Å²	18	27.6 Å²	27.6	8%	0.083	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	107	176.8	-60.4	-179.4	0	0	0	108.5	V769 N770 I772 E779	V769-H781 VanDerWaalsContact CA-O 3.3Å; V769-H781 WeakPolarHBondContact CA-O 3.37Å; N770-H781 HydrophobicContact CB-CB 4.21Å; N770-H781 PolarHBondContact N-O 3.23Å; N770-H781 PolarHBondContact O-N 2.98Å; I772-H781 WeakPolarHBondContact CD1-CE1 3.27Å; E779-H781 IonicContact OE2-CD2 3.57Å; E779-H781 IonicContact OE2-CE1 3.21Å; E779-H781 IonicContact OE2-NE2 3.87Å; E779-H781 PolarHBondContact OE2-NE2 3.15Å
782	L	96.4	Very high	96.1	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.4	-179.1	-63.4	86.1	0	0	0	109.8	P715 L716 P767 M768 V769 F780 Y784 S789 L790 V792	P715-L782 HydrophobicContact CG-CD2 4.48Å; L716-L782 HydrophobicContact CB-CD2 4.11Å; L716-L782 HydrophobicContact CD2-CD1 4.01Å; P767-L782 HydrophobicContact CB-CB 4.15Å; P767-L782 HydrophobicContact CG-CB 4.39Å; P767-L782 HydrophobicContact CG-CD2 4.05Å; M768-L782 CarbonylContact O-C 3.5Å; M768-L782 WeakPolarHBondContact O-CA 3.49Å; V769-L782 HydrophobicContact CG2-CD2 4.46Å; V769-L782 HydrophobicContact CG2-CG 4.12Å; F780-L782 HydrophobicContact CB-CD1 3.85Å; F780-L782 WeakPolarHBondContact O-CD1 3.29Å; L782-Y784 HydrophobicContact CB-CD2 4.4Å; L782-Y784 HydrophobicContact CB-CE2 3.95Å; L782-Y784 HydrophobicContact CD2-CE2 4.33Å; L782-S789 CarbonylContact O-C 3.57Å; L782-S789 WeakPolarHBondContact O-CA 3.4Å; L782-S789 WeakPolarHBondContact O-CB 3.15Å; L782-L790 HydrophobicContact CB-CB 4.3Å; L782-L790 HydrophobicContact CD1-CB 4.47Å; L782-L790 PolarHBondContact N-O 3.43Å; L782-L790 PolarHBondContact O-N 2.85Å; L782-V792 HydrophobicContact CD1-CG2 4.23Å
783	T	96.7	Very high	96.2	Very high	61 Å²	61	24.1 Å²	24.1	37%	0.374	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	104.6	175.4	-57.3	0	0	0	0	109.6	P767 M768	P767-T783 CarbonylContact C-O 3.6Å; P767-T783 WeakPolarHBondContact CA-O 3.37Å; P767-T783 WeakPolarHBondContact CB-O 3.37Å; M768-T783 PolarHBondContact N-O 3.49Å; M768-T783 PolarHBondContact O-N 3.04Å
784	Y	96.2	Very high	96.4	Very high	18 Å²	18	20 Å²	20	7%	0.071	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-33.4	-180	-73.8	-91	0	0	0	112.5	L735 F764 P767 L782 A788 L790	L735-Y784 HydrophobicContact CB-CD2 4.21Å; L735-Y784 HydrophobicContact CB-CE2 4.21Å; L735-Y784 HydrophobicContact CB-CG 4.44Å; L735-Y784 HydrophobicContact CD1-CD2 3.84Å; L735-Y784 HydrophobicContact CD1-CE2 4.2Å; L735-Y784 HydrophobicContact CG-CD2 4.22Å; L735-Y784 HydrophobicContact CG-CE2 4.15Å; F764-Y784 HydrophobicContact CB-CD1 3.59Å; F764-Y784 HydrophobicContact CB-CG 4.22Å; F764-Y784 HydrophobicContact CD2-CD1 4.47Å; F764-Y784 HydrophobicContact CG-CD1 4.14Å; F764-Y784 HydrophobicContact CG-CG 4.36Å; P767-Y784 HydrophobicContact CB-CD1 3.84Å; P767-Y784 HydrophobicContact CB-CD2 4.09Å; P767-Y784 HydrophobicContact CB-CE1 4.05Å; P767-Y784 HydrophobicContact CB-CE2 4.26Å; P767-Y784 HydrophobicContact CB-CG 3.9Å; P767-Y784 HydrophobicContact CG-CD1 4.01Å; P767-Y784 HydrophobicContact CG-CE1 3.72Å; P767-Y784 HydrophobicContact CG-CE2 4.34Å; P767-Y784 HydrophobicContact CG-CG 4.49Å; L782-Y784 HydrophobicContact CB-CD2 4.4Å; L782-Y784 HydrophobicContact CB-CE2 3.95Å; L782-Y784 HydrophobicContact CD2-CE2 4.33Å; Y784-A788 WeakPolarHBondContact CB-O 3.46Å; Y784-A788 PolarHBondContact N-O 3.16Å; Y784-L790 HydrophobicContact CE2-CD1 3.94Å; Y784-L790 HydrophobicContact CE2-CG 4.02Å
785	S	96	Very high	96.5	Very high	28 Å²	28	19.1 Å²	19.1	20%	0.196	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	179.2	176.1	67.2	0	0	0	0	110.3	W787 A788	S785-W787 PolarHBondContact O-N 3.34Å; S785-W787 VanDerWaalsContact O-N 3.07Å; S785-W787 PolarHBondContact OG-N 3.24Å; S785-W787 PolarHBondContact OG-NE1 3.12Å; S785-A788 PolarHBondContact N-O 2.79Å; S785-A788 PolarHBondContact O-N 3.1Å; S785-A788 PolarHBondContact OG-N 3.14Å
786	S	94.5	Very high	96.5	Very high	105 Å²	105	20.3 Å²	20.3	73%	0.734	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-12.6	173.6	55.8	0	0	0	0	114.5
787	W	95.8	Very high	96.3	Very high	17 Å²	17	20.4 Å²	20.4	6%	0.064	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	3.7	-176.3	63.7	-86.7	0	0	0	114.6	Y737 F764 S785 G807 P808 I809 P810 L820	Y737-W787 AromaticContact CD1-CH2 3.9Å; Y737-W787 HydrophobicContact CD1-CH2 3.9Å; Y737-W787 HydrophobicContact CD1-CZ2 4.21Å; Y737-W787 HydrophobicContact CE1-CH2 4.35Å; Y737-W787 HydrophobicContact CE1-CZ2 4.21Å; Y737-W787 HydrophobicContact CG-CH2 4.07Å; F764-W787 AromaticContact CE1-CE2 3.82Å; F764-W787 AromaticContact CE1-CH2 3.9Å; F764-W787 HydrophobicContact CE1-CH2 3.9Å; F764-W787 AromaticContact CE1-CZ2 3.44Å; F764-W787 HydrophobicContact CE1-CZ2 3.44Å; F764-W787 VanDerWaalsContact CE1-CZ2 3.44Å; F764-W787 AromaticContact CZ-CH2 3.43Å; F764-W787 HydrophobicContact CZ-CH2 3.43Å; F764-W787 VanDerWaalsContact CZ-CH2 3.43Å; F764-W787 AromaticContact CZ-CZ2 3.51Å; F764-W787 HydrophobicContact CZ-CZ2 3.51Å; F764-W787 HydrophobicContact CZ-CZ3 4.02Å; S785-W787 PolarHBondContact O-N 3.34Å; S785-W787 VanDerWaalsContact O-N 3.07Å; S785-W787 PolarHBondContact OG-N 3.24Å; S785-W787 PolarHBondContact OG-NE1 3.12Å; W787-G807 CarbonylContact C-O 3.54Å; W787-G807 WeakPolarHBondContact CA-O 3.35Å; W787-G807 PolarHBondContact O-N 3.49Å; W787-P808 WeakPolarHBondContact CB-O 3.28Å; W787-I809 HydrophobicContact CE3-CB 4.28Å; W787-I809 HydrophobicContact CE3-CG1 3.92Å; W787-I809 HydrophobicContact CE3-CG2 4.23Å; W787-I809 HydrophobicContact CZ3-CB 4.46Å; W787-I809 HydrophobicContact CZ3-CG1 4.09Å; W787-I809 HydrophobicContact CZ3-CG2 3.99Å; W787-P810 VanDerWaalsContact CD2-CD 3.44Å; W787-P810 HydrophobicContact CD2-CG 4.28Å; W787-P810 VanDerWaalsContact CG-CD 3.47Å; W787-P810 HydrophobicContact CG-CG 3.97Å; W787-L820 HydrophobicContact CH2-CD1 4.26Å; W787-L820 HydrophobicContact CZ3-CB 4.43Å; W787-L820 HydrophobicContact CZ3-CD1 3.89Å
788	A	97.7	Very high	96	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	119.7	-176.6	0	0	0	0	0	111.5	L735 F764 Y784 S785 L820	L735-A788 HydrophobicContact CD1-CB 3.95Å; F764-A788 HydrophobicContact CE1-CB 3.81Å; F764-A788 HydrophobicContact CE2-CB 4.45Å; F764-A788 HydrophobicContact CZ-CB 3.67Å; Y784-A788 WeakPolarHBondContact CB-O 3.46Å; Y784-A788 PolarHBondContact N-O 3.16Å; S785-A788 PolarHBondContact N-O 2.79Å; S785-A788 PolarHBondContact O-N 3.1Å; S785-A788 PolarHBondContact OG-N 3.14Å; A788-L820 HydrophobicContact CB-CD1 4.49Å
789	S	97.8	Very high	95.9	Very high	5 Å²	5	20.2 Å²	20.2	4%	0.035	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	155.7	177	64.8	0	0	0	0	112.6	R612 L782 T805	R612-S789 WeakPolarHBondContact CG-OG 3.38Å; L782-S789 CarbonylContact O-C 3.57Å; L782-S789 WeakPolarHBondContact O-CA 3.4Å; L782-S789 WeakPolarHBondContact O-CB 3.15Å; S789-T805 PolarHBondContact N-O 3.39Å; S789-T805 VanDerWaalsContact N-O 3.08Å; S789-T805 PolarHBondContact O-N 2.93Å
790	L	97.8	Very high	95.9	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.5	171.9	-60.7	-178.5	0	0	0	111	I733 L735 L782 Y784 V802 E803 W804 I822	I733-L790 HydrophobicContact CG2-CD1 3.87Å; L735-L790 HydrophobicContact CD1-CD2 3.83Å; L735-L790 HydrophobicContact CD1-CG 3.85Å; L735-L790 HydrophobicContact CD2-CD2 3.77Å; L735-L790 HydrophobicContact CD2-CG 4.36Å; L735-L790 HydrophobicContact CG-CD1 4.02Å; L735-L790 HydrophobicContact CG-CD2 3.75Å; L735-L790 HydrophobicContact CG-CG 3.79Å; L782-L790 HydrophobicContact CB-CB 4.3Å; L782-L790 HydrophobicContact CD1-CB 4.47Å; L782-L790 PolarHBondContact N-O 3.43Å; L782-L790 PolarHBondContact O-N 2.85Å; Y784-L790 HydrophobicContact CE2-CD1 3.94Å; Y784-L790 HydrophobicContact CE2-CG 4.02Å; L790-V802 HydrophobicContact CD2-CG1 4.2Å; L790-E803 CarbonylContact C-O 3.56Å; L790-E803 VanDerWaalsContact CA-O 3.29Å; L790-E803 WeakPolarHBondContact CA-O 3.44Å; L790-W804 HydrophobicContact CD2-CB 3.68Å; L790-I822 HydrophobicContact CD1-CD1 4.11Å; L790-I822 HydrophobicContact CD2-CD1 3.81Å
791	V	97.7	Very high	96	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.024	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	118.2	158.3	-178.8	0	0	0	0	108.4	T610 E779 F780 R793 V802 E803	T610-V791 HydrophobicContact CG2-CG2 3.62Å; E779-V791 HydrophobicContact CB-CG1 4.3Å; F780-V791 CarbonylContact O-C 3.49Å; F780-V791 VanDerWaalsContact O-CA 3.31Å; F780-V791 WeakPolarHBondContact O-CA 3.47Å; V791-R793 HydrophobicContact CG1-CG 3.92Å; V791-R793 VanDerWaalsContact CG1-CZ 3.4Å; V791-R793 VanDerWaalsContact CG1-NH2 3.25Å; V791-V802 WeakPolarHBondContact O-CA 3.38Å; V791-E803 HydrophobicContact CB-CB 4.23Å; V791-E803 PolarHBondContact N-O 2.81Å; V791-E803 PolarHBondContact O-N 3.1Å
792	V	97.9	Very high	96	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.9	174.4	-176.1	0	0	0	0	108.7	L716 I718 I733 E779 F780 L782 L800 E801 V802	L716-V792 HydrophobicContact CD2-CB 3.59Å; L716-V792 HydrophobicContact CD2-CG1 3.89Å; L716-V792 HydrophobicContact CD2-CG2 3.45Å; L716-V792 VanDerWaalsContact CD2-CG2 3.45Å; I718-V792 HydrophobicContact CD1-CG1 4.25Å; I733-V792 HydrophobicContact CD1-CG1 4.19Å; I733-V792 HydrophobicContact CD1-CG2 4.12Å; E779-V792 CarbonylContact C-O 3.56Å; E779-V792 WeakPolarHBondContact CA-O 3.37Å; F780-V792 HydrophobicContact CB-CB 4.47Å; F780-V792 PolarHBondContact N-O 3.27Å; F780-V792 PolarHBondContact O-N 2.68Å; L782-V792 HydrophobicContact CD1-CG2 4.23Å; V792-L800 HydrophobicContact CG1-CD1 3.83Å; V792-E801 WeakPolarHBondContact CA-O 3.4Å; V792-V802 HydrophobicContact CG1-CG2 4.23Å; V792-V802 HydrophobicContact CG2-CG1 4.33Å; V792-V802 HydrophobicContact CG2-CG2 4.09Å
793	R	97.2	Very high	96.1	Very high	3 Å²	3	20.1 Å²	20.1	1%	0.011	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.7	-177.4	-55.1	-169.8	171.3	76.7	12.9	110.3	R551 V777 K778 E779 V791 Y795 L800 E801 E803	R551-R793 VanDerWaalsContact CZ-NH2 3.27Å; V777-R793 HydrophobicContact CG2-CB 3.8Å; V777-R793 HydrophobicContact CG2-CG 4.36Å; K778-R793 WeakPolarHBondContact O-CA 3.45Å; E779-R793 VanDerWaalsContact CD-NE 3.26Å; E779-R793 HydrophobicContact CG-CG 3.95Å; E779-R793 VanDerWaalsContact OE1-CD 3.3Å; E779-R793 WeakPolarHBondContact OE1-CD 3.28Å; E779-R793 IonicContact OE1-CZ 3.54Å; E779-R793 IonicContact OE1-NE 2.68Å; E779-R793 PolarHBondContact OE1-NE 3.08Å; E779-R793 IonicContact OE1-NH2 3.34Å; E779-R793 IonicContact OE2-CZ 3.81Å; E779-R793 IonicContact OE2-NE 3.47Å; E779-R793 IonicContact OE2-NH2 2.92Å; V791-R793 HydrophobicContact CG1-CG 3.92Å; V791-R793 VanDerWaalsContact CG1-CZ 3.4Å; V791-R793 VanDerWaalsContact CG1-NH2 3.25Å; R793-Y795 HydrophobicContact CB-CE2 4.07Å; R793-L800 WeakPolarHBondContact O-CA 3.29Å; R793-E801 HydrophobicContact CB-CB 4.28Å; R793-E801 IonicContact CZ-OE1 3.39Å; R793-E801 PolarHBondContact N-O 3.44Å; R793-E801 IonicContact NH1-OE1 3.04Å; R793-E801 PolarHBondContact NH1-OE1 3.35Å; R793-E801 VanDerWaalsContact NH1-OE1 3.09Å; R793-E801 PolarHBondContact O-N 3.07Å; R793-E803 IonicContact CZ-OE2 3.84Å; R793-E803 VanDerWaalsContact NH1-CB 3.35Å; R793-E803 IonicContact NH1-OE2 2.79Å; R793-E803 PolarHBondContact NH1-OE2 3.5Å; R793-E803 IonicContact NH2-OE1 3.03Å; R793-E803 IonicContact NH2-OE2 3.65Å; R793-E803 PolarHBondContact NH2-OE2 2.89Å
794	L	96.9	Very high	96.2	Very high	25 Å²	25	17.2 Å²	17.2	13%	0.131	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	105.8	166.9	178.3	60.8	0	0	0	108	F704 A706 K778	F704-L794 HydrophobicContact CB-CD1 3.73Å; F704-L794 HydrophobicContact CB-CD2 4.39Å; A706-L794 HydrophobicContact CB-CD2 4.47Å; K778-L794 PolarHBondContact N-O 3.21Å; K778-L794 PolarHBondContact O-N 3.02Å
795	Y	96.1	Very high	96.3	Very high	6 Å²	6	16.5 Å²	16.5	2%	0.024	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	155.4	177.5	-64	-83.8	0	0	0	110.7	W549 V631 V777 R793 N797 G798 E799 E801	W549-Y795 HydrophobicContact CB-CD1 4.2Å; W549-Y795 HydrophobicContact CB-CE1 3.77Å; W549-Y795 AromaticContact CD1-CD1 3.72Å; W549-Y795 AromaticContact CD1-CG 3.72Å; W549-Y795 AromaticContact CD2-CD1 3.29Å; W549-Y795 HydrophobicContact CD2-CD1 3.29Å; W549-Y795 AromaticContact CD2-CE1 3.73Å; W549-Y795 HydrophobicContact CD2-CE1 3.73Å; W549-Y795 AromaticContact CD2-CG 3.99Å; W549-Y795 HydrophobicContact CD2-CG 3.99Å; W549-Y795 AromaticContact CE2-CD1 3.45Å; W549-Y795 VanDerWaalsContact CE2-CD1 3.45Å; W549-Y795 AromaticContact CE2-CG 3.74Å; W549-Y795 AromaticContact CE3-CD1 3.76Å; W549-Y795 HydrophobicContact CE3-CD1 3.76Å; W549-Y795 HydrophobicContact CE3-CE1 4.07Å; W549-Y795 AromaticContact CG-CD1 3.48Å; W549-Y795 HydrophobicContact CG-CD1 3.48Å; W549-Y795 VanDerWaalsContact CG-CD1 3.48Å; W549-Y795 AromaticContact CG-CE1 3.58Å; W549-Y795 HydrophobicContact CG-CE1 3.58Å; W549-Y795 AromaticContact CG-CG 3.98Å; W549-Y795 HydrophobicContact CG-CG 3.98Å; W549-Y795 HydrophobicContact CH2-CD1 4.4Å; W549-Y795 HydrophobicContact CZ2-CD1 4.03Å; W549-Y795 HydrophobicContact CZ2-CG 4.32Å; W549-Y795 HydrophobicContact CZ3-CD1 4.29Å; W549-Y795 AromaticContact NE1-CD1 3.69Å; W549-Y795 AromaticContact NE1-CG 3.55Å; V631-Y795 HydrophobicContact CG1-CE1 4.21Å; V777-Y795 HydrophobicContact CB-CD1 3.86Å; V777-Y795 HydrophobicContact CB-CE1 4.22Å; V777-Y795 HydrophobicContact CG2-CD1 3.75Å; V777-Y795 HydrophobicContact CG2-CE1 3.94Å; V777-Y795 HydrophobicContact CG2-CG 4.19Å; R793-Y795 HydrophobicContact CB-CE2 4.07Å; Y795-N797 WeakPolarHBondContact CB-OD1 3.34Å; Y795-N797 PolarHBondContact O-N 3.07Å; Y795-N797 VanDerWaalsContact O-N 3.09Å; Y795-G798 PolarHBondContact O-N 2.89Å; Y795-E799 HydrophobicContact CD2-CB 3.72Å; Y795-E799 WeakPolarHBondContact CD2-O 3.44Å; Y795-E799 HydrophobicContact CG-CB 4.33Å; Y795-E799 PolarHBondContact N-O 2.97Å; Y795-E801 HydrophobicContact CE2-CB 3.95Å; Y795-E801 PolarHBondContact OH-OE1 2.88Å; Y795-E801 PolarHBondContact OH-OE2 3.13Å; Y795-E801 VanDerWaalsContact OH-OE2 3.12Å
796	N	92.6	Very high	96.4	Very high	67 Å²	67	15.2 Å²	15.2	36%	0.358	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.3	-176	71.7	14	0	0	0	114.6	W549 P775 C776 G798	W549-N796 WeakPolarHBondContact CH2-OD1 3.45Å; W549-N796 WeakPolarHBondContact CZ2-OD1 3.12Å; P775-N796 WeakPolarHBondContact O-CB 3.35Å; P775-N796 PolarHBondContact O-ND2 3.32Å; C776-N796 PolarHBondContact O-N 2.89Å; N796-G798 VanDerWaalsContact C-N 3.3Å
797	N	90.9	Very high	96.4	Very high	5 Å²	5	10.2 Å²	10.2	3%	0.027	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	11.2	171.9	73.2	-25.9	0	0	0	113.3	S547 W549 S698 Y795 E799	S547-N797 PolarHBondContact OG-ND2 3.44Å; W549-N797 PolarHBondContact NE1-OD1 3.14Å; S698-N797 PolarHBondContact N-O 3.2Å; S698-N797 PolarHBondContact OG-O 2.8Å; Y795-N797 WeakPolarHBondContact CB-OD1 3.34Å; Y795-N797 PolarHBondContact O-N 3.07Å; Y795-N797 VanDerWaalsContact O-N 3.09Å; N797-E799 PolarHBondContact ND2-OE1 3.47Å; N797-E799 PolarHBondContact O-N 2.99Å; N797-E799 PolarHBondContact OD1-N 2.98Å
798	G	91.5	Very high	96.5	Very high	13 Å²	13	10.5 Å²	10.5	13%	0.134	6%	0.059	C	C	.	.	S	Bend	trans	83.3	2.2	177.6	0	0	0	0	0	115.2	S698 F704 Y795 N796 L800	S698-G798 PolarHBondContact OG-O 3.03Å; F704-G798 WeakPolarHBondContact CD2-O 3.31Å; Y795-G798 PolarHBondContact O-N 2.89Å; N796-G798 VanDerWaalsContact C-N 3.3Å; G798-L800 PolarHBondContact O-N 2.86Å
799	E	94.4	Very high	96.4	Very high	42 Å²	42	10.6 Å²	10.6	20%	0.196	6%	0.059	C	C	.	.			trans	-66.2	131.8	176.7	-75.2	179.2	-134.3	0	0	110.5	S698 Y795 N797 K961	S698-E799 PolarHBondContact OG-N 3.28Å; S698-E799 VanDerWaalsContact OG-N 3.1Å; Y795-E799 HydrophobicContact CD2-CB 3.72Å; Y795-E799 WeakPolarHBondContact CD2-O 3.44Å; Y795-E799 HydrophobicContact CG-CB 4.33Å; Y795-E799 PolarHBondContact N-O 2.97Å; N797-E799 PolarHBondContact ND2-OE1 3.47Å; N797-E799 PolarHBondContact O-N 2.99Å; N797-E799 PolarHBondContact OD1-N 2.98Å; E799-K961 IonicContact OE2-NZ 3.88Å; E799-K961 PolarHBondContact OE2-NZ 2.97Å
800	L	96.7	Very high	96.4	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.016	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.2	175.7	-176.3	61.4	0	0	0	110.2	F704 I718 L731 V792 R793 G798 I962	F704-L800 HydrophobicContact CD1-CD2 4.1Å; F704-L800 HydrophobicContact CE1-CD2 4.08Å; I718-L800 HydrophobicContact CD1-CD1 4.47Å; I718-L800 HydrophobicContact CG1-CD2 4.43Å; I718-L800 HydrophobicContact CG2-CD2 4.05Å; L731-L800 HydrophobicContact CD2-CD2 4.43Å; V792-L800 HydrophobicContact CG1-CD1 3.83Å; R793-L800 WeakPolarHBondContact O-CA 3.29Å; G798-L800 PolarHBondContact O-N 2.86Å; L800-I962 HydrophobicContact CB-CB 4.3Å; L800-I962 HydrophobicContact CD2-CB 3.92Å; L800-I962 HydrophobicContact CD2-CD1 3.99Å; L800-I962 HydrophobicContact CD2-CG2 4.06Å; L800-I962 HydrophobicContact CG-CB 4.1Å; L800-I962 HydrophobicContact CG-CD1 4.21Å; L800-I962 PolarHBondContact O-N 3.16Å
801	E	97.7	Very high	96.2	Very high	11 Å²	11	13.2 Å²	13.2	5%	0.051	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.3	178.5	-179	-173.8	109.7	0	0	110	R551 V792 R793 Y795 I959 H960 K961	R551-E801 IonicContact NH1-OE1 3.41Å; V792-E801 WeakPolarHBondContact CA-O 3.4Å; R793-E801 HydrophobicContact CB-CB 4.28Å; R793-E801 IonicContact CZ-OE1 3.39Å; R793-E801 PolarHBondContact N-O 3.44Å; R793-E801 IonicContact NH1-OE1 3.04Å; R793-E801 PolarHBondContact NH1-OE1 3.35Å; R793-E801 VanDerWaalsContact NH1-OE1 3.09Å; R793-E801 PolarHBondContact O-N 3.07Å; Y795-E801 HydrophobicContact CE2-CB 3.95Å; Y795-E801 PolarHBondContact OH-OE1 2.88Å; Y795-E801 PolarHBondContact OH-OE2 3.13Å; Y795-E801 VanDerWaalsContact OH-OE2 3.12Å; E801-I959 HydrophobicContact CG-CB 4.48Å; E801-H960 CarbonylContact C-O 3.6Å; E801-H960 WeakPolarHBondContact CA-O 3.39Å; E801-K961 HydrophobicContact CB-CD 4.02Å; E801-K961 HydrophobicContact CG-CD 4.22Å; E801-K961 WeakPolarHBondContact OE2-CE 3.42Å; E801-K961 IonicContact OE2-NZ 2.72Å; E801-K961 PolarHBondContact OE2-NZ 3.48Å
802	V	98.5	Very high	96.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	111.2	172	180	0	0	0	0	108.1	I733 L790 V791 V792 I822 Y824 I959 H960 I962	I733-V802 HydrophobicContact CD1-CG2 3.86Å; I733-V802 HydrophobicContact CG2-CG1 4.43Å; L790-V802 HydrophobicContact CD2-CG1 4.2Å; V791-V802 WeakPolarHBondContact O-CA 3.38Å; V792-V802 HydrophobicContact CG1-CG2 4.23Å; V792-V802 HydrophobicContact CG2-CG1 4.33Å; V792-V802 HydrophobicContact CG2-CG2 4.09Å; V802-I822 HydrophobicContact CG1-CD1 3.77Å; V802-Y824 HydrophobicContact CG2-CE1 4.19Å; V802-I959 CarbonylContact O-C 3.5Å; V802-I959 WeakPolarHBondContact O-CA 3.47Å; V802-H960 PolarHBondContact N-O 3.46Å; V802-H960 PolarHBondContact O-N 3.09Å; V802-I962 HydrophobicContact CG2-CD1 3.58Å; V802-I962 HydrophobicContact CG2-CG1 4.48Å
803	E	98.2	Very high	95.8	Very high	6 Å²	6	18.8 Å²	18.8	3%	0.028	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	135.8	169.8	-176.2	-169.4	112.3	0	0	109	R551 L790 V791 R793 R957 G958 I959	R551-E803 IonicContact CZ-OE2 3.25Å; R551-E803 IonicContact NH1-OE2 2.67Å; R551-E803 PolarHBondContact NH1-OE2 2.85Å; R551-E803 IonicContact NH2-OE2 3.15Å; R551-E803 PolarHBondContact NH2-OE2 3.02Å; R551-E803 VanDerWaalsContact NH2-OE2 3.08Å; L790-E803 CarbonylContact C-O 3.56Å; L790-E803 VanDerWaalsContact CA-O 3.29Å; L790-E803 WeakPolarHBondContact CA-O 3.44Å; V791-E803 HydrophobicContact CB-CB 4.23Å; V791-E803 PolarHBondContact N-O 2.81Å; V791-E803 PolarHBondContact O-N 3.1Å; R793-E803 IonicContact CZ-OE2 3.84Å; R793-E803 VanDerWaalsContact NH1-CB 3.35Å; R793-E803 IonicContact NH1-OE2 2.79Å; R793-E803 PolarHBondContact NH1-OE2 3.5Å; R793-E803 IonicContact NH2-OE1 3.03Å; R793-E803 IonicContact NH2-OE2 3.65Å; R793-E803 PolarHBondContact NH2-OE2 2.89Å; E803-R957 IonicContact OE1-CZ 3.27Å; E803-R957 IonicContact OE1-NE 3.97Å; E803-R957 IonicContact OE1-NH2 3.54Å; E803-R957 PolarHBondContact OE1-NH2 2.82Å; E803-R957 IonicContact OE2-NH2 3.98Å; E803-G958 CarbonylContact C-O 3.54Å; E803-G958 WeakPolarHBondContact CA-O 3.27Å; E803-I959 HydrophobicContact CB-CG2 4.11Å; E803-I959 HydrophobicContact CG-CG2 4.1Å
804	W	98.3	Very high	95.6	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.1	176.1	50.4	-96.2	0	0	0	109.6	L790 A806 L928 V956 R957 G958 H960	L790-W804 HydrophobicContact CD2-CB 3.68Å; W804-A806 HydrophobicContact CE3-CB 4.19Å; W804-A806 HydrophobicContact CZ3-CB 4.35Å; W804-L928 HydrophobicContact CB-CD1 3.74Å; W804-L928 HydrophobicContact CD2-CB 4.32Å; W804-L928 HydrophobicContact CD2-CD1 3.87Å; W804-L928 HydrophobicContact CD2-CD2 3.88Å; W804-L928 HydrophobicContact CD2-CG 4.26Å; W804-L928 HydrophobicContact CE3-CB 4.23Å; W804-L928 HydrophobicContact CE3-CD1 4.24Å; W804-L928 HydrophobicContact CG-CD1 3.63Å; W804-L928 HydrophobicContact CG-CD2 3.97Å; W804-L928 HydrophobicContact CG-CG 4.37Å; W804-L928 HydrophobicContact CZ2-CD2 4.18Å; W804-L928 HydrophobicContact CZ3-CB 4.38Å; W804-V956 HydrophobicContact CH2-CG1 3.88Å; W804-V956 HydrophobicContact CZ3-CB 4.11Å; W804-V956 HydrophobicContact CZ3-CG1 3.82Å; W804-R957 VanDerWaalsContact O-CA 3.24Å; W804-R957 WeakPolarHBondContact O-CA 3.34Å; W804-G958 PolarHBondContact N-O 2.86Å; W804-G958 PolarHBondContact O-N 2.85Å; W804-G958 VanDerWaalsContact O-N 3.08Å; W804-H960 AromaticContact CD1-CE1 3.99Å; W804-H960 AromaticContact CD1-NE2 3.93Å; W804-H960 AromaticContact NE1-CD2 3.72Å; W804-H960 AromaticContact NE1-CE1 3.79Å; W804-H960 AromaticContact NE1-NE2 3.3Å; W804-H960 PolarHBondContact NE1-NE2 2.94Å
805	T	98.1	Very high	95.5	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.4	170.6	-54.6	0	0	0	0	109	R612 S789 I955 V956 R957	R612-T805 HydrophobicContact CG-CG2 3.5Å; S789-T805 PolarHBondContact N-O 3.39Å; S789-T805 VanDerWaalsContact N-O 3.08Å; S789-T805 PolarHBondContact O-N 2.93Å; T805-I955 HydrophobicContact CG2-CG2 3.74Å; T805-V956 WeakPolarHBondContact CA-O 3.37Å; T805-R957 HydrophobicContact CG2-CG 3.78Å
806	A	97.4	Very high	95.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.3	-171.3	0	0	0	0	0	110.8	W804 L820 H929 I955 V956	W804-A806 HydrophobicContact CE3-CB 4.19Å; W804-A806 HydrophobicContact CZ3-CB 4.35Å; A806-L820 HydrophobicContact CB-CD2 3.37Å; A806-H929 HydrophobicContact CB-CB 3.86Å; A806-I955 CarbonylContact O-C 3.52Å; A806-I955 WeakPolarHBondContact O-CA 3.47Å; A806-V956 PolarHBondContact N-O 2.89Å; A806-V956 PolarHBondContact O-N 3.12Å
807	G	95.9	Very high	95.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.			trans	116.6	170.5	178.2	0	0	0	0	0	112.7	R612 W787 I809	R612-G807 PolarHBondContact NE-O 3.34Å; R612-G807 PolarHBondContact NH2-O 3.28Å; W787-G807 CarbonylContact C-O 3.54Å; W787-G807 WeakPolarHBondContact CA-O 3.35Å; W787-G807 PolarHBondContact O-N 3.49Å; G807-I809 VanDerWaalsContact CA-N 3.31Å
808	P	96.4	Very high	96	Very high	24 Å²	24	26.7 Å²	26.7	16%	0.156	15%	0.154	C	C	.	.	S	Bend	cis	-62.5	117.9	-16.2	26.9	-32.2	0	0	0	108.7	W787 P810 R952 G953	W787-P808 WeakPolarHBondContact CB-O 3.28Å; P808-P810 VanDerWaalsContact O-CD 3.29Å; P808-P810 WeakPolarHBondContact O-CD 3.42Å; P808-R952 HydrophobicContact CB-CB 4.08Å; P808-R952 VanDerWaalsContact CB-O 3.25Å; P808-R952 WeakPolarHBondContact CB-O 3.48Å; P808-R952 HydrophobicContact CG-CB 4.44Å; P808-G953 WeakPolarHBondContact CB-O 3.43Å
809	I	97.3	Very high	96.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-70.1	122.2	-174.8	-62.2	-177.8	0	0	0	106.5	W787 G807 D811 R818 L820 H929 R931	W787-I809 HydrophobicContact CE3-CB 4.28Å; W787-I809 HydrophobicContact CE3-CG1 3.92Å; W787-I809 HydrophobicContact CE3-CG2 4.23Å; W787-I809 HydrophobicContact CZ3-CB 4.46Å; W787-I809 HydrophobicContact CZ3-CG1 4.09Å; W787-I809 HydrophobicContact CZ3-CG2 3.99Å; G807-I809 VanDerWaalsContact CA-N 3.31Å; I809-D811 PolarHBondContact O-N 3.42Å; I809-R818 HydrophobicContact CG2-CB 3.55Å; I809-R818 HydrophobicContact CG2-CG 4.4Å; I809-L820 HydrophobicContact CD1-CB 4.4Å; I809-H929 HydrophobicContact CD1-CB 3.94Å; I809-R931 HydrophobicContact CB-CB 3.86Å; I809-R931 HydrophobicContact CD1-CB 4.49Å; I809-R931 HydrophobicContact CG2-CB 4.02Å; I809-R931 WeakPolarHBondContact O-CD 3.22Å; I809-R931 PolarHBondContact O-NH1 2.79Å
810	P	96.4	Very high	96.5	Very high	37 Å²	37	24.1 Å²	24.1	24%	0.24	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-67	138.4	-176.5	-17.6	28.8	0	0	0	111.2	W787 P808 R818	W787-P810 VanDerWaalsContact CD2-CD 3.44Å; W787-P810 HydrophobicContact CD2-CG 4.28Å; W787-P810 VanDerWaalsContact CG-CD 3.47Å; W787-P810 HydrophobicContact CG-CG 3.97Å; P808-P810 VanDerWaalsContact O-CD 3.29Å; P808-P810 WeakPolarHBondContact O-CD 3.42Å; P810-R818 VanDerWaalsContact CB-NH1 3.33Å; P810-R818 WeakPolarHBondContact O-CD 3.47Å; P810-R818 PolarHBondContact O-NE 2.83Å
811	D	94.7	Very high	96.6	Very high	26 Å²	26	24 Å²	24	14%	0.139	14%	0.137	C	C	.	.			trans	-104.4	-1.9	178	67.2	-4.9	0	0	0	113.1	I809 G813 H814 I815 N816 V933 M945	I809-D811 PolarHBondContact O-N 3.42Å; D811-G813 VanDerWaalsContact C-N 3.26Å; D811-G813 PolarHBondContact O-N 3.49Å; D811-G813 PolarHBondContact OD1-N 2.89Å; D811-G813 VanDerWaalsContact OD1-N 3.08Å; D811-H814 PolarHBondContact O-N 3.1Å; D811-H814 IonicContact OD2-CE1 3.98Å; D811-H814 PolarHBondContact OD2-CE1 2.71Å; D811-H814 VanDerWaalsContact OD2-CE1 3.31Å; D811-H814 IonicContact OD2-CG 3.47Å; D811-H814 IonicContact OD2-ND1 3.92Å; D811-H814 PolarHBondContact OD2-ND1 2.8Å; D811-I815 PolarHBondContact O-N 3.31Å; D811-N816 PolarHBondContact O-N 3.08Å; D811-V933 HydrophobicContact CB-CG1 3.68Å; D811-M945 HydrophobicContact CB-CE 4.11Å; D811-M945 VanDerWaalsContact OD2-CE 3.27Å; D811-M945 WeakPolarHBondContact OD2-CE 3.43Å
812	D	94.2	Very high	96.7	Very high	66 Å²	66	23.4 Å²	23.4	35%	0.353	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	40.8	-177.1	-52.3	-41.6	0	0	0	113.2	I815 N816 R818	D812-I815 HydrophobicContact CB-CB 4.43Å; D812-I815 WeakPolarHBondContact O-CB 3.28Å; D812-I815 VanDerWaalsContact O-CD1 3.29Å; D812-I815 WeakPolarHBondContact O-CD1 3.11Å; D812-I815 VanDerWaalsContact O-CG1 3.26Å; D812-I815 WeakPolarHBondContact O-CG1 3.41Å; D812-N816 HydrophobicContact CB-CB 4.5Å; D812-N816 WeakPolarHBondContact OD2-CB 3.45Å; D812-N816 PolarHBondContact OD2-ND2 2.84Å; D812-R818 IonicContact OD1-CZ 3.73Å; D812-R818 IonicContact OD1-NH2 3.12Å; D812-R818 PolarHBondContact OD1-NH2 2.87Å; D812-R818 IonicContact OD2-CZ 3.83Å; D812-R818 IonicContact OD2-NE 2.75Å; D812-R818 IonicContact OD2-NH2 2.82Å; D812-R818 PolarHBondContact OD2-NH2 2.88Å
813	G	92.2	Very high	96.7	Very high	56 Å²	56	24.6 Å²	24.6	58%	0.577	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	42.7	-177.8	0	0	0	0	0	112.5	D811 I815	D811-G813 VanDerWaalsContact C-N 3.26Å; D811-G813 PolarHBondContact O-N 3.49Å; D811-G813 PolarHBondContact OD1-N 2.89Å; D811-G813 VanDerWaalsContact OD1-N 3.08Å; G813-I815 VanDerWaalsContact C-N 3.27Å; G813-I815 PolarHBondContact O-N 2.72Å
814	H	92.5	Very high	96.7	Very high	108 Å²	108	24.3 Å²	24.3	50%	0.5	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	26.8	-176.2	-49.1	-62.8	0	0	0	115	D811 V933 R934	D811-H814 PolarHBondContact O-N 3.1Å; D811-H814 IonicContact OD2-CE1 3.98Å; D811-H814 PolarHBondContact OD2-CE1 2.71Å; D811-H814 VanDerWaalsContact OD2-CE1 3.31Å; D811-H814 IonicContact OD2-CG 3.47Å; D811-H814 IonicContact OD2-ND1 3.92Å; D811-H814 PolarHBondContact OD2-ND1 2.8Å; H814-V933 HydrophobicContact CB-CB 4.48Å; H814-R934 PolarHBondContact O-NH1 3Å
815	I	94.8	Very high	96.6	Very high	103 Å²	103	25.3 Å²	25.3	53%	0.528	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-45.7	-179.1	-61.3	178.5	0	0	0	111.4	D811 D812 G813	D811-I815 PolarHBondContact O-N 3.31Å; D812-I815 HydrophobicContact CB-CB 4.43Å; D812-I815 WeakPolarHBondContact O-CB 3.28Å; D812-I815 VanDerWaalsContact O-CD1 3.29Å; D812-I815 WeakPolarHBondContact O-CD1 3.11Å; D812-I815 VanDerWaalsContact O-CG1 3.26Å; D812-I815 WeakPolarHBondContact O-CG1 3.41Å; G813-I815 VanDerWaalsContact C-N 3.27Å; G813-I815 PolarHBondContact O-N 2.72Å
816	N	95.5	Very high	96.4	Very high	33 Å²	33	25.4 Å²	25.4	18%	0.176	15%	0.145	C	C	.	.			trans	-115.9	127.6	-172	-70.7	-43.2	0	0	0	111.8	L739 D811 D812 V933	L739-N816 HydrophobicContact CD2-CB 4.32Å; D811-N816 PolarHBondContact O-N 3.08Å; D812-N816 HydrophobicContact CB-CB 4.5Å; D812-N816 WeakPolarHBondContact OD2-CB 3.45Å; D812-N816 PolarHBondContact OD2-ND2 2.84Å; N816-V933 WeakPolarHBondContact O-CG1 3.45Å
817	S	97.5	Very high	95.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	138.7	163.1	-67.3	0	0	0	0	109.8	L739 G740 R931 L932 V933	L739-S817 WeakPolarHBondContact CA-O 3.22Å; G740-S817 PolarHBondContact N-O 2.84Å; S817-R931 CarbonylContact C-O 3.55Å; S817-R931 WeakPolarHBondContact CA-O 3.27Å; S817-L932 WeakPolarHBondContact OG-CA 3.46Å; S817-V933 PolarHBondContact OG-N 3.19Å
818	R	98	Very high	95	Very high	26 Å²	26	30.6 Å²	30.6	10%	0.098	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.4	177.8	-68.4	-176.5	-168.7	170.2	7.5	111.7	Y737 Y738 L739 I809 P810 D812 R931	Y737-R818 HydrophobicContact CD2-CB 4.4Å; Y737-R818 HydrophobicContact CD2-CG 4.08Å; Y737-R818 HydrophobicContact CE2-CG 4.26Å; Y738-R818 WeakPolarHBondContact O-CA 2.98Å; L739-R818 HydrophobicContact CD2-CG 4.16Å; I809-R818 HydrophobicContact CG2-CB 3.55Å; I809-R818 HydrophobicContact CG2-CG 4.4Å; P810-R818 VanDerWaalsContact CB-NH1 3.33Å; P810-R818 WeakPolarHBondContact O-CD 3.47Å; P810-R818 PolarHBondContact O-NE 2.83Å; D812-R818 IonicContact OD1-CZ 3.73Å; D812-R818 IonicContact OD1-NH2 3.12Å; D812-R818 PolarHBondContact OD1-NH2 2.87Å; D812-R818 IonicContact OD2-CZ 3.83Å; D812-R818 IonicContact OD2-NE 2.75Å; D812-R818 IonicContact OD2-NH2 2.82Å; D812-R818 PolarHBondContact OD2-NH2 2.88Å; R818-R931 PolarHBondContact N-O 2.63Å; R818-R931 PolarHBondContact O-N 3.46Å
819	E	98.2	Very high	93.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	103.5	-177.9	-64.2	174	103	0	0	108.2	Y737 Y738 F753 M927 R930 L932	Y737-E819 CarbonylContact C-O 3.51Å; Y737-E819 VanDerWaalsContact CA-O 3.24Å; Y737-E819 WeakPolarHBondContact CA-O 3.32Å; Y737-E819 WeakPolarHBondContact CB-O 3.26Å; Y738-E819 PolarHBondContact N-O 2.84Å; Y738-E819 PolarHBondContact O-N 3.49Å; F753-E819 WeakPolarHBondContact CD2-OE1 3.41Å; F753-E819 WeakPolarHBondContact CD2-OE2 3.02Å; F753-E819 WeakPolarHBondContact CE2-OE2 3.49Å; E819-M927 HydrophobicContact CB-CE 4.25Å; E819-R930 HydrophobicContact CB-CG 4.42Å; E819-R930 HydrophobicContact CG-CB 4.11Å; E819-R930 HydrophobicContact CG-CG 4.1Å; E819-R930 WeakPolarHBondContact OE1-CD 3.35Å; E819-R930 IonicContact OE1-CZ 3.68Å; E819-R930 IonicContact OE1-NE 3.37Å; E819-R930 IonicContact OE1-NH1 2.64Å; E819-R930 PolarHBondContact OE1-NH1 2.95Å; E819-L932 HydrophobicContact CG-CD2 3.76Å
820	L	98.6	Very high	92.3	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.9	-174.9	-177.5	75	0	0	0	109.9	L736 F764 W787 A788 A806 I809 L928 H929	L736-L820 VanDerWaalsContact O-CD1 3.25Å; L736-L820 WeakPolarHBondContact O-CD1 3.5Å; F764-L820 HydrophobicContact CE2-CD1 3.81Å; F764-L820 HydrophobicContact CZ-CD1 3.83Å; W787-L820 HydrophobicContact CH2-CD1 4.26Å; W787-L820 HydrophobicContact CZ3-CB 4.43Å; W787-L820 HydrophobicContact CZ3-CD1 3.89Å; A788-L820 HydrophobicContact CB-CD1 4.49Å; A806-L820 HydrophobicContact CB-CD2 3.37Å; I809-L820 HydrophobicContact CD1-CB 4.4Å; L820-L928 HydrophobicContact CD2-CB 4.38Å; L820-L928 HydrophobicContact CD2-CD1 4.2Å; L820-L928 PolarHBondContact O-N 2.83Å; L820-H929 PolarHBondContact N-O 3.01Å
821	V	98.7	Very high	91.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.7	177.2	-51.7	0	0	0	0	110.6	L736 Y738 I761 E925 L926 M927	L736-V821 HydrophobicContact CB-CG2 3.87Å; L736-V821 HydrophobicContact CD1-CG2 4.35Å; L736-V821 PolarHBondContact N-O 3.38Å; L736-V821 PolarHBondContact O-N 2.88Å; Y738-V821 HydrophobicContact CD2-CG1 4.05Å; Y738-V821 HydrophobicContact CE2-CG1 4.16Å; Y738-V821 HydrophobicContact CE2-CG2 4.41Å; I761-V821 HydrophobicContact CD1-CG2 3.78Å; V821-E925 HydrophobicContact CB-CG 3.97Å; V821-E925 HydrophobicContact CG1-CG 4.49Å; V821-E925 HydrophobicContact CG2-CG 4.03Å; V821-L926 CarbonylContact C-O 3.54Å; V821-L926 VanDerWaalsContact CA-O 3.27Å; V821-L926 WeakPolarHBondContact CA-O 3.28Å; V821-L926 WeakPolarHBondContact CB-O 3.35Å; V821-M927 HydrophobicContact CG1-CB 4.09Å; V821-M927 HydrophobicContact CG1-CG 4.23Å
822	I	98.7	Very high	91	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143	165.7	-171.7	164.7	0	0	0	109.2	I733 E734 L735 L790 V802 Y824 E925 L926 L928 H960	I733-I822 HydrophobicContact CG2-CD1 3.87Å; I733-I822 HydrophobicContact CG2-CG1 4.16Å; E734-I822 WeakPolarHBondContact O-CA 3.45Å; L735-I822 HydrophobicContact CD2-CB 3.9Å; L735-I822 HydrophobicContact CD2-CD1 4.36Å; L735-I822 HydrophobicContact CD2-CG1 4.19Å; L790-I822 HydrophobicContact CD1-CD1 4.11Å; L790-I822 HydrophobicContact CD2-CD1 3.81Å; V802-I822 HydrophobicContact CG1-CD1 3.77Å; I822-Y824 HydrophobicContact CD1-CE1 4.35Å; I822-Y824 HydrophobicContact CD1-CE2 4.23Å; I822-Y824 WeakPolarHBondContact CD1-OH 3.44Å; I822-Y824 HydrophobicContact CG1-CE2 4.02Å; I822-Y824 HydrophobicContact CG2-CE2 3.84Å; I822-E925 WeakPolarHBondContact O-CA 3.38Å; I822-L926 HydrophobicContact CG2-CB 3.96Å; I822-L926 PolarHBondContact N-O 2.96Å; I822-L926 PolarHBondContact O-N 2.83Å; I822-L928 HydrophobicContact CB-CD1 3.9Å; I822-L928 HydrophobicContact CB-CD2 4.42Å; I822-L928 HydrophobicContact CB-CG 4.24Å; I822-L928 HydrophobicContact CG2-CD1 4.06Å; I822-L928 HydrophobicContact CG2-CD2 3.65Å; I822-L928 HydrophobicContact CG2-CG 3.95Å; I822-H960 VanDerWaalsContact CG2-CE1 3.49Å; I822-H960 WeakPolarHBondContact CG2-CE1 3.19Å
823	R	98.2	Very high	90.7	Very high	25 Å²	25	44 Å²	44	9%	0.094	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.5	-177.5	179.6	-175.1	-82.8	175.3	2.9	110.9	I733 E734 L736 I761 Q923 I924 E925	I733-R823 WeakPolarHBondContact CA-O 3.44Å; E734-R823 HydrophobicContact CG-CB 4.18Å; E734-R823 PolarHBondContact N-O 3.48Å; E734-R823 PolarHBondContact O-N 2.9Å; E734-R823 VanDerWaalsContact OE1-CD 3.32Å; E734-R823 WeakPolarHBondContact OE1-CD 3.45Å; E734-R823 IonicContact OE1-NH1 2.76Å; L736-R823 HydrophobicContact CD1-CB 3.49Å; L736-R823 VanDerWaalsContact CD1-CB 3.49Å; L736-R823 HydrophobicContact CD1-CG 4.37Å; I761-R823 VanDerWaalsContact CD1-NH2 3.31Å; R823-Q923 HydrophobicContact CG-CG 3.69Å; R823-I924 WeakPolarHBondContact CA-O 3.43Å; R823-E925 IonicContact CZ-OE2 2.67Å; R823-E925 VanDerWaalsContact CZ-OE2 3.25Å; R823-E925 IonicContact NE-OE2 3.6Å; R823-E925 PolarHBondContact NE-OE2 3.37Å; R823-E925 IonicContact NH2-OE2 2.79Å; R823-E925 PolarHBondContact NH2-OE2 2.84Å
824	Y	98.2	Very high	90.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.8	178.8	-62.9	-80.4	0	0	0	107.4	S732 I733 V802 I822 I908 Q923 I924 L926 H960 I962	S732-Y824 WeakPolarHBondContact O-CA 3.06Å; I733-Y824 HydrophobicContact CB-CD1 4.5Å; I733-Y824 HydrophobicContact CB-CE1 4.47Å; I733-Y824 HydrophobicContact CD1-CE1 4.34Å; I733-Y824 HydrophobicContact CG1-CD1 3.88Å; I733-Y824 HydrophobicContact CG1-CE1 3.98Å; I733-Y824 HydrophobicContact CG2-CD1 4.21Å; I733-Y824 HydrophobicContact CG2-CE1 3.79Å; V802-Y824 HydrophobicContact CG2-CE1 4.19Å; I822-Y824 HydrophobicContact CD1-CE1 4.35Å; I822-Y824 HydrophobicContact CD1-CE2 4.23Å; I822-Y824 WeakPolarHBondContact CD1-OH 3.44Å; I822-Y824 HydrophobicContact CG1-CE2 4.02Å; I822-Y824 HydrophobicContact CG2-CE2 3.84Å; Y824-I908 HydrophobicContact CD1-CD1 4.01Å; Y824-I908 HydrophobicContact CD2-CD1 3.1Å; Y824-I908 HydrophobicContact CE1-CD1 4.41Å; Y824-I908 HydrophobicContact CE2-CD1 3.53Å; Y824-I908 HydrophobicContact CE2-CG2 4.23Å; Y824-I908 HydrophobicContact CG-CD1 3.33Å; Y824-Q923 CarbonylContact O-C 3.59Å; Y824-Q923 VanDerWaalsContact O-CA 3.29Å; Y824-Q923 WeakPolarHBondContact O-CA 2.93Å; Y824-I924 HydrophobicContact CD2-CG2 4.44Å; Y824-I924 PolarHBondContact N-O 3.34Å; Y824-I924 PolarHBondContact O-N 3.11Å; Y824-L926 HydrophobicContact CE2-CD1 4.38Å; Y824-H960 AromaticContact CE2-ND1 3.77Å; Y824-H960 AromaticContact CZ-ND1 3.75Å; Y824-H960 WeakPolarHBondContact OH-CB 3.47Å; Y824-H960 PolarHBondContact OH-ND1 3.49Å; Y824-I962 HydrophobicContact CD1-CD1 3.84Å; Y824-I962 HydrophobicContact CE1-CD1 3.35Å; Y824-I962 HydrophobicContact CE1-CG1 4.27Å
825	T	96.2	Very high	90.8	Very high	22 Å²	22	45 Å²	45	14%	0.135	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.8	-177.1	-53.2	0	0	0	0	110.1	S732 N827 Q923	S732-T825 PolarHBondContact N-O 3.06Å; S732-T825 PolarHBondContact O-N 3.3Å; T825-N827 WeakPolarHBondContact CG2-OD1 3.39Å; T825-Q923 PolarHBondContact OG1-NE2 2.81Å; T825-Q923 VanDerWaalsContact OG1-NE2 3.14Å
826	L	94.6	Very high	90.8	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.5	169.3	-63.8	173.4	0	0	0	109.6	M720 N730 L731 M831 I887 L906 G922 F964	M720-L826 HydrophobicContact CE-CD2 3.69Å; M720-L826 HydrophobicContact SD-CD2 4.31Å; N730-L826 CarbonylContact O-C 3.59Å; N730-L826 WeakPolarHBondContact O-CA 3.39Å; L731-L826 HydrophobicContact CB-CD2 4.36Å; L731-L826 HydrophobicContact CD1-CD2 3.84Å; L731-L826 HydrophobicContact CD1-CG 4.41Å; L826-M831 HydrophobicContact CB-SD 3.67Å; L826-M831 HydrophobicContact CD1-SD 4.35Å; L826-I887 HydrophobicContact CD1-CD1 3.31Å; L826-I887 HydrophobicContact CD1-CG1 4.18Å; L826-I887 HydrophobicContact CD1-CG2 4.29Å; L826-L906 HydrophobicContact CD1-CB 4.43Å; L826-L906 HydrophobicContact CD1-CD2 4.05Å; L826-L906 HydrophobicContact CD2-CD2 4.3Å; L826-L906 HydrophobicContact CG-CD2 4.08Å; L826-G922 WeakPolarHBondContact CB-O 3.04Å; L826-G922 PolarHBondContact N-O 3Å; L826-F964 HydrophobicContact CD1-CE2 4.22Å; L826-F964 HydrophobicContact CD2-CD2 4.34Å; L826-F964 HydrophobicContact CD2-CE2 3.8Å
827	N	85.6	Confident	90.9	Very high	70 Å²	70	43 Å²	43	37%	0.374	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.3	-177.2	-66.3	-38.7	0	0	0	109	N730 S732 T825	N730-N827 HydrophobicContact CB-CB 4.41Å; N730-N827 WeakPolarHBondContact CB-O 3.41Å; N730-N827 PolarHBondContact N-O 3.48Å; N730-N827 VanDerWaalsContact N-O 3.08Å; N730-N827 PolarHBondContact O-N 3.08Å; S732-N827 PolarHBondContact OG-ND2 3.34Å; T825-N827 WeakPolarHBondContact CG2-OD1 3.39Å
828	N	78.1	Confident	90.9	Very high	38 Å²	38	43.7 Å²	43.7	20%	0.203	23%	0.23	C	C	.	.			trans	-166.6	137.9	162.6	-166.6	-32	0	0	0	109.2	Y728 M729 N830 M831	Y728-N828 PolarHBondContact O-ND2 2.89Å; M729-N828 HydrophobicContact CG-CB 4.25Å; N828-N830 PolarHBondContact O-N 3.08Å; N828-N830 PolarHBondContact OD1-N 3.37Å; N828-M831 HydrophobicContact CB-CB 4.26Å; N828-M831 WeakPolarHBondContact O-CB 3.14Å; N828-M831 PolarHBondContact O-N 2.73Å
829	D	70.2	Confident	90.9	Very high	167 Å²	167	42.5 Å²	42.5	89%	0.893	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-24.6	173.5	-63.1	-31.6	0	0	0	112.8
830	N	68.1	Low	90.9	Very high	100 Å²	100	43.6 Å²	43.6	54%	0.535	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	15.1	-179.4	-62.4	-42.4	0	0	0	114.4	N828 S890	N828-N830 PolarHBondContact O-N 3.08Å; N828-N830 PolarHBondContact OD1-N 3.37Å; N830-S890 PolarHBondContact O-OG 2.93Å
831	M	76.9	Confident	90.9	Very high	40 Å²	40	43.6 Å²	43.6	20%	0.197	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.4	176.3	-177.4	-172.3	70.1	0	0	110.5	M729 L826 N828 V833 I887	M729-M831 HydrophobicContact SD-CG 4.14Å; M729-M831 HydrophobicContact SD-SD 4.26Å; L826-M831 HydrophobicContact CB-SD 3.67Å; L826-M831 HydrophobicContact CD1-SD 4.35Å; N828-M831 HydrophobicContact CB-CB 4.26Å; N828-M831 WeakPolarHBondContact O-CB 3.14Å; N828-M831 PolarHBondContact O-N 2.73Å; M831-V833 HydrophobicContact CE-CG2 4.1Å; M831-I887 HydrophobicContact CG-CG2 3.61Å; M831-I887 HydrophobicContact SD-CG2 3.83Å
832	L	85.2	Confident	90.8	Very high	93 Å²	93	43.6 Å²	43.6	49%	0.487	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.5	171.5	-77.7	155	0	0	0	109.6	L888 E901	L832-L888 HydrophobicContact CB-CB 4.05Å; L832-L888 HydrophobicContact CB-CD1 4.42Å; L832-L888 PolarHBondContact N-O 2.84Å; L832-L888 WeakPolarHBondContact O-CB 3.36Å; L832-L888 PolarHBondContact O-N 3.32Å; L832-E901 WeakPolarHBondContact CD1-OE1 3.29Å
833	V	89.3	Confident	90.7	Very high	35 Å²	35	43.7 Å²	43.7	21%	0.212	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.4	173.8	178.6	0	0	0	0	107.9	M831 N835 D921	M831-V833 HydrophobicContact CE-CG2 4.1Å; V833-N835 VanDerWaalsContact C-N 3.29Å; V833-N835 PolarHBondContact O-N 3.41Å; V833-D921 HydrophobicContact CB-CB 4.38Å; V833-D921 HydrophobicContact CG1-CB 4.39Å; V833-D921 HydrophobicContact CG2-CB 4.1Å
834	K	91.5	Very high	90.5	Very high	127 Å²	127	42.6 Å²	42.6	55%	0.552	23%	0.227	S	C	*	.	S	Bend	trans	-57.3	-41.9	-174.7	-170.4	174.4	179.8	173.6	0	112.9	N886 L888	K834-N886 HydrophobicContact CB-CB 3.71Å; K834-N886 WeakPolarHBondContact CB-O 3.42Å; K834-N886 HydrophobicContact CD-CB 4.02Å; K834-N886 HydrophobicContact CG-CB 4.47Å; K834-N886 PolarHBondContact N-O 3.41Å; K834-L888 HydrophobicContact CB-CD1 3.96Å; K834-L888 HydrophobicContact CB-CG 4.25Å; K834-L888 HydrophobicContact CG-CD1 4.34Å
835	N	94.8	Very high	90.4	Very high	60 Å²	60	42.6 Å²	42.6	32%	0.321	23%	0.227	S	C	.	.	S	Bend	trans	-123.4	86.5	-177.2	-59.6	-35.1	0	0	0	109.8	V833 G837 E838	V833-N835 VanDerWaalsContact C-N 3.29Å; V833-N835 PolarHBondContact O-N 3.41Å; N835-G837 PolarHBondContact O-N 3.09Å; N835-E838 HydrophobicContact CB-CB 3.76Å; N835-E838 HydrophobicContact CB-CG 4.4Å; N835-E838 PolarHBondContact ND2-OE1 3.23Å; N835-E838 PolarHBondContact ND2-OE2 2.88Å; N835-E838 VanDerWaalsContact O-CB 3.26Å; N835-E838 WeakPolarHBondContact O-CB 2.97Å; N835-E838 PolarHBondContact O-N 3.37Å; N835-E838 VanDerWaalsContact O-N 3.14Å
836	P	95.4	Very high	90.3	Very high	88 Å²	88	41.6 Å²	41.6	57%	0.571	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	135.6	178	-31.1	38.7	0	0	0	113.2	E838 D921	P836-E838 PolarHBondContact O-N 2.7Å; P836-D921 WeakPolarHBondContact CB-OD2 3.38Å
837	G	96	Very high	90.3	Very high	4 Å²	4	42.2 Å²	42.2	4%	0.041	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-3.2	-178.2	0	0	0	0	0	116.2	N835 I852 R853 D921	N835-G837 PolarHBondContact O-N 3.09Å; G837-I852 WeakPolarHBondContact O-CA 3.34Å; G837-R853 PolarHBondContact O-N 3.46Å; G837-D921 WeakPolarHBondContact CA-OD1 3.4Å; G837-D921 PolarHBondContact N-OD1 2.92Å
838	E	97.7	Very high	90.7	Very high	17 Å²	17	40.2 Å²	40.2	8%	0.079	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	131.6	177.5	-176	179.1	85.1	0	0	112.2	N835 P836 F840 K850 R851 I852	N835-E838 HydrophobicContact CB-CB 3.76Å; N835-E838 HydrophobicContact CB-CG 4.4Å; N835-E838 PolarHBondContact ND2-OE1 3.23Å; N835-E838 PolarHBondContact ND2-OE2 2.88Å; N835-E838 VanDerWaalsContact O-CB 3.26Å; N835-E838 WeakPolarHBondContact O-CB 2.97Å; N835-E838 PolarHBondContact O-N 3.37Å; N835-E838 VanDerWaalsContact O-N 3.14Å; P836-E838 PolarHBondContact O-N 2.7Å; E838-F840 HydrophobicContact CG-CE2 3.76Å; E838-F840 HydrophobicContact CG-CZ 4.01Å; E838-K850 HydrophobicContact CG-CD 4.4Å; E838-K850 HydrophobicContact CG-CG 4.25Å; E838-K850 WeakPolarHBondContact OE2-CD 3.46Å; E838-K850 WeakPolarHBondContact OE2-CE 3.44Å; E838-K850 IonicContact OE2-NZ 3.23Å; E838-K850 PolarHBondContact OE2-NZ 3.01Å; E838-R851 WeakPolarHBondContact CA-O 3.34Å; E838-I852 HydrophobicContact CB-CD1 3.75Å; E838-I852 HydrophobicContact CG-CD1 4.03Å
839	F	98.2	Very high	91.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	171.5	169.3	65.4	-77.9	0	0	0	110.3	T841 R851 Y876 I882 L884	F839-T841 HydrophobicContact CD2-CG2 4.28Å; F839-T841 HydrophobicContact CE2-CG2 4.11Å; F839-R851 HydrophobicContact CD1-CB 3.87Å; F839-R851 HydrophobicContact CD2-CB 3.93Å; F839-R851 HydrophobicContact CD2-CG 4.17Å; F839-R851 HydrophobicContact CE1-CB 3.59Å; F839-R851 HydrophobicContact CE2-CB 3.64Å; F839-R851 HydrophobicContact CE2-CG 3.8Å; F839-R851 HydrophobicContact CG-CB 4.06Å; F839-R851 HydrophobicContact CZ-CB 3.48Å; F839-R851 VanDerWaalsContact CZ-CB 3.48Å; F839-R851 HydrophobicContact CZ-CG 4.06Å; F839-R851 PolarHBondContact N-O 3.42Å; F839-R851 PolarHBondContact O-N 2.79Å; F839-R851 VanDerWaalsContact O-O 3.13Å; F839-Y876 HydrophobicContact CE1-CE2 4.48Å; F839-Y876 AromaticContact CE2-CD2 3.82Å; F839-Y876 HydrophobicContact CE2-CD2 3.82Å; F839-Y876 HydrophobicContact CE2-CE2 4.24Å; F839-Y876 AromaticContact CZ-CD2 3.62Å; F839-Y876 HydrophobicContact CZ-CD2 3.62Å; F839-Y876 AromaticContact CZ-CE2 3.59Å; F839-Y876 HydrophobicContact CZ-CE2 3.59Å; F839-I882 HydrophobicContact CD2-CD1 4.15Å; F839-I882 HydrophobicContact CE2-CD1 4.47Å; F839-L884 HydrophobicContact CB-CD2 3.65Å
840	F	98	Very high	92.6	Very high	24 Å²	24	35.3 Å²	35.3	11%	0.105	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.8	-175.6	-60.7	-99.4	0	0	0	110.6	E838 L848 I849 K850 I882 M883 K885	E838-F840 HydrophobicContact CG-CE2 3.76Å; E838-F840 HydrophobicContact CG-CZ 4.01Å; F840-L848 HydrophobicContact CB-CB 4.42Å; F840-L848 HydrophobicContact CB-CD1 4.35Å; F840-L848 HydrophobicContact CB-CD2 4.4Å; F840-I849 VanDerWaalsContact CA-O 3.31Å; F840-I849 WeakPolarHBondContact CA-O 3.35Å; F840-K850 HydrophobicContact CD1-CB 4.03Å; F840-K850 HydrophobicContact CE1-CB 3.65Å; F840-K850 HydrophobicContact CE1-CD 4.49Å; F840-K850 HydrophobicContact CE1-CG 4.07Å; F840-K850 HydrophobicContact CZ-CB 4.35Å; F840-K850 HydrophobicContact CZ-CD 4.5Å; F840-K850 HydrophobicContact CZ-CG 4.28Å; F840-I882 CarbonylContact O-C 3.59Å; F840-I882 WeakPolarHBondContact O-CA 3.46Å; F840-I882 WeakPolarHBondContact O-CG1 3.39Å; F840-M883 HydrophobicContact CB-CB 4.32Å; F840-M883 PolarHBondContact N-O 2.92Å; F840-M883 PolarHBondContact O-N 3.29Å; F840-K885 HydrophobicContact CD2-CB 4.29Å; F840-K885 HydrophobicContact CD2-CD 3.82Å; F840-K885 HydrophobicContact CD2-CG 3.71Å; F840-K885 HydrophobicContact CE1-CD 4.33Å; F840-K885 HydrophobicContact CE2-CB 3.83Å; F840-K885 HydrophobicContact CE2-CD 3.56Å; F840-K885 HydrophobicContact CE2-CG 3.65Å; F840-K885 HydrophobicContact CG-CD 4.36Å; F840-K885 HydrophobicContact CZ-CD 3.84Å; F840-K885 HydrophobicContact CZ-CG 4.42Å
841	T	98.3	Very high	94	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	154.8	171.6	52.1	0	0	0	0	108.9	F839 L848 I849 R851 P877 V878 I882	F839-T841 HydrophobicContact CD2-CG2 4.28Å; F839-T841 HydrophobicContact CE2-CG2 4.11Å; T841-L848 CarbonylContact O-C 3.53Å; T841-L848 WeakPolarHBondContact O-CA 3.4Å; T841-I849 PolarHBondContact N-O 2.91Å; T841-I849 VanDerWaalsContact N-O 3.13Å; T841-I849 VanDerWaalsContact O-CG2 3.29Å; T841-I849 WeakPolarHBondContact O-CG2 3.44Å; T841-I849 PolarHBondContact O-N 3.16Å; T841-I849 WeakPolarHBondContact OG1-CG2 3.25Å; T841-R851 HydrophobicContact CG2-CG 4.43Å; T841-R851 PolarHBondContact OG1-NE 2.96Å; T841-P877 WeakPolarHBondContact CB-O 3.35Å; T841-V878 HydrophobicContact CG2-CG2 3.96Å; T841-I882 HydrophobicContact CG2-CD1 4.02Å; T841-I882 HydrophobicContact CG2-CG1 4.16Å
842	D	97.5	Very high	94.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	159.3	169.2	73.5	80.9	0	0	0	112.2	G845 R847 L848 I879 N880 R881	D842-G845 WeakPolarHBondContact OD1-CA 3.38Å; D842-G845 PolarHBondContact OD1-N 3.12Å; D842-R847 CarbonylContact C-O 3.48Å; D842-L848 HydrophobicContact CB-CD2 4.41Å; D842-I879 VanDerWaalsContact OD1-CB 3.27Å; D842-I879 WeakPolarHBondContact OD1-CB 3.26Å; D842-I879 PolarHBondContact OD1-N 2.8Å; D842-I879 PolarHBondContact OD2-N 3.28Å; D842-N880 PolarHBondContact OD2-N 3.2Å; D842-N880 PolarHBondContact OD2-OD1 3.27Å; D842-R881 HydrophobicContact CB-CG 3.95Å; D842-R881 PolarHBondContact N-O 3.12Å; D842-R881 VanDerWaalsContact N-O 3.1Å; D842-R881 PolarHBondContact OD2-N 3.01Å; D842-R881 VanDerWaalsContact OD2-O 3.07Å
843	S	95.8	Very high	95.5	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.014	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.3	170.4	-159.5	0	0	0	0	107.9	S200 D202 G845 R846 R847	S200-S843 PolarHBondContact OG-OG 3.18Å; D202-S843 VanDerWaalsContact CB-O 3.31Å; D202-S843 WeakPolarHBondContact CB-O 3.4Å; D202-S843 WeakPolarHBondContact OD2-CB 3.45Å; S843-G845 PolarHBondContact O-N 2.86Å; S843-G845 VanDerWaalsContact O-N 3.15Å; S843-R846 PolarHBondContact O-N 3.04Å; S843-R847 PolarHBondContact N-O 3.28Å
844	S	95.3	Very high	95.9	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	26.4	-173.3	-62	0	0	0	0	114.6	Y164 S200 R846	Y164-S844 WeakPolarHBondContact CB-O 3.29Å; Y164-S844 PolarHBondContact N-O 3.43Å; S200-S844 WeakPolarHBondContact CB-OG 3.46Å; S200-S844 PolarHBondContact OG-OG 3.07Å; S844-R846 PolarHBondContact O-N 2.98Å
845	G	96.1	Very high	96	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	0.2	-175.7	0	0	0	0	0	115.3	D842 S843 N880 R881	D842-G845 WeakPolarHBondContact OD1-CA 3.38Å; D842-G845 PolarHBondContact OD1-N 3.12Å; S843-G845 PolarHBondContact O-N 2.86Å; S843-G845 VanDerWaalsContact O-N 3.15Å; G845-N880 PolarHBondContact O-ND2 3.08Å; G845-R881 PolarHBondContact O-NH1 3.17Å; G845-R881 VanDerWaalsContact O-NH1 3.09Å
846	R	94.4	Very high	95.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-74.8	-168.8	-165.3	-177.5	169.3	-148	-0.9	113.2	Y164 D202 D205 S843 S844 R881 E1044 G1131	Y164-R846 HydrophobicContact CD1-CB 4.15Å; Y164-R846 HydrophobicContact CD2-CG 4.27Å; Y164-R846 HydrophobicContact CE2-CG 4.38Å; Y164-R846 HydrophobicContact CG-CB 4.11Å; Y164-R846 HydrophobicContact CG-CG 4.32Å; D202-R846 HydrophobicContact CB-CB 4.49Å; D205-R846 IonicContact OD2-CZ 2.72Å; D205-R846 IonicContact OD2-NH1 3.11Å; D205-R846 PolarHBondContact OD2-NH1 3.26Å; D205-R846 IonicContact OD2-NH2 3.39Å; S843-R846 PolarHBondContact O-N 3.04Å; S844-R846 PolarHBondContact O-N 2.98Å; R846-R881 PolarHBondContact O-NH2 3.36Å; R846-E1044 IonicContact CZ-OE1 3.37Å; R846-E1044 IonicContact NE-OE1 3.01Å; R846-E1044 PolarHBondContact NE-OE1 2.75Å; R846-E1044 IonicContact NH2-OE1 3.08Å; R846-G1131 PolarHBondContact NH2-O 2.7Å; R846-G1131 VanDerWaalsContact NH2-O 3.11Å
847	R	93.3	Very high	95.6	Very high	19 Å²	19	26.6 Å²	26.6	7%	0.072	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	153.9	-178.5	-63.9	174.1	-59	-179.2	2.5	110.6	D202 D205 T240 I242 D842 S843	D202-R847 WeakPolarHBondContact OD1-CB 3.4Å; D202-R847 IonicContact OD1-CZ 3.5Å; D202-R847 VanDerWaalsContact OD1-CZ 3.25Å; D202-R847 IonicContact OD1-NE 2.78Å; D202-R847 PolarHBondContact OD1-NE 2.8Å; D202-R847 IonicContact OD1-NH2 3.57Å; D202-R847 PolarHBondContact OD1-NH2 3.17Å; D202-R847 IonicContact OD2-NE 2.85Å; D202-R847 IonicContact OD2-NH2 3.45Å; D202-R847 PolarHBondContact OD2-NH2 3.22Å; D205-R847 IonicContact OD1-NH2 2.81Å; D205-R847 IonicContact OD2-CZ 2.71Å; D205-R847 IonicContact OD2-NH1 3.53Å; D205-R847 IonicContact OD2-NH2 3.31Å; D205-R847 PolarHBondContact OD2-NH2 3.17Å; T240-R847 PolarHBondContact O-NH2 2.86Å; I242-R847 HydrophobicContact CD1-CB 4.27Å; I242-R847 HydrophobicContact CD1-CG 4.32Å; D842-R847 CarbonylContact C-O 3.48Å; S843-R847 PolarHBondContact N-O 3.28Å
848	L	94.4	Very high	95.2	Very high	27 Å²	27	27.6 Å²	27.6	14%	0.141	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	151.1	175.7	-66.3	176.4	0	0	0	111.5	R201 F840 T841 D842 R881 M883	R201-L848 PolarHBondContact NH2-O 3.02Å; F840-L848 HydrophobicContact CB-CB 4.42Å; F840-L848 HydrophobicContact CB-CD1 4.35Å; F840-L848 HydrophobicContact CB-CD2 4.4Å; T841-L848 CarbonylContact O-C 3.53Å; T841-L848 WeakPolarHBondContact O-CA 3.4Å; D842-L848 HydrophobicContact CB-CD2 4.41Å; L848-R881 HydrophobicContact CD2-CG 4.04Å; L848-M883 HydrophobicContact CD1-CE 3.94Å; L848-M883 HydrophobicContact CD1-SD 3.93Å
849	I	93.6	Very high	94.8	Very high	11 Å²	11	27.3 Å²	27.3	6%	0.056	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.5	170	-176	165	0	0	0	109.3	D379 F840 T841 R851	D379-I849 HydrophobicContact CB-CD1 4.09Å; F840-I849 VanDerWaalsContact CA-O 3.31Å; F840-I849 WeakPolarHBondContact CA-O 3.35Å; T841-I849 PolarHBondContact N-O 2.91Å; T841-I849 VanDerWaalsContact N-O 3.13Å; T841-I849 VanDerWaalsContact O-CG2 3.29Å; T841-I849 WeakPolarHBondContact O-CG2 3.44Å; T841-I849 PolarHBondContact O-N 3.16Å; T841-I849 WeakPolarHBondContact OG1-CG2 3.25Å; I849-R851 VanDerWaalsContact CG2-CZ 3.43Å; I849-R851 VanDerWaalsContact CG2-NH2 3.27Å
850	K	95.3	Very high	94.2	Very high	91 Å²	91	32.2 Å²	32.2	40%	0.396	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	131.7	178.6	175.8	172.6	164	161.9	0	110	E838 F840 I857	E838-K850 HydrophobicContact CG-CD 4.4Å; E838-K850 HydrophobicContact CG-CG 4.25Å; E838-K850 WeakPolarHBondContact OE2-CD 3.46Å; E838-K850 WeakPolarHBondContact OE2-CE 3.44Å; E838-K850 IonicContact OE2-NZ 3.23Å; E838-K850 PolarHBondContact OE2-NZ 3.01Å; F840-K850 HydrophobicContact CD1-CB 4.03Å; F840-K850 HydrophobicContact CE1-CB 3.65Å; F840-K850 HydrophobicContact CE1-CD 4.49Å; F840-K850 HydrophobicContact CE1-CG 4.07Å; F840-K850 HydrophobicContact CZ-CB 4.35Å; F840-K850 HydrophobicContact CZ-CD 4.5Å; F840-K850 HydrophobicContact CZ-CG 4.28Å; K850-I857 HydrophobicContact CD-CD1 4.34Å; K850-I857 HydrophobicContact CG-CD1 4.37Å
851	R	96.9	Very high	93.8	Very high	9 Å²	9	32.2 Å²	32.2	3%	0.034	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	141.8	173.6	-51.5	-54.7	-170.9	177.8	0.2	109	D379 E838 F839 T841 I849 Y876	D379-R851 IonicContact OD1-CZ 3.39Å; D379-R851 IonicContact OD1-NH1 3.48Å; D379-R851 PolarHBondContact OD1-NH1 3.21Å; D379-R851 IonicContact OD1-NH2 2.73Å; D379-R851 PolarHBondContact OD1-NH2 2.8Å; D379-R851 IonicContact OD2-CZ 3.31Å; D379-R851 IonicContact OD2-NH1 3.87Å; D379-R851 IonicContact OD2-NH2 3.17Å; D379-R851 PolarHBondContact OD2-NH2 2.7Å; E838-R851 WeakPolarHBondContact CA-O 3.34Å; F839-R851 HydrophobicContact CD1-CB 3.87Å; F839-R851 HydrophobicContact CD2-CB 3.93Å; F839-R851 HydrophobicContact CD2-CG 4.17Å; F839-R851 HydrophobicContact CE1-CB 3.59Å; F839-R851 HydrophobicContact CE2-CB 3.64Å; F839-R851 HydrophobicContact CE2-CG 3.8Å; F839-R851 HydrophobicContact CG-CB 4.06Å; F839-R851 HydrophobicContact CZ-CB 3.48Å; F839-R851 VanDerWaalsContact CZ-CB 3.48Å; F839-R851 HydrophobicContact CZ-CG 4.06Å; F839-R851 PolarHBondContact N-O 3.42Å; F839-R851 PolarHBondContact O-N 2.79Å; F839-R851 VanDerWaalsContact O-O 3.13Å; T841-R851 HydrophobicContact CG2-CG 4.43Å; T841-R851 PolarHBondContact OG1-NE 2.96Å; I849-R851 VanDerWaalsContact CG2-CZ 3.43Å; I849-R851 VanDerWaalsContact CG2-NH2 3.27Å; R851-Y876 HydrophobicContact CB-CD2 4.37Å; R851-Y876 HydrophobicContact CB-CE2 4.03Å; R851-Y876 VanDerWaalsContact CD-CE1 3.46Å; R851-Y876 HydrophobicContact CG-CD1 4.29Å; R851-Y876 HydrophobicContact CG-CD2 3.95Å; R851-Y876 HydrophobicContact CG-CE1 4.29Å; R851-Y876 HydrophobicContact CG-CE2 4.02Å; R851-Y876 HydrophobicContact CG-CG 4.09Å
852	I	96.7	Very high	93.3	Very high	22 Å²	22	37.7 Å²	37.7	11%	0.113	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.8	170.8	-58.8	-65.9	0	0	0	107.3	G837 E838 N854 Q855 I857	G837-I852 WeakPolarHBondContact O-CA 3.34Å; E838-I852 HydrophobicContact CB-CD1 3.75Å; E838-I852 HydrophobicContact CG-CD1 4.03Å; I852-N854 PolarHBondContact O-N 2.77Å; I852-Q855 HydrophobicContact CB-CB 4.05Å; I852-Q855 HydrophobicContact CG2-CB 3.9Å; I852-Q855 VanDerWaalsContact CG2-CD 3.44Å; I852-Q855 HydrophobicContact CG2-CG 3.85Å; I852-Q855 PolarHBondContact O-N 3.23Å; I852-Q855 VanDerWaalsContact O-N 3.1Å; I852-I857 HydrophobicContact CG1-CD1 4.21Å; I852-I857 HydrophobicContact CG1-CG2 4.25Å
853	R	97.4	Very high	92.8	Very high	56 Å²	56	40.4 Å²	40.4	21%	0.211	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	130.4	179	-177.8	171.3	60.9	-121.5	0.9	111.1	G837 Q855 N874 S918 L919 K920 D921	G837-R853 PolarHBondContact O-N 3.46Å; R853-Q855 VanDerWaalsContact C-N 3.26Å; R853-Q855 PolarHBondContact O-N 3.03Å; R853-N874 WeakPolarHBondContact CA-OD1 3.47Å; R853-S918 WeakPolarHBondContact CD-O 3.39Å; R853-S918 PolarHBondContact NH1-O 2.75Å; R853-S918 VanDerWaalsContact NH1-O 3.1Å; R853-L919 VanDerWaalsContact CD-O 3.23Å; R853-L919 WeakPolarHBondContact CD-O 3.01Å; R853-L919 PolarHBondContact NE-O 2.77Å; R853-L919 PolarHBondContact NH1-O 2.9Å; R853-K920 VanDerWaalsContact NH1-C 3.29Å; R853-K920 VanDerWaalsContact NH1-CA 3.26Å; R853-D921 IonicContact CZ-OD1 3.81Å; R853-D921 IonicContact NH1-OD1 3.16Å; R853-D921 PolarHBondContact NH1-OD1 2.74Å; R853-D921 IonicContact NH2-OD1 3.81Å; R853-D921 PolarHBondContact NH2-OD1 2.86Å; R853-D921 IonicContact NH2-OD2 3.83Å
854	N	96.5	Very high	92.4	Very high	62 Å²	62	46.9 Å²	46.9	33%	0.332	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	25.4	-178.6	-58.8	-32.7	0	0	0	115.2	I852 F865 E867 N874	I852-N854 PolarHBondContact O-N 2.77Å; N854-F865 VanDerWaalsContact O-CD1 3.26Å; N854-F865 WeakPolarHBondContact O-CD1 3.48Å; N854-F865 WeakPolarHBondContact O-CE1 3.38Å; N854-E867 HydrophobicContact CB-CB 3.96Å; N854-E867 WeakPolarHBondContact OD1-CG 3.44Å; N854-N874 PolarHBondContact N-OD1 3.3Å; N854-N874 PolarHBondContact OD1-ND2 2.97Å
855	Q	94.6	Very high	92.1	Very high	103 Å²	103	48.7 Å²	48.7	48%	0.481	25%	0.251	S	S	.	.			trans	-135.4	161.3	177.7	-60.8	-176.1	24.7	0	0	112.4	I852 R853 I857	I852-Q855 HydrophobicContact CB-CB 4.05Å; I852-Q855 HydrophobicContact CG2-CB 3.9Å; I852-Q855 VanDerWaalsContact CG2-CD 3.44Å; I852-Q855 HydrophobicContact CG2-CG 3.85Å; I852-Q855 PolarHBondContact O-N 3.23Å; I852-Q855 VanDerWaalsContact O-N 3.1Å; R853-Q855 VanDerWaalsContact C-N 3.26Å; R853-Q855 PolarHBondContact O-N 3.03Å; Q855-I857 HydrophobicContact CB-CG2 4.39Å
856	R	93.4	Very high	91.9	Very high	22 Å²	22	54.4 Å²	54.4	8%	0.083	28%	0.282	C	S	.	.			trans	-133.3	75.8	176.9	-62.1	-65.1	-177.2	-85.9	-4.3	109.6	P382 D858 W859 F865 E867 G873 Y876	P382-R856 VanDerWaalsContact CG-NH2 3.35Å; R856-D858 PolarHBondContact O-N 3.35Å; R856-W859 HydrophobicContact CB-CD2 3.64Å; R856-W859 HydrophobicContact CB-CE3 4.15Å; R856-W859 HydrophobicContact CB-CG 3.87Å; R856-W859 HydrophobicContact CB-CZ2 4.15Å; R856-W859 HydrophobicContact CG-CD2 4.14Å; R856-W859 HydrophobicContact CG-CH2 4.13Å; R856-W859 HydrophobicContact CG-CZ2 3.68Å; R856-F865 HydrophobicContact CB-CD2 4.24Å; R856-F865 HydrophobicContact CB-CE2 4.47Å; R856-F865 HydrophobicContact CB-CG 4.44Å; R856-F865 HydrophobicContact CG-CD1 4.28Å; R856-F865 HydrophobicContact CG-CD2 3.63Å; R856-F865 HydrophobicContact CG-CE1 4.07Å; R856-F865 HydrophobicContact CG-CE2 3.4Å; R856-F865 VanDerWaalsContact CG-CE2 3.4Å; R856-F865 HydrophobicContact CG-CG 4.08Å; R856-F865 HydrophobicContact CG-CZ 3.65Å; R856-E867 IonicContact NH2-OE2 3.77Å; R856-E867 PolarHBondContact NH2-OE2 3.49Å; R856-G873 PolarHBondContact NH1-O 2.89Å; R856-G873 PolarHBondContact NH2-O 3.49Å; R856-Y876 PolarHBondContact NH1-OH 3.15Å
857	I	88.1	Confident	91.9	Very high	86 Å²	86	55.3 Å²	55.3	44%	0.441	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-16	-171.9	60	172	0	0	0	113.7	K850 I852 Q855	K850-I857 HydrophobicContact CD-CD1 4.34Å; K850-I857 HydrophobicContact CG-CD1 4.37Å; I852-I857 HydrophobicContact CG1-CD1 4.21Å; I852-I857 HydrophobicContact CG1-CG2 4.25Å; Q855-I857 HydrophobicContact CB-CG2 4.39Å
858	D	86.8	Confident	91.8	Very high	25 Å²	25	57.4 Å²	57.4	13%	0.134	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-11.8	-173.3	57.5	-25.3	0	0	0	114	D379 R856 N860	D379-D858 PolarHBondContact N-OD2 3.21Å; D379-D858 VanDerWaalsContact O-OD2 3.12Å; R856-D858 PolarHBondContact O-N 3.35Å; D858-N860 VanDerWaalsContact C-N 3.28Å; D858-N860 PolarHBondContact O-N 3.15Å
859	W	90.3	Very high	91.8	Very high	11 Å²	11	57.7 Å²	57.7	4%	0.042	30%	0.302	C	S	.	.	S	Bend	trans	-64.5	-33.1	179.5	-72.2	8.4	0	0	0	112.4	D221 R223 E224 R228 R856 L861 I863 F865	D221-W859 HydrophobicContact CB-CH2 4.01Å; D221-W859 HydrophobicContact CB-CZ2 3.59Å; D221-W859 WeakPolarHBondContact OD1-CH2 3.17Å; R223-W859 HydrophobicContact CB-CH2 4.04Å; R223-W859 HydrophobicContact CB-CZ3 4.1Å; E224-W859 HydrophobicContact CB-CD2 4Å; E224-W859 HydrophobicContact CB-CE3 4.08Å; E224-W859 HydrophobicContact CB-CH2 4.11Å; E224-W859 HydrophobicContact CB-CZ2 4.02Å; E224-W859 HydrophobicContact CB-CZ3 4.13Å; E224-W859 HydrophobicContact CG-CD2 4.02Å; E224-W859 HydrophobicContact CG-CE3 4.35Å; E224-W859 HydrophobicContact CG-CG 4.19Å; R228-W859 PolarHBondContact NH2-O 3.04Å; R856-W859 HydrophobicContact CB-CD2 3.64Å; R856-W859 HydrophobicContact CB-CE3 4.15Å; R856-W859 HydrophobicContact CB-CG 3.87Å; R856-W859 HydrophobicContact CB-CZ2 4.15Å; R856-W859 HydrophobicContact CG-CD2 4.14Å; R856-W859 HydrophobicContact CG-CH2 4.13Å; R856-W859 HydrophobicContact CG-CZ2 3.68Å; W859-L861 HydrophobicContact CB-CG 4.45Å; W859-L861 WeakPolarHBondContact O-CG 3.22Å; W859-L861 PolarHBondContact O-N 2.8Å; W859-I863 HydrophobicContact CE3-CG2 4.06Å; W859-I863 HydrophobicContact CZ3-CG2 4.44Å; W859-F865 AromaticContact CH2-CD2 3.87Å; W859-F865 HydrophobicContact CH2-CD2 3.87Å; W859-F865 AromaticContact CH2-CE2 3.84Å; W859-F865 HydrophobicContact CH2-CE2 3.84Å; W859-F865 HydrophobicContact CZ2-CE2 4.41Å; W859-F865 AromaticContact CZ3-CD2 3.82Å; W859-F865 HydrophobicContact CZ3-CD2 3.82Å; W859-F865 HydrophobicContact CZ3-CE2 4.28Å
860	N	84.7	Confident	91.8	Very high	103 Å²	103	61.9 Å²	61.9	55%	0.551	32%	0.324	S	S	*	.			trans	50.5	38.6	-175.2	-66.4	-18.8	0	0	0	113.1	D858	D858-N860 VanDerWaalsContact C-N 3.28Å; D858-N860 PolarHBondContact O-N 3.15Å
861	L	90.3	Very high	91.9	Very high	24 Å²	24	58.6 Å²	58.6	13%	0.126	31%	0.312	C	S	.	.	S	Bend	trans	-115.1	150	-179.6	-68.5	177.5	0	0	0	111.4	E224 I227 R228 L231 W859 I863	E224-L861 HydrophobicContact CG-CD1 3.6Å; I227-L861 HydrophobicContact CB-CD1 4.14Å; I227-L861 HydrophobicContact CG2-CB 4.39Å; I227-L861 HydrophobicContact CG2-CD1 4.01Å; I227-L861 HydrophobicContact CG2-CD2 4.24Å; I227-L861 HydrophobicContact CG2-CG 4.45Å; R228-L861 HydrophobicContact CG-CD1 4.12Å; L231-L861 HydrophobicContact CD1-CD2 4.06Å; W859-L861 HydrophobicContact CB-CG 4.45Å; W859-L861 WeakPolarHBondContact O-CG 3.22Å; W859-L861 PolarHBondContact O-N 2.8Å; L861-I863 HydrophobicContact CB-CG2 4.09Å; L861-I863 PolarHBondContact O-N 3Å
862	P	87.3	Confident	91.9	Very high	116 Å²	116	58.2 Å²	58.2	75%	0.753	31%	0.311	S	S	*	.	S	Bend	trans	-77.6	63.9	176.9	34.2	-36.6	0	0	0	111.1	L231	L231-P862 HydrophobicContact CD1-CG 4.4Å
863	I	87.4	Confident	91.9	Very high	58 Å²	58	57.1 Å²	57.1	30%	0.297	31%	0.305	S	S	.	.			trans	-127.1	135.2	178.7	-173.7	171.8	0	0	0	110.5	R223 I227 W859 L861 F865	R223-I863 HydrophobicContact CB-CD1 4.38Å; I227-I863 HydrophobicContact CG1-CD1 4.03Å; W859-I863 HydrophobicContact CE3-CG2 4.06Å; W859-I863 HydrophobicContact CZ3-CG2 4.44Å; L861-I863 HydrophobicContact CB-CG2 4.09Å; L861-I863 PolarHBondContact O-N 3Å; I863-F865 PolarHBondContact O-N 3.41Å
864	T	87.3	Confident	91.9	Very high	138 Å²	138	54.5 Å²	54.5	85%	0.847	30%	0.295	S	S	*	.			trans	-78.8	101.6	165	-52.8	0	0	0	0	108.3
865	F	89.8	Confident	92	Very high	39 Å²	39	51.5 Å²	51.5	17%	0.171	28%	0.279	C	S	.	.			trans	-70.7	129.5	176	-177.9	-97	0	0	0	110.3	R223 N854 R856 W859 I863 E867	R223-F865 VanDerWaalsContact CZ-CE2 3.44Å; N854-F865 VanDerWaalsContact O-CD1 3.26Å; N854-F865 WeakPolarHBondContact O-CD1 3.48Å; N854-F865 WeakPolarHBondContact O-CE1 3.38Å; R856-F865 HydrophobicContact CB-CD2 4.24Å; R856-F865 HydrophobicContact CB-CE2 4.47Å; R856-F865 HydrophobicContact CB-CG 4.44Å; R856-F865 HydrophobicContact CG-CD1 4.28Å; R856-F865 HydrophobicContact CG-CD2 3.63Å; R856-F865 HydrophobicContact CG-CE1 4.07Å; R856-F865 HydrophobicContact CG-CE2 3.4Å; R856-F865 VanDerWaalsContact CG-CE2 3.4Å; R856-F865 HydrophobicContact CG-CG 4.08Å; R856-F865 HydrophobicContact CG-CZ 3.65Å; W859-F865 AromaticContact CH2-CD2 3.87Å; W859-F865 HydrophobicContact CH2-CD2 3.87Å; W859-F865 AromaticContact CH2-CE2 3.84Å; W859-F865 HydrophobicContact CH2-CE2 3.84Å; W859-F865 HydrophobicContact CZ2-CE2 4.41Å; W859-F865 AromaticContact CZ3-CD2 3.82Å; W859-F865 HydrophobicContact CZ3-CD2 3.82Å; W859-F865 HydrophobicContact CZ3-CE2 4.28Å; I863-F865 PolarHBondContact O-N 3.41Å; F865-E867 HydrophobicContact CE1-CB 3.84Å; F865-E867 HydrophobicContact CZ-CB 4.3Å; F865-E867 WeakPolarHBondContact CZ-OE2 3.43Å
866	N	92	Very high	92.2	Very high	120 Å²	120	46.9 Å²	46.9	64%	0.642	26%	0.257	S	S	*	.			trans	-127.2	120.8	172.7	-174.5	27.3	0	0	0	108.6	R223	R223-N866 PolarHBondContact NH1-O 3Å
867	E	94	Very high	92.5	Very high	19 Å²	19	46 Å²	46	9%	0.089	26%	0.255	C	S	.	.			trans	-89.4	118.7	177.4	-174.9	53.2	-92.8	0	0	110.1	Y390 N854 R856 F865 E869	Y390-E867 PolarHBondContact OH-OE1 3.46Å; Y390-E867 PolarHBondContact OH-OE2 3.36Å; N854-E867 HydrophobicContact CB-CB 3.96Å; N854-E867 WeakPolarHBondContact OD1-CG 3.44Å; R856-E867 IonicContact NH2-OE2 3.77Å; R856-E867 PolarHBondContact NH2-OE2 3.49Å; F865-E867 HydrophobicContact CE1-CB 3.84Å; F865-E867 HydrophobicContact CZ-CB 4.3Å; F865-E867 WeakPolarHBondContact CZ-OE2 3.43Å; E867-E869 PolarHBondContact OE1-N 3.14Å
868	T	91	Very high	93	Very high	63 Å²	63	41.9 Å²	41.9	39%	0.387	23%	0.234	S	C	.	.	S	Bend	trans	-94.1	-27.7	176.8	52.3	0	0	0	0	112.1	L387	L387-T868 HydrophobicContact CD1-CG2 4.03Å; L387-T868 WeakPolarHBondContact CD1-OG1 3.24Å
869	E	94.6	Very high	93.5	Very high	34 Å²	34	40.9 Å²	40.9	16%	0.159	23%	0.228	C	C	.	.			trans	-108.2	76.1	177	-62	-59.4	160.1	0	0	109.4	H388 Y390 L754 E867 V871 G873	H388-E869 IonicContact CE1-OE1 2.82Å; H388-E869 PolarHBondContact CE1-OE1 2.71Å; H388-E869 IonicContact CG-OE1 3.03Å; H388-E869 IonicContact ND1-OE1 2.83Å; H388-E869 PolarHBondContact ND1-OE1 3.49Å; Y390-E869 HydrophobicContact CD2-CB 3.79Å; Y390-E869 HydrophobicContact CD2-CG 3.92Å; Y390-E869 HydrophobicContact CE2-CB 3.47Å; Y390-E869 VanDerWaalsContact CE2-CB 3.47Å; Y390-E869 HydrophobicContact CE2-CG 3.64Å; L754-E869 HydrophobicContact CD1-CG 4.21Å; L754-E869 WeakPolarHBondContact CD1-OE2 3.44Å; E867-E869 PolarHBondContact OE1-N 3.14Å; E869-V871 PolarHBondContact O-N 2.91Å; E869-G873 WeakPolarHBondContact O-CA 3.42Å; E869-G873 PolarHBondContact O-N 2.68Å
870	N	93.2	Very high	93.9	Very high	98 Å²	98	40.4 Å²	40.4	52%	0.524	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.7	-173.8	56	9.5	0	0	0	115	N874	N870-N874 PolarHBondContact O-ND2 3.13Å
871	V	96.8	Very high	94.5	Very high	23 Å²	23	35.6 Å²	35.6	14%	0.139	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-70.3	170.2	-178.5	0	0	0	0	109.6	Y738 F753 P755 E869 G873 N874 Y875 L919	Y738-V871 HydrophobicContact CE1-CG1 4.09Å; Y738-V871 HydrophobicContact CE1-CG2 4.4Å; Y738-V871 HydrophobicContact CE2-CG1 4.26Å; F753-V871 HydrophobicContact CE1-CG1 3.8Å; F753-V871 HydrophobicContact CZ-CG1 3.81Å; P755-V871 HydrophobicContact CG-CB 4.03Å; P755-V871 HydrophobicContact CG-CG1 3.89Å; E869-V871 PolarHBondContact O-N 2.91Å; V871-G873 VanDerWaalsContact C-N 3.29Å; V871-G873 PolarHBondContact O-N 3.36Å; V871-N874 PolarHBondContact O-N 3.16Å; V871-Y875 HydrophobicContact CG1-CD2 4.44Å; V871-Y875 HydrophobicContact CG1-CE2 4.04Å; V871-Y875 WeakPolarHBondContact O-CD2 3.4Å; V871-L919 HydrophobicContact CG1-CD1 4.24Å; V871-L919 HydrophobicContact CG2-CD1 4.4Å
872	S	97.2	Very high	94.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-58.3	-37.8	-173.5	-54.3	0	0	0	0	113.7	T392 F753 P755 N874 Y875	T392-S872 WeakPolarHBondContact CG2-O 3.42Å; T392-S872 PolarHBondContact OG1-O 2.82Å; F753-S872 WeakPolarHBondContact O-CB 3.42Å; F753-S872 PolarHBondContact O-OG 2.76Å; P755-S872 WeakPolarHBondContact CD-OG 3.29Å; S872-N874 PolarHBondContact O-N 3.45Å; S872-Y875 PolarHBondContact O-N 2.92Å
873	G	97.3	Very high	95.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-73.9	-2.4	178.9	0	0	0	0	0	115.1	R856 E869 V871	R856-G873 PolarHBondContact NH1-O 2.89Å; R856-G873 PolarHBondContact NH2-O 3.49Å; E869-G873 WeakPolarHBondContact O-CA 3.42Å; E869-G873 PolarHBondContact O-N 2.68Å; V871-G873 VanDerWaalsContact C-N 3.29Å; V871-G873 PolarHBondContact O-N 3.36Å
874	N	98	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-113.6	2.9	172.9	-71.6	-62.5	0	0	0	113.6	R853 N854 N870 V871 S872 Y876 T917 L919	R853-N874 WeakPolarHBondContact CA-OD1 3.47Å; N854-N874 PolarHBondContact N-OD1 3.3Å; N854-N874 PolarHBondContact OD1-ND2 2.97Å; N870-N874 PolarHBondContact O-ND2 3.13Å; V871-N874 PolarHBondContact O-N 3.16Å; S872-N874 PolarHBondContact O-N 3.45Å; N874-Y876 WeakPolarHBondContact O-CD2 3.37Å; N874-Y876 VanDerWaalsContact O-CE2 3.26Å; N874-Y876 WeakPolarHBondContact O-CE2 3.41Å; N874-T917 WeakPolarHBondContact CB-OG1 3.3Å; N874-T917 WeakPolarHBondContact O-CB 3.34Å; N874-T917 PolarHBondContact O-OG1 3.02Å; N874-L919 HydrophobicContact CB-CD2 4.04Å
875	Y	98.6	Very high	96.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.			trans	-80.5	132.7	171.1	-93.6	-108.5	0	0	0	110.4	T392 F753 V871 S872 T917 E925 M927	T392-Y875 WeakPolarHBondContact CG2-O 3.5Å; F753-Y875 HydrophobicContact CD1-CD1 4.46Å; F753-Y875 HydrophobicContact CD1-CD2 4.18Å; F753-Y875 HydrophobicContact CD1-CE2 4.46Å; F753-Y875 HydrophobicContact CD1-CG 4.16Å; F753-Y875 HydrophobicContact CE1-CD1 4.36Å; F753-Y875 AromaticContact CE1-CD2 3.66Å; F753-Y875 HydrophobicContact CE1-CD2 3.66Å; F753-Y875 HydrophobicContact CE1-CE1 4.3Å; F753-Y875 AromaticContact CE1-CE2 3.56Å; F753-Y875 HydrophobicContact CE1-CE2 3.56Å; F753-Y875 HydrophobicContact CE1-CG 4.05Å; F753-Y875 AromaticContact CE1-CZ 3.89Å; F753-Y875 HydrophobicContact CZ-CE2 4.34Å; V871-Y875 HydrophobicContact CG1-CD2 4.44Å; V871-Y875 HydrophobicContact CG1-CE2 4.04Å; V871-Y875 WeakPolarHBondContact O-CD2 3.4Å; S872-Y875 PolarHBondContact O-N 2.92Å; Y875-T917 HydrophobicContact CD2-CG2 3.73Å; Y875-T917 HydrophobicContact CE1-CG2 4.5Å; Y875-T917 HydrophobicContact CE2-CG2 3.38Å; Y875-T917 HydrophobicContact CG-CG2 4.44Å; Y875-E925 WeakPolarHBondContact OH-CG 3.41Å; Y875-E925 PolarHBondContact OH-OE1 2.66Å; Y875-M927 HydrophobicContact CE1-CB 3.87Å; Y875-M927 HydrophobicContact CE1-CE 4Å
876	Y	98.7	Very high	96.5	Very high	5 Å²	5	21.3 Å²	21.3	2%	0.02	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	157.7	178.9	-65.1	-89.8	0	0	0	110.2	F381 F839 R851 R856 N874 V878 G916	F381-Y876 HydrophobicContact CB-CD1 4.35Å; F381-Y876 WeakPolarHBondContact O-CE1 3.11Å; F839-Y876 HydrophobicContact CE1-CE2 4.48Å; F839-Y876 AromaticContact CE2-CD2 3.82Å; F839-Y876 HydrophobicContact CE2-CD2 3.82Å; F839-Y876 HydrophobicContact CE2-CE2 4.24Å; F839-Y876 AromaticContact CZ-CD2 3.62Å; F839-Y876 HydrophobicContact CZ-CD2 3.62Å; F839-Y876 AromaticContact CZ-CE2 3.59Å; F839-Y876 HydrophobicContact CZ-CE2 3.59Å; R851-Y876 HydrophobicContact CB-CD2 4.37Å; R851-Y876 HydrophobicContact CB-CE2 4.03Å; R851-Y876 VanDerWaalsContact CD-CE1 3.46Å; R851-Y876 HydrophobicContact CG-CD1 4.29Å; R851-Y876 HydrophobicContact CG-CD2 3.95Å; R851-Y876 HydrophobicContact CG-CE1 4.29Å; R851-Y876 HydrophobicContact CG-CE2 4.02Å; R851-Y876 HydrophobicContact CG-CG 4.09Å; R856-Y876 PolarHBondContact NH1-OH 3.15Å; N874-Y876 WeakPolarHBondContact O-CD2 3.37Å; N874-Y876 VanDerWaalsContact O-CE2 3.26Å; N874-Y876 WeakPolarHBondContact O-CE2 3.41Å; Y876-V878 PolarHBondContact O-N 3.01Å; Y876-G916 PolarHBondContact N-O 3.31Å; Y876-G916 PolarHBondContact O-N 3.46Å
877	P	98.6	Very high	96.6	Very high	4 Å²	4	15.7 Å²	15.7	3%	0.026	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	136.3	170.8	-23.5	33.9	0	0	0	112.3	A160 F381 Y395 T841 I879	A160-P877 HydrophobicContact CB-CB 4.16Å; A160-P877 HydrophobicContact CB-CG 3.76Å; A160-P877 WeakPolarHBondContact O-CB 3.38Å; F381-P877 HydrophobicContact CB-CG 4.38Å; F381-P877 HydrophobicContact CD1-CG 4.04Å; F381-P877 HydrophobicContact CD2-CG 3.92Å; F381-P877 HydrophobicContact CE1-CG 4.3Å; F381-P877 HydrophobicContact CE2-CG 4.18Å; F381-P877 HydrophobicContact CG-CG 3.85Å; F381-P877 HydrophobicContact CZ-CG 4.38Å; Y395-P877 HydrophobicContact CD1-CG 4.02Å; Y395-P877 HydrophobicContact CD2-CG 4.42Å; Y395-P877 HydrophobicContact CE1-CG 3.63Å; Y395-P877 HydrophobicContact CE2-CG 4.06Å; Y395-P877 HydrophobicContact CG-CG 4.41Å; T841-P877 WeakPolarHBondContact CB-O 3.35Å; P877-I879 HydrophobicContact CB-CD1 3.65Å
878	V	98.8	Very high	96.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	99.6	170.1	177.4	0	0	0	0	106.9	T841 Y876 I882 T910 A913 Q914 L926	T841-V878 HydrophobicContact CG2-CG2 3.96Å; Y876-V878 PolarHBondContact O-N 3.01Å; V878-I882 HydrophobicContact CG1-CB 4.28Å; V878-I882 HydrophobicContact CG1-CG2 4.41Å; V878-I882 HydrophobicContact CG2-CB 4Å; V878-I882 HydrophobicContact CG2-CD1 4.28Å; V878-T910 HydrophobicContact CG1-CG2 4Å; V878-A913 CarbonylContact O-C 3.59Å; V878-A913 VanDerWaalsContact O-CA 3.29Å; V878-A913 WeakPolarHBondContact O-CA 3.21Å; V878-Q914 PolarHBondContact N-O 2.91Å; V878-Q914 PolarHBondContact O-N 2.9Å; V878-L926 HydrophobicContact CB-CD2 4.14Å; V878-L926 HydrophobicContact CG1-CD2 4.07Å; V878-L926 HydrophobicContact CG2-CD2 4.02Å
879	I	98.3	Very high	96.3	Very high	3 Å²	3	13 Å²	13	2%	0.015	7%	0.067	C	C	.	.	S	Bend	trans	-83.9	-39	-174.7	-64.9	50.9	0	0	0	108.7	A160 Y163 D842 P877 R912	A160-I879 WeakPolarHBondContact O-CD1 3.44Å; A160-I879 WeakPolarHBondContact O-CG1 3.33Å; Y163-I879 HydrophobicContact CD2-CG2 4.28Å; D842-I879 VanDerWaalsContact OD1-CB 3.27Å; D842-I879 WeakPolarHBondContact OD1-CB 3.26Å; D842-I879 PolarHBondContact OD1-N 2.8Å; D842-I879 PolarHBondContact OD2-N 3.28Å; P877-I879 HydrophobicContact CB-CD1 3.65Å; I879-R912 CarbonylContact O-C 3.53Å
880	N	97.1	Very high	95.5	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.011	7%	0.072	C	C	.	.	S	Bend	trans	-145.4	-11.4	174.7	68.2	13.1	0	0	0	115.5	D842 G845 Y909 T910 S982	D842-N880 PolarHBondContact OD2-N 3.2Å; D842-N880 PolarHBondContact OD2-OD1 3.27Å; G845-N880 PolarHBondContact O-ND2 3.08Å; N880-Y909 CarbonylContact O-C 3.48Å; N880-Y909 WeakPolarHBondContact O-CA 3.1Å; N880-T910 WeakPolarHBondContact CA-OG1 3.33Å; N880-T910 PolarHBondContact O-N 3.02Å; N880-S982 PolarHBondContact ND2-OG 2.82Å
881	R	98.3	Very high	94.3	Very high	1 Å²	1	11.6 Å²	11.6	0%	0.004	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	148.9	176.9	66.1	-162	-171.3	-79.6	8.1	117.1	D842 G845 R846 L848 I908 Y909 D974	D842-R881 HydrophobicContact CB-CG 3.95Å; D842-R881 PolarHBondContact N-O 3.12Å; D842-R881 VanDerWaalsContact N-O 3.1Å; D842-R881 PolarHBondContact OD2-N 3.01Å; D842-R881 VanDerWaalsContact OD2-O 3.07Å; G845-R881 PolarHBondContact O-NH1 3.17Å; G845-R881 VanDerWaalsContact O-NH1 3.09Å; R846-R881 PolarHBondContact O-NH2 3.36Å; L848-R881 HydrophobicContact CD2-CG 4.04Å; R881-I908 WeakPolarHBondContact CA-O 3.4Å; R881-Y909 HydrophobicContact CB-CD1 3.68Å; R881-Y909 HydrophobicContact CB-CE1 3.92Å; R881-Y909 HydrophobicContact CB-CG 4.36Å; R881-Y909 HydrophobicContact CG-CE1 4.4Å; R881-D974 WeakPolarHBondContact CD-OD1 3.44Å; R881-D974 IonicContact CZ-OD2 2.72Å; R881-D974 VanDerWaalsContact NE-CG 3.31Å; R881-D974 IonicContact NE-OD1 3.09Å; R881-D974 PolarHBondContact NE-OD1 3.25Å; R881-D974 VanDerWaalsContact NE-OD1 3.08Å; R881-D974 IonicContact NE-OD2 3.96Å; R881-D974 PolarHBondContact NE-OD2 3.23Å; R881-D974 IonicContact NH2-OD2 3.53Å; R881-D974 PolarHBondContact NH2-OD2 2.84Å; R881-D974 VanDerWaalsContact NH2-OD2 3.11Å
882	I	98.8	Very high	92.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.7	170.1	-178.7	161.7	0	0	0	109.3	F839 F840 T841 V878 A907 I908 I924 L926	F839-I882 HydrophobicContact CD2-CD1 4.15Å; F839-I882 HydrophobicContact CE2-CD1 4.47Å; F840-I882 CarbonylContact O-C 3.59Å; F840-I882 WeakPolarHBondContact O-CA 3.46Å; F840-I882 WeakPolarHBondContact O-CG1 3.39Å; T841-I882 HydrophobicContact CG2-CD1 4.02Å; T841-I882 HydrophobicContact CG2-CG1 4.16Å; V878-I882 HydrophobicContact CG1-CB 4.28Å; V878-I882 HydrophobicContact CG1-CG2 4.41Å; V878-I882 HydrophobicContact CG2-CB 4Å; V878-I882 HydrophobicContact CG2-CD1 4.28Å; I882-A907 WeakPolarHBondContact O-CA 2.95Å; I882-I908 HydrophobicContact CG2-CB 4.02Å; I882-I908 PolarHBondContact N-O 3.44Å; I882-I908 PolarHBondContact O-N 3.04Å; I882-I924 HydrophobicContact CD1-CG2 4.04Å; I882-I924 HydrophobicContact CG1-CD1 4.41Å; I882-I924 HydrophobicContact CG1-CG1 4.42Å; I882-I924 HydrophobicContact CG1-CG2 4.25Å; I882-I924 HydrophobicContact CG2-CD1 4.31Å; I882-I924 HydrophobicContact CG2-CG2 3.62Å; I882-L926 HydrophobicContact CG2-CD1 4.17Å; I882-L926 HydrophobicContact CG2-CD2 3.99Å; I882-L926 HydrophobicContact CG2-CG 4.28Å
883	M	98.3	Very high	91.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	139.4	-170.5	-172.1	-173.7	-68.9	0	0	112.8	F840 L848 K885 L906 A907 I970 D974	F840-M883 HydrophobicContact CB-CB 4.32Å; F840-M883 PolarHBondContact N-O 2.92Å; F840-M883 PolarHBondContact O-N 3.29Å; L848-M883 HydrophobicContact CD1-CE 3.94Å; L848-M883 HydrophobicContact CD1-SD 3.93Å; M883-K885 HydrophobicContact CG-CG 4.11Å; M883-K885 HydrophobicContact SD-CD 4.22Å; M883-K885 WeakPolarHBondContact SD-CE 3.12Å; M883-K885 HydrophobicContact SD-CG 3.83Å; M883-L906 CarbonylContact C-O 3.57Å; M883-L906 WeakPolarHBondContact CA-O 3.37Å; M883-L906 VanDerWaalsContact CG-O 3.27Å; M883-L906 WeakPolarHBondContact CG-O 3.46Å; M883-A907 HydrophobicContact CB-CB 4.4Å; M883-A907 HydrophobicContact CE-CB 3.77Å; M883-A907 HydrophobicContact CG-CB 4.1Å; M883-I970 HydrophobicContact CE-CG2 3.65Å; M883-I970 HydrophobicContact SD-CG2 3.93Å; M883-D974 HydrophobicContact CE-CB 4.02Å; M883-D974 WeakPolarHBondContact CE-OD1 3.44Å
884	L	97.7	Very high	89.2	Confident	7 Å²	7	26.3 Å²	26.3	4%	0.037	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136.8	161.4	-57.1	-179.3	0	0	0	108.9	F839 I887 G905 L906 I924	F839-L884 HydrophobicContact CB-CD2 3.65Å; L884-I887 HydrophobicContact CB-CD1 3.68Å; L884-I887 HydrophobicContact CB-CG1 4.41Å; L884-I887 HydrophobicContact CD1-CD1 4.26Å; L884-G905 WeakPolarHBondContact O-CA 3.46Å; L884-L906 HydrophobicContact CB-CB 4.35Å; L884-L906 HydrophobicContact CD1-CD2 4.29Å; L884-L906 PolarHBondContact N-O 3.03Å; L884-L906 PolarHBondContact O-N 2.98Å; L884-I924 HydrophobicContact CD1-CD1 4.46Å; L884-I924 HydrophobicContact CD1-CG1 4.12Å; L884-I924 HydrophobicContact CD2-CG1 4.14Å; L884-I924 HydrophobicContact CG-CD1 3.92Å; L884-I924 HydrophobicContact CG-CG1 3.82Å
885	K	95.8	Very high	87	Confident	34 Å²	34	31.2 Å²	31.2	15%	0.148	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	160.1	178.1	-60.6	-171.5	179.2	-166.8	0	110.4	F840 M883 I887 L967 E971	F840-K885 HydrophobicContact CD2-CB 4.29Å; F840-K885 HydrophobicContact CD2-CD 3.82Å; F840-K885 HydrophobicContact CD2-CG 3.71Å; F840-K885 HydrophobicContact CE1-CD 4.33Å; F840-K885 HydrophobicContact CE2-CB 3.83Å; F840-K885 HydrophobicContact CE2-CD 3.56Å; F840-K885 HydrophobicContact CE2-CG 3.65Å; F840-K885 HydrophobicContact CG-CD 4.36Å; F840-K885 HydrophobicContact CZ-CD 3.84Å; F840-K885 HydrophobicContact CZ-CG 4.42Å; M883-K885 HydrophobicContact CG-CG 4.11Å; M883-K885 HydrophobicContact SD-CD 4.22Å; M883-K885 WeakPolarHBondContact SD-CE 3.12Å; M883-K885 HydrophobicContact SD-CG 3.83Å; K885-I887 VanDerWaalsContact C-N 3.32Å; K885-I887 PolarHBondContact O-N 2.9Å; K885-L967 HydrophobicContact CB-CD1 3.83Å; K885-L967 HydrophobicContact CB-CD2 4.48Å; K885-L967 HydrophobicContact CD-CD1 4.18Å; K885-L967 HydrophobicContact CG-CD1 3.84Å; K885-E971 WeakPolarHBondContact CD-OE1 3.2Å; K885-E971 WeakPolarHBondContact CE-OE1 3.33Å; K885-E971 IonicContact NZ-OE1 3.43Å; K885-E971 PolarHBondContact NZ-OE1 3.29Å
886	N	94.1	Very high	84.6	Confident	34 Å²	34	40.5 Å²	40.5	18%	0.182	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56	42.7	175	-59	-64	0	0	0	113.7	K834 L888 I904 L967	K834-N886 HydrophobicContact CB-CB 3.71Å; K834-N886 WeakPolarHBondContact CB-O 3.42Å; K834-N886 HydrophobicContact CD-CB 4.02Å; K834-N886 HydrophobicContact CG-CB 4.47Å; K834-N886 PolarHBondContact N-O 3.41Å; N886-L888 PolarHBondContact O-N 2.83Å; N886-I904 PolarHBondContact N-O 3.36Å; N886-L967 WeakPolarHBondContact OD1-CD2 3.46Å
887	I	93.3	Very high	82.2	Confident	2 Å²	2	46 Å²	46	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	113.7	165.3	-61.3	149.7	0	0	0	106.5	M729 L826 M831 L884 K885 I904 L906	M729-I887 HydrophobicContact CE-CG2 3.75Å; M729-I887 HydrophobicContact SD-CG2 3.67Å; L826-I887 HydrophobicContact CD1-CD1 3.31Å; L826-I887 HydrophobicContact CD1-CG1 4.18Å; L826-I887 HydrophobicContact CD1-CG2 4.29Å; M831-I887 HydrophobicContact CG-CG2 3.61Å; M831-I887 HydrophobicContact SD-CG2 3.83Å; L884-I887 HydrophobicContact CB-CD1 3.68Å; L884-I887 HydrophobicContact CB-CG1 4.41Å; L884-I887 HydrophobicContact CD1-CD1 4.26Å; K885-I887 VanDerWaalsContact C-N 3.32Å; K885-I887 PolarHBondContact O-N 2.9Å; I887-I904 HydrophobicContact CB-CB 4.48Å; I887-I904 PolarHBondContact N-O 3.15Å; I887-I904 WeakPolarHBondContact O-CB 3.48Å; I887-I904 PolarHBondContact O-N 2.88Å; I887-L906 HydrophobicContact CD1-CB 4.17Å
888	L	91.1	Very high	80	Confident	23 Å²	23	54.3 Å²	54.3	12%	0.12	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	117.2	-171.5	-56.4	177.7	0	0	0	109.3	L832 K834 N886 E901 P903	L832-L888 HydrophobicContact CB-CB 4.05Å; L832-L888 HydrophobicContact CB-CD1 4.42Å; L832-L888 PolarHBondContact N-O 2.84Å; L832-L888 WeakPolarHBondContact O-CB 3.36Å; L832-L888 PolarHBondContact O-N 3.32Å; K834-L888 HydrophobicContact CB-CD1 3.96Å; K834-L888 HydrophobicContact CB-CG 4.25Å; K834-L888 HydrophobicContact CG-CD1 4.34Å; N886-L888 PolarHBondContact O-N 2.83Å; L888-E901 HydrophobicContact CB-CB 4.03Å; L888-E901 HydrophobicContact CB-CG 4.32Å; L888-E901 WeakPolarHBondContact CD1-OE2 3.49Å; L888-E901 HydrophobicContact CD2-CB 4.48Å; L888-P903 HydrophobicContact CD2-CB 4.26Å
889	L	87.4	Confident	78.1	Confident	3 Å²	3	62 Å²	62	2%	0.016	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120	176.7	-176.8	61.5	0	0	0	110.4	H722 M729 I902 I904	H722-L889 HydrophobicContact CB-CD2 3.71Å; M729-L889 HydrophobicContact CE-CB 3.92Å; M729-L889 HydrophobicContact CE-CD1 3.89Å; M729-L889 HydrophobicContact CE-CG 4.32Å; M729-L889 HydrophobicContact CG-CD1 4Å; L889-I902 HydrophobicContact CB-CB 4.48Å; L889-I902 PolarHBondContact N-O 2.75Å; L889-I902 PolarHBondContact O-N 3.29Å; L889-I902 VanDerWaalsContact O-N 3.09Å; L889-I904 HydrophobicContact CB-CG1 3.91Å; L889-I904 HydrophobicContact CD2-CG1 4.48Å
890	S	77.5	Confident	76.8	Confident	37 Å²	37	63.9 Å²	63.9	26%	0.259	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-72.3	139.2	174.8	-61.9	0	0	0	0	111.7	N830 P892	N830-S890 PolarHBondContact O-OG 2.93Å; S890-P892 WeakPolarHBondContact O-CD 3.27Å
891	K	69.8	Low	76	Confident	65 Å²	65	67.6 Å²	67.6	28%	0.283	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-76.9	120.2	171.2	-66.2	175	178.7	171.9	0	109.8	N893 E894 N900	K891-N893 PolarHBondContact O-N 2.79Å; K891-N893 VanDerWaalsContact O-N 3.15Å; K891-E894 WeakPolarHBondContact CD-OE2 3.36Å; K891-E894 IonicContact NZ-OE2 2.68Å; K891-E894 PolarHBondContact NZ-OE2 2.82Å; K891-N900 HydrophobicContact CD-CB 4.34Å; K891-N900 WeakPolarHBondContact CE-O 3.45Å; K891-N900 WeakPolarHBondContact CG-O 3.44Å; K891-N900 PolarHBondContact NZ-OD1 2.93Å
892	P	64.6	Low	75.5	Confident	64 Å²	64	68.6 Å²	68.6	42%	0.416	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	118.6	169.8	25.2	-29.4	0	0	0	108	S725 G727 S890	S725-P892 WeakPolarHBondContact O-CD 3.5Å; G727-P892 VanDerWaalsContact CA-CD 3.49Å; S890-P892 WeakPolarHBondContact O-CD 3.27Å
893	N	61.1	Low	75.2	Confident	164 Å²	164	71.2 Å²	71.2	88%	0.877	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.9	4.5	173.1	-45.6	-29.7	0	0	0	118.9	K891	K891-N893 PolarHBondContact O-N 2.79Å; K891-N893 VanDerWaalsContact O-N 3.15Å
894	E	57.1	Low	75	Confident	105 Å²	105	71.2 Å²	71.2	49%	0.491	37%	0.374	S	S	.	.			trans	-108.9	107.5	168.1	-76.5	179.7	179.7	0	0	110.3	K891 Q896 N900	K891-E894 WeakPolarHBondContact CD-OE2 3.36Å; K891-E894 IonicContact NZ-OE2 2.68Å; K891-E894 PolarHBondContact NZ-OE2 2.82Å; E894-Q896 PolarHBondContact O-N 2.83Å; E894-N900 WeakPolarHBondContact CB-ND2 3.2Å; E894-N900 PolarHBondContact OE2-ND2 3.39Å; E894-N900 PolarHBondContact OE2-OD1 2.83Å
895	S	51.8	Low	74.8	Confident	102 Å²	102	70.9 Å²	70.9	71%	0.713	37%	0.372	S	S	*	.			trans	-64	114.4	-179.3	53.3	0	0	0	0	112.1	I897	S895-I897 VanDerWaalsContact C-N 3.3Å; S895-I897 PolarHBondContact O-N 3.05Å
896	Q	48.8	Very low	74.9	Confident	196 Å²	196	69.3 Å²	69.3	92%	0.916	37%	0.365	S	S	*	.	S	Bend	trans	38	46.9	149.9	-63.3	-77.8	-14.1	0	0	116.3	E894	E894-Q896 PolarHBondContact O-N 2.83Å
897	I	49	Very low	75.1	Confident	120 Å²	120	67.7 Å²	67.7	62%	0.615	36%	0.357	S	S	*	.			trans	-97.1	119	161	-57.7	177.4	0	0	0	106	S895 N899 N900	S895-I897 VanDerWaalsContact C-N 3.3Å; S895-I897 PolarHBondContact O-N 3.05Å; I897-N899 PolarHBondContact O-N 3.08Å; I897-N900 PolarHBondContact O-N 2.85Å
898	E	51.8	Low	75.3	Confident	179 Å²	179	67.6 Å²	67.6	84%	0.836	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	124	170.9	-68.3	179.6	161.6	0	0	108.7
899	N	58.6	Low	75.7	Confident	161 Å²	161	66.6 Å²	66.6	86%	0.861	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	100	16.1	-177.5	-51.7	-45.6	0	0	0	118.7	I897	I897-N899 PolarHBondContact O-N 3.08Å
900	N	70.5	Confident	76.2	Confident	43 Å²	43	66.5 Å²	66.5	23%	0.23	35%	0.35	C	S	.	.			trans	-94.2	5	175.7	-102	-16.5	0	0	0	116.1	K891 E894 I897	K891-N900 HydrophobicContact CD-CB 4.34Å; K891-N900 WeakPolarHBondContact CE-O 3.45Å; K891-N900 WeakPolarHBondContact CG-O 3.44Å; K891-N900 PolarHBondContact NZ-OD1 2.93Å; E894-N900 WeakPolarHBondContact CB-ND2 3.2Å; E894-N900 PolarHBondContact OE2-ND2 3.39Å; E894-N900 PolarHBondContact OE2-OD1 2.83Å; I897-N900 PolarHBondContact O-N 2.85Å
901	E	81.7	Confident	77.2	Confident	79 Å²	79	65.5 Å²	65.5	37%	0.369	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-86.2	138.7	-177.3	-67.5	170	164.1	0	0	112.3	L832 L888	L832-E901 WeakPolarHBondContact CD1-OE1 3.29Å; L888-E901 HydrophobicContact CB-CB 4.03Å; L888-E901 HydrophobicContact CB-CG 4.32Å; L888-E901 WeakPolarHBondContact CD1-OE2 3.49Å; L888-E901 HydrophobicContact CD2-CB 4.48Å
902	I	87.3	Confident	78.5	Confident	23 Å²	23	62.5 Å²	62.5	12%	0.118	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.2	178	-56.9	170.7	0	0	0	108	H722 L889 I904 E966	H722-I902 WeakPolarHBondContact CE1-CD1 3.41Å; H722-I902 WeakPolarHBondContact ND1-CD1 3.39Å; L889-I902 HydrophobicContact CB-CB 4.48Å; L889-I902 PolarHBondContact N-O 2.75Å; L889-I902 PolarHBondContact O-N 3.29Å; L889-I902 VanDerWaalsContact O-N 3.09Å; I902-I904 HydrophobicContact CG2-CD1 3.81Å; I902-I904 PolarHBondContact O-N 3.4Å; I902-E966 HydrophobicContact CG2-CG 3.83Å
903	P	92.2	Very high	80.1	Confident	55 Å²	55	59.6 Å²	59.6	36%	0.357	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	121.6	174.5	29.1	-32.6	0	0	0	110	L888 L967	L888-P903 HydrophobicContact CD2-CB 4.26Å; P903-L967 HydrophobicContact CB-CB 4.12Å; P903-L967 HydrophobicContact CB-CD2 4.3Å; P903-L967 WeakPolarHBondContact O-CB 3.49Å; P903-L967 PolarHBondContact O-N 2.65Å
904	I	93.1	Very high	81.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	149.1	178.6	-56.9	-61.3	0	0	0	109.7	M729 N886 I887 L889 I902 F964 D965 E966	M729-I904 HydrophobicContact CE-CB 4.1Å; M729-I904 HydrophobicContact CE-CG1 3.91Å; M729-I904 HydrophobicContact CE-CG2 4.19Å; N886-I904 PolarHBondContact N-O 3.36Å; I887-I904 HydrophobicContact CB-CB 4.48Å; I887-I904 PolarHBondContact N-O 3.15Å; I887-I904 WeakPolarHBondContact O-CB 3.48Å; I887-I904 PolarHBondContact O-N 2.88Å; L889-I904 HydrophobicContact CB-CG1 3.91Å; L889-I904 HydrophobicContact CD2-CG1 4.48Å; I902-I904 HydrophobicContact CG2-CD1 3.81Å; I902-I904 PolarHBondContact O-N 3.4Å; I904-F964 HydrophobicContact CG2-CD1 3.99Å; I904-F964 HydrophobicContact CG2-CD2 3.84Å; I904-F964 HydrophobicContact CG2-CE1 3.66Å; I904-F964 HydrophobicContact CG2-CE2 3.48Å; I904-F964 VanDerWaalsContact CG2-CE2 3.48Å; I904-F964 HydrophobicContact CG2-CG 4.13Å; I904-F964 HydrophobicContact CG2-CZ 3.44Å; I904-F964 VanDerWaalsContact CG2-CZ 3.44Å; I904-D965 WeakPolarHBondContact CA-O 3.24Å; I904-D965 VanDerWaalsContact CG2-O 3.31Å; I904-D965 WeakPolarHBondContact CG2-O 3.47Å; I904-E966 HydrophobicContact CD1-CG 4.33Å
905	G	95.2	Very high	83.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	144.3	168.6	0	0	0	0	0	111.8	L884 F964 D965	L884-G905 WeakPolarHBondContact O-CA 3.46Å; G905-F964 WeakPolarHBondContact O-CA 3.3Å; G905-D965 PolarHBondContact N-O 2.81Å; G905-D965 PolarHBondContact O-N 2.65Å
906	L	96.9	Very high	86.1	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.2	167.6	172.9	65.7	0	0	0	108	L731 L826 M883 L884 I887 I924 I962 R963 F964	L731-L906 HydrophobicContact CD1-CD2 4.4Å; L826-L906 HydrophobicContact CD1-CB 4.43Å; L826-L906 HydrophobicContact CD1-CD2 4.05Å; L826-L906 HydrophobicContact CD2-CD2 4.3Å; L826-L906 HydrophobicContact CG-CD2 4.08Å; M883-L906 CarbonylContact C-O 3.57Å; M883-L906 WeakPolarHBondContact CA-O 3.37Å; M883-L906 VanDerWaalsContact CG-O 3.27Å; M883-L906 WeakPolarHBondContact CG-O 3.46Å; L884-L906 HydrophobicContact CB-CB 4.35Å; L884-L906 HydrophobicContact CD1-CD2 4.29Å; L884-L906 PolarHBondContact N-O 3.03Å; L884-L906 PolarHBondContact O-N 2.98Å; I887-L906 HydrophobicContact CD1-CB 4.17Å; L906-I924 HydrophobicContact CD2-CD1 4.02Å; L906-I924 HydrophobicContact CG-CD1 4.19Å; L906-I962 HydrophobicContact CD1-CG2 3.82Å; L906-R963 CarbonylContact C-O 3.58Å; L906-R963 WeakPolarHBondContact CA-O 3.49Å; L906-F964 HydrophobicContact CB-CD2 4.06Å; L906-F964 HydrophobicContact CD1-CB 4.3Å; L906-F964 HydrophobicContact CD1-CD2 4.09Å
907	A	98	Very high	88.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.1	175.9	0	0	0	0	0	110.4	I882 M883 Y909 R963 I970	I882-A907 WeakPolarHBondContact O-CA 2.95Å; M883-A907 HydrophobicContact CB-CB 4.4Å; M883-A907 HydrophobicContact CE-CB 3.77Å; M883-A907 HydrophobicContact CG-CB 4.1Å; A907-Y909 HydrophobicContact CB-CE2 3.77Å; A907-R963 HydrophobicContact CB-CB 4.32Å; A907-R963 PolarHBondContact N-O 2.83Å; A907-R963 PolarHBondContact O-N 2.8Å; A907-I970 HydrophobicContact CB-CG2 4.24Å
908	I	98.7	Very high	90.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.8	175.8	-51.6	-170.2	0	0	0	107.3	Y824 R881 I882 I924 L926 H960	Y824-I908 HydrophobicContact CD1-CD1 4.01Å; Y824-I908 HydrophobicContact CD2-CD1 3.1Å; Y824-I908 HydrophobicContact CE1-CD1 4.41Å; Y824-I908 HydrophobicContact CE2-CD1 3.53Å; Y824-I908 HydrophobicContact CE2-CG2 4.23Å; Y824-I908 HydrophobicContact CG-CD1 3.33Å; R881-I908 WeakPolarHBondContact CA-O 3.4Å; I882-I908 HydrophobicContact CG2-CB 4.02Å; I882-I908 PolarHBondContact N-O 3.44Å; I882-I908 PolarHBondContact O-N 3.04Å; I908-I924 HydrophobicContact CD1-CB 3.94Å; I908-I924 HydrophobicContact CD1-CD1 3.84Å; I908-I924 HydrophobicContact CD1-CG2 3.74Å; I908-I924 HydrophobicContact CG1-CD1 3.87Å; I908-L926 HydrophobicContact CB-CD1 4.48Å; I908-L926 HydrophobicContact CG2-CD1 3.8Å; I908-H960 HydrophobicContact CG2-CB 3.86Å
909	Y	98.6	Very high	93	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.008	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.5	179.7	-61.4	-90.2	0	0	0	110.1	N880 R881 A907 H960 K961 R963 D974 T977 I981	N880-Y909 CarbonylContact O-C 3.48Å; N880-Y909 WeakPolarHBondContact O-CA 3.1Å; R881-Y909 HydrophobicContact CB-CD1 3.68Å; R881-Y909 HydrophobicContact CB-CE1 3.92Å; R881-Y909 HydrophobicContact CB-CG 4.36Å; R881-Y909 HydrophobicContact CG-CE1 4.4Å; A907-Y909 HydrophobicContact CB-CE2 3.77Å; Y909-H960 CarbonylContact O-C 3.33Å; Y909-H960 VanDerWaalsContact O-CA 3.24Å; Y909-H960 WeakPolarHBondContact O-CA 3.45Å; Y909-K961 PolarHBondContact N-O 2.53Å; Y909-K961 PolarHBondContact O-N 3.06Å; Y909-R963 HydrophobicContact CD2-CG 4.28Å; Y909-R963 HydrophobicContact CE2-CB 4.03Å; Y909-R963 HydrophobicContact CE2-CG 3.82Å; Y909-D974 WeakPolarHBondContact OH-CA 3.45Å; Y909-D974 PolarHBondContact OH-OD1 3Å; Y909-T977 HydrophobicContact CD1-CG2 4.31Å; Y909-T977 HydrophobicContact CD2-CG2 3.9Å; Y909-T977 HydrophobicContact CE1-CG2 4.02Å; Y909-T977 HydrophobicContact CE2-CG2 3.58Å; Y909-T977 HydrophobicContact CG-CG2 4.28Å; Y909-I981 HydrophobicContact CD1-CD1 4.07Å; Y909-I981 HydrophobicContact CD2-CD1 3.92Å; Y909-I981 HydrophobicContact CG-CD1 3.49Å; Y909-I981 VanDerWaalsContact CG-CD1 3.49Å
910	T	98.6	Very high	94.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	148.9	-177.3	64.3	0	0	0	0	110.5	V878 N880 R912 L926	V878-T910 HydrophobicContact CG1-CG2 4Å; N880-T910 WeakPolarHBondContact CA-OG1 3.33Å; N880-T910 PolarHBondContact O-N 3.02Å; T910-R912 VanDerWaalsContact C-N 3.31Å; T910-R912 WeakPolarHBondContact CB-O 3.38Å; T910-R912 PolarHBondContact OG1-O 3.03Å; T910-L926 HydrophobicContact CG2-CD1 3.91Å; T910-L926 HydrophobicContact CG2-CD2 4.41Å
911	D	97.7	Very high	95.9	Very high	17 Å²	17	19.7 Å²	19.7	9%	0.091	10%	0.099	C	C	.	.	S	Bend	trans	-82.8	-8.7	177.3	64.3	-4.6	0	0	0	113.7	Y403 G958 I959	Y403-D911 HydrophobicContact CD2-CB 4.42Å; Y403-D911 HydrophobicContact CE2-CB 4.17Å; D911-G958 WeakPolarHBondContact OD2-CA 3.5Å; D911-I959 HydrophobicContact CB-CD1 4.47Å; D911-I959 HydrophobicContact CB-CG1 3.71Å; D911-I959 PolarHBondContact N-O 2.84Å; D911-I959 PolarHBondContact OD2-N 3.33Å
912	R	97.8	Very high	96.6	Very high	1 Å²	1	16 Å²	16	0%	0.004	8%	0.083	C	C	.	.	S	Bend	trans	-156.7	169.2	-179.7	69.5	-159.8	75.6	-177.6	1.7	110.7	P399 K402 Y403 I879 T910 R957	P399-R912 WeakPolarHBondContact O-CD 3.47Å; P399-R912 PolarHBondContact O-NH1 2.86Å; P399-R912 VanDerWaalsContact O-NH1 3.14Å; K402-R912 HydrophobicContact CB-CB 4.4Å; Y403-R912 VanDerWaalsContact CB-NH1 3.26Å; Y403-R912 VanDerWaalsContact CD2-CZ 3.44Å; I879-R912 CarbonylContact O-C 3.53Å; T910-R912 VanDerWaalsContact C-N 3.31Å; T910-R912 WeakPolarHBondContact CB-O 3.38Å; T910-R912 PolarHBondContact OG1-O 3.03Å; R912-R957 VanDerWaalsContact CZ-O 3.23Å; R912-R957 PolarHBondContact NH1-O 2.92Å; R912-R957 PolarHBondContact NH2-O 3.18Å
913	A	98.5	Very high	97	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.033	8%	0.079	C	C	.	.			trans	-67	137.3	176.8	0	0	0	0	0	112.4	T161 Y395 K402 V878	T161-A913 HydrophobicContact CG2-CB 4.09Å; Y395-A913 CarbonylContact O-C 3.49Å; K402-A913 HydrophobicContact CD-CB 4.34Å; V878-A913 CarbonylContact O-C 3.59Å; V878-A913 VanDerWaalsContact O-CA 3.29Å; V878-A913 WeakPolarHBondContact O-CA 3.21Å
914	Q	98.8	Very high	97.3	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	164.8	179.6	-70	177	-26	0	0	110.2	Y395 V878 L926 M927 L928 H960	Y395-Q914 CarbonylContact O-C 3.43Å; Y395-Q914 WeakPolarHBondContact O-CA 3.33Å; Y395-Q914 PolarHBondContact O-N 3.21Å; V878-Q914 PolarHBondContact N-O 2.91Å; V878-Q914 PolarHBondContact O-N 2.9Å; Q914-L926 HydrophobicContact CB-CD2 4.47Å; Q914-M927 WeakPolarHBondContact CG-O 3.27Å; Q914-L928 VanDerWaalsContact NE2-CD2 3.34Å; Q914-H960 PolarHBondContact NE2-NE2 2.81Å; Q914-H960 PolarHBondContact OE1-NE2 3.38Å
915	G	98.7	Very high	97.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.8	163.4	0	0	0	0	0	111.1	T396 L926 M927	T396-G915 PolarHBondContact OG1-N 2.84Å; G915-L926 WeakPolarHBondContact O-CA 3.36Å; G915-M927 PolarHBondContact O-N 2.88Å
916	G	98.7	Very high	97.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	158.6	180	0	0	0	0	0	115.1	Y876 E925	Y876-G916 PolarHBondContact N-O 3.31Å; Y876-G916 PolarHBondContact O-N 3.46Å; G916-E925 CarbonylContact C-O 3.55Å; G916-E925 WeakPolarHBondContact CA-O 3.44Å
917	T	98.7	Very high	97.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	172.4	-176.8	-168.7	0	0	0	0	113.6	N874 Y875 L919 I924 E925	N874-T917 WeakPolarHBondContact CB-OG1 3.3Å; N874-T917 WeakPolarHBondContact O-CB 3.34Å; N874-T917 PolarHBondContact O-OG1 3.02Å; Y875-T917 HydrophobicContact CD2-CG2 3.73Å; Y875-T917 HydrophobicContact CE1-CG2 4.5Å; Y875-T917 HydrophobicContact CE2-CG2 3.38Å; Y875-T917 HydrophobicContact CG-CG2 4.44Å; T917-L919 HydrophobicContact CG2-CD1 4.25Å; T917-L919 HydrophobicContact CG2-CD2 3.9Å; T917-L919 HydrophobicContact CG2-CG 3.63Å; T917-I924 WeakPolarHBondContact O-CA 3.43Å; T917-E925 HydrophobicContact CG2-CB 3.92Å; T917-E925 PolarHBondContact N-O 2.89Å; T917-E925 PolarHBondContact O-N 3.25Å
918	S	98.2	Very high	97.9	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.007	6%	0.062	C	C	.	.			trans	-127.9	84.6	166.6	-175.2	0	0	0	0	109.9	R853 K920 Q923	R853-S918 WeakPolarHBondContact CD-O 3.39Å; R853-S918 PolarHBondContact NH1-O 2.75Å; R853-S918 VanDerWaalsContact NH1-O 3.1Å; S918-K920 VanDerWaalsContact C-N 3.27Å; S918-K920 PolarHBondContact O-N 2.86Å; S918-K920 PolarHBondContact OG-O 3.04Å; S918-Q923 VanDerWaalsContact CA-O 3.3Å; S918-Q923 WeakPolarHBondContact CA-O 3.5Å; S918-Q923 WeakPolarHBondContact CB-O 3.29Å; S918-Q923 PolarHBondContact OG-O 2.79Å
919	L	96.9	Very high	97.8	Very high	29 Å²	29	13 Å²	13	15%	0.152	6%	0.063	C	C	.	.	S	Bend	trans	-72.1	-20.2	-177.6	-61.9	179.6	0	0	0	113.6	Y738 R853 V871 N874 T917	Y738-L919 WeakPolarHBondContact OH-CD1 3.06Å; R853-L919 VanDerWaalsContact CD-O 3.23Å; R853-L919 WeakPolarHBondContact CD-O 3.01Å; R853-L919 PolarHBondContact NE-O 2.77Å; R853-L919 PolarHBondContact NH1-O 2.9Å; V871-L919 HydrophobicContact CG1-CD1 4.24Å; V871-L919 HydrophobicContact CG2-CD1 4.4Å; N874-L919 HydrophobicContact CB-CD2 4.04Å; T917-L919 HydrophobicContact CG2-CD1 4.25Å; T917-L919 HydrophobicContact CG2-CD2 3.9Å; T917-L919 HydrophobicContact CG2-CG 3.63Å
920	K	95.8	Very high	97.8	Very high	141 Å²	141	12.9 Å²	12.9	61%	0.613	6%	0.063	S	C	*	.	S	Bend	trans	-137.8	154.9	173.5	-65.9	-173.2	-179.8	-175.9	0	109.7	R853 S918 Q923	R853-K920 VanDerWaalsContact NH1-C 3.29Å; R853-K920 VanDerWaalsContact NH1-CA 3.26Å; S918-K920 VanDerWaalsContact C-N 3.27Å; S918-K920 PolarHBondContact O-N 2.86Å; S918-K920 PolarHBondContact OG-O 3.04Å; K920-Q923 HydrophobicContact CB-CB 4.2Å; K920-Q923 VanDerWaalsContact O-CB 3.28Å; K920-Q923 WeakPolarHBondContact O-CB 3.04Å; K920-Q923 PolarHBondContact O-N 3.12Å; K920-Q923 VanDerWaalsContact O-N 3.13Å
921	D	94.9	Very high	97.8	Very high	60 Å²	60	13.5 Å²	13.5	32%	0.321	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	139.6	-179.5	-57	-16.5	0	0	0	109.8	V833 P836 G837 R853 Q923	V833-D921 HydrophobicContact CB-CB 4.38Å; V833-D921 HydrophobicContact CG1-CB 4.39Å; V833-D921 HydrophobicContact CG2-CB 4.1Å; P836-D921 WeakPolarHBondContact CB-OD2 3.38Å; G837-D921 WeakPolarHBondContact CA-OD1 3.4Å; G837-D921 PolarHBondContact N-OD1 2.92Å; R853-D921 IonicContact CZ-OD1 3.81Å; R853-D921 IonicContact NH1-OD1 3.16Å; R853-D921 PolarHBondContact NH1-OD1 2.74Å; R853-D921 IonicContact NH2-OD1 3.81Å; R853-D921 PolarHBondContact NH2-OD1 2.86Å; R853-D921 IonicContact NH2-OD2 3.83Å; D921-Q923 PolarHBondContact O-N 3.13Å
922	G	94.5	Very high	97.8	Very high	2 Å²	2	12.7 Å²	12.7	2%	0.021	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	6.5	-173	0	0	0	0	0	114.5	L826	L826-G922 WeakPolarHBondContact CB-O 3.04Å; L826-G922 PolarHBondContact N-O 3Å
923	Q	96.4	Very high	97.8	Very high	10 Å²	10	13.1 Å²	13.1	5%	0.047	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.6	-178.2	-177	172.5	86	0	0	112.4	R823 Y824 T825 S918 K920 D921	R823-Q923 HydrophobicContact CG-CG 3.69Å; Y824-Q923 CarbonylContact O-C 3.59Å; Y824-Q923 VanDerWaalsContact O-CA 3.29Å; Y824-Q923 WeakPolarHBondContact O-CA 2.93Å; T825-Q923 PolarHBondContact OG1-NE2 2.81Å; T825-Q923 VanDerWaalsContact OG1-NE2 3.14Å; S918-Q923 VanDerWaalsContact CA-O 3.3Å; S918-Q923 WeakPolarHBondContact CA-O 3.5Å; S918-Q923 WeakPolarHBondContact CB-O 3.29Å; S918-Q923 PolarHBondContact OG-O 2.79Å; K920-Q923 HydrophobicContact CB-CB 4.2Å; K920-Q923 VanDerWaalsContact O-CB 3.28Å; K920-Q923 WeakPolarHBondContact O-CB 3.04Å; K920-Q923 PolarHBondContact O-N 3.12Å; K920-Q923 VanDerWaalsContact O-N 3.13Å; D921-Q923 PolarHBondContact O-N 3.13Å
924	I	98.7	Very high	97.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.8	163.5	-70	170.6	0	0	0	108.2	R823 Y824 I882 L884 L906 I908 T917 L926	R823-I924 WeakPolarHBondContact CA-O 3.43Å; Y824-I924 HydrophobicContact CD2-CG2 4.44Å; Y824-I924 PolarHBondContact N-O 3.34Å; Y824-I924 PolarHBondContact O-N 3.11Å; I882-I924 HydrophobicContact CD1-CG2 4.04Å; I882-I924 HydrophobicContact CG1-CD1 4.41Å; I882-I924 HydrophobicContact CG1-CG1 4.42Å; I882-I924 HydrophobicContact CG1-CG2 4.25Å; I882-I924 HydrophobicContact CG2-CD1 4.31Å; I882-I924 HydrophobicContact CG2-CG2 3.62Å; L884-I924 HydrophobicContact CD1-CD1 4.46Å; L884-I924 HydrophobicContact CD1-CG1 4.12Å; L884-I924 HydrophobicContact CD2-CG1 4.14Å; L884-I924 HydrophobicContact CG-CD1 3.92Å; L884-I924 HydrophobicContact CG-CG1 3.82Å; L906-I924 HydrophobicContact CD2-CD1 4.02Å; L906-I924 HydrophobicContact CG-CD1 4.19Å; I908-I924 HydrophobicContact CD1-CB 3.94Å; I908-I924 HydrophobicContact CD1-CD1 3.84Å; I908-I924 HydrophobicContact CD1-CG2 3.74Å; I908-I924 HydrophobicContact CG1-CD1 3.87Å; T917-I924 WeakPolarHBondContact O-CA 3.43Å; I924-L926 HydrophobicContact CG2-CG 4.27Å
925	E	98.7	Very high	97.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.6	171.5	-175.3	174.6	97.2	0	0	109.5	Y738 V821 I822 R823 Y875 G916 T917	Y738-E925 PolarHBondContact OH-OE1 2.67Å; V821-E925 HydrophobicContact CB-CG 3.97Å; V821-E925 HydrophobicContact CG1-CG 4.49Å; V821-E925 HydrophobicContact CG2-CG 4.03Å; I822-E925 WeakPolarHBondContact O-CA 3.38Å; R823-E925 IonicContact CZ-OE2 2.67Å; R823-E925 VanDerWaalsContact CZ-OE2 3.25Å; R823-E925 IonicContact NE-OE2 3.6Å; R823-E925 PolarHBondContact NE-OE2 3.37Å; R823-E925 IonicContact NH2-OE2 2.79Å; R823-E925 PolarHBondContact NH2-OE2 2.84Å; Y875-E925 WeakPolarHBondContact OH-CG 3.41Å; Y875-E925 PolarHBondContact OH-OE1 2.66Å; G916-E925 CarbonylContact C-O 3.55Å; G916-E925 WeakPolarHBondContact CA-O 3.44Å; T917-E925 HydrophobicContact CG2-CB 3.92Å; T917-E925 PolarHBondContact N-O 2.89Å; T917-E925 PolarHBondContact O-N 3.25Å
926	L	98.9	Very high	97.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.7	178	-73.6	166.5	0	0	0	109.1	V821 I822 Y824 V878 I882 I908 T910 Q914 G915 I924	V821-L926 CarbonylContact C-O 3.54Å; V821-L926 VanDerWaalsContact CA-O 3.27Å; V821-L926 WeakPolarHBondContact CA-O 3.28Å; V821-L926 WeakPolarHBondContact CB-O 3.35Å; I822-L926 HydrophobicContact CG2-CB 3.96Å; I822-L926 PolarHBondContact N-O 2.96Å; I822-L926 PolarHBondContact O-N 2.83Å; Y824-L926 HydrophobicContact CE2-CD1 4.38Å; V878-L926 HydrophobicContact CB-CD2 4.14Å; V878-L926 HydrophobicContact CG1-CD2 4.07Å; V878-L926 HydrophobicContact CG2-CD2 4.02Å; I882-L926 HydrophobicContact CG2-CD1 4.17Å; I882-L926 HydrophobicContact CG2-CD2 3.99Å; I882-L926 HydrophobicContact CG2-CG 4.28Å; I908-L926 HydrophobicContact CB-CD1 4.48Å; I908-L926 HydrophobicContact CG2-CD1 3.8Å; T910-L926 HydrophobicContact CG2-CD1 3.91Å; T910-L926 HydrophobicContact CG2-CD2 4.41Å; Q914-L926 HydrophobicContact CB-CD2 4.47Å; G915-L926 WeakPolarHBondContact O-CA 3.36Å; I924-L926 HydrophobicContact CG2-CG 4.27Å
927	M	98.8	Very high	97.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	131.9	174.2	-175.1	-175.6	-75.7	0	0	109.9	T396 F753 E819 V821 Y875 Q914 G915 R930	T396-M927 HydrophobicContact CG2-CB 4.34Å; T396-M927 HydrophobicContact CG2-CG 3.93Å; T396-M927 VanDerWaalsContact CG2-O 3.29Å; T396-M927 WeakPolarHBondContact CG2-O 3.16Å; T396-M927 HydrophobicContact CG2-SD 4.48Å; T396-M927 WeakPolarHBondContact OG1-CB 3.38Å; T396-M927 PolarHBondContact OG1-O 2.94Å; F753-M927 HydrophobicContact CD1-CE 3.63Å; F753-M927 HydrophobicContact CD2-CE 3.71Å; F753-M927 HydrophobicContact CE1-CE 3.58Å; F753-M927 HydrophobicContact CE2-CE 3.65Å; F753-M927 HydrophobicContact CG-CE 3.69Å; F753-M927 HydrophobicContact CZ-CE 3.58Å; E819-M927 HydrophobicContact CB-CE 4.25Å; V821-M927 HydrophobicContact CG1-CB 4.09Å; V821-M927 HydrophobicContact CG1-CG 4.23Å; Y875-M927 HydrophobicContact CE1-CB 3.87Å; Y875-M927 HydrophobicContact CE1-CE 4Å; Q914-M927 WeakPolarHBondContact CG-O 3.27Å; G915-M927 PolarHBondContact O-N 2.88Å; M927-R930 HydrophobicContact CG-CG 4.23Å; M927-R930 WeakPolarHBondContact SD-CD 3.48Å; M927-R930 HydrophobicContact SD-CG 3.78Å
928	L	98.7	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-46.7	-168.9	-63.1	-174	0	0	0	113.1	T396 P399 L735 W804 L820 I822 Q914	T396-L928 VanDerWaalsContact CG2-C 3.46Å; T396-L928 WeakPolarHBondContact CG2-O 3.43Å; P399-L928 WeakPolarHBondContact CG-O 3.3Å; L735-L928 HydrophobicContact CD2-CD1 3.71Å; W804-L928 HydrophobicContact CB-CD1 3.74Å; W804-L928 HydrophobicContact CD2-CB 4.32Å; W804-L928 HydrophobicContact CD2-CD1 3.87Å; W804-L928 HydrophobicContact CD2-CD2 3.88Å; W804-L928 HydrophobicContact CD2-CG 4.26Å; W804-L928 HydrophobicContact CE3-CB 4.23Å; W804-L928 HydrophobicContact CE3-CD1 4.24Å; W804-L928 HydrophobicContact CG-CD1 3.63Å; W804-L928 HydrophobicContact CG-CD2 3.97Å; W804-L928 HydrophobicContact CG-CG 4.37Å; W804-L928 HydrophobicContact CZ2-CD2 4.18Å; W804-L928 HydrophobicContact CZ3-CB 4.38Å; L820-L928 HydrophobicContact CD2-CB 4.38Å; L820-L928 HydrophobicContact CD2-CD1 4.2Å; L820-L928 PolarHBondContact O-N 2.83Å; I822-L928 HydrophobicContact CB-CD1 3.9Å; I822-L928 HydrophobicContact CB-CD2 4.42Å; I822-L928 HydrophobicContact CB-CG 4.24Å; I822-L928 HydrophobicContact CG2-CD1 4.06Å; I822-L928 HydrophobicContact CG2-CD2 3.65Å; I822-L928 HydrophobicContact CG2-CG 3.95Å; Q914-L928 VanDerWaalsContact NE2-CD2 3.34Å
929	H	98.3	Very high	97.1	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.019	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	152	-176	-167.8	18.3	0	0	0	110.5	P399 A806 I809 L820 E946 L954	P399-H929 HydrophobicContact CG-CB 4.25Å; A806-H929 HydrophobicContact CB-CB 3.86Å; I809-H929 HydrophobicContact CD1-CB 3.94Å; L820-H929 PolarHBondContact N-O 3.01Å; H929-E946 IonicContact CE1-OE2 3.98Å; H929-L954 PolarHBondContact NE2-O 2.81Å; H929-L954 VanDerWaalsContact NE2-O 3.12Å
930	R	98.1	Very high	97.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	138.5	-174.5	-46.7	-166.7	-44.6	145.7	-10.1	109.8	G393 T396 S397 G749 A750 I752 E819 M927 L932 L944	G393-R930 VanDerWaalsContact O-CZ 3.24Å; G393-R930 PolarHBondContact O-NE 2.77Å; G393-R930 PolarHBondContact O-NH2 2.65Å; T396-R930 HydrophobicContact CG2-CG 4.43Å; S397-R930 PolarHBondContact OG-NH2 2.88Å; G749-R930 PolarHBondContact O-NH1 3.26Å; G749-R930 PolarHBondContact O-NH2 2.86Å; A750-R930 PolarHBondContact O-NH2 3.4Å; I752-R930 PolarHBondContact O-NH1 3.26Å; E819-R930 HydrophobicContact CB-CG 4.42Å; E819-R930 HydrophobicContact CG-CB 4.11Å; E819-R930 HydrophobicContact CG-CG 4.1Å; E819-R930 WeakPolarHBondContact OE1-CD 3.35Å; E819-R930 IonicContact OE1-CZ 3.68Å; E819-R930 IonicContact OE1-NE 3.37Å; E819-R930 IonicContact OE1-NH1 2.64Å; E819-R930 PolarHBondContact OE1-NH1 2.95Å; M927-R930 HydrophobicContact CG-CG 4.23Å; M927-R930 WeakPolarHBondContact SD-CD 3.48Å; M927-R930 HydrophobicContact SD-CG 3.78Å; R930-L932 HydrophobicContact CB-CG 4.43Å; R930-L944 HydrophobicContact CB-CD2 4.33Å
931	R	97.7	Very high	97.1	Very high	13 Å²	13	23.4 Å²	23.4	5%	0.049	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	117.2	167.9	-164.6	-178.8	-165.8	-164.6	-1.9	109.5	I809 S817 R818 M945 N947 R952	I809-R931 HydrophobicContact CB-CB 3.86Å; I809-R931 HydrophobicContact CD1-CB 4.49Å; I809-R931 HydrophobicContact CG2-CB 4.02Å; I809-R931 WeakPolarHBondContact O-CD 3.22Å; I809-R931 PolarHBondContact O-NH1 2.79Å; S817-R931 CarbonylContact C-O 3.55Å; S817-R931 WeakPolarHBondContact CA-O 3.27Å; R818-R931 PolarHBondContact N-O 2.63Å; R818-R931 PolarHBondContact O-N 3.46Å; R931-M945 HydrophobicContact CG-CE 4.42Å; R931-M945 HydrophobicContact CG-SD 4.34Å; R931-M945 PolarHBondContact NE-O 2.95Å; R931-N947 PolarHBondContact NH2-OD1 2.86Å; R931-R952 PolarHBondContact NH1-O 3.15Å; R931-R952 VanDerWaalsContact NH2-C 3.32Å; R931-R952 PolarHBondContact NH2-O 3.33Å; R931-R952 VanDerWaalsContact NH2-O 3.1Å
932	L	98.2	Very high	97.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.141	C	C	.	.			trans	-122.6	126.9	-166.6	-51.7	175.3	0	0	0	109.2	G749 S817 E819 R930 R934 A943 L944	G749-L932 VanDerWaalsContact CA-CD1 3.42Å; G749-L932 WeakPolarHBondContact O-CD1 3.28Å; S817-L932 WeakPolarHBondContact OG-CA 3.46Å; E819-L932 HydrophobicContact CG-CD2 3.76Å; R930-L932 HydrophobicContact CB-CG 4.43Å; L932-R934 VanDerWaalsContact C-N 3.34Å; L932-A943 WeakPolarHBondContact O-CB 3.45Å; L932-L944 HydrophobicContact CB-CB 4.22Å; L932-L944 HydrophobicContact CD1-CB 4.14Å; L932-L944 HydrophobicContact CD1-CD2 4.1Å; L932-L944 HydrophobicContact CG-CB 4.35Å; L932-L944 PolarHBondContact N-O 3.03Å; L932-L944 CarbonylContact O-C 3.56Å
933	V	97.3	Very high	97.3	Very high	11 Å²	11	24.7 Å²	24.7	7%	0.067	15%	0.149	C	C	.	.	S	Bend	trans	-92.4	3	-173.4	-57.3	0	0	0	0	113.2	T742 D811 H814 N816 S817 M945	T742-V933 HydrophobicContact CG2-CG2 3.86Å; D811-V933 HydrophobicContact CB-CG1 3.68Å; H814-V933 HydrophobicContact CB-CB 4.48Å; N816-V933 WeakPolarHBondContact O-CG1 3.45Å; S817-V933 PolarHBondContact OG-N 3.19Å; V933-M945 HydrophobicContact CB-SD 4.39Å; V933-M945 HydrophobicContact CG1-CE 4.47Å; V933-M945 HydrophobicContact CG1-SD 3.99Å
934	R	97.4	Very high	97.4	Very high	100 Å²	100	24.4 Å²	24.4	38%	0.377	15%	0.148	S	C	.	.	S	Bend	trans	-133.2	151.4	178.7	-61.7	-62.4	178.5	-93.4	-1.9	110	T742 P747 H814 L932	T742-R934 HydrophobicContact CG2-CG 4.32Å; P747-R934 HydrophobicContact CB-CB 3.95Å; H814-R934 PolarHBondContact O-NH1 3Å; L932-R934 VanDerWaalsContact C-N 3.34Å
935	D	97.1	Very high	97.3	Very high	45 Å²	45	25.5 Å²	25.5	24%	0.241	15%	0.153	C	C	.	.			trans	-79.6	143.8	163.9	179.1	69.6	0	0	0	108.5	G937 S941 E942	D935-G937 VanDerWaalsContact C-N 3.29Å; D935-G937 VanDerWaalsContact OD2-CA 3.28Å; D935-G937 WeakPolarHBondContact OD2-CA 3.49Å; D935-G937 PolarHBondContact OD2-N 3.02Å; D935-S941 PolarHBondContact OD1-N 3.35Å; D935-S941 VanDerWaalsContact OD1-N 3.11Å; D935-E942 PolarHBondContact OD1-N 3.22Å
936	D	97.4	Very high	97	Very high	6 Å²	6	26 Å²	26	3%	0.032	16%	0.155	C	C	.	.			trans	-85	-0.5	177.8	53	22.2	0	0	0	113.2	Q746 P747 G749 A750 Y751 I752 F938	Q746-D936 PolarHBondContact NE2-O 3.25Å; P747-D936 WeakPolarHBondContact O-CB 3.47Å; G749-D936 WeakPolarHBondContact CA-OD2 3.42Å; A750-D936 PolarHBondContact N-OD2 3.11Å; A750-D936 VanDerWaalsContact N-OD2 3.15Å; Y751-D936 WeakPolarHBondContact CA-OD2 3.46Å; Y751-D936 WeakPolarHBondContact CB-OD2 3.48Å; Y751-D936 PolarHBondContact N-OD2 3.03Å; I752-D936 HydrophobicContact CB-CB 4.14Å; I752-D936 HydrophobicContact CG1-CB 3.89Å; I752-D936 PolarHBondContact N-OD2 3.31Å; D936-F938 HydrophobicContact CB-CD2 4.1Å; D936-F938 PolarHBondContact OD1-N 2.87Å
937	G	96.1	Very high	96.6	Very high	58 Å²	58	29.6 Å²	29.6	60%	0.598	18%	0.175	S	C	*	.	S	Bend	trans	80.8	11.6	175.2	0	0	0	0	0	114.6	D935	D935-G937 VanDerWaalsContact C-N 3.29Å; D935-G937 VanDerWaalsContact OD2-CA 3.28Å; D935-G937 WeakPolarHBondContact OD2-CA 3.49Å; D935-G937 PolarHBondContact OD2-N 3.02Å
938	F	95.5	Very high	96	Very high	63 Å²	63	30.1 Å²	30.1	28%	0.276	18%	0.18	S	C	.	.	S	Bend	trans	-98.3	25.2	-178.8	-68.7	-65.9	0	0	0	114.6	W391 Q746 Y751 I752 D936	W391-F938 HydrophobicContact CH2-CB 3.9Å; W391-F938 HydrophobicContact CH2-CD1 4.18Å; W391-F938 AromaticContact CH2-CG 3.98Å; W391-F938 HydrophobicContact CH2-CG 3.98Å; W391-F938 HydrophobicContact CZ2-CB 4.14Å; W391-F938 AromaticContact CZ2-CD1 3.65Å; W391-F938 HydrophobicContact CZ2-CD1 3.65Å; W391-F938 HydrophobicContact CZ2-CD2 4.11Å; W391-F938 HydrophobicContact CZ2-CE1 4.06Å; W391-F938 HydrophobicContact CZ2-CE2 4.47Å; W391-F938 AromaticContact CZ2-CG 3.69Å; W391-F938 HydrophobicContact CZ2-CG 3.69Å; W391-F938 HydrophobicContact CZ2-CZ 4.45Å; Q746-F938 VanDerWaalsContact OE1-CE2 3.25Å; Y751-F938 HydrophobicContact CD2-CB 3.73Å; Y751-F938 HydrophobicContact CE2-CB 3.93Å; I752-F938 HydrophobicContact CD1-CD2 4.13Å; I752-F938 HydrophobicContact CD1-CE2 3.7Å; I752-F938 HydrophobicContact CG1-CD2 3.83Å; I752-F938 HydrophobicContact CG1-CE2 3.57Å; D936-F938 HydrophobicContact CB-CD2 4.1Å; D936-F938 PolarHBondContact OD1-N 2.87Å
939	G	94.4	Very high	95.6	Very high	28 Å²	28	35.9 Å²	35.9	29%	0.289	21%	0.21	S	C	.	.	S	Bend	trans	118.1	-30.3	163.2	0	0	0	0	0	115.1	S941	G939-S941 PolarHBondContact O-N 3.15Å; G939-S941 PolarHBondContact O-OG 2.88Å; G939-S941 VanDerWaalsContact O-OG 3.11Å
940	V	96.6	Very high	95.2	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	22%	0.221	C	C	.	.			trans	-58.3	-36.2	-178.4	177.6	0	0	0	0	111.6	T460 K462 A750 Y751 E942	T460-V940 WeakPolarHBondContact O-CG2 3.41Å; K462-V940 WeakPolarHBondContact CE-O 3.5Å; K462-V940 HydrophobicContact CG-CG1 4.13Å; A750-V940 HydrophobicContact CB-CG2 4.33Å; Y751-V940 HydrophobicContact CE2-CG2 3.58Å; Y751-V940 WeakPolarHBondContact OH-CG2 3.44Å; V940-E942 HydrophobicContact CG1-CB 3.92Å; V940-E942 PolarHBondContact O-N 3.23Å
941	S	95.7	Very high	94.9	Very high	88 Å²	88	44.8 Å²	44.8	62%	0.615	25%	0.253	S	S	*	.			trans	58	33.1	179.2	-49.5	0	0	0	0	112.1	D935 G939	D935-S941 PolarHBondContact OD1-N 3.35Å; D935-S941 VanDerWaalsContact OD1-N 3.11Å; G939-S941 PolarHBondContact O-N 3.15Å; G939-S941 PolarHBondContact O-OG 2.88Å; G939-S941 VanDerWaalsContact O-OG 3.11Å
942	E	96.7	Very high	94.7	Very high	65 Å²	65	51.1 Å²	51.1	30%	0.304	28%	0.277	S	S	.	.	S	Bend	trans	-154.5	135.6	-179.9	-170	-174.3	163.2	0	0	108.9	K462 Q463 D935 V940	K462-E942 VanDerWaalsContact CA-OE2 3.27Å; K462-E942 WeakPolarHBondContact CA-OE2 3.28Å; K462-E942 WeakPolarHBondContact CB-OE2 3.13Å; K462-E942 HydrophobicContact CG-CB 4.43Å; K462-E942 VanDerWaalsContact CG-OE2 3.31Å; K462-E942 WeakPolarHBondContact CG-OE2 3.24Å; Q463-E942 WeakPolarHBondContact CB-OE1 3.4Å; Q463-E942 PolarHBondContact N-OE1 3.09Å; Q463-E942 PolarHBondContact N-OE2 2.91Å; D935-E942 PolarHBondContact OD1-N 3.22Å; V940-E942 HydrophobicContact CG1-CB 3.92Å; V940-E942 PolarHBondContact O-N 3.23Å
943	A	97.4	Very high	94.5	Very high	24 Å²	24	51.2 Å²	51.2	20%	0.198	28%	0.278	C	S	.	.			trans	-76.1	144.1	176.7	0	0	0	0	0	111.4	L932 M945	L932-A943 WeakPolarHBondContact O-CB 3.45Å; A943-M945 VanDerWaalsContact C-N 3.28Å; A943-M945 HydrophobicContact CB-CG 4.13Å; A943-M945 PolarHBondContact O-N 2.89Å
944	L	97.8	Very high	94.4	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	28%	0.284	C	S	.	.			trans	-75.9	77.4	177.9	-174.6	71.9	0	0	0	111	S397 R398 R930 L932 E946	S397-L944 WeakPolarHBondContact OG-CD2 3.21Å; R398-L944 HydrophobicContact CG-CD1 4.05Å; R930-L944 HydrophobicContact CB-CD2 4.33Å; L932-L944 HydrophobicContact CB-CB 4.22Å; L932-L944 HydrophobicContact CD1-CB 4.14Å; L932-L944 HydrophobicContact CD1-CD2 4.1Å; L932-L944 HydrophobicContact CG-CB 4.35Å; L932-L944 PolarHBondContact N-O 3.03Å; L932-L944 CarbonylContact O-C 3.56Å; L944-E946 HydrophobicContact CD1-CG 4.03Å; L944-E946 HydrophobicContact CG-CG 4.45Å
945	M	96.3	Very high	94.4	Very high	24 Å²	24	48.4 Å²	48.4	12%	0.118	27%	0.27	C	S	.	.			trans	-93.2	-28.2	-176.4	-70.5	-61.2	-63.6	0	0	114.2	D811 R931 V933 A943 N947	D811-M945 HydrophobicContact CB-CE 4.11Å; D811-M945 VanDerWaalsContact OD2-CE 3.27Å; D811-M945 WeakPolarHBondContact OD2-CE 3.43Å; R931-M945 HydrophobicContact CG-CE 4.42Å; R931-M945 HydrophobicContact CG-SD 4.34Å; R931-M945 PolarHBondContact NE-O 2.95Å; V933-M945 HydrophobicContact CB-SD 4.39Å; V933-M945 HydrophobicContact CG1-CE 4.47Å; V933-M945 HydrophobicContact CG1-SD 3.99Å; A943-M945 VanDerWaalsContact C-N 3.28Å; A943-M945 HydrophobicContact CB-CG 4.13Å; A943-M945 PolarHBondContact O-N 2.89Å; M945-N947 PolarHBondContact O-N 3.05Å
946	E	92.9	Very high	94.4	Very high	9 Å²	9	46.4 Å²	46.4	4%	0.042	26%	0.259	C	S	.	.			trans	41.1	61.6	-176.9	-63.4	-164.7	73.7	0	0	112.6	R398 H929 L944 G948 G953 L954	R398-E946 WeakPolarHBondContact CA-OE1 3.44Å; R398-E946 VanDerWaalsContact CA-OE2 3.31Å; R398-E946 WeakPolarHBondContact CA-OE2 3.48Å; R398-E946 PolarHBondContact N-OE2 3.1Å; H929-E946 IonicContact CE1-OE2 3.98Å; L944-E946 HydrophobicContact CD1-CG 4.03Å; L944-E946 HydrophobicContact CG-CG 4.45Å; E946-G948 PolarHBondContact O-N 3.02Å; E946-G953 CarbonylContact O-C 3.5Å; E946-G953 WeakPolarHBondContact O-CA 3.36Å; E946-L954 HydrophobicContact CB-CB 4.07Å; E946-L954 VanDerWaalsContact O-CB 3.27Å; E946-L954 WeakPolarHBondContact O-CB 3.16Å; E946-L954 PolarHBondContact O-N 2.73Å
947	N	89.2	Confident	94.4	Very high	77 Å²	77	46.6 Å²	46.6	41%	0.412	26%	0.259	S	S	.	.			trans	-68.5	106.4	-179.8	-67.3	-25.8	0	0	0	109.2	R931 M945	R931-N947 PolarHBondContact NH2-OD1 2.86Å; M945-N947 PolarHBondContact O-N 3.05Å
948	G	87.7	Confident	94.5	Very high	10 Å²	10	43.9 Å²	43.9	10%	0.103	23%	0.232	C	C	.	.			trans	-62.6	-171	174.5	0	0	0	0	0	113.2	E946 D950 H951	E946-G948 PolarHBondContact O-N 3.02Å; G948-D950 PolarHBondContact O-N 2.87Å; G948-D950 VanDerWaalsContact O-N 3.16Å; G948-H951 WeakPolarHBondContact O-CA 3.16Å; G948-H951 PolarHBondContact O-N 2.87Å
949	L	89	Confident	94.6	Very high	122 Å²	122	43.2 Å²	43.2	64%	0.639	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-33.4	-175.7	-72.2	-178	0	0	0	114.4	E618 H951	E618-L949 HydrophobicContact CB-CD1 4.29Å; E618-L949 HydrophobicContact CG-CD1 3.64Å; E618-L949 HydrophobicContact CG-CG 4.2Å; L949-H951 VanDerWaalsContact C-N 3.29Å
950	D	91.8	Very high	94.8	Very high	46 Å²	46	41.9 Å²	41.9	25%	0.246	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	4	178.9	69.1	-1.7	0	0	0	113.7	P617 G948 R952	P617-D950 HydrophobicContact CB-CB 4.22Å; P617-D950 HydrophobicContact CG-CB 3.99Å; P617-D950 VanDerWaalsContact CG-OD2 3.29Å; P617-D950 WeakPolarHBondContact CG-OD2 3.25Å; G948-D950 PolarHBondContact O-N 2.87Å; G948-D950 VanDerWaalsContact O-N 3.16Å; D950-R952 PolarHBondContact O-N 2.74Å; D950-R952 VanDerWaalsContact O-N 3.09Å; D950-R952 WeakPolarHBondContact OD1-CB 3.14Å; D950-R952 PolarHBondContact OD1-N 3.29Å; D950-R952 IonicContact OD2-CZ 2.74Å; D950-R952 IonicContact OD2-NE 3.25Å; D950-R952 PolarHBondContact OD2-NE 3.28Å; D950-R952 IonicContact OD2-NH2 3.31Å; D950-R952 PolarHBondContact OD2-NH2 3.21Å
951	H	91.8	Very high	94.9	Very high	145 Å²	145	43.3 Å²	43.3	67%	0.671	22%	0.223	S	C	*	.	S	Bend	trans	60.5	9.7	-175.9	-50.6	-56.9	0	0	0	115.9	G948 L949	G948-H951 WeakPolarHBondContact O-CA 3.16Å; G948-H951 PolarHBondContact O-N 2.87Å; L949-H951 VanDerWaalsContact C-N 3.29Å
952	R	92.9	Very high	94.9	Very high	146 Å²	146	39.4 Å²	39.4	55%	0.551	20%	0.195	S	C	*	.	S	Bend	trans	-92.9	-7	-178.9	-63.1	-174.1	-60.2	169.4	0.6	113.6	P808 R931 D950	P808-R952 HydrophobicContact CB-CB 4.08Å; P808-R952 VanDerWaalsContact CB-O 3.25Å; P808-R952 WeakPolarHBondContact CB-O 3.48Å; P808-R952 HydrophobicContact CG-CB 4.44Å; R931-R952 PolarHBondContact NH1-O 3.15Å; R931-R952 VanDerWaalsContact NH2-C 3.32Å; R931-R952 PolarHBondContact NH2-O 3.33Å; R931-R952 VanDerWaalsContact NH2-O 3.1Å; D950-R952 PolarHBondContact O-N 2.74Å; D950-R952 VanDerWaalsContact O-N 3.09Å; D950-R952 WeakPolarHBondContact OD1-CB 3.14Å; D950-R952 PolarHBondContact OD1-N 3.29Å; D950-R952 IonicContact OD2-CZ 2.74Å; D950-R952 IonicContact OD2-NE 3.25Å; D950-R952 PolarHBondContact OD2-NE 3.28Å; D950-R952 IonicContact OD2-NH2 3.31Å; D950-R952 PolarHBondContact OD2-NH2 3.21Å
953	G	94	Very high	94.9	Very high	2 Å²	2	38 Å²	38	2%	0.021	19%	0.187	C	C	.	.			trans	119.3	136.4	-178.4	0	0	0	0	0	111.4	P808 E946	P808-G953 WeakPolarHBondContact CB-O 3.43Å; E946-G953 CarbonylContact O-C 3.5Å; E946-G953 WeakPolarHBondContact O-CA 3.36Å
954	L	95.7	Very high	94.8	Very high	37 Å²	37	36.9 Å²	36.9	19%	0.194	18%	0.178	C	C	.	.			trans	-66.3	134.9	-173.5	-174.7	66.2	0	0	0	110.7	A400 H929 E946 V956	A400-L954 HydrophobicContact CB-CD2 3.66Å; H929-L954 PolarHBondContact NE2-O 2.81Å; H929-L954 VanDerWaalsContact NE2-O 3.12Å; E946-L954 HydrophobicContact CB-CB 4.07Å; E946-L954 VanDerWaalsContact O-CB 3.27Å; E946-L954 WeakPolarHBondContact O-CB 3.16Å; E946-L954 PolarHBondContact O-N 2.73Å; L954-V956 HydrophobicContact CD2-CG2 4.13Å; L954-V956 HydrophobicContact CG-CG2 4.09Å
955	I	96.9	Very high	94.6	Very high	15 Å²	15	36.7 Å²	36.7	8%	0.077	18%	0.177	C	C	.	.			trans	-95.1	126.5	174.3	-54	160	0	0	0	107.9	I616 P617 T805 A806	I616-I955 HydrophobicContact CB-CD1 4.49Å; I616-I955 HydrophobicContact CD1-CG2 4.28Å; I616-I955 HydrophobicContact CG1-CB 4.47Å; I616-I955 HydrophobicContact CG1-CD1 4.21Å; I616-I955 HydrophobicContact CG1-CG2 4.01Å; P617-I955 HydrophobicContact CG-CD1 4.26Å; T805-I955 HydrophobicContact CG2-CG2 3.74Å; A806-I955 CarbonylContact O-C 3.52Å; A806-I955 WeakPolarHBondContact O-CA 3.47Å
956	V	96.7	Very high	94.5	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.8	-177	-171.3	0	0	0	0	108.8	P399 A400 W804 T805 A806 L954	P399-V956 HydrophobicContact CB-CG1 4.24Å; P399-V956 HydrophobicContact CG-CB 4.44Å; P399-V956 HydrophobicContact CG-CG1 4.07Å; P399-V956 HydrophobicContact CG-CG2 4.2Å; A400-V956 HydrophobicContact CB-CG1 4.29Å; A400-V956 HydrophobicContact CB-CG2 4.05Å; W804-V956 HydrophobicContact CH2-CG1 3.88Å; W804-V956 HydrophobicContact CZ3-CB 4.11Å; W804-V956 HydrophobicContact CZ3-CG1 3.82Å; T805-V956 WeakPolarHBondContact CA-O 3.37Å; A806-V956 PolarHBondContact N-O 2.89Å; A806-V956 PolarHBondContact O-N 3.12Å; L954-V956 HydrophobicContact CD2-CG2 4.13Å; L954-V956 HydrophobicContact CG-CG2 4.09Å
957	R	97.2	Very high	94.5	Very high	9 Å²	9	37.9 Å²	37.9	3%	0.034	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	147.6	168.4	-50.1	173.5	68	-171.6	9.4	109.8	N511 S513 T613 I616 E803 W804 T805 R912	N511-R957 WeakPolarHBondContact O-CD 3.38Å; N511-R957 PolarHBondContact O-NH1 2.52Å; N511-R957 WeakPolarHBondContact OD1-CB 3.25Å; S513-R957 PolarHBondContact OG-NH1 3.49Å; T613-R957 PolarHBondContact OG1-NE 2.99Å; T613-R957 PolarHBondContact OG1-NH2 3.27Å; T613-R957 VanDerWaalsContact OG1-NH2 3.16Å; I616-R957 HydrophobicContact CD1-CG 4.15Å; E803-R957 IonicContact OE1-CZ 3.27Å; E803-R957 IonicContact OE1-NE 3.97Å; E803-R957 IonicContact OE1-NH2 3.54Å; E803-R957 PolarHBondContact OE1-NH2 2.82Å; E803-R957 IonicContact OE2-NH2 3.98Å; W804-R957 VanDerWaalsContact O-CA 3.24Å; W804-R957 WeakPolarHBondContact O-CA 3.34Å; T805-R957 HydrophobicContact CG2-CG 3.78Å; R912-R957 VanDerWaalsContact CZ-O 3.23Å; R912-R957 PolarHBondContact NH1-O 2.92Å; R912-R957 PolarHBondContact NH2-O 3.18Å
958	G	97.7	Very high	94.7	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	175.3	171.1	0	0	0	0	0	112.1	E803 W804 D911	E803-G958 CarbonylContact C-O 3.54Å; E803-G958 WeakPolarHBondContact CA-O 3.27Å; W804-G958 PolarHBondContact N-O 2.86Å; W804-G958 PolarHBondContact O-N 2.85Å; W804-G958 VanDerWaalsContact O-N 3.08Å; D911-G958 WeakPolarHBondContact OD2-CA 3.5Å
959	I	98	Very high	94.9	Very high	48 Å²	48	41.9 Å²	41.9	25%	0.246	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.4	-174.3	65.4	168.9	0	0	0	112.2	E801 V802 E803 D911	E801-I959 HydrophobicContact CG-CB 4.48Å; V802-I959 CarbonylContact O-C 3.5Å; V802-I959 WeakPolarHBondContact O-CA 3.47Å; E803-I959 HydrophobicContact CB-CG2 4.11Å; E803-I959 HydrophobicContact CG-CG2 4.1Å; D911-I959 HydrophobicContact CB-CD1 4.47Å; D911-I959 HydrophobicContact CB-CG1 3.71Å; D911-I959 PolarHBondContact N-O 2.84Å; D911-I959 PolarHBondContact OD2-N 3.33Å
960	H	98.7	Very high	95.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.1	164.2	-59.5	162.1	0	0	0	109.7	E801 V802 W804 I822 Y824 I908 Y909 Q914	E801-H960 CarbonylContact C-O 3.6Å; E801-H960 WeakPolarHBondContact CA-O 3.39Å; V802-H960 PolarHBondContact N-O 3.46Å; V802-H960 PolarHBondContact O-N 3.09Å; W804-H960 AromaticContact CD1-CE1 3.99Å; W804-H960 AromaticContact CD1-NE2 3.93Å; W804-H960 AromaticContact NE1-CD2 3.72Å; W804-H960 AromaticContact NE1-CE1 3.79Å; W804-H960 AromaticContact NE1-NE2 3.3Å; W804-H960 PolarHBondContact NE1-NE2 2.94Å; I822-H960 VanDerWaalsContact CG2-CE1 3.49Å; I822-H960 WeakPolarHBondContact CG2-CE1 3.19Å; Y824-H960 AromaticContact CE2-ND1 3.77Å; Y824-H960 AromaticContact CZ-ND1 3.75Å; Y824-H960 WeakPolarHBondContact OH-CB 3.47Å; Y824-H960 PolarHBondContact OH-ND1 3.49Å; I908-H960 HydrophobicContact CG2-CB 3.86Å; Y909-H960 CarbonylContact O-C 3.33Å; Y909-H960 VanDerWaalsContact O-CA 3.24Å; Y909-H960 WeakPolarHBondContact O-CA 3.45Å; Q914-H960 PolarHBondContact NE2-NE2 2.81Å; Q914-H960 PolarHBondContact OE1-NE2 3.38Å
961	K	97.9	Very high	95.1	Very high	34 Å²	34	36.1 Å²	36.1	15%	0.148	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.4	168.9	-70.1	-79	-174.3	172.6	0	108.6	E799 E801 Y909 I981	E799-K961 IonicContact OE2-NZ 3.88Å; E799-K961 PolarHBondContact OE2-NZ 2.97Å; E801-K961 HydrophobicContact CB-CD 4.02Å; E801-K961 HydrophobicContact CG-CD 4.22Å; E801-K961 WeakPolarHBondContact OE2-CE 3.42Å; E801-K961 IonicContact OE2-NZ 2.72Å; E801-K961 PolarHBondContact OE2-NZ 3.48Å; Y909-K961 PolarHBondContact N-O 2.53Å; Y909-K961 PolarHBondContact O-N 3.06Å; K961-I981 HydrophobicContact CB-CD1 3.66Å; K961-I981 HydrophobicContact CG-CD1 3.93Å; K961-I981 HydrophobicContact CG-CG1 4.31Å
962	I	97.5	Very high	95	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133	-174.4	-56.3	174.2	0	0	0	109	L731 I733 L800 V802 Y824 L906	L731-I962 HydrophobicContact CD2-CD1 4.23Å; L731-I962 HydrophobicContact CD2-CG2 4.11Å; I733-I962 HydrophobicContact CD1-CD1 4.45Å; L800-I962 HydrophobicContact CB-CB 4.3Å; L800-I962 HydrophobicContact CD2-CB 3.92Å; L800-I962 HydrophobicContact CD2-CD1 3.99Å; L800-I962 HydrophobicContact CD2-CG2 4.06Å; L800-I962 HydrophobicContact CG-CB 4.1Å; L800-I962 HydrophobicContact CG-CD1 4.21Å; L800-I962 PolarHBondContact O-N 3.16Å; V802-I962 HydrophobicContact CG2-CD1 3.58Å; V802-I962 HydrophobicContact CG2-CG1 4.48Å; Y824-I962 HydrophobicContact CD1-CD1 3.84Å; Y824-I962 HydrophobicContact CE1-CD1 3.35Å; Y824-I962 HydrophobicContact CE1-CG1 4.27Å; L906-I962 HydrophobicContact CD1-CG2 3.82Å
963	R	95.8	Very high	94.9	Very high	36 Å²	36	27.6 Å²	27.6	14%	0.136	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.1	177.2	-74.5	-133.6	55.8	154	0.7	110.1	S698 L906 A907 Y909 D965 I970	S698-R963 PolarHBondContact O-NH1 2.88Å; S698-R963 PolarHBondContact O-NH2 2.78Å; L906-R963 CarbonylContact C-O 3.58Å; L906-R963 WeakPolarHBondContact CA-O 3.49Å; A907-R963 HydrophobicContact CB-CB 4.32Å; A907-R963 PolarHBondContact N-O 2.83Å; A907-R963 PolarHBondContact O-N 2.8Å; Y909-R963 HydrophobicContact CD2-CG 4.28Å; Y909-R963 HydrophobicContact CE2-CB 4.03Å; Y909-R963 HydrophobicContact CE2-CG 3.82Å; R963-D965 IonicContact NH2-OD2 3.93Å; R963-I970 HydrophobicContact CB-CD1 3.91Å
964	F	94.6	Very high	94.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	120.2	178.6	-178.1	-88	0	0	0	108.7	I702 F704 M720 M729 L826 I904 G905 L906	I702-F964 HydrophobicContact CD1-CD1 4.27Å; I702-F964 HydrophobicContact CD1-CE1 4.13Å; I702-F964 HydrophobicContact CG1-CD1 3.97Å; I702-F964 HydrophobicContact CG1-CE1 4.35Å; I702-F964 HydrophobicContact CG2-CD1 4.05Å; F704-F964 HydrophobicContact CE1-CB 4.06Å; F704-F964 HydrophobicContact CZ-CB 3.9Å; M720-F964 HydrophobicContact CB-CD1 3.66Å; M720-F964 HydrophobicContact CB-CE1 3.51Å; M720-F964 HydrophobicContact CB-CG 4.49Å; M720-F964 HydrophobicContact CB-CZ 4.22Å; M720-F964 HydrophobicContact CE-CE1 4.38Å; M720-F964 HydrophobicContact CE-CE2 4.22Å; M720-F964 HydrophobicContact CE-CZ 4.03Å; M720-F964 HydrophobicContact CG-CD1 3.95Å; M720-F964 HydrophobicContact CG-CE1 4.16Å; M720-F964 HydrophobicContact CG-CG 4.31Å; M720-F964 HydrophobicContact SD-CB 4.03Å; M720-F964 HydrophobicContact SD-CD1 3.73Å; M720-F964 HydrophobicContact SD-CD2 3.75Å; M720-F964 HydrophobicContact SD-CE1 3.91Å; M720-F964 HydrophobicContact SD-CE2 3.93Å; M720-F964 HydrophobicContact SD-CG 3.59Å; M720-F964 VanDerWaalsContact SD-CG 3.59Å; M720-F964 HydrophobicContact SD-CZ 3.94Å; M729-F964 HydrophobicContact CB-CZ 4.04Å; M729-F964 HydrophobicContact CE-CE1 4.3Å; M729-F964 HydrophobicContact CE-CE2 4.03Å; M729-F964 HydrophobicContact CE-CZ 3.36Å; M729-F964 HydrophobicContact CG-CZ 4.41Å; M729-F964 HydrophobicContact SD-CE2 4.21Å; M729-F964 HydrophobicContact SD-CZ 3.81Å; L826-F964 HydrophobicContact CD1-CE2 4.22Å; L826-F964 HydrophobicContact CD2-CD2 4.34Å; L826-F964 HydrophobicContact CD2-CE2 3.8Å; I904-F964 HydrophobicContact CG2-CD1 3.99Å; I904-F964 HydrophobicContact CG2-CD2 3.84Å; I904-F964 HydrophobicContact CG2-CE1 3.66Å; I904-F964 HydrophobicContact CG2-CE2 3.48Å; I904-F964 VanDerWaalsContact CG2-CE2 3.48Å; I904-F964 HydrophobicContact CG2-CG 4.13Å; I904-F964 HydrophobicContact CG2-CZ 3.44Å; I904-F964 VanDerWaalsContact CG2-CZ 3.44Å; G905-F964 WeakPolarHBondContact O-CA 3.3Å; L906-F964 HydrophobicContact CB-CD2 4.06Å; L906-F964 HydrophobicContact CD1-CB 4.3Å; L906-F964 HydrophobicContact CD1-CD2 4.09Å
965	D	94.6	Very high	94.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	174.9	-174.4	-141.2	-43.4	0	0	0	110.3	S699 K700 T701 I702 I904 G905 R963 L967 I969 I970	S699-D965 WeakPolarHBondContact CA-OD2 3.36Å; K700-D965 PolarHBondContact N-OD2 3.35Å; T701-D965 PolarHBondContact OG1-OD1 2.97Å; I702-D965 HydrophobicContact CG1-CB 4.48Å; I904-D965 WeakPolarHBondContact CA-O 3.24Å; I904-D965 VanDerWaalsContact CG2-O 3.31Å; I904-D965 WeakPolarHBondContact CG2-O 3.47Å; G905-D965 PolarHBondContact N-O 2.81Å; G905-D965 PolarHBondContact O-N 2.65Å; R963-D965 IonicContact NH2-OD2 3.93Å; D965-L967 PolarHBondContact O-N 3.49Å; D965-I969 HydrophobicContact CB-CB 4.32Å; D965-I969 HydrophobicContact CB-CG2 4.23Å; D965-I970 HydrophobicContact CB-CD1 3.7Å; D965-I970 HydrophobicContact CB-CG1 3.8Å
966	E	93.7	Very high	94.7	Very high	44 Å²	44	26.7 Å²	26.7	21%	0.206	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.3	135.7	167.8	-74.3	-179.7	-138.5	0	0	110.4	T701 H722 I902 I904 Q968 I969 I970	T701-E966 WeakPolarHBondContact CG2-OE1 3.12Å; T701-E966 PolarHBondContact OG1-OE1 2.96Å; H722-E966 IonicContact NE2-OE1 3.89Å; H722-E966 PolarHBondContact NE2-OE1 2.75Å; I902-E966 HydrophobicContact CG2-CG 3.83Å; I904-E966 HydrophobicContact CD1-CG 4.33Å; E966-Q968 PolarHBondContact O-N 2.86Å; E966-Q968 VanDerWaalsContact O-N 3.15Å; E966-I969 HydrophobicContact CB-CD1 4.07Å; E966-I969 HydrophobicContact CB-CG1 4.3Å; E966-I969 WeakPolarHBondContact O-CA 3.4Å; E966-I969 WeakPolarHBondContact O-CB 3.22Å; E966-I969 PolarHBondContact O-N 3.01Å; E966-I970 PolarHBondContact O-N 3.08Å
967	L	94	Very high	94.6	Very high	14 Å²	14	27.5 Å²	27.5	7%	0.073	14%	0.137	C	C	.	.	H	α-helix	trans	-55.6	-40.6	-170.9	178.7	62.1	0	0	0	111.8	K885 N886 P903 D965 I969 I970 E971	K885-L967 HydrophobicContact CB-CD1 3.83Å; K885-L967 HydrophobicContact CB-CD2 4.48Å; K885-L967 HydrophobicContact CD-CD1 4.18Å; K885-L967 HydrophobicContact CG-CD1 3.84Å; N886-L967 WeakPolarHBondContact OD1-CD2 3.46Å; P903-L967 HydrophobicContact CB-CB 4.12Å; P903-L967 HydrophobicContact CB-CD2 4.3Å; P903-L967 WeakPolarHBondContact O-CB 3.49Å; P903-L967 PolarHBondContact O-N 2.65Å; D965-L967 PolarHBondContact O-N 3.49Å; L967-I969 VanDerWaalsContact C-N 3.28Å; L967-I969 PolarHBondContact O-N 3.37Å; L967-I970 PolarHBondContact O-N 2.67Å; L967-E971 HydrophobicContact CD1-CG 3.9Å; L967-E971 HydrophobicContact CG-CG 4.25Å; L967-E971 WeakPolarHBondContact O-CB 3.12Å; L967-E971 WeakPolarHBondContact O-CG 3.38Å; L967-E971 PolarHBondContact O-N 2.77Å
968	Q	91.9	Very high	94.6	Very high	144 Å²	144	27.1 Å²	27.1	67%	0.673	14%	0.136	S	C	*	.	H	α-helix	trans	-60.1	-37.8	177	-172.9	177.1	12.3	0	0	112.3	E966 S972	E966-Q968 PolarHBondContact O-N 2.86Å; E966-Q968 VanDerWaalsContact O-N 3.15Å; Q968-S972 VanDerWaalsContact O-CB 3.28Å; Q968-S972 WeakPolarHBondContact O-CB 3.43Å; Q968-S972 PolarHBondContact O-N 2.85Å; Q968-S972 PolarHBondContact O-OG 3.08Å
969	I	92.2	Very high	94.5	Very high	27 Å²	27	27 Å²	27	14%	0.138	14%	0.135	C	C	.	.	H	α-helix	trans	-69.9	-49.5	178	-64.3	171.8	0	0	0	109.7	K700 T701 D965 E966 L967 E971 S972 Q973	K700-I969 HydrophobicContact CB-CD1 3.82Å; K700-I969 HydrophobicContact CD-CD1 4.47Å; K700-I969 HydrophobicContact CD-CG2 4.34Å; K700-I969 HydrophobicContact CG-CG2 4.44Å; T701-I969 HydrophobicContact CG2-CD1 3.78Å; D965-I969 HydrophobicContact CB-CB 4.32Å; D965-I969 HydrophobicContact CB-CG2 4.23Å; E966-I969 HydrophobicContact CB-CD1 4.07Å; E966-I969 HydrophobicContact CB-CG1 4.3Å; E966-I969 WeakPolarHBondContact O-CA 3.4Å; E966-I969 WeakPolarHBondContact O-CB 3.22Å; E966-I969 PolarHBondContact O-N 3.01Å; L967-I969 VanDerWaalsContact C-N 3.28Å; L967-I969 PolarHBondContact O-N 3.37Å; I969-E971 VanDerWaalsContact C-N 3.33Å; I969-E971 PolarHBondContact O-N 3.18Å; I969-S972 PolarHBondContact O-N 2.88Å; I969-S972 PolarHBondContact O-OG 3.3Å; I969-Q973 WeakPolarHBondContact O-CG 3.38Å; I969-Q973 PolarHBondContact O-N 2.84Å; I969-Q973 VanDerWaalsContact O-N 3.09Å
970	I	93.7	Very high	94.4	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-55.9	-48	177.2	-66.8	-63.3	0	0	0	110.9	M883 A907 R963 D965 E966 L967 Q973 D974	M883-I970 HydrophobicContact CE-CG2 3.65Å; M883-I970 HydrophobicContact SD-CG2 3.93Å; A907-I970 HydrophobicContact CB-CG2 4.24Å; R963-I970 HydrophobicContact CB-CD1 3.91Å; D965-I970 HydrophobicContact CB-CD1 3.7Å; D965-I970 HydrophobicContact CB-CG1 3.8Å; E966-I970 PolarHBondContact O-N 3.08Å; L967-I970 PolarHBondContact O-N 2.67Å; I970-Q973 PolarHBondContact O-N 2.85Å; I970-D974 WeakPolarHBondContact O-CA 3.21Å; I970-D974 WeakPolarHBondContact O-CB 3.49Å; I970-D974 PolarHBondContact O-N 2.56Å
971	E	92.4	Very high	94.3	Very high	44 Å²	44	29 Å²	29	21%	0.206	15%	0.145	C	C	.	.	H	α-helix	trans	-66.1	-41.4	-179.5	-71.1	-173.4	138.1	0	0	112.6	K885 L967 I969 Q973	K885-E971 WeakPolarHBondContact CD-OE1 3.2Å; K885-E971 WeakPolarHBondContact CE-OE1 3.33Å; K885-E971 IonicContact NZ-OE1 3.43Å; K885-E971 PolarHBondContact NZ-OE1 3.29Å; L967-E971 HydrophobicContact CD1-CG 3.9Å; L967-E971 HydrophobicContact CG-CG 4.25Å; L967-E971 WeakPolarHBondContact O-CB 3.12Å; L967-E971 WeakPolarHBondContact O-CG 3.38Å; L967-E971 PolarHBondContact O-N 2.77Å; I969-E971 VanDerWaalsContact C-N 3.33Å; I969-E971 PolarHBondContact O-N 3.18Å; E971-Q973 VanDerWaalsContact C-N 3.29Å; E971-Q973 PolarHBondContact O-N 2.84Å
972	S	89.4	Confident	94.1	Very high	63 Å²	63	27.8 Å²	27.8	44%	0.441	14%	0.141	S	C	.	.	H	α-helix	trans	-65.4	-30.5	179.2	72.2	0	0	0	0	113.5	Q968 I969	Q968-S972 VanDerWaalsContact O-CB 3.28Å; Q968-S972 WeakPolarHBondContact O-CB 3.43Å; Q968-S972 PolarHBondContact O-N 2.85Å; Q968-S972 PolarHBondContact O-OG 3.08Å; I969-S972 PolarHBondContact O-N 2.88Å; I969-S972 PolarHBondContact O-OG 3.3Å
973	Q	91.3	Very high	94	Very high	49 Å²	49	28.1 Å²	28.1	23%	0.229	14%	0.142	C	C	.	.	H	α-helix	trans	-102.1	-7.5	-176.2	-62.2	-57.7	-54	0	0	113.6	I969 I970 E971 R975 I976 T977	I969-Q973 WeakPolarHBondContact O-CG 3.38Å; I969-Q973 PolarHBondContact O-N 2.84Å; I969-Q973 VanDerWaalsContact O-N 3.09Å; I970-Q973 PolarHBondContact O-N 2.85Å; E971-Q973 VanDerWaalsContact C-N 3.29Å; E971-Q973 PolarHBondContact O-N 2.84Å; Q973-R975 PolarHBondContact O-N 3.06Å; Q973-I976 PolarHBondContact O-N 2.98Å; Q973-T977 WeakPolarHBondContact O-CB 3.16Å; Q973-T977 PolarHBondContact O-N 2.72Å; Q973-T977 PolarHBondContact O-OG1 3.46Å
974	D	94.1	Very high	94	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.032	16%	0.156	C	C	.	.	H	α-helix	trans	-54.3	-54.9	-170.5	173.1	52.8	0	0	0	112.3	R881 M883 Y909 I970 I976 T977 S978	R881-D974 WeakPolarHBondContact CD-OD1 3.44Å; R881-D974 IonicContact CZ-OD2 2.72Å; R881-D974 VanDerWaalsContact NE-CG 3.31Å; R881-D974 IonicContact NE-OD1 3.09Å; R881-D974 PolarHBondContact NE-OD1 3.25Å; R881-D974 VanDerWaalsContact NE-OD1 3.08Å; R881-D974 IonicContact NE-OD2 3.96Å; R881-D974 PolarHBondContact NE-OD2 3.23Å; R881-D974 IonicContact NH2-OD2 3.53Å; R881-D974 PolarHBondContact NH2-OD2 2.84Å; R881-D974 VanDerWaalsContact NH2-OD2 3.11Å; M883-D974 HydrophobicContact CE-CB 4.02Å; M883-D974 WeakPolarHBondContact CE-OD1 3.44Å; Y909-D974 WeakPolarHBondContact OH-CA 3.45Å; Y909-D974 PolarHBondContact OH-OD1 3Å; I970-D974 WeakPolarHBondContact O-CA 3.21Å; I970-D974 WeakPolarHBondContact O-CB 3.49Å; I970-D974 PolarHBondContact O-N 2.56Å; D974-I976 PolarHBondContact O-N 3.29Å; D974-T977 PolarHBondContact O-N 3.09Å; D974-S978 WeakPolarHBondContact O-CB 3.3Å; D974-S978 PolarHBondContact O-N 2.78Å
975	R	93.8	Very high	94.2	Very high	12 Å²	12	30.6 Å²	30.6	5%	0.045	16%	0.161	C	C	.	.	H	α-helix	trans	-68.6	-38.4	-174.3	-66	-171.3	64.5	-160.7	2.3	111.3	Q973 S978 Q979 E1044 N1045 L1046	Q973-R975 PolarHBondContact O-N 3.06Å; R975-S978 PolarHBondContact O-N 2.6Å; R975-S978 PolarHBondContact O-OG 2.82Å; R975-Q979 WeakPolarHBondContact O-CG 3.48Å; R975-Q979 PolarHBondContact O-N 2.86Å; R975-E1044 IonicContact CZ-OE1 2.65Å; R975-E1044 IonicContact NH2-OE1 3.22Å; R975-E1044 PolarHBondContact NH2-OE1 3.16Å; R975-E1044 IonicContact NH2-OE2 3.82Å; R975-N1045 PolarHBondContact NH1-O 3.05Å; R975-L1046 HydrophobicContact CB-CB 4.08Å; R975-L1046 HydrophobicContact CB-CD1 4.21Å; R975-L1046 HydrophobicContact CB-CD2 4.34Å; R975-L1046 HydrophobicContact CB-CG 4.46Å; R975-L1046 VanDerWaalsContact CD-O 3.31Å; R975-L1046 WeakPolarHBondContact CD-O 3.31Å; R975-L1046 VanDerWaalsContact NH1-CA 3.34Å; R975-L1046 PolarHBondContact NH1-O 2.9Å; R975-L1046 VanDerWaalsContact NH2-CD2 3.34Å
976	I	94.4	Very high	94.3	Very high	17 Å²	17	31.6 Å²	31.6	9%	0.087	17%	0.166	C	C	.	.	H	α-helix	trans	-62.4	-50.5	176.1	-58.8	171.8	0	0	0	109.9	W543 Q973 D974 S978 Q979 I980 D1013 L1046	W543-I976 HydrophobicContact CE3-CG2 4.28Å; W543-I976 HydrophobicContact CH2-CB 4.4Å; W543-I976 HydrophobicContact CH2-CG2 4.03Å; W543-I976 HydrophobicContact CZ3-CG2 3.76Å; Q973-I976 PolarHBondContact O-N 2.98Å; D974-I976 PolarHBondContact O-N 3.29Å; I976-S978 VanDerWaalsContact C-N 3.3Å; I976-S978 PolarHBondContact O-N 2.81Å; I976-Q979 PolarHBondContact O-N 2.86Å; I976-I980 HydrophobicContact CG2-CD1 4.01Å; I976-I980 PolarHBondContact O-N 2.8Å; I976-D1013 HydrophobicContact CD1-CB 4.11Å; I976-D1013 WeakPolarHBondContact CG1-O 3.42Å; I976-L1046 HydrophobicContact CG1-CD1 4.15Å
977	T	94.8	Very high	94.5	Very high	20 Å²	20	30.7 Å²	30.7	12%	0.123	16%	0.164	C	C	.	.	H	α-helix	trans	-57.7	-43.3	177.9	-56	0	0	0	0	111.2	Y909 Q973 D974 Q979 I980 I981	Y909-T977 HydrophobicContact CD1-CG2 4.31Å; Y909-T977 HydrophobicContact CD2-CG2 3.9Å; Y909-T977 HydrophobicContact CE1-CG2 4.02Å; Y909-T977 HydrophobicContact CE2-CG2 3.58Å; Y909-T977 HydrophobicContact CG-CG2 4.28Å; Q973-T977 WeakPolarHBondContact O-CB 3.16Å; Q973-T977 PolarHBondContact O-N 2.72Å; Q973-T977 PolarHBondContact O-OG1 3.46Å; D974-T977 PolarHBondContact O-N 3.09Å; T977-Q979 VanDerWaalsContact C-N 3.28Å; T977-Q979 PolarHBondContact O-N 2.91Å; T977-I980 PolarHBondContact O-N 2.77Å; T977-I981 HydrophobicContact CG2-CD1 3.74Å; T977-I981 WeakPolarHBondContact O-CG1 3.26Å; T977-I981 PolarHBondContact O-N 2.74Å; T977-I981 VanDerWaalsContact O-N 3.08Å
978	S	96.5	Very high	94.6	Very high	1 Å²	1	30 Å²	30	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-60.6	-34.7	177.4	77.5	0	0	0	0	113.1	D974 R975 I976 S982	D974-S978 WeakPolarHBondContact O-CB 3.3Å; D974-S978 PolarHBondContact O-N 2.78Å; R975-S978 PolarHBondContact O-N 2.6Å; R975-S978 PolarHBondContact O-OG 2.82Å; I976-S978 VanDerWaalsContact C-N 3.3Å; I976-S978 PolarHBondContact O-N 2.81Å; S978-S982 WeakPolarHBondContact O-CB 3.48Å; S978-S982 PolarHBondContact O-N 2.94Å; S978-S982 VanDerWaalsContact O-N 3.08Å; S978-S982 PolarHBondContact O-OG 3.34Å
979	Q	96.1	Very high	94.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-74.4	-42.6	177.4	-59.9	-40	-47.7	0	0	112	Y163 W543 R975 I976 T977 I981 S982 K983 L1046	Y163-Q979 PolarHBondContact OH-OE1 2.63Å; W543-Q979 HydrophobicContact CH2-CB 3.79Å; W543-Q979 HydrophobicContact CH2-CG 3.95Å; W543-Q979 HydrophobicContact CZ3-CB 3.82Å; W543-Q979 HydrophobicContact CZ3-CG 4.48Å; R975-Q979 WeakPolarHBondContact O-CG 3.48Å; R975-Q979 PolarHBondContact O-N 2.86Å; I976-Q979 PolarHBondContact O-N 2.86Å; T977-Q979 VanDerWaalsContact C-N 3.28Å; T977-Q979 PolarHBondContact O-N 2.91Å; Q979-I981 VanDerWaalsContact C-N 3.28Å; Q979-I981 PolarHBondContact O-N 2.9Å; Q979-S982 PolarHBondContact O-N 2.93Å; Q979-K983 PolarHBondContact O-N 3.32Å; Q979-L1046 HydrophobicContact CG-CD1 3.98Å
980	I	95.3	Very high	95	Very high	59 Å²	59	21.9 Å²	21.9	30%	0.303	12%	0.122	S	C	.	.	H	α-helix	trans	-58.5	-43.5	177.9	-67	171.8	0	0	0	110.7	L541 W543 I976 T977 K983	L541-I980 HydrophobicContact CD1-CG1 4.08Å; W543-I980 HydrophobicContact CE3-CG1 4.22Å; W543-I980 HydrophobicContact CZ3-CG1 4.04Å; I976-I980 HydrophobicContact CG2-CD1 4.01Å; I976-I980 PolarHBondContact O-N 2.8Å; T977-I980 PolarHBondContact O-N 2.77Å; I980-K983 CarbonylContact O-C 3.58Å
981	I	95.5	Very high	95	Very high	31 Å²	31	24.5 Å²	24.5	16%	0.159	14%	0.135	C	C	.	.	H	α-helix	trans	-72.7	-35.3	179.3	-65.1	169.1	0	0	0	111.6	Y909 K961 T977 Q979 K983	Y909-I981 HydrophobicContact CD1-CD1 4.07Å; Y909-I981 HydrophobicContact CD2-CD1 3.92Å; Y909-I981 HydrophobicContact CG-CD1 3.49Å; Y909-I981 VanDerWaalsContact CG-CD1 3.49Å; K961-I981 HydrophobicContact CB-CD1 3.66Å; K961-I981 HydrophobicContact CG-CD1 3.93Å; K961-I981 HydrophobicContact CG-CG1 4.31Å; T977-I981 HydrophobicContact CG2-CD1 3.74Å; T977-I981 WeakPolarHBondContact O-CG1 3.26Å; T977-I981 PolarHBondContact O-N 2.74Å; T977-I981 VanDerWaalsContact O-N 3.08Å; Q979-I981 VanDerWaalsContact C-N 3.28Å; Q979-I981 PolarHBondContact O-N 2.9Å; I981-K983 VanDerWaalsContact C-N 3.33Å; I981-K983 PolarHBondContact O-N 2.84Å
982	S	94.9	Very high	95.1	Very high	8 Å²	8	22.6 Å²	22.6	6%	0.056	13%	0.126	C	C	.	.	H	α-helix	trans	-72.4	-23.3	179.2	-70.5	0	0	0	0	114	R406 N880 S978 Q979	R406-S982 PolarHBondContact NH2-OG 2.57Å; N880-S982 PolarHBondContact ND2-OG 2.82Å; S978-S982 WeakPolarHBondContact O-CB 3.48Å; S978-S982 PolarHBondContact O-N 2.94Å; S978-S982 VanDerWaalsContact O-N 3.08Å; S978-S982 PolarHBondContact O-OG 3.34Å; Q979-S982 PolarHBondContact O-N 2.93Å
983	K	95.5	Very high	95.2	Very high	14 Å²	14	23.3 Å²	23.3	6%	0.061	12%	0.121	C	C	.	.	S	Bend	trans	-129.7	67.8	-178.3	-65.7	-69.7	-175	179	0	109.7	S409 N410 S413 P540 L541 Q979 I980 I981	S409-K983 PolarHBondContact O-NZ 2.91Å; S409-K983 PolarHBondContact OG-NZ 2.73Å; S409-K983 VanDerWaalsContact OG-NZ 3.16Å; N410-K983 HydrophobicContact CB-CD 4.42Å; N410-K983 VanDerWaalsContact OD1-CD 3.26Å; N410-K983 WeakPolarHBondContact OD1-CD 3.35Å; S413-K983 PolarHBondContact OG-NZ 2.93Å; P540-K983 HydrophobicContact CG-CB 4.03Å; L541-K983 HydrophobicContact CD2-CB 3.94Å; L541-K983 HydrophobicContact CD2-CG 4.32Å; L541-K983 HydrophobicContact CG-CB 4.29Å; Q979-K983 PolarHBondContact O-N 3.32Å; I980-K983 CarbonylContact O-C 3.58Å; I981-K983 VanDerWaalsContact C-N 3.33Å; I981-K983 PolarHBondContact O-N 2.84Å
984	P	95.8	Very high	94.9	Very high	66 Å²	66	25.1 Å²	25.1	43%	0.429	13%	0.127	S	C	.	.			trans	-63.8	159.4	-178.2	28.4	-35.6	0	0	0	111.4	N410 I986	N410-P984 PolarHBondContact ND2-O 3.1Å; P984-I986 PolarHBondContact O-N 2.94Å
985	I	97.5	Very high	94.4	Very high	22 Å²	22	27.2 Å²	27.2	11%	0.113	14%	0.136	C	C	.	.			trans	-58.9	134.6	173.6	-60.1	-55.2	0	0	0	110.1	L537 Y538 N539 Q545 T548 I550 L637 P987	L537-I985 HydrophobicContact CB-CG2 3.7Å; L537-I985 HydrophobicContact CD1-CG2 4.41Å; L537-I985 HydrophobicContact CD2-CG2 4.13Å; L537-I985 HydrophobicContact CG-CG2 4.29Å; Y538-I985 WeakPolarHBondContact O-CA 3.2Å; N539-I985 HydrophobicContact CB-CD1 3.65Å; Q545-I985 HydrophobicContact CG-CD1 4.43Å; T548-I985 HydrophobicContact CG2-CG1 3.82Å; I550-I985 HydrophobicContact CD1-CB 4.39Å; I550-I985 HydrophobicContact CD1-CG2 4.3Å; L637-I985 HydrophobicContact CD1-CD1 3.59Å; L637-I985 HydrophobicContact CD1-CG1 3.66Å; L637-I985 HydrophobicContact CD1-CG2 4.25Å; I985-P987 WeakPolarHBondContact O-CD 3.32Å
986	I	97.6	Very high	93.9	Very high	20 Å²	20	26.7 Å²	26.7	10%	0.103	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	112.5	179.3	-55.1	175	0	0	0	108.6	N410 M414 Y538 P984 L988	N410-I986 WeakPolarHBondContact ND2-CG1 3.47Å; M414-I986 HydrophobicContact CB-CD1 3.81Å; M414-I986 HydrophobicContact CG-CD1 4.47Å; M414-I986 HydrophobicContact SD-CB 4.4Å; M414-I986 HydrophobicContact SD-CD1 3.99Å; M414-I986 HydrophobicContact SD-CG2 4.14Å; Y538-I986 HydrophobicContact CD1-CD1 4.37Å; Y538-I986 PolarHBondContact N-O 3Å; Y538-I986 PolarHBondContact O-N 2.92Å; P984-I986 PolarHBondContact O-N 2.94Å; I986-L988 WeakPolarHBondContact O-CD1 3.42Å
987	P	97.5	Very high	92.8	Very high	25 Å²	25	34.5 Å²	34.5	16%	0.162	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	132.6	173.6	32.9	-34.1	0	0	0	111	L510 L537 I985 F989	L510-P987 HydrophobicContact CD1-CG 3.39Å; L537-P987 HydrophobicContact CD2-CB 3.83Å; I985-P987 WeakPolarHBondContact O-CD 3.32Å; P987-F989 HydrophobicContact CB-CE2 4.04Å; P987-F989 HydrophobicContact CB-CZ 3.84Å; P987-F989 HydrophobicContact CG-CE2 4.47Å; P987-F989 HydrophobicContact CG-CZ 4.45Å
988	L	97.2	Very high	91.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	158.9	169.3	-48.7	95.2	0	0	0	109.2	M414 I484 V504 F506 I536 F642 I986	M414-L988 HydrophobicContact CE-CD1 3.79Å; M414-L988 HydrophobicContact CE-CD2 3.75Å; M414-L988 HydrophobicContact CE-CG 4.39Å; M414-L988 HydrophobicContact SD-CD1 4.35Å; M414-L988 HydrophobicContact SD-CD2 4.44Å; I484-L988 HydrophobicContact CG2-CD2 3.92Å; V504-L988 HydrophobicContact CG1-CB 3.8Å; V504-L988 HydrophobicContact CG1-CD2 3.71Å; V504-L988 HydrophobicContact CG1-CG 4.42Å; F506-L988 HydrophobicContact CD1-CD2 4.12Å; F506-L988 HydrophobicContact CD1-CG 4.45Å; F506-L988 HydrophobicContact CE1-CD2 3.36Å; F506-L988 HydrophobicContact CE1-CG 4.07Å; F506-L988 HydrophobicContact CE2-CD2 4.07Å; F506-L988 HydrophobicContact CZ-CD2 3.34Å; F506-L988 HydrophobicContact CZ-CG 4.45Å; I536-L988 HydrophobicContact CB-CB 4.21Å; I536-L988 HydrophobicContact CG2-CD1 4.46Å; I536-L988 PolarHBondContact N-O 3.09Å; I536-L988 WeakPolarHBondContact O-CD1 3.35Å; I536-L988 PolarHBondContact O-N 3.43Å; F642-L988 HydrophobicContact CD1-CD1 4.47Å; F642-L988 HydrophobicContact CE1-CD1 4.1Å; I986-L988 WeakPolarHBondContact O-CD1 3.42Å
989	F	96.5	Very high	89.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	148.9	-175.6	-51.1	-93.8	0	0	0	112.4	V504 I505 C507 C515 A517 T518 V533 F534 I535 L552 P987	V504-F989 CarbonylContact C-O 3.55Å; V504-F989 WeakPolarHBondContact CA-O 2.96Å; I505-F989 HydrophobicContact CB-CB 4.28Å; I505-F989 PolarHBondContact N-O 3.45Å; I505-F989 PolarHBondContact O-N 3.28Å; C507-F989 HydrophobicContact CB-CE2 3.99Å; C515-F989 VanDerWaalsContact SG-CE2 3.54Å; A517-F989 HydrophobicContact CB-CB 3.22Å; A517-F989 HydrophobicContact CB-CD1 3.94Å; A517-F989 HydrophobicContact CB-CD2 3.88Å; A517-F989 HydrophobicContact CB-CG 3.4Å; A517-F989 VanDerWaalsContact CB-CG 3.4Å; T518-F989 HydrophobicContact CG2-CE1 4.41Å; V533-F989 HydrophobicContact CG2-CB 3.94Å; V533-F989 HydrophobicContact CG2-CD1 4.16Å; F534-F989 VanDerWaalsContact O-CA 3.23Å; F534-F989 WeakPolarHBondContact O-CA 3.46Å; I535-F989 HydrophobicContact CB-CD1 4.49Å; I535-F989 HydrophobicContact CB-CE1 4.43Å; I535-F989 HydrophobicContact CG1-CD1 4.04Å; I535-F989 HydrophobicContact CG1-CE1 3.95Å; I535-F989 HydrophobicContact CG2-CE1 4.12Å; L552-F989 HydrophobicContact CD1-CE1 3.89Å; L552-F989 HydrophobicContact CD1-CZ 4.31Å; L552-F989 HydrophobicContact CD2-CE1 4.05Å; L552-F989 HydrophobicContact CD2-CZ 3.6Å; P987-F989 HydrophobicContact CB-CE2 4.04Å; P987-F989 HydrophobicContact CB-CZ 3.84Å; P987-F989 HydrophobicContact CG-CE2 4.47Å; P987-F989 HydrophobicContact CG-CZ 4.45Å
990	I	95	Very high	88.1	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	134.6	169	-54.4	178.3	0	0	0	108	L488 I489 I499 V504 F534 I536 A992	L488-I990 HydrophobicContact CD2-CD1 4.22Å; I489-I990 HydrophobicContact CD1-CD1 4.16Å; I499-I990 HydrophobicContact CB-CG2 3.99Å; I499-I990 HydrophobicContact CG2-CB 4.4Å; I499-I990 HydrophobicContact CG2-CG2 3.62Å; V504-I990 HydrophobicContact CG2-CD1 4.04Å; V504-I990 HydrophobicContact CG2-CG1 4.11Å; F534-I990 HydrophobicContact CB-CB 4.44Å; F534-I990 PolarHBondContact N-O 2.95Å; F534-I990 PolarHBondContact O-N 2.88Å; F534-I990 VanDerWaalsContact O-N 3.12Å; I536-I990 HydrophobicContact CD1-CD1 3.62Å; I536-I990 HydrophobicContact CD1-CG1 3.87Å; I990-A992 PolarHBondContact O-N 3.15Å
991	Q	94.5	Very high	86.8	Confident	57 Å²	57	39.4 Å²	39.4	27%	0.266	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	128.5	173.7	-80.1	-70.5	30.8	0	0	111.1	R522 G532	R522-Q991 PolarHBondContact O-NE2 3.42Å; G532-Q991 PolarHBondContact O-OE1 3.5Å
992	A	93.2	Very high	85.9	Confident	3 Å²	3	42.4 Å²	42.4	3%	0.025	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-88.6	138.1	-178.4	0	0	0	0	0	110.5	G531 G532 F534 Y646 I990	G531-A992 CarbonylContact C-O 3.58Å; G531-A992 VanDerWaalsContact CA-O 3.28Å; G531-A992 WeakPolarHBondContact CA-O 3.41Å; G532-A992 WeakPolarHBondContact O-CA 3.42Å; G532-A992 VanDerWaalsContact O-CB 3.27Å; G532-A992 WeakPolarHBondContact O-CB 3.2Å; G532-A992 PolarHBondContact O-N 3.1Å; F534-A992 HydrophobicContact CD2-CB 3.68Å; F534-A992 HydrophobicContact CE2-CB 3.39Å; F534-A992 HydrophobicContact CG-CB 4.4Å; F534-A992 HydrophobicContact CZ-CB 3.87Å; Y646-A992 HydrophobicContact CD2-CB 4.21Å; Y646-A992 HydrophobicContact CE2-CB 3.72Å; I990-A992 PolarHBondContact O-N 3.15Å
993	K	91.6	Very high	85.6	Confident	79 Å²	79	43.6 Å²	43.6	34%	0.343	22%	0.223	S	C	.	.	S	Bend	trans	-84.2	-46.2	169.1	-168.4	-177.4	179.6	-161	0	110.3	F498 E500 Q530 G531	F498-K993 VanDerWaalsContact O-CB 3.31Å; F498-K993 WeakPolarHBondContact O-CB 3.37Å; F498-K993 PolarHBondContact O-N 3.44Å; E500-K993 HydrophobicContact CG-CB 3.76Å; E500-K993 HydrophobicContact CG-CD 4.34Å; E500-K993 HydrophobicContact CG-CG 3.93Å; Q530-K993 WeakPolarHBondContact CB-O 3.37Å; G531-K993 PolarHBondContact N-O 2.82Å
994	Y	85.4	Confident	85.5	Confident	87 Å²	87	44 Å²	44	34%	0.341	22%	0.224	S	C	.	.	S	Bend	trans	-139.3	149.1	-179.7	-51.6	-71.2	0	0	0	110.7	F498 Q530	F498-Y994 PolarHBondContact O-N 3.44Å; Q530-Y994 HydrophobicContact CB-CD1 4.4Å; Q530-Y994 HydrophobicContact CG-CD1 3.85Å; Q530-Y994 HydrophobicContact CG-CE1 3.83Å
995	Q	84.3	Confident	85.4	Confident	49 Å²	49	42.2 Å²	42.2	23%	0.229	21%	0.212	C	C	.	.			trans	-68.4	132.1	165.3	-179.6	165.3	46.4	0	0	110.7	Y646	Y646-Q995 HydrophobicContact CD1-CG 4.1Å; Y646-Q995 HydrophobicContact CE1-CB 3.95Å; Y646-Q995 HydrophobicContact CE1-CG 3.84Å; Y646-Q995 HydrophobicContact CE2-CB 4.19Å
996	P	81.9	Confident	85.3	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.006	21%	0.207	C	C	.	.			trans	-68.2	132.3	170.6	-18.8	32	0	0	0	112.1	F498 F534 L572 L575 V1001	F498-P996 HydrophobicContact CD1-CB 4.25Å; F498-P996 HydrophobicContact CD1-CG 4.01Å; F498-P996 HydrophobicContact CD2-CG 4.32Å; F498-P996 HydrophobicContact CE1-CB 3.97Å; F498-P996 HydrophobicContact CE1-CG 4.24Å; F498-P996 HydrophobicContact CE2-CB 4.42Å; F498-P996 HydrophobicContact CG-CG 4.06Å; F498-P996 HydrophobicContact CZ-CB 4.05Å; F498-P996 HydrophobicContact CZ-CG 4.48Å; F534-P996 HydrophobicContact CE1-CG 3.77Å; F534-P996 HydrophobicContact CZ-CG 3.97Å; L572-P996 HydrophobicContact CD1-CG 4.2Å; L572-P996 HydrophobicContact CD2-CB 4.48Å; L572-P996 HydrophobicContact CD2-CG 4.19Å; L575-P996 HydrophobicContact CD1-CB 4.4Å; P996-V1001 HydrophobicContact CB-CG2 4.08Å; P996-V1001 HydrophobicContact CG-CG2 4.05Å
997	E	72.9	Confident	85.2	Confident	182 Å²	182	40.4 Å²	40.4	85%	0.85	20%	0.203	S	C	*	.			trans	-91.1	-16.3	-177.8	-65.1	-175	170.4	0	0	114.5
998	S	62.6	Low	85.2	Confident	13 Å²	13	42.8 Å²	42.8	9%	0.091	22%	0.215	C	C	.	.	S	Bend	trans	-145.6	176.2	-177.2	55.6	0	0	0	0	112	L575 Q1000	L575-S998 WeakPolarHBondContact CD1-O 3.41Å; S998-Q1000 PolarHBondContact O-N 2.81Å; S998-Q1000 WeakPolarHBondContact OG-CG 3.34Å; S998-Q1000 PolarHBondContact OG-NE2 3.14Å
999	I	62.9	Low	85	Confident	64 Å²	64	48.5 Å²	48.5	33%	0.328	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	53.8	173	-46.9	167	0	0	0	111.5	L575 P576 V1001 N1002	L575-I999 HydrophobicContact CB-CG1 4.1Å; L575-I999 WeakPolarHBondContact O-CD1 3.47Å; L575-I999 WeakPolarHBondContact O-CG1 3.26Å; P576-I999 PolarHBondContact O-N 2.84Å; I999-V1001 VanDerWaalsContact C-N 3.32Å; I999-N1002 VanDerWaalsContact CG2-OD1 3.28Å; I999-N1002 WeakPolarHBondContact CG2-OD1 3.25Å
1000	Q	61.7	Low	84.9	Confident	105 Å²	105	50.6 Å²	50.6	49%	0.491	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-17.7	169.6	-71.7	178.8	19.5	0	0	110.8	T494 F498 S998	T494-Q1000 WeakPolarHBondContact CB-O 3.31Å; T494-Q1000 WeakPolarHBondContact CG2-O 3.46Å; F498-Q1000 HydrophobicContact CE2-CB 4.3Å; F498-Q1000 HydrophobicContact CZ-CB 4.31Å; S998-Q1000 PolarHBondContact O-N 2.81Å; S998-Q1000 WeakPolarHBondContact OG-CG 3.34Å; S998-Q1000 PolarHBondContact OG-NE2 3.14Å
1001	V	68	Low	85.1	Confident	1 Å²	1	51 Å²	51	1%	0.006	26%	0.263	C	S	.	.			trans	-122.8	101	-169.8	-158.5	0	0	0	0	110.9	L495 F498 L644 P996 I999	L495-V1001 HydrophobicContact CD2-CG1 3.52Å; L495-V1001 HydrophobicContact CG-CG1 3.75Å; F498-V1001 HydrophobicContact CD2-CG2 3.89Å; F498-V1001 HydrophobicContact CE2-CG2 3.64Å; F498-V1001 HydrophobicContact CZ-CG2 4.47Å; L644-V1001 HydrophobicContact CD1-CB 4.48Å; L644-V1001 HydrophobicContact CD1-CG1 3.34Å; P996-V1001 HydrophobicContact CB-CG2 4.08Å; P996-V1001 HydrophobicContact CG-CG2 4.05Å; I999-V1001 VanDerWaalsContact C-N 3.32Å
1002	N	77.8	Confident	85.1	Confident	94 Å²	94	50.2 Å²	50.2	50%	0.503	26%	0.263	S	S	.	.			trans	-95.9	154.5	173.3	-71.1	-20.6	0	0	0	111.4	L644 I999	L644-N1002 WeakPolarHBondContact CD1-O 3.48Å; I999-N1002 VanDerWaalsContact CG2-OD1 3.28Å; I999-N1002 WeakPolarHBondContact CG2-OD1 3.25Å
1003	G	87.9	Confident	84.9	Confident	33 Å²	33	54.4 Å²	54.4	34%	0.34	29%	0.285	S	S	.	.			trans	-68.3	-176	167.2	0	0	0	0	0	113	F642	F642-G1003 CarbonylContact O-C 3.6Å; F642-G1003 WeakPolarHBondContact O-CA 3.37Å
1004	W	93.2	Very high	85	Confident	21 Å²	21	52.3 Å²	52.3	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	151.6	177.5	174.4	92.5	0	0	0	110.4	H421 L491 L492 I640 G641 F642 G1006	H421-W1004 HydrophobicContact CB-CH2 4.06Å; H421-W1004 HydrophobicContact CB-CZ2 3.79Å; H421-W1004 AromaticContact CD2-CH2 3.44Å; H421-W1004 VanDerWaalsContact CD2-CH2 3.44Å; H421-W1004 WeakPolarHBondContact CD2-CH2 3.4Å; H421-W1004 AromaticContact CD2-CZ2 3.76Å; H421-W1004 AromaticContact CG-CH2 3.73Å; H421-W1004 AromaticContact CG-CZ2 3.57Å; H421-W1004 AromaticContact ND1-CZ2 3.97Å; L491-W1004 HydrophobicContact CB-CD2 4.32Å; L491-W1004 HydrophobicContact CB-CG 4.2Å; L491-W1004 HydrophobicContact CD1-CD2 4.26Å; L491-W1004 HydrophobicContact CD1-CE3 4.23Å; L491-W1004 HydrophobicContact CD1-CH2 4.15Å; L491-W1004 HydrophobicContact CD1-CZ2 4.21Å; L491-W1004 HydrophobicContact CD1-CZ3 4.17Å; L491-W1004 HydrophobicContact CD2-CD2 4.3Å; L491-W1004 HydrophobicContact CD2-CZ2 3.84Å; L492-W1004 HydrophobicContact CD2-CB 3.71Å; I640-W1004 VanDerWaalsContact O-CZ3 3.29Å; I640-W1004 WeakPolarHBondContact O-CZ3 3.45Å; G641-W1004 CarbonylContact C-O 3.58Å; G641-W1004 WeakPolarHBondContact CA-O 3.45Å; F642-W1004 HydrophobicContact CD2-CB 4.37Å; F642-W1004 HydrophobicContact CD2-CD2 4.34Å; F642-W1004 AromaticContact CD2-CE3 3.55Å; F642-W1004 HydrophobicContact CD2-CE3 3.55Å; F642-W1004 HydrophobicContact CD2-CZ3 4.2Å; F642-W1004 AromaticContact CE2-CE3 3.86Å; F642-W1004 HydrophobicContact CE2-CE3 3.86Å; F642-W1004 HydrophobicContact CE2-CZ3 4.07Å; F642-W1004 PolarHBondContact N-O 3.03Å; F642-W1004 PolarHBondContact O-N 3.34Å; W1004-G1006 VanDerWaalsContact CH2-CA 3.5Å
1005	T	95	Very high	85.5	Confident	29 Å²	29	48.1 Å²	48.1	18%	0.178	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	142.3	173.7	177	0	0	0	0	109.6	P639 I640 I1007 K1067	P639-T1005 PolarHBondContact O-OG1 2.62Å; I640-T1005 CarbonylContact O-C 3.6Å; I640-T1005 WeakPolarHBondContact O-CA 3.43Å; T1005-I1007 WeakPolarHBondContact CG2-O 3.43Å; T1005-I1007 PolarHBondContact OG1-N 3.3Å; T1005-I1007 PolarHBondContact OG1-O 2.94Å; T1005-I1007 VanDerWaalsContact OG1-O 3.06Å; T1005-K1067 WeakPolarHBondContact O-CD 3.35Å
1006	G	94.9	Very high	86.1	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	-84.9	-12.2	177.9	0	0	0	0	0	114.4	H421 I640 W1004 K1067	H421-G1006 PolarHBondContact CE1-O 3Å; H421-G1006 VanDerWaalsContact NE2-CA 3.33Å; H421-G1006 WeakPolarHBondContact NE2-CA 3.27Å; H421-G1006 PolarHBondContact NE2-O 3.07Å; I640-G1006 PolarHBondContact O-N 3.36Å; W1004-G1006 VanDerWaalsContact CH2-CA 3.5Å; G1006-K1067 WeakPolarHBondContact O-CB 3.44Å; G1006-K1067 PolarHBondContact O-N 2.88Å
1007	I	96.2	Very high	86.9	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.021	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-126.4	145.2	176.3	59.8	176.6	0	0	0	111.1	P639 I640 T1005 I1009 L1011 L1065	P639-I1007 HydrophobicContact CB-CD1 3.71Å; P639-I1007 HydrophobicContact CB-CG1 3.97Å; P639-I1007 HydrophobicContact CG-CD1 3.79Å; P639-I1007 HydrophobicContact CG-CG1 3.68Å; I640-I1007 HydrophobicContact CD1-CD1 4.38Å; I640-I1007 HydrophobicContact CD1-CG1 4.48Å; I640-I1007 HydrophobicContact CD1-CG2 3.74Å; T1005-I1007 WeakPolarHBondContact CG2-O 3.43Å; T1005-I1007 PolarHBondContact OG1-N 3.3Å; T1005-I1007 PolarHBondContact OG1-O 2.94Å; T1005-I1007 VanDerWaalsContact OG1-O 3.06Å; I1007-I1009 WeakPolarHBondContact CD1-O 3.29Å; I1007-L1011 HydrophobicContact CD1-CG 4.4Å; I1007-L1065 CarbonylContact C-O 3.49Å; I1007-L1065 WeakPolarHBondContact CA-O 3.22Å; I1007-L1065 HydrophobicContact CB-CD1 4.21Å; I1007-L1065 WeakPolarHBondContact CB-O 3.21Å; I1007-L1065 HydrophobicContact CG2-CD1 4.4Å; I1007-L1065 HydrophobicContact CG2-CG 4.24Å
1008	N	95.7	Very high	88.1	Confident	76 Å²	76	38.4 Å²	38.4	41%	0.406	22%	0.215	S	C	.	.	S	Bend	trans	-77.1	-24.7	-176	-68.2	-32.7	0	0	0	112.9	N1064 L1065	N1008-N1064 WeakPolarHBondContact CB-O 3.35Å; N1008-N1064 PolarHBondContact ND2-O 2.79Å; N1008-L1065 PolarHBondContact N-O 2.99Å
1009	I	93.6	Very high	89.7	Confident	120 Å²	120	38.1 Å²	38.1	62%	0.615	21%	0.213	S	C	*	.	S	Bend	trans	-137.9	131.5	-177	-54.2	176.3	0	0	0	107.8	I1007	I1007-I1009 WeakPolarHBondContact CD1-O 3.29Å
1010	A	95.6	Very high	91.4	Very high	43 Å²	43	35.2 Å²	35.2	36%	0.355	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-62.4	138.8	172.7	0	0	0	0	0	110.5	E544 P639	E544-A1010 HydrophobicContact CB-CB 4.43Å; P639-A1010 HydrophobicContact CG-CB 4.01Å
1011	L	97.4	Very high	93.1	Very high	11 Å²	11	30.3 Å²	30.3	6%	0.058	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-69.1	149.5	175.3	-62.3	-178.3	0	0	0	110.1	G542 I1007 I1015 L1017 L1043 L1060 L1065	G542-L1011 WeakPolarHBondContact O-CB 3.42Å; G542-L1011 PolarHBondContact O-N 2.93Å; I1007-L1011 HydrophobicContact CD1-CG 4.4Å; L1011-I1015 HydrophobicContact CD1-CG2 4.37Å; L1011-L1017 HydrophobicContact CD1-CB 3.77Å; L1011-L1043 HydrophobicContact CD1-CD2 4.06Å; L1011-L1060 HydrophobicContact CD2-CD1 4.11Å; L1011-L1060 HydrophobicContact CD2-CD2 3.83Å; L1011-L1065 HydrophobicContact CD2-CD1 3.91Å; L1011-L1065 HydrophobicContact CD2-CD2 4.08Å
1012	P	95	Very high	94.3	Very high	40 Å²	40	30.2 Å²	30.2	26%	0.26	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-52.9	144.4	167.5	-22.6	32.2	0	0	0	110.9	W543 H1014 I1015	W543-P1012 PolarHBondContact NE1-O 3.04Å; W543-P1012 VanDerWaalsContact NE1-O 3.11Å; P1012-H1014 PolarHBondContact O-N 3.37Å; P1012-H1014 VanDerWaalsContact O-N 3.1Å; P1012-I1015 HydrophobicContact CB-CG1 4.19Å; P1012-I1015 HydrophobicContact CG-CG1 4.29Å; P1012-I1015 PolarHBondContact O-N 2.9Å
1013	D	90.1	Very high	95.1	Very high	90 Å²	90	26.9 Å²	26.9	48%	0.481	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-34.2	-177.8	62.4	-12.9	0	0	0	114.5	W543 I976	W543-D1013 VanDerWaalsContact CE2-O 3.25Å; W543-D1013 WeakPolarHBondContact CZ2-O 3.37Å; W543-D1013 PolarHBondContact NE1-O 3.28Å; I976-D1013 HydrophobicContact CD1-CB 4.11Å; I976-D1013 WeakPolarHBondContact CG1-O 3.42Å
1014	H	92.1	Very high	95.2	Very high	35 Å²	35	25.7 Å²	25.7	16%	0.162	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.7	178.5	61.1	-80.3	0	0	0	114.1	P1012 L1046 Q1047 H1058	P1012-H1014 PolarHBondContact O-N 3.37Å; P1012-H1014 VanDerWaalsContact O-N 3.1Å; H1014-L1046 WeakPolarHBondContact O-CB 3.46Å; H1014-L1046 PolarHBondContact O-N 2.83Å; H1014-Q1047 HydrophobicContact CB-CG 3.83Å; H1014-H1058 AromaticContact CE1-ND1 3.75Å; H1014-H1058 AromaticContact NE2-CE1 3.8Å; H1014-H1058 AromaticContact NE2-CG 3.79Å; H1014-H1058 AromaticContact NE2-ND1 3.04Å; H1014-H1058 PolarHBondContact NE2-ND1 2.94Å
1015	I	96.6	Very high	95.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	105.8	174.8	-57.9	-56.4	0	0	0	108.9	W543 L1011 P1012 L1043 N1045 H1058 I1128	W543-I1015 PolarHBondContact NE1-O 2.85Å; L1011-I1015 HydrophobicContact CD1-CG2 4.37Å; P1012-I1015 HydrophobicContact CB-CG1 4.19Å; P1012-I1015 HydrophobicContact CG-CG1 4.29Å; P1012-I1015 PolarHBondContact O-N 2.9Å; I1015-L1043 HydrophobicContact CG2-CD2 4.33Å; I1015-N1045 HydrophobicContact CD1-CB 3.99Å; I1015-H1058 HydrophobicContact CD1-CB 3.74Å; I1015-H1058 HydrophobicContact CG1-CB 4.38Å; I1015-I1128 HydrophobicContact CD1-CD1 4.35Å; I1015-I1128 HydrophobicContact CG2-CD1 4.12Å
1016	H	97.3	Very high	95	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.019	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.5	179.4	178.2	57.7	0	0	0	111.2	W543 L1018 L1043 E1044 L1046	W543-H1016 HydrophobicContact CH2-CB 4.36Å; W543-H1016 AromaticContact CH2-ND1 4Å; W543-H1016 HydrophobicContact CZ2-CB 3.85Å; H1016-L1018 PolarHBondContact O-N 2.87Å; H1016-L1043 CarbonylContact O-C 3.54Å; H1016-L1043 WeakPolarHBondContact O-CA 3.21Å; H1016-E1044 HydrophobicContact CB-CB 4.33Å; H1016-E1044 PolarHBondContact N-O 2.95Å; H1016-E1044 PolarHBondContact O-N 2.85Å; H1016-L1046 HydrophobicContact CB-CD1 3.84Å; H1016-L1046 HydrophobicContact CB-CD2 3.93Å; H1016-L1046 HydrophobicContact CB-CG 3.78Å
1017	L	98.1	Very high	94.5	Very high	10 Å²	10	26.3 Å²	26.3	5%	0.052	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	100.9	167.6	-176.7	65.6	0	0	0	109.6	I640 L1011 L1020 I1041 L1043	I640-L1017 HydrophobicContact CD1-CD2 3.18Å; I640-L1017 HydrophobicContact CG1-CD2 4.06Å; L1011-L1017 HydrophobicContact CD1-CB 3.77Å; L1017-L1020 HydrophobicContact CD1-CB 4.21Å; L1017-L1020 HydrophobicContact CD2-CB 4.03Å; L1017-L1020 HydrophobicContact CD2-CD2 4.32Å; L1017-L1020 HydrophobicContact CG-CB 4.37Å; L1017-I1041 HydrophobicContact CD1-CD1 3.96Å; L1017-I1041 HydrophobicContact CD1-CG1 3.76Å; L1017-L1043 HydrophobicContact CD1-CD2 3.67Å
1018	L	97.7	Very high	93.3	Very high	14 Å²	14	28 Å²	28	7%	0.073	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-39.4	-176.8	-179.2	61.6	0	0	0	112.2	Y164 A165 I168 H1016 R1042 I1133	Y164-L1018 HydrophobicContact CD2-CD1 4.37Å; Y164-L1018 HydrophobicContact CE2-CD1 3.56Å; Y164-L1018 HydrophobicContact CE2-CD2 3.9Å; Y164-L1018 HydrophobicContact CE2-CG 4.4Å; A165-L1018 HydrophobicContact CB-CD1 3.7Å; I168-L1018 HydrophobicContact CD1-CD2 3.73Å; H1016-L1018 PolarHBondContact O-N 2.87Å; L1018-R1042 HydrophobicContact CB-CB 3.9Å; L1018-R1042 HydrophobicContact CD2-CB 4.29Å; L1018-R1042 HydrophobicContact CG-CB 4.34Å; L1018-R1042 PolarHBondContact N-O 3.35Å; L1018-I1133 HydrophobicContact CD2-CD1 3.92Å; L1018-I1133 HydrophobicContact CD2-CG1 4.33Å; L1018-I1133 HydrophobicContact CD2-CG2 3.94Å
1019	S	97.8	Very high	91.7	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.042	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	138.8	176.6	-46.4	0	0	0	0	110.2	I1041 R1042	S1019-I1041 WeakPolarHBondContact O-CA 3.39Å; S1019-R1042 PolarHBondContact N-O 2.82Å; S1019-R1042 PolarHBondContact O-N 3.36Å; S1019-R1042 PolarHBondContact OG-NH1 3.37Å; S1019-R1042 VanDerWaalsContact OG-NH1 3.09Å
1020	L	97.9	Very high	89.7	Confident	3 Å²	3	29.1 Å²	29.1	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	104.2	167.5	178.4	64.6	0	0	0	107.9	Q417 L420 I640 L1017 I1039 I1041 I1066	Q417-L1020 HydrophobicContact CG-CB 4.44Å; L420-L1020 HydrophobicContact CD2-CD1 3.97Å; L420-L1020 HydrophobicContact CD2-CD2 4.32Å; L420-L1020 HydrophobicContact CD2-CG 3.77Å; I640-L1020 HydrophobicContact CD1-CD2 3.64Å; L1017-L1020 HydrophobicContact CD1-CB 4.21Å; L1017-L1020 HydrophobicContact CD2-CB 4.03Å; L1017-L1020 HydrophobicContact CD2-CD2 4.32Å; L1017-L1020 HydrophobicContact CG-CB 4.37Å; L1020-I1039 HydrophobicContact CD1-CG2 3.7Å; L1020-I1041 HydrophobicContact CD1-CB 4.44Å; L1020-I1041 HydrophobicContact CD1-CD1 4.35Å; L1020-I1041 HydrophobicContact CD1-CG1 4.31Å; L1020-I1066 HydrophobicContact CD1-CD1 3.76Å; L1020-I1066 HydrophobicContact CD1-CG1 4.31Å
1021	T	96.7	Very high	87.6	Confident	2 Å²	2	30 Å²	30	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	162.3	-169.4	-167.1	0	0	0	0	111.2	E416 R445 L1025 I1039 L1040	E416-T1021 PolarHBondContact OE1-OG1 3.38Å; R445-T1021 PolarHBondContact NH2-OG1 3.22Å; R445-T1021 VanDerWaalsContact NH2-OG1 3.1Å; T1021-L1025 HydrophobicContact CG2-CD2 3.62Å; T1021-I1039 WeakPolarHBondContact O-CG2 3.31Å; T1021-L1040 HydrophobicContact CG2-CB 4.05Å; T1021-L1040 HydrophobicContact CG2-CD2 4.08Å; T1021-L1040 PolarHBondContact N-O 2.95Å; T1021-L1040 PolarHBondContact O-N 2.81Å
1022	S	94.2	Very high	85.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	143.7	176.4	59.5	0	0	0	0	112.1	P1024	S1022-P1024 CarbonylContact O-C 3.57Å
1023	W	93.5	Very high	83.8	Confident	24 Å²	24	36.7 Å²	36.7	9%	0.091	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.3	177.2	-169.5	-101.2	0	0	0	112.4	T172 D176 R424 L1025 Q1038 L1040 G1081 I1137	T172-W1023 HydrophobicContact CG2-CZ3 4.09Å; D176-W1023 HydrophobicContact CB-CH2 4.07Å; D176-W1023 HydrophobicContact CB-CZ3 4.47Å; R424-W1023 PolarHBondContact NH2-O 2.94Å; W1023-L1025 HydrophobicContact CE3-CD2 4.44Å; W1023-L1025 HydrophobicContact CE3-CG 4.12Å; W1023-L1025 HydrophobicContact CZ3-CD1 4.44Å; W1023-L1025 HydrophobicContact CZ3-CG 3.98Å; W1023-Q1038 HydrophobicContact CB-CB 4.14Å; W1023-Q1038 PolarHBondContact N-O 2.99Å; W1023-Q1038 PolarHBondContact O-N 2.85Å; W1023-L1040 HydrophobicContact CB-CB 4.07Å; W1023-L1040 HydrophobicContact CD2-CB 4.31Å; W1023-L1040 HydrophobicContact CD2-CD1 4.17Å; W1023-L1040 HydrophobicContact CE3-CB 3.9Å; W1023-L1040 HydrophobicContact CE3-CD1 3.39Å; W1023-L1040 HydrophobicContact CE3-CG 4.28Å; W1023-L1040 HydrophobicContact CG-CB 4.43Å; W1023-L1040 HydrophobicContact CH2-CD1 4.17Å; W1023-L1040 HydrophobicContact CZ3-CD1 3.39Å; W1023-G1081 WeakPolarHBondContact CZ2-O 3.5Å; W1023-I1137 HydrophobicContact CB-CD1 4.21Å; W1023-I1137 HydrophobicContact CD2-CD1 3.57Å; W1023-I1137 HydrophobicContact CE3-CD1 4.2Å; W1023-I1137 HydrophobicContact CG-CD1 3.57Å; W1023-I1137 HydrophobicContact CG-CG1 4.44Å; W1023-I1137 HydrophobicContact CG-CG2 4.3Å; W1023-I1137 HydrophobicContact CZ2-CD1 4.38Å
1024	P	91	Very high	82.7	Confident	8 Å²	8	40.7 Å²	40.7	5%	0.052	22%	0.219	C	C	.	.	S	Bend	cis	-59.1	160.5	-11.8	28.5	-36.1	0	0	0	111.8	S1022 N1026 R1027	S1022-P1024 CarbonylContact O-C 3.57Å; P1024-N1026 VanDerWaalsContact C-N 3.32Å; P1024-N1026 PolarHBondContact O-N 3.22Å; P1024-R1027 HydrophobicContact CG-CG 4.02Å
1025	L	92.8	Very high	81.7	Confident	8 Å²	8	42 Å²	42	4%	0.042	23%	0.228	C	C	.	.	S	Bend	trans	-63.3	-40.1	-175.2	-66.9	175.6	0	0	0	111.9	T172 R173 D176 R445 T1021 W1023	T172-L1025 HydrophobicContact CG2-CD1 3.81Å; R173-L1025 HydrophobicContact CB-CD1 4.37Å; D176-L1025 PolarHBondContact OD2-N 3.23Å; R445-L1025 PolarHBondContact NH1-O 2.74Å; T1021-L1025 HydrophobicContact CG2-CD2 3.62Å; W1023-L1025 HydrophobicContact CE3-CD2 4.44Å; W1023-L1025 HydrophobicContact CE3-CG 4.12Å; W1023-L1025 HydrophobicContact CZ3-CD1 4.44Å; W1023-L1025 HydrophobicContact CZ3-CG 3.98Å
1026	N	90.8	Very high	80.9	Confident	16 Å²	16	45.3 Å²	45.3	9%	0.086	25%	0.25	C	S	.	.	S	Bend	trans	-157.8	139.4	171.1	-177.3	11.6	0	0	0	109.3	Q180 D442 P1024	Q180-N1026 PolarHBondContact NE2-O 3.31Å; Q180-N1026 PolarHBondContact OE1-O 3.04Å; D442-N1026 HydrophobicContact CB-CB 4.08Å; D442-N1026 PolarHBondContact OD2-ND2 3.22Å; P1024-N1026 VanDerWaalsContact C-N 3.32Å; P1024-N1026 PolarHBondContact O-N 3.22Å
1027	R	83.8	Confident	80.3	Confident	39 Å²	39	46.4 Å²	46.4	15%	0.147	26%	0.256	C	S	.	.			trans	-82.9	113.7	-179.3	-62.4	175.6	-176.3	-126.7	-0.8	110.4	Y431 P1024 D1032 V1035 N1037	Y431-R1027 WeakPolarHBondContact OH-CD 3.29Å; P1024-R1027 HydrophobicContact CG-CG 4.02Å; R1027-D1032 PolarHBondContact NH1-O 2.65Å; R1027-V1035 PolarHBondContact NH1-O 3.08Å; R1027-V1035 PolarHBondContact NH2-O 3.39Å; R1027-N1037 PolarHBondContact NH2-OD1 2.91Å
1028	V	72.6	Confident	80.1	Confident	40 Å²	40	46.8 Å²	46.8	24%	0.242	26%	0.258	C	S	.	.			trans	-92.4	-25.8	-172.5	-173.1	0	0	0	0	113.8	M124 V177 L181	M124-V1028 HydrophobicContact CE-CG1 3.51Å; V177-V1028 HydrophobicContact CG2-CG2 4.13Å; L181-V1028 HydrophobicContact CD2-CB 4.49Å; L181-V1028 HydrophobicContact CD2-CG1 3.94Å; L181-V1028 HydrophobicContact CG-CG1 4.39Å
1029	S	60.9	Low	80	Confident	56 Å²	56	46.1 Å²	46.1	39%	0.392	25%	0.254	S	S	.	.	S	Bend	trans	-96.4	164.2	178.2	-67.1	0	0	0	0	111.7
1030	L	52.6	Low	80	Confident	162 Å²	162	45.9 Å²	45.9	85%	0.848	25%	0.252	S	S	*	.	S	Bend	trans	-43.9	130.8	167.4	-80.5	170.5	0	0	0	108.1	D1032	L1030-D1032 PolarHBondContact O-N 2.96Å
1031	P	50.1	Low	80.1	Confident	63 Å²	63	45.8 Å²	45.8	41%	0.409	25%	0.252	S	S	.	.			trans	-46.9	115.5	-173.3	-27.3	33.4	0	0	0	110.3	Y431 P1033	Y431-P1031 HydrophobicContact CD1-CG 4.45Å; Y431-P1031 HydrophobicContact CE1-CB 3.69Å; Y431-P1031 HydrophobicContact CE1-CG 3.33Å; Y431-P1031 HydrophobicContact CE2-CB 4.38Å; Y431-P1031 WeakPolarHBondContact OH-CB 3.31Å; Y431-P1031 VanDerWaalsContact OH-CG 3.24Å; Y431-P1031 WeakPolarHBondContact OH-CG 2.96Å; P1031-P1033 WeakPolarHBondContact O-CD 3.46Å
1032	D	55.6	Low	80.1	Confident	78 Å²	78	45.9 Å²	45.9	42%	0.417	25%	0.252	S	S	.	.			trans	-85.7	101.2	154.4	-170.8	-5.8	0	0	0	105.6	R1027 L1030 K1034 V1035	R1027-D1032 PolarHBondContact NH1-O 2.65Å; L1030-D1032 PolarHBondContact O-N 2.96Å; D1032-K1034 PolarHBondContact O-N 3.49Å; D1032-K1034 WeakPolarHBondContact OD1-CB 3.48Å; D1032-K1034 WeakPolarHBondContact OD1-CD 3.24Å; D1032-K1034 WeakPolarHBondContact OD1-CG 3.25Å; D1032-K1034 PolarHBondContact OD1-N 3.39Å; D1032-V1035 HydrophobicContact CB-CG2 4.25Å; D1032-V1035 PolarHBondContact O-N 2.79Å
1033	P	58.3	Low	80.3	Confident	112 Å²	112	45.9 Å²	45.9	73%	0.727	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-9	177.6	26	-34.7	0	0	0	112.4	P1031 V1035	P1031-P1033 WeakPolarHBondContact O-CD 3.46Å; P1033-V1035 VanDerWaalsContact C-N 3.33Å
1034	K	66.1	Low	80.5	Confident	175 Å²	175	44.7 Å²	44.7	76%	0.761	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.8	173.9	-59.2	172	-176.1	173.6	0	114	D1032 P1036	D1032-K1034 PolarHBondContact O-N 3.49Å; D1032-K1034 WeakPolarHBondContact OD1-CB 3.48Å; D1032-K1034 WeakPolarHBondContact OD1-CD 3.24Å; D1032-K1034 WeakPolarHBondContact OD1-CG 3.25Å; D1032-K1034 PolarHBondContact OD1-N 3.39Å; K1034-P1036 VanDerWaalsContact O-CD 3.25Å; K1034-P1036 WeakPolarHBondContact O-CD 3.43Å
1035	V	72.1	Confident	80.7	Confident	61 Å²	61	44.3 Å²	44.3	37%	0.37	25%	0.245	S	C	.	.	S	Bend	trans	-78.3	112	176.3	-177.8	0	0	0	0	108.7	R1027 D1032 P1033	R1027-V1035 PolarHBondContact NH1-O 3.08Å; R1027-V1035 PolarHBondContact NH2-O 3.39Å; D1032-V1035 HydrophobicContact CB-CG2 4.25Å; D1032-V1035 PolarHBondContact O-N 2.79Å; P1033-V1035 VanDerWaalsContact C-N 3.33Å
1036	P	78.8	Confident	80.7	Confident	71 Å²	71	44.3 Å²	44.3	46%	0.461	25%	0.245	S	C	.	.			trans	-67.8	150.7	-177.8	28.9	-34.1	0	0	0	110.9	K1034 Q1038	K1034-P1036 VanDerWaalsContact O-CD 3.25Å; K1034-P1036 WeakPolarHBondContact O-CD 3.43Å; P1036-Q1038 HydrophobicContact CB-CG 4.37Å; P1036-Q1038 HydrophobicContact CG-CG 4.04Å; P1036-Q1038 PolarHBondContact O-N 3.49Å
1037	N	85.7	Confident	80.5	Confident	27 Å²	27	46.6 Å²	46.6	14%	0.144	26%	0.255	C	S	.	.			trans	-71.1	120.8	166.5	-75.6	-16.1	0	0	0	108.2	R424 Q434 R1027 Y1140	R424-N1037 PolarHBondContact NH2-OD1 2.71Å; Q434-N1037 PolarHBondContact OE1-ND2 3.16Å; R1027-N1037 PolarHBondContact NH2-OD1 2.91Å; N1037-Y1140 VanDerWaalsContact O-CE1 3.31Å; N1037-Y1140 WeakPolarHBondContact O-CE1 3.42Å
1038	Q	92.9	Very high	79.9	Confident	18 Å²	18	47.3 Å²	47.3	8%	0.084	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	177.3	-179.7	-63.5	180	-64.7	0	0	109.5	W1023 P1036 I1137 L1138 D1139	W1023-Q1038 HydrophobicContact CB-CB 4.14Å; W1023-Q1038 PolarHBondContact N-O 2.99Å; W1023-Q1038 PolarHBondContact O-N 2.85Å; P1036-Q1038 HydrophobicContact CB-CG 4.37Å; P1036-Q1038 HydrophobicContact CG-CG 4.04Å; P1036-Q1038 PolarHBondContact O-N 3.49Å; Q1038-I1137 HydrophobicContact CB-CG2 3.65Å; Q1038-I1137 HydrophobicContact CG-CG2 4.1Å; Q1038-L1138 WeakPolarHBondContact CA-O 3.49Å; Q1038-L1138 WeakPolarHBondContact CB-O 3.09Å; Q1038-D1139 PolarHBondContact NE2-OD1 2.79Å
1039	I	96.3	Very high	79.4	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.3	175.7	-59.9	175.6	0	0	0	108.3	L420 L425 L1020 T1021 I1066 I1069 I1137 L1138 Y1140	L420-I1039 HydrophobicContact CD1-CD1 4.01Å; L420-I1039 HydrophobicContact CD1-CG1 3.84Å; L420-I1039 HydrophobicContact CD2-CD1 4.35Å; L420-I1039 HydrophobicContact CD2-CG2 4.16Å; L425-I1039 HydrophobicContact CD2-CD1 4.44Å; L1020-I1039 HydrophobicContact CD1-CG2 3.7Å; T1021-I1039 WeakPolarHBondContact O-CG2 3.31Å; I1039-I1066 HydrophobicContact CD1-CD1 3.87Å; I1039-I1066 HydrophobicContact CG2-CD1 4.18Å; I1039-I1069 HydrophobicContact CD1-CD1 3.36Å; I1039-I1137 CarbonylContact O-C 3.48Å; I1039-I1137 WeakPolarHBondContact O-CA 3.25Å; I1039-L1138 HydrophobicContact CB-CB 4.23Å; I1039-L1138 HydrophobicContact CG2-CD1 4.47Å; I1039-L1138 PolarHBondContact N-O 3.15Å; I1039-L1138 VanDerWaalsContact N-O 3.14Å; I1039-L1138 PolarHBondContact O-N 3.28Å; I1039-Y1140 HydrophobicContact CD1-CD1 3.8Å; I1039-Y1140 HydrophobicContact CD1-CE1 3.99Å; I1039-Y1140 HydrophobicContact CD1-CG 4.37Å; I1039-Y1140 HydrophobicContact CG1-CD1 3.83Å; I1039-Y1140 HydrophobicContact CG1-CE1 3.73Å
1040	L	98	Very high	79.1	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.8	166.2	-178.4	151.6	0	0	0	108.2	T1021 W1023 R1042 T1135 Y1136 I1137	T1021-L1040 HydrophobicContact CG2-CB 4.05Å; T1021-L1040 HydrophobicContact CG2-CD2 4.08Å; T1021-L1040 PolarHBondContact N-O 2.95Å; T1021-L1040 PolarHBondContact O-N 2.81Å; W1023-L1040 HydrophobicContact CB-CB 4.07Å; W1023-L1040 HydrophobicContact CD2-CB 4.31Å; W1023-L1040 HydrophobicContact CD2-CD1 4.17Å; W1023-L1040 HydrophobicContact CE3-CB 3.9Å; W1023-L1040 HydrophobicContact CE3-CD1 3.39Å; W1023-L1040 HydrophobicContact CE3-CG 4.28Å; W1023-L1040 HydrophobicContact CG-CB 4.43Å; W1023-L1040 HydrophobicContact CH2-CD1 4.17Å; W1023-L1040 HydrophobicContact CZ3-CD1 3.39Å; L1040-R1042 HydrophobicContact CD2-CG 3.91Å; L1040-T1135 HydrophobicContact CD1-CG2 4.2Å; L1040-T1135 HydrophobicContact CD2-CG2 4.41Å; L1040-T1135 HydrophobicContact CG-CG2 4.17Å; L1040-Y1136 WeakPolarHBondContact CA-O 3.22Å; L1040-I1137 HydrophobicContact CB-CD1 3.79Å; L1040-I1137 HydrophobicContact CD1-CD1 3.83Å; L1040-I1137 HydrophobicContact CG-CD1 3.91Å
1041	I	98.3	Very high	79	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135	173	-167.5	171.8	0	0	0	110.2	L1017 S1019 L1020 L1043 L1062 L1065 T1135 Y1136 L1138	L1017-I1041 HydrophobicContact CD1-CD1 3.96Å; L1017-I1041 HydrophobicContact CD1-CG1 3.76Å; S1019-I1041 WeakPolarHBondContact O-CA 3.39Å; L1020-I1041 HydrophobicContact CD1-CB 4.44Å; L1020-I1041 HydrophobicContact CD1-CD1 4.35Å; L1020-I1041 HydrophobicContact CD1-CG1 4.31Å; I1041-L1043 HydrophobicContact CD1-CD1 4.31Å; I1041-L1043 HydrophobicContact CD1-CD2 4.11Å; I1041-L1043 HydrophobicContact CD1-CG 4.24Å; I1041-L1043 HydrophobicContact CG1-CD2 4.27Å; I1041-L1043 HydrophobicContact CG1-CG 4.17Å; I1041-L1062 HydrophobicContact CD1-CD2 4.48Å; I1041-L1065 HydrophobicContact CD1-CD2 4.4Å; I1041-T1135 WeakPolarHBondContact O-CA 3.14Å; I1041-Y1136 PolarHBondContact N-O 3.22Å; I1041-Y1136 PolarHBondContact O-N 3.4Å; I1041-L1138 HydrophobicContact CB-CD1 4.32Å; I1041-L1138 HydrophobicContact CG2-CD1 3.79Å; I1041-L1138 HydrophobicContact CG2-CD2 4.07Å; I1041-L1138 HydrophobicContact CG2-CG 3.92Å
1042	R	98.5	Very high	79	Confident	3 Å²	3	48.7 Å²	48.7	1%	0.011	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.4	170.4	-64.8	-172.2	-176.3	100.5	0.2	110.2	D169 T172 L1018 S1019 L1040 L1079 V1134 T1135	D169-R1042 IonicContact OD1-NH1 3.54Å; T172-R1042 PolarHBondContact OG1-NH2 2.64Å; L1018-R1042 HydrophobicContact CB-CB 3.9Å; L1018-R1042 HydrophobicContact CD2-CB 4.29Å; L1018-R1042 HydrophobicContact CG-CB 4.34Å; L1018-R1042 PolarHBondContact N-O 3.35Å; S1019-R1042 PolarHBondContact N-O 2.82Å; S1019-R1042 PolarHBondContact O-N 3.36Å; S1019-R1042 PolarHBondContact OG-NH1 3.37Å; S1019-R1042 VanDerWaalsContact OG-NH1 3.09Å; L1040-R1042 HydrophobicContact CD2-CG 3.91Å; R1042-L1079 VanDerWaalsContact CZ-O 3.27Å; R1042-L1079 PolarHBondContact NE-O 3.41Å; R1042-L1079 PolarHBondContact NH2-O 3.27Å; R1042-V1134 WeakPolarHBondContact CA-O 3.46Å; R1042-T1135 HydrophobicContact CG-CG2 3.83Å
1043	L	98.3	Very high	78.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.7	178.1	-59.5	167.5	0	0	0	109.1	L1011 I1015 H1016 L1017 I1041 L1060 L1062 V1126 I1128 I1133 V1134	L1011-L1043 HydrophobicContact CD1-CD2 4.06Å; I1015-L1043 HydrophobicContact CG2-CD2 4.33Å; H1016-L1043 CarbonylContact O-C 3.54Å; H1016-L1043 WeakPolarHBondContact O-CA 3.21Å; L1017-L1043 HydrophobicContact CD1-CD2 3.67Å; I1041-L1043 HydrophobicContact CD1-CD1 4.31Å; I1041-L1043 HydrophobicContact CD1-CD2 4.11Å; I1041-L1043 HydrophobicContact CD1-CG 4.24Å; I1041-L1043 HydrophobicContact CG1-CD2 4.27Å; I1041-L1043 HydrophobicContact CG1-CG 4.17Å; L1043-L1060 HydrophobicContact CD1-CD2 3.75Å; L1043-L1062 HydrophobicContact CD1-CD2 4.16Å; L1043-V1126 HydrophobicContact CD1-CG2 4.29Å; L1043-I1128 HydrophobicContact CB-CD1 3.62Å; L1043-I1128 HydrophobicContact CD1-CD1 3.77Å; L1043-I1128 HydrophobicContact CG-CD1 4.32Å; L1043-I1133 WeakPolarHBondContact O-CA 3.37Å; L1043-V1134 HydrophobicContact CB-CG2 3.96Å; L1043-V1134 PolarHBondContact N-O 2.98Å; L1043-V1134 WeakPolarHBondContact O-CG2 3.29Å; L1043-V1134 PolarHBondContact O-N 2.91Å
1044	E	96.8	Very high	78.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.4	176.8	-173.2	174.5	-159.1	0	0	110.3	Y164 R846 R975 H1016 L1046 K1132 I1133	Y164-E1044 WeakPolarHBondContact CE2-OE2 3.31Å; Y164-E1044 PolarHBondContact OH-OE2 3.41Å; R846-E1044 IonicContact CZ-OE1 3.37Å; R846-E1044 IonicContact NE-OE1 3.01Å; R846-E1044 PolarHBondContact NE-OE1 2.75Å; R846-E1044 IonicContact NH2-OE1 3.08Å; R975-E1044 IonicContact CZ-OE1 2.65Å; R975-E1044 IonicContact NH2-OE1 3.22Å; R975-E1044 PolarHBondContact NH2-OE1 3.16Å; R975-E1044 IonicContact NH2-OE2 3.82Å; H1016-E1044 HydrophobicContact CB-CB 4.33Å; H1016-E1044 PolarHBondContact N-O 2.95Å; H1016-E1044 PolarHBondContact O-N 2.85Å; E1044-L1046 HydrophobicContact CB-CD2 4.47Å; E1044-L1046 HydrophobicContact CG-CD2 4.03Å; E1044-L1046 PolarHBondContact O-N 2.81Å; E1044-K1132 WeakPolarHBondContact CA-O 3.44Å; E1044-I1133 HydrophobicContact CB-CG1 4.01Å; E1044-I1133 HydrophobicContact CG-CG1 3.75Å
1045	N	94.9	Very high	78.4	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	112.3	169.6	-174.1	-18	0	0	0	109.3	R975 I1015 Q1047 I1128 E1129 G1131 K1132	R975-N1045 PolarHBondContact NH1-O 3.05Å; I1015-N1045 HydrophobicContact CD1-CB 3.99Å; N1045-Q1047 VanDerWaalsContact C-N 3.32Å; N1045-Q1047 PolarHBondContact ND2-OE1 3.05Å; N1045-Q1047 PolarHBondContact O-N 3.29Å; N1045-Q1047 WeakPolarHBondContact OD1-CB 3.28Å; N1045-Q1047 VanDerWaalsContact OD1-CG 3.31Å; N1045-Q1047 WeakPolarHBondContact OD1-CG 3.44Å; N1045-Q1047 PolarHBondContact OD1-N 2.91Å; N1045-Q1047 PolarHBondContact OD1-OE1 3.15Å; N1045-I1128 HydrophobicContact CB-CB 4.32Å; N1045-I1128 HydrophobicContact CB-CG2 3.7Å; N1045-I1128 PolarHBondContact ND2-O 3.19Å; N1045-I1128 VanDerWaalsContact ND2-O 3.13Å; N1045-E1129 WeakPolarHBondContact CB-O 3.4Å; N1045-G1131 VanDerWaalsContact O-CA 3.3Å; N1045-G1131 WeakPolarHBondContact O-CA 3.49Å; N1045-G1131 PolarHBondContact O-N 3.2Å; N1045-K1132 PolarHBondContact N-O 3.33Å
1046	L	93.1	Very high	78.7	Confident	7 Å²	7	54.5 Å²	54.5	4%	0.037	28%	0.279	C	S	.	.			trans	-78.9	-9	-176	-62.5	-171.3	0	0	0	113.9	W543 R975 I976 Q979 H1014 H1016 E1044 T1048	W543-L1046 HydrophobicContact CH2-CD1 3.61Å; W543-L1046 HydrophobicContact CZ2-CD1 3.74Å; R975-L1046 HydrophobicContact CB-CB 4.08Å; R975-L1046 HydrophobicContact CB-CD1 4.21Å; R975-L1046 HydrophobicContact CB-CD2 4.34Å; R975-L1046 HydrophobicContact CB-CG 4.46Å; R975-L1046 VanDerWaalsContact CD-O 3.31Å; R975-L1046 WeakPolarHBondContact CD-O 3.31Å; R975-L1046 VanDerWaalsContact NH1-CA 3.34Å; R975-L1046 PolarHBondContact NH1-O 2.9Å; R975-L1046 VanDerWaalsContact NH2-CD2 3.34Å; I976-L1046 HydrophobicContact CG1-CD1 4.15Å; Q979-L1046 HydrophobicContact CG-CD1 3.98Å; H1014-L1046 WeakPolarHBondContact O-CB 3.46Å; H1014-L1046 PolarHBondContact O-N 2.83Å; H1016-L1046 HydrophobicContact CB-CD1 3.84Å; H1016-L1046 HydrophobicContact CB-CD2 3.93Å; H1016-L1046 HydrophobicContact CB-CG 3.78Å; E1044-L1046 HydrophobicContact CB-CD2 4.47Å; E1044-L1046 HydrophobicContact CG-CD2 4.03Å; E1044-L1046 PolarHBondContact O-N 2.81Å; L1046-T1048 PolarHBondContact O-N 2.94Å
1047	Q	87.6	Confident	79.2	Confident	64 Å²	64	53.8 Å²	53.8	30%	0.299	27%	0.274	S	S	.	.			trans	-56.5	133.4	179.8	-68.6	175.2	-37.4	0	0	111.6	H1014 N1045 P1130	H1014-Q1047 HydrophobicContact CB-CG 3.83Å; N1045-Q1047 VanDerWaalsContact C-N 3.32Å; N1045-Q1047 PolarHBondContact ND2-OE1 3.05Å; N1045-Q1047 PolarHBondContact O-N 3.29Å; N1045-Q1047 WeakPolarHBondContact OD1-CB 3.28Å; N1045-Q1047 VanDerWaalsContact OD1-CG 3.31Å; N1045-Q1047 WeakPolarHBondContact OD1-CG 3.44Å; N1045-Q1047 PolarHBondContact OD1-N 2.91Å; N1045-Q1047 PolarHBondContact OD1-OE1 3.15Å; Q1047-P1130 HydrophobicContact CB-CB 4.28Å
1048	T	71.2	Confident	79.5	Confident	55 Å²	55	54.5 Å²	54.5	34%	0.337	28%	0.277	S	S	.	.			trans	-81.3	139.5	179.4	45.9	0	0	0	0	111.4	L1046 T1050	L1046-T1048 PolarHBondContact O-N 2.94Å; T1048-T1050 VanDerWaalsContact C-N 3.28Å; T1048-T1050 PolarHBondContact O-N 3.47Å; T1048-T1050 VanDerWaalsContact O-N 3.08Å
1049	V	60.7	Low	79.6	Confident	54 Å²	54	57.2 Å²	57.2	33%	0.327	30%	0.298	S	S	.	.			trans	-84.1	72	172.9	-168.7	0	0	0	0	108.4
1050	T	56.4	Low	79.5	Confident	78 Å²	78	58.1 Å²	58.1	48%	0.479	30%	0.302	S	S	.	.	S	Bend	trans	-106.8	-32.7	176.8	44.2	0	0	0	0	112.6	T1048	T1048-T1050 VanDerWaalsContact C-N 3.28Å; T1048-T1050 PolarHBondContact O-N 3.47Å; T1048-T1050 VanDerWaalsContact O-N 3.08Å
1051	N	49	Very low	79.4	Confident	103 Å²	103	61.6 Å²	61.6	55%	0.551	32%	0.321	S	S	*	.			trans	-130.1	132.6	175.1	-74.9	-30.6	0	0	0	111.6	L1053 E1054	N1051-L1053 PolarHBondContact O-N 3.08Å; N1051-L1053 VanDerWaalsContact O-N 3.09Å; N1051-E1054 PolarHBondContact O-N 2.92Å
1052	D	50.2	Low	79.2	Confident	114 Å²	114	61.6 Å²	61.6	61%	0.61	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-55.7	-27.6	178.7	-77.9	-38.9	0	0	0	113.4	E1054 R1055	D1052-E1054 VanDerWaalsContact C-N 3.35Å; D1052-E1054 PolarHBondContact O-N 2.99Å; D1052-R1055 IonicContact OD1-CZ 2.78Å; D1052-R1055 IonicContact OD1-NE 2.82Å; D1052-R1055 PolarHBondContact OD1-NE 3.42Å; D1052-R1055 IonicContact OD1-NH1 3.63Å; D1052-R1055 PolarHBondContact OD1-NH1 2.68Å; D1052-R1055 IonicContact OD1-NH2 3.23Å; D1052-R1055 PolarHBondContact OD1-NH2 2.82Å; D1052-R1055 VanDerWaalsContact OD1-NH2 3.14Å
1053	L	50.1	Low	79.1	Confident	166 Å²	166	61.6 Å²	61.6	87%	0.869	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-74.5	-18.2	-175.5	-68	167.5	0	0	0	114.2	N1051	N1051-L1053 PolarHBondContact O-N 3.08Å; N1051-L1053 VanDerWaalsContact O-N 3.09Å
1054	E	55.2	Low	78.9	Confident	126 Å²	126	65.6 Å²	65.6	59%	0.589	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-103.7	5.6	-178.9	-68	-174.3	172.2	0	0	113.6	N1051 D1052 K1056	N1051-E1054 PolarHBondContact O-N 2.92Å; D1052-E1054 VanDerWaalsContact C-N 3.35Å; D1052-E1054 PolarHBondContact O-N 2.99Å; E1054-K1056 VanDerWaalsContact C-N 3.29Å; E1054-K1056 PolarHBondContact O-N 2.97Å
1055	R	63.4	Low	78.9	Confident	100 Å²	100	66.1 Å²	66.1	38%	0.377	35%	0.346	S	S	.	.			trans	-71.7	72.5	177.3	-69.4	-178.3	173.4	163.3	2.3	112.3	E243 D1052	E243-R1055 IonicContact OE1-NH2 2.65Å; E243-R1055 PolarHBondContact OE1-NH2 3.31Å; E243-R1055 IonicContact OE2-NH2 2.7Å; E243-R1055 PolarHBondContact OE2-NH2 3.09Å; D1052-R1055 IonicContact OD1-CZ 2.78Å; D1052-R1055 IonicContact OD1-NE 2.82Å; D1052-R1055 PolarHBondContact OD1-NE 3.42Å; D1052-R1055 IonicContact OD1-NH1 3.63Å; D1052-R1055 PolarHBondContact OD1-NH1 2.68Å; D1052-R1055 IonicContact OD1-NH2 3.23Å; D1052-R1055 PolarHBondContact OD1-NH2 2.82Å; D1052-R1055 VanDerWaalsContact OD1-NH2 3.14Å
1056	K	77.3	Confident	79	Confident	157 Å²	157	66.2 Å²	66.2	68%	0.683	35%	0.346	S	S	*	.			trans	-108.8	119.5	171.9	-69.1	-172.7	-176.1	176.5	0	111.2	E1054 H1058	E1054-K1056 VanDerWaalsContact C-N 3.29Å; E1054-K1056 PolarHBondContact O-N 2.97Å; K1056-H1058 PolarHBondContact O-N 3.46Å
1057	P	88.6	Confident	79	Confident	55 Å²	55	69.1 Å²	69.1	36%	0.357	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-57	138.2	168.5	-17.1	28.1	0	0	0	110.1	T1127 E1129	P1057-T1127 HydrophobicContact CB-CG2 3.37Å; P1057-T1127 HydrophobicContact CG-CG2 4.45Å; P1057-E1129 VanDerWaalsContact CG-OE1 3.22Å; P1057-E1129 WeakPolarHBondContact CG-OE1 3.49Å; P1057-E1129 WeakPolarHBondContact CG-OE2 3.18Å
1058	H	92.3	Very high	79.2	Confident	43 Å²	43	67.1 Å²	67.1	20%	0.199	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	129.9	176.8	-169.5	94.2	0	0	0	110	H1014 I1015 K1056 T1127 I1128	H1014-H1058 AromaticContact CE1-ND1 3.75Å; H1014-H1058 AromaticContact NE2-CE1 3.8Å; H1014-H1058 AromaticContact NE2-CG 3.79Å; H1014-H1058 AromaticContact NE2-ND1 3.04Å; H1014-H1058 PolarHBondContact NE2-ND1 2.94Å; I1015-H1058 HydrophobicContact CD1-CB 3.74Å; I1015-H1058 HydrophobicContact CG1-CB 4.38Å; K1056-H1058 PolarHBondContact O-N 3.46Å; H1058-T1127 CarbonylContact O-C 3.54Å; H1058-T1127 VanDerWaalsContact O-CA 3.32Å; H1058-T1127 WeakPolarHBondContact O-CA 3.41Å; H1058-I1128 PolarHBondContact N-O 2.8Å; H1058-I1128 PolarHBondContact O-N 3.32Å
1059	S	94.6	Very high	80.2	Confident	74 Å²	74	64.5 Å²	64.5	52%	0.517	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.9	173	-63.2	0	0	0	0	110	V1126	S1059-V1126 CarbonylContact C-O 3.54Å; S1059-V1126 VanDerWaalsContact CA-O 3.27Å; S1059-V1126 WeakPolarHBondContact CA-O 3.25Å
1060	L	94.8	Very high	81.8	Confident	19 Å²	19	65.2 Å²	65.2	10%	0.099	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.6	-178	-177.5	68.6	0	0	0	110.1	L1011 L1043 L1062 I1125 V1126	L1011-L1060 HydrophobicContact CD2-CD1 4.11Å; L1011-L1060 HydrophobicContact CD2-CD2 3.83Å; L1043-L1060 HydrophobicContact CD1-CD2 3.75Å; L1060-L1062 HydrophobicContact CD2-CD2 3.67Å; L1060-L1062 HydrophobicContact CG-CD2 4.02Å; L1060-I1125 CarbonylContact O-C 3.52Å; L1060-I1125 WeakPolarHBondContact O-CA 3.43Å; L1060-V1126 HydrophobicContact CB-CG2 3.99Å; L1060-V1126 PolarHBondContact N-O 2.8Å; L1060-V1126 PolarHBondContact O-N 2.68Å
1061	D	95.4	Very high	83.6	Confident	73 Å²	73	61.5 Å²	61.5	39%	0.39	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.7	173.8	-167.7	-13.4	0	0	0	110.3	T1063 I1125	D1061-T1063 WeakPolarHBondContact OD1-CB 3.37Å; D1061-T1063 PolarHBondContact OD1-N 2.92Å; D1061-T1063 PolarHBondContact OD1-OG1 2.85Å; D1061-I1125 HydrophobicContact CB-CG1 4.16Å
1062	L	95.7	Very high	85.7	Confident	2 Å²	2	58 Å²	58	1%	0.01	30%	0.298	C	S	.	.			trans	-91	-11	179.5	-58.2	-175.6	0	0	0	113.1	I1041 L1043 L1060 N1064 L1065 V1071 V1124 V1126 L1138	I1041-L1062 HydrophobicContact CD1-CD2 4.48Å; L1043-L1062 HydrophobicContact CD1-CD2 4.16Å; L1060-L1062 HydrophobicContact CD2-CD2 3.67Å; L1060-L1062 HydrophobicContact CG-CD2 4.02Å; L1062-N1064 VanDerWaalsContact C-N 3.28Å; L1062-N1064 PolarHBondContact O-N 3.18Å; L1062-N1064 VanDerWaalsContact O-N 3.15Å; L1062-L1065 HydrophobicContact CD2-CD2 3.57Å; L1062-L1065 PolarHBondContact O-N 2.92Å; L1062-L1065 VanDerWaalsContact O-N 3.13Å; L1062-V1071 VanDerWaalsContact O-CG2 3.32Å; L1062-V1071 WeakPolarHBondContact O-CG2 3.42Å; L1062-V1124 HydrophobicContact CB-CG1 4.38Å; L1062-V1124 WeakPolarHBondContact CB-O 3.38Å; L1062-V1124 PolarHBondContact N-O 2.84Å; L1062-V1126 HydrophobicContact CD1-CG1 3.65Å; L1062-V1126 HydrophobicContact CD1-CG2 4.02Å; L1062-V1126 HydrophobicContact CD2-CG2 4.34Å; L1062-V1126 HydrophobicContact CG-CG1 4.27Å; L1062-V1126 HydrophobicContact CG-CG2 4.05Å; L1062-L1138 HydrophobicContact CD1-CD2 4.13Å
1063	T	95.2	Very high	87.7	Confident	4 Å²	4	52.8 Å²	52.8	3%	0.025	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-48	-169	-49.8	0	0	0	0	112.3	D1061 E1070 V1071 K1122 N1123 V1124	D1061-T1063 WeakPolarHBondContact OD1-CB 3.37Å; D1061-T1063 PolarHBondContact OD1-N 2.92Å; D1061-T1063 PolarHBondContact OD1-OG1 2.85Å; T1063-E1070 HydrophobicContact CG2-CG 4.13Å; T1063-E1070 WeakPolarHBondContact O-CA 3.48Å; T1063-V1071 PolarHBondContact O-N 3.45Å; T1063-K1122 WeakPolarHBondContact CG2-O 3.41Å; T1063-N1123 WeakPolarHBondContact OG1-CA 3.46Å; T1063-V1124 PolarHBondContact OG1-N 3.4Å
1064	N	94.7	Very high	89.7	Confident	84 Å²	84	46.7 Å²	46.7	45%	0.449	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	23.7	-179.2	-62.9	-59.2	0	0	0	112	N1008 L1062	N1008-N1064 WeakPolarHBondContact CB-O 3.35Å; N1008-N1064 PolarHBondContact ND2-O 2.79Å; L1062-N1064 VanDerWaalsContact C-N 3.28Å; L1062-N1064 PolarHBondContact O-N 3.18Å; L1062-N1064 VanDerWaalsContact O-N 3.15Å
1065	L	96.5	Very high	91.6	Very high	11 Å²	11	43.8 Å²	43.8	6%	0.058	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-49.1	-175.9	176.5	65	0	0	0	111.6	I1007 N1008 L1011 I1041 L1062	I1007-L1065 CarbonylContact C-O 3.49Å; I1007-L1065 WeakPolarHBondContact CA-O 3.22Å; I1007-L1065 HydrophobicContact CB-CD1 4.21Å; I1007-L1065 WeakPolarHBondContact CB-O 3.21Å; I1007-L1065 HydrophobicContact CG2-CD1 4.4Å; I1007-L1065 HydrophobicContact CG2-CG 4.24Å; N1008-L1065 PolarHBondContact N-O 2.99Å; L1011-L1065 HydrophobicContact CD2-CD1 3.91Å; L1011-L1065 HydrophobicContact CD2-CD2 4.08Å; I1041-L1065 HydrophobicContact CD1-CD2 4.4Å; L1062-L1065 HydrophobicContact CD2-CD2 3.57Å; L1062-L1065 PolarHBondContact O-N 2.92Å; L1062-L1065 VanDerWaalsContact O-N 3.13Å
1066	I	95.9	Very high	93.1	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-84.3	128.3	-174.4	-59.4	167.5	0	0	0	109.1	L425 L1020 I1039 G1068 I1069 L1138	L425-I1066 HydrophobicContact CD1-CG2 4.36Å; L1020-I1066 HydrophobicContact CD1-CD1 3.76Å; L1020-I1066 HydrophobicContact CD1-CG1 4.31Å; I1039-I1066 HydrophobicContact CD1-CD1 3.87Å; I1039-I1066 HydrophobicContact CG2-CD1 4.18Å; I1066-G1068 PolarHBondContact O-N 2.67Å; I1066-I1069 HydrophobicContact CB-CD1 3.79Å; I1066-I1069 HydrophobicContact CB-CG1 3.76Å; I1066-I1069 HydrophobicContact CD1-CD1 4.09Å; I1066-I1069 HydrophobicContact CG2-CD1 3.75Å; I1066-I1069 HydrophobicContact CG2-CG1 3.83Å; I1066-I1069 PolarHBondContact O-N 3.03Å; I1066-L1138 HydrophobicContact CD1-CD1 4.09Å
1067	K	93.7	Very high	94	Very high	67 Å²	67	34.4 Å²	34.4	29%	0.291	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	133.8	-176.1	-172.1	173.6	-174	173.5	0	111.9	H421 T1005 G1006	H421-K1067 PolarHBondContact ND1-O 3.44Å; T1005-K1067 WeakPolarHBondContact O-CD 3.35Å; G1006-K1067 WeakPolarHBondContact O-CB 3.44Å; G1006-K1067 PolarHBondContact O-N 2.88Å
1068	G	91.3	Very high	94.4	Very high	23 Å²	23	32 Å²	32	24%	0.237	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	0.3	176.5	0	0	0	0	0	115.3	I1066 L1143	I1066-G1068 PolarHBondContact O-N 2.67Å; G1068-L1143 PolarHBondContact O-N 2.76Å
1069	I	92.9	Very high	94.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	157.9	179.8	64	170.7	0	0	0	113	L425 I1039 I1066 V1071 Y1140 E1141 L1142	L425-I1069 HydrophobicContact CD1-CG2 3.83Å; L425-I1069 HydrophobicContact CD2-CD1 4.5Å; L425-I1069 HydrophobicContact CD2-CG2 3.59Å; L425-I1069 HydrophobicContact CG-CG2 4.22Å; I1039-I1069 HydrophobicContact CD1-CD1 3.36Å; I1066-I1069 HydrophobicContact CB-CD1 3.79Å; I1066-I1069 HydrophobicContact CB-CG1 3.76Å; I1066-I1069 HydrophobicContact CD1-CD1 4.09Å; I1066-I1069 HydrophobicContact CG2-CD1 3.75Å; I1066-I1069 HydrophobicContact CG2-CG1 3.83Å; I1066-I1069 PolarHBondContact O-N 3.03Å; I1069-V1071 HydrophobicContact CD1-CG2 4.48Å; I1069-Y1140 HydrophobicContact CB-CD2 4.1Å; I1069-Y1140 HydrophobicContact CB-CG 4.48Å; I1069-Y1140 HydrophobicContact CD1-CD1 4.44Å; I1069-Y1140 HydrophobicContact CD1-CD2 4.16Å; I1069-Y1140 HydrophobicContact CD1-CG 3.87Å; I1069-Y1140 HydrophobicContact CG2-CD2 3.7Å; I1069-Y1140 HydrophobicContact CG2-CE2 4.18Å; I1069-Y1140 HydrophobicContact CG2-CG 4.44Å; I1069-E1141 CarbonylContact C-O 3.45Å; I1069-E1141 VanDerWaalsContact CA-O 3.31Å; I1069-E1141 WeakPolarHBondContact CA-O 3.44Å; I1069-E1141 WeakPolarHBondContact CB-O 3.33Å; I1069-L1142 HydrophobicContact CG2-CD2 3.78Å
1070	E	93.6	Very high	94.9	Very high	68 Å²	68	26.7 Å²	26.7	32%	0.318	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.8	164.2	-176	177.3	178.8	0	0	108.6	T1063 I1072 Y1140 E1141 L1143	T1063-E1070 HydrophobicContact CG2-CG 4.13Å; T1063-E1070 WeakPolarHBondContact O-CA 3.48Å; E1070-I1072 HydrophobicContact CG-CG2 4.33Å; E1070-I1072 PolarHBondContact O-N 2.9Å; E1070-Y1140 CarbonylContact O-C 3.57Å; E1070-Y1140 VanDerWaalsContact O-CA 3.23Å; E1070-Y1140 WeakPolarHBondContact O-CA 3.36Å; E1070-Y1140 WeakPolarHBondContact O-CB 3.18Å; E1070-E1141 PolarHBondContact N-O 2.77Å; E1070-E1141 PolarHBondContact O-N 2.92Å; E1070-L1143 HydrophobicContact CB-CD2 3.94Å; E1070-L1143 HydrophobicContact CB-CG 4.32Å
1071	V	94.5	Very high	94.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	115.4	174.1	-177.9	0	0	0	0	108.4	L1062 T1063 I1069 V1124 L1138	L1062-V1071 VanDerWaalsContact O-CG2 3.32Å; L1062-V1071 WeakPolarHBondContact O-CG2 3.42Å; T1063-V1071 PolarHBondContact O-N 3.45Å; I1069-V1071 HydrophobicContact CD1-CG2 4.48Å; V1071-V1124 HydrophobicContact CG1-CB 4.16Å; V1071-V1124 HydrophobicContact CG1-CG1 3.99Å; V1071-V1124 HydrophobicContact CG1-CG2 4.09Å; V1071-V1124 VanDerWaalsContact O-CG2 3.27Å; V1071-V1124 WeakPolarHBondContact O-CG2 3.29Å; V1071-L1138 HydrophobicContact CG1-CB 4.05Å; V1071-L1138 HydrophobicContact CG1-CD1 4.31Å; V1071-L1138 HydrophobicContact CG1-CD2 4.19Å; V1071-L1138 HydrophobicContact CG1-CG 4.42Å; V1071-L1138 HydrophobicContact CG2-CD1 4.14Å
1072	I	93.5	Very high	94.9	Very high	30 Å²	30	23 Å²	23	15%	0.154	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-8.9	-174	58.8	154.5	0	0	0	113.4	E1070 K1120 D1139 E1141	E1070-I1072 HydrophobicContact CG-CG2 4.33Å; E1070-I1072 PolarHBondContact O-N 2.9Å; I1072-K1120 WeakPolarHBondContact O-CA 3.12Å; I1072-D1139 HydrophobicContact CG1-CB 4.18Å; I1072-D1139 WeakPolarHBondContact CG1-O 3.28Å; I1072-D1139 PolarHBondContact N-O 2.97Å; I1072-E1141 HydrophobicContact CD1-CG 3.86Å; I1072-E1141 HydrophobicContact CG1-CG 4.33Å; I1072-E1141 HydrophobicContact CG2-CB 4.24Å; I1072-E1141 HydrophobicContact CG2-CG 3.95Å
1073	G	92.1	Very high	94.8	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.031	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	163.1	179	0	0	0	0	0	112.7	L1119 L1138 D1139	G1073-L1119 WeakPolarHBondContact CA-O 3.46Å; G1073-L1138 WeakPolarHBondContact O-CA 3.42Å; G1073-D1139 PolarHBondContact N-O 3.41Å; G1073-D1139 PolarHBondContact O-N 3.46Å
1074	M	93.4	Very high	94.8	Very high	39 Å²	39	25 Å²	25	19%	0.192	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155.6	178.4	65.7	174.4	172.8	0	0	112.8	V1124 I1125 V1126 Y1136 I1137 L1138	M1074-V1124 HydrophobicContact CB-CG1 3.99Å; M1074-V1124 HydrophobicContact CE-CG1 4.01Å; M1074-V1124 HydrophobicContact CG-CG1 3.7Å; M1074-V1124 HydrophobicContact SD-CG1 3.44Å; M1074-V1124 WeakPolarHBondContact SD-CG1 3.32Å; M1074-I1125 WeakPolarHBondContact CE-O 3.23Å; M1074-V1126 HydrophobicContact CE-CG1 3.82Å; M1074-V1126 HydrophobicContact SD-CG1 3.35Å; M1074-V1126 WeakPolarHBondContact SD-CG1 3.48Å; M1074-Y1136 HydrophobicContact CB-CD1 4.44Å; M1074-Y1136 HydrophobicContact CG-CD1 4.42Å; M1074-Y1136 HydrophobicContact SD-CD1 3.85Å; M1074-Y1136 HydrophobicContact SD-CE1 3.93Å; M1074-I1137 CarbonylContact C-O 3.57Å; M1074-I1137 VanDerWaalsContact CA-O 3.29Å; M1074-I1137 WeakPolarHBondContact CA-O 3.44Å; M1074-L1138 HydrophobicContact CB-CD2 3.7Å
1075	K	93.4	Very high	94.8	Very high	64 Å²	64	24.1 Å²	24.1	28%	0.278	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122.3	172.6	-64.2	167.5	-168.3	163.4	0	109.2	V1077 L1084 Y1136 I1137	K1075-V1077 PolarHBondContact O-N 3.17Å; K1075-L1084 HydrophobicContact CB-CD2 3.97Å; K1075-L1084 HydrophobicContact CG-CD2 4.48Å; K1075-Y1136 VanDerWaalsContact O-CA 3.31Å; K1075-Y1136 WeakPolarHBondContact O-CA 3.47Å; K1075-I1137 PolarHBondContact N-O 3.36Å; K1075-I1137 PolarHBondContact O-N 2.84Å
1076	E	95.7	Very high	94.5	Very high	50 Å²	50	25.4 Å²	25.4	23%	0.234	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.9	172	-164.7	-179.1	-177.3	0	0	109.6	K1085 Y1136	E1076-K1085 VanDerWaalsContact CD-CD 3.44Å; E1076-K1085 HydrophobicContact CG-CB 4.12Å; E1076-K1085 HydrophobicContact CG-CD 3.78Å; E1076-K1085 PolarHBondContact O-N 3.3Å; E1076-K1085 WeakPolarHBondContact OE1-CD 3.43Å; E1076-K1085 WeakPolarHBondContact OE1-CE 3.34Å; E1076-K1085 IonicContact OE1-NZ 3.71Å; E1076-K1085 PolarHBondContact OE1-NZ 2.8Å; E1076-Y1136 HydrophobicContact CB-CD1 3.92Å; E1076-Y1136 HydrophobicContact CB-CE1 3.6Å; E1076-Y1136 HydrophobicContact CG-CD1 4.24Å; E1076-Y1136 HydrophobicContact CG-CE1 3.72Å
1077	V	96.8	Very high	94.2	Very high	11 Å²	11	28.7 Å²	28.7	7%	0.067	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	167.4	-174.8	-69.9	0	0	0	0	110.7	K1075 E1083 L1084 T1135 I1137	K1075-V1077 PolarHBondContact O-N 3.17Å; V1077-E1083 CarbonylContact C-O 3.54Å; V1077-E1083 VanDerWaalsContact CA-O 3.24Å; V1077-E1083 WeakPolarHBondContact CA-O 3.38Å; V1077-E1083 WeakPolarHBondContact CB-O 3.47Å; V1077-L1084 HydrophobicContact CG1-CD2 4.18Å; V1077-T1135 HydrophobicContact CG2-CG2 3.59Å; V1077-T1135 WeakPolarHBondContact CG2-O 3.49Å; V1077-T1135 PolarHBondContact N-O 3Å; V1077-I1137 HydrophobicContact CG1-CG1 4.05Å; V1077-I1137 HydrophobicContact CG2-CD1 4.38Å; V1077-I1137 HydrophobicContact CG2-CG1 4.03Å
1078	T	97.4	Very high	94.2	Very high	4 Å²	4	26 Å²	26	3%	0.025	14%	0.138	C	C	.	.			trans	-58.8	164.8	167.2	54.1	0	0	0	0	110.7	T1080 G1081 D1082 E1083 A1088	T1078-T1080 PolarHBondContact O-N 2.88Å; T1078-G1081 PolarHBondContact O-N 2.88Å; T1078-D1082 PolarHBondContact OG1-OD1 3.4Å; T1078-E1083 HydrophobicContact CG2-CB 4.11Å; T1078-E1083 PolarHBondContact N-O 3.04Å; T1078-E1083 PolarHBondContact OG1-O 3.38Å; T1078-A1088 HydrophobicContact CG2-CB 3.58Å
1079	L	98.1	Very high	94	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-34.9	-179.2	-172.9	61.5	0	0	0	113.3	I168 L206 D209 A210 R1042 I1133	I168-L1079 HydrophobicContact CD1-CD1 4.01Å; I168-L1079 HydrophobicContact CD1-CD2 4.24Å; I168-L1079 HydrophobicContact CD1-CG 4.42Å; I168-L1079 HydrophobicContact CG1-CD1 4.29Å; I168-L1079 HydrophobicContact CG1-CD2 3.87Å; I168-L1079 HydrophobicContact CG1-CG 4.16Å; I168-L1079 HydrophobicContact CG2-CD1 4.29Å; I168-L1079 HydrophobicContact CG2-CG 4.17Å; L206-L1079 HydrophobicContact CB-CD2 3.72Å; L206-L1079 HydrophobicContact CD2-CD2 3.97Å; L206-L1079 HydrophobicContact CG-CD2 4.38Å; L206-L1079 WeakPolarHBondContact O-CD2 3.45Å; D209-L1079 HydrophobicContact CB-CB 4.03Å; D209-L1079 HydrophobicContact CB-CD2 4.03Å; D209-L1079 WeakPolarHBondContact O-CB 3.36Å; D209-L1079 PolarHBondContact O-N 2.88Å; A210-L1079 HydrophobicContact CB-CB 4.31Å; R1042-L1079 VanDerWaalsContact CZ-O 3.27Å; R1042-L1079 PolarHBondContact NE-O 3.41Å; R1042-L1079 PolarHBondContact NH2-O 3.27Å; L1079-I1133 HydrophobicContact CD1-CB 4.3Å; L1079-I1133 HydrophobicContact CD1-CD1 4.46Å; L1079-I1133 HydrophobicContact CD1-CG2 3.69Å
1080	T	97.7	Very high	93.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	0.8	-176.6	45.6	0	0	0	0	114.2	L171 R175 A210 T1078 D1082	L171-T1080 HydrophobicContact CB-CG2 4.26Å; L171-T1080 HydrophobicContact CD2-CG2 3.72Å; L171-T1080 HydrophobicContact CG-CG2 3.64Å; R175-T1080 VanDerWaalsContact CZ-OG1 3.3Å; R175-T1080 PolarHBondContact NE-OG1 2.81Å; R175-T1080 PolarHBondContact NH1-OG1 2.82Å; A210-T1080 HydrophobicContact CB-CG2 3.92Å; T1078-T1080 PolarHBondContact O-N 2.88Å; T1080-D1082 WeakPolarHBondContact CB-OD1 3.47Å; T1080-D1082 PolarHBondContact O-N 2.66Å; T1080-D1082 PolarHBondContact OG1-OD1 3.34Å
1081	G	95.8	Very high	93.6	Very high	8 Å²	8	33.8 Å²	33.8	8%	0.082	17%	0.17	C	C	.	.	S	Bend	trans	74.7	-1.4	172.6	0	0	0	0	0	116.7	W1023 T1078	W1023-G1081 WeakPolarHBondContact CZ2-O 3.5Å; T1078-G1081 PolarHBondContact O-N 2.88Å
1082	D	94.6	Very high	93.5	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.037	18%	0.175	C	C	.	.	S	Bend	trans	-93.1	-8.5	-169.9	64.5	-54.6	0	0	0	114.9	R175 K179 T1078 T1080	R175-D1082 HydrophobicContact CB-CB 4.38Å; R175-D1082 IonicContact CZ-OD1 2.81Å; R175-D1082 IonicContact CZ-OD2 3.53Å; R175-D1082 IonicContact NE-OD1 3.47Å; R175-D1082 PolarHBondContact NE-OD1 3.02Å; R175-D1082 IonicContact NE-OD2 3.24Å; R175-D1082 PolarHBondContact NE-OD2 3.4Å; R175-D1082 VanDerWaalsContact NH2-CG 3.28Å; R175-D1082 IonicContact NH2-OD1 2.78Å; R175-D1082 PolarHBondContact NH2-OD1 3.13Å; R175-D1082 VanDerWaalsContact NH2-OD1 3.1Å; R175-D1082 IonicContact NH2-OD2 2.82Å; R175-D1082 PolarHBondContact NH2-OD2 3.1Å; K179-D1082 HydrophobicContact CB-CB 4.14Å; K179-D1082 HydrophobicContact CG-CB 4.45Å; K179-D1082 PolarHBondContact NZ-O 2.96Å; T1078-D1082 PolarHBondContact OG1-OD1 3.4Å; T1080-D1082 WeakPolarHBondContact CB-OD1 3.47Å; T1080-D1082 PolarHBondContact O-N 2.66Å; T1080-D1082 PolarHBondContact OG1-OD1 3.34Å
1083	E	94.4	Very high	93.5	Very high	7 Å²	7	35 Å²	35	3%	0.033	17%	0.174	C	C	.	.	S	Bend	trans	-142.9	147.1	175.1	-175.8	169.3	-142.9	0	0	111.6	R187 V1077 T1078 K1085 E1087 A1088 R1091	R187-E1083 VanDerWaalsContact CZ-CD 3.49Å; R187-E1083 IonicContact CZ-OE1 3.48Å; R187-E1083 VanDerWaalsContact CZ-OE1 3.25Å; R187-E1083 IonicContact CZ-OE2 2.72Å; R187-E1083 VanDerWaalsContact CZ-OE2 3.24Å; R187-E1083 IonicContact NE-OE2 3.06Å; R187-E1083 PolarHBondContact NE-OE2 2.9Å; R187-E1083 IonicContact NH1-OE1 2.99Å; R187-E1083 PolarHBondContact NH1-OE1 3.41Å; R187-E1083 IonicContact NH1-OE2 3.86Å; R187-E1083 PolarHBondContact NH1-OE2 2.62Å; R187-E1083 IonicContact NH2-OE1 3.35Å; R187-E1083 PolarHBondContact NH2-OE1 3.34Å; R187-E1083 IonicContact NH2-OE2 2.74Å; V1077-E1083 CarbonylContact C-O 3.54Å; V1077-E1083 VanDerWaalsContact CA-O 3.24Å; V1077-E1083 WeakPolarHBondContact CA-O 3.38Å; V1077-E1083 WeakPolarHBondContact CB-O 3.47Å; T1078-E1083 HydrophobicContact CG2-CB 4.11Å; T1078-E1083 PolarHBondContact N-O 3.04Å; T1078-E1083 PolarHBondContact OG1-O 3.38Å; E1083-K1085 PolarHBondContact O-N 2.86Å; E1083-E1087 HydrophobicContact CG-CB 4.26Å; E1083-A1088 HydrophobicContact CG-CB 4.17Å; E1083-R1091 WeakPolarHBondContact OE1-CD 3.47Å; E1083-R1091 IonicContact OE1-CZ 3.52Å; E1083-R1091 IonicContact OE1-NE 2.66Å; E1083-R1091 IonicContact OE1-NH1 3.67Å; E1083-R1091 PolarHBondContact OE1-NH1 3.19Å
1084	L	95.6	Very high	93.5	Very high	40 Å²	40	38.1 Å²	38.1	21%	0.209	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-64.6	131.5	170.2	-69.3	177.4	0	0	0	109.9	K1075 V1077 C1086 E1087 A1088	K1075-L1084 HydrophobicContact CB-CD2 3.97Å; K1075-L1084 HydrophobicContact CG-CD2 4.48Å; V1077-L1084 HydrophobicContact CG1-CD2 4.18Å; L1084-C1086 VanDerWaalsContact C-N 3.26Å; L1084-C1086 PolarHBondContact O-N 2.82Å; L1084-E1087 HydrophobicContact CB-CB 4.26Å; L1084-E1087 HydrophobicContact CB-CG 3.98Å; L1084-E1087 HydrophobicContact CD1-CG 4.39Å; L1084-E1087 WeakPolarHBondContact O-CB 3.34Å; L1084-E1087 PolarHBondContact O-N 3.45Å; L1084-A1088 PolarHBondContact O-N 3.4Å
1085	K	93.6	Very high	93.6	Very high	66 Å²	66	36.2 Å²	36.2	29%	0.287	18%	0.177	S	C	.	.	H	α-helix	trans	-57.7	-39.6	-175.4	-171.4	-179	-179.2	174.3	0	112.6	E1076 E1083 E1087 A1088 L1089	E1076-K1085 VanDerWaalsContact CD-CD 3.44Å; E1076-K1085 HydrophobicContact CG-CB 4.12Å; E1076-K1085 HydrophobicContact CG-CD 3.78Å; E1076-K1085 PolarHBondContact O-N 3.3Å; E1076-K1085 WeakPolarHBondContact OE1-CD 3.43Å; E1076-K1085 WeakPolarHBondContact OE1-CE 3.34Å; E1076-K1085 IonicContact OE1-NZ 3.71Å; E1076-K1085 PolarHBondContact OE1-NZ 2.8Å; E1083-K1085 PolarHBondContact O-N 2.86Å; K1085-E1087 VanDerWaalsContact C-N 3.34Å; K1085-E1087 PolarHBondContact O-N 2.86Å; K1085-A1088 PolarHBondContact O-N 2.84Å; K1085-L1089 HydrophobicContact CG-CD1 4.25Å; K1085-L1089 VanDerWaalsContact O-CG 3.31Å; K1085-L1089 WeakPolarHBondContact O-CG 3.49Å; K1085-L1089 PolarHBondContact O-N 2.82Å
1086	C	90.1	Very high	93.4	Very high	38 Å²	38	33.6 Å²	33.6	26%	0.257	17%	0.166	S	C	.	.	H	α-helix	trans	-65.4	-35	177.8	47.5	0	0	0	0	113.3	L1084 T1090 C1113	L1084-C1086 VanDerWaalsContact C-N 3.26Å; L1084-C1086 PolarHBondContact O-N 2.82Å; C1086-T1090 WeakPolarHBondContact O-CB 3.44Å; C1086-T1090 PolarHBondContact O-N 3.46Å; C1086-T1090 PolarHBondContact O-OG1 2.95Å; C1086-C1113 HydrophobicContact CB-CB 3.68Å; C1086-C1113 WeakPolarHBondContact CB-SG 3.19Å; C1086-C1113 WeakPolarHBondContact SG-CB 3.06Å; C1086-C1113 CovalentContact SG-SG 2.04Å; C1086-C1113 PolarHBondContact SG-SG 2.87Å
1087	E	90.7	Very high	92.7	Very high	71 Å²	71	34.3 Å²	34.3	33%	0.332	17%	0.174	S	C	.	.	H	α-helix	trans	-70	-44.2	174.7	-65.3	-174.9	173	0	0	111	E1083 L1084 K1085 L1089 T1090 R1091	E1083-E1087 HydrophobicContact CG-CB 4.26Å; L1084-E1087 HydrophobicContact CB-CB 4.26Å; L1084-E1087 HydrophobicContact CB-CG 3.98Å; L1084-E1087 HydrophobicContact CD1-CG 4.39Å; L1084-E1087 WeakPolarHBondContact O-CB 3.34Å; L1084-E1087 PolarHBondContact O-N 3.45Å; K1085-E1087 VanDerWaalsContact C-N 3.34Å; K1085-E1087 PolarHBondContact O-N 2.86Å; E1087-L1089 PolarHBondContact O-N 3.3Å; E1087-T1090 WeakPolarHBondContact O-CB 3.32Å; E1087-T1090 PolarHBondContact O-N 2.82Å; E1087-T1090 VanDerWaalsContact O-N 3.17Å; E1087-R1091 WeakPolarHBondContact O-CB 3.48Å; E1087-R1091 WeakPolarHBondContact O-CG 3.36Å; E1087-R1091 PolarHBondContact O-N 2.76Å; E1087-R1091 IonicContact OE2-NH1 3.62Å
1088	A	92.4	Very high	92.2	Very high	12 Å²	12	34.1 Å²	34.1	10%	0.099	17%	0.173	C	C	.	.	H	α-helix	trans	-56.9	-48.9	175.9	0	0	0	0	0	111.6	T1078 E1083 L1084 K1085 T1090 R1091 R1092	T1078-A1088 HydrophobicContact CG2-CB 3.58Å; E1083-A1088 HydrophobicContact CG-CB 4.17Å; L1084-A1088 PolarHBondContact O-N 3.4Å; K1085-A1088 PolarHBondContact O-N 2.84Å; A1088-T1090 VanDerWaalsContact C-N 3.26Å; A1088-T1090 PolarHBondContact O-N 3.36Å; A1088-R1091 PolarHBondContact O-N 3.49Å; A1088-R1092 PolarHBondContact O-N 3.41Å
1089	L	88.8	Confident	91	Very high	91 Å²	91	38.8 Å²	38.8	48%	0.476	20%	0.196	S	C	.	.	H	α-helix	trans	-61.9	-32.1	178.1	-71.4	172.6	0	0	0	113.7	K1085 E1087 K1094	K1085-L1089 HydrophobicContact CG-CD1 4.25Å; K1085-L1089 VanDerWaalsContact O-CG 3.31Å; K1085-L1089 WeakPolarHBondContact O-CG 3.49Å; K1085-L1089 PolarHBondContact O-N 2.82Å; E1087-L1089 PolarHBondContact O-N 3.3Å; L1089-K1094 PolarHBondContact O-NZ 3.42Å
1090	T	87.8	Confident	89.2	Confident	52 Å²	52	44.2 Å²	44.2	32%	0.319	22%	0.221	S	C	.	.	H	α-helix	trans	-75.5	-37.3	177.4	-61.4	0	0	0	0	111.7	C1086 E1087 A1088 K1110	C1086-T1090 WeakPolarHBondContact O-CB 3.44Å; C1086-T1090 PolarHBondContact O-N 3.46Å; C1086-T1090 PolarHBondContact O-OG1 2.95Å; E1087-T1090 WeakPolarHBondContact O-CB 3.32Å; E1087-T1090 PolarHBondContact O-N 2.82Å; E1087-T1090 VanDerWaalsContact O-N 3.17Å; A1088-T1090 VanDerWaalsContact C-N 3.26Å; A1088-T1090 PolarHBondContact O-N 3.36Å; T1090-K1110 HydrophobicContact CG2-CG 4.49Å
1091	R	89.1	Confident	87.2	Confident	111 Å²	111	47 Å²	47	42%	0.419	24%	0.238	S	C	.	.	H	α-helix	trans	-83.3	-22.4	-177.9	-73	172.2	171.1	171.8	-7.4	113.2	D184 R187 E1083 E1087 A1088 L1093	D184-R1091 IonicContact OD2-NH1 3Å; D184-R1091 IonicContact OD2-NH2 3.25Å; R187-R1091 VanDerWaalsContact NH1-NH1 3.11Å; E1083-R1091 WeakPolarHBondContact OE1-CD 3.47Å; E1083-R1091 IonicContact OE1-CZ 3.52Å; E1083-R1091 IonicContact OE1-NE 2.66Å; E1083-R1091 IonicContact OE1-NH1 3.67Å; E1083-R1091 PolarHBondContact OE1-NH1 3.19Å; E1087-R1091 WeakPolarHBondContact O-CB 3.48Å; E1087-R1091 WeakPolarHBondContact O-CG 3.36Å; E1087-R1091 PolarHBondContact O-N 2.76Å; E1087-R1091 IonicContact OE2-NH1 3.62Å; A1088-R1091 PolarHBondContact O-N 3.49Å; R1091-L1093 PolarHBondContact O-N 2.78Å
1092	R	92	Very high	84.8	Confident	32 Å²	32	52 Å²	52	12%	0.121	26%	0.263	C	S	.	.	S	Bend	trans	-51.5	130.9	179.1	-171.3	-166.6	168.8	-94.5	14.1	111.5	D213 G250 A1088 K1094 E1098	D213-R1092 VanDerWaalsContact OD1-CA 3.23Å; D213-R1092 WeakPolarHBondContact OD1-CA 3.49Å; D213-R1092 VanDerWaalsContact OD1-CG 3.22Å; D213-R1092 WeakPolarHBondContact OD1-CG 3.29Å; G250-R1092 PolarHBondContact O-NH2 3.09Å; A1088-R1092 PolarHBondContact O-N 3.41Å; R1092-K1094 WeakPolarHBondContact O-CE 3.26Å; R1092-E1098 IonicContact CZ-OE1 2.69Å; R1092-E1098 IonicContact CZ-OE2 3.19Å; R1092-E1098 IonicContact NH1-OE1 3.32Å; R1092-E1098 PolarHBondContact NH1-OE1 3.11Å; R1092-E1098 IonicContact NH1-OE2 3.1Å; R1092-E1098 PolarHBondContact NH1-OE2 2.8Å; R1092-E1098 IonicContact NH2-OE1 3.37Å; R1092-E1098 PolarHBondContact NH2-OE1 2.86Å; R1092-E1098 IonicContact NH2-OE2 2.92Å
1093	L	94.9	Very high	82.6	Confident	23 Å²	23	58 Å²	58	12%	0.12	30%	0.295	C	S	.	.			trans	-58.7	142.2	171.9	-64.1	-178.8	0	0	0	110.5	Y51 D213 T360 N364 R1091	Y51-L1093 HydrophobicContact CD2-CD2 4.4Å; Y51-L1093 HydrophobicContact CE1-CD1 4.24Å; Y51-L1093 HydrophobicContact CE2-CD1 4.18Å; Y51-L1093 HydrophobicContact CE2-CD2 4.05Å; Y51-L1093 HydrophobicContact CE2-CG 3.99Å; D213-L1093 HydrophobicContact CB-CB 4.46Å; D213-L1093 HydrophobicContact CB-CD1 4.15Å; D213-L1093 HydrophobicContact CB-CG 4.27Å; D213-L1093 PolarHBondContact OD1-N 3.19Å; T360-L1093 HydrophobicContact CG2-CD1 3.83Å; N364-L1093 HydrophobicContact CB-CD1 4.09Å; R1091-L1093 PolarHBondContact O-N 2.78Å
1094	K	92.1	Very high	80.4	Confident	69 Å²	69	61.1 Å²	61.1	30%	0.3	32%	0.318	S	S	.	.			trans	-105.2	130.4	178.7	-55	-58	174.6	-171.5	0	108.7	N364 N368 L1089 R1092	N364-K1094 PolarHBondContact ND2-O 2.91Å; N368-K1094 PolarHBondContact ND2-O 2.83Å; L1089-K1094 PolarHBondContact O-NZ 3.42Å; R1092-K1094 WeakPolarHBondContact O-CE 3.26Å
1095	W	93.7	Very high	78.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.331	C	S	.	.			trans	-102.3	153.1	-178.5	-64.1	94.1	0	0	0	110.3	L237 F252 T360 V363 N364 F367 I373 E1098	L237-W1095 HydrophobicContact CD1-CB 4.31Å; L237-W1095 HydrophobicContact CD1-CG 4.04Å; L237-W1095 HydrophobicContact CD2-CB 4.25Å; F252-W1095 HydrophobicContact CB-CD2 4.28Å; F252-W1095 HydrophobicContact CB-CH2 3.62Å; F252-W1095 HydrophobicContact CB-CZ2 3.16Å; F252-W1095 HydrophobicContact CB-CZ3 4.33Å; F252-W1095 AromaticContact CD1-CH2 3.79Å; F252-W1095 HydrophobicContact CD1-CH2 3.79Å; F252-W1095 HydrophobicContact CD1-CZ2 4.03Å; F252-W1095 HydrophobicContact CD2-CD2 4.5Å; F252-W1095 HydrophobicContact CD2-CE3 4.05Å; F252-W1095 AromaticContact CD2-CH2 3.24Å; F252-W1095 HydrophobicContact CD2-CH2 3.24Å; F252-W1095 AromaticContact CD2-CZ2 3.79Å; F252-W1095 HydrophobicContact CD2-CZ2 3.79Å; F252-W1095 AromaticContact CD2-CZ3 3.38Å; F252-W1095 HydrophobicContact CD2-CZ3 3.38Å; F252-W1095 HydrophobicContact CE1-CH2 4.28Å; F252-W1095 AromaticContact CE2-CH2 3.78Å; F252-W1095 HydrophobicContact CE2-CH2 3.78Å; F252-W1095 AromaticContact CE2-CZ3 3.79Å; F252-W1095 HydrophobicContact CE2-CZ3 3.79Å; F252-W1095 AromaticContact CG-CH2 3.24Å; F252-W1095 HydrophobicContact CG-CH2 3.24Å; F252-W1095 AromaticContact CG-CZ2 3.39Å; F252-W1095 HydrophobicContact CG-CZ2 3.39Å; F252-W1095 AromaticContact CG-CZ3 3.9Å; F252-W1095 HydrophobicContact CG-CZ3 3.9Å; F252-W1095 HydrophobicContact CZ-CH2 4.27Å; T360-W1095 HydrophobicContact CG2-CH2 4.31Å; T360-W1095 HydrophobicContact CG2-CZ2 4.02Å; V363-W1095 HydrophobicContact CG2-CH2 4.09Å; V363-W1095 HydrophobicContact CG2-CZ3 4.48Å; N364-W1095 HydrophobicContact CB-CH2 3.7Å; N364-W1095 HydrophobicContact CB-CZ2 4.06Å; N364-W1095 HydrophobicContact CB-CZ3 3.95Å; N364-W1095 VanDerWaalsContact ND2-CD2 3.34Å; F367-W1095 HydrophobicContact CB-CE3 4.4Å; F367-W1095 HydrophobicContact CB-CZ3 4.4Å; F367-W1095 AromaticContact CD2-CZ3 3.92Å; F367-W1095 HydrophobicContact CD2-CZ3 3.92Å; F367-W1095 HydrophobicContact CG-CZ3 4.49Å; I373-W1095 HydrophobicContact CD1-CE3 3.93Å; I373-W1095 HydrophobicContact CD1-CZ3 4.18Å; W1095-E1098 HydrophobicContact CB-CG 4.22Å; W1095-E1098 PolarHBondContact N-OE2 2.79Å
1096	P	89.5	Confident	76	Confident	8 Å²	8	62.9 Å²	62.9	5%	0.052	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	152	173.1	26.1	-34.8	0	0	0	110.1	F367 N368 G371 I373 E1098	F367-P1096 HydrophobicContact CB-CG 4.07Å; N368-P1096 WeakPolarHBondContact OD1-CD 3.21Å; G371-P1096 VanDerWaalsContact C-CB 3.46Å; G371-P1096 WeakPolarHBondContact O-CB 3.49Å; I373-P1096 HydrophobicContact CB-CG 4.03Å; I373-P1096 HydrophobicContact CG2-CG 3.86Å; P1096-E1098 VanDerWaalsContact C-N 3.28Å; P1096-E1098 PolarHBondContact O-N 3.23Å
1097	T	82.6	Confident	74.1	Confident	65 Å²	65	65.8 Å²	65.8	40%	0.399	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	-10.6	-178.5	76	0	0	0	0	117.2	T247	T247-T1097 WeakPolarHBondContact CA-O 3.23Å
1098	E	85.7	Confident	72.2	Confident	7 Å²	7	68.3 Å²	68.3	3%	0.033	35%	0.353	C	S	.	.	S	Bend	trans	-71.4	137.4	170.9	-57.9	-173.9	136.8	0	0	110.8	L237 Y249 G250 R1092 W1095 P1096 H1100	L237-E1098 HydrophobicContact CD2-CG 4.15Å; Y249-E1098 WeakPolarHBondContact CA-OE1 3.29Å; G250-E1098 PolarHBondContact N-OE1 2.67Å; R1092-E1098 IonicContact CZ-OE1 2.69Å; R1092-E1098 IonicContact CZ-OE2 3.19Å; R1092-E1098 IonicContact NH1-OE1 3.32Å; R1092-E1098 PolarHBondContact NH1-OE1 3.11Å; R1092-E1098 IonicContact NH1-OE2 3.1Å; R1092-E1098 PolarHBondContact NH1-OE2 2.8Å; R1092-E1098 IonicContact NH2-OE1 3.37Å; R1092-E1098 PolarHBondContact NH2-OE1 2.86Å; R1092-E1098 IonicContact NH2-OE2 2.92Å; W1095-E1098 HydrophobicContact CB-CG 4.22Å; W1095-E1098 PolarHBondContact N-OE2 2.79Å; P1096-E1098 VanDerWaalsContact C-N 3.28Å; P1096-E1098 PolarHBondContact O-N 3.23Å; E1098-H1100 PolarHBondContact O-N 3.3Å
1099	I	71	Confident	70.2	Confident	102 Å²	102	71.7 Å²	71.7	52%	0.523	37%	0.369	S	S	.	.			trans	-67.1	119.8	169.8	-81.4	161.6	0	0	0	108.8	T247 V1101	T247-I1099 HydrophobicContact CG2-CD1 3.75Å; T247-I1099 HydrophobicContact CG2-CG1 3.82Å; T247-I1099 PolarHBondContact O-N 2.75Å; T247-I1099 VanDerWaalsContact OG1-CD1 3.31Å; T247-I1099 WeakPolarHBondContact OG1-CD1 3.44Å; I1099-V1101 PolarHBondContact O-N 3.01Å
1100	H	61.8	Low	68.5	Low	119 Å²	119	72.9 Å²	72.9	55%	0.551	37%	0.371	S	S	*	.			trans	-76.4	115.8	170.1	-56.1	-57	0	0	0	109.6	E1098 N1102	E1098-H1100 PolarHBondContact O-N 3.3Å; H1100-N1102 PolarHBondContact O-N 3.07Å
1101	V	54.1	Low	67	Low	58 Å²	58	76.1 Å²	76.1	35%	0.352	38%	0.382	S	S	.	.			trans	-59.1	118.8	160.5	-176.4	0	0	0	0	106.7	I1099 Q1105	I1099-V1101 PolarHBondContact O-N 3.01Å; V1101-Q1105 HydrophobicContact CG1-CB 3.74Å; V1101-Q1105 HydrophobicContact CG1-CG 4.49Å
1102	N	46.5	Very low	65.3	Low	114 Å²	114	72.7 Å²	72.7	61%	0.61	38%	0.375	S	S	*	.			trans	-43.1	142	-172.9	-83.1	-18	0	0	0	113.3	H1100 S1104 Q1105 T1106	H1100-N1102 PolarHBondContact O-N 3.07Å; N1102-S1104 PolarHBondContact O-N 3.24Å; N1102-Q1105 WeakPolarHBondContact O-CA 3.33Å; N1102-Q1105 WeakPolarHBondContact O-CB 3.46Å; N1102-Q1105 PolarHBondContact O-N 3.21Å; N1102-T1106 PolarHBondContact O-N 3.39Å; N1102-T1106 VanDerWaalsContact O-N 3.17Å; N1102-T1106 PolarHBondContact O-OG1 3.03Å
1103	D	48.2	Very low	63.7	Low	132 Å²	132	71.7 Å²	71.7	71%	0.706	37%	0.373	S	S	*	.	H	α-helix	trans	-51.7	-30.7	178.2	-80.8	-31.6	0	0	0	114	T1106 I1107	D1103-T1106 WeakPolarHBondContact O-CB 3.32Å; D1103-T1106 PolarHBondContact O-N 3.31Å; D1103-I1107 VanDerWaalsContact O-CG1 3.29Å; D1103-I1107 WeakPolarHBondContact O-CG1 3.42Å; D1103-I1107 PolarHBondContact O-N 3.43Å
1104	S	47.9	Very low	61.8	Low	74 Å²	74	76.6 Å²	76.6	52%	0.517	40%	0.399	S	S	.	.	H	α-helix	trans	-64.2	-37.2	174.3	40.7	0	0	0	0	113.3	N1102 Q1108	N1102-S1104 PolarHBondContact O-N 3.24Å; S1104-Q1108 WeakPolarHBondContact O-CG 3.46Å; S1104-Q1108 PolarHBondContact O-N 3.28Å; S1104-Q1108 VanDerWaalsContact O-N 3.09Å
1105	Q	47.9	Very low	59.9	Low	102 Å²	102	82.9 Å²	82.9	48%	0.477	42%	0.421	S	S	.	.	H	α-helix	trans	-74	-32.8	171.4	-81.1	177.6	-16.7	0	0	111.5	V1101 N1102 Q1108 N1109	V1101-Q1105 HydrophobicContact CG1-CB 3.74Å; V1101-Q1105 HydrophobicContact CG1-CG 4.49Å; N1102-Q1105 WeakPolarHBondContact O-CA 3.33Å; N1102-Q1105 WeakPolarHBondContact O-CB 3.46Å; N1102-Q1105 PolarHBondContact O-N 3.21Å; Q1105-Q1108 PolarHBondContact O-N 3.19Å; Q1105-N1109 VanDerWaalsContact O-CB 3.3Å; Q1105-N1109 WeakPolarHBondContact O-CB 3.48Å; Q1105-N1109 PolarHBondContact O-N 3.31Å; Q1105-N1109 PolarHBondContact O-ND2 3.41Å
1106	T	49.5	Very low	57.8	Low	41 Å²	41	90.3 Å²	90.3	25%	0.252	45%	0.449	S	S	.	.	H	α-helix	trans	-64.9	-39.3	173.2	-49.5	0	0	0	0	112	N1102 D1103 N1109 K1110	N1102-T1106 PolarHBondContact O-N 3.39Å; N1102-T1106 VanDerWaalsContact O-N 3.17Å; N1102-T1106 PolarHBondContact O-OG1 3.03Å; D1103-T1106 WeakPolarHBondContact O-CB 3.32Å; D1103-T1106 PolarHBondContact O-N 3.31Å; T1106-N1109 PolarHBondContact O-N 3.18Å; T1106-K1110 PolarHBondContact O-N 3.21Å
1107	I	50.6	Low	55.9	Low	99 Å²	99	91.4 Å²	91.4	51%	0.508	46%	0.457	S	S	.	.	H	α-helix	trans	-67.2	-43.2	173.6	-67	164.1	0	0	0	110.9	D1103 N1109 K1110 Q1111	D1103-I1107 VanDerWaalsContact O-CG1 3.29Å; D1103-I1107 WeakPolarHBondContact O-CG1 3.42Å; D1103-I1107 PolarHBondContact O-N 3.43Å; I1107-N1109 VanDerWaalsContact C-N 3.28Å; I1107-N1109 PolarHBondContact O-N 2.8Å; I1107-K1110 PolarHBondContact O-N 2.85Å; I1107-Q1111 PolarHBondContact O-N 2.99Å
1108	Q	49.8	Very low	54.3	Low	124 Å²	124	94.9 Å²	94.9	58%	0.579	47%	0.473	S	S	*	.	H	α-helix	trans	-60.4	-38.5	172.3	-75.9	179.3	-5.4	0	0	111.7	S1104 Q1105 Q1111 S1112	S1104-Q1108 WeakPolarHBondContact O-CG 3.46Å; S1104-Q1108 PolarHBondContact O-N 3.28Å; S1104-Q1108 VanDerWaalsContact O-N 3.09Å; Q1105-Q1108 PolarHBondContact O-N 3.19Å; Q1108-Q1111 PolarHBondContact O-N 3.46Å; Q1108-S1112 VanDerWaalsContact O-CB 3.24Å; Q1108-S1112 WeakPolarHBondContact O-CB 3.44Å; Q1108-S1112 PolarHBondContact O-N 3.22Å; Q1108-S1112 PolarHBondContact O-OG 2.82Å
1109	N	51.4	Low	52.6	Low	82 Å²	82	98.3 Å²	98.3	44%	0.439	49%	0.491	S	S	.	.	H	α-helix	trans	-67.6	-37.6	176.2	-73	-21.2	0	0	0	112.5	Q1105 T1106 I1107 S1112 C1113	Q1105-N1109 VanDerWaalsContact O-CB 3.3Å; Q1105-N1109 WeakPolarHBondContact O-CB 3.48Å; Q1105-N1109 PolarHBondContact O-N 3.31Å; Q1105-N1109 PolarHBondContact O-ND2 3.41Å; T1106-N1109 PolarHBondContact O-N 3.18Å; I1107-N1109 VanDerWaalsContact C-N 3.28Å; I1107-N1109 PolarHBondContact O-N 2.8Å; N1109-S1112 WeakPolarHBondContact CA-OG 3.22Å; N1109-S1112 PolarHBondContact O-N 2.68Å; N1109-S1112 PolarHBondContact O-OG 3.15Å; N1109-C1113 WeakPolarHBondContact O-CB 3.39Å; N1109-C1113 PolarHBondContact O-N 2.87Å
1110	K	53.2	Low	51.8	Low	117 Å²	117	101.7 Å²	101.7	51%	0.509	50%	0.502	S	S	.	.	H	α-helix	trans	-65.1	-44.7	171.7	-78.9	179.2	176.3	173.3	0	112	T1090 T1106 I1107 S1112 C1113 N1114	T1090-K1110 HydrophobicContact CG2-CG 4.49Å; T1106-K1110 PolarHBondContact O-N 3.21Å; I1107-K1110 PolarHBondContact O-N 2.85Å; K1110-S1112 VanDerWaalsContact C-N 3.35Å; K1110-C1113 WeakPolarHBondContact O-CB 3.3Å; K1110-C1113 PolarHBondContact O-N 2.83Å; K1110-N1114 PolarHBondContact O-N 3.12Å
1111	Q	54.7	Low	51.7	Low	120 Å²	120	97.9 Å²	97.9	56%	0.561	49%	0.489	S	S	*	.	H	α-helix	trans	-66.4	-36.9	176.5	-72.1	-177.8	-4.9	0	0	112.1	I1107 Q1108 R1115	I1107-Q1111 PolarHBondContact O-N 2.99Å; Q1108-Q1111 PolarHBondContact O-N 3.46Å; Q1111-R1115 PolarHBondContact O-N 2.91Å
1112	S	53.6	Low	52.4	Low	38 Å²	38	103.9 Å²	103.9	27%	0.266	51%	0.51	S	S	.	.	H	α-helix	trans	-71.8	-33.1	176.4	77.3	0	0	0	0	112.3	Q1108 N1109 K1110 N1114 R1115 R1116	Q1108-S1112 VanDerWaalsContact O-CB 3.24Å; Q1108-S1112 WeakPolarHBondContact O-CB 3.44Å; Q1108-S1112 PolarHBondContact O-N 3.22Å; Q1108-S1112 PolarHBondContact O-OG 2.82Å; N1109-S1112 WeakPolarHBondContact CA-OG 3.22Å; N1109-S1112 PolarHBondContact O-N 2.68Å; N1109-S1112 PolarHBondContact O-OG 3.15Å; K1110-S1112 VanDerWaalsContact C-N 3.35Å; S1112-N1114 PolarHBondContact O-N 3.02Å; S1112-R1115 PolarHBondContact O-N 2.88Å; S1112-R1115 VanDerWaalsContact O-N 3.1Å; S1112-R1116 WeakPolarHBondContact O-CB 3.42Å; S1112-R1116 PolarHBondContact O-N 2.75Å
1113	C	59.8	Low	54.2	Low	12 Å²	12	103.1 Å²	103.1	8%	0.081	51%	0.506	C	S	.	.	H	α-helix	trans	-58.8	-45.6	173.6	-167.9	0	0	0	0	110.8	C1086 N1109 K1110 R1115 R1116 S1117	C1086-C1113 HydrophobicContact CB-CB 3.68Å; C1086-C1113 WeakPolarHBondContact CB-SG 3.19Å; C1086-C1113 WeakPolarHBondContact SG-CB 3.06Å; C1086-C1113 CovalentContact SG-SG 2.04Å; C1086-C1113 PolarHBondContact SG-SG 2.87Å; N1109-C1113 WeakPolarHBondContact O-CB 3.39Å; N1109-C1113 PolarHBondContact O-N 2.87Å; K1110-C1113 WeakPolarHBondContact O-CB 3.3Å; K1110-C1113 PolarHBondContact O-N 2.83Å; C1113-R1115 VanDerWaalsContact C-N 3.31Å; C1113-R1115 PolarHBondContact O-N 3.14Å; C1113-R1116 PolarHBondContact O-N 2.75Å; C1113-S1117 PolarHBondContact O-N 2.77Å; C1113-S1117 VanDerWaalsContact O-N 3.17Å; C1113-S1117 PolarHBondContact O-OG 2.94Å
1114	N	53.4	Low	56.2	Low	125 Å²	125	96.9 Å²	96.9	67%	0.668	47%	0.473	S	S	*	.	H	α-helix	trans	-65.3	-28.6	174.1	-77.8	-16.9	0	0	0	113.9	K1110 S1112 S1117	K1110-N1114 PolarHBondContact O-N 3.12Å; S1112-N1114 PolarHBondContact O-N 3.02Å; N1114-S1117 PolarHBondContact O-OG 2.83Å
1115	R	52.5	Low	58.4	Low	201 Å²	201	97.3 Å²	97.3	76%	0.758	47%	0.469	S	S	*	.	H	α-helix	trans	-81.4	-36.2	176.2	-73.1	-175.3	-175	-178.3	2.6	112.6	Q1111 S1112 C1113	Q1111-R1115 PolarHBondContact O-N 2.91Å; S1112-R1115 PolarHBondContact O-N 2.88Å; S1112-R1115 VanDerWaalsContact O-N 3.1Å; C1113-R1115 VanDerWaalsContact C-N 3.31Å; C1113-R1115 PolarHBondContact O-N 3.14Å
1116	R	50.5	Low	60.5	Low	156 Å²	156	92.6 Å²	92.6	59%	0.589	45%	0.446	S	S	*	.	H	α-helix	trans	-77.2	-26.6	-177.3	-80.8	-175.6	177.9	179.5	0.1	113.6	S1112 C1113 N1118 L1119	S1112-R1116 WeakPolarHBondContact O-CB 3.42Å; S1112-R1116 PolarHBondContact O-N 2.75Å; C1113-R1116 PolarHBondContact O-N 2.75Å; R1116-N1118 PolarHBondContact O-N 2.78Å; R1116-L1119 HydrophobicContact CG-CD1 4.19Å
1117	S	49.5	Very low	62.5	Low	32 Å²	32	94 Å²	94	22%	0.224	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.6	-179.4	59.4	0	0	0	0	114.7	C1113 N1114	C1113-S1117 PolarHBondContact O-N 2.77Å; C1113-S1117 VanDerWaalsContact O-N 3.17Å; C1113-S1117 PolarHBondContact O-OG 2.94Å; N1114-S1117 PolarHBondContact O-OG 2.83Å
1118	N	48.7	Very low	64.5	Low	137 Å²	137	89.2 Å²	89.2	73%	0.733	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.7	30.9	-175.1	-75	-30.6	0	0	0	113.5	R1116 K1120	R1116-N1118 PolarHBondContact O-N 2.78Å; N1118-K1120 PolarHBondContact O-N 2.83Å
1119	L	51.2	Low	66.5	Low	80 Å²	80	88 Å²	88	42%	0.419	43%	0.425	S	S	.	.			trans	-72.8	94.3	172.5	-92.7	151.1	0	0	0	109.8	G1073 R1116 S1121	G1073-L1119 WeakPolarHBondContact CA-O 3.46Å; R1116-L1119 HydrophobicContact CG-CD1 4.19Å; L1119-S1121 PolarHBondContact O-N 2.8Å
1120	K	53.6	Low	68.3	Low	173 Å²	173	85 Å²	85	75%	0.752	41%	0.41	S	S	*	.			trans	-78.5	92.2	147.9	-73.6	-165.9	175	-160.7	0	107.2	I1072 N1118	I1072-K1120 WeakPolarHBondContact O-CA 3.12Å; N1118-K1120 PolarHBondContact O-N 2.83Å
1121	S	59.3	Low	69.9	Low	38 Å²	38	80 Å²	80	27%	0.266	39%	0.391	S	S	.	.			trans	-110.6	146.8	176	57.8	0	0	0	0	110	L1119 N1123	L1119-S1121 PolarHBondContact O-N 2.8Å; S1121-N1123 WeakPolarHBondContact CB-O 3.48Å; S1121-N1123 PolarHBondContact O-N 3.08Å; S1121-N1123 PolarHBondContact OG-O 2.93Å
1122	K	68	Low	71.6	Confident	185 Å²	185	77.6 Å²	77.6	80%	0.804	38%	0.379	S	S	*	.	S	Bend	trans	-61.8	-26.7	172.5	-77.2	-171.3	173.5	-172.5	0	112.8	T1063	T1063-K1122 WeakPolarHBondContact CG2-O 3.41Å
1123	N	84.1	Confident	73.6	Confident	97 Å²	97	76.2 Å²	76.2	52%	0.519	37%	0.368	S	S	.	.			trans	-127.1	124.4	178.5	-58.3	6.4	0	0	0	109	T1063 S1121 I1125	T1063-N1123 WeakPolarHBondContact OG1-CA 3.46Å; S1121-N1123 WeakPolarHBondContact CB-O 3.48Å; S1121-N1123 PolarHBondContact O-N 3.08Å; S1121-N1123 PolarHBondContact OG-O 2.93Å; N1123-I1125 HydrophobicContact CB-CD1 4.23Å; N1123-I1125 HydrophobicContact CB-CG1 4.26Å
1124	V	91.4	Very high	75.4	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.006	37%	0.366	C	S	.	.			trans	-103.7	84	178	-177.2	0	0	0	0	108.5	L1062 T1063 V1071 M1074	L1062-V1124 HydrophobicContact CB-CG1 4.38Å; L1062-V1124 WeakPolarHBondContact CB-O 3.38Å; L1062-V1124 PolarHBondContact N-O 2.84Å; T1063-V1124 PolarHBondContact OG1-N 3.4Å; V1071-V1124 HydrophobicContact CG1-CB 4.16Å; V1071-V1124 HydrophobicContact CG1-CG1 3.99Å; V1071-V1124 HydrophobicContact CG1-CG2 4.09Å; V1071-V1124 VanDerWaalsContact O-CG2 3.27Å; V1071-V1124 WeakPolarHBondContact O-CG2 3.29Å; M1074-V1124 HydrophobicContact CB-CG1 3.99Å; M1074-V1124 HydrophobicContact CE-CG1 4.01Å; M1074-V1124 HydrophobicContact CG-CG1 3.7Å; M1074-V1124 HydrophobicContact SD-CG1 3.44Å; M1074-V1124 WeakPolarHBondContact SD-CG1 3.32Å
1125	I	92.9	Very high	77.5	Confident	84 Å²	84	70.1 Å²	70.1	43%	0.431	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.8	-178.2	-59.1	169.8	0	0	0	109.5	L1060 D1061 M1074 N1123	L1060-I1125 CarbonylContact O-C 3.52Å; L1060-I1125 WeakPolarHBondContact O-CA 3.43Å; D1061-I1125 HydrophobicContact CB-CG1 4.16Å; M1074-I1125 WeakPolarHBondContact CE-O 3.23Å; N1123-I1125 HydrophobicContact CB-CD1 4.23Å; N1123-I1125 HydrophobicContact CB-CG1 4.26Å
1126	V	92.6	Very high	79.7	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	148.6	175.5	-63.1	0	0	0	0	111	L1043 S1059 L1060 L1062 M1074 I1128 Y1136	L1043-V1126 HydrophobicContact CD1-CG2 4.29Å; S1059-V1126 CarbonylContact C-O 3.54Å; S1059-V1126 VanDerWaalsContact CA-O 3.27Å; S1059-V1126 WeakPolarHBondContact CA-O 3.25Å; L1060-V1126 HydrophobicContact CB-CG2 3.99Å; L1060-V1126 PolarHBondContact N-O 2.8Å; L1060-V1126 PolarHBondContact O-N 2.68Å; L1062-V1126 HydrophobicContact CD1-CG1 3.65Å; L1062-V1126 HydrophobicContact CD1-CG2 4.02Å; L1062-V1126 HydrophobicContact CD2-CG2 4.34Å; L1062-V1126 HydrophobicContact CG-CG1 4.27Å; L1062-V1126 HydrophobicContact CG-CG2 4.05Å; M1074-V1126 HydrophobicContact CE-CG1 3.82Å; M1074-V1126 HydrophobicContact SD-CG1 3.35Å; M1074-V1126 WeakPolarHBondContact SD-CG1 3.48Å; V1126-I1128 HydrophobicContact CG2-CD1 4.4Å; V1126-I1128 HydrophobicContact CG2-CG1 4.32Å; V1126-Y1136 HydrophobicContact CB-CE2 3.97Å; V1126-Y1136 HydrophobicContact CG1-CD1 4.39Å; V1126-Y1136 HydrophobicContact CG1-CD2 4.13Å; V1126-Y1136 HydrophobicContact CG1-CE1 3.96Å; V1126-Y1136 HydrophobicContact CG1-CE2 3.65Å; V1126-Y1136 HydrophobicContact CG1-CG 4.48Å
1127	T	91.8	Very high	81.9	Confident	70 Å²	70	54 Å²	54	43%	0.429	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129	173.6	-56.3	0	0	0	0	109.7	P1057 H1058	P1057-T1127 HydrophobicContact CB-CG2 3.37Å; P1057-T1127 HydrophobicContact CG-CG2 4.45Å; H1058-T1127 CarbonylContact O-C 3.54Å; H1058-T1127 VanDerWaalsContact O-CA 3.32Å; H1058-T1127 WeakPolarHBondContact O-CA 3.41Å
1128	I	93.8	Very high	84.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	109.6	-173.6	-40.6	178.1	0	0	0	109.5	I1015 L1043 N1045 H1058 V1126 V1134	I1015-I1128 HydrophobicContact CD1-CD1 4.35Å; I1015-I1128 HydrophobicContact CG2-CD1 4.12Å; L1043-I1128 HydrophobicContact CB-CD1 3.62Å; L1043-I1128 HydrophobicContact CD1-CD1 3.77Å; L1043-I1128 HydrophobicContact CG-CD1 4.32Å; N1045-I1128 HydrophobicContact CB-CB 4.32Å; N1045-I1128 HydrophobicContact CB-CG2 3.7Å; N1045-I1128 PolarHBondContact ND2-O 3.19Å; N1045-I1128 VanDerWaalsContact ND2-O 3.13Å; H1058-I1128 PolarHBondContact N-O 2.8Å; H1058-I1128 PolarHBondContact O-N 3.32Å; V1126-I1128 HydrophobicContact CG2-CD1 4.4Å; V1126-I1128 HydrophobicContact CG2-CG1 4.32Å; I1128-V1134 HydrophobicContact CB-CG2 4.48Å; I1128-V1134 HydrophobicContact CD1-CG2 4.18Å; I1128-V1134 HydrophobicContact CG1-CG2 3.95Å; I1128-V1134 HydrophobicContact CG2-CG1 4.25Å; I1128-V1134 HydrophobicContact CG2-CG2 3.94Å
1129	E	90.1	Very high	86.2	Confident	98 Å²	98	48 Å²	48	46%	0.458	24%	0.24	S	C	.	.			trans	-68	142.4	177.6	-66.8	-63	152.1	0	0	111.7	N1045 P1057 G1131 K1132	N1045-E1129 WeakPolarHBondContact CB-O 3.4Å; P1057-E1129 VanDerWaalsContact CG-OE1 3.22Å; P1057-E1129 WeakPolarHBondContact CG-OE1 3.49Å; P1057-E1129 WeakPolarHBondContact CG-OE2 3.18Å; E1129-G1131 PolarHBondContact O-N 2.84Å; E1129-K1132 HydrophobicContact CB-CB 4.22Å; E1129-K1132 HydrophobicContact CB-CG 3.93Å; E1129-K1132 WeakPolarHBondContact O-CB 3.17Å; E1129-K1132 PolarHBondContact O-N 3.15Å; E1129-K1132 VanDerWaalsContact O-N 3.12Å
1130	P	89	Confident	88.1	Confident	20 Å²	20	45.1 Å²	45.1	13%	0.13	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	133.3	176	-28.4	36.1	0	0	0	113.3	Q1047 K1132	Q1047-P1130 HydrophobicContact CB-CB 4.28Å; P1130-K1132 PolarHBondContact O-N 2.72Å
1131	G	87.8	Confident	89.9	Confident	10 Å²	10	41.8 Å²	41.8	10%	0.103	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	4.1	179	0	0	0	0	0	115.5	R846 N1045 E1129	R846-G1131 PolarHBondContact NH2-O 2.7Å; R846-G1131 VanDerWaalsContact NH2-O 3.11Å; N1045-G1131 VanDerWaalsContact O-CA 3.3Å; N1045-G1131 WeakPolarHBondContact O-CA 3.49Å; N1045-G1131 PolarHBondContact O-N 3.2Å; E1129-G1131 PolarHBondContact O-N 2.84Å
1132	K	90.4	Very high	91.3	Very high	71 Å²	71	43.3 Å²	43.3	31%	0.309	22%	0.216	S	C	.	.			trans	-103.6	145.4	-179.6	-64.3	-61.3	-177	-177.8	0	112.6	E1044 N1045 E1129 P1130	E1044-K1132 WeakPolarHBondContact CA-O 3.44Å; N1045-K1132 PolarHBondContact N-O 3.33Å; E1129-K1132 HydrophobicContact CB-CB 4.22Å; E1129-K1132 HydrophobicContact CB-CG 3.93Å; E1129-K1132 WeakPolarHBondContact O-CB 3.17Å; E1129-K1132 PolarHBondContact O-N 3.15Å; E1129-K1132 VanDerWaalsContact O-N 3.12Å; P1130-K1132 PolarHBondContact O-N 2.72Å
1133	I	95.5	Very high	92.1	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.2	166.4	-58.6	168.4	0	0	0	107.1	Y164 I168 L206 L1018 L1043 E1044 L1079	Y164-I1133 HydrophobicContact CD2-CD1 4.3Å; Y164-I1133 HydrophobicContact CE2-CD1 4.18Å; I168-I1133 HydrophobicContact CD1-CD1 4.11Å; L206-I1133 HydrophobicContact CD2-CD1 4.12Å; L1018-I1133 HydrophobicContact CD2-CD1 3.92Å; L1018-I1133 HydrophobicContact CD2-CG1 4.33Å; L1018-I1133 HydrophobicContact CD2-CG2 3.94Å; L1043-I1133 WeakPolarHBondContact O-CA 3.37Å; E1044-I1133 HydrophobicContact CB-CG1 4.01Å; E1044-I1133 HydrophobicContact CG-CG1 3.75Å; L1079-I1133 HydrophobicContact CD1-CB 4.3Å; L1079-I1133 HydrophobicContact CD1-CD1 4.46Å; L1079-I1133 HydrophobicContact CD1-CG2 3.69Å
1134	V	96.9	Very high	91.3	Very high	6 Å²	6	40.3 Å²	40.3	4%	0.036	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.8	172.6	-65.3	0	0	0	0	109.1	R1042 L1043 I1128 Y1136	R1042-V1134 WeakPolarHBondContact CA-O 3.46Å; L1043-V1134 HydrophobicContact CB-CG2 3.96Å; L1043-V1134 PolarHBondContact N-O 2.98Å; L1043-V1134 WeakPolarHBondContact O-CG2 3.29Å; L1043-V1134 PolarHBondContact O-N 2.91Å; I1128-V1134 HydrophobicContact CB-CG2 4.48Å; I1128-V1134 HydrophobicContact CD1-CG2 4.18Å; I1128-V1134 HydrophobicContact CG1-CG2 3.95Å; I1128-V1134 HydrophobicContact CG2-CG1 4.25Å; I1128-V1134 HydrophobicContact CG2-CG2 3.94Å; V1134-Y1136 HydrophobicContact CB-CD2 4.38Å; V1134-Y1136 HydrophobicContact CB-CE2 3.64Å; V1134-Y1136 HydrophobicContact CG2-CD2 4.24Å; V1134-Y1136 HydrophobicContact CG2-CE2 3.55Å
1135	T	98.4	Very high	89.3	Confident	4 Å²	4	45 Å²	45	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.9	180	-53.9	0	0	0	0	108.9	L1040 I1041 R1042 V1077	L1040-T1135 HydrophobicContact CD1-CG2 4.2Å; L1040-T1135 HydrophobicContact CD2-CG2 4.41Å; L1040-T1135 HydrophobicContact CG-CG2 4.17Å; I1041-T1135 WeakPolarHBondContact O-CA 3.14Å; R1042-T1135 HydrophobicContact CG-CG2 3.83Å; V1077-T1135 HydrophobicContact CG2-CG2 3.59Å; V1077-T1135 WeakPolarHBondContact CG2-O 3.49Å; V1077-T1135 PolarHBondContact N-O 3Å
1136	Y	97.7	Very high	86.6	Confident	14 Å²	14	47.3 Å²	47.3	6%	0.055	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.2	178.2	-63.3	-87.4	0	0	0	111	L1040 I1041 M1074 K1075 E1076 V1126 V1134	L1040-Y1136 WeakPolarHBondContact CA-O 3.22Å; I1041-Y1136 PolarHBondContact N-O 3.22Å; I1041-Y1136 PolarHBondContact O-N 3.4Å; M1074-Y1136 HydrophobicContact CB-CD1 4.44Å; M1074-Y1136 HydrophobicContact CG-CD1 4.42Å; M1074-Y1136 HydrophobicContact SD-CD1 3.85Å; M1074-Y1136 HydrophobicContact SD-CE1 3.93Å; K1075-Y1136 VanDerWaalsContact O-CA 3.31Å; K1075-Y1136 WeakPolarHBondContact O-CA 3.47Å; E1076-Y1136 HydrophobicContact CB-CD1 3.92Å; E1076-Y1136 HydrophobicContact CB-CE1 3.6Å; E1076-Y1136 HydrophobicContact CG-CD1 4.24Å; E1076-Y1136 HydrophobicContact CG-CE1 3.72Å; V1126-Y1136 HydrophobicContact CB-CE2 3.97Å; V1126-Y1136 HydrophobicContact CG1-CD1 4.39Å; V1126-Y1136 HydrophobicContact CG1-CD2 4.13Å; V1126-Y1136 HydrophobicContact CG1-CE1 3.96Å; V1126-Y1136 HydrophobicContact CG1-CE2 3.65Å; V1126-Y1136 HydrophobicContact CG1-CG 4.48Å; V1134-Y1136 HydrophobicContact CB-CD2 4.38Å; V1134-Y1136 HydrophobicContact CB-CE2 3.64Å; V1134-Y1136 HydrophobicContact CG2-CD2 4.24Å; V1134-Y1136 HydrophobicContact CG2-CE2 3.55Å
1137	I	96.8	Very high	84	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.8	162	-56.4	-52.5	0	0	0	107.9	W1023 Q1038 I1039 L1040 M1074 K1075 V1077	W1023-I1137 HydrophobicContact CB-CD1 4.21Å; W1023-I1137 HydrophobicContact CD2-CD1 3.57Å; W1023-I1137 HydrophobicContact CE3-CD1 4.2Å; W1023-I1137 HydrophobicContact CG-CD1 3.57Å; W1023-I1137 HydrophobicContact CG-CG1 4.44Å; W1023-I1137 HydrophobicContact CG-CG2 4.3Å; W1023-I1137 HydrophobicContact CZ2-CD1 4.38Å; Q1038-I1137 HydrophobicContact CB-CG2 3.65Å; Q1038-I1137 HydrophobicContact CG-CG2 4.1Å; I1039-I1137 CarbonylContact O-C 3.48Å; I1039-I1137 WeakPolarHBondContact O-CA 3.25Å; L1040-I1137 HydrophobicContact CB-CD1 3.79Å; L1040-I1137 HydrophobicContact CD1-CD1 3.83Å; L1040-I1137 HydrophobicContact CG-CD1 3.91Å; M1074-I1137 CarbonylContact C-O 3.57Å; M1074-I1137 VanDerWaalsContact CA-O 3.29Å; M1074-I1137 WeakPolarHBondContact CA-O 3.44Å; K1075-I1137 PolarHBondContact N-O 3.36Å; K1075-I1137 PolarHBondContact O-N 2.84Å; V1077-I1137 HydrophobicContact CG1-CG1 4.05Å; V1077-I1137 HydrophobicContact CG2-CD1 4.38Å; V1077-I1137 HydrophobicContact CG2-CG1 4.03Å
1138	L	95.7	Very high	81.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.9	-175.4	-50.3	-178.4	0	0	0	111.4	Q1038 I1039 I1041 L1062 I1066 V1071 G1073 M1074	Q1038-L1138 WeakPolarHBondContact CA-O 3.49Å; Q1038-L1138 WeakPolarHBondContact CB-O 3.09Å; I1039-L1138 HydrophobicContact CB-CB 4.23Å; I1039-L1138 HydrophobicContact CG2-CD1 4.47Å; I1039-L1138 PolarHBondContact N-O 3.15Å; I1039-L1138 VanDerWaalsContact N-O 3.14Å; I1039-L1138 PolarHBondContact O-N 3.28Å; I1041-L1138 HydrophobicContact CB-CD1 4.32Å; I1041-L1138 HydrophobicContact CG2-CD1 3.79Å; I1041-L1138 HydrophobicContact CG2-CD2 4.07Å; I1041-L1138 HydrophobicContact CG2-CG 3.92Å; L1062-L1138 HydrophobicContact CD1-CD2 4.13Å; I1066-L1138 HydrophobicContact CD1-CD1 4.09Å; V1071-L1138 HydrophobicContact CG1-CB 4.05Å; V1071-L1138 HydrophobicContact CG1-CD1 4.31Å; V1071-L1138 HydrophobicContact CG1-CD2 4.19Å; V1071-L1138 HydrophobicContact CG1-CG 4.42Å; V1071-L1138 HydrophobicContact CG2-CD1 4.14Å; G1073-L1138 WeakPolarHBondContact O-CA 3.42Å; M1074-L1138 HydrophobicContact CB-CD2 3.7Å
1139	D	93.3	Very high	78.1	Confident	41 Å²	41	64.2 Å²	64.2	22%	0.219	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	136.2	165.2	-65.6	-48.6	0	0	0	108.3	Q1038 I1072 G1073	Q1038-D1139 PolarHBondContact NE2-OD1 2.79Å; I1072-D1139 HydrophobicContact CG1-CB 4.18Å; I1072-D1139 WeakPolarHBondContact CG1-O 3.28Å; I1072-D1139 PolarHBondContact N-O 2.97Å; G1073-D1139 PolarHBondContact N-O 3.41Å; G1073-D1139 PolarHBondContact O-N 3.46Å
1140	Y	91.8	Very high	75.3	Confident	21 Å²	21	66.3 Å²	66.3	8%	0.082	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	158.3	-174.3	66.7	-90.2	0	0	0	112.8	L425 M428 N1037 I1039 I1069 E1070 L1142	L425-Y1140 HydrophobicContact CD2-CD2 3.93Å; L425-Y1140 HydrophobicContact CD2-CE1 4.21Å; L425-Y1140 HydrophobicContact CD2-CE2 3.24Å; L425-Y1140 VanDerWaalsContact CD2-CZ 3.4Å; M428-Y1140 HydrophobicContact CE-CE2 3.85Å; N1037-Y1140 VanDerWaalsContact O-CE1 3.31Å; N1037-Y1140 WeakPolarHBondContact O-CE1 3.42Å; I1039-Y1140 HydrophobicContact CD1-CD1 3.8Å; I1039-Y1140 HydrophobicContact CD1-CE1 3.99Å; I1039-Y1140 HydrophobicContact CD1-CG 4.37Å; I1039-Y1140 HydrophobicContact CG1-CD1 3.83Å; I1039-Y1140 HydrophobicContact CG1-CE1 3.73Å; I1069-Y1140 HydrophobicContact CB-CD2 4.1Å; I1069-Y1140 HydrophobicContact CB-CG 4.48Å; I1069-Y1140 HydrophobicContact CD1-CD1 4.44Å; I1069-Y1140 HydrophobicContact CD1-CD2 4.16Å; I1069-Y1140 HydrophobicContact CD1-CG 3.87Å; I1069-Y1140 HydrophobicContact CG2-CD2 3.7Å; I1069-Y1140 HydrophobicContact CG2-CE2 4.18Å; I1069-Y1140 HydrophobicContact CG2-CG 4.44Å; E1070-Y1140 CarbonylContact O-C 3.57Å; E1070-Y1140 VanDerWaalsContact O-CA 3.23Å; E1070-Y1140 WeakPolarHBondContact O-CA 3.36Å; E1070-Y1140 WeakPolarHBondContact O-CB 3.18Å; Y1140-L1142 HydrophobicContact CD2-CD2 4.36Å; Y1140-L1142 HydrophobicContact CE2-CD2 3.93Å
1141	E	90.2	Very high	72.6	Confident	103 Å²	103	72.3 Å²	72.3	48%	0.481	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.5	166.7	-70.9	-179.5	-174.2	0	0	109.3	I1069 E1070 I1072 L1143	I1069-E1141 CarbonylContact C-O 3.45Å; I1069-E1141 VanDerWaalsContact CA-O 3.31Å; I1069-E1141 WeakPolarHBondContact CA-O 3.44Å; I1069-E1141 WeakPolarHBondContact CB-O 3.33Å; E1070-E1141 PolarHBondContact N-O 2.77Å; E1070-E1141 PolarHBondContact O-N 2.92Å; I1072-E1141 HydrophobicContact CD1-CG 3.86Å; I1072-E1141 HydrophobicContact CG1-CG 4.33Å; I1072-E1141 HydrophobicContact CG2-CB 4.24Å; I1072-E1141 HydrophobicContact CG2-CG 3.95Å; E1141-L1143 PolarHBondContact O-N 3.19Å
1142	L	88.3	Confident	69.9	Low	69 Å²	69	77.2 Å²	77.2	36%	0.361	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	128.5	174.2	-61.2	178.3	0	0	0	108.5	L425 M428 I1069 Y1140 N1144	L425-L1142 HydrophobicContact CB-CD2 4.27Å; L425-L1142 HydrophobicContact CD2-CD2 4.15Å; L425-L1142 WeakPolarHBondContact O-CD1 3.42Å; L425-L1142 WeakPolarHBondContact O-CD2 3.39Å; M428-L1142 HydrophobicContact CE-CD1 4.45Å; M428-L1142 HydrophobicContact CE-CG 4.4Å; M428-L1142 HydrophobicContact CG-CD1 4.32Å; M428-L1142 HydrophobicContact SD-CD1 4.2Å; I1069-L1142 HydrophobicContact CG2-CD2 3.78Å; Y1140-L1142 HydrophobicContact CD2-CD2 4.36Å; Y1140-L1142 HydrophobicContact CE2-CD2 3.93Å; L1142-N1144 PolarHBondContact O-N 3.29Å
1143	L	86.7	Confident	67	Low	61 Å²	61	82.8 Å²	82.8	32%	0.319	39%	0.389	S	S	.	.			trans	-70.5	121.4	167.6	-68.8	172.1	0	0	0	106.6	G1068 E1070 E1141 E1145	G1068-L1143 PolarHBondContact O-N 2.76Å; E1070-L1143 HydrophobicContact CB-CD2 3.94Å; E1070-L1143 HydrophobicContact CB-CG 4.32Å; E1141-L1143 PolarHBondContact O-N 3.19Å; L1143-E1145 HydrophobicContact CB-CG 4.44Å; L1143-E1145 PolarHBondContact O-N 3.19Å
1144	N	65.3	Low	64	Low	159 Å²	159	86.6 Å²	86.6	85%	0.85	42%	0.416	S	S	*	.			trans	-67	62.6	163.4	-75.1	-24.6	0	0	0	108.2	L1142 N1146	L1142-N1144 PolarHBondContact O-N 3.29Å; N1144-N1146 PolarHBondContact O-N 2.97Å
1145	E	50.5	Low	61	Low	99 Å²	99	92.6 Å²	92.6	46%	0.463	45%	0.447	S	S	.	.			trans	-59.6	130.8	153.4	-72.7	-168.8	169.6	0	0	105.1	L1143 Y1147	L1143-E1145 HydrophobicContact CB-CG 4.44Å; L1143-E1145 PolarHBondContact O-N 3.19Å; E1145-Y1147 PolarHBondContact O-N 3.26Å
1146	N	35.3	Very low	57.9	Low	133 Å²	133	100.9 Å²	100.9	71%	0.711	48%	0.483	S	S	*	.			trans	-59.2	75.2	169.2	-66.3	-50.8	0	0	0	108.9	N1144 H1148	N1144-N1146 PolarHBondContact O-N 2.97Å; N1146-H1148 PolarHBondContact O-N 3.15Å
1147	Y	39	Very low	54.7	Low	176 Å²	176	107.4 Å²	107.4	69%	0.69	52%	0.519	S	S	*	.			trans	-60.9	73.6	138.8	-84.8	-84.1	0	0	0	104.6	E1145 H1149	E1145-Y1147 PolarHBondContact O-N 3.26Å; Y1147-H1149 PolarHBondContact O-N 3.03Å
1148	H	31.6	Very low	51.6	Low	118 Å²	118	116.8 Å²	116.8	55%	0.546	56%	0.56	S	S	.	*			trans	-43.1	119.4	162.2	-86.4	-84.8	0	0	0	104.8	N1146 H1150	N1146-H1148 PolarHBondContact O-N 3.15Å; H1148-H1150 HydrophobicContact CB-CB 4.07Å; H1148-H1150 WeakPolarHBondContact CB-CD2 3.4Å; H1148-H1150 AromaticContact CG-CD2 3.45Å; H1148-H1150 VanDerWaalsContact CG-CD2 3.45Å; H1148-H1150 AromaticContact CG-NE2 3.84Å; H1148-H1150 AromaticContact ND1-CD2 3.65Å; H1148-H1150 AromaticContact ND1-NE2 3.57Å; H1148-H1150 PolarHBondContact O-N 3.48Å
1149	H	30.6	Very low	48.5	Very low	133 Å²	133	129.6 Å²	129.6	62%	0.616	62%	0.62	S	S	*	*			trans	-54.9	44.2	148.4	-78.9	-77.3	0	0	0	110.9	Y1147 H1151 Y1153	Y1147-H1149 PolarHBondContact O-N 3.03Å; H1149-H1151 PolarHBondContact O-N 2.76Å; H1149-Y1153 HydrophobicContact CB-CD2 4.43Å
1150	H	30.5	Very low	46.3	Very low	141 Å²	141	134.1 Å²	134.1	65%	0.653	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	78.5	155.6	-82.8	-54.4	0	0	0	106	H1148	H1148-H1150 HydrophobicContact CB-CB 4.07Å; H1148-H1150 WeakPolarHBondContact CB-CD2 3.4Å; H1148-H1150 AromaticContact CG-CD2 3.45Å; H1148-H1150 VanDerWaalsContact CG-CD2 3.45Å; H1148-H1150 AromaticContact CG-NE2 3.84Å; H1148-H1150 AromaticContact ND1-CD2 3.65Å; H1148-H1150 AromaticContact ND1-NE2 3.57Å; H1148-H1150 PolarHBondContact O-N 3.48Å
1151	H	32.4	Very low	43.9	Very low	146 Å²	146	140 Å²	140	68%	0.676	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	144.7	5.1	146.9	-77.2	-64.7	0	0	0	116.9	H1149	H1149-H1151 PolarHBondContact O-N 2.76Å
1152	I	31.9	Very low	41.3	Very low	114 Å²	114	142.1 Å²	142.1	59%	0.585	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-14.4	177.2	-61.1	-178.2	0	0	0	114.8
1153	Y	28.3	Very low	38.5	Very low	188 Å²	188	146.4 Å²	146.4	74%	0.737	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	8.9	172.1	-80.4	-74	0	0	0	115.5	H1149	H1149-Y1153 HydrophobicContact CB-CD2 4.43Å
1154	S	32.8	Very low	35.5	Very low	87 Å²	87	151.7 Å²	151.7	61%	0.608	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	11.6	171.8	82.4	0	0	0	0	114.8
1155	L	34.2	Very low	33.5	Very low	132 Å²	132	151.2 Å²	151.2	69%	0.691	71%	0.714	S	S	*	*	S	Bend	trans	-124.9	5.6	178.3	-86.2	163.7	0	0	0	114.9
1156	F	33.9	Very low	32.3	Very low	178 Å²	178	154.9 Å²	154.9	78%	0.781	73%	0.732	S	S	*	*	S	Bend	trans	-120	62.2	166.6	-70.4	-74.9	0	0	0	110.1
1157	N	29	Very low	32.1	Very low	151 Å²	151	156.6 Å²	156.6	81%	0.807	73%	0.734	S	S	*	*			trans	-147.5	76	155.6	-96.7	-15.8	0	0	0	106.5
1158	F	32.8	Very low	31.5	Very low	203 Å²	203	155 Å²	155	89%	0.89	74%	0.737	S	S	*	*			trans	-123.3	118.1	150.3	-98.2	-83.1	0	0	0	105.3
1159	E	30.3	Very low	31.5	Very low	269 Å²	269	158.4 Å²	158.4	100%	1.257	76%	0.755	S	S	*	*			trans	-50.7	0	161.3	-74.1	-178.8	143.8	0	0	111.4

Retrieved 1,159 of 1,159 residues in 2336.5 ms (Link to these results)

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