A0A913KNZ2_SCHMA Loading...

PH domain-containing protein

AlphaFold DB (A0A5K4F3W5), UniProt , Accession A0A913KNZ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 928 aa.

						>A0A913KNZ2_SCHMA|A0A913KNZ2
MYSDELCGSSSINRLEIDEPRKFGHFLQNIENQEKEMIASFNEFDSNEHAKFGNSMYSGKNPSTEFLYLGELLKALEKAGLKYEDYLNTMDDLKNNNEPEEDNQENMELDEYILEATSDPSNKSYNKDILGVHQNTFPVKPSIVSGNGNIVVDNQSKVEIVHQRLSKEIMKYEKAKRDSYIDTLENVKLWINKAHLPLNEICLSSKENDLNNQPNNKSQVNDSISPDMLPDFDSEEAYVNNRLKELENEMKSEREHLKRIQQIKNESFTVHSNYQLHRWRSLLNIEQINLTTRYFHDEYKIRPQSAVERHSNSGKLCDRTKLLERNLGYYFGLPDETGTSHWGDGCECGSCLQEKTETVVANTENYSRCKVEEVGKPSVVEVSVDAAKFTVPTKPTEDDKASRPGTSSSLTLQLAYGNDASCHSSSLALSDLKELGTQSMTSQCPVAAIGPSTFQNVCDEVDRSVVEVSSVTGNHNVLTEQTGEKAVSSLDPLAATTTALFDVNDSTNELTSMTSCAARKSHENPDNDVSSIPEILSGSENCDSNFSRLNNSSQIKQSEKSTQTTNLIEYIHKQIINLNSHNTNVETEPSVFMRELSCQAVYLNCFNVKFGITNFSSISTYFTFLKFLTINECDLKSNDLKGITQLNNLEFLDASRNHLNVNYIELAYNKMTKLSDIMGCFPNLLMLDISSNYITTLDIQKLVISFPKLYQLMASSNLITCIQIKSSTTKWTNENLNLLDLSDNEITVIDQDSIPLTNITRLQLSSNILNKPFQTGFYGVILQELILDHNNLTSINWLGDSWLPNLIYLNVSHNRITDLPILPFPLLQKLIISHNLINEIESLFKGTKFLPRNCMLDIRCNPCTLGLNFMETIKEEFPNTITTSNQDSESTMTIFQNHEFQTTVFSGSICQCSQCIRLRISCEQYHKE
					

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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	30.4	Very low	26.9	Very low	222 Å²	222	142.7 Å²	142.7	100%	1.094	83%	0.828	S	S	*	*				0	136.1	0	-72.8	169.3	80.3	0	0	106.2
2	Y	27.9	Very low	26.9	Very low	210 Å²	210	141 Å²	141	82%	0.824	81%	0.811	S	S	*	*			trans	30.1	102.3	170.5	-54.8	-78.2	0	0	0	117.7
3	S	24.9	Very low	27	Very low	80 Å²	80	140 Å²	140	56%	0.559	80%	0.802	S	S	*	*			cis	86.8	147.8	49.5	77.3	0	0	0	0	114.2
4	D	31.1	Very low	27	Very low	140 Å²	140	147.7 Å²	147.7	75%	0.749	81%	0.811	S	S	*	*			trans	65	98	164.6	-34.5	-52	0	0	0	114
5	E	26.1	Very low	27.1	Very low	172 Å²	172	148.1 Å²	148.1	80%	0.804	81%	0.811	S	S	*	*			cis	64.2	145.1	30.1	-129.2	176.2	-127.5	0	0	113.9
6	L	26.2	Very low	27.2	Very low	176 Å²	176	147.4 Å²	147.4	92%	0.921	80%	0.8	S	S	*	*			trans	71.1	85	-168.9	-58.5	170.3	0	0	0	116.8
7	C	25.4	Very low	27.6	Very low	142 Å²	142	145.9 Å²	145.9	96%	0.959	79%	0.79	S	S	*	*			trans	-141.4	82.3	158.4	-150.1	0	0	0	0	110.4
8	G	24	Very low	27.9	Very low	63 Å²	63	143.7 Å²	143.7	65%	0.649	78%	0.777	S	S	*	*			trans	-147.9	156	-178.9	0	0	0	0	0	112
9	S	25.1	Very low	28.1	Very low	123 Å²	123	142.6 Å²	142.6	86%	0.86	77%	0.767	S	S	*	*			trans	64.8	118.5	-174.2	75.6	0	0	0	0	116.5
10	S	28.1	Very low	28.3	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	75%	0.748	S	S	*	*			trans	173.2	76.4	141.8	58.3	0	0	0	0	110.6	I12	S10-I12 VanDerWaalsContact C-N 3.27Å; S10-I12 PolarHBondContact O-N 3.49Å
11	S	26.3	Very low	28.5	Very low	135 Å²	135	139.5 Å²	139.5	94%	0.944	74%	0.741	S	S	*	*			trans	-82.5	60.9	-179	-58.1	0	0	0	0	112.6
12	I	26.9	Very low	28.8	Very low	122 Å²	122	135.3 Å²	135.3	63%	0.626	72%	0.717	S	S	*	*			trans	-128.7	159.9	-175.6	-61.7	179.1	0	0	0	110.1	S10	S10-I12 VanDerWaalsContact C-N 3.27Å; S10-I12 PolarHBondContact O-N 3.49Å
13	N	28.2	Very low	29.2	Very low	128 Å²	128	128.5 Å²	128.5	68%	0.684	69%	0.691	S	S	*	*	S	Bend	trans	87	64.6	-177.2	-51.3	-87.3	0	0	0	116.1
14	R	27.9	Very low	29.8	Very low	248 Å²	248	126.3 Å²	126.3	94%	0.936	68%	0.681	S	S	*	*	S	Bend	trans	-169.2	-6.8	146.6	-109.4	162.8	-161.9	-155	2.9	116.7
15	L	27.9	Very low	30.6	Very low	153 Å²	153	126.3 Å²	126.3	80%	0.801	68%	0.677	S	S	*	*			trans	-110.1	90.8	173.1	-73.3	162.7	0	0	0	109
16	E	29.7	Very low	31.2	Very low	138 Å²	138	121.3 Å²	121.3	65%	0.645	65%	0.652	S	S	*	*			trans	-157.8	16.7	-170.1	-135.3	162.4	-142.2	0	0	116.3
17	I	33.1	Very low	32.1	Very low	122 Å²	122	115.4 Å²	115.4	63%	0.626	62%	0.621	S	S	*	*	S	Bend	trans	-134.7	-34.7	179.8	-59.4	-178.4	0	0	0	113.9
18	D	33	Very low	33.4	Very low	105 Å²	105	113.2 Å²	113.2	56%	0.561	60%	0.597	S	S	*	*	H	α-helix	trans	-82.6	-30.9	-174.1	-89.2	-17.3	0	0	0	114.6	R21 K22	D18-R21 WeakPolarHBondContact O-CB 3.48Å; D18-R21 PolarHBondContact O-N 3.03Å; D18-K22 WeakPolarHBondContact O-CG 3.47Å; D18-K22 PolarHBondContact O-N 2.97Å
19	E	32.5	Very low	34.6	Very low	124 Å²	124	114.5 Å²	114.5	58%	0.579	59%	0.589	S	S	*	*	H	α-helix	trans	-69.6	-42.7	-175.4	-60.1	-170.6	151.5	0	0	113.5	R21 K22 F23	E19-R21 PolarHBondContact O-N 3.46Å; E19-K22 WeakPolarHBondContact O-CB 3.47Å; E19-K22 PolarHBondContact O-N 3.11Å; E19-K22 VanDerWaalsContact O-N 3.09Å; E19-F23 PolarHBondContact O-N 2.8Å
20	P	30.9	Very low	35.5	Very low	59 Å²	59	109.7 Å²	109.7	38%	0.383	55%	0.554	S	S	.	*	H	α-helix	trans	-62.5	-28.3	173.9	-22.1	34.3	0	0	0	113.1	G24 I201	P20-G24 PolarHBondContact O-N 3.09Å; P20-I201 HydrophobicContact CB-CD1 3.23Å; P20-I201 HydrophobicContact CG-CD1 4.46Å
21	R	33.1	Very low	36.7	Very low	160 Å²	160	108.9 Å²	108.9	60%	0.604	54%	0.538	S	S	*	.	H	α-helix	trans	-72.3	-40.8	171.9	-76.3	179.4	169.1	171.9	-1.2	113	D18 E19 F23 G24 H25	D18-R21 WeakPolarHBondContact O-CB 3.48Å; D18-R21 PolarHBondContact O-N 3.03Å; E19-R21 PolarHBondContact O-N 3.46Å; R21-F23 VanDerWaalsContact C-N 3.32Å; R21-G24 PolarHBondContact O-N 3.46Å; R21-H25 PolarHBondContact O-N 3.48Å
22	K	36.3	Very low	38.2	Very low	135 Å²	135	106 Å²	106	59%	0.587	51%	0.512	S	S	*	.	H	α-helix	trans	-60.2	-44.8	172	-69	171	-172.1	169.5	0	110.4	D18 E19 H25 F26	D18-K22 WeakPolarHBondContact O-CG 3.47Å; D18-K22 PolarHBondContact O-N 2.97Å; E19-K22 WeakPolarHBondContact O-CB 3.47Å; E19-K22 PolarHBondContact O-N 3.11Å; E19-K22 VanDerWaalsContact O-N 3.09Å; K22-H25 PolarHBondContact O-N 3.1Å; K22-F26 VanDerWaalsContact O-CB 3.32Å; K22-F26 WeakPolarHBondContact O-CB 3.48Å; K22-F26 PolarHBondContact O-N 2.99Å
23	F	36	Very low	39.1	Very low	66 Å²	66	102.6 Å²	102.6	29%	0.289	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-42.3	178.4	-163.3	-105.5	0	0	0	112.4	E19 R21 H25 F26 L27 I191 L196 L198	E19-F23 PolarHBondContact O-N 2.8Å; R21-F23 VanDerWaalsContact C-N 3.32Å; F23-H25 PolarHBondContact O-N 3.22Å; F23-F26 WeakPolarHBondContact O-CB 3.42Å; F23-F26 PolarHBondContact O-N 3.31Å; F23-L27 HydrophobicContact CD1-CD1 3.92Å; F23-L27 HydrophobicContact CD1-CG 4.34Å; F23-L27 HydrophobicContact CE1-CD1 3.73Å; F23-L27 HydrophobicContact CE1-CD2 4.47Å; F23-L27 HydrophobicContact CE1-CG 4.15Å; F23-L27 WeakPolarHBondContact O-CG 3.19Å; F23-L27 PolarHBondContact O-N 2.89Å; F23-I191 HydrophobicContact CE1-CG2 4.25Å; F23-I191 HydrophobicContact CZ-CD1 4.3Å; F23-I191 HydrophobicContact CZ-CG1 4.43Å; F23-I191 HydrophobicContact CZ-CG2 4.01Å; F23-L196 HydrophobicContact CE1-CD1 4.46Å; F23-L196 HydrophobicContact CZ-CD1 4.21Å; F23-L198 HydrophobicContact CE1-CD2 4.32Å
24	G	38.7	Very low	40	Very low	34 Å²	34	99.1 Å²	99.1	35%	0.351	47%	0.473	S	S	.	.	H	α-helix	trans	-60.5	-43.9	172.8	0	0	0	0	0	113.3	P20 R21 F26 Q28	P20-G24 PolarHBondContact O-N 3.09Å; R21-G24 PolarHBondContact O-N 3.46Å; G24-F26 VanDerWaalsContact C-N 3.32Å; G24-F26 PolarHBondContact O-N 3.31Å; G24-Q28 WeakPolarHBondContact O-CB 3.4Å; G24-Q28 PolarHBondContact O-N 3.02Å; G24-Q28 VanDerWaalsContact O-N 3.1Å
25	H	47.4	Very low	41.4	Very low	140 Å²	140	92.6 Å²	92.6	65%	0.648	45%	0.451	S	S	*	.	H	α-helix	trans	-64.5	-35.2	173	-95.9	-75.5	0	0	0	113	R21 K22 F23 Q28 N29	R21-H25 PolarHBondContact O-N 3.48Å; K22-H25 PolarHBondContact O-N 3.1Å; F23-H25 PolarHBondContact O-N 3.22Å; H25-Q28 PolarHBondContact O-N 3.48Å; H25-N29 PolarHBondContact O-N 2.67Å
26	F	39	Very low	42.4	Very low	68 Å²	68	90.1 Å²	90.1	30%	0.298	44%	0.436	S	S	.	.	H	α-helix	trans	-66.8	-48.1	178	178.2	-105.9	0	0	0	111.9	K22 F23 G24 Q28 N29 I30 L243	K22-F26 VanDerWaalsContact O-CB 3.32Å; K22-F26 WeakPolarHBondContact O-CB 3.48Å; K22-F26 PolarHBondContact O-N 2.99Å; F23-F26 WeakPolarHBondContact O-CB 3.42Å; F23-F26 PolarHBondContact O-N 3.31Å; G24-F26 VanDerWaalsContact C-N 3.32Å; G24-F26 PolarHBondContact O-N 3.31Å; F26-Q28 VanDerWaalsContact C-N 3.29Å; F26-Q28 PolarHBondContact O-N 2.93Å; F26-N29 WeakPolarHBondContact O-CB 3.43Å; F26-N29 PolarHBondContact O-N 3.26Å; F26-N29 VanDerWaalsContact O-N 3.11Å; F26-I30 HydrophobicContact CD1-CD1 4.17Å; F26-I30 HydrophobicContact CE1-CD1 3.6Å; F26-I30 HydrophobicContact CZ-CD1 3.78Å; F26-I30 HydrophobicContact CZ-CG1 4.47Å; F26-I30 PolarHBondContact O-N 2.94Å; F26-I30 VanDerWaalsContact O-N 3.1Å; F26-L243 HydrophobicContact CE1-CD1 4.35Å; F26-L243 HydrophobicContact CZ-CD1 3.88Å; F26-L243 HydrophobicContact CZ-CD2 4.26Å
27	L	44.4	Very low	42.9	Very low	51 Å²	51	86.9 Å²	86.9	27%	0.267	42%	0.422	S	S	.	.	H	α-helix	trans	-58.1	-41.5	172.5	-69.7	174.5	0	0	0	111.9	F23 N29 I30 E31 I191 L198	F23-L27 HydrophobicContact CD1-CD1 3.92Å; F23-L27 HydrophobicContact CD1-CG 4.34Å; F23-L27 HydrophobicContact CE1-CD1 3.73Å; F23-L27 HydrophobicContact CE1-CD2 4.47Å; F23-L27 HydrophobicContact CE1-CG 4.15Å; F23-L27 WeakPolarHBondContact O-CG 3.19Å; F23-L27 PolarHBondContact O-N 2.89Å; L27-N29 VanDerWaalsContact C-N 3.31Å; L27-N29 PolarHBondContact O-N 3.17Å; L27-I30 PolarHBondContact O-N 2.98Å; L27-E31 PolarHBondContact O-N 3.35Å; L27-I191 HydrophobicContact CD2-CD1 4.2Å; L27-L198 HydrophobicContact CD1-CD2 3.82Å
28	Q	52.7	Low	43.5	Very low	96 Å²	96	83.8 Å²	83.8	45%	0.449	41%	0.405	S	S	.	.	H	α-helix	trans	-63.9	-34.9	177.1	-165.3	73.6	96.5	0	0	112.4	G24 H25 F26 E31 N32	G24-Q28 WeakPolarHBondContact O-CB 3.4Å; G24-Q28 PolarHBondContact O-N 3.02Å; G24-Q28 VanDerWaalsContact O-N 3.1Å; H25-Q28 PolarHBondContact O-N 3.48Å; F26-Q28 VanDerWaalsContact C-N 3.29Å; F26-Q28 PolarHBondContact O-N 2.93Å; Q28-E31 PolarHBondContact NE2-OE2 3.5Å; Q28-N32 WeakPolarHBondContact O-CB 3.43Å; Q28-N32 PolarHBondContact O-N 3.11Å; Q28-N32 VanDerWaalsContact O-N 3.1Å; Q28-N32 PolarHBondContact O-ND2 3.18Å; Q28-N32 VanDerWaalsContact O-ND2 3.14Å
29	N	50.1	Low	44.3	Very low	91 Å²	91	81.5 Å²	81.5	49%	0.487	40%	0.401	S	S	.	.	H	α-helix	trans	-66.7	-42.7	173.8	-84.3	-6.2	0	0	0	112.3	H25 F26 L27 N32 Q33	H25-N29 PolarHBondContact O-N 2.67Å; F26-N29 WeakPolarHBondContact O-CB 3.43Å; F26-N29 PolarHBondContact O-N 3.26Å; F26-N29 VanDerWaalsContact O-N 3.11Å; L27-N29 VanDerWaalsContact C-N 3.31Å; L27-N29 PolarHBondContact O-N 3.17Å; N29-N32 PolarHBondContact O-N 3.01Å; N29-Q33 WeakPolarHBondContact O-CG 3.24Å; N29-Q33 PolarHBondContact O-N 3.1Å
30	I	44.5	Very low	44.5	Very low	22 Å²	22	78.6 Å²	78.6	11%	0.113	40%	0.395	C	S	.	.	H	α-helix	trans	-60.4	-48.6	176.4	-66	173.4	0	0	0	110.2	F26 L27 N32 Q33 E34 L184	F26-I30 HydrophobicContact CD1-CD1 4.17Å; F26-I30 HydrophobicContact CE1-CD1 3.6Å; F26-I30 HydrophobicContact CZ-CD1 3.78Å; F26-I30 HydrophobicContact CZ-CG1 4.47Å; F26-I30 PolarHBondContact O-N 2.94Å; F26-I30 VanDerWaalsContact O-N 3.1Å; L27-I30 PolarHBondContact O-N 2.98Å; I30-N32 PolarHBondContact O-N 3.14Å; I30-Q33 PolarHBondContact O-N 3.41Å; I30-E34 WeakPolarHBondContact O-CB 3.32Å; I30-E34 PolarHBondContact O-N 3.43Å; I30-L184 HydrophobicContact CG2-CD2 4.06Å
31	E	52.4	Low	44.8	Very low	90 Å²	90	77.8 Å²	77.8	42%	0.421	39%	0.385	S	S	.	.	H	α-helix	trans	-57.4	-36.8	175.2	-85.1	-159.9	-171.1	0	0	113.3	L27 Q28 K35	L27-E31 PolarHBondContact O-N 3.35Å; Q28-E31 PolarHBondContact NE2-OE2 3.5Å; E31-K35 VanDerWaalsContact O-CD 3.24Å; E31-K35 WeakPolarHBondContact O-CD 3.5Å; E31-K35 WeakPolarHBondContact O-CE 3.5Å; E31-K35 WeakPolarHBondContact O-CG 3.47Å; E31-K35 PolarHBondContact O-N 3.26Å; E31-K35 VanDerWaalsContact O-N 3.11Å; E31-K35 IonicContact OE2-NZ 2.67Å; E31-K35 PolarHBondContact OE2-NZ 3.22Å
32	N	57.6	Low	45.2	Very low	73 Å²	73	74.1 Å²	74.1	39%	0.39	38%	0.377	S	S	.	.	H	α-helix	trans	-73.4	-38.3	179.9	-71.4	-21	0	0	0	111.5	Q28 N29 I30 K35 E36	Q28-N32 WeakPolarHBondContact O-CB 3.43Å; Q28-N32 PolarHBondContact O-N 3.11Å; Q28-N32 VanDerWaalsContact O-N 3.1Å; Q28-N32 PolarHBondContact O-ND2 3.18Å; Q28-N32 VanDerWaalsContact O-ND2 3.14Å; N29-N32 PolarHBondContact O-N 3.01Å; I30-N32 PolarHBondContact O-N 3.14Å; N32-K35 PolarHBondContact O-N 3.1Å; N32-E36 WeakPolarHBondContact O-CB 3.16Å; N32-E36 WeakPolarHBondContact O-CG 3.44Å; N32-E36 PolarHBondContact O-N 3.22Å
33	Q	46.1	Very low	45.4	Very low	51 Å²	51	73.2 Å²	73.2	24%	0.238	38%	0.375	C	S	.	.	H	α-helix	trans	-65.2	-41.5	173.2	-72.7	174	-18.3	0	0	111.7	N29 I30 K35 E36 M37	N29-Q33 WeakPolarHBondContact O-CG 3.24Å; N29-Q33 PolarHBondContact O-N 3.1Å; I30-Q33 PolarHBondContact O-N 3.41Å; Q33-K35 VanDerWaalsContact C-N 3.33Å; Q33-K35 PolarHBondContact O-N 2.86Å; Q33-E36 PolarHBondContact O-N 3.37Å; Q33-M37 VanDerWaalsContact O-CB 3.31Å; Q33-M37 WeakPolarHBondContact O-CB 3.44Å; Q33-M37 PolarHBondContact O-N 3.37Å
34	E	47.3	Very low	45.2	Very low	55 Å²	55	72.7 Å²	72.7	26%	0.257	37%	0.373	S	S	.	.	H	α-helix	trans	-56.7	-46.6	173.4	-169.5	-179.6	148	0	0	110.8	I30 I38 L184 K188	I30-E34 WeakPolarHBondContact O-CB 3.32Å; I30-E34 PolarHBondContact O-N 3.43Å; E34-I38 HydrophobicContact CG-CD1 4.18Å; E34-I38 WeakPolarHBondContact O-CB 3.29Å; E34-I38 WeakPolarHBondContact O-CD1 3.24Å; E34-I38 VanDerWaalsContact O-CG1 3.23Å; E34-I38 WeakPolarHBondContact O-CG1 3.5Å; E34-I38 PolarHBondContact O-N 3.06Å; E34-I38 VanDerWaalsContact O-N 3.07Å; E34-L184 HydrophobicContact CG-CD1 4.42Å; E34-K188 IonicContact OE1-NZ 2.61Å; E34-K188 IonicContact OE2-NZ 3.53Å; E34-K188 PolarHBondContact OE2-NZ 2.86Å
35	K	56.6	Low	45	Very low	111 Å²	111	74 Å²	74	48%	0.483	37%	0.372	S	S	.	.	H	α-helix	trans	-68.6	-43	177.9	-68.5	160.4	-160.5	163.1	0	113.2	E31 N32 Q33 A39	E31-K35 VanDerWaalsContact O-CD 3.24Å; E31-K35 WeakPolarHBondContact O-CD 3.5Å; E31-K35 WeakPolarHBondContact O-CE 3.5Å; E31-K35 WeakPolarHBondContact O-CG 3.47Å; E31-K35 PolarHBondContact O-N 3.26Å; E31-K35 VanDerWaalsContact O-N 3.11Å; E31-K35 IonicContact OE2-NZ 2.67Å; E31-K35 PolarHBondContact OE2-NZ 3.22Å; N32-K35 PolarHBondContact O-N 3.1Å; Q33-K35 VanDerWaalsContact C-N 3.33Å; Q33-K35 PolarHBondContact O-N 2.86Å; K35-A39 WeakPolarHBondContact O-CB 3.42Å; K35-A39 PolarHBondContact O-N 3.36Å
36	E	49.7	Very low	44.6	Very low	101 Å²	101	71.5 Å²	71.5	47%	0.472	37%	0.37	S	S	.	.	H	α-helix	trans	-59.9	-46.7	174.9	-79.9	-171.2	156.5	0	0	111.3	N32 Q33 A39 S40 R254	N32-E36 WeakPolarHBondContact O-CB 3.16Å; N32-E36 WeakPolarHBondContact O-CG 3.44Å; N32-E36 PolarHBondContact O-N 3.22Å; Q33-E36 PolarHBondContact O-N 3.37Å; E36-A39 WeakPolarHBondContact O-CB 3.31Å; E36-A39 PolarHBondContact O-N 2.87Å; E36-S40 PolarHBondContact O-N 2.94Å; E36-S40 PolarHBondContact O-OG 3.05Å; E36-R254 IonicContact OE2-CZ 2.64Å; E36-R254 IonicContact OE2-NH1 3.64Å; E36-R254 PolarHBondContact OE2-NH1 3.41Å; E36-R254 IonicContact OE2-NH2 2.7Å; E36-R254 PolarHBondContact OE2-NH2 3.25Å
37	M	39.5	Very low	44.6	Very low	71 Å²	71	70.9 Å²	70.9	35%	0.35	37%	0.37	S	S	.	.	H	α-helix	trans	-68	-40.5	-176.6	-166.1	179.2	71.7	0	0	112	Q33 A39 S40 F41 Y180	Q33-M37 VanDerWaalsContact O-CB 3.31Å; Q33-M37 WeakPolarHBondContact O-CB 3.44Å; Q33-M37 PolarHBondContact O-N 3.37Å; M37-A39 VanDerWaalsContact C-N 3.31Å; M37-A39 PolarHBondContact O-N 3.28Å; M37-S40 PolarHBondContact O-N 3.04Å; M37-F41 WeakPolarHBondContact O-CB 3.44Å; M37-F41 PolarHBondContact O-N 2.94Å; M37-Y180 HydrophobicContact CE-CD1 3.54Å; M37-Y180 HydrophobicContact CE-CE1 3.46Å; M37-Y180 VanDerWaalsContact CE-CE1 3.46Å; M37-Y180 HydrophobicContact CE-CG 4.39Å; M37-Y180 HydrophobicContact SD-CE1 4.33Å
38	I	45.7	Very low	44.4	Very low	56 Å²	56	69.9 Å²	69.9	29%	0.287	36%	0.364	S	S	.	.	H	α-helix	trans	-62	-40.2	172.5	-69.4	167.4	0	0	0	110.8	E34 N42	E34-I38 HydrophobicContact CG-CD1 4.18Å; E34-I38 WeakPolarHBondContact O-CB 3.29Å; E34-I38 WeakPolarHBondContact O-CD1 3.24Å; E34-I38 VanDerWaalsContact O-CG1 3.23Å; E34-I38 WeakPolarHBondContact O-CG1 3.5Å; E34-I38 PolarHBondContact O-N 3.06Å; E34-I38 VanDerWaalsContact O-N 3.07Å; I38-N42 WeakPolarHBondContact O-CB 3.23Å; I38-N42 PolarHBondContact O-N 3.04Å; I38-N42 PolarHBondContact O-ND2 3.33Å; I38-N42 PolarHBondContact O-OD1 3.24Å
39	A	49.3	Very low	43.4	Very low	57 Å²	57	69.9 Å²	69.9	47%	0.471	36%	0.364	S	S	.	.	H	α-helix	trans	-64.4	-48.4	177.5	0	0	0	0	0	112.1	K35 E36 M37 F41 N42 E43	K35-A39 WeakPolarHBondContact O-CB 3.42Å; K35-A39 PolarHBondContact O-N 3.36Å; E36-A39 WeakPolarHBondContact O-CB 3.31Å; E36-A39 PolarHBondContact O-N 2.87Å; M37-A39 VanDerWaalsContact C-N 3.31Å; M37-A39 PolarHBondContact O-N 3.28Å; A39-F41 VanDerWaalsContact C-N 3.35Å; A39-F41 PolarHBondContact O-N 3.3Å; A39-N42 PolarHBondContact O-N 2.94Å; A39-E43 WeakPolarHBondContact O-CB 3.44Å; A39-E43 PolarHBondContact O-N 2.7Å
40	S	37.9	Very low	42.6	Very low	63 Å²	63	69.2 Å²	69.2	44%	0.441	37%	0.371	S	S	.	.	H	α-helix	trans	-63.3	-37.4	177.2	-65.1	0	0	0	0	112.9	E36 M37 E43 F44	E36-S40 PolarHBondContact O-N 2.94Å; E36-S40 PolarHBondContact O-OG 3.05Å; M37-S40 PolarHBondContact O-N 3.04Å; S40-E43 PolarHBondContact O-N 3.07Å; S40-F44 PolarHBondContact O-N 3.45Å
41	F	35.9	Very low	42	Very low	43 Å²	43	73 Å²	73	19%	0.189	39%	0.386	C	S	.	.	H	α-helix	trans	-64	-46.5	175.4	-169.5	-85.2	0	0	0	111.7	M37 A39 E43 F44 D45 E173	M37-F41 WeakPolarHBondContact O-CB 3.44Å; M37-F41 PolarHBondContact O-N 2.94Å; A39-F41 VanDerWaalsContact C-N 3.35Å; A39-F41 PolarHBondContact O-N 3.3Å; F41-E43 VanDerWaalsContact C-N 3.28Å; F41-E43 PolarHBondContact O-N 3.37Å; F41-F44 WeakPolarHBondContact O-CB 3.47Å; F41-F44 PolarHBondContact O-N 2.79Å; F41-F44 VanDerWaalsContact O-N 3.08Å; F41-D45 HydrophobicContact CE1-CB 4.43Å; F41-D45 PolarHBondContact O-N 2.9Å; F41-E173 HydrophobicContact CE2-CB 4.09Å
42	N	41.9	Very low	41	Very low	82 Å²	82	73.2 Å²	73.2	44%	0.439	39%	0.386	S	S	.	.	H	α-helix	trans	-64.5	-32.8	177.8	-63.9	-11.3	0	0	0	112	I38 A39 F44 S46	I38-N42 WeakPolarHBondContact O-CB 3.23Å; I38-N42 PolarHBondContact O-N 3.04Å; I38-N42 PolarHBondContact O-ND2 3.33Å; I38-N42 PolarHBondContact O-OD1 3.24Å; A39-N42 PolarHBondContact O-N 2.94Å; N42-F44 VanDerWaalsContact C-N 3.35Å; N42-S46 WeakPolarHBondContact O-CB 3.48Å; N42-S46 PolarHBondContact O-N 2.87Å; N42-S46 PolarHBondContact O-OG 2.91Å
43	E	39.9	Very low	39.5	Very low	117 Å²	117	71.6 Å²	71.6	55%	0.547	39%	0.387	S	S	.	.	H	α-helix	trans	-70.4	-28.7	173.3	-173.3	171.8	-145.2	0	0	112.6	A39 S40 F41 S46 N47	A39-E43 WeakPolarHBondContact O-CB 3.44Å; A39-E43 PolarHBondContact O-N 2.7Å; S40-E43 PolarHBondContact O-N 3.07Å; F41-E43 VanDerWaalsContact C-N 3.28Å; F41-E43 PolarHBondContact O-N 3.37Å; E43-S46 PolarHBondContact O-OG 3.21Å; E43-N47 WeakPolarHBondContact O-CB 3.43Å; E43-N47 PolarHBondContact O-ND2 3.11Å
44	F	32.9	Very low	38.8	Very low	55 Å²	55	75.6 Å²	75.6	24%	0.241	41%	0.41	C	S	.	.	H	α-helix	trans	-75.1	-56.6	175.5	-165.5	-107.4	0	0	0	111.7	S40 F41 N42 S46 N47 E48	S40-F44 PolarHBondContact O-N 3.45Å; F41-F44 WeakPolarHBondContact O-CB 3.47Å; F41-F44 PolarHBondContact O-N 2.79Å; F41-F44 VanDerWaalsContact O-N 3.08Å; N42-F44 VanDerWaalsContact C-N 3.35Å; F44-S46 VanDerWaalsContact C-N 3.31Å; F44-S46 PolarHBondContact O-N 3.38Å; F44-N47 PolarHBondContact O-N 2.91Å; F44-E48 HydrophobicContact CD1-CG 4.09Å; F44-E48 HydrophobicContact CD2-CG 4Å; F44-E48 HydrophobicContact CE1-CG 3.91Å; F44-E48 HydrophobicContact CE2-CG 3.79Å; F44-E48 HydrophobicContact CG-CG 4.14Å; F44-E48 HydrophobicContact CZ-CG 3.74Å; F44-E48 WeakPolarHBondContact O-CG 3.4Å; F44-E48 PolarHBondContact O-N 3.47Å
45	D	35	Very low	38	Very low	61 Å²	61	76.8 Å²	76.8	33%	0.326	43%	0.425	S	S	.	.	H	α-helix	trans	-50.1	-48.6	178.2	-173.4	-5.9	0	0	0	111.5	F41 N47 H49	F41-D45 HydrophobicContact CE1-CB 4.43Å; F41-D45 PolarHBondContact O-N 2.9Å; D45-N47 VanDerWaalsContact C-N 3.28Å; D45-N47 PolarHBondContact O-N 3.31Å; D45-H49 IonicContact OD1-CD2 2.71Å
46	S	38.7	Very low	36.7	Very low	88 Å²	88	76.8 Å²	76.8	62%	0.615	43%	0.427	S	S	*	.	H	α-helix	trans	-70.1	-14.2	178.9	60.9	0	0	0	0	115.7	N42 E43 F44	N42-S46 WeakPolarHBondContact O-CB 3.48Å; N42-S46 PolarHBondContact O-N 2.87Å; N42-S46 PolarHBondContact O-OG 2.91Å; E43-S46 PolarHBondContact O-OG 3.21Å; F44-S46 VanDerWaalsContact C-N 3.31Å; F44-S46 PolarHBondContact O-N 3.38Å
47	N	38.9	Very low	35.7	Very low	54 Å²	54	78.4 Å²	78.4	29%	0.289	43%	0.43	S	S	.	.	H	α-helix	trans	-104.2	-36.6	-177.9	-92.8	-76.9	0	0	0	114.4	E43 F44 D45 K51	E43-N47 WeakPolarHBondContact O-CB 3.43Å; E43-N47 PolarHBondContact O-ND2 3.11Å; F44-N47 PolarHBondContact O-N 2.91Å; D45-N47 VanDerWaalsContact C-N 3.28Å; D45-N47 PolarHBondContact O-N 3.31Å; N47-K51 VanDerWaalsContact O-CD 3.28Å; N47-K51 WeakPolarHBondContact O-CD 3.31Å; N47-K51 WeakPolarHBondContact O-CG 3.48Å; N47-K51 PolarHBondContact OD1-NZ 3.03Å
48	E	38.8	Very low	35.3	Very low	30 Å²	30	79.1 Å²	79.1	14%	0.14	44%	0.442	C	S	.	.	H	α-helix	trans	-77.7	-45.4	-169.6	-64	-62.8	72.6	0	0	112.5	F44 A50 K51 F52 K264	F44-E48 HydrophobicContact CD1-CG 4.09Å; F44-E48 HydrophobicContact CD2-CG 4Å; F44-E48 HydrophobicContact CE1-CG 3.91Å; F44-E48 HydrophobicContact CE2-CG 3.79Å; F44-E48 HydrophobicContact CG-CG 4.14Å; F44-E48 HydrophobicContact CZ-CG 3.74Å; F44-E48 WeakPolarHBondContact O-CG 3.4Å; F44-E48 PolarHBondContact O-N 3.47Å; E48-A50 PolarHBondContact O-N 3.39Å; E48-A50 VanDerWaalsContact O-N 3.13Å; E48-K51 PolarHBondContact O-N 2.87Å; E48-F52 HydrophobicContact CB-CD2 4.23Å; E48-F52 PolarHBondContact O-N 2.86Å; E48-K264 VanDerWaalsContact CD-NZ 3.28Å; E48-K264 IonicContact OE1-NZ 2.64Å; E48-K264 PolarHBondContact OE1-NZ 3.47Å; E48-K264 IonicContact OE2-NZ 3.83Å; E48-K264 PolarHBondContact OE2-NZ 3.15Å
49	H	33.6	Very low	34.4	Very low	97 Å²	97	80.5 Å²	80.5	45%	0.449	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.3	-173.2	-85	-51.5	0	0	0	114.7	D45 S166 M170	D45-H49 IonicContact OD1-CD2 2.71Å; H49-S166 PolarHBondContact CE1-OG 3.21Å; H49-M170 VanDerWaalsContact NE2-CE 3.33Å; H49-M170 WeakPolarHBondContact NE2-CE 3.49Å
50	A	31.7	Very low	33.4	Very low	77 Å²	77	85.9 Å²	85.9	64%	0.636	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-10.9	177.2	0	0	0	0	0	114	E48	E48-A50 PolarHBondContact O-N 3.39Å; E48-A50 VanDerWaalsContact O-N 3.13Å
51	K	33.1	Very low	33.1	Very low	100 Å²	100	87.6 Å²	87.6	44%	0.435	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-35.6	-172.3	-68.6	176	-172.5	162.7	0	113.1	N47 E48 G53 N54	N47-K51 VanDerWaalsContact O-CD 3.28Å; N47-K51 WeakPolarHBondContact O-CD 3.31Å; N47-K51 WeakPolarHBondContact O-CG 3.48Å; N47-K51 PolarHBondContact OD1-NZ 3.03Å; E48-K51 PolarHBondContact O-N 2.87Å; K51-G53 VanDerWaalsContact C-N 3.34Å; K51-G53 PolarHBondContact O-N 2.91Å; K51-N54 PolarHBondContact O-N 2.75Å; K51-N54 VanDerWaalsContact O-N 3.13Å
52	F	29.8	Very low	32.8	Very low	95 Å²	95	89.5 Å²	89.5	42%	0.417	50%	0.504	S	S	.	.	H	α-helix	trans	-56.7	-40.1	-174.5	-111.9	-91.5	0	0	0	114.4	E48 N54	E48-F52 HydrophobicContact CB-CD2 4.23Å; E48-F52 PolarHBondContact O-N 2.86Å; F52-N54 PolarHBondContact O-N 3.02Å
53	G	27.7	Very low	32.4	Very low	39 Å²	39	89.2 Å²	89.2	40%	0.402	51%	0.508	S	S	.	.	H	α-helix	trans	-68.2	-15	-179.6	0	0	0	0	0	115.5	K51 Y57	K51-G53 VanDerWaalsContact C-N 3.34Å; K51-G53 PolarHBondContact O-N 2.91Å; G53-Y57 WeakPolarHBondContact O-CE2 3.45Å
54	N	30.3	Very low	31.9	Very low	135 Å²	135	87.4 Å²	87.4	72%	0.722	51%	0.505	S	S	*	.	H	α-helix	trans	-103.4	-14.4	-170.7	-78.1	-65.3	0	0	0	115	K51 F52	K51-N54 PolarHBondContact O-N 2.75Å; K51-N54 VanDerWaalsContact O-N 3.13Å; F52-N54 PolarHBondContact O-N 3.02Å
55	S	30.1	Very low	31.9	Very low	81 Å²	81	89.1 Å²	89.1	57%	0.566	51%	0.514	S	S	*	.	H	α-helix	trans	-105.1	-17.1	-168	59.1	0	0	0	0	116.2	Y57	S55-Y57 VanDerWaalsContact C-N 3.33Å; S55-Y57 PolarHBondContact O-N 3.24Å
56	M	29.4	Very low	31.8	Very low	110 Å²	110	92.6 Å²	92.6	54%	0.542	53%	0.526	S	S	.	.			trans	-78.7	-8.3	-177.7	-83.5	-172.3	159.2	0	0	115.1	S58	M56-S58 PolarHBondContact O-N 3.39Å
57	Y	29.8	Very low	31.5	Very low	135 Å²	135	93.6 Å²	93.6	53%	0.529	52%	0.524	S	S	.	.			trans	-72.5	24.7	-179.4	-69.7	-69.3	0	0	0	115.8	G53 S55 Q155	G53-Y57 WeakPolarHBondContact O-CE2 3.45Å; S55-Y57 VanDerWaalsContact C-N 3.33Å; S55-Y57 PolarHBondContact O-N 3.24Å; Y57-Q155 HydrophobicContact CE1-CG 3.79Å; Y57-Q155 VanDerWaalsContact CZ-NE2 3.3Å; Y57-Q155 WeakPolarHBondContact OH-CG 3.2Å; Y57-Q155 PolarHBondContact OH-NE2 3.24Å
58	S	30.3	Very low	31.6	Very low	87 Å²	87	95.9 Å²	95.9	61%	0.608	53%	0.53	S	S	*	.			trans	-126.8	87.9	167.6	67.3	0	0	0	0	110.8	M56 K60	M56-S58 PolarHBondContact O-N 3.39Å; S58-K60 VanDerWaalsContact C-N 3.26Å; S58-K60 PolarHBondContact O-N 2.98Å
59	G	28.4	Very low	31.9	Very low	84 Å²	84	95.8 Å²	95.8	87%	0.866	53%	0.53	S	S	*	.			trans	-68.6	70	-176.9	0	0	0	0	0	114.3
60	K	28.2	Very low	32.3	Very low	171 Å²	171	93 Å²	93	74%	0.743	53%	0.528	S	S	*	.			trans	-144.7	9.5	-177.6	-74	-160.7	172.4	-175.3	0	115.9	S58	S58-K60 VanDerWaalsContact C-N 3.26Å; S58-K60 PolarHBondContact O-N 2.98Å
61	N	30.9	Very low	33	Very low	99 Å²	99	92.9 Å²	92.9	53%	0.529	51%	0.514	S	S	.	.			trans	-135.1	84	-173.7	-130.8	18	0	0	0	113.4	S63 T64	N61-S63 PolarHBondContact O-N 3.23Å; N61-S63 PolarHBondContact OD1-OG 2.83Å; N61-T64 PolarHBondContact O-OG1 2.91Å
62	P	29.7	Very low	33.7	Very low	82 Å²	82	89.2 Å²	89.2	53%	0.532	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-65.3	-18.7	173.7	-20	32.9	0	0	0	113.6	T64 E65 F66	P62-T64 PolarHBondContact O-N 2.68Å; P62-T64 VanDerWaalsContact O-N 3.16Å; P62-E65 PolarHBondContact O-N 3.41Å; P62-F66 VanDerWaalsContact O-CD2 3.25Å; P62-F66 WeakPolarHBondContact O-CD2 3.47Å; P62-F66 WeakPolarHBondContact O-CE2 3.38Å
63	S	32.4	Very low	34.5	Very low	76 Å²	76	87.5 Å²	87.5	53%	0.531	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-66.5	-13.5	-173.8	44.8	0	0	0	0	115.1	N61	N61-S63 PolarHBondContact O-N 3.23Å; N61-S63 PolarHBondContact OD1-OG 2.83Å
64	T	30.6	Very low	35.5	Very low	80 Å²	80	91.4 Å²	91.4	49%	0.491	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-91.3	-14.8	178.6	33.6	0	0	0	0	114.7	N61 P62	N61-T64 PolarHBondContact O-OG1 2.91Å; P62-T64 PolarHBondContact O-N 2.68Å; P62-T64 VanDerWaalsContact O-N 3.16Å
65	E	32.3	Very low	36.1	Very low	91 Å²	91	86.1 Å²	86.1	43%	0.425	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-74.3	-32.3	178.5	-65.2	175.9	106.8	0	0	112.1	P62 L67 Y68	P62-E65 PolarHBondContact O-N 3.41Å; E65-L67 VanDerWaalsContact C-N 3.26Å; E65-L67 PolarHBondContact O-N 3.46Å; E65-L67 VanDerWaalsContact O-N 3.14Å; E65-Y68 PolarHBondContact O-N 2.8Å
66	F	32.8	Very low	37	Very low	133 Å²	133	83 Å²	83	58%	0.583	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-66.1	-17.7	-171.1	-71.8	-86.3	0	0	0	115.9	P62	P62-F66 VanDerWaalsContact O-CD2 3.25Å; P62-F66 WeakPolarHBondContact O-CD2 3.47Å; P62-F66 WeakPolarHBondContact O-CE2 3.38Å
67	L	32.2	Very low	37.9	Very low	109 Å²	109	85 Å²	85	57%	0.571	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-84.3	-14.8	178.6	-103.7	153	0	0	0	113.6	E65 I263	E65-L67 VanDerWaalsContact C-N 3.26Å; E65-L67 PolarHBondContact O-N 3.46Å; E65-L67 VanDerWaalsContact O-N 3.14Å; L67-I263 HydrophobicContact CD1-CD1 4.19Å
68	Y	41.6	Very low	38.7	Very low	103 Å²	103	86.8 Å²	86.8	40%	0.404	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-8.3	-174.1	-81.9	-82.5	0	0	0	114.8	E65 G70 E71 L72	E65-Y68 PolarHBondContact O-N 2.8Å; Y68-G70 VanDerWaalsContact C-N 3.32Å; Y68-G70 PolarHBondContact O-N 3.28Å; Y68-G70 VanDerWaalsContact O-N 3.17Å; Y68-E71 PolarHBondContact O-N 3.11Å; Y68-L72 WeakPolarHBondContact O-CB 3.42Å; Y68-L72 PolarHBondContact O-N 3.42Å
69	L	45.4	Very low	39.4	Very low	28 Å²	28	85.7 Å²	85.7	15%	0.147	47%	0.466	C	S	.	.	H	α-helix	trans	-55.4	-40.8	-169.2	-176.6	59.9	0	0	0	114	E71 L72 L73 Y83	L69-E71 VanDerWaalsContact C-N 3.29Å; L69-E71 PolarHBondContact O-N 3.4Å; L69-L72 HydrophobicContact CD1-CD2 4.39Å; L69-L72 PolarHBondContact O-N 3.46Å; L69-L73 HydrophobicContact CD1-CD1 4.34Å; L69-L73 HydrophobicContact CD1-CG 4.2Å; L69-L73 HydrophobicContact CG-CD1 4.22Å; L69-L73 VanDerWaalsContact O-CG 3.32Å; L69-L73 WeakPolarHBondContact O-CG 3.38Å; L69-L73 PolarHBondContact O-N 2.86Å; L69-Y83 HydrophobicContact CD1-CD2 4.5Å; L69-Y83 HydrophobicContact CD1-CE2 3.62Å
70	G	42.2	Very low	40	Very low	39 Å²	39	85.1 Å²	85.1	40%	0.402	46%	0.461	S	S	.	.	H	α-helix	trans	-68.6	-22.5	179	0	0	0	0	0	114.9	Y68 K74	Y68-G70 VanDerWaalsContact C-N 3.32Å; Y68-G70 PolarHBondContact O-N 3.28Å; Y68-G70 VanDerWaalsContact O-N 3.17Å; G70-K74 WeakPolarHBondContact O-CG 3.39Å
71	E	46.2	Very low	40.9	Very low	74 Å²	74	81.5 Å²	81.5	35%	0.346	45%	0.449	S	S	.	.	H	α-helix	trans	-92.6	-34.8	172.6	-60.4	-156	147	0	0	111.6	Y68 L69 L73 K74 A75 Y172	Y68-E71 PolarHBondContact O-N 3.11Å; L69-E71 VanDerWaalsContact C-N 3.29Å; L69-E71 PolarHBondContact O-N 3.4Å; E71-L73 VanDerWaalsContact C-N 3.34Å; E71-L73 PolarHBondContact O-N 3.01Å; E71-K74 PolarHBondContact O-N 3.13Å; E71-A75 WeakPolarHBondContact O-CB 3.37Å; E71-A75 PolarHBondContact O-N 3.23Å; E71-Y172 VanDerWaalsContact OE1-CE1 3.28Å; E71-Y172 WeakPolarHBondContact OE1-CE1 3.07Å
72	L	46.9	Very low	41.9	Very low	22 Å²	22	82.7 Å²	82.7	12%	0.115	45%	0.45	C	S	.	.	H	α-helix	trans	-57.1	-46.1	171.7	177.4	62.8	0	0	0	111.3	Y68 L69 K74 A75 L76 Y83 Y86 L165	Y68-L72 WeakPolarHBondContact O-CB 3.42Å; Y68-L72 PolarHBondContact O-N 3.42Å; L69-L72 HydrophobicContact CD1-CD2 4.39Å; L69-L72 PolarHBondContact O-N 3.46Å; L72-K74 PolarHBondContact O-N 2.85Å; L72-A75 PolarHBondContact O-N 3.16Å; L72-L76 HydrophobicContact CD1-CD1 4Å; L72-L76 HydrophobicContact CD1-CG 4.1Å; L72-L76 HydrophobicContact CG-CD1 3.87Å; L72-L76 HydrophobicContact CG-CG 4.4Å; L72-L76 WeakPolarHBondContact O-CB 3.48Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.25Å; L72-L76 PolarHBondContact O-N 2.93Å; L72-Y83 HydrophobicContact CD2-CE2 4.25Å; L72-Y86 HydrophobicContact CD1-CE2 4.2Å; L72-Y86 HydrophobicContact CD2-CD1 4.31Å; L72-Y86 HydrophobicContact CD2-CE1 3.77Å; L72-Y86 HydrophobicContact CD2-CE2 4.39Å; L72-L165 HydrophobicContact CD1-CD1 4.35Å; L72-L165 HydrophobicContact CD1-CD2 4.4Å
73	L	48	Very low	42.9	Very low	60 Å²	60	83 Å²	83	31%	0.314	44%	0.44	S	S	.	.	H	α-helix	trans	-60.1	-45.8	176.3	-71.6	169.8	0	0	0	111.8	L69 E71 A75 L76 E77 Y83	L69-L73 HydrophobicContact CD1-CD1 4.34Å; L69-L73 HydrophobicContact CD1-CG 4.2Å; L69-L73 HydrophobicContact CG-CD1 4.22Å; L69-L73 VanDerWaalsContact O-CG 3.32Å; L69-L73 WeakPolarHBondContact O-CG 3.38Å; L69-L73 PolarHBondContact O-N 2.86Å; E71-L73 VanDerWaalsContact C-N 3.34Å; E71-L73 PolarHBondContact O-N 3.01Å; L73-A75 VanDerWaalsContact C-N 3.31Å; L73-A75 PolarHBondContact O-N 3.5Å; L73-L76 PolarHBondContact O-N 3.27Å; L73-E77 WeakPolarHBondContact O-CB 3.49Å; L73-E77 PolarHBondContact O-N 2.87Å; L73-Y83 HydrophobicContact CD2-CD1 4.33Å; L73-Y83 HydrophobicContact CD2-CD2 3.83Å; L73-Y83 HydrophobicContact CD2-CG 3.73Å
74	K	47.6	Very low	43.9	Very low	120 Å²	120	85.1 Å²	85.1	52%	0.522	44%	0.442	S	S	.	.	H	α-helix	trans	-65.4	-30.8	175.7	-70	176.1	179.1	178.5	0	113.3	G70 E71 L72 K78	G70-K74 WeakPolarHBondContact O-CG 3.39Å; E71-K74 PolarHBondContact O-N 3.13Å; L72-K74 PolarHBondContact O-N 2.85Å; K74-K78 WeakPolarHBondContact O-CB 3.14Å; K74-K78 WeakPolarHBondContact O-CG 3.27Å; K74-K78 PolarHBondContact O-N 3.12Å; K74-K78 VanDerWaalsContact O-N 3.15Å
75	A	44.1	Very low	45	Very low	25 Å²	25	84.7 Å²	84.7	21%	0.207	44%	0.437	C	S	.	.	H	α-helix	trans	-75.6	-40.3	176.5	0	0	0	0	0	111.8	E71 L72 L73 A79 L165	E71-A75 WeakPolarHBondContact O-CB 3.37Å; E71-A75 PolarHBondContact O-N 3.23Å; L72-A75 PolarHBondContact O-N 3.16Å; L73-A75 VanDerWaalsContact C-N 3.31Å; L73-A75 PolarHBondContact O-N 3.5Å; A75-A79 VanDerWaalsContact O-CB 3.24Å; A75-A79 WeakPolarHBondContact O-CB 3.45Å; A75-A79 PolarHBondContact O-N 3.33Å; A75-L165 HydrophobicContact CB-CD1 3.84Å
76	L	47.9	Very low	45.9	Very low	15 Å²	15	82.9 Å²	82.9	8%	0.079	43%	0.427	C	S	.	.	H	α-helix	trans	-64.9	-46.7	174.4	-71.9	168	0	0	0	111.1	L72 L73 K78 A79 G80 L81 Y83 Y86	L72-L76 HydrophobicContact CD1-CD1 4Å; L72-L76 HydrophobicContact CD1-CG 4.1Å; L72-L76 HydrophobicContact CG-CD1 3.87Å; L72-L76 HydrophobicContact CG-CG 4.4Å; L72-L76 WeakPolarHBondContact O-CB 3.48Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.25Å; L72-L76 PolarHBondContact O-N 2.93Å; L73-L76 PolarHBondContact O-N 3.27Å; L76-K78 PolarHBondContact O-N 2.89Å; L76-A79 CarbonylContact O-C 3.26Å; L76-A79 WeakPolarHBondContact O-CA 3.36Å; L76-A79 PolarHBondContact O-N 3.05Å; L76-G80 PolarHBondContact O-N 3.33Å; L76-L81 CarbonylContact C-O 3.14Å; L76-L81 HydrophobicContact CB-CB 4.47Å; L76-L81 HydrophobicContact CD2-CB 3.76Å; L76-L81 HydrophobicContact CD2-CD1 4.09Å; L76-L81 PolarHBondContact O-N 3.46Å; L76-Y83 HydrophobicContact CD1-CD2 3.85Å; L76-Y86 HydrophobicContact CD1-CG 4.26Å; L76-Y86 HydrophobicContact CD2-CD2 4.45Å
77	E	48.5	Very low	46.6	Very low	153 Å²	153	79.6 Å²	79.6	72%	0.715	42%	0.415	S	S	*	.	H	α-helix	trans	-55.5	-49.5	173.9	-176.8	-177.8	-154.7	0	0	111.5	L73 A79 G80	L73-E77 WeakPolarHBondContact O-CB 3.49Å; L73-E77 PolarHBondContact O-N 2.87Å; E77-A79 PolarHBondContact O-N 3.42Å; E77-G80 PolarHBondContact O-N 3.08Å; E77-G80 VanDerWaalsContact O-N 3.16Å
78	K	47.3	Very low	47.4	Very low	171 Å²	171	79 Å²	79	74%	0.743	41%	0.412	S	S	*	.	H	α-helix	trans	-66.2	-21.3	174.9	-78.3	-178.2	175.9	-179.5	0	114.6	K74 L76	K74-K78 WeakPolarHBondContact O-CB 3.14Å; K74-K78 WeakPolarHBondContact O-CG 3.27Å; K74-K78 PolarHBondContact O-N 3.12Å; K74-K78 VanDerWaalsContact O-N 3.15Å; L76-K78 PolarHBondContact O-N 2.89Å
79	A	43.4	Very low	47.6	Very low	64 Å²	64	77.9 Å²	77.9	53%	0.529	42%	0.416	S	S	.	.	H	α-helix	trans	-90.1	-6.3	175.8	0	0	0	0	0	113.3	A75 L76 E77 L81	A75-A79 VanDerWaalsContact O-CB 3.24Å; A75-A79 WeakPolarHBondContact O-CB 3.45Å; A75-A79 PolarHBondContact O-N 3.33Å; L76-A79 CarbonylContact O-C 3.26Å; L76-A79 WeakPolarHBondContact O-CA 3.36Å; L76-A79 PolarHBondContact O-N 3.05Å; E77-A79 PolarHBondContact O-N 3.42Å; A79-L81 VanDerWaalsContact C-N 3.29Å; A79-L81 HydrophobicContact CB-CD1 4.01Å; A79-L81 HydrophobicContact CB-CG 4.07Å
80	G	42.8	Very low	47.5	Very low	72 Å²	72	78.9 Å²	78.9	74%	0.742	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	20.8	-173.9	0	0	0	0	0	114.1	L76 E77	L76-G80 PolarHBondContact O-N 3.33Å; E77-G80 PolarHBondContact O-N 3.08Å; E77-G80 VanDerWaalsContact O-N 3.16Å
81	L	45.2	Very low	47.6	Very low	96 Å²	96	80.4 Å²	80.4	50%	0.503	42%	0.419	S	S	.	.			trans	-104.5	142.9	-178.2	-64.4	174.7	0	0	0	110.4	L76 A79	L76-L81 CarbonylContact C-O 3.14Å; L76-L81 HydrophobicContact CB-CB 4.47Å; L76-L81 HydrophobicContact CD2-CB 3.76Å; L76-L81 HydrophobicContact CD2-CD1 4.09Å; L76-L81 PolarHBondContact O-N 3.46Å; A79-L81 VanDerWaalsContact C-N 3.29Å; A79-L81 HydrophobicContact CB-CD1 4.01Å; A79-L81 HydrophobicContact CB-CG 4.07Å
82	K	52.2	Low	47.4	Very low	124 Å²	124	82.5 Å²	82.5	54%	0.539	43%	0.433	S	S	.	.			trans	-82.4	152.6	171.4	-55.1	176.8	177.8	-177.9	0	111.1	E84 D85 Y86	K82-E84 HydrophobicContact CB-CB 4.38Å; K82-E84 PolarHBondContact O-N 2.99Å; K82-D85 HydrophobicContact CB-CB 4.41Å; K82-D85 WeakPolarHBondContact CB-OD2 3.44Å; K82-D85 WeakPolarHBondContact CG-OD2 3.42Å; K82-D85 PolarHBondContact N-OD2 3.37Å; K82-D85 VanDerWaalsContact N-OD2 3.13Å; K82-D85 PolarHBondContact O-N 2.96Å; K82-Y86 PolarHBondContact O-N 2.94Å; K82-Y86 VanDerWaalsContact O-N 3.15Å
83	Y	51.5	Low	46.9	Very low	87 Å²	87	85 Å²	85	34%	0.341	45%	0.446	S	S	.	.	H	α-helix	trans	-63.7	-29.4	167.9	-174.5	-118.7	0	0	0	112.4	L69 L72 L73 L76 Y86 L87	L69-Y83 HydrophobicContact CD1-CD2 4.5Å; L69-Y83 HydrophobicContact CD1-CE2 3.62Å; L72-Y83 HydrophobicContact CD2-CE2 4.25Å; L73-Y83 HydrophobicContact CD2-CD1 4.33Å; L73-Y83 HydrophobicContact CD2-CD2 3.83Å; L73-Y83 HydrophobicContact CD2-CG 3.73Å; L76-Y83 HydrophobicContact CD1-CD2 3.85Å; Y83-Y86 HydrophobicContact CD2-CD1 4.1Å; Y83-Y86 AromaticContact CE2-CD1 3.97Å; Y83-Y86 HydrophobicContact CE2-CD1 3.97Å; Y83-Y86 HydrophobicContact CE2-CE1 4.34Å; Y83-Y86 PolarHBondContact O-N 2.71Å; Y83-L87 HydrophobicContact CD1-CD1 3.91Å; Y83-L87 HydrophobicContact CD1-CG 4.31Å; Y83-L87 HydrophobicContact CE1-CD1 3.52Å; Y83-L87 HydrophobicContact CE1-CD2 4.42Å; Y83-L87 HydrophobicContact CE1-CG 3.97Å; Y83-L87 HydrophobicContact CE2-CD2 4.46Å; Y83-L87 HydrophobicContact CE2-CG 4.32Å; Y83-L87 WeakPolarHBondContact O-CB 3.27Å; Y83-L87 WeakPolarHBondContact O-CG 3.38Å; Y83-L87 PolarHBondContact O-N 3.45Å
84	E	53	Low	46.3	Very low	122 Å²	122	87.7 Å²	87.7	57%	0.57	46%	0.455	S	S	*	.	H	α-helix	trans	-66.6	-41.9	173.3	-61.5	167.7	127	0	0	111.8	K82 Y86 L87 N88	K82-E84 HydrophobicContact CB-CB 4.38Å; K82-E84 PolarHBondContact O-N 2.99Å; E84-Y86 VanDerWaalsContact C-N 3.32Å; E84-Y86 PolarHBondContact O-N 3.32Å; E84-L87 PolarHBondContact O-N 3.45Å; E84-N88 WeakPolarHBondContact O-CB 3.35Å; E84-N88 PolarHBondContact O-N 3.02Å; E84-N88 PolarHBondContact O-ND2 2.97Å
85	D	53.2	Low	45.7	Very low	71 Å²	71	86.4 Å²	86.4	38%	0.38	45%	0.454	S	S	.	.	H	α-helix	trans	-64.7	-39.2	176.4	-52.1	-37	0	0	0	110.8	K82 T89	K82-D85 HydrophobicContact CB-CB 4.41Å; K82-D85 WeakPolarHBondContact CB-OD2 3.44Å; K82-D85 WeakPolarHBondContact CG-OD2 3.42Å; K82-D85 PolarHBondContact N-OD2 3.37Å; K82-D85 VanDerWaalsContact N-OD2 3.13Å; K82-D85 PolarHBondContact O-N 2.96Å; D85-T89 WeakPolarHBondContact O-CB 3.45Å; D85-T89 PolarHBondContact O-N 3.46Å; D85-T89 PolarHBondContact O-OG1 3.41Å
86	Y	51.8	Low	45.2	Very low	53 Å²	53	92.7 Å²	92.7	21%	0.208	48%	0.484	C	S	.	.	H	α-helix	trans	-62.3	-47.6	171.7	172.8	-91.5	0	0	0	111.9	L72 L76 K82 Y83 E84 T89 M90	L72-Y86 HydrophobicContact CD1-CE2 4.2Å; L72-Y86 HydrophobicContact CD2-CD1 4.31Å; L72-Y86 HydrophobicContact CD2-CE1 3.77Å; L72-Y86 HydrophobicContact CD2-CE2 4.39Å; L76-Y86 HydrophobicContact CD1-CG 4.26Å; L76-Y86 HydrophobicContact CD2-CD2 4.45Å; K82-Y86 PolarHBondContact O-N 2.94Å; K82-Y86 VanDerWaalsContact O-N 3.15Å; Y83-Y86 HydrophobicContact CD2-CD1 4.1Å; Y83-Y86 AromaticContact CE2-CD1 3.97Å; Y83-Y86 HydrophobicContact CE2-CD1 3.97Å; Y83-Y86 HydrophobicContact CE2-CE1 4.34Å; Y83-Y86 PolarHBondContact O-N 2.71Å; E84-Y86 VanDerWaalsContact C-N 3.32Å; E84-Y86 PolarHBondContact O-N 3.32Å; Y86-T89 PolarHBondContact O-N 2.69Å; Y86-M90 HydrophobicContact CD1-CG 4.29Å; Y86-M90 HydrophobicContact CD2-CG 4.44Å; Y86-M90 HydrophobicContact CE1-CG 3.89Å; Y86-M90 HydrophobicContact CE2-CG 4.08Å; Y86-M90 WeakPolarHBondContact O-CB 3.32Å; Y86-M90 WeakPolarHBondContact O-CG 3.33Å; Y86-M90 PolarHBondContact O-N 2.64Å
87	L	48	Very low	44.4	Very low	63 Å²	63	98.4 Å²	98.4	33%	0.33	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-44.7	178.7	-77.6	179.7	0	0	0	112.3	Y83 E84 T89 M90 D91	Y83-L87 HydrophobicContact CD1-CD1 3.91Å; Y83-L87 HydrophobicContact CD1-CG 4.31Å; Y83-L87 HydrophobicContact CE1-CD1 3.52Å; Y83-L87 HydrophobicContact CE1-CD2 4.42Å; Y83-L87 HydrophobicContact CE1-CG 3.97Å; Y83-L87 HydrophobicContact CE2-CD2 4.46Å; Y83-L87 HydrophobicContact CE2-CG 4.32Å; Y83-L87 WeakPolarHBondContact O-CB 3.27Å; Y83-L87 WeakPolarHBondContact O-CG 3.38Å; Y83-L87 PolarHBondContact O-N 3.45Å; E84-L87 PolarHBondContact O-N 3.45Å; L87-T89 PolarHBondContact O-N 3.42Å; L87-M90 CarbonylContact O-C 3.47Å; L87-M90 PolarHBondContact O-N 2.77Å; L87-M90 VanDerWaalsContact O-N 3.11Å; L87-D91 PolarHBondContact O-N 3.25Å
88	N	49.6	Very low	43.6	Very low	96 Å²	96	99.5 Å²	99.5	51%	0.513	52%	0.52	S	S	.	.	H	α-helix	trans	-58.6	-48.9	175.5	-68.8	-24.6	0	0	0	110.2	E84 M90 D91 D92	E84-N88 WeakPolarHBondContact O-CB 3.35Å; E84-N88 PolarHBondContact O-N 3.02Å; E84-N88 PolarHBondContact O-ND2 2.97Å; N88-M90 VanDerWaalsContact C-N 3.26Å; N88-M90 PolarHBondContact O-N 3.28Å; N88-D91 PolarHBondContact O-N 2.81Å; N88-D91 VanDerWaalsContact O-N 3.14Å; N88-D92 WeakPolarHBondContact O-CB 3.49Å; N88-D92 VanDerWaalsContact O-CG 3.3Å; N88-D92 PolarHBondContact O-N 3.37Å
89	T	45.8	Very low	42.7	Very low	80 Å²	80	97.2 Å²	97.2	49%	0.491	52%	0.523	S	S	.	.	H	α-helix	trans	-56.9	-40.1	174.6	-54.7	0	0	0	0	111.9	D85 Y86 L87 L93	D85-T89 WeakPolarHBondContact O-CB 3.45Å; D85-T89 PolarHBondContact O-N 3.46Å; D85-T89 PolarHBondContact O-OG1 3.41Å; Y86-T89 PolarHBondContact O-N 2.69Å; L87-T89 PolarHBondContact O-N 3.42Å; T89-L93 HydrophobicContact CG2-CD1 4.15Å; T89-L93 WeakPolarHBondContact O-CB 3.25Å; T89-L93 WeakPolarHBondContact O-CD1 3.46Å; T89-L93 WeakPolarHBondContact O-CG 3.43Å; T89-L93 PolarHBondContact O-N 2.7Å
90	M	42.9	Very low	42.2	Very low	50 Å²	50	103.2 Å²	103.2	25%	0.246	54%	0.54	C	S	.	.	H	α-helix	trans	-75.2	-25.1	179.7	-72.6	-70.5	-75	0	0	113.9	Y86 L87 N88 L93 K94	Y86-M90 HydrophobicContact CD1-CG 4.29Å; Y86-M90 HydrophobicContact CD2-CG 4.44Å; Y86-M90 HydrophobicContact CE1-CG 3.89Å; Y86-M90 HydrophobicContact CE2-CG 4.08Å; Y86-M90 WeakPolarHBondContact O-CB 3.32Å; Y86-M90 WeakPolarHBondContact O-CG 3.33Å; Y86-M90 PolarHBondContact O-N 2.64Å; L87-M90 CarbonylContact O-C 3.47Å; L87-M90 PolarHBondContact O-N 2.77Å; L87-M90 VanDerWaalsContact O-N 3.11Å; N88-M90 VanDerWaalsContact C-N 3.26Å; N88-M90 PolarHBondContact O-N 3.28Å; M90-L93 HydrophobicContact SD-CD1 4.5Å; M90-K94 WeakPolarHBondContact O-CE 3.47Å; M90-K94 VanDerWaalsContact O-CG 3.3Å; M90-K94 WeakPolarHBondContact O-CG 3.46Å; M90-K94 PolarHBondContact O-N 2.97Å
91	D	43.1	Very low	41.6	Very low	70 Å²	70	109.2 Å²	109.2	37%	0.374	55%	0.549	S	S	.	.	H	α-helix	trans	-86.2	-35.4	174.5	-81.2	-3.9	0	0	0	111.7	L87 N88 L93 K94 N95	L87-D91 PolarHBondContact O-N 3.25Å; N88-D91 PolarHBondContact O-N 2.81Å; N88-D91 VanDerWaalsContact O-N 3.14Å; D91-L93 PolarHBondContact O-N 3.02Å; D91-K94 PolarHBondContact O-N 2.87Å; D91-K94 WeakPolarHBondContact OD1-CD 3.38Å; D91-K94 WeakPolarHBondContact OD1-CE 3.29Å; D91-K94 IonicContact OD1-NZ 3.73Å; D91-K94 PolarHBondContact OD1-NZ 3.11Å; D91-N95 WeakPolarHBondContact O-CB 3.42Å; D91-N95 PolarHBondContact O-N 2.9Å; D91-N95 PolarHBondContact O-ND2 3.28Å
92	D	43.1	Very low	40.8	Very low	119 Å²	119	111.8 Å²	111.8	64%	0.636	56%	0.563	S	S	*	*	H	α-helix	trans	-60.5	-30.9	165.8	-70	-21.6	0	0	0	111.6	N88 N95	N88-D92 WeakPolarHBondContact O-CB 3.49Å; N88-D92 VanDerWaalsContact O-CG 3.3Å; N88-D92 PolarHBondContact O-N 3.37Å; D92-N95 VanDerWaalsContact O-O 3.04Å
93	L	36.1	Very low	39.8	Very low	74 Å²	74	113.9 Å²	113.9	39%	0.387	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.5	-16.4	172	-74.3	168.4	0	0	0	114.2	T89 M90 D91 N154 V158	T89-L93 HydrophobicContact CG2-CD1 4.15Å; T89-L93 WeakPolarHBondContact O-CB 3.25Å; T89-L93 WeakPolarHBondContact O-CD1 3.46Å; T89-L93 WeakPolarHBondContact O-CG 3.43Å; T89-L93 PolarHBondContact O-N 2.7Å; M90-L93 HydrophobicContact SD-CD1 4.5Å; D91-L93 PolarHBondContact O-N 3.02Å; L93-N154 HydrophobicContact CD2-CB 4.34Å; L93-V158 HydrophobicContact CD1-CG2 3.74Å; L93-V158 HydrophobicContact CD2-CG2 4.16Å
94	K	35.2	Very low	38.7	Very low	117 Å²	117	119 Å²	119	51%	0.509	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.2	-40	172.8	-73.6	165.4	-154.6	155.3	0	111.8	M90 D91 N96	M90-K94 WeakPolarHBondContact O-CE 3.47Å; M90-K94 VanDerWaalsContact O-CG 3.3Å; M90-K94 WeakPolarHBondContact O-CG 3.46Å; M90-K94 PolarHBondContact O-N 2.97Å; D91-K94 PolarHBondContact O-N 2.87Å; D91-K94 WeakPolarHBondContact OD1-CD 3.38Å; D91-K94 WeakPolarHBondContact OD1-CE 3.29Å; D91-K94 IonicContact OD1-NZ 3.73Å; D91-K94 PolarHBondContact OD1-NZ 3.11Å; K94-N96 PolarHBondContact O-N 3.04Å; K94-N96 PolarHBondContact O-ND2 3.16Å
95	N	35.3	Very low	37.5	Very low	92 Å²	92	121.4 Å²	121.4	49%	0.492	62%	0.618	S	S	.	*	S	Bend	trans	-79.8	106.6	178.8	-63.9	-44.3	0	0	0	108.5	D91 D92 N97	D91-N95 WeakPolarHBondContact O-CB 3.42Å; D91-N95 PolarHBondContact O-N 2.9Å; D91-N95 PolarHBondContact O-ND2 3.28Å; D92-N95 VanDerWaalsContact O-O 3.04Å; N95-N97 PolarHBondContact O-N 3.44Å
96	N	32.8	Very low	36.2	Very low	157 Å²	157	125.1 Å²	125.1	84%	0.84	64%	0.638	S	S	*	*			trans	-75.2	47.2	-178.1	-72.9	-97.4	0	0	0	112.2	K94	K94-N96 PolarHBondContact O-N 3.04Å; K94-N96 PolarHBondContact O-ND2 3.16Å
97	N	32.5	Very low	35.1	Very low	135 Å²	135	130 Å²	130	72%	0.722	67%	0.665	S	S	*	*			trans	-92.3	111.1	175.6	-62.8	-6.2	0	0	0	107.3	N95	N95-N97 PolarHBondContact O-N 3.44Å
98	E	31.6	Very low	34.1	Very low	177 Å²	177	136.4 Å²	136.4	83%	0.827	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-56.8	134.9	157.6	-63.5	178.7	131.3	0	0	107.3	E100	E98-E100 PolarHBondContact O-N 3.35Å; E98-E100 VanDerWaalsContact O-N 3.15Å
99	P	28.1	Very low	33	Very low	123 Å²	123	137.9 Å²	137.9	80%	0.799	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-63.6	120.1	179.1	25.9	-33.1	0	0	0	108.9	E101	P99-E101 PolarHBondContact O-N 3.43Å
100	E	31.7	Very low	32.1	Very low	190 Å²	190	141.2 Å²	141.2	89%	0.888	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-60	135	177.6	-66.8	-171.3	133.9	0	0	110	E98 D102	E98-E100 PolarHBondContact O-N 3.35Å; E98-E100 VanDerWaalsContact O-N 3.15Å; E100-D102 PolarHBondContact O-N 3.15Å
101	E	31	Very low	31.5	Very low	198 Å²	198	147.4 Å²	147.4	93%	0.925	74%	0.743	S	S	*	*	S	Bend	trans	-73.1	65.9	-173.7	-65.1	-173.3	122.4	0	0	112.8	P99	P99-E101 PolarHBondContact O-N 3.43Å
102	D	29.2	Very low	30.7	Very low	150 Å²	150	155.3 Å²	155.3	80%	0.802	77%	0.77	S	S	*	*			trans	-159.4	69.9	168.1	-109.6	-25.4	0	0	0	112.9	E100	E100-D102 PolarHBondContact O-N 3.15Å
103	N	29.7	Very low	30	Very low	168 Å²	168	155.9 Å²	155.9	90%	0.898	77%	0.771	S	S	*	*			trans	-168.6	68.6	154.4	-97.7	-49.4	0	0	0	111	E105	N103-E105 PolarHBondContact O-N 2.8Å
104	Q	28.8	Very low	29.5	Very low	195 Å²	195	158.8 Å²	158.8	91%	0.911	79%	0.786	S	S	*	*			trans	-82.8	87.8	171.1	-73	-171.3	-32.6	0	0	111.5
105	E	29	Very low	29.1	Very low	171 Å²	171	161.6 Å²	161.6	80%	0.799	80%	0.801	S	S	*	*			trans	-167.2	149.6	151.4	-113.5	164.1	-148.9	0	0	111.8	N103	N103-E105 PolarHBondContact O-N 2.8Å
106	N	26	Very low	28.7	Very low	150 Å²	150	162.1 Å²	162.1	80%	0.802	82%	0.819	S	S	*	*			trans	63.4	69.6	169.9	-50.7	-44.5	0	0	0	117.8
107	M	27	Very low	28.4	Very low	156 Å²	156	161 Å²	161	77%	0.768	82%	0.817	S	S	*	*			trans	-132.6	79.8	157.6	-166	-172.4	-60.2	0	0	110.4	L109	M107-L109 VanDerWaalsContact C-N 3.27Å; M107-L109 HydrophobicContact CG-CB 4.4Å; M107-L109 HydrophobicContact CG-CD1 4.41Å; M107-L109 PolarHBondContact O-N 3.03Å
108	E	26.9	Very low	28.2	Very low	197 Å²	197	158.3 Å²	158.3	92%	0.921	81%	0.809	S	S	*	*			trans	-74.8	76	175.8	-68.2	-174.8	135.2	0	0	110.9
109	L	27.1	Very low	28.1	Very low	126 Å²	126	155.8 Å²	155.8	66%	0.66	80%	0.801	S	S	*	*			trans	-90.9	2	-176.9	-147.6	75.2	0	0	0	114.1	M107	M107-L109 VanDerWaalsContact C-N 3.27Å; M107-L109 HydrophobicContact CG-CB 4.4Å; M107-L109 HydrophobicContact CG-CD1 4.41Å; M107-L109 PolarHBondContact O-N 3.03Å
110	D	27.6	Very low	28.1	Very low	151 Å²	151	154.5 Å²	154.5	81%	0.807	79%	0.793	S	S	*	*	S	Bend	trans	-92.5	-19.9	-166.3	-80.5	-33.3	0	0	0	115.5
111	E	28.7	Very low	28.1	Very low	180 Å²	180	149.8 Å²	149.8	84%	0.841	78%	0.781	S	S	*	*	S	Bend	trans	-87.9	-26.8	-168	-158.4	164	-132.4	0	0	114.6	I113	E111-I113 VanDerWaalsContact C-N 3.32Å; E111-I113 PolarHBondContact O-N 3.17Å
112	Y	26.7	Very low	28	Very low	236 Å²	236	147.2 Å²	147.2	93%	0.925	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	7.5	-172.2	-109.3	-90.2	0	0	0	116.3
113	I	28.6	Very low	27.9	Very low	130 Å²	130	148.7 Å²	148.7	67%	0.667	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-8.2	-168.1	-73.3	177.7	0	0	0	114.3	E111	E111-I113 VanDerWaalsContact C-N 3.32Å; E111-I113 PolarHBondContact O-N 3.17Å
114	L	27	Very low	27.8	Very low	136 Å²	136	144.8 Å²	144.8	71%	0.712	76%	0.759	S	S	*	*	S	Bend	trans	-118	-23.7	-167.3	-85	162.9	0	0	0	118.6	A116	L114-A116 PolarHBondContact O-N 3.41Å
115	E	25.7	Very low	27.7	Very low	175 Å²	175	145.1 Å²	145.1	82%	0.818	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	10.7	-163.9	-63.4	-141	121.2	0	0	117.4	S118	E115-S118 PolarHBondContact O-OG 2.92Å
116	A	26.3	Very low	27.7	Very low	104 Å²	104	142.2 Å²	142.2	86%	0.86	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	12.5	174.6	0	0	0	0	0	114.4	L114	L114-A116 PolarHBondContact O-N 3.41Å
117	T	26.9	Very low	27.8	Very low	132 Å²	132	143.4 Å²	143.4	81%	0.81	74%	0.741	S	S	*	*	S	Bend	trans	-123.8	28.8	-175.9	58.5	0	0	0	0	113.9
118	S	27.9	Very low	27.9	Very low	79 Å²	79	143.1 Å²	143.1	55%	0.552	74%	0.743	S	S	*	*			trans	-135.5	24.1	-162.1	36.6	0	0	0	0	115.9	E115 P120	E115-S118 PolarHBondContact O-OG 2.92Å; S118-P120 WeakPolarHBondContact O-CD 3.38Å
119	D	29.2	Very low	28	Very low	124 Å²	124	138.6 Å²	138.6	66%	0.663	72%	0.724	S	S	*	*			trans	-97.5	110.8	158.8	-169.1	-26.8	0	0	0	110.7	S121	D119-S121 VanDerWaalsContact C-N 3.32Å; D119-S121 PolarHBondContact O-N 3.23Å; D119-S121 WeakPolarHBondContact OD1-CB 3.37Å; D119-S121 PolarHBondContact OD1-N 3.03Å; D119-S121 PolarHBondContact OD1-OG 3.45Å; D119-S121 PolarHBondContact OD2-OG 3.06Å
120	P	28.7	Very low	28	Very low	97 Å²	97	138.9 Å²	138.9	63%	0.63	73%	0.725	S	S	*	*			trans	-76.5	-9.9	-179.4	-17	33	0	0	0	115.6	S118	S118-P120 WeakPolarHBondContact O-CD 3.38Å
121	S	31.6	Very low	28	Very low	91 Å²	91	134.5 Å²	134.5	64%	0.636	72%	0.716	S	S	*	*	S	Bend	trans	-79.9	-37	-157.3	66.3	0	0	0	0	115.5	D119 K123	D119-S121 VanDerWaalsContact C-N 3.32Å; D119-S121 PolarHBondContact O-N 3.23Å; D119-S121 WeakPolarHBondContact OD1-CB 3.37Å; D119-S121 PolarHBondContact OD1-N 3.03Å; D119-S121 PolarHBondContact OD1-OG 3.45Å; D119-S121 PolarHBondContact OD2-OG 3.06Å; S121-K123 PolarHBondContact O-N 2.8Å
122	N	28.4	Very low	28	Very low	143 Å²	143	131.4 Å²	131.4	77%	0.765	71%	0.709	S	S	*	*			trans	-98.8	66.2	-164.9	-151.7	-13	0	0	0	113.7
123	K	27.8	Very low	28.2	Very low	182 Å²	182	127.5 Å²	127.5	79%	0.791	70%	0.699	S	S	*	*			trans	-106.4	83	-175.6	-75	178.1	179.2	165.3	0	114.1	S121	S121-K123 PolarHBondContact O-N 2.8Å
124	S	28.1	Very low	28.2	Very low	85 Å²	85	129.5 Å²	129.5	59%	0.594	71%	0.705	S	S	*	*	S	Bend	trans	-141.3	-49.7	162.8	58.6	0	0	0	0	113.9
125	Y	26.4	Very low	28.1	Very low	203 Å²	203	130.4 Å²	130.4	80%	0.796	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	4.5	-161.4	-106.6	-97.9	0	0	0	118.4
126	N	29.8	Very low	28.1	Very low	109 Å²	109	126.7 Å²	126.7	58%	0.583	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	19.4	-172.7	-88.8	-34.9	0	0	0	115.2
127	K	27.5	Very low	28.1	Very low	176 Å²	176	130.7 Å²	130.7	77%	0.765	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-37.6	-177	-103.2	-175.4	174.6	-178.4	0	114.8
128	D	28.5	Very low	28	Very low	149 Å²	149	130.3 Å²	130.3	80%	0.797	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-21.1	-166	-54.8	-44.4	0	0	0	113.7
129	I	29.4	Very low	28	Very low	103 Å²	103	132.5 Å²	132.5	53%	0.528	71%	0.708	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80	-29.9	177.9	-61.7	173.4	0	0	0	111.6	G131	I129-G131 VanDerWaalsContact C-N 3.32Å; I129-G131 PolarHBondContact O-N 3.4Å
130	L	28.2	Very low	27.8	Very low	132 Å²	132	134.6 Å²	134.6	69%	0.691	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-12.2	-178.8	-82.8	165	0	0	0	114.2
131	G	26.4	Very low	27.8	Very low	59 Å²	59	135.7 Å²	135.7	61%	0.608	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-21.1	-176	0	0	0	0	0	115.7	I129	I129-G131 VanDerWaalsContact C-N 3.32Å; I129-G131 PolarHBondContact O-N 3.4Å
132	V	29.2	Very low	27.5	Very low	115 Å²	115	135.9 Å²	135.9	70%	0.697	72%	0.72	S	S	*	*	S	Bend	trans	-89.7	-25	-167.7	-174.8	0	0	0	0	113.2	Q134	V132-Q134 PolarHBondContact O-N 3.12Å
133	H	30.6	Very low	27.6	Very low	153 Å²	153	136.7 Å²	136.7	71%	0.708	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-0.5	-166.3	-87.5	-78.5	0	0	0	117.2
134	Q	28.3	Very low	27.5	Very low	173 Å²	173	135 Å²	135	81%	0.808	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-5.3	-170.4	-72.2	-166.4	-25.2	0	0	116.5	V132	V132-Q134 PolarHBondContact O-N 3.12Å
135	N	25.3	Very low	27.8	Very low	155 Å²	155	134 Å²	134	83%	0.829	72%	0.72	S	S	*	*	S	Bend	trans	-126.2	13.4	-166.3	-76.4	-53.7	0	0	0	116.5
136	T	26.4	Very low	27.9	Very low	97 Å²	97	128.1 Å²	128.1	60%	0.595	72%	0.721	S	S	*	*	S	Bend	trans	-128.2	114.9	-176.9	19.1	0	0	0	0	113
137	F	25.7	Very low	28.1	Very low	187 Å²	187	129.7 Å²	129.7	82%	0.82	73%	0.729	S	S	*	*			trans	66.6	100.6	169.8	-60.6	-76.1	0	0	0	118.5
138	P	24.5	Very low	28.4	Very low	124 Å²	124	124.8 Å²	124.8	81%	0.805	73%	0.729	S	S	*	*			trans	-89.6	105.2	170.2	33.8	-30.3	0	0	0	111.9	K140	P138-K140 PolarHBondContact O-N 2.92Å
139	V	28.5	Very low	28.5	Very low	126 Å²	126	123.9 Å²	123.9	76%	0.764	72%	0.724	S	S	*	*			trans	-82.2	105.9	164.1	-177.7	0	0	0	0	108.5
140	K	25.3	Very low	28.6	Very low	167 Å²	167	126 Å²	126	73%	0.726	74%	0.735	S	S	*	*			trans	-76	126.2	169.3	-80.9	-175.7	172.8	-177.9	0	109.3	P138 S142	P138-K140 PolarHBondContact O-N 2.92Å; K140-S142 WeakPolarHBondContact O-CB 3.42Å; K140-S142 PolarHBondContact O-N 3.05Å; K140-S142 VanDerWaalsContact O-N 3.1Å; K140-S142 PolarHBondContact O-OG 3.12Å
141	P	26.9	Very low	28.8	Very low	121 Å²	121	125.4 Å²	125.4	79%	0.786	74%	0.736	S	S	*	*			trans	-60.7	117.5	167.6	26.5	-32.9	0	0	0	108.6
142	S	26.3	Very low	29.3	Very low	94 Å²	94	125.5 Å²	125.5	66%	0.657	73%	0.725	S	S	*	*			trans	-130.7	59.1	-162.9	-61.9	0	0	0	0	112.9	K140	K140-S142 WeakPolarHBondContact O-CB 3.42Å; K140-S142 PolarHBondContact O-N 3.05Å; K140-S142 VanDerWaalsContact O-N 3.1Å; K140-S142 PolarHBondContact O-OG 3.12Å
143	I	31	Very low	29.8	Very low	160 Å²	160	123.4 Å²	123.4	82%	0.821	71%	0.71	S	S	*	*			trans	-151.3	126.6	148.4	-92.5	135.3	0	0	0	106.6
144	V	26.3	Very low	30.1	Very low	147 Å²	147	120.3 Å²	120.3	89%	0.891	70%	0.699	S	S	*	*			trans	-102.9	102.4	167.5	176.7	0	0	0	0	106.8
145	S	32.3	Very low	30.4	Very low	64 Å²	64	117.1 Å²	117.1	45%	0.448	68%	0.684	S	S	.	*			trans	-79.2	156.1	161.2	67	0	0	0	0	109.2	N147	S145-N147 PolarHBondContact O-N 3.15Å
146	G	30.4	Very low	31.1	Very low	79 Å²	79	111.7 Å²	111.7	81%	0.814	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-7.2	-163.1	0	0	0	0	0	117.2
147	N	34	Very low	31.7	Very low	142 Å²	142	112.1 Å²	112.1	76%	0.759	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	35.9	-163.8	-68.2	0	0	0	0	114.1	S145 N149	S145-N147 PolarHBondContact O-N 3.15Å; N147-N149 PolarHBondContact O-N 3.32Å; N147-N149 PolarHBondContact O-OD1 2.89Å
148	G	32	Very low	32.2	Very low	73 Å²	73	105.3 Å²	105.3	75%	0.753	63%	0.625	S	S	*	*			trans	69.3	-19	163.6	0	0	0	0	0	118.5
149	N	31.3	Very low	32.9	Very low	131 Å²	131	103.1 Å²	103.1	70%	0.701	60%	0.604	S	S	*	*			trans	-77.4	133.2	-174.1	-68.3	-7	0	0	0	112.2	N147 V151	N147-N149 PolarHBondContact O-N 3.32Å; N147-N149 PolarHBondContact O-OD1 2.89Å; N149-V151 PolarHBondContact O-N 3.46Å
150	I	31.2	Very low	33.6	Very low	148 Å²	148	100.7 Å²	100.7	76%	0.759	59%	0.586	S	S	*	*			trans	-79.7	87	172.9	-55.1	177.2	0	0	0	108.3	V152	I150-V152 HydrophobicContact CG2-CG2 4.2Å; I150-V152 PolarHBondContact O-N 2.92Å
151	V	32.9	Very low	34.3	Very low	118 Å²	118	96.7 Å²	96.7	72%	0.715	58%	0.576	S	S	*	*			trans	-72.2	95.1	171.1	-176.8	0	0	0	0	108.5	N149 D153	N149-V151 PolarHBondContact O-N 3.46Å; V151-D153 PolarHBondContact O-N 3.35Å
152	V	37.9	Very low	35	Very low	61 Å²	61	94.6 Å²	94.6	37%	0.37	56%	0.555	S	S	.	*			trans	-70.4	113.4	164.9	-176.6	0	0	0	0	107	I150 K157	I150-V152 HydrophobicContact CG2-CG2 4.2Å; I150-V152 PolarHBondContact O-N 2.92Å; V152-K157 HydrophobicContact CG1-CG 3.95Å; V152-K157 VanDerWaalsContact O-CE 3.28Å; V152-K157 WeakPolarHBondContact O-CE 3.47Å
153	D	39.7	Very low	35.8	Very low	71 Å²	71	95.8 Å²	95.8	38%	0.38	55%	0.55	S	S	.	*			trans	-65.6	156.9	-179.4	108.8	90	0	0	0	111.1	V151 Q155 S156 K157	V151-D153 PolarHBondContact O-N 3.35Å; D153-Q155 VanDerWaalsContact C-N 3.26Å; D153-Q155 PolarHBondContact O-N 2.86Å; D153-Q155 WeakPolarHBondContact OD1-CA 3.48Å; D153-Q155 WeakPolarHBondContact OD1-CB 3.48Å; D153-Q155 PolarHBondContact OD1-N 3.01Å; D153-S156 WeakPolarHBondContact O-CB 3.17Å; D153-S156 PolarHBondContact O-N 3.21Å; D153-S156 VanDerWaalsContact O-N 3.12Å; D153-S156 VanDerWaalsContact OD2-CB 3.3Å; D153-S156 WeakPolarHBondContact OD2-CB 3.26Å; D153-S156 PolarHBondContact OD2-N 3.31Å; D153-S156 PolarHBondContact OD2-OG 2.79Å; D153-K157 PolarHBondContact O-N 2.87Å
154	N	35.7	Very low	36.4	Very low	89 Å²	89	96.2 Å²	96.2	48%	0.476	54%	0.542	S	S	.	.	H	α-helix	trans	-64.8	-28.9	-175.6	-71.5	-12.1	0	0	0	112.9	L93 K157 V158	L93-N154 HydrophobicContact CD2-CB 4.34Å; N154-K157 PolarHBondContact O-N 3.33Å; N154-K157 PolarHBondContact OD1-NZ 2.98Å; N154-V158 WeakPolarHBondContact O-CG2 3.33Å; N154-V158 PolarHBondContact O-N 3.4Å
155	Q	35.8	Very low	37.1	Very low	105 Å²	105	91.7 Å²	91.7	49%	0.491	51%	0.512	S	S	.	.	H	α-helix	trans	-61.9	-47.4	172.2	-167.9	170.2	0.9	0	0	110.7	Y57 D153 K157 V158 E159	Y57-Q155 HydrophobicContact CE1-CG 3.79Å; Y57-Q155 VanDerWaalsContact CZ-NE2 3.3Å; Y57-Q155 WeakPolarHBondContact OH-CG 3.2Å; Y57-Q155 PolarHBondContact OH-NE2 3.24Å; D153-Q155 VanDerWaalsContact C-N 3.26Å; D153-Q155 PolarHBondContact O-N 2.86Å; D153-Q155 WeakPolarHBondContact OD1-CA 3.48Å; D153-Q155 WeakPolarHBondContact OD1-CB 3.48Å; D153-Q155 PolarHBondContact OD1-N 3.01Å; Q155-K157 PolarHBondContact O-N 3.32Å; Q155-V158 PolarHBondContact O-N 2.91Å; Q155-E159 PolarHBondContact O-N 3.22Å
156	S	40	Very low	37.6	Very low	42 Å²	42	90.4 Å²	90.4	29%	0.294	50%	0.503	S	S	.	.	H	α-helix	trans	-62.5	-36.9	173.6	-56.8	0	0	0	0	113	D153 I160	D153-S156 WeakPolarHBondContact O-CB 3.17Å; D153-S156 PolarHBondContact O-N 3.21Å; D153-S156 VanDerWaalsContact O-N 3.12Å; D153-S156 VanDerWaalsContact OD2-CB 3.3Å; D153-S156 WeakPolarHBondContact OD2-CB 3.26Å; D153-S156 PolarHBondContact OD2-N 3.31Å; D153-S156 PolarHBondContact OD2-OG 2.79Å; S156-I160 WeakPolarHBondContact O-CD1 3.25Å; S156-I160 VanDerWaalsContact O-CG1 3.31Å; S156-I160 WeakPolarHBondContact O-CG1 3.38Å; S156-I160 PolarHBondContact O-N 3.25Å; S156-I160 VanDerWaalsContact O-N 3.1Å
157	K	38.4	Very low	38.3	Very low	106 Å²	106	93 Å²	93	46%	0.461	49%	0.492	S	S	.	.	H	α-helix	trans	-64.7	-47.6	175.1	-66.5	178.1	-168.8	160	0	112	V152 D153 N154 Q155 E159 I160 V161	V152-K157 HydrophobicContact CG1-CG 3.95Å; V152-K157 VanDerWaalsContact O-CE 3.28Å; V152-K157 WeakPolarHBondContact O-CE 3.47Å; D153-K157 PolarHBondContact O-N 2.87Å; N154-K157 PolarHBondContact O-N 3.33Å; N154-K157 PolarHBondContact OD1-NZ 2.98Å; Q155-K157 PolarHBondContact O-N 3.32Å; K157-E159 VanDerWaalsContact C-N 3.29Å; K157-E159 PolarHBondContact O-N 3.13Å; K157-I160 WeakPolarHBondContact O-CB 3.49Å; K157-I160 PolarHBondContact O-N 2.94Å; K157-V161 PolarHBondContact O-N 2.83Å
158	V	35.2	Very low	38.7	Very low	44 Å²	44	90.3 Å²	90.3	27%	0.267	48%	0.475	S	S	.	.	H	α-helix	trans	-59.8	-42.2	177.8	166.3	0	0	0	0	110.5	L93 N154 Q155 I160 V161 H162	L93-V158 HydrophobicContact CD1-CG2 3.74Å; L93-V158 HydrophobicContact CD2-CG2 4.16Å; N154-V158 WeakPolarHBondContact O-CG2 3.33Å; N154-V158 PolarHBondContact O-N 3.4Å; Q155-V158 PolarHBondContact O-N 2.91Å; V158-I160 PolarHBondContact O-N 3.28Å; V158-V161 PolarHBondContact O-N 3.15Å; V158-H162 PolarHBondContact O-CD2 3.22Å; V158-H162 VanDerWaalsContact O-CD2 3.24Å; V158-H162 PolarHBondContact O-N 3.2Å
159	E	39.3	Very low	39.2	Very low	78 Å²	78	88.8 Å²	88.8	36%	0.364	45%	0.449	S	S	.	.	H	α-helix	trans	-62.4	-39.9	176.2	-163.3	172.5	-148.1	0	0	112.4	Q155 K157 H162 Q163	Q155-E159 PolarHBondContact O-N 3.22Å; K157-E159 VanDerWaalsContact C-N 3.29Å; K157-E159 PolarHBondContact O-N 3.13Å; E159-H162 PolarHBondContact O-N 3.04Å; E159-Q163 WeakPolarHBondContact O-CB 3.14Å; E159-Q163 VanDerWaalsContact O-CG 3.24Å; E159-Q163 WeakPolarHBondContact O-CG 3.37Å; E159-Q163 PolarHBondContact O-N 3.45Å
160	I	43.1	Very low	39.6	Very low	75 Å²	75	85.3 Å²	85.3	39%	0.385	43%	0.429	S	S	.	.	H	α-helix	trans	-63.1	-41	173.6	-69.5	163.1	0	0	0	111.9	S156 K157 V158 Q163 R164	S156-I160 WeakPolarHBondContact O-CD1 3.25Å; S156-I160 VanDerWaalsContact O-CG1 3.31Å; S156-I160 WeakPolarHBondContact O-CG1 3.38Å; S156-I160 PolarHBondContact O-N 3.25Å; S156-I160 VanDerWaalsContact O-N 3.1Å; K157-I160 WeakPolarHBondContact O-CB 3.49Å; K157-I160 PolarHBondContact O-N 2.94Å; V158-I160 PolarHBondContact O-N 3.28Å; I160-Q163 PolarHBondContact O-N 2.98Å; I160-R164 WeakPolarHBondContact O-CG 3.4Å; I160-R164 PolarHBondContact O-N 3.49Å
161	V	40	Very low	40.5	Very low	83 Å²	83	83.5 Å²	83.5	50%	0.503	42%	0.416	S	S	.	.	H	α-helix	trans	-65.4	-46.1	177.8	174	0	0	0	0	111	K157 V158 Q163 R164 L165	K157-V161 PolarHBondContact O-N 2.83Å; V158-V161 PolarHBondContact O-N 3.15Å; V161-Q163 PolarHBondContact O-N 2.99Å; V161-R164 PolarHBondContact O-N 3.5Å; V161-L165 PolarHBondContact O-N 3.43Å
162	H	42.3	Very low	40.9	Very low	76 Å²	76	82.2 Å²	82.2	35%	0.352	40%	0.399	S	S	.	.	H	α-helix	trans	-65.2	-37.8	176	-75.1	-67.8	0	0	0	112.9	V158 E159 R164 L165 S166	V158-H162 PolarHBondContact O-CD2 3.22Å; V158-H162 VanDerWaalsContact O-CD2 3.24Å; V158-H162 PolarHBondContact O-N 3.2Å; E159-H162 PolarHBondContact O-N 3.04Å; H162-R164 VanDerWaalsContact C-N 3.34Å; H162-R164 PolarHBondContact O-N 2.57Å; H162-L165 PolarHBondContact O-N 2.88Å; H162-S166 VanDerWaalsContact O-CB 3.27Å; H162-S166 WeakPolarHBondContact O-CB 3.49Å; H162-S166 PolarHBondContact O-N 3.29Å
163	Q	42.2	Very low	41.2	Very low	119 Å²	119	82.1 Å²	82.1	56%	0.556	40%	0.395	S	S	*	.	H	α-helix	trans	-62.6	-39	173.4	-75.9	177.2	22	0	0	112.1	E159 I160 V161 K167	E159-Q163 WeakPolarHBondContact O-CB 3.14Å; E159-Q163 VanDerWaalsContact O-CG 3.24Å; E159-Q163 WeakPolarHBondContact O-CG 3.37Å; E159-Q163 PolarHBondContact O-N 3.45Å; I160-Q163 PolarHBondContact O-N 2.98Å; V161-Q163 PolarHBondContact O-N 2.99Å; Q163-K167 WeakPolarHBondContact O-CB 3.44Å; Q163-K167 PolarHBondContact O-N 2.79Å
164	R	43.8	Very low	41.7	Very low	169 Å²	169	82.1 Å²	82.1	64%	0.638	39%	0.391	S	S	*	.	H	α-helix	trans	-64.9	-50.5	173.2	-73.3	175.4	-179.5	-163.9	0.4	111.3	I160 V161 H162 S166 K167 E168	I160-R164 WeakPolarHBondContact O-CG 3.4Å; I160-R164 PolarHBondContact O-N 3.49Å; V161-R164 PolarHBondContact O-N 3.5Å; H162-R164 VanDerWaalsContact C-N 3.34Å; H162-R164 PolarHBondContact O-N 2.57Å; R164-S166 PolarHBondContact O-N 3.35Å; R164-K167 WeakPolarHBondContact O-CB 3.4Å; R164-K167 PolarHBondContact O-N 3.1Å; R164-K167 VanDerWaalsContact O-N 3.12Å; R164-E168 PolarHBondContact O-N 2.97Å
165	L	42.5	Very low	42.5	Very low	52 Å²	52	80.7 Å²	80.7	27%	0.272	39%	0.392	S	S	.	.	H	α-helix	trans	-60.4	-46.6	-179	-174.4	65.4	0	0	0	112	L72 A75 V161 H162 K167 E168 I169	L72-L165 HydrophobicContact CD1-CD1 4.35Å; L72-L165 HydrophobicContact CD1-CD2 4.4Å; A75-L165 HydrophobicContact CB-CD1 3.84Å; V161-L165 PolarHBondContact O-N 3.43Å; H162-L165 PolarHBondContact O-N 2.88Å; L165-K167 VanDerWaalsContact C-N 3.26Å; L165-K167 PolarHBondContact O-N 3.43Å; L165-E168 PolarHBondContact O-N 3.16Å; L165-E168 VanDerWaalsContact O-N 3.17Å; L165-I169 HydrophobicContact CG-CD1 4.08Å; L165-I169 WeakPolarHBondContact O-CG1 3.5Å; L165-I169 PolarHBondContact O-N 3.45Å
166	S	41.6	Very low	42.9	Very low	37 Å²	37	80.2 Å²	80.2	26%	0.259	39%	0.388	S	S	.	.	H	α-helix	trans	-57.2	-38.7	175	174.5	0	0	0	0	112.2	H49 H162 R164 M170	H49-S166 PolarHBondContact CE1-OG 3.21Å; H162-S166 VanDerWaalsContact O-CB 3.27Å; H162-S166 WeakPolarHBondContact O-CB 3.49Å; H162-S166 PolarHBondContact O-N 3.29Å; R164-S166 PolarHBondContact O-N 3.35Å; S166-M170 WeakPolarHBondContact O-CB 3.28Å; S166-M170 VanDerWaalsContact O-CG 3.25Å; S166-M170 WeakPolarHBondContact O-CG 3.42Å; S166-M170 PolarHBondContact O-N 3.28Å
167	K	45.2	Very low	43.3	Very low	135 Å²	135	81.2 Å²	81.2	59%	0.587	39%	0.385	S	S	*	.	H	α-helix	trans	-70.4	-33.2	178.2	-170.1	176.9	-176.5	179.1	0	113.4	Q163 R164 L165 K171	Q163-K167 WeakPolarHBondContact O-CB 3.44Å; Q163-K167 PolarHBondContact O-N 2.79Å; R164-K167 WeakPolarHBondContact O-CB 3.4Å; R164-K167 PolarHBondContact O-N 3.1Å; R164-K167 VanDerWaalsContact O-N 3.12Å; L165-K167 VanDerWaalsContact C-N 3.26Å; L165-K167 PolarHBondContact O-N 3.43Å; K167-K171 WeakPolarHBondContact O-CG 3.4Å; K167-K171 PolarHBondContact O-N 2.82Å; K167-K171 VanDerWaalsContact O-N 3.13Å
168	E	43.4	Very low	44.3	Very low	84 Å²	84	79.5 Å²	79.5	39%	0.393	38%	0.381	S	S	.	.	H	α-helix	trans	-77.2	-34.8	174.5	-59.1	-47.5	121.3	0	0	112.5	R164 L165 K171 Y172	R164-E168 PolarHBondContact O-N 2.97Å; L165-E168 PolarHBondContact O-N 3.16Å; L165-E168 VanDerWaalsContact O-N 3.17Å; E168-K171 WeakPolarHBondContact O-CB 3.25Å; E168-K171 PolarHBondContact O-N 3.03Å; E168-K171 WeakPolarHBondContact OE1-CE 3.18Å; E168-K171 IonicContact OE1-NZ 3.61Å; E168-K171 PolarHBondContact OE1-NZ 3.24Å; E168-K171 WeakPolarHBondContact OE2-CD 3.43Å; E168-K171 WeakPolarHBondContact OE2-CE 3.33Å; E168-K171 IonicContact OE2-NZ 3.93Å; E168-K171 PolarHBondContact OE2-NZ 2.85Å; E168-Y172 PolarHBondContact O-N 3.43Å
169	I	40.8	Very low	45.2	Very low	42 Å²	42	80.7 Å²	80.7	22%	0.215	39%	0.391	C	S	.	.	H	α-helix	trans	-61	-49	169.7	-66.3	167.2	0	0	0	109.9	L165 K171 Y172 E173	L165-I169 HydrophobicContact CG-CD1 4.08Å; L165-I169 WeakPolarHBondContact O-CG1 3.5Å; L165-I169 PolarHBondContact O-N 3.45Å; I169-K171 VanDerWaalsContact C-N 3.3Å; I169-K171 PolarHBondContact O-N 3.42Å; I169-Y172 WeakPolarHBondContact O-CB 3.32Å; I169-Y172 PolarHBondContact O-N 3.23Å; I169-E173 HydrophobicContact CG2-CG 4.49Å; I169-E173 PolarHBondContact O-N 3.45Å
170	M	41.6	Very low	45.7	Very low	57 Å²	57	78.9 Å²	78.9	28%	0.281	38%	0.381	S	S	.	.	H	α-helix	trans	-55	-40.8	174.7	-80	-79.1	-74.6	0	0	113.1	H49 S166 K174	H49-M170 VanDerWaalsContact NE2-CE 3.33Å; H49-M170 WeakPolarHBondContact NE2-CE 3.49Å; S166-M170 WeakPolarHBondContact O-CB 3.28Å; S166-M170 VanDerWaalsContact O-CG 3.25Å; S166-M170 WeakPolarHBondContact O-CG 3.42Å; S166-M170 PolarHBondContact O-N 3.28Å; M170-K174 VanDerWaalsContact O-CB 3.25Å; M170-K174 WeakPolarHBondContact O-CB 3.29Å; M170-K174 PolarHBondContact O-N 3.16Å
171	K	48.5	Very low	46.4	Very low	111 Å²	111	78 Å²	78	48%	0.483	38%	0.377	S	S	.	.	H	α-helix	trans	-65.1	-40	173.7	-79.8	161.4	157.1	-179	0	112.3	K167 E168 I169 A175	K167-K171 WeakPolarHBondContact O-CG 3.4Å; K167-K171 PolarHBondContact O-N 2.82Å; K167-K171 VanDerWaalsContact O-N 3.13Å; E168-K171 WeakPolarHBondContact O-CB 3.25Å; E168-K171 PolarHBondContact O-N 3.03Å; E168-K171 WeakPolarHBondContact OE1-CE 3.18Å; E168-K171 IonicContact OE1-NZ 3.61Å; E168-K171 PolarHBondContact OE1-NZ 3.24Å; E168-K171 WeakPolarHBondContact OE2-CD 3.43Å; E168-K171 WeakPolarHBondContact OE2-CE 3.33Å; E168-K171 IonicContact OE2-NZ 3.93Å; E168-K171 PolarHBondContact OE2-NZ 2.85Å; I169-K171 VanDerWaalsContact C-N 3.3Å; I169-K171 PolarHBondContact O-N 3.42Å; K171-A175 WeakPolarHBondContact O-CB 3.25Å; K171-A175 PolarHBondContact O-N 3.36Å
172	Y	42.4	Very low	47.4	Very low	91 Å²	91	78.6 Å²	78.6	36%	0.357	38%	0.378	S	S	.	.	H	α-helix	trans	-69.6	-47	-179.2	171.7	-111.4	0	0	0	111.8	E71 E168 I169 K174 A175 K176	E71-Y172 VanDerWaalsContact OE1-CE1 3.28Å; E71-Y172 WeakPolarHBondContact OE1-CE1 3.07Å; E168-Y172 PolarHBondContact O-N 3.43Å; I169-Y172 WeakPolarHBondContact O-CB 3.32Å; I169-Y172 PolarHBondContact O-N 3.23Å; Y172-K174 VanDerWaalsContact C-N 3.32Å; Y172-K174 PolarHBondContact O-N 3.14Å; Y172-A175 PolarHBondContact O-N 2.94Å; Y172-K176 WeakPolarHBondContact O-CB 3.21Å; Y172-K176 PolarHBondContact O-N 3.09Å
173	E	43.2	Very low	47.7	Very low	59 Å²	59	77.5 Å²	77.5	28%	0.276	38%	0.376	S	S	.	.	H	α-helix	trans	-60.3	-42.3	172.9	-68.5	-163.7	152.7	0	0	111.5	F41 I169 K176 R177	F41-E173 HydrophobicContact CE2-CB 4.09Å; I169-E173 HydrophobicContact CG2-CG 4.49Å; I169-E173 PolarHBondContact O-N 3.45Å; E173-K176 PolarHBondContact O-N 2.6Å; E173-R177 WeakPolarHBondContact O-CB 3.16Å; E173-R177 PolarHBondContact O-N 3.23Å
174	K	51.2	Low	48.2	Very low	70 Å²	70	72.7 Å²	72.7	30%	0.304	35%	0.354	S	S	.	.	H	α-helix	trans	-60.3	-48.2	173.8	-173.2	-175.8	174.1	-171.8	0	111.8	M170 Y172 K176 R177 D178	M170-K174 VanDerWaalsContact O-CB 3.25Å; M170-K174 WeakPolarHBondContact O-CB 3.29Å; M170-K174 PolarHBondContact O-N 3.16Å; Y172-K174 VanDerWaalsContact C-N 3.32Å; Y172-K174 PolarHBondContact O-N 3.14Å; K174-K176 VanDerWaalsContact C-N 3.28Å; K174-K176 PolarHBondContact O-N 3.33Å; K174-R177 CarbonylContact O-C 3.58Å; K174-R177 WeakPolarHBondContact O-CB 3.2Å; K174-R177 PolarHBondContact O-N 2.87Å; K174-R177 VanDerWaalsContact O-N 3.15Å; K174-D178 VanDerWaalsContact CE-OD2 3.25Å; K174-D178 WeakPolarHBondContact CE-OD2 3.29Å; K174-D178 WeakPolarHBondContact O-CB 3.39Å; K174-D178 VanDerWaalsContact O-CG 3.23Å; K174-D178 PolarHBondContact O-N 3.24Å
175	A	51	Low	49	Very low	59 Å²	59	70.4 Å²	70.4	49%	0.488	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-35.4	179.7	0	0	0	0	0	112.6	K171 Y172 S179	K171-A175 WeakPolarHBondContact O-CB 3.25Å; K171-A175 PolarHBondContact O-N 3.36Å; Y172-A175 PolarHBondContact O-N 2.94Å; A175-S179 WeakPolarHBondContact O-CB 3.45Å; A175-S179 PolarHBondContact O-N 3.44Å
176	K	45.8	Very low	49.5	Very low	96 Å²	96	72.7 Å²	72.7	42%	0.417	36%	0.363	S	S	.	.	H	α-helix	trans	-67.1	-42	173.3	-171.8	-174.6	177.7	-161.1	0	111.6	Y172 E173 K174 Y180 E253	Y172-K176 WeakPolarHBondContact O-CB 3.21Å; Y172-K176 PolarHBondContact O-N 3.09Å; E173-K176 PolarHBondContact O-N 2.6Å; K174-K176 VanDerWaalsContact C-N 3.28Å; K174-K176 PolarHBondContact O-N 3.33Å; K176-Y180 PolarHBondContact O-N 2.75Å; K176-E253 IonicContact NZ-OE1 2.69Å; K176-E253 PolarHBondContact NZ-OE1 2.82Å; K176-E253 IonicContact NZ-OE2 2.58Å; K176-E253 PolarHBondContact NZ-OE2 3.31Å
177	R	48.2	Very low	49.9	Very low	63 Å²	63	72.6 Å²	72.6	24%	0.238	36%	0.361	C	S	.	.	H	α-helix	trans	-62.8	-46.9	173.5	172.8	179.1	174.4	167.2	-0.1	112.1	E173 K174 Y180 I181	E173-R177 WeakPolarHBondContact O-CB 3.16Å; E173-R177 PolarHBondContact O-N 3.23Å; K174-R177 CarbonylContact O-C 3.58Å; K174-R177 WeakPolarHBondContact O-CB 3.2Å; K174-R177 PolarHBondContact O-N 2.87Å; K174-R177 VanDerWaalsContact O-N 3.15Å; R177-Y180 PolarHBondContact O-N 3.13Å; R177-I181 HydrophobicContact CG-CD1 3.93Å; R177-I181 WeakPolarHBondContact O-CG1 3.35Å; R177-I181 PolarHBondContact O-N 3.29Å
178	D	59.7	Low	50.3	Low	69 Å²	69	69.9 Å²	69.9	37%	0.369	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-44.3	179.9	-66.4	-13.4	0	0	0	109.9	K174 Y180 I181 D182	K174-D178 VanDerWaalsContact CE-OD2 3.25Å; K174-D178 WeakPolarHBondContact CE-OD2 3.29Å; K174-D178 WeakPolarHBondContact O-CB 3.39Å; K174-D178 VanDerWaalsContact O-CG 3.23Å; K174-D178 PolarHBondContact O-N 3.24Å; D178-Y180 PolarHBondContact O-N 3.32Å; D178-I181 PolarHBondContact O-N 3.01Å; D178-D182 PolarHBondContact O-N 3.5Å
179	S	53.2	Low	50.9	Low	69 Å²	69	70.3 Å²	70.3	48%	0.483	35%	0.354	S	S	.	.	H	α-helix	trans	-61.2	-36.9	173.3	179.9	0	0	0	0	114.1	A175 T183	A175-S179 WeakPolarHBondContact O-CB 3.45Å; A175-S179 PolarHBondContact O-N 3.44Å; S179-T183 WeakPolarHBondContact O-CB 3.37Å; S179-T183 PolarHBondContact O-N 3.44Å; S179-T183 PolarHBondContact O-OG1 2.97Å
180	Y	49.8	Very low	51.2	Low	40 Å²	40	72.4 Å²	72.4	16%	0.157	36%	0.359	C	S	.	.	H	α-helix	trans	-69.9	-37.6	173.9	179.3	-90.2	0	0	0	112.1	M37 K176 R177 D178 T183 L184 M250	M37-Y180 HydrophobicContact CE-CD1 3.54Å; M37-Y180 HydrophobicContact CE-CE1 3.46Å; M37-Y180 VanDerWaalsContact CE-CE1 3.46Å; M37-Y180 HydrophobicContact CE-CG 4.39Å; M37-Y180 HydrophobicContact SD-CE1 4.33Å; K176-Y180 PolarHBondContact O-N 2.75Å; R177-Y180 PolarHBondContact O-N 3.13Å; D178-Y180 PolarHBondContact O-N 3.32Å; Y180-T183 WeakPolarHBondContact O-CB 3.35Å; Y180-T183 PolarHBondContact O-N 2.96Å; Y180-L184 HydrophobicContact CD1-CD1 4.03Å; Y180-L184 HydrophobicContact CD1-CG 4.3Å; Y180-L184 HydrophobicContact CE1-CD1 3.37Å; Y180-L184 HydrophobicContact CE1-CG 3.87Å; Y180-L184 PolarHBondContact O-N 2.61Å; Y180-M250 PolarHBondContact OH-SD 2.89Å
181	I	57.6	Low	51.4	Low	57 Å²	57	70.6 Å²	70.6	29%	0.292	35%	0.35	S	S	.	.	H	α-helix	trans	-64.5	-47.6	173.6	-69.1	166.8	0	0	0	110	R177 D178 T183 L184 E185	R177-I181 HydrophobicContact CG-CD1 3.93Å; R177-I181 WeakPolarHBondContact O-CG1 3.35Å; R177-I181 PolarHBondContact O-N 3.29Å; D178-I181 PolarHBondContact O-N 3.01Å; I181-T183 PolarHBondContact O-N 3.43Å; I181-L184 CarbonylContact O-C 3.48Å; I181-L184 PolarHBondContact O-N 2.63Å; I181-L184 VanDerWaalsContact O-N 3.11Å; I181-E185 HydrophobicContact CG2-CG 4.37Å; I181-E185 PolarHBondContact O-N 2.98Å
182	D	60.2	Low	51.6	Low	96 Å²	96	70.6 Å²	70.6	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-55.4	-40.1	173.2	-77.2	-9.7	0	0	0	111.3	D178 E185 N186	D178-D182 PolarHBondContact O-N 3.5Å; D182-E185 PolarHBondContact O-N 3.13Å; D182-N186 WeakPolarHBondContact O-CB 3.25Å; D182-N186 PolarHBondContact O-N 2.96Å; D182-N186 PolarHBondContact O-ND2 3.44Å
183	T	49.2	Very low	51.8	Low	53 Å²	53	73.4 Å²	73.4	33%	0.325	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-45.8	176.4	-58	0	0	0	0	111.6	S179 Y180 I181 N186 V187 L246	S179-T183 WeakPolarHBondContact O-CB 3.37Å; S179-T183 PolarHBondContact O-N 3.44Å; S179-T183 PolarHBondContact O-OG1 2.97Å; Y180-T183 WeakPolarHBondContact O-CB 3.35Å; Y180-T183 PolarHBondContact O-N 2.96Å; I181-T183 PolarHBondContact O-N 3.43Å; T183-N186 PolarHBondContact O-N 3.16Å; T183-V187 WeakPolarHBondContact O-CG2 3.35Å; T183-V187 PolarHBondContact O-N 3.12Å; T183-L246 HydrophobicContact CG2-CD1 4.39Å
184	L	54.2	Low	51.6	Low	18 Å²	18	72.3 Å²	72.3	9%	0.094	37%	0.37	C	S	.	.	H	α-helix	trans	-66.1	-37.5	175.7	-75.5	-175.5	0	0	0	112.8	I30 E34 Y180 I181 V187 K188	I30-L184 HydrophobicContact CG2-CD2 4.06Å; E34-L184 HydrophobicContact CG-CD1 4.42Å; Y180-L184 HydrophobicContact CD1-CD1 4.03Å; Y180-L184 HydrophobicContact CD1-CG 4.3Å; Y180-L184 HydrophobicContact CE1-CD1 3.37Å; Y180-L184 HydrophobicContact CE1-CG 3.87Å; Y180-L184 PolarHBondContact O-N 2.61Å; I181-L184 CarbonylContact O-C 3.48Å; I181-L184 PolarHBondContact O-N 2.63Å; I181-L184 VanDerWaalsContact O-N 3.11Å; L184-V187 PolarHBondContact O-N 3.49Å; L184-K188 WeakPolarHBondContact O-CB 3.12Å; L184-K188 VanDerWaalsContact O-CG 3.24Å; L184-K188 WeakPolarHBondContact O-CG 3.37Å; L184-K188 PolarHBondContact O-N 2.81Å
185	E	60.4	Low	51	Low	120 Å²	120	77.2 Å²	77.2	56%	0.561	39%	0.394	S	S	*	.	H	α-helix	trans	-68.1	-38.6	175.5	-72.2	-158.8	175	0	0	111.7	I181 D182 K188 L189	I181-E185 HydrophobicContact CG2-CG 4.37Å; I181-E185 PolarHBondContact O-N 2.98Å; D182-E185 PolarHBondContact O-N 3.13Å; E185-K188 PolarHBondContact O-N 3.29Å; E185-L189 VanDerWaalsContact O-CB 3.29Å; E185-L189 WeakPolarHBondContact O-CB 3.48Å; E185-L189 PolarHBondContact O-N 3.25Å
186	N	53.2	Low	50.3	Low	101 Å²	101	78.8 Å²	78.8	54%	0.54	39%	0.394	S	S	.	.	H	α-helix	trans	-64	-39.6	172.3	-81.3	-68.4	0	0	0	112.3	D182 T183 L189 W190	D182-N186 WeakPolarHBondContact O-CB 3.25Å; D182-N186 PolarHBondContact O-N 2.96Å; D182-N186 PolarHBondContact O-ND2 3.44Å; T183-N186 PolarHBondContact O-N 3.16Å; N186-L189 PolarHBondContact O-N 2.84Å; N186-W190 WeakPolarHBondContact O-CB 3.46Å; N186-W190 PolarHBondContact O-N 2.6Å
187	V	49.2	Very low	49.8	Very low	35 Å²	35	79.6 Å²	79.6	21%	0.212	41%	0.409	C	S	.	.	H	α-helix	trans	-64.4	-45.7	172.8	170.6	0	0	0	0	111.1	T183 L184 L189 W190 I191	T183-V187 WeakPolarHBondContact O-CG2 3.35Å; T183-V187 PolarHBondContact O-N 3.12Å; L184-V187 PolarHBondContact O-N 3.49Å; V187-L189 VanDerWaalsContact C-N 3.28Å; V187-L189 PolarHBondContact O-N 3.25Å; V187-W190 PolarHBondContact O-N 2.93Å; V187-I191 HydrophobicContact CG1-CD1 3.84Å; V187-I191 HydrophobicContact CG1-CG1 4.5Å; V187-I191 VanDerWaalsContact O-CG1 3.31Å; V187-I191 WeakPolarHBondContact O-CG1 3.31Å; V187-I191 PolarHBondContact O-N 2.91Å
188	K	52.4	Low	49	Very low	77 Å²	77	79.8 Å²	79.8	34%	0.335	41%	0.414	S	S	.	.	H	α-helix	trans	-59.2	-38.3	173.6	-71.8	165.8	-175.6	172.5	0	111.3	E34 L184 E185 N192	E34-K188 IonicContact OE1-NZ 2.61Å; E34-K188 IonicContact OE2-NZ 3.53Å; E34-K188 PolarHBondContact OE2-NZ 2.86Å; L184-K188 WeakPolarHBondContact O-CB 3.12Å; L184-K188 VanDerWaalsContact O-CG 3.24Å; L184-K188 WeakPolarHBondContact O-CG 3.37Å; L184-K188 PolarHBondContact O-N 2.81Å; E185-K188 PolarHBondContact O-N 3.29Å; K188-N192 WeakPolarHBondContact O-CB 3.02Å; K188-N192 VanDerWaalsContact O-CG 3.27Å; K188-N192 PolarHBondContact O-N 2.8Å; K188-N192 PolarHBondContact O-ND2 3.04Å
189	L	57	Low	47.6	Very low	94 Å²	94	84.5 Å²	84.5	49%	0.492	44%	0.44	S	S	.	.	H	α-helix	trans	-70	-40.1	177.4	-166.5	78.1	0	0	0	112.5	E185 N186 V187 N192 K193	E185-L189 VanDerWaalsContact O-CB 3.29Å; E185-L189 WeakPolarHBondContact O-CB 3.48Å; E185-L189 PolarHBondContact O-N 3.25Å; N186-L189 PolarHBondContact O-N 2.84Å; V187-L189 VanDerWaalsContact C-N 3.28Å; V187-L189 PolarHBondContact O-N 3.25Å; L189-N192 PolarHBondContact O-N 2.03Å; L189-K193 WeakPolarHBondContact O-CB 3.33Å; L189-K193 WeakPolarHBondContact O-CG 3.3Å; L189-K193 PolarHBondContact O-N 3.15Å
190	W	46.6	Very low	46.6	Very low	86 Å²	86	90 Å²	90	33%	0.326	46%	0.458	S	S	.	.	H	α-helix	trans	-66.5	-45	175.9	-175.8	88.2	0	0	0	111	N186 V187 N192 K193 A194 E235 V239	N186-W190 WeakPolarHBondContact O-CB 3.46Å; N186-W190 PolarHBondContact O-N 2.6Å; V187-W190 PolarHBondContact O-N 2.93Å; W190-N192 VanDerWaalsContact C-N 3.31Å; W190-N192 PolarHBondContact O-N 2.64Å; W190-K193 CarbonylContact O-C 3.18Å; W190-K193 WeakPolarHBondContact O-CA 3.37Å; W190-K193 WeakPolarHBondContact O-CB 3.5Å; W190-K193 PolarHBondContact O-N 3.13Å; W190-A194 PolarHBondContact O-N 2.93Å; W190-E235 HydrophobicContact CZ2-CB 4.03Å; W190-E235 PolarHBondContact NE1-OE2 3.4Å; W190-V239 HydrophobicContact CE3-CG2 4.35Å; W190-V239 HydrophobicContact CH2-CB 4.47Å; W190-V239 HydrophobicContact CH2-CG2 3.98Å; W190-V239 HydrophobicContact CZ2-CG2 4.16Å; W190-V239 HydrophobicContact CZ3-CB 4.47Å; W190-V239 HydrophobicContact CZ3-CG1 4.21Å; W190-V239 HydrophobicContact CZ3-CG2 4.08Å
191	I	46.3	Very low	45.5	Very low	18 Å²	18	92.4 Å²	92.4	9%	0.092	47%	0.472	C	S	.	.	H	α-helix	trans	-57.6	-43.1	173.2	-68.6	168.6	0	0	0	111.3	F23 L27 V187 K193 A194 L198	F23-I191 HydrophobicContact CE1-CG2 4.25Å; F23-I191 HydrophobicContact CZ-CD1 4.3Å; F23-I191 HydrophobicContact CZ-CG1 4.43Å; F23-I191 HydrophobicContact CZ-CG2 4.01Å; L27-I191 HydrophobicContact CD2-CD1 4.2Å; V187-I191 HydrophobicContact CG1-CD1 3.84Å; V187-I191 HydrophobicContact CG1-CG1 4.5Å; V187-I191 VanDerWaalsContact O-CG1 3.31Å; V187-I191 WeakPolarHBondContact O-CG1 3.31Å; V187-I191 PolarHBondContact O-N 2.91Å; I191-K193 VanDerWaalsContact C-N 3.34Å; I191-K193 PolarHBondContact O-N 3.09Å; I191-A194 PolarHBondContact O-N 2.86Å; I191-L198 HydrophobicContact CG2-CD1 4.09Å
192	N	51.8	Low	43.9	Very low	111 Å²	111	95.2 Å²	95.2	59%	0.594	50%	0.496	S	S	*	.	H	α-helix	trans	-68.6	-28.9	175.9	-76.2	-40.9	0	0	0	113.5	K188 L189 W190	K188-N192 WeakPolarHBondContact O-CB 3.02Å; K188-N192 VanDerWaalsContact O-CG 3.27Å; K188-N192 PolarHBondContact O-N 2.8Å; K188-N192 PolarHBondContact O-ND2 3.04Å; L189-N192 PolarHBondContact O-N 2.03Å; W190-N192 VanDerWaalsContact C-N 3.31Å; W190-N192 PolarHBondContact O-N 2.64Å
193	K	46.9	Very low	42.3	Very low	151 Å²	151	99 Å²	99	66%	0.657	52%	0.515	S	S	*	.	H	α-helix	trans	-76.5	-28.5	173.2	-84.3	-177.9	173.2	-179.7	0	113.5	L189 W190 I191 H195	L189-K193 WeakPolarHBondContact O-CB 3.33Å; L189-K193 WeakPolarHBondContact O-CG 3.3Å; L189-K193 PolarHBondContact O-N 3.15Å; W190-K193 CarbonylContact O-C 3.18Å; W190-K193 WeakPolarHBondContact O-CA 3.37Å; W190-K193 WeakPolarHBondContact O-CB 3.5Å; W190-K193 PolarHBondContact O-N 3.13Å; I191-K193 VanDerWaalsContact C-N 3.34Å; I191-K193 PolarHBondContact O-N 3.09Å; K193-H195 PolarHBondContact O-N 3.27Å
194	A	39.5	Very low	41.2	Very low	35 Å²	35	101.7 Å²	101.7	29%	0.289	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-3	-177.8	0	0	0	0	0	114.2	W190 I191 L196	W190-A194 PolarHBondContact O-N 2.93Å; I191-A194 PolarHBondContact O-N 2.86Å; A194-L196 HydrophobicContact CB-CD1 4.45Å; A194-L196 HydrophobicContact CB-CG 4.38Å; A194-L196 PolarHBondContact O-N 2.92Å
195	H	38	Very low	39.9	Very low	173 Å²	173	106 Å²	106	80%	0.801	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.6	19.4	178	-76.9	-55.5	0	0	0	115.8	K193	K193-H195 PolarHBondContact O-N 3.27Å
196	L	37.5	Very low	38.4	Very low	93 Å²	93	109.8 Å²	109.8	49%	0.487	58%	0.582	S	S	.	*			trans	-57.6	132.2	169.2	-70.4	168.9	0	0	0	109.9	F23 A194 L198	F23-L196 HydrophobicContact CE1-CD1 4.46Å; F23-L196 HydrophobicContact CZ-CD1 4.21Å; A194-L196 HydrophobicContact CB-CD1 4.45Å; A194-L196 HydrophobicContact CB-CG 4.38Å; A194-L196 PolarHBondContact O-N 2.92Å; L196-L198 VanDerWaalsContact C-N 3.29Å; L196-L198 PolarHBondContact O-N 3.2Å
197	P	35	Very low	37.2	Very low	112 Å²	112	112.7 Å²	112.7	73%	0.727	59%	0.592	S	S	*	*			trans	-76.7	73.9	-171	30.6	-36.2	0	0	0	112.8	N199	P197-N199 PolarHBondContact O-N 2.96Å; P197-N199 VanDerWaalsContact O-N 3.11Å
198	L	31	Very low	36.1	Very low	68 Å²	68	117.6 Å²	117.6	36%	0.356	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-64.4	-10.8	-180	-81.8	156.8	0	0	0	115	F23 L27 I191 L196 E200	F23-L198 HydrophobicContact CE1-CD2 4.32Å; L27-L198 HydrophobicContact CD1-CD2 3.82Å; I191-L198 HydrophobicContact CG2-CD1 4.09Å; L196-L198 VanDerWaalsContact C-N 3.29Å; L196-L198 PolarHBondContact O-N 3.2Å; L198-E200 PolarHBondContact O-N 2.7Å
199	N	31.2	Very low	35	Very low	168 Å²	168	120.7 Å²	120.7	90%	0.898	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-88.1	2.8	-167.4	-74.8	-14.8	0	0	0	116.3	P197	P197-N199 PolarHBondContact O-N 2.96Å; P197-N199 VanDerWaalsContact O-N 3.11Å
200	E	31.8	Very low	33.7	Very low	184 Å²	184	122.5 Å²	122.5	86%	0.86	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-112.7	1.5	178.4	-65.2	-159	149.7	0	0	115	L198	L198-E200 PolarHBondContact O-N 2.7Å
201	I	27	Very low	32.9	Very low	90 Å²	90	124.6 Å²	124.6	46%	0.462	67%	0.665	S	S	.	*	S	Bend	trans	-119.5	40.7	-169.9	-39.6	-171.9	0	0	0	112.5	P20	P20-I201 HydrophobicContact CB-CD1 3.23Å; P20-I201 HydrophobicContact CG-CD1 4.46Å
202	C	24.1	Very low	32.2	Very low	117 Å²	117	131.8 Å²	131.8	79%	0.791	70%	0.704	S	S	*	*			trans	-146.7	152.9	169.8	-93.6	0	0	0	0	111.6
203	L	26.6	Very low	31.2	Very low	174 Å²	174	135.2 Å²	135.2	91%	0.911	72%	0.716	S	S	*	*			trans	76.6	61.2	169	-51.3	177.3	0	0	0	120.1
204	S	26.4	Very low	30.6	Very low	110 Å²	110	132.2 Å²	132.2	77%	0.769	71%	0.712	S	S	*	*			trans	-171.3	114.8	132.8	58.8	0	0	0	0	109.1
205	S	24.9	Very low	30.1	Very low	108 Å²	108	137.3 Å²	137.3	76%	0.755	73%	0.734	S	S	*	*			cis	68.8	105.9	37.8	105	0	0	0	0	114.4
206	K	30.8	Very low	29.8	Very low	200 Å²	200	137.2 Å²	137.2	87%	0.87	74%	0.74	S	S	*	*			trans	72.3	151.4	163.7	-63.3	-175.6	178.6	178.9	0	118.8
207	E	27.1	Very low	29.3	Very low	162 Å²	162	142.6 Å²	142.6	76%	0.757	76%	0.759	S	S	*	*			trans	-54.8	152.3	177.7	-57.6	144.1	115.9	0	0	114.2
208	N	26.5	Very low	29.2	Very low	139 Å²	139	142.5 Å²	142.5	74%	0.743	76%	0.761	S	S	*	*			trans	51.9	106.3	151.9	-48.9	-22.1	0	0	0	118.1
209	D	30	Very low	29.1	Very low	142 Å²	142	147.9 Å²	147.9	76%	0.759	78%	0.784	S	S	*	*				-180	143.8	81.7	-101.8	-31.9	0	0	0	115.4
210	L	28.8	Very low	29.1	Very low	131 Å²	131	146.3 Å²	146.3	69%	0.686	78%	0.781	S	S	*	*			trans	34.2	115.1	143.2	-62.9	162.1	0	0	0	122.1
211	N	28.7	Very low	28.9	Very low	131 Å²	131	144.5 Å²	144.5	70%	0.701	78%	0.777	S	S	*	*			trans	52.8	112.9	131.2	-55.6	-17.6	0	0	0	120.6
212	N	32.4	Very low	29.1	Very low	169 Å²	169	147.8 Å²	147.8	90%	0.904	80%	0.795	S	S	*	*				-173.7	178.1	99.4	-96.9	-58.4	0	0	0	113.4
213	Q	30.9	Very low	29.4	Very low	182 Å²	182	147.7 Å²	147.7	85%	0.85	80%	0.796	S	S	*	*			trans	-113.7	-175.5	-161.1	-122.2	-159.4	-4.4	0	0	113.7
214	P	34	Very low	29.5	Very low	88 Å²	88	146.9 Å²	146.9	57%	0.571	79%	0.791	S	S	*	*				-128.7	-158	-127.3	43.7	-24	0	0	0	115.1
215	N	29	Very low	29.5	Very low	143 Å²	143	145 Å²	145	77%	0.765	78%	0.778	S	S	*	*			trans	110	118.4	160.6	-60.4	-53	0	0	0	117.3
216	N	32.8	Very low	29.8	Very low	170 Å²	170	144.6 Å²	144.6	91%	0.909	77%	0.772	S	S	*	*				-162.4	157.3	119.5	-108.7	-31.5	0	0	0	111.9
217	K	26.6	Very low	30	Very low	207 Å²	207	141.7 Å²	141.7	90%	0.9	77%	0.766	S	S	*	*			trans	-118.4	140.6	178.9	-78.1	-174.1	174.6	-174	0	111.7
218	S	31.9	Very low	30.2	Very low	109 Å²	109	141.7 Å²	141.7	76%	0.762	77%	0.768	S	S	*	*			trans	-157.1	96.4	157.4	52.5	0	0	0	0	107.8
219	Q	30	Very low	30.2	Very low	182 Å²	182	141 Å²	141	85%	0.85	76%	0.764	S	S	*	*				46.4	91.2	90.1	-84.2	-166.3	-40.1	0	0	114.2
220	V	29.9	Very low	30.1	Very low	135 Å²	135	137.6 Å²	137.6	82%	0.818	75%	0.749	S	S	*	*			trans	-131.1	118	139.1	179.3	0	0	0	0	105.8
221	N	27.8	Very low	30.4	Very low	146 Å²	146	136.8 Å²	136.8	78%	0.781	75%	0.746	S	S	*	*			trans	-99.9	135	162	-77.3	10.5	0	0	0	106.6
222	D	32.7	Very low	30.5	Very low	159 Å²	159	135.1 Å²	135.1	85%	0.85	73%	0.732	S	S	*	*			trans	-149.3	150	146.3	-102.3	-40.4	0	0	0	109.2
223	S	29.6	Very low	30.7	Very low	114 Å²	114	133.5 Å²	133.5	80%	0.797	72%	0.724	S	S	*	*			trans	-90.1	132.7	-160.8	55.2	0	0	0	0	114.2
224	I	28.8	Very low	31.3	Very low	158 Å²	158	127.9 Å²	127.9	81%	0.81	71%	0.705	S	S	*	*			trans	-117.2	136.1	159.6	-61.3	177.6	0	0	0	107.3
225	S	26.7	Very low	31.5	Very low	70 Å²	70	127.5 Å²	127.5	49%	0.49	70%	0.695	S	S	.	*			trans	-74.8	143.8	-179.6	-152.6	0	0	0	0	110.7	D227	S225-D227 PolarHBondContact O-N 2.78Å; S225-D227 PolarHBondContact OG-OD2 2.91Å
226	P	31.7	Very low	32.2	Very low	99 Å²	99	126.1 Å²	126.1	64%	0.643	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-58.3	-32.5	179.7	-25.9	35.8	0	0	0	114.1	M228 L229	P226-M228 PolarHBondContact O-N 3.05Å; P226-L229 PolarHBondContact O-N 3.3Å
227	D	33.9	Very low	32.9	Very low	139 Å²	139	120.3 Å²	120.3	74%	0.743	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-75.8	18.4	-169.9	-37.3	-80.2	0	0	0	114.9	S225	S225-D227 PolarHBondContact O-N 2.78Å; S225-D227 PolarHBondContact OG-OD2 2.91Å
228	M	30.7	Very low	33.7	Very low	162 Å²	162	118.2 Å²	118.2	80%	0.798	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-130.6	11.7	-179.8	-70.5	-72.7	-70.7	0	0	112.9	P226	P226-M228 PolarHBondContact O-N 3.05Å
229	L	28	Very low	34.3	Very low	126 Å²	126	114.6 Å²	114.6	66%	0.66	62%	0.621	S	S	*	*	S	Bend	trans	-80	132.9	169.1	-72.3	162.4	0	0	0	109.9	P226 F232	P226-L229 PolarHBondContact O-N 3.3Å; L229-F232 HydrophobicContact CD2-CE2 4.1Å
230	P	27.8	Very low	35.3	Very low	69 Å²	69	109.7 Å²	109.7	45%	0.448	60%	0.6	S	S	.	*			trans	-56.8	155.9	165.9	-25	34.7	0	0	0	112.3	F232	P230-F232 HydrophobicContact CB-CD2 4.48Å; P230-F232 HydrophobicContact CB-CE2 4.29Å; P230-F232 HydrophobicContact CB-CZ 4.38Å; P230-F232 HydrophobicContact CG-CE2 4.29Å; P230-F232 HydrophobicContact CG-CZ 4.18Å; P230-F232 WeakPolarHBondContact O-CD2 3.5Å; P230-F232 PolarHBondContact O-N 3.46Å
231	D	34.7	Very low	36.4	Very low	115 Å²	115	108 Å²	108	62%	0.615	59%	0.586	S	S	*	*			trans	-76.6	72.6	176.1	-168	1	0	0	0	110.3	D233 S234 E235	D231-D233 PolarHBondContact O-N 3.29Å; D231-S234 WeakPolarHBondContact O-CB 3.25Å; D231-S234 PolarHBondContact O-N 3.34Å; D231-S234 PolarHBondContact O-OG 3.06Å; D231-E235 PolarHBondContact O-N 2.91Å
232	F	31.2	Very low	37.5	Very low	95 Å²	95	104.4 Å²	104.4	42%	0.417	56%	0.562	S	S	.	*	H	α-helix	trans	-57.6	-33.1	-170.4	-77.5	-75.8	0	0	0	113.5	L229 P230 S234 E235 E236	L229-F232 HydrophobicContact CD2-CE2 4.1Å; P230-F232 HydrophobicContact CB-CD2 4.48Å; P230-F232 HydrophobicContact CB-CE2 4.29Å; P230-F232 HydrophobicContact CB-CZ 4.38Å; P230-F232 HydrophobicContact CG-CE2 4.29Å; P230-F232 HydrophobicContact CG-CZ 4.18Å; P230-F232 WeakPolarHBondContact O-CD2 3.5Å; P230-F232 PolarHBondContact O-N 3.46Å; F232-S234 PolarHBondContact O-N 3.08Å; F232-E235 PolarHBondContact O-N 3.41Å; F232-E236 WeakPolarHBondContact O-CB 3.32Å; F232-E236 PolarHBondContact O-N 2.95Å
233	D	36.1	Very low	38.2	Very low	135 Å²	135	98.4 Å²	98.4	72%	0.722	53%	0.53	S	S	*	.	H	α-helix	trans	-59.8	-32.2	176.7	-70.2	-4.8	0	0	0	111.3	D231 A237	D231-D233 PolarHBondContact O-N 3.29Å; D233-A237 VanDerWaalsContact O-CB 3.27Å; D233-A237 WeakPolarHBondContact O-CB 3.29Å; D233-A237 PolarHBondContact O-N 3.12Å; D233-A237 VanDerWaalsContact O-N 3.16Å
234	S	42.9	Very low	39.6	Very low	64 Å²	64	99 Å²	99	45%	0.448	52%	0.518	S	S	.	.	H	α-helix	trans	-78.3	-40.2	176.8	78.6	0	0	0	0	113.2	D231 F232 A237 Y238	D231-S234 WeakPolarHBondContact O-CB 3.25Å; D231-S234 PolarHBondContact O-N 3.34Å; D231-S234 PolarHBondContact O-OG 3.06Å; F232-S234 PolarHBondContact O-N 3.08Å; S234-A237 PolarHBondContact O-N 3.44Å; S234-Y238 PolarHBondContact O-N 3.33Å
235	E	39.1	Very low	40.8	Very low	80 Å²	80	93.4 Å²	93.4	37%	0.374	49%	0.488	S	S	.	.	H	α-helix	trans	-70	-40.4	175.7	-72.6	-162.1	-173.9	0	0	111.4	W190 D231 F232 Y238 V239	W190-E235 HydrophobicContact CZ2-CB 4.03Å; W190-E235 PolarHBondContact NE1-OE2 3.4Å; D231-E235 PolarHBondContact O-N 2.91Å; F232-E235 PolarHBondContact O-N 3.41Å; E235-Y238 WeakPolarHBondContact O-CB 3.42Å; E235-Y238 PolarHBondContact O-N 2.94Å; E235-V239 WeakPolarHBondContact O-CB 3.43Å; E235-V239 WeakPolarHBondContact O-CG2 3.49Å; E235-V239 PolarHBondContact O-N 3.39Å
236	E	43.4	Very low	41.7	Very low	115 Å²	115	91 Å²	91	54%	0.537	47%	0.47	S	S	.	.	H	α-helix	trans	-63.9	-41	174.8	177	166.3	179.8	0	0	111.1	F232 Y238 V239 N240	F232-E236 WeakPolarHBondContact O-CB 3.32Å; F232-E236 PolarHBondContact O-N 2.95Å; E236-Y238 VanDerWaalsContact C-N 3.33Å; E236-Y238 PolarHBondContact O-N 3.4Å; E236-V239 PolarHBondContact O-N 2.92Å; E236-N240 WeakPolarHBondContact CG-ND2 3.34Å; E236-N240 VanDerWaalsContact O-CB 3.25Å; E236-N240 WeakPolarHBondContact O-CB 3.28Å; E236-N240 PolarHBondContact O-N 2.8Å; E236-N240 PolarHBondContact O-ND2 2.63Å; E236-N240 VanDerWaalsContact O-ND2 3.13Å; E236-N240 PolarHBondContact OE1-ND2 3.42Å
237	A	46.8	Very low	42.8	Very low	48 Å²	48	91.2 Å²	91.2	40%	0.397	46%	0.462	S	S	.	.	H	α-helix	trans	-62.4	-38.7	173.7	0	0	0	0	0	112.4	D233 S234 N241	D233-A237 VanDerWaalsContact O-CB 3.27Å; D233-A237 WeakPolarHBondContact O-CB 3.29Å; D233-A237 PolarHBondContact O-N 3.12Å; D233-A237 VanDerWaalsContact O-N 3.16Å; S234-A237 PolarHBondContact O-N 3.44Å; A237-N241 WeakPolarHBondContact O-CB 3.05Å; A237-N241 PolarHBondContact O-N 2.69Å; A237-N241 PolarHBondContact O-ND2 3.43Å; A237-N241 VanDerWaalsContact O-ND2 3.15Å
238	Y	44.3	Very low	43.9	Very low	163 Å²	163	89.3 Å²	89.3	64%	0.639	45%	0.452	S	S	*	.	H	α-helix	trans	-65.1	-49.7	174.6	177.6	-98.1	0	0	0	112	S234 E235 E236 N241 R242	S234-Y238 PolarHBondContact O-N 3.33Å; E235-Y238 WeakPolarHBondContact O-CB 3.42Å; E235-Y238 PolarHBondContact O-N 2.94Å; E236-Y238 VanDerWaalsContact C-N 3.33Å; E236-Y238 PolarHBondContact O-N 3.4Å; Y238-N241 PolarHBondContact O-N 3.27Å; Y238-R242 PolarHBondContact O-N 3Å
239	V	44	Very low	44.9	Very low	32 Å²	32	86.1 Å²	86.1	19%	0.194	44%	0.435	C	S	.	.	H	α-helix	trans	-62.9	-44.9	179.6	169.6	0	0	0	0	111.1	W190 E235 E236 N241 R242 L243	W190-V239 HydrophobicContact CE3-CG2 4.35Å; W190-V239 HydrophobicContact CH2-CB 4.47Å; W190-V239 HydrophobicContact CH2-CG2 3.98Å; W190-V239 HydrophobicContact CZ2-CG2 4.16Å; W190-V239 HydrophobicContact CZ3-CB 4.47Å; W190-V239 HydrophobicContact CZ3-CG1 4.21Å; W190-V239 HydrophobicContact CZ3-CG2 4.08Å; E235-V239 WeakPolarHBondContact O-CB 3.43Å; E235-V239 WeakPolarHBondContact O-CG2 3.49Å; E235-V239 PolarHBondContact O-N 3.39Å; E236-V239 PolarHBondContact O-N 2.92Å; V239-N241 PolarHBondContact O-N 3.41Å; V239-R242 PolarHBondContact O-N 3.27Å; V239-L243 HydrophobicContact CG1-CD1 3.72Å; V239-L243 HydrophobicContact CG1-CG 4.37Å; V239-L243 WeakPolarHBondContact O-CB 3.34Å; V239-L243 WeakPolarHBondContact O-CD1 3.33Å; V239-L243 VanDerWaalsContact O-CG 3.27Å; V239-L243 WeakPolarHBondContact O-CG 3.21Å; V239-L243 PolarHBondContact O-N 3.31Å
240	N	50.3	Low	45.7	Very low	79 Å²	79	81.7 Å²	81.7	42%	0.422	41%	0.412	S	S	.	.	H	α-helix	trans	-63	-38.8	176.1	-81.8	-48.2	0	0	0	112.6	E236 K244	E236-N240 WeakPolarHBondContact CG-ND2 3.34Å; E236-N240 VanDerWaalsContact O-CB 3.25Å; E236-N240 WeakPolarHBondContact O-CB 3.28Å; E236-N240 PolarHBondContact O-N 2.8Å; E236-N240 PolarHBondContact O-ND2 2.63Å; E236-N240 VanDerWaalsContact O-ND2 3.13Å; E236-N240 PolarHBondContact OE1-ND2 3.42Å; N240-K244 VanDerWaalsContact O-CB 3.29Å; N240-K244 WeakPolarHBondContact O-CB 3.49Å; N240-K244 PolarHBondContact O-N 3.07Å; N240-K244 VanDerWaalsContact O-N 3.12Å
241	N	53.2	Low	47.1	Very low	99 Å²	99	85 Å²	85	53%	0.529	42%	0.419	S	S	.	.	H	α-helix	trans	-65.9	-45.7	173	-81.3	-36.1	0	0	0	111.8	A237 Y238 V239 L243 K244 E245	A237-N241 WeakPolarHBondContact O-CB 3.05Å; A237-N241 PolarHBondContact O-N 2.69Å; A237-N241 PolarHBondContact O-ND2 3.43Å; A237-N241 VanDerWaalsContact O-ND2 3.15Å; Y238-N241 PolarHBondContact O-N 3.27Å; V239-N241 PolarHBondContact O-N 3.41Å; N241-L243 PolarHBondContact O-N 3.45Å; N241-K244 WeakPolarHBondContact O-CB 3.4Å; N241-K244 PolarHBondContact O-N 2.67Å; N241-K244 VanDerWaalsContact O-N 3.12Å; N241-E245 PolarHBondContact O-N 2.83Å
242	R	52.6	Low	47.8	Very low	72 Å²	72	83.5 Å²	83.5	27%	0.272	42%	0.418	S	S	.	.	H	α-helix	trans	-67.3	-35.2	-179.1	-171.2	57.1	-176.7	141.3	11.5	112.7	Y238 V239 K244 E245 L246 E249	Y238-R242 PolarHBondContact O-N 3Å; V239-R242 PolarHBondContact O-N 3.27Å; R242-K244 VanDerWaalsContact C-N 3.34Å; R242-E245 WeakPolarHBondContact CD-OE2 3.39Å; R242-E245 IonicContact CZ-OE2 3.97Å; R242-E245 IonicContact NE-OE2 2.67Å; R242-E245 IonicContact NH1-OE2 2.69Å; R242-E245 PolarHBondContact NH1-OE2 3.28Å; R242-E245 PolarHBondContact O-N 2.87Å; R242-L246 WeakPolarHBondContact O-CG 3.2Å; R242-L246 PolarHBondContact O-N 3.33Å; R242-E249 IonicContact NH1-OE1 3.5Å; R242-E249 PolarHBondContact NH1-OE1 3.3Å; R242-E249 IonicContact NH2-OE1 3.59Å
243	L	46.7	Very low	48.5	Very low	33 Å²	33	83.6 Å²	83.6	17%	0.173	42%	0.419	C	S	.	.	H	α-helix	trans	-61.1	-42.8	169.8	-75.6	163	0	0	0	111.6	F26 V239 N241 L246 E247	F26-L243 HydrophobicContact CE1-CD1 4.35Å; F26-L243 HydrophobicContact CZ-CD1 3.88Å; F26-L243 HydrophobicContact CZ-CD2 4.26Å; V239-L243 HydrophobicContact CG1-CD1 3.72Å; V239-L243 HydrophobicContact CG1-CG 4.37Å; V239-L243 WeakPolarHBondContact O-CB 3.34Å; V239-L243 WeakPolarHBondContact O-CD1 3.33Å; V239-L243 VanDerWaalsContact O-CG 3.27Å; V239-L243 WeakPolarHBondContact O-CG 3.21Å; V239-L243 PolarHBondContact O-N 3.31Å; N241-L243 PolarHBondContact O-N 3.45Å; L243-L246 PolarHBondContact O-N 3.1Å; L243-E247 PolarHBondContact O-N 2.99Å
244	K	58.7	Low	49.2	Very low	127 Å²	127	82 Å²	82	55%	0.552	40%	0.403	S	S	*	.	H	α-helix	trans	-69.5	-30	178.9	-164.6	177.1	-173.5	179.3	0	112.9	N240 N241 R242 N248	N240-K244 VanDerWaalsContact O-CB 3.29Å; N240-K244 WeakPolarHBondContact O-CB 3.49Å; N240-K244 PolarHBondContact O-N 3.07Å; N240-K244 VanDerWaalsContact O-N 3.12Å; N241-K244 WeakPolarHBondContact O-CB 3.4Å; N241-K244 PolarHBondContact O-N 2.67Å; N241-K244 VanDerWaalsContact O-N 3.12Å; R242-K244 VanDerWaalsContact C-N 3.34Å; K244-N248 PolarHBondContact O-N 2.79Å; K244-N248 PolarHBondContact O-ND2 3.4Å
245	E	54	Low	49.7	Very low	39 Å²	39	83.2 Å²	83.2	18%	0.182	40%	0.401	C	S	.	.	H	α-helix	trans	-64.1	-50.9	166.5	-69.9	178.1	162.2	0	0	110.8	N241 R242 E247 N248 E249 T728	N241-E245 PolarHBondContact O-N 2.83Å; R242-E245 WeakPolarHBondContact CD-OE2 3.39Å; R242-E245 IonicContact CZ-OE2 3.97Å; R242-E245 IonicContact NE-OE2 2.67Å; R242-E245 IonicContact NH1-OE2 2.69Å; R242-E245 PolarHBondContact NH1-OE2 3.28Å; R242-E245 PolarHBondContact O-N 2.87Å; E245-E247 VanDerWaalsContact C-N 3.33Å; E245-E247 PolarHBondContact O-N 2.98Å; E245-N248 WeakPolarHBondContact O-CA 3.43Å; E245-N248 WeakPolarHBondContact O-CB 3.48Å; E245-N248 PolarHBondContact O-N 2.99Å; E245-E249 WeakPolarHBondContact O-CG 3.48Å; E245-E249 PolarHBondContact O-N 3.39Å; E245-T728 WeakPolarHBondContact OE1-CB 3.28Å; E245-T728 PolarHBondContact OE1-OG1 3Å; E245-T728 VanDerWaalsContact OE2-CB 3.29Å; E245-T728 WeakPolarHBondContact OE2-CB 3.3Å; E245-T728 PolarHBondContact OE2-OG1 3.39Å; E245-T728 VanDerWaalsContact OE2-OG1 3.09Å
246	L	45.7	Very low	49.9	Very low	19 Å²	19	83.9 Å²	83.9	10%	0.099	40%	0.404	C	S	.	.	H	α-helix	trans	-60.8	-36.8	179.1	-69.3	166.6	0	0	0	112.9	T183 R242 L243 N248 E249 M250	T183-L246 HydrophobicContact CG2-CD1 4.39Å; R242-L246 WeakPolarHBondContact O-CG 3.2Å; R242-L246 PolarHBondContact O-N 3.33Å; L243-L246 PolarHBondContact O-N 3.1Å; L246-N248 VanDerWaalsContact C-N 3.34Å; L246-E249 PolarHBondContact O-N 3.17Å; L246-M250 WeakPolarHBondContact O-CB 3.07Å; L246-M250 WeakPolarHBondContact O-CG 3.37Å; L246-M250 PolarHBondContact O-N 3.06Å
247	E	54.2	Low	50	Low	104 Å²	104	82.1 Å²	82.1	49%	0.486	40%	0.399	S	S	.	.	H	α-helix	trans	-61.6	-40.3	171.6	-76.3	-166.4	144.3	0	0	112.3	L243 E245 K251	L243-E247 PolarHBondContact O-N 2.99Å; E245-E247 VanDerWaalsContact C-N 3.33Å; E245-E247 PolarHBondContact O-N 2.98Å; E247-K251 VanDerWaalsContact O-CB 3.25Å; E247-K251 WeakPolarHBondContact O-CB 3.49Å; E247-K251 PolarHBondContact O-N 2.77Å
248	N	57	Low	50.1	Low	100 Å²	100	85.1 Å²	85.1	54%	0.535	40%	0.403	S	S	.	.	H	α-helix	trans	-71.9	-40.1	177.3	-74.3	-52.5	0	0	0	112	K244 E245 L246 K251 S252	K244-N248 PolarHBondContact O-N 2.79Å; K244-N248 PolarHBondContact O-ND2 3.4Å; E245-N248 WeakPolarHBondContact O-CA 3.43Å; E245-N248 WeakPolarHBondContact O-CB 3.48Å; E245-N248 PolarHBondContact O-N 2.99Å; L246-N248 VanDerWaalsContact C-N 3.34Å; N248-K251 PolarHBondContact O-N 3.36Å; N248-S252 PolarHBondContact O-N 2.89Å
249	E	53.1	Low	50.1	Low	95 Å²	95	85.5 Å²	85.5	44%	0.444	40%	0.403	S	S	.	.	H	α-helix	trans	-58	-52.6	172.5	-70.3	175.1	-154.3	0	0	110.5	R242 E245 L246 K251 S252 E253	R242-E249 IonicContact NH1-OE1 3.5Å; R242-E249 PolarHBondContact NH1-OE1 3.3Å; R242-E249 IonicContact NH2-OE1 3.59Å; E245-E249 WeakPolarHBondContact O-CG 3.48Å; E245-E249 PolarHBondContact O-N 3.39Å; L246-E249 PolarHBondContact O-N 3.17Å; E249-K251 VanDerWaalsContact C-N 3.31Å; E249-K251 PolarHBondContact O-N 2.84Å; E249-S252 WeakPolarHBondContact O-CB 3.46Å; E249-S252 PolarHBondContact O-N 2.88Å; E249-S252 VanDerWaalsContact O-N 3.13Å; E249-E253 WeakPolarHBondContact O-CG 3.38Å; E249-E253 PolarHBondContact O-N 3.33Å
250	M	44.4	Very low	50	Low	32 Å²	32	86.5 Å²	86.5	16%	0.158	41%	0.406	C	S	.	.	H	α-helix	trans	-59.9	-37.7	176.2	-75.7	-168.4	-65.1	0	0	113.2	Y180 L246 S252 E253 R254	Y180-M250 PolarHBondContact OH-SD 2.89Å; L246-M250 WeakPolarHBondContact O-CB 3.07Å; L246-M250 WeakPolarHBondContact O-CG 3.37Å; L246-M250 PolarHBondContact O-N 3.06Å; M250-S252 VanDerWaalsContact C-N 3.34Å; M250-E253 PolarHBondContact O-N 3.47Å; M250-R254 WeakPolarHBondContact O-CB 3.23Å; M250-R254 WeakPolarHBondContact O-CG 3.24Å; M250-R254 PolarHBondContact O-N 3.07Å
251	K	58	Low	49.5	Very low	140 Å²	140	88 Å²	88	61%	0.609	41%	0.411	S	S	*	.	H	α-helix	trans	-66.9	-37.7	177.3	-172	179.6	179.2	-172.5	0	111.4	E247 N248 E249 E255	E247-K251 VanDerWaalsContact O-CB 3.25Å; E247-K251 WeakPolarHBondContact O-CB 3.49Å; E247-K251 PolarHBondContact O-N 2.77Å; N248-K251 PolarHBondContact O-N 3.36Å; E249-K251 VanDerWaalsContact C-N 3.31Å; E249-K251 PolarHBondContact O-N 2.84Å; K251-E255 PolarHBondContact O-N 3.33Å
252	S	49	Very low	49.1	Very low	83 Å²	83	88.3 Å²	88.3	58%	0.58	41%	0.409	S	S	*	.	H	α-helix	trans	-63	-47.5	172.5	-159.3	0	0	0	0	111.2	N248 E249 M250 R254 E255 H256	N248-S252 PolarHBondContact O-N 2.89Å; E249-S252 WeakPolarHBondContact O-CB 3.46Å; E249-S252 PolarHBondContact O-N 2.88Å; E249-S252 VanDerWaalsContact O-N 3.13Å; M250-S252 VanDerWaalsContact C-N 3.34Å; S252-R254 PolarHBondContact O-N 2.92Å; S252-E255 PolarHBondContact O-N 2.99Å; S252-H256 PolarHBondContact O-N 3.22Å
253	E	46.1	Very low	48.5	Very low	96 Å²	96	88.6 Å²	88.6	45%	0.449	42%	0.415	S	S	.	.	H	α-helix	trans	-64.6	-39.1	179	-58.3	-118	131.3	0	0	112.2	K176 E249 M250 E255 H256 L257	K176-E253 IonicContact NZ-OE1 2.69Å; K176-E253 PolarHBondContact NZ-OE1 2.82Å; K176-E253 IonicContact NZ-OE2 2.58Å; K176-E253 PolarHBondContact NZ-OE2 3.31Å; E249-E253 WeakPolarHBondContact O-CG 3.38Å; E249-E253 PolarHBondContact O-N 3.33Å; M250-E253 PolarHBondContact O-N 3.47Å; E253-E255 VanDerWaalsContact C-N 3.33Å; E253-E255 PolarHBondContact O-N 2.82Å; E253-H256 PolarHBondContact O-N 2.76Å; E253-H256 VanDerWaalsContact O-N 3.15Å; E253-L257 WeakPolarHBondContact O-CB 3.27Å; E253-L257 WeakPolarHBondContact O-CG 3.46Å; E253-L257 PolarHBondContact O-N 2.83Å
254	R	49.4	Very low	47.9	Very low	103 Å²	103	90.2 Å²	90.2	39%	0.389	42%	0.421	S	S	.	.	H	α-helix	trans	-62.1	-37.8	174.7	-75.8	-176.3	-172.1	-131.8	-0.5	112.3	E36 M250 S252 K258	E36-R254 IonicContact OE2-CZ 2.64Å; E36-R254 IonicContact OE2-NH1 3.64Å; E36-R254 PolarHBondContact OE2-NH1 3.41Å; E36-R254 IonicContact OE2-NH2 2.7Å; E36-R254 PolarHBondContact OE2-NH2 3.25Å; M250-R254 WeakPolarHBondContact O-CB 3.23Å; M250-R254 WeakPolarHBondContact O-CG 3.24Å; M250-R254 PolarHBondContact O-N 3.07Å; S252-R254 PolarHBondContact O-N 2.92Å; R254-K258 VanDerWaalsContact O-CG 3.25Å; R254-K258 WeakPolarHBondContact O-CG 3.2Å; R254-K258 PolarHBondContact O-N 3.17Å; R254-K258 VanDerWaalsContact O-N 3.1Å
255	E	53.2	Low	47.1	Very low	88 Å²	88	89.8 Å²	89.8	41%	0.411	43%	0.425	S	S	.	.	H	α-helix	trans	-72	-34.3	172.3	-67.1	-53.5	136.4	0	0	112.5	K251 S252 E253 K258 R259	K251-E255 PolarHBondContact O-N 3.33Å; S252-E255 PolarHBondContact O-N 2.99Å; E253-E255 VanDerWaalsContact C-N 3.33Å; E253-E255 PolarHBondContact O-N 2.82Å; E255-K258 PolarHBondContact O-N 3.19Å; E255-K258 IonicContact OE1-NZ 2.75Å; E255-K258 PolarHBondContact OE1-NZ 3.49Å; E255-K258 IonicContact OE2-NZ 3.19Å; E255-R259 WeakPolarHBondContact O-CG 3.45Å; E255-R259 PolarHBondContact O-N 3.47Å
256	H	45.2	Very low	46.3	Very low	94 Å²	94	91.4 Å²	91.4	44%	0.435	43%	0.432	S	S	.	.	H	α-helix	trans	-65.3	-45.2	175.1	-151.4	-96.7	0	0	0	111.8	S252 E253 R259 I260	S252-H256 PolarHBondContact O-N 3.22Å; E253-H256 PolarHBondContact O-N 2.76Å; E253-H256 VanDerWaalsContact O-N 3.15Å; H256-R259 WeakPolarHBondContact O-CB 3.33Å; H256-R259 PolarHBondContact O-N 2.91Å; H256-I260 WeakPolarHBondContact O-CG1 3.41Å; H256-I260 PolarHBondContact O-N 2.96Å
257	L	44	Very low	45.8	Very low	79 Å²	79	94.5 Å²	94.5	41%	0.414	46%	0.456	S	S	.	.	H	α-helix	trans	-62.1	-41	174.1	-77.8	163.9	0	0	0	112.3	E253 I260 Q261	E253-L257 WeakPolarHBondContact O-CB 3.27Å; E253-L257 WeakPolarHBondContact O-CG 3.46Å; E253-L257 PolarHBondContact O-N 2.83Å; L257-I260 PolarHBondContact O-N 2.77Å; L257-Q261 WeakPolarHBondContact O-CB 3.4Å; L257-Q261 WeakPolarHBondContact O-CG 3.13Å; L257-Q261 PolarHBondContact O-N 3.31Å
258	K	49.9	Very low	44.8	Very low	111 Å²	111	97.6 Å²	97.6	48%	0.483	47%	0.468	S	S	.	.	H	α-helix	trans	-60.2	-44.1	171.8	-75.8	170.3	-172.4	175.9	0	112	R254 E255 Q261 Q262	R254-K258 VanDerWaalsContact O-CG 3.25Å; R254-K258 WeakPolarHBondContact O-CG 3.2Å; R254-K258 PolarHBondContact O-N 3.17Å; R254-K258 VanDerWaalsContact O-N 3.1Å; E255-K258 PolarHBondContact O-N 3.19Å; E255-K258 IonicContact OE1-NZ 2.75Å; E255-K258 PolarHBondContact OE1-NZ 3.49Å; E255-K258 IonicContact OE2-NZ 3.19Å; K258-Q261 PolarHBondContact O-N 3.12Å; K258-Q262 WeakPolarHBondContact O-CB 3.36Å; K258-Q262 PolarHBondContact O-N 2.94Å
259	R	43.4	Very low	43.6	Very low	170 Å²	170	97.9 Å²	97.9	64%	0.642	47%	0.473	S	S	*	.	H	α-helix	trans	-62.2	-43	176.7	-73.9	173.8	178.9	-162.4	-1.5	111.4	E255 H256 Q262 I263	E255-R259 WeakPolarHBondContact O-CG 3.45Å; E255-R259 PolarHBondContact O-N 3.47Å; H256-R259 WeakPolarHBondContact O-CB 3.33Å; H256-R259 PolarHBondContact O-N 2.91Å; R259-Q262 PolarHBondContact O-N 3.5Å; R259-I263 WeakPolarHBondContact O-CD1 3.33Å; R259-I263 VanDerWaalsContact O-CG1 3.29Å; R259-I263 WeakPolarHBondContact O-CG1 3.4Å; R259-I263 PolarHBondContact O-N 2.81Å
260	I	41.6	Very low	42.4	Very low	53 Å²	53	97.7 Å²	97.7	27%	0.272	48%	0.478	S	S	.	.	H	α-helix	trans	-60.8	-46.7	174	-68.5	165.4	0	0	0	110.7	H256 L257 Q262 I263 K264	H256-I260 WeakPolarHBondContact O-CG1 3.41Å; H256-I260 PolarHBondContact O-N 2.96Å; L257-I260 PolarHBondContact O-N 2.77Å; I260-Q262 VanDerWaalsContact C-N 3.35Å; I260-Q262 PolarHBondContact O-N 2.82Å; I260-I263 PolarHBondContact O-N 2.75Å; I260-K264 VanDerWaalsContact O-CB 3.25Å; I260-K264 WeakPolarHBondContact O-CB 3.21Å; I260-K264 PolarHBondContact O-N 3.36Å
261	Q	40.9	Very low	41.6	Very low	111 Å²	111	105.4 Å²	105.4	52%	0.519	51%	0.514	S	S	.	.	H	α-helix	trans	-62.9	-37.2	175.7	-74.9	-177.1	-13.8	0	0	112.9	L257 K258 K264 N265	L257-Q261 WeakPolarHBondContact O-CB 3.4Å; L257-Q261 WeakPolarHBondContact O-CG 3.13Å; L257-Q261 PolarHBondContact O-N 3.31Å; K258-Q261 PolarHBondContact O-N 3.12Å; Q261-K264 PolarHBondContact O-N 3.46Å; Q261-N265 PolarHBondContact O-N 2.89Å; Q261-N265 PolarHBondContact O-ND2 3.1Å; Q261-N265 VanDerWaalsContact O-ND2 3.16Å
262	Q	44.5	Very low	40.2	Very low	106 Å²	106	102.6 Å²	102.6	50%	0.495	51%	0.512	S	S	.	.	H	α-helix	trans	-64.9	-50	175.5	-178.7	172.8	-7.4	0	0	111.2	K258 R259 I260 K264 N265 E266	K258-Q262 WeakPolarHBondContact O-CB 3.36Å; K258-Q262 PolarHBondContact O-N 2.94Å; R259-Q262 PolarHBondContact O-N 3.5Å; I260-Q262 VanDerWaalsContact C-N 3.35Å; I260-Q262 PolarHBondContact O-N 2.82Å; Q262-K264 PolarHBondContact O-N 3.41Å; Q262-N265 PolarHBondContact O-N 2.94Å; Q262-E266 HydrophobicContact CG-CG 4.37Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.33Å; Q262-E266 PolarHBondContact NE2-OE1 3.39Å; Q262-E266 WeakPolarHBondContact O-CG 3.4Å; Q262-E266 PolarHBondContact O-N 2.72Å
263	I	40.1	Very low	39.1	Very low	78 Å²	78	106.1 Å²	106.1	40%	0.4	52%	0.524	S	S	.	.	H	α-helix	trans	-56.6	-41.1	175.9	-68.1	162.9	0	0	0	110.6	L67 R259 I260 N265 E266 S267	L67-I263 HydrophobicContact CD1-CD1 4.19Å; R259-I263 WeakPolarHBondContact O-CD1 3.33Å; R259-I263 VanDerWaalsContact O-CG1 3.29Å; R259-I263 WeakPolarHBondContact O-CG1 3.4Å; R259-I263 PolarHBondContact O-N 2.81Å; I260-I263 PolarHBondContact O-N 2.75Å; I263-N265 VanDerWaalsContact C-N 3.35Å; I263-N265 PolarHBondContact O-N 3.45Å; I263-E266 PolarHBondContact O-N 2.82Å; I263-S267 WeakPolarHBondContact O-CB 3.5Å; I263-S267 PolarHBondContact O-N 2.96Å; I263-S267 PolarHBondContact O-OG 3.19Å; I263-S267 VanDerWaalsContact O-OG 3.08Å
264	K	34.7	Very low	38.3	Very low	67 Å²	67	110.7 Å²	110.7	29%	0.291	54%	0.539	S	S	.	.	H	α-helix	trans	-65.3	-31.8	177.6	-165.1	169.9	-166.8	160	0	113.6	E48 I260 Q261 Q262 S267 F268	E48-K264 VanDerWaalsContact CD-NZ 3.28Å; E48-K264 IonicContact OE1-NZ 2.64Å; E48-K264 PolarHBondContact OE1-NZ 3.47Å; E48-K264 IonicContact OE2-NZ 3.83Å; E48-K264 PolarHBondContact OE2-NZ 3.15Å; I260-K264 VanDerWaalsContact O-CB 3.25Å; I260-K264 WeakPolarHBondContact O-CB 3.21Å; I260-K264 PolarHBondContact O-N 3.36Å; Q261-K264 PolarHBondContact O-N 3.46Å; Q262-K264 PolarHBondContact O-N 3.41Å; K264-S267 PolarHBondContact O-OG 2.9Å; K264-F268 VanDerWaalsContact O-CD2 3.3Å; K264-F268 WeakPolarHBondContact O-CD2 3.07Å
265	N	41.5	Very low	37.4	Very low	118 Å²	118	109.7 Å²	109.7	63%	0.631	54%	0.538	S	S	*	.	H	α-helix	trans	-79.1	-39.2	173.9	-72	-34.7	0	0	0	112	Q261 Q262 I263	Q261-N265 PolarHBondContact O-N 2.89Å; Q261-N265 PolarHBondContact O-ND2 3.1Å; Q261-N265 VanDerWaalsContact O-ND2 3.16Å; Q262-N265 PolarHBondContact O-N 2.94Å; I263-N265 VanDerWaalsContact C-N 3.35Å; I263-N265 PolarHBondContact O-N 3.45Å
266	E	37.6	Very low	36.3	Very low	73 Å²	73	112 Å²	112	34%	0.341	55%	0.553	S	S	.	*	H	α-helix	trans	-72.6	-32.9	-178.3	-70.7	171.5	173.5	0	0	112.2	Q262 I263 F268 T269 W279	Q262-E266 HydrophobicContact CG-CG 4.37Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.33Å; Q262-E266 PolarHBondContact NE2-OE1 3.39Å; Q262-E266 WeakPolarHBondContact O-CG 3.4Å; Q262-E266 PolarHBondContact O-N 2.72Å; I263-E266 PolarHBondContact O-N 2.82Å; E266-F268 VanDerWaalsContact C-N 3.32Å; E266-F268 PolarHBondContact O-N 3.06Å; E266-T269 PolarHBondContact O-OG1 2.93Å; E266-W279 HydrophobicContact CB-CH2 3.96Å; E266-W279 HydrophobicContact CB-CZ2 4.17Å; E266-W279 VanDerWaalsContact OE2-CH2 3.28Å; E266-W279 WeakPolarHBondContact OE2-CH2 3.48Å
267	S	34.5	Very low	35.6	Very low	84 Å²	84	115 Å²	115	59%	0.587	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-20.7	178.7	62.3	0	0	0	0	114.8	I263 K264	I263-S267 WeakPolarHBondContact O-CB 3.5Å; I263-S267 PolarHBondContact O-N 2.96Å; I263-S267 PolarHBondContact O-OG 3.19Å; I263-S267 VanDerWaalsContact O-OG 3.08Å; K264-S267 PolarHBondContact O-OG 2.9Å
268	F	32.5	Very low	34.9	Very low	169 Å²	169	119 Å²	119	74%	0.741	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-2.6	-172.1	-100.3	-97	0	0	0	115.6	K264 E266	K264-F268 VanDerWaalsContact O-CD2 3.3Å; K264-F268 WeakPolarHBondContact O-CD2 3.07Å; E266-F268 VanDerWaalsContact C-N 3.32Å; E266-F268 PolarHBondContact O-N 3.06Å
269	T	31.2	Very low	33.7	Very low	106 Å²	106	120.3 Å²	120.3	65%	0.65	58%	0.578	S	S	*	*	S	Bend	trans	-116.4	-9.6	-162.2	54.9	0	0	0	0	117.7	E266	E266-T269 PolarHBondContact O-OG1 2.93Å
270	V	28.6	Very low	33	Very low	91 Å²	91	120.8 Å²	120.8	55%	0.552	58%	0.58	S	S	*	*			trans	-125.8	88.7	-169.7	-169.4	0	0	0	0	114.8	S272	V270-S272 PolarHBondContact O-N 2.93Å
271	H	28.1	Very low	32.5	Very low	194 Å²	194	121 Å²	121	90%	0.898	59%	0.586	S	S	*	*			trans	-73.3	97.9	150.8	-94.6	51.6	0	0	0	109.7
272	S	29.2	Very low	31.9	Very low	81 Å²	81	121 Å²	121	57%	0.566	59%	0.589	S	S	*	*			trans	175.2	139.5	150.1	41.9	0	0	0	0	113.7	V270 Y274	V270-S272 PolarHBondContact O-N 2.93Å; S272-Y274 PolarHBondContact O-N 3.11Å
273	N	25.1	Very low	31.4	Very low	157 Å²	157	122.3 Å²	122.3	84%	0.84	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	52	-177.3	-67.7	-52.3	0	0	0	114
274	Y	29.3	Very low	31.1	Very low	192 Å²	192	122.2 Å²	122.2	75%	0.753	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.7	11.1	-176.2	-121.8	-88.1	0	0	0	117.2	S272	S272-Y274 PolarHBondContact O-N 3.11Å
275	Q	30.6	Very low	31	Very low	82 Å²	82	123.1 Å²	123.1	38%	0.383	61%	0.606	S	S	.	*			trans	-121.8	1	179.8	-66.5	-62.6	-49.1	0	0	115.4	H277 R278	Q275-H277 PolarHBondContact O-N 2.93Å; Q275-H277 VanDerWaalsContact O-N 3.15Å; Q275-R278 WeakPolarHBondContact O-CB 3.36Å; Q275-R278 PolarHBondContact O-N 3.04Å
276	L	29	Very low	30.5	Very low	136 Å²	136	125 Å²	125	71%	0.712	61%	0.612	S	S	*	*	H	α-helix	trans	-61.8	-25.1	-179.3	-133.2	159.3	0	0	0	112.9	R278	L276-R278 VanDerWaalsContact C-N 3.33Å; L276-R278 PolarHBondContact O-N 3.27Å
277	H	31	Very low	30.4	Very low	158 Å²	158	126.6 Å²	126.6	73%	0.731	62%	0.619	S	S	*	*	H	α-helix	trans	-69.9	-23.4	171.8	-107.7	-78.7	0	0	0	114.6	Q275 S281	Q275-H277 PolarHBondContact O-N 2.93Å; Q275-H277 VanDerWaalsContact O-N 3.15Å; H277-S281 PolarHBondContact O-OG 2.84Å; H277-S281 VanDerWaalsContact O-OG 3.09Å
278	R	28.9	Very low	30.2	Very low	162 Å²	162	127 Å²	127	61%	0.611	61%	0.613	S	S	*	*	H	α-helix	trans	-87.8	-30.1	-172.5	-162.8	173.1	-174.9	178.8	-0.1	113.1	Q275 L276 S281 L282	Q275-R278 WeakPolarHBondContact O-CB 3.36Å; Q275-R278 PolarHBondContact O-N 3.04Å; L276-R278 VanDerWaalsContact C-N 3.33Å; L276-R278 PolarHBondContact O-N 3.27Å; R278-S281 VanDerWaalsContact O-CB 3.28Å; R278-S281 WeakPolarHBondContact O-CB 3.44Å; R278-S281 PolarHBondContact O-N 3.31Å; R278-L282 PolarHBondContact O-N 2.94Å
279	W	25.7	Very low	30.1	Very low	139 Å²	139	124.1 Å²	124.1	53%	0.527	61%	0.606	S	S	.	*	H	α-helix	trans	-65.6	-39.8	171	-78.2	77.8	0	0	0	111.8	E266 S281 L282	E266-W279 HydrophobicContact CB-CH2 3.96Å; E266-W279 HydrophobicContact CB-CZ2 4.17Å; E266-W279 VanDerWaalsContact OE2-CH2 3.28Å; E266-W279 WeakPolarHBondContact OE2-CH2 3.48Å; W279-S281 PolarHBondContact O-N 3.31Å; W279-L282 PolarHBondContact O-N 3.23Å
280	R	28.6	Very low	30.2	Very low	179 Å²	179	124 Å²	124	68%	0.675	60%	0.6	S	S	*	*	H	α-helix	trans	-62	-16.7	168.1	-76.1	-178.1	168	172.2	-4.7	114.1	N284	R280-N284 PolarHBondContact O-OD1 2.91Å
281	S	30.5	Very low	30.3	Very low	58 Å²	58	123.2 Å²	123.2	41%	0.406	60%	0.596	S	S	.	*	H	α-helix	trans	-84.8	-36.5	173.9	-45	0	0	0	0	112.5	H277 R278 W279 N284 I285	H277-S281 PolarHBondContact O-OG 2.84Å; H277-S281 VanDerWaalsContact O-OG 3.09Å; R278-S281 VanDerWaalsContact O-CB 3.28Å; R278-S281 WeakPolarHBondContact O-CB 3.44Å; R278-S281 PolarHBondContact O-N 3.31Å; W279-S281 PolarHBondContact O-N 3.31Å; S281-N284 PolarHBondContact O-N 2.83Å; S281-I285 WeakPolarHBondContact O-CD1 3.38Å; S281-I285 VanDerWaalsContact O-CG1 3.28Å; S281-I285 WeakPolarHBondContact O-CG1 3.4Å; S281-I285 PolarHBondContact O-N 3.34Å
282	L	29.2	Very low	30.4	Very low	111 Å²	111	118.6 Å²	118.6	58%	0.581	58%	0.582	S	S	*	*	H	α-helix	trans	-74.4	-43	-172.3	-76.4	164.5	0	0	0	113	R278 W279 N284 I285	R278-L282 PolarHBondContact O-N 2.94Å; W279-L282 PolarHBondContact O-N 3.23Å; L282-N284 PolarHBondContact O-N 3.29Å; L282-I285 HydrophobicContact CD2-CD1 4.37Å; L282-I285 PolarHBondContact O-N 3.41Å
283	L	33.4	Very low	30.4	Very low	134 Å²	134	124.1 Å²	124.1	70%	0.702	59%	0.59	S	S	*	*	H	α-helix	trans	-62.8	-28.7	172.1	-82.7	124.3	0	0	0	112.9
284	N	34.4	Very low	30.7	Very low	76 Å²	76	122.6 Å²	122.6	41%	0.406	57%	0.573	S	S	.	*	H	α-helix	trans	-80.8	-13.6	177.9	-74.3	32.2	0	0	0	113.5	R280 S281 L282 Q287 I288	R280-N284 PolarHBondContact O-OD1 2.91Å; S281-N284 PolarHBondContact O-N 2.83Å; L282-N284 PolarHBondContact O-N 3.29Å; N284-Q287 PolarHBondContact O-N 2.83Å; N284-I288 HydrophobicContact CB-CD1 4.2Å; N284-I288 WeakPolarHBondContact O-CB 3.37Å; N284-I288 WeakPolarHBondContact O-CD1 3.47Å; N284-I288 WeakPolarHBondContact O-CG1 3.35Å; N284-I288 PolarHBondContact O-N 3.32Å
285	I	31.6	Very low	30.7	Very low	85 Å²	85	122.1 Å²	122.1	44%	0.436	58%	0.576	S	S	.	*	H	α-helix	trans	-74.5	-27.8	-174.6	-83.2	162.3	0	0	0	113.1	S281 L282 N289	S281-I285 WeakPolarHBondContact O-CD1 3.38Å; S281-I285 VanDerWaalsContact O-CG1 3.28Å; S281-I285 WeakPolarHBondContact O-CG1 3.4Å; S281-I285 PolarHBondContact O-N 3.34Å; L282-I285 HydrophobicContact CD2-CD1 4.37Å; L282-I285 PolarHBondContact O-N 3.41Å; I285-N289 PolarHBondContact O-N 3Å; I285-N289 PolarHBondContact O-ND2 2.95Å
286	E	30.5	Very low	30.7	Very low	159 Å²	159	125.5 Å²	125.5	74%	0.743	59%	0.591	S	S	*	*	H	α-helix	trans	-74.5	-42.1	168.6	-68	-169.3	130.5	0	0	111.3	I288 N289 L290	E286-I288 PolarHBondContact O-N 3.19Å; E286-N289 PolarHBondContact O-N 2.97Å; E286-L290 PolarHBondContact O-N 3.15Å
287	Q	36	Very low	30.8	Very low	105 Å²	105	126.7 Å²	126.7	49%	0.491	60%	0.598	S	S	.	*	H	α-helix	trans	-62.3	-38.6	175.1	-74.8	-170.7	-22.2	0	0	113.2	N284 N289 L290 T291	N284-Q287 PolarHBondContact O-N 2.83Å; Q287-N289 VanDerWaalsContact C-N 3.32Å; Q287-N289 PolarHBondContact O-N 3.42Å; Q287-L290 WeakPolarHBondContact O-CA 3.5Å; Q287-L290 WeakPolarHBondContact O-CB 3.48Å; Q287-L290 PolarHBondContact O-N 3.34Å; Q287-T291 PolarHBondContact O-N 3.48Å; Q287-T291 PolarHBondContact O-OG1 3.36Å
288	I	31.1	Very low	30.7	Very low	92 Å²	92	127.1 Å²	127.1	47%	0.472	60%	0.601	S	S	.	*	H	α-helix	trans	-64.7	-35	178.1	-74.4	163.9	0	0	0	111.7	N284 E286 L290 T291 T292	N284-I288 HydrophobicContact CB-CD1 4.2Å; N284-I288 WeakPolarHBondContact O-CB 3.37Å; N284-I288 WeakPolarHBondContact O-CD1 3.47Å; N284-I288 WeakPolarHBondContact O-CG1 3.35Å; N284-I288 PolarHBondContact O-N 3.32Å; E286-I288 PolarHBondContact O-N 3.19Å; I288-L290 PolarHBondContact O-N 2.78Å; I288-T291 WeakPolarHBondContact CA-OG1 3.5Å; I288-T292 WeakPolarHBondContact O-CB 3.44Å; I288-T292 PolarHBondContact O-N 3.31Å; I288-T292 VanDerWaalsContact O-N 3.12Å; I288-T292 PolarHBondContact O-OG1 2.82Å
289	N	30.2	Very low	30.6	Very low	109 Å²	109	129.6 Å²	129.6	58%	0.583	61%	0.612	S	S	*	*	H	α-helix	trans	-70.1	-17.5	173.2	-81.6	-59.9	0	0	0	113.5	I285 E286 Q287	I285-N289 PolarHBondContact O-N 3Å; I285-N289 PolarHBondContact O-ND2 2.95Å; E286-N289 PolarHBondContact O-N 2.97Å; Q287-N289 VanDerWaalsContact C-N 3.32Å; Q287-N289 PolarHBondContact O-N 3.42Å
290	L	33.6	Very low	30.6	Very low	103 Å²	103	133.4 Å²	133.4	54%	0.539	63%	0.632	S	S	.	*	H	α-helix	trans	-91.3	-44.9	173.3	-67.8	166.1	0	0	0	111.8	E286 Q287 I288 T292 R293	E286-L290 PolarHBondContact O-N 3.15Å; Q287-L290 WeakPolarHBondContact O-CA 3.5Å; Q287-L290 WeakPolarHBondContact O-CB 3.48Å; Q287-L290 PolarHBondContact O-N 3.34Å; I288-L290 PolarHBondContact O-N 2.78Å; L290-T292 VanDerWaalsContact C-N 3.26Å; L290-T292 PolarHBondContact O-N 3.19Å; L290-R293 PolarHBondContact O-N 3.46Å
291	T	30.6	Very low	30.6	Very low	75 Å²	75	132.2 Å²	132.2	46%	0.46	64%	0.637	S	S	.	*	H	α-helix	trans	-63.4	-31.1	177.6	14.4	0	0	0	0	112.8	Q287 I288 R293 Y294	Q287-T291 PolarHBondContact O-N 3.48Å; Q287-T291 PolarHBondContact O-OG1 3.36Å; I288-T291 WeakPolarHBondContact CA-OG1 3.5Å; T291-R293 PolarHBondContact O-N 2.91Å; T291-R293 VanDerWaalsContact O-N 3.12Å; T291-Y294 PolarHBondContact O-N 2.92Å
292	T	29.1	Very low	30.3	Very low	98 Å²	98	140.8 Å²	140.8	60%	0.601	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-9.6	176.7	-50.1	0	0	0	0	113	I288 L290	I288-T292 WeakPolarHBondContact O-CB 3.44Å; I288-T292 PolarHBondContact O-N 3.31Å; I288-T292 VanDerWaalsContact O-N 3.12Å; I288-T292 PolarHBondContact O-OG1 2.82Å; L290-T292 VanDerWaalsContact C-N 3.26Å; L290-T292 PolarHBondContact O-N 3.19Å
293	R	30.1	Very low	30.1	Very low	196 Å²	196	141.3 Å²	141.3	74%	0.74	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-14.9	171.2	-64.4	-175.4	-179.3	171.9	2.3	114	L290 T291	L290-R293 PolarHBondContact O-N 3.46Å; T291-R293 PolarHBondContact O-N 2.91Å; T291-R293 VanDerWaalsContact O-N 3.12Å
294	Y	30.3	Very low	30	Very low	125 Å²	125	144.6 Å²	144.6	49%	0.49	68%	0.682	S	S	.	*	S	Bend	trans	-91	-5.3	-174.5	-112.6	-100.7	0	0	0	114.6	T291 Y710 Q711	T291-Y294 PolarHBondContact O-N 2.92Å; Y294-Y710 AromaticContact CE2-CE1 3.96Å; Y294-Y710 HydrophobicContact CE2-CE1 3.96Å; Y294-Y710 WeakPolarHBondContact CE2-OH 3.38Å; Y294-Y710 WeakPolarHBondContact OH-CE1 3.41Å; Y294-Q711 PolarHBondContact OH-NE2 3.41Å; Y294-Q711 VanDerWaalsContact OH-NE2 3.08Å
295	F	31.1	Very low	29.7	Very low	182 Å²	182	146.5 Å²	146.5	80%	0.798	70%	0.702	S	S	*	*	S	Bend	trans	-111.9	25	-172.7	-94.2	-79.5	0	0	0	113.9
296	H	30.2	Very low	29.6	Very low	154 Å²	154	146.7 Å²	146.7	71%	0.713	72%	0.716	S	S	*	*	S	Bend	trans	-129.2	-9	-165.3	-125.6	-43.6	0	0	0	118.6
297	D	29.8	Very low	29.3	Very low	161 Å²	161	145.4 Å²	145.4	86%	0.861	72%	0.719	S	S	*	*	S	Bend	trans	-103	-4.5	-177.2	-77.4	-54.4	0	0	0	115.2
298	E	28.8	Very low	29	Very low	167 Å²	167	149.5 Å²	149.5	78%	0.78	74%	0.738	S	S	*	*	S	Bend	trans	-103.8	148.7	160.6	-65.2	-162.3	133.2	0	0	110.7
299	Y	28.8	Very low	28.7	Very low	214 Å²	214	155.9 Å²	155.9	84%	0.839	76%	0.756	S	S	*	*	S	Bend	trans	65.8	92.6	-172.2	-64.9	-84.7	0	0	0	117.3	I301	Y299-I301 PolarHBondContact O-N 3.25Å
300	K	24.4	Very low	28.7	Very low	219 Å²	219	159 Å²	159	95%	0.952	77%	0.767	S	S	*	*			trans	-67.2	95.4	169.1	-67.7	170.4	-180	162.7	0	112.7
301	I	28	Very low	28.4	Very low	153 Å²	153	158 Å²	158	79%	0.785	77%	0.768	S	S	*	*			trans	-128.8	135.3	163.9	-56.6	-177.2	0	0	0	110.4	Y299	Y299-I301 PolarHBondContact O-N 3.25Å
302	R	25.4	Very low	28.2	Very low	238 Å²	238	161.4 Å²	161.4	90%	0.898	78%	0.784	S	S	*	*			trans	-79.5	135.3	-176.5	-67.6	177.6	175.5	171.4	-2.1	112
303	P	25.4	Very low	28.2	Very low	122 Å²	122	162.3 Å²	162.3	79%	0.792	79%	0.794	S	S	*	*			trans	-80.4	145.6	166.5	32.5	-33.4	0	0	0	112.3
304	Q	30.5	Very low	28.1	Very low	203 Å²	203	156.4 Å²	156.4	95%	0.949	79%	0.794	S	S	*	*			trans	-124.1	161.3	162.4	-94.6	-169.9	-21.8	0	0	110.6
305	S	27.6	Very low	28	Very low	116 Å²	116	160.4 Å²	160.4	81%	0.811	81%	0.814	S	S	*	*			trans	-108.3	130.1	-154.7	55.7	0	0	0	0	116
306	A	29.4	Very low	27.7	Very low	90 Å²	90	159 Å²	159	74%	0.744	81%	0.814	S	S	*	*			trans	-178.6	122.9	144.4	0	0	0	0	0	106.6
307	V	25.4	Very low	27.5	Very low	132 Å²	132	157.9 Å²	157.9	80%	0.8	82%	0.822	S	S	*	*				60.4	91.3	51	-168.5	0	0	0	0	112.3
308	E	28.7	Very low	27.4	Very low	190 Å²	190	156.9 Å²	156.9	89%	0.888	82%	0.817	S	S	*	*				-167.8	-179.5	108.3	-91.5	-153.4	147.1	0	0	111.2
309	R	24.4	Very low	27.2	Very low	226 Å²	226	158.9 Å²	158.9	85%	0.853	82%	0.817	S	S	*	*			trans	-113.5	153.3	-169.3	-58.7	167.2	176.4	149	-2.8	110.6
310	H	31.5	Very low	27	Very low	174 Å²	174	154.8 Å²	154.8	81%	0.806	81%	0.814	S	S	*	*				179.8	120.9	116.2	-98.6	-67	0	0	0	115.3
311	S	26.9	Very low	27	Very low	82 Å²	82	153.6 Å²	153.6	57%	0.573	81%	0.809	S	S	*	*			trans	-10.2	136.3	139.9	55.9	0	0	0	0	116.9
312	N	27.1	Very low	26.8	Very low	147 Å²	147	154.1 Å²	154.1	79%	0.786	81%	0.813	S	S	*	*				178.3	155.1	59.1	-115.2	-20.3	0	0	0	114
313	S	28.1	Very low	26.7	Very low	118 Å²	118	149.5 Å²	149.5	83%	0.825	81%	0.805	S	S	*	*			trans	58.4	139.1	148.5	68.1	0	0	0	0	122.4
314	G	27.5	Very low	26.6	Very low	71 Å²	71	151.7 Å²	151.7	73%	0.732	81%	0.805	S	S	*	*			trans	153.5	59.4	147.3	0	0	0	0	0	123
315	K	29.5	Very low	26.3	Very low	209 Å²	209	152.9 Å²	152.9	91%	0.909	80%	0.801	S	S	*	*			trans	66.3	146.1	156.6	-60.2	179.5	177	179.1	0	119.9
316	L	23.5	Very low	26.3	Very low	153 Å²	153	154.5 Å²	154.5	80%	0.801	80%	0.8	S	S	*	*			trans	-77.9	145.9	163.4	-70.4	70.9	0	0	0	110.3
317	C	27.5	Very low	26.2	Very low	130 Å²	130	157 Å²	157	88%	0.878	80%	0.8	S	S	*	*			trans	-158.9	117.9	140.2	-122.1	0	0	0	0	111.8
318	D	26.8	Very low	26.2	Very low	141 Å²	141	153.7 Å²	153.7	75%	0.754	79%	0.793	S	S	*	*			trans	-0.7	157.2	159.8	-152.1	6.5	0	0	0	123.1
319	R	25.6	Very low	26.1	Very low	209 Å²	209	153.8 Å²	153.8	79%	0.789	79%	0.787	S	S	*	*			trans	81.1	99	162.1	-59.2	-174	174.5	-169.7	-7.9	122.1
320	T	22.9	Very low	26.1	Very low	127 Å²	127	152.6 Å²	152.6	78%	0.779	78%	0.784	S	S	*	*				49.1	128.5	118.7	-25.2	0	0	0	0	121.6
321	K	24.7	Very low	26.1	Very low	194 Å²	194	154 Å²	154	84%	0.843	79%	0.788	S	S	*	*			trans	76.7	94.2	168.6	-59.1	-167.7	177.5	-174	0	118
322	L	24.9	Very low	26.1	Very low	164 Å²	164	153.4 Å²	153.4	86%	0.859	79%	0.794	S	S	*	*			trans	-165.5	110	133.8	-100	142.6	0	0	0	107
323	L	23.7	Very low	26.2	Very low	141 Å²	141	154.4 Å²	154.4	74%	0.738	80%	0.799	S	S	*	*				67.3	107.9	76.6	-109.8	165.4	0	0	0	114.5
324	E	23.1	Very low	26.4	Very low	168 Å²	168	153.3 Å²	153.3	79%	0.785	79%	0.789	S	S	*	*			trans	8.3	121.9	152.6	-61.2	162.2	-173	0	0	119.5
325	R	24.1	Very low	26.4	Very low	229 Å²	229	157.1 Å²	157.1	86%	0.864	79%	0.792	S	S	*	*				174.3	133.3	116.7	-98.4	167.5	171.4	175.1	-3.3	111.9
326	N	26.8	Very low	26.5	Very low	150 Å²	150	155.2 Å²	155.2	80%	0.802	79%	0.787	S	S	*	*			trans	156.1	133.4	143.2	-81.6	-21.5	0	0	0	110.3
327	L	28.1	Very low	26.8	Very low	141 Å²	141	154.3 Å²	154.3	74%	0.738	79%	0.788	S	S	*	*			cis	-164.6	126.7	-25.4	-131.1	174.2	0	0	0	107.3
328	G	24.7	Very low	26.9	Very low	64 Å²	64	151.7 Å²	151.7	66%	0.66	78%	0.783	S	S	*	*			trans	-82.4	161	175.4	0	0	0	0	0	112.9
329	Y	26.5	Very low	26.9	Very low	192 Å²	192	151.3 Å²	151.3	75%	0.753	79%	0.786	S	S	*	*			trans	-148.6	145.6	177.4	-112.5	-84.7	0	0	0	112.9
330	Y	25.2	Very low	26.9	Very low	201 Å²	201	146 Å²	146	79%	0.788	78%	0.781	S	S	*	*			trans	67.7	127.2	-174.2	-57.3	-84.2	0	0	0	114
331	F	30.7	Very low	27.2	Very low	204 Å²	204	147.3 Å²	147.3	90%	0.895	78%	0.778	S	S	*	*			cis	-116	167.3	22.5	-77.3	-105.5	0	0	0	114.6
332	G	26.7	Very low	27.2	Very low	68 Å²	68	149.9 Å²	149.9	70%	0.701	78%	0.782	S	S	*	*			trans	-95	-172.9	168.4	0	0	0	0	0	112.2
333	L	30.4	Very low	27.3	Very low	168 Å²	168	145.7 Å²	145.7	88%	0.88	78%	0.779	S	S	*	*			cis	-151.8	-173.6	13.5	-70.6	164.2	0	0	0	108.1
334	P	30.8	Very low	27.4	Very low	96 Å²	96	147.5 Å²	147.5	62%	0.623	79%	0.789	S	S	*	*				-129.6	169.4	-67.7	41.3	-26.6	0	0	0	113.3
335	D	28.4	Very low	27.5	Very low	150 Å²	150	142.9 Å²	142.9	80%	0.802	79%	0.787	S	S	*	*			trans	60.4	157.7	158.3	-52.6	-37.3	0	0	0	118.3
336	E	31	Very low	27.5	Very low	170 Å²	170	137.2 Å²	137.2	79%	0.794	78%	0.781	S	S	*	*			cis	-145.1	150.9	9.3	-150.9	167	-137	0	0	111.9
337	T	29.6	Very low	27.4	Very low	134 Å²	134	138.3 Å²	138.3	82%	0.822	78%	0.781	S	S	*	*			trans	-4	144.4	168.8	60.8	0	0	0	0	122.6
338	G	29.4	Very low	27.2	Very low	75 Å²	75	138.3 Å²	138.3	77%	0.773	79%	0.791	S	S	*	*			trans	-174.9	18	169.1	0	0	0	0	0	123.1
339	T	27	Very low	27.2	Very low	132 Å²	132	138.1 Å²	138.1	81%	0.81	79%	0.789	S	S	*	*			trans	7.9	111	169.5	53.7	0	0	0	0	122.2
340	S	26.2	Very low	27.2	Very low	98 Å²	98	134.5 Å²	134.5	69%	0.685	79%	0.792	S	S	*	*				76.8	141.5	125.1	76.3	0	0	0	0	124.3
341	H	28.6	Very low	27.2	Very low	155 Å²	155	131 Å²	131	72%	0.718	80%	0.795	S	S	*	*			trans	81.4	109.4	151.3	-71.3	-62.1	0	0	0	122.6
342	W	25.4	Very low	26.8	Very low	247 Å²	247	129 Å²	129	94%	0.936	79%	0.794	S	S	*	*				50.8	112.9	124.7	-69.7	42	0	0	0	119
343	G	26.1	Very low	26.9	Very low	76 Å²	76	133.1 Å²	133.1	78%	0.784	79%	0.794	S	S	*	*			trans	173.8	132.7	159.7	0	0	0	0	0	113
344	D	25.9	Very low	26.6	Very low	179 Å²	179	133.7 Å²	133.7	96%	0.957	79%	0.792	S	S	*	*			trans	-76.4	160.1	171.8	-53.3	-86.5	0	0	0	112.2
345	G	25.2	Very low	26.3	Very low	71 Å²	71	137.3 Å²	137.3	73%	0.732	80%	0.798	S	S	*	*			trans	134	129.4	146.5	0	0	0	0	0	117.7
346	C	24	Very low	26	Very low	110 Å²	110	135.3 Å²	135.3	74%	0.743	79%	0.792	S	S	*	*			trans	37.4	114.2	148	-69.8	0	0	0	0	119.5
347	E	25.9	Very low	25.6	Very low	174 Å²	174	135.2 Å²	135.2	81%	0.813	79%	0.792	S	S	*	*				78.3	141.8	74	-77.9	-174.9	134.6	0	0	114.8
348	C	24	Very low	25.4	Very low	140 Å²	140	134.2 Å²	134.2	95%	0.946	79%	0.785	S	S	*	*			trans	62.2	143.4	-177.4	-73.3	0	0	0	0	115.7
349	G	25.1	Very low	25.1	Very low	60 Å²	60	136.9 Å²	136.9	62%	0.619	79%	0.786	S	S	*	*			cis	161.6	162.6	-4.4	0	0	0	0	0	111.5
350	S	24.8	Very low	24.9	Very low	117 Å²	117	136.9 Å²	136.9	82%	0.818	79%	0.786	S	S	*	*			trans	48.2	109.3	168.9	59.1	0	0	0	0	118
351	C	25.9	Very low	24.9	Very low	126 Å²	126	135.6 Å²	135.6	85%	0.851	78%	0.781	S	S	*	*				-162.9	102.2	115.7	-110.2	0	0	0	0	111.1
352	L	23.3	Very low	24.8	Very low	164 Å²	164	135.1 Å²	135.1	86%	0.859	78%	0.784	S	S	*	*			trans	-68.9	136.2	154.2	-73.7	85.1	0	0	0	107.7
353	Q	28	Very low	24.8	Very low	153 Å²	153	128.4 Å²	128.4	72%	0.715	77%	0.77	S	S	*	*			trans	-151.5	113.1	142.7	-142.2	167.6	96.1	0	0	111.1
354	E	23.4	Very low	24.8	Very low	180 Å²	180	132.6 Å²	132.6	84%	0.841	77%	0.769	S	S	*	*			trans	-62.9	140.3	163.6	-59.6	166	112.3	0	0	109.1
355	K	25.5	Very low	24.8	Very low	172 Å²	172	128.7 Å²	128.7	75%	0.748	75%	0.748	S	S	*	*			trans	-153.4	103.7	156.4	-113.8	151.7	-165.8	161.9	0	112.6
356	T	22.5	Very low	24.7	Very low	108 Å²	108	135.2 Å²	135.2	66%	0.663	75%	0.752	S	S	*	*			trans	-41.6	150.6	159.3	46	0	0	0	0	115.1
357	E	23	Very low	24.6	Very low	169 Å²	169	134.6 Å²	134.6	79%	0.79	75%	0.749	S	S	*	*			trans	70.4	146.3	143.9	-72.3	169.9	-173.4	0	0	118.3
358	T	23.5	Very low	24.3	Very low	113 Å²	113	137.6 Å²	137.6	69%	0.693	75%	0.753	S	S	*	*			cis	-158.2	154.4	4.7	7.6	0	0	0	0	111.5
359	V	23	Very low	24.2	Very low	130 Å²	130	137.5 Å²	137.5	79%	0.788	75%	0.753	S	S	*	*			trans	53.6	123.8	139.4	178.2	0	0	0	0	118.7
360	V	24.4	Very low	24	Very low	133 Å²	133	144.1 Å²	144.1	81%	0.806	76%	0.764	S	S	*	*				-156	151	80.1	167.2	0	0	0	0	112.4
361	A	25.6	Very low	23.9	Very low	70 Å²	70	144.6 Å²	144.6	58%	0.579	76%	0.762	S	S	*	*			trans	-29.1	152.9	168.5	0	0	0	0	0	118.6
362	N	26.6	Very low	23.8	Very low	145 Å²	145	147.2 Å²	147.2	78%	0.775	76%	0.762	S	S	*	*				-140.3	132.5	54.6	-80.9	-14.8	0	0	0	111.9
363	T	25.6	Very low	23.8	Very low	107 Å²	107	148.3 Å²	148.3	66%	0.656	76%	0.763	S	S	*	*				58.8	127.1	73.2	67.5	0	0	0	0	112.9
364	E	26.4	Very low	23.6	Very low	164 Å²	164	147.8 Å²	147.8	77%	0.766	77%	0.77	S	S	*	*			cis	-144.4	165.7	6.4	-74.9	-148.9	134.5	0	0	108.7
365	N	24.9	Very low	23.7	Very low	96 Å²	96	142.2 Å²	142.2	51%	0.513	76%	0.76	S	S	.	*			cis	-167.1	172.4	-15.1	-98.6	-13.7	0	0	0	106.2
366	Y	24	Very low	23.6	Very low	209 Å²	209	143.7 Å²	143.7	82%	0.82	77%	0.767	S	S	*	*			cis	-151.7	171.3	0.3	-125.5	-48.1	0	0	0	107.5
367	S	20.8	Very low	23.8	Very low	97 Å²	97	143.5 Å²	143.5	68%	0.678	77%	0.767	S	S	*	*			trans	-157.6	158.6	167.8	68.2	0	0	0	0	113.8
368	R	21.2	Very low	23.8	Very low	237 Å²	237	140.8 Å²	140.8	89%	0.894	77%	0.767	S	S	*	*			trans	61.8	123.4	170.2	-65	176.4	170.2	162.7	-2.2	118.3
369	C	21.1	Very low	23.8	Very low	138 Å²	138	141.5 Å²	141.5	93%	0.932	77%	0.771	S	S	*	*			trans	-131	156.6	141.1	-104.9	0	0	0	0	109.2
370	K	20.8	Very low	23.8	Very low	198 Å²	198	141.5 Å²	141.5	86%	0.861	77%	0.77	S	S	*	*			trans	-136.9	112	-169.8	-179.4	-168.5	177.9	-168.1	0	109.7
371	V	22.9	Very low	23.7	Very low	128 Å²	128	144 Å²	144	78%	0.776	77%	0.773	S	S	*	*			trans	-144.2	108.9	174.7	-176.9	0	0	0	0	103.5
372	E	23.7	Very low	23.5	Very low	181 Å²	181	146.2 Å²	146.2	85%	0.846	78%	0.78	S	S	*	*				68.1	146.7	80	-65.9	-172	168.1	0	0	113.4
373	E	23.3	Very low	23.4	Very low	187 Å²	187	144.4 Å²	144.4	87%	0.874	78%	0.778	S	S	*	*			trans	-75.7	155.5	-156.8	-56	174.2	109.7	0	0	114.2
374	V	23.5	Very low	23.2	Very low	142 Å²	142	145 Å²	145	86%	0.861	78%	0.782	S	S	*	*				171.6	113.2	110.5	157.4	0	0	0	0	111.9
375	G	24.7	Very low	23.3	Very low	62 Å²	62	144.9 Å²	144.9	64%	0.639	79%	0.786	S	S	*	*				69.2	107.4	125.3	0	0	0	0	0	123.5
376	K	25.3	Very low	23.2	Very low	204 Å²	204	144.7 Å²	144.7	89%	0.887	80%	0.798	S	S	*	*			trans	74.8	166	130.6	-66.3	-177.5	179.5	179.9	0	118.8
377	P	25.8	Very low	23.3	Very low	103 Å²	103	138.8 Å²	138.8	67%	0.669	79%	0.792	S	S	*	*			cis	-140.7	169.7	-44.9	39.8	-24.7	0	0	0	114.5
378	S	23.3	Very low	23.6	Very low	113 Å²	113	144 Å²	144	79%	0.79	80%	0.803	S	S	*	*			trans	69.6	163.4	161.2	-46.3	0	0	0	0	114.5
379	V	23.9	Very low	23.6	Very low	128 Å²	128	141.8 Å²	141.8	78%	0.776	80%	0.8	S	S	*	*			cis	-124.5	147.2	17.6	172.4	0	0	0	0	111.7
380	V	21.3	Very low	23.8	Very low	129 Å²	129	141.8 Å²	141.8	78%	0.782	80%	0.796	S	S	*	*			trans	-94.5	121.3	164.8	175.2	0	0	0	0	107.7	V382	V380-V382 HydrophobicContact CG1-CG2 4.06Å
381	E	22.5	Very low	23.9	Very low	185 Å²	185	137.1 Å²	137.1	86%	0.864	78%	0.784	S	S	*	*			trans	-106.8	104.8	174.4	-165.4	157.7	-118.4	0	0	109.5
382	V	21.4	Very low	24.1	Very low	118 Å²	118	137.1 Å²	137.1	72%	0.715	79%	0.786	S	S	*	*			trans	-94.6	107.6	168.9	178.7	0	0	0	0	106.8	V380 V384	V380-V382 HydrophobicContact CG1-CG2 4.06Å; V382-V384 HydrophobicContact CG1-CG2 4.1Å
383	S	24.5	Very low	24.2	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	78%	0.783	S	S	*	*			trans	-96.8	134	168.1	-166.6	0	0	0	0	110.1
384	V	23	Very low	24.3	Very low	119 Å²	119	135.2 Å²	135.2	72%	0.721	78%	0.783	S	S	*	*			trans	-124.8	117.9	177.1	177.5	0	0	0	0	106.7	V382	V382-V384 HydrophobicContact CG1-CG2 4.1Å
385	D	27.7	Very low	24.4	Very low	161 Å²	161	134 Å²	134	86%	0.861	78%	0.778	S	S	*	*			trans	-138.6	112.1	169.5	-132.8	-28.4	0	0	0	110.5
386	A	23.2	Very low	24.7	Very low	93 Å²	93	137.9 Å²	137.9	77%	0.769	79%	0.79	S	S	*	*			trans	-142.1	73.6	-171.2	0	0	0	0	0	110.8
387	A	25.3	Very low	24.7	Very low	84 Å²	84	136.8 Å²	136.8	69%	0.694	79%	0.788	S	S	*	*			trans	-161.6	109.8	164.2	0	0	0	0	0	114.1
388	K	26.6	Very low	24.8	Very low	208 Å²	208	138 Å²	138	90%	0.904	79%	0.789	S	S	*	*				-172.3	107.6	120.3	-101.6	155.2	-172.3	171.7	0	112.4
389	F	21.6	Very low	25.2	Very low	189 Å²	189	139.9 Å²	139.9	83%	0.829	79%	0.79	S	S	*	*			trans	-85.4	143.5	164.5	-118.2	-95.4	0	0	0	109.7	V391	F389-V391 HydrophobicContact CD1-CG2 4.04Å; F389-V391 HydrophobicContact CE1-CG2 4.03Å
390	T	25.7	Very low	25.3	Very low	138 Å²	138	141.1 Å²	141.1	85%	0.847	79%	0.785	S	S	*	*			trans	-151.3	120.3	152.6	8.5	0	0	0	0	109.7
391	V	22.4	Very low	25.6	Very low	101 Å²	101	139.7 Å²	139.7	61%	0.612	79%	0.787	S	S	*	*			trans	-116.9	119.4	173.4	173.2	0	0	0	0	107.9	F389 T393	F389-V391 HydrophobicContact CD1-CG2 4.04Å; F389-V391 HydrophobicContact CE1-CG2 4.03Å; V391-T393 HydrophobicContact CG1-CG2 4.43Å
392	P	28.3	Very low	25.9	Very low	127 Å²	127	136 Å²	136	83%	0.825	78%	0.781	S	S	*	*			trans	-74.7	133.8	171.2	30.7	-31.9	0	0	0	109.8
393	T	25.1	Very low	26.2	Very low	125 Å²	125	141.8 Å²	141.8	77%	0.767	79%	0.79	S	S	*	*			trans	-121.1	118.2	178	39.9	0	0	0	0	111.4	V391	V391-T393 HydrophobicContact CG1-CG2 4.43Å
394	K	25.4	Very low	26.3	Very low	204 Å²	204	142.4 Å²	142.4	89%	0.887	79%	0.791	S	S	*	*			trans	-176.6	145.7	135.1	-106.8	178.1	178.3	-173.4	0	111.9
395	P	25.3	Very low	26.5	Very low	117 Å²	117	140.2 Å²	140.2	76%	0.76	79%	0.793	S	S	*	*			trans	-95	166.4	172.2	38.3	-34.3	0	0	0	112.6
396	T	31	Very low	26.5	Very low	143 Å²	143	139.3 Å²	139.3	88%	0.877	79%	0.794	S	S	*	*			trans	-129.8	158.7	155.1	43.7	0	0	0	0	108.5
397	E	26.3	Very low	26.5	Very low	181 Å²	181	140.8 Å²	140.8	85%	0.846	80%	0.798	S	S	*	*			trans	-96.2	170.8	-158.4	-62.6	176.2	111.3	0	0	115
398	D	28.1	Very low	26.6	Very low	128 Å²	128	142.3 Å²	142.3	68%	0.684	80%	0.804	S	S	*	*			trans	68.3	140.5	177.9	-59.1	-42.1	0	0	0	116.4	K400	D398-K400 IonicContact OD1-NZ 2.75Å; D398-K400 PolarHBondContact OD1-NZ 2.86Å
399	D	30.3	Very low	26.5	Very low	152 Å²	152	137.5 Å²	137.5	81%	0.813	80%	0.796	S	S	*	*			cis	-124	-175.7	17.3	-136.6	-33	0	0	0	115.4
400	K	26.5	Very low	26.6	Very low	154 Å²	154	136.6 Å²	136.6	67%	0.67	80%	0.799	S	S	*	*			trans	-116.4	155.3	-155	-60.8	176	-171.1	68.9	0	117.3	D398	D398-K400 IonicContact OD1-NZ 2.75Å; D398-K400 PolarHBondContact OD1-NZ 2.86Å
401	A	27.3	Very low	26.5	Very low	100 Å²	100	135 Å²	135	83%	0.826	79%	0.79	S	S	*	*			trans	73.5	142.1	166.2	0	0	0	0	0	117.3
402	S	28.4	Very low	26.5	Very low	106 Å²	106	137.9 Å²	137.9	74%	0.741	80%	0.801	S	S	*	*			cis	-163.2	119.7	-10.5	41.7	0	0	0	0	110
403	R	27.5	Very low	26.2	Very low	240 Å²	240	139.5 Å²	139.5	91%	0.906	80%	0.797	S	S	*	*				89.6	147.4	79.3	-123.2	-162.6	-176.9	-163.1	1.9	113.7
404	P	27.9	Very low	26.1	Very low	120 Å²	120	141 Å²	141	78%	0.779	80%	0.8	S	S	*	*				-140.8	171.7	-60.6	41.8	-27.1	0	0	0	115.7
405	G	26.2	Very low	26.1	Very low	73 Å²	73	135.8 Å²	135.8	75%	0.753	80%	0.795	S	S	*	*			trans	132.4	143.2	156	0	0	0	0	0	114.2
406	T	28.9	Very low	26	Very low	143 Å²	143	141.1 Å²	141.1	88%	0.877	80%	0.801	S	S	*	*			cis	-141.1	143.5	-0.3	50.3	0	0	0	0	111.1
407	S	23.1	Very low	25.7	Very low	123 Å²	123	137.8 Å²	137.8	86%	0.86	80%	0.795	S	S	*	*			trans	-103.7	124.3	175.4	57.8	0	0	0	0	112.1
408	S	27.2	Very low	25.7	Very low	117 Å²	117	136.1 Å²	136.1	82%	0.818	79%	0.792	S	S	*	*			trans	-119.6	118.3	174.2	56.2	0	0	0	0	111.5
409	S	25	Very low	25.6	Very low	107 Å²	107	137 Å²	137	75%	0.748	80%	0.797	S	S	*	*			trans	-71.3	127.5	180	51.2	0	0	0	0	112.7	T411	S409-T411 PolarHBondContact O-N 3.4Å; S409-T411 PolarHBondContact O-OG1 3.2Å
410	L	23.1	Very low	25.4	Very low	169 Å²	169	134.3 Å²	134.3	89%	0.885	80%	0.795	S	S	*	*			trans	-75.7	112.7	178.8	-136.9	165.1	0	0	0	110.1
411	T	23	Very low	25.3	Very low	106 Å²	106	132.4 Å²	132.4	65%	0.65	80%	0.802	S	S	*	*			trans	-104.2	110.3	-176	-52.6	0	0	0	0	110.2	S409 Q413	S409-T411 PolarHBondContact O-N 3.4Å; S409-T411 PolarHBondContact O-OG1 3.2Å; T411-Q413 PolarHBondContact O-N 2.83Å
412	L	22.7	Very low	25.2	Very low	161 Å²	161	132.5 Å²	132.5	84%	0.843	80%	0.795	S	S	*	*			trans	-77.9	98.6	177.2	-88.8	163	0	0	0	111.2
413	Q	23.3	Very low	25.1	Very low	161 Å²	161	135.6 Å²	135.6	75%	0.752	80%	0.797	S	S	*	*			trans	-90.7	111.4	165.3	-69.1	-170.4	-83.9	0	0	110.3	T411	T411-Q413 PolarHBondContact O-N 2.83Å
414	L	22.8	Very low	24.9	Very low	157 Å²	157	129.3 Å²	129.3	82%	0.822	79%	0.791	S	S	*	*			trans	-89.3	122.7	164.7	-71.6	168.5	0	0	0	108.9
415	A	24.1	Very low	25.1	Very low	94 Å²	94	129.5 Å²	129.5	78%	0.777	79%	0.794	S	S	*	*			trans	-133.9	128	175.8	0	0	0	0	0	110.3
416	Y	23.7	Very low	25	Very low	229 Å²	229	131 Å²	131	90%	0.898	79%	0.793	S	S	*	*			trans	-135.4	138.9	175.1	-86.5	-89.8	0	0	0	108.4
417	G	25.3	Very low	24.9	Very low	73 Å²	73	132 Å²	132	75%	0.753	79%	0.793	S	S	*	*			trans	125.9	102.7	170.7	0	0	0	0	0	114.2
418	N	25.5	Very low	25	Very low	145 Å²	145	129.7 Å²	129.7	78%	0.775	78%	0.781	S	S	*	*			trans	-2	148.5	157.5	-58.9	13.4	0	0	0	121.3
419	D	25.7	Very low	25	Very low	148 Å²	148	132.9 Å²	132.9	79%	0.791	79%	0.788	S	S	*	*	S	Bend	trans	64.5	112.6	148.2	-54.1	-28.1	0	0	0	120.1
420	A	26.1	Very low	25.3	Very low	94 Å²	94	131.9 Å²	131.9	78%	0.777	78%	0.781	S	S	*	*			trans	58.8	93.4	150.3	0	0	0	0	0	119.7
421	S	25.7	Very low	25.7	Very low	115 Å²	115	129.5 Å²	129.5	80%	0.804	77%	0.769	S	S	*	*			trans	87.9	152.4	141.6	84.3	0	0	0	0	120.8
422	C	23.7	Very low	25.9	Very low	102 Å²	102	132.5 Å²	132.5	69%	0.689	78%	0.78	S	S	*	*			trans	78.5	100.2	157.3	-59.2	0	0	0	0	121.1
423	H	27.7	Very low	26.1	Very low	170 Å²	170	134.5 Å²	134.5	79%	0.787	78%	0.782	S	S	*	*				57.3	91.8	126.4	-57.7	-63.4	0	0	0	121.5
424	S	23.3	Very low	26.6	Very low	109 Å²	109	135.6 Å²	135.6	76%	0.762	79%	0.787	S	S	*	*				28	118.4	125.3	61.6	0	0	0	0	120.9
425	S	30.4	Very low	26.9	Very low	123 Å²	123	136.2 Å²	136.2	86%	0.86	79%	0.791	S	S	*	*				-162.5	156.1	122.4	30.9	0	0	0	0	111
426	S	24.6	Very low	26.9	Very low	104 Å²	104	135 Å²	135	73%	0.727	79%	0.787	S	S	*	*			trans	-99	145.4	-172.7	48.3	0	0	0	0	112.9
427	L	26.5	Very low	27	Very low	165 Å²	165	130.7 Å²	130.7	86%	0.864	79%	0.785	S	S	*	*			trans	-123	150	165.6	-125.1	75.2	0	0	0	110
428	A	26.9	Very low	27.2	Very low	75 Å²	75	137.1 Å²	137.1	62%	0.62	80%	0.795	S	S	*	*			trans	-103	161.6	-169.9	0	0	0	0	0	113.4	S430	A428-S430 PolarHBondContact O-N 3.49Å
429	L	25.5	Very low	27.2	Very low	184 Å²	184	135.6 Å²	135.6	96%	0.963	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	42.3	-173.1	-156.9	76.4	0	0	0	113.8
430	S	30.9	Very low	27.3	Very low	86 Å²	86	138 Å²	138	60%	0.601	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-22.3	-179.4	45.5	0	0	0	0	114.4	A428	A428-S430 PolarHBondContact O-N 3.49Å
431	D	32.2	Very low	27.1	Very low	118 Å²	118	139.9 Å²	139.9	63%	0.631	81%	0.807	S	S	*	*	S	Bend	trans	-106.6	5.9	-153.9	-60.7	-1.9	0	0	0	114.7
432	L	27.7	Very low	27.2	Very low	170 Å²	170	139.4 Å²	139.4	89%	0.89	80%	0.803	S	S	*	*			trans	-120.1	65.9	-176.4	-75.7	169.8	0	0	0	112.6
433	K	27	Very low	27.4	Very low	203 Å²	203	143.5 Å²	143.5	88%	0.883	81%	0.813	S	S	*	*			trans	-119.2	59.5	171.4	-101.8	-165.6	177.6	-176.9	0	112.3
434	E	32.6	Very low	27.2	Very low	184 Å²	184	140.6 Å²	140.6	86%	0.86	81%	0.81	S	S	*	*			trans	-159.8	165.8	163.6	-120.6	165.1	-146.1	0	0	111.3
435	L	29.5	Very low	27.4	Very low	170 Å²	170	141.8 Å²	141.8	89%	0.89	82%	0.815	S	S	*	*			trans	65.3	80.9	175.8	-56.6	174.9	0	0	0	117.1
436	G	25.3	Very low	27.2	Very low	68 Å²	68	142 Å²	142	70%	0.701	81%	0.811	S	S	*	*			trans	-87.1	154.4	157.3	0	0	0	0	0	113
437	T	24.9	Very low	27.2	Very low	139 Å²	139	141.7 Å²	141.7	85%	0.853	82%	0.815	S	S	*	*			trans	52.1	93.6	159	58.9	0	0	0	0	119.1
438	Q	30.3	Very low	27.2	Very low	207 Å²	207	137.6 Å²	137.6	97%	0.967	81%	0.805	S	S	*	*				-161.3	144.5	129.8	-113.4	165.6	58.3	0	0	110.8
439	S	24.4	Very low	27.1	Very low	114 Å²	114	142.1 Å²	142.1	80%	0.797	82%	0.817	S	S	*	*			trans	-100	140.7	-176.6	53.6	0	0	0	0	112.2
440	M	27.4	Very low	27	Very low	197 Å²	197	136.6 Å²	136.6	97%	0.97	81%	0.805	S	S	*	*			trans	-143.1	130.1	158.4	-82.6	-148.2	159.3	0	0	111.4
441	T	23.3	Very low	26.7	Very low	134 Å²	134	138.7 Å²	138.7	82%	0.822	82%	0.816	S	S	*	*			trans	-103.7	132.7	178.8	50.9	0	0	0	0	111.2
442	S	26.6	Very low	26.4	Very low	105 Å²	105	136.9 Å²	136.9	73%	0.734	81%	0.812	S	S	*	*			trans	-172.3	139	147.8	39.2	0	0	0	0	115.7
443	Q	29	Very low	26.2	Very low	189 Å²	189	133.9 Å²	133.9	88%	0.883	80%	0.801	S	S	*	*			trans	68.2	104.8	145.8	-66.4	168.3	16.2	0	0	120.9
444	C	23.1	Very low	26	Very low	109 Å²	109	134 Å²	134	74%	0.736	80%	0.802	S	S	*	*			trans	-80.5	-179.3	153.2	-46.2	0	0	0	0	111.3	V446	C444-V446 HydrophobicContact CB-CG2 4.32Å
445	P	28.2	Very low	25.6	Very low	134 Å²	134	132.3 Å²	132.3	87%	0.87	79%	0.794	S	S	*	*				-126.3	168.3	113.2	37	-33.1	0	0	0	113.7
446	V	24.6	Very low	25.4	Very low	128 Å²	128	129.6 Å²	129.6	78%	0.776	78%	0.781	S	S	*	*			trans	-127.6	139.5	-168.7	173.2	0	0	0	0	112.2	C444	C444-V446 HydrophobicContact CB-CG2 4.32Å
447	A	26.5	Very low	25.3	Very low	97 Å²	97	133.2 Å²	133.2	80%	0.802	79%	0.789	S	S	*	*			trans	-141.8	117	149	0	0	0	0	0	106.4
448	A	25	Very low	25.2	Very low	78 Å²	78	131.4 Å²	131.4	65%	0.645	78%	0.781	S	S	*	*			cis	74.1	130	49.6	0	0	0	0	0	113.3
449	I	25.1	Very low	24.9	Very low	170 Å²	170	129 Å²	129	87%	0.872	77%	0.774	S	S	*	*			cis	-155.9	152.4	-5.7	-112	162.2	0	0	0	107.7
450	G	24.6	Very low	25	Very low	69 Å²	69	132.7 Å²	132.7	71%	0.711	78%	0.779	S	S	*	*			trans	175	113.5	170.6	0	0	0	0	0	114.2
451	P	24.2	Very low	24.8	Very low	129 Å²	129	129.4 Å²	129.4	84%	0.838	77%	0.77	S	S	*	*			trans	-103.6	131.7	-172.4	35.9	-30.9	0	0	0	114.4
452	S	24.7	Very low	25	Very low	80 Å²	80	130.8 Å²	130.8	56%	0.559	77%	0.772	S	S	*	*			trans	-157.6	26.6	174.6	56.9	0	0	0	0	116.9
453	T	24.7	Very low	24.8	Very low	107 Å²	107	136 Å²	136	66%	0.656	78%	0.776	S	S	*	*			trans	-138.4	82.5	174.3	-0.9	0	0	0	0	112.7
454	F	22.8	Very low	24.6	Very low	206 Å²	206	132.6 Å²	132.6	90%	0.904	77%	0.773	S	S	*	*			trans	-150.6	156.1	162	-111.3	-86.3	0	0	0	108.6
455	Q	24	Very low	24.7	Very low	148 Å²	148	133.5 Å²	133.5	69%	0.692	78%	0.775	S	S	*	*			trans	70.1	100.5	-176	-130.6	66.9	22.4	0	0	116.1
456	N	24.8	Very low	24.4	Very low	114 Å²	114	133.2 Å²	133.2	61%	0.61	77%	0.77	S	S	*	*				168	69.9	122.7	-85.2	0.7	0	0	0	112.6	G907	N456-G907 PolarHBondContact ND2-O 3.17Å
457	V	24.2	Very low	24.4	Very low	144 Å²	144	135.7 Å²	135.7	87%	0.873	77%	0.773	S	S	*	*			trans	-143.7	109.7	146.4	-176.2	0	0	0	0	107
458	C	21.9	Very low	24.1	Very low	100 Å²	100	137.2 Å²	137.2	68%	0.676	77%	0.773	S	S	*	*			trans	-146.6	159.4	164.4	-84	0	0	0	0	106.6
459	D	24.3	Very low	24.1	Very low	156 Å²	156	138.6 Å²	138.6	83%	0.834	78%	0.777	S	S	*	*			trans	68.8	124.2	-174.7	-44.5	-25	0	0	0	112
460	E	25.9	Very low	24.2	Very low	193 Å²	193	135.3 Å²	135.3	90%	0.902	77%	0.77	S	S	*	*			cis	-113.8	143.4	4.2	-66.2	-178.4	118.9	0	0	112.7
461	V	23.4	Very low	24.1	Very low	128 Å²	128	139 Å²	139	78%	0.776	78%	0.778	S	S	*	*			trans	-133.3	125.3	164.1	172.9	0	0	0	0	106.4	R463	V461-R463 HydrophobicContact CG1-CG 4.39Å
462	D	27.3	Very low	24.3	Very low	162 Å²	162	139.1 Å²	139.1	87%	0.866	78%	0.776	S	S	*	*			trans	-113.5	152.8	153.4	-151.3	-7.9	0	0	0	110.5
463	R	22.1	Very low	24.2	Very low	215 Å²	215	138.4 Å²	138.4	81%	0.811	78%	0.781	S	S	*	*			trans	-110.4	142.6	-159.2	-61.4	168	171.3	148.8	-5.3	111.2	V461	V461-R463 HydrophobicContact CG1-CG 4.39Å
464	S	25.1	Very low	24.3	Very low	117 Å²	117	141 Å²	141	82%	0.818	79%	0.791	S	S	*	*			trans	-152	119.2	152.3	-83.3	0	0	0	0	112.7
465	V	25.3	Very low	24.5	Very low	128 Å²	128	139.5 Å²	139.5	78%	0.776	79%	0.787	S	S	*	*			trans	49.1	99.9	154.5	-167.2	0	0	0	0	117.6
466	V	21.6	Very low	24.6	Very low	128 Å²	128	140.7 Å²	140.7	78%	0.776	80%	0.798	S	S	*	*			trans	-82.4	130.6	148.1	172.4	0	0	0	0	108.1	V468	V466-V468 HydrophobicContact CG1-CG2 3.75Å
467	E	24.1	Very low	24.6	Very low	180 Å²	180	140.5 Å²	140.5	84%	0.841	80%	0.801	S	S	*	*			trans	-118.6	135	160	-117.4	-179.2	-171.4	0	0	109.6
468	V	21.7	Very low	24.5	Very low	130 Å²	130	142.2 Å²	142.2	79%	0.788	80%	0.804	S	S	*	*			trans	-116.8	123.1	-175.9	179.6	0	0	0	0	109.5	V466	V466-V468 HydrophobicContact CG1-CG2 3.75Å
469	S	25	Very low	24.7	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	81%	0.81	S	S	*	*			trans	-144.1	108.9	167.4	40.7	0	0	0	0	112.8
470	S	25.5	Very low	24.8	Very low	101 Å²	101	145.1 Å²	145.1	71%	0.706	81%	0.812	S	S	*	*			trans	45.9	102.7	153.6	54.8	0	0	0	0	119.6
471	V	23	Very low	24.7	Very low	146 Å²	146	144.1 Å²	144.1	89%	0.885	81%	0.807	S	S	*	*			trans	-71.9	119	149.4	174.1	0	0	0	0	109.5
472	T	28.1	Very low	24.8	Very low	131 Å²	131	144.9 Å²	144.9	80%	0.804	81%	0.812	S	S	*	*			trans	-139	78.1	157.3	40.3	0	0	0	0	110.4
473	G	24.3	Very low	24.7	Very low	65 Å²	65	140.2 Å²	140.2	67%	0.67	80%	0.802	S	S	*	*			trans	-68.9	147.4	168.4	0	0	0	0	0	111.5
474	N	25.9	Very low	24.9	Very low	162 Å²	162	138.5 Å²	138.5	87%	0.866	80%	0.803	S	S	*	*			trans	-143.3	136.6	164	-114.6	-32.1	0	0	0	110
475	H	26.1	Very low	25	Very low	174 Å²	174	141.7 Å²	141.7	81%	0.806	80%	0.803	S	S	*	*			trans	-85	121.7	-171.3	-58.5	-86.1	0	0	0	111.8	V477	H475-V477 HydrophobicContact CB-CG2 4.42Å; H475-V477 PolarHBondContact O-N 3.01Å; H475-V477 VanDerWaalsContact O-N 3.11Å
476	N	27.1	Very low	25	Very low	173 Å²	173	140.4 Å²	140.4	93%	0.925	81%	0.806	S	S	*	*			trans	-80.9	85.5	162.6	-80.4	-18.6	0	0	0	110.1
477	V	25.1	Very low	25.2	Very low	110 Å²	110	140.5 Å²	140.5	67%	0.667	81%	0.806	S	S	*	*			trans	-79.7	136.4	161	175.4	0	0	0	0	108.5	H475 T479	H475-V477 HydrophobicContact CB-CG2 4.42Å; H475-V477 PolarHBondContact O-N 3.01Å; H475-V477 VanDerWaalsContact O-N 3.11Å; V477-T479 PolarHBondContact O-N 3.26Å; V477-T479 VanDerWaalsContact O-N 3.12Å
478	L	22.7	Very low	25.4	Very low	180 Å²	180	136.8 Å²	136.8	94%	0.942	80%	0.8	S	S	*	*			trans	-71.7	100.5	173.4	-76.9	163.8	0	0	0	110.5
479	T	26.1	Very low	25.6	Very low	130 Å²	130	135.2 Å²	135.2	80%	0.798	79%	0.794	S	S	*	*			trans	-136.3	155.1	163.5	39.4	0	0	0	0	110.5	V477	V477-T479 PolarHBondContact O-N 3.26Å; V477-T479 VanDerWaalsContact O-N 3.12Å
480	E	24.6	Very low	25.7	Very low	187 Å²	187	137.4 Å²	137.4	87%	0.874	80%	0.797	S	S	*	*			trans	-83.5	162.4	-159.7	-63.6	169.4	113.2	0	0	115.4
481	Q	23.8	Very low	25.7	Very low	173 Å²	173	139.2 Å²	139.2	81%	0.808	80%	0.799	S	S	*	*			trans	-10.3	156.7	164.8	-55.3	-178.2	-4.7	0	0	121
482	T	27.3	Very low	26.2	Very low	143 Å²	143	137.5 Å²	137.5	88%	0.877	79%	0.791	S	S	*	*			trans	77.1	142.3	171.9	77.3	0	0	0	0	115.3
483	G	24.1	Very low	26.3	Very low	64 Å²	64	139 Å²	139	66%	0.66	79%	0.793	S	S	*	*			cis	173.8	159.3	-8.2	0	0	0	0	0	112.1
484	E	26.7	Very low	26.3	Very low	179 Å²	179	140.4 Å²	140.4	84%	0.836	80%	0.798	S	S	*	*			trans	64.6	119.1	168.9	-56.7	-155.5	114.9	0	0	117.1
485	K	26.2	Very low	26.4	Very low	185 Å²	185	136.5 Å²	136.5	80%	0.804	79%	0.789	S	S	*	*				79.6	104.2	66.2	-79.9	-175	173.9	177.8	0	116.3
486	A	26.5	Very low	26.4	Very low	101 Å²	101	134.6 Å²	134.6	84%	0.835	79%	0.79	S	S	*	*			trans	-160.7	121.4	140.3	0	0	0	0	0	107.1
487	V	25.5	Very low	26.5	Very low	130 Å²	130	131.6 Å²	131.6	79%	0.788	78%	0.777	S	S	*	*			cis	95.7	100.1	25.6	-178	0	0	0	0	114.9
488	S	28.7	Very low	26.6	Very low	101 Å²	101	132.8 Å²	132.8	71%	0.706	79%	0.785	S	S	*	*			trans	-176.3	101.2	147.7	52.5	0	0	0	0	109.1
489	S	24.7	Very low	26.7	Very low	97 Å²	97	128.1 Å²	128.1	68%	0.678	77%	0.772	S	S	*	*				76.9	135.6	77.9	70.5	0	0	0	0	113.2
490	L	26.9	Very low	26.8	Very low	154 Å²	154	128.2 Å²	128.2	81%	0.806	77%	0.767	S	S	*	*			cis	-130.3	164.1	12.2	-85.1	96.1	0	0	0	110.2
491	D	27.6	Very low	27	Very low	139 Å²	139	127.4 Å²	127.4	74%	0.743	76%	0.761	S	S	*	*			cis	102	145.2	29.1	-66.8	-64.2	0	0	0	115.1
492	P	33.1	Very low	27.3	Very low	109 Å²	109	125.1 Å²	125.1	71%	0.708	76%	0.755	S	S	*	*			trans	-139.3	-171.5	-135.8	44.6	-27.3	0	0	0	117.9
493	L	28.7	Very low	27.4	Very low	162 Å²	162	123.5 Å²	123.5	85%	0.848	74%	0.744	S	S	*	*			trans	177.5	133.8	148.6	-116.4	55.2	0	0	0	109.6
494	A	26	Very low	27.8	Very low	95 Å²	95	127.5 Å²	127.5	79%	0.785	75%	0.751	S	S	*	*			cis	78.3	141.3	49.5	0	0	0	0	0	114.4
495	A	26.7	Very low	27.9	Very low	81 Å²	81	125.6 Å²	125.6	67%	0.669	75%	0.746	S	S	*	*			cis	-166.1	-170.4	6.5	0	0	0	0	0	113.5
496	T	27.5	Very low	28.1	Very low	134 Å²	134	121.8 Å²	121.8	82%	0.822	74%	0.743	S	S	*	*			trans	72.6	139.1	149.9	48.7	0	0	0	0	121.8
497	T	27.5	Very low	28.2	Very low	109 Å²	109	122.3 Å²	122.3	67%	0.669	74%	0.736	S	S	*	*			cis	-169.2	150.8	-18.4	-34.6	0	0	0	0	112.4
498	T	27.1	Very low	28.3	Very low	135 Å²	135	123.2 Å²	123.2	83%	0.828	74%	0.736	S	S	*	*			trans	64	160.4	154.6	31.9	0	0	0	0	119.2
499	A	26.6	Very low	28.3	Very low	82 Å²	82	127.7 Å²	127.7	68%	0.678	75%	0.746	S	S	*	*			cis	-172.9	172.9	1.4	0	0	0	0	0	108.6
500	L	26.5	Very low	28.2	Very low	132 Å²	132	130.4 Å²	130.4	69%	0.691	75%	0.752	S	S	*	*			cis	-170.7	173.1	-13.8	-103.6	169.3	0	0	0	109.4
501	F	29.6	Very low	28.1	Very low	170 Å²	170	129 Å²	129	75%	0.746	75%	0.75	S	S	*	*			trans	71.8	150.8	165.1	-53.1	-57.4	0	0	0	118
502	D	30.6	Very low	28	Very low	125 Å²	125	128.2 Å²	128.2	67%	0.668	76%	0.756	S	S	*	*			cis	-156.4	129.5	-8.2	-110.2	-14.9	0	0	0	109.2
503	V	28.9	Very low	27.5	Very low	109 Å²	109	131.6 Å²	131.6	66%	0.661	76%	0.764	S	S	*	*				82.3	116.9	91.2	169.6	0	0	0	0	117.6
504	N	31.6	Very low	27.4	Very low	149 Å²	149	130.9 Å²	130.9	80%	0.797	77%	0.766	S	S	*	*			trans	150.4	107.5	142.6	-82.9	-60.4	0	0	0	108.5
505	D	28.5	Very low	27.4	Very low	139 Å²	139	131.2 Å²	131.2	74%	0.743	76%	0.763	S	S	*	*			cis	94	112.8	31.8	-166.7	19.7	0	0	0	115
506	S	31.6	Very low	27.2	Very low	104 Å²	104	133.4 Å²	133.4	73%	0.727	77%	0.772	S	S	*	*			trans	-178.6	102.1	144.4	33.5	0	0	0	0	112.8
507	T	29.3	Very low	27.2	Very low	113 Å²	113	131.9 Å²	131.9	69%	0.693	77%	0.773	S	S	*	*			trans	35.2	115	141.5	57.1	0	0	0	0	120.3
508	N	27.2	Very low	27.1	Very low	148 Å²	148	131.1 Å²	131.1	79%	0.791	78%	0.778	S	S	*	*				71.1	121.4	69.2	-73.1	-20.5	0	0	0	116.1
509	E	27.5	Very low	27	Very low	196 Å²	196	136.2 Å²	136.2	92%	0.916	78%	0.782	S	S	*	*				-165.1	152.6	112.7	-109.2	171.4	-168.8	0	0	112.2
510	L	23.8	Very low	26.9	Very low	153 Å²	153	142 Å²	142	80%	0.801	79%	0.791	S	S	*	*			trans	-121.3	150.4	173.7	-69.9	82.9	0	0	0	108.9
511	T	25	Very low	26.9	Very low	126 Å²	126	140.5 Å²	140.5	77%	0.773	79%	0.793	S	S	*	*			trans	-179.5	117.6	130.3	21.4	0	0	0	0	113.6
512	S	25.1	Very low	26.7	Very low	122 Å²	122	139.7 Å²	139.7	85%	0.853	79%	0.791	S	S	*	*				168.6	136.8	117.1	51.1	0	0	0	0	110.5
513	M	23.2	Very low	26.6	Very low	180 Å²	180	141.3 Å²	141.3	89%	0.887	79%	0.794	S	S	*	*			trans	-142	135.4	176.8	-63	177.1	-68.4	0	0	109.7
514	T	25.3	Very low	26.5	Very low	146 Å²	146	143.3 Å²	143.3	90%	0.896	80%	0.801	S	S	*	*			trans	-161.1	145.7	143.5	14.1	0	0	0	0	107.6
515	S	25.5	Very low	26.3	Very low	102 Å²	102	140.8 Å²	140.8	71%	0.713	79%	0.793	S	S	*	*			cis	-138.6	145.5	18.5	58.3	0	0	0	0	114.5
516	C	23.6	Very low	26.3	Very low	128 Å²	128	141.6 Å²	141.6	87%	0.865	80%	0.797	S	S	*	*			trans	40	137	146.2	-56.6	0	0	0	0	121
517	A	27.2	Very low	26.1	Very low	102 Å²	102	143.4 Å²	143.4	84%	0.843	80%	0.799	S	S	*	*			cis	-142.7	168.6	23.9	0	0	0	0	0	114.7
518	A	24.6	Very low	26	Very low	92 Å²	92	145.5 Å²	145.5	76%	0.76	81%	0.806	S	S	*	*			trans	-72.5	164.3	-175.3	0	0	0	0	0	113.1
519	R	26.5	Very low	25.9	Very low	242 Å²	242	144.4 Å²	144.4	91%	0.913	80%	0.804	S	S	*	*			cis	-146.9	147.9	35.7	-68.3	175.2	174.1	160.3	-0.8	116.2
520	K	24.4	Very low	25.7	Very low	203 Å²	203	140.3 Å²	140.3	88%	0.883	80%	0.797	S	S	*	*			trans	-45.5	149.7	160.9	-52.8	171.3	173	-174.9	0	114.5
521	S	25.4	Very low	25.7	Very low	102 Å²	102	138.7 Å²	138.7	71%	0.713	80%	0.799	S	S	*	*				-178.3	123.2	111.9	53.7	0	0	0	0	114
522	H	26.4	Very low	25.6	Very low	152 Å²	152	140.9 Å²	140.9	70%	0.704	80%	0.804	S	S	*	*			trans	62.1	118.7	150.8	-70.3	-91.3	0	0	0	118.2
523	E	27.3	Very low	25.5	Very low	160 Å²	160	140 Å²	140	75%	0.748	80%	0.796	S	S	*	*				66.7	135.5	86.3	-72.4	171.5	-169.4	0	0	113.7
524	N	26.6	Very low	25.4	Very low	150 Å²	150	140.3 Å²	140.3	80%	0.802	80%	0.795	S	S	*	*			cis	-157.8	162.6	-16.2	-144.8	34.8	0	0	0	107
525	P	29	Very low	25.3	Very low	96 Å²	96	141 Å²	141	62%	0.623	79%	0.791	S	S	*	*			trans	-84.6	163.8	-176.3	36.2	-35	0	0	0	112.8
526	D	28.6	Very low	25.2	Very low	156 Å²	156	143.6 Å²	143.6	83%	0.834	80%	0.796	S	S	*	*				-164.8	163	129.6	-102.8	-32.3	0	0	0	111.1
527	N	26.1	Very low	25.1	Very low	142 Å²	142	143.5 Å²	143.5	76%	0.759	80%	0.797	S	S	*	*			trans	-89	156.9	-172.4	-53.3	-77.6	0	0	0	112.3
528	D	26.8	Very low	24.9	Very low	158 Å²	158	142.3 Å²	142.3	85%	0.845	80%	0.795	S	S	*	*				-162.9	155.5	104.4	-117.6	-25.9	0	0	0	117.2
529	V	25	Very low	25	Very low	124 Å²	124	143 Å²	143	75%	0.752	79%	0.794	S	S	*	*			trans	-63.7	159.4	-168.7	176.7	0	0	0	0	115.9
530	S	23.9	Very low	25.1	Very low	110 Å²	110	141.2 Å²	141.2	77%	0.769	80%	0.796	S	S	*	*			trans	101.4	82.3	155	72.5	0	0	0	0	120.7
531	S	25	Very low	25.2	Very low	120 Å²	120	136.7 Å²	136.7	84%	0.839	78%	0.781	S	S	*	*			trans	-161.5	119.2	141.5	-80.3	0	0	0	0	110.3
532	I	22.5	Very low	25.3	Very low	172 Å²	172	135.3 Å²	135.3	88%	0.882	77%	0.771	S	S	*	*			trans	-96.2	124.9	169.5	-65.1	169.1	0	0	0	107.6
533	P	22.4	Very low	25.4	Very low	104 Å²	104	134.4 Å²	134.4	68%	0.675	77%	0.771	S	S	*	*				-137.8	163.1	124.2	36.3	-24.3	0	0	0	113.6
534	E	21.8	Very low	25.5	Very low	186 Å²	186	129.3 Å²	129.3	87%	0.869	75%	0.753	S	S	*	*			trans	-65.7	126.3	-178.2	-57.4	142	131.8	0	0	112.1
535	I	23	Very low	25.6	Very low	160 Å²	160	126.6 Å²	126.6	82%	0.821	74%	0.739	S	S	*	*			trans	-134.6	122.4	160.8	-63.8	-175.1	0	0	0	108.7
536	L	22.2	Very low	25.6	Very low	157 Å²	157	124.9 Å²	124.9	82%	0.822	72%	0.722	S	S	*	*			trans	-81.1	167.7	174.8	-70.1	128.8	0	0	0	111.6
537	S	22	Very low	25.5	Very low	126 Å²	126	121 Å²	121	88%	0.881	71%	0.706	S	S	*	*			trans	81.5	138.1	169.4	80	0	0	0	0	118.3
538	G	23.8	Very low	25.5	Very low	77 Å²	77	122.9 Å²	122.9	79%	0.794	70%	0.703	S	S	*	*			trans	75.6	102.6	154	0	0	0	0	0	119
539	S	26.2	Very low	25.6	Very low	107 Å²	107	119.5 Å²	119.5	75%	0.748	69%	0.685	S	S	*	*			trans	-150.1	117.9	142.9	72.6	0	0	0	0	111.3	N541	S539-N541 VanDerWaalsContact C-N 3.34Å; S539-N541 PolarHBondContact O-N 3.02Å
540	E	28	Very low	25.8	Very low	204 Å²	204	119.3 Å²	119.3	95%	0.953	68%	0.679	S	S	*	*			trans	-93.7	43.5	-169.3	-59.3	171.9	118.2	0	0	112.2
541	N	27.2	Very low	26	Very low	107 Å²	107	121 Å²	121	57%	0.572	68%	0.68	S	S	*	*			trans	-133	20.4	-158	-132.7	-27.2	0	0	0	116.6	S539 D543 S544	S539-N541 VanDerWaalsContact C-N 3.34Å; S539-N541 PolarHBondContact O-N 3.02Å; N541-D543 PolarHBondContact O-N 2.87Å; N541-S544 PolarHBondContact O-OG 2.79Å; N541-S544 PolarHBondContact OD1-OG 2.76Å
542	C	28.2	Very low	26	Very low	74 Å²	74	119.3 Å²	119.3	50%	0.5	67%	0.668	S	S	.	*	H	α-helix	trans	-63.5	-37.7	-179.3	-64	0	0	0	0	113.7	S544 N545 F546	C542-S544 PolarHBondContact O-N 2.67Å; C542-N545 PolarHBondContact O-N 2.85Å; C542-F546 HydrophobicContact CB-CD2 4.32Å; C542-F546 HydrophobicContact CB-CE2 3.77Å; C542-F546 WeakPolarHBondContact O-CD2 3.35Å; C542-F546 PolarHBondContact O-N 2.87Å
543	D	28.3	Very low	26.3	Very low	132 Å²	132	114.9 Å²	114.9	71%	0.706	65%	0.652	S	S	*	*	H	α-helix	trans	-58.2	-34.4	-176.5	-60.6	-22.6	0	0	0	113.1	N541 N545 F546 S547	N541-D543 PolarHBondContact O-N 2.87Å; D543-N545 PolarHBondContact O-N 3.36Å; D543-F546 PolarHBondContact O-N 3.44Å; D543-S547 PolarHBondContact O-N 3.41Å
544	S	28.6	Very low	26.4	Very low	53 Å²	53	118.8 Å²	118.8	37%	0.371	66%	0.661	S	S	.	*	H	α-helix	trans	-61.3	-30.4	177.7	72.5	0	0	0	0	112.9	N541 C542 S547	N541-S544 PolarHBondContact O-OG 2.79Å; N541-S544 PolarHBondContact OD1-OG 2.76Å; C542-S544 PolarHBondContact O-N 2.67Å; S544-S547 PolarHBondContact O-OG 2.94Å; S544-S547 VanDerWaalsContact O-OG 3.12Å
545	N	29	Very low	26.7	Very low	93 Å²	93	116.8 Å²	116.8	50%	0.497	66%	0.655	S	S	.	*	H	α-helix	trans	-89.6	-30.8	179.3	-71.6	-47.2	0	0	0	112.9	C542 D543 S547 R548 L549	C542-N545 PolarHBondContact O-N 2.85Å; D543-N545 PolarHBondContact O-N 3.36Å; N545-S547 VanDerWaalsContact C-N 3.33Å; N545-S547 PolarHBondContact O-N 2.89Å; N545-R548 PolarHBondContact O-N 2.88Å; N545-R548 VanDerWaalsContact O-N 3.14Å; N545-L549 PolarHBondContact O-N 3.24Å; N545-L549 VanDerWaalsContact O-N 3.16Å
546	F	28.9	Very low	26.8	Very low	60 Å²	60	117.5 Å²	117.5	26%	0.263	65%	0.653	S	S	.	*	H	α-helix	trans	-64.8	-34.7	178.1	-71.4	-50.2	0	0	0	113.4	C542 D543 R548 L549 N550 A600 Y602	C542-F546 HydrophobicContact CB-CD2 4.32Å; C542-F546 HydrophobicContact CB-CE2 3.77Å; C542-F546 WeakPolarHBondContact O-CD2 3.35Å; C542-F546 PolarHBondContact O-N 2.87Å; D543-F546 PolarHBondContact O-N 3.44Å; F546-R548 PolarHBondContact O-N 3.47Å; F546-L549 HydrophobicContact CD1-CD1 4.47Å; F546-N550 PolarHBondContact O-N 2.99Å; F546-A600 HydrophobicContact CZ-CB 4.05Å; F546-Y602 AromaticContact CD1-CE2 3.94Å; F546-Y602 HydrophobicContact CD1-CE2 3.94Å; F546-Y602 AromaticContact CD1-CZ 3.83Å; F546-Y602 AromaticContact CE1-CD2 3.89Å; F546-Y602 HydrophobicContact CE1-CD2 3.89Å; F546-Y602 HydrophobicContact CE1-CE1 4.43Å; F546-Y602 AromaticContact CE1-CE2 3.11Å; F546-Y602 HydrophobicContact CE1-CE2 3.11Å; F546-Y602 AromaticContact CE1-CZ 3.45Å; F546-Y602 VanDerWaalsContact CE1-CZ 3.45Å; F546-Y602 WeakPolarHBondContact CE1-OH 3.3Å; F546-Y602 HydrophobicContact CE2-CE2 4.45Å; F546-Y602 HydrophobicContact CZ-CD2 4.48Å; F546-Y602 AromaticContact CZ-CE2 3.44Å; F546-Y602 HydrophobicContact CZ-CE2 3.44Å; F546-Y602 VanDerWaalsContact CZ-CE2 3.44Å; F546-Y602 AromaticContact CZ-CZ 3.81Å
547	S	26.8	Very low	26.9	Very low	74 Å²	74	119.5 Å²	119.5	52%	0.517	66%	0.658	S	S	.	*	H	α-helix	trans	-64	-26.5	174.1	66.2	0	0	0	0	114	D543 S544 N545 N551	D543-S547 PolarHBondContact O-N 3.41Å; S544-S547 PolarHBondContact O-OG 2.94Å; S544-S547 VanDerWaalsContact O-OG 3.12Å; N545-S547 VanDerWaalsContact C-N 3.33Å; N545-S547 PolarHBondContact O-N 2.89Å; S547-N551 PolarHBondContact O-ND2 3.04Å; S547-N551 VanDerWaalsContact O-ND2 3.11Å
548	R	26.2	Very low	27	Very low	182 Å²	182	118.5 Å²	118.5	69%	0.687	65%	0.651	S	S	*	*	H	α-helix	trans	-82.4	-47	177.8	-69.7	-179.3	167.3	-171.7	-4.6	111.9	N545 F546 N550 N551 S552	N545-R548 PolarHBondContact O-N 2.88Å; N545-R548 VanDerWaalsContact O-N 3.14Å; F546-R548 PolarHBondContact O-N 3.47Å; R548-N550 VanDerWaalsContact C-N 3.26Å; R548-N550 PolarHBondContact O-N 3.49Å; R548-N551 PolarHBondContact O-N 2.92Å; R548-S552 PolarHBondContact O-OG 3.39Å
549	L	28.5	Very low	27.1	Very low	88 Å²	88	124 Å²	124	46%	0.461	66%	0.656	S	S	.	*	H	α-helix	trans	-56.5	-36.3	-179.1	-85.5	165.9	0	0	0	113.7	N545 F546 N551 L578	N545-L549 PolarHBondContact O-N 3.24Å; N545-L549 VanDerWaalsContact O-N 3.16Å; F546-L549 HydrophobicContact CD1-CD1 4.47Å; L549-N551 PolarHBondContact O-N 3.21Å; L549-N551 VanDerWaalsContact O-N 3.16Å; L549-L578 HydrophobicContact CD1-CD2 4.24Å; L549-L578 HydrophobicContact CD2-CD2 4.37Å
550	N	29	Very low	27.1	Very low	119 Å²	119	128.8 Å²	128.8	64%	0.636	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-16.7	178.4	-112	-33.9	0	0	0	114.2	F546 R548	F546-N550 PolarHBondContact O-N 2.99Å; R548-N550 VanDerWaalsContact C-N 3.26Å; R548-N550 PolarHBondContact O-N 3.49Å
551	N	27.6	Very low	27	Very low	146 Å²	146	123.9 Å²	123.9	78%	0.781	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	-4.1	-173.5	-73.8	-58.8	0	0	0	114.6	S547 R548 L549	S547-N551 PolarHBondContact O-ND2 3.04Å; S547-N551 VanDerWaalsContact O-ND2 3.11Å; R548-N551 PolarHBondContact O-N 2.92Å; L549-N551 PolarHBondContact O-N 3.21Å; L549-N551 VanDerWaalsContact O-N 3.16Å
552	S	24.7	Very low	27	Very low	84 Å²	84	125.4 Å²	125.4	59%	0.587	67%	0.665	S	S	*	*			trans	-140.2	75.3	-168.3	64.5	0	0	0	0	114.8	R548	R548-S552 PolarHBondContact O-OG 3.39Å
553	S	29.8	Very low	27.2	Very low	80 Å²	80	130.1 Å²	130.1	56%	0.559	68%	0.679	S	S	*	*			trans	-160	59.1	167.9	46.1	0	0	0	0	115.3	I555	S553-I555 PolarHBondContact O-N 3.38Å
554	Q	24.6	Very low	27.4	Very low	185 Å²	185	130.6 Å²	130.6	86%	0.864	69%	0.688	S	S	*	*			trans	-72.7	68.9	158.1	-77.9	-163.2	3.6	0	0	111	K556	Q554-K556 PolarHBondContact O-N 2.86Å; Q554-K556 VanDerWaalsContact O-N 3.12Å
555	I	28.9	Very low	28	Very low	144 Å²	144	130.3 Å²	130.3	74%	0.738	68%	0.683	S	S	*	*			trans	-73.9	104.2	172.6	-59.5	179.3	0	0	0	107.9	S553	S553-I555 PolarHBondContact O-N 3.38Å
556	K	24.6	Very low	29	Very low	176 Å²	176	129.6 Å²	129.6	77%	0.765	68%	0.68	S	S	*	*			trans	-66	138.5	-180	-71	177.7	179.6	171.9	0	110.4	Q554 S558	Q554-K556 PolarHBondContact O-N 2.86Å; Q554-K556 VanDerWaalsContact O-N 3.12Å; K556-S558 PolarHBondContact O-N 3.46Å
557	Q	24.6	Very low	30.1	Very low	198 Å²	198	127.4 Å²	127.4	93%	0.925	67%	0.671	S	S	*	*			trans	-59.9	123.7	-177.9	-65.8	174.8	-14.4	0	0	112
558	S	24	Very low	31.3	Very low	106 Å²	106	125 Å²	125	74%	0.741	65%	0.651	S	S	*	*			trans	-132.3	109.9	166.3	62	0	0	0	0	111.5	K556	K556-S558 PolarHBondContact O-N 3.46Å
559	E	26.4	Very low	32.3	Very low	192 Å²	192	120 Å²	120	90%	0.897	64%	0.636	S	S	*	*			trans	74.3	145.9	155.7	-49.8	-154	133.5	0	0	120.6	S561	E559-S561 PolarHBondContact O-N 3.37Å
560	K	24.7	Very low	33.5	Very low	207 Å²	207	117.7 Å²	117.7	90%	0.9	62%	0.621	S	S	*	*			trans	-88.3	97.7	-168	-61.5	160.1	179.6	167.7	0	110.9
561	S	27.4	Very low	34.7	Very low	102 Å²	102	112.2 Å²	112.2	71%	0.713	59%	0.592	S	S	*	*			trans	-101.3	84.2	168.4	58.4	0	0	0	0	111.5	E559 Q563	E559-S561 PolarHBondContact O-N 3.37Å; S561-Q563 VanDerWaalsContact C-N 3.25Å; S561-Q563 PolarHBondContact O-N 2.98Å
562	T	26	Very low	36	Very low	139 Å²	139	107.5 Å²	107.5	85%	0.853	57%	0.565	S	S	*	*			trans	-78.9	69.2	175.2	53	0	0	0	0	111.6
563	Q	32.9	Very low	37.2	Very low	172 Å²	172	108.1 Å²	108.1	80%	0.804	56%	0.557	S	S	*	*	S	Bend	trans	-144.1	145.5	173.8	-103.9	171.2	-0.7	0	0	111.4	S561 T565	S561-Q563 VanDerWaalsContact C-N 3.25Å; S561-Q563 PolarHBondContact O-N 2.98Å; Q563-T565 PolarHBondContact O-N 2.8Å
564	T	31.8	Very low	38.2	Very low	143 Å²	143	107.3 Å²	107.3	88%	0.877	55%	0.545	S	S	*	.			trans	-72.1	85.2	-173.2	-20.1	0	0	0	0	111.3
565	T	41.7	Very low	39.4	Very low	46 Å²	46	99.6 Å²	99.6	28%	0.282	51%	0.509	S	S	.	.			trans	-70.1	128	171.7	-55.1	0	0	0	0	109.6	Q563 E569	Q563-T565 PolarHBondContact O-N 2.8Å; T565-E569 HydrophobicContact CG2-CB 4.09Å; T565-E569 HydrophobicContact CG2-CG 4.13Å
566	N	51.1	Low	40	Very low	79 Å²	79	96.8 Å²	96.8	42%	0.422	50%	0.495	S	S	.	.			trans	-65.7	145.4	-178	-174.6	-24.3	0	0	0	110.2	I568 E569 Y570	N566-I568 PolarHBondContact O-N 3.07Å; N566-I568 PolarHBondContact OD1-N 2.62Å; N566-E569 HydrophobicContact CB-CB 3.95Å; N566-E569 CarbonylContact O-C 3.52Å; N566-E569 WeakPolarHBondContact O-CA 3.46Å; N566-E569 WeakPolarHBondContact O-CB 3.39Å; N566-E569 PolarHBondContact O-N 2.9Å; N566-Y570 PolarHBondContact O-N 3.18Å
567	L	50.6	Low	40.5	Very low	14 Å²	14	92.1 Å²	92.1	7%	0.073	48%	0.478	C	S	.	.	H	α-helix	trans	-60.1	-34.9	175.5	-177.7	56.7	0	0	0	112	E569 Y570 I571 L603 I612 I618	L567-E569 VanDerWaalsContact C-N 3.29Å; L567-E569 PolarHBondContact O-N 3.1Å; L567-Y570 HydrophobicContact CD1-CD1 4.4Å; L567-Y570 PolarHBondContact O-N 3.44Å; L567-I571 HydrophobicContact CD1-CD1 4.17Å; L567-I571 HydrophobicContact CD1-CG1 4.27Å; L567-I571 HydrophobicContact CG-CD1 3.98Å; L567-I571 WeakPolarHBondContact O-CB 3.38Å; L567-I571 VanDerWaalsContact O-CG1 3.3Å; L567-I571 WeakPolarHBondContact O-CG1 3.39Å; L567-I571 PolarHBondContact O-N 3.24Å; L567-L603 HydrophobicContact CD1-CD1 4.15Å; L567-L603 HydrophobicContact CD1-CD2 3.96Å; L567-I612 HydrophobicContact CD1-CD1 4.4Å; L567-I612 HydrophobicContact CD2-CB 4.19Å; L567-I612 HydrophobicContact CD2-CD1 4.05Å; L567-I612 HydrophobicContact CD2-CG1 3.95Å; L567-I612 HydrophobicContact CD2-CG2 3.43Å; L567-I612 VanDerWaalsContact CD2-CG2 3.43Å; L567-I618 HydrophobicContact CD2-CD1 3.53Å; L567-I618 HydrophobicContact CD2-CG1 4.33Å; L567-I618 HydrophobicContact CG-CD1 4.08Å
568	I	51.4	Low	41	Very low	22 Å²	22	87.2 Å²	87.2	11%	0.113	46%	0.458	C	S	.	.	H	α-helix	trans	-58.5	-44.8	170.5	-56.2	157.9	0	0	0	110.1	N566 I571 H572 M593 Y621	N566-I568 PolarHBondContact O-N 3.07Å; N566-I568 PolarHBondContact OD1-N 2.62Å; I568-I571 PolarHBondContact O-N 2.98Å; I568-H572 WeakPolarHBondContact O-CB 3.37Å; I568-H572 PolarHBondContact O-CD2 3.19Å; I568-H572 VanDerWaalsContact O-CG 3.31Å; I568-H572 PolarHBondContact O-N 3.17Å; I568-M593 HydrophobicContact CG2-CE 3.93Å; I568-Y621 HydrophobicContact CD1-CD2 4.28Å; I568-Y621 HydrophobicContact CD1-CE2 3.56Å; I568-Y621 HydrophobicContact CG1-CD2 4.1Å; I568-Y621 HydrophobicContact CG1-CE2 3.89Å; I568-Y621 HydrophobicContact CG2-CD2 4.07Å; I568-Y621 HydrophobicContact CG2-CE2 4.01Å
569	E	49.1	Very low	41.5	Very low	78 Å²	78	86.9 Å²	86.9	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-70.6	-31.6	-178.7	-165.7	-160.6	147.8	0	0	112	T565 N566 L567 K573	T565-E569 HydrophobicContact CG2-CB 4.09Å; T565-E569 HydrophobicContact CG2-CG 4.13Å; N566-E569 HydrophobicContact CB-CB 3.95Å; N566-E569 CarbonylContact O-C 3.52Å; N566-E569 WeakPolarHBondContact O-CA 3.46Å; N566-E569 WeakPolarHBondContact O-CB 3.39Å; N566-E569 PolarHBondContact O-N 2.9Å; L567-E569 VanDerWaalsContact C-N 3.29Å; L567-E569 PolarHBondContact O-N 3.1Å; E569-K573 WeakPolarHBondContact O-CB 3.31Å; E569-K573 WeakPolarHBondContact O-CG 3.27Å; E569-K573 PolarHBondContact O-N 2.9Å; E569-K573 IonicContact OE1-NZ 2.57Å; E569-K573 PolarHBondContact OE1-NZ 2.96Å
570	Y	52.2	Low	41.7	Very low	39 Å²	39	80.4 Å²	80.4	15%	0.153	42%	0.424	C	S	.	.	H	α-helix	trans	-70.1	-45.8	172.3	-175.5	-121.7	0	0	0	111.9	N566 L567 H572 K573 Q574 L603 N604 F610	N566-Y570 PolarHBondContact O-N 3.18Å; L567-Y570 HydrophobicContact CD1-CD1 4.4Å; L567-Y570 PolarHBondContact O-N 3.44Å; Y570-H572 VanDerWaalsContact C-N 3.32Å; Y570-H572 PolarHBondContact O-N 3.46Å; Y570-K573 PolarHBondContact O-N 3.43Å; Y570-K573 VanDerWaalsContact O-N 3.15Å; Y570-Q574 HydrophobicContact CE1-CG 4.37Å; Y570-Q574 HydrophobicContact CE2-CG 4.15Å; Y570-Q574 PolarHBondContact O-N 3.42Å; Y570-Q574 PolarHBondContact OH-NE2 3.03Å; Y570-L603 HydrophobicContact CD1-CD2 4.33Å; Y570-N604 PolarHBondContact OH-O 3.36Å; Y570-F610 HydrophobicContact CD1-CE1 4.05Å; Y570-F610 HydrophobicContact CD1-CE2 4.16Å; Y570-F610 AromaticContact CD1-CZ 3.59Å; Y570-F610 HydrophobicContact CD1-CZ 3.59Å; Y570-F610 HydrophobicContact CD2-CE1 4.22Å; Y570-F610 AromaticContact CD2-CZ 3.69Å; Y570-F610 HydrophobicContact CD2-CZ 3.69Å; Y570-F610 HydrophobicContact CE1-CE2 4.08Å; Y570-F610 AromaticContact CE1-CZ 3.85Å; Y570-F610 HydrophobicContact CE1-CZ 3.85Å; Y570-F610 AromaticContact CE2-CZ 3.98Å; Y570-F610 HydrophobicContact CE2-CZ 3.98Å; Y570-F610 AromaticContact CG-CE1 3.77Å; Y570-F610 HydrophobicContact CG-CE1 3.77Å; Y570-F610 HydrophobicContact CG-CE2 4.48Å; Y570-F610 AromaticContact CG-CZ 3.5Å; Y570-F610 HydrophobicContact CG-CZ 3.5Å
571	I	54.7	Low	42.1	Very low	5 Å²	5	78.4 Å²	78.4	3%	0.026	42%	0.418	C	S	.	.	H	α-helix	trans	-61.8	-42.3	174.1	-67.1	164.6	0	0	0	110.2	L567 I568 K573 Q574 I575 L603 I618 F622	L567-I571 HydrophobicContact CD1-CD1 4.17Å; L567-I571 HydrophobicContact CD1-CG1 4.27Å; L567-I571 HydrophobicContact CG-CD1 3.98Å; L567-I571 WeakPolarHBondContact O-CB 3.38Å; L567-I571 VanDerWaalsContact O-CG1 3.3Å; L567-I571 WeakPolarHBondContact O-CG1 3.39Å; L567-I571 PolarHBondContact O-N 3.24Å; I568-I571 PolarHBondContact O-N 2.98Å; I571-K573 PolarHBondContact O-N 3.14Å; I571-Q574 PolarHBondContact O-N 3.21Å; I571-I575 HydrophobicContact CG2-CD1 3.61Å; I571-I575 HydrophobicContact CG2-CG1 4.17Å; I571-I575 WeakPolarHBondContact O-CB 3.35Å; I571-I575 WeakPolarHBondContact O-CG1 3.46Å; I571-I575 PolarHBondContact O-N 3.45Å; I571-L603 HydrophobicContact CD1-CD2 4.05Å; I571-L603 HydrophobicContact CG1-CD2 3.55Å; I571-I618 HydrophobicContact CD1-CD1 3.7Å; I571-I618 HydrophobicContact CD1-CG1 3.72Å; I571-F622 HydrophobicContact CD1-CE2 4.3Å; I571-F622 HydrophobicContact CG2-CE1 4.27Å; I571-F622 HydrophobicContact CG2-CE2 3.78Å; I571-F622 HydrophobicContact CG2-CZ 3.4Å
572	H	54.2	Low	42.3	Very low	46 Å²	46	80.5 Å²	80.5	21%	0.213	42%	0.42	C	S	.	.	H	α-helix	trans	-55.4	-49.1	171.3	-84	-144	0	0	0	111.5	I568 Y570 Q574 I575 I576 M593	I568-H572 WeakPolarHBondContact O-CB 3.37Å; I568-H572 PolarHBondContact O-CD2 3.19Å; I568-H572 VanDerWaalsContact O-CG 3.31Å; I568-H572 PolarHBondContact O-N 3.17Å; Y570-H572 VanDerWaalsContact C-N 3.32Å; Y570-H572 PolarHBondContact O-N 3.46Å; H572-Q574 VanDerWaalsContact C-N 3.29Å; H572-Q574 PolarHBondContact O-N 2.9Å; H572-I575 PolarHBondContact O-N 3.03Å; H572-I576 HydrophobicContact CB-CD1 4.43Å; H572-I576 VanDerWaalsContact O-CB 3.23Å; H572-I576 WeakPolarHBondContact O-CB 3.48Å; H572-I576 WeakPolarHBondContact O-CD1 3.43Å; H572-I576 WeakPolarHBondContact O-CG1 3.26Å; H572-I576 PolarHBondContact O-N 2.91Å; H572-M593 VanDerWaalsContact CE1-CE 3.46Å; H572-M593 WeakPolarHBondContact CE1-CE 3.46Å; H572-M593 VanDerWaalsContact NE2-CE 3.28Å; H572-M593 WeakPolarHBondContact NE2-CE 3.36Å
573	K	50.4	Low	42.4	Very low	97 Å²	97	78.4 Å²	78.4	42%	0.422	41%	0.408	S	S	.	.	H	α-helix	trans	-61.1	-36.3	178.3	-79.3	163.9	172.3	166	0	112.4	E569 Y570 I571 N577	E569-K573 WeakPolarHBondContact O-CB 3.31Å; E569-K573 WeakPolarHBondContact O-CG 3.27Å; E569-K573 PolarHBondContact O-N 2.9Å; E569-K573 IonicContact OE1-NZ 2.57Å; E569-K573 PolarHBondContact OE1-NZ 2.96Å; Y570-K573 PolarHBondContact O-N 3.43Å; Y570-K573 VanDerWaalsContact O-N 3.15Å; I571-K573 PolarHBondContact O-N 3.14Å; K573-N577 WeakPolarHBondContact O-CB 3.31Å; K573-N577 PolarHBondContact O-N 3.34Å; K573-N577 PolarHBondContact O-ND2 2.9Å
574	Q	50.2	Low	42.1	Very low	64 Å²	64	78.6 Å²	78.6	30%	0.299	41%	0.414	S	S	.	.	H	α-helix	trans	-74.1	-40.3	175.3	-64.5	-64.4	11.3	0	0	113.2	Y570 I571 H572 N577 L578	Y570-Q574 HydrophobicContact CE1-CG 4.37Å; Y570-Q574 HydrophobicContact CE2-CG 4.15Å; Y570-Q574 PolarHBondContact O-N 3.42Å; Y570-Q574 PolarHBondContact OH-NE2 3.03Å; I571-Q574 PolarHBondContact O-N 3.21Å; H572-Q574 VanDerWaalsContact C-N 3.29Å; H572-Q574 PolarHBondContact O-N 2.9Å; Q574-N577 PolarHBondContact O-N 3Å; Q574-L578 WeakPolarHBondContact O-CG 3.49Å; Q574-L578 PolarHBondContact O-N 3.19Å
575	I	50.1	Low	42	Very low	22 Å²	22	76.4 Å²	76.4	11%	0.113	40%	0.401	C	S	.	.	H	α-helix	trans	-64.8	-40	173.7	-69.1	174.6	0	0	0	110.9	I571 H572 L578 N579 L596 F622	I571-I575 HydrophobicContact CG2-CD1 3.61Å; I571-I575 HydrophobicContact CG2-CG1 4.17Å; I571-I575 WeakPolarHBondContact O-CB 3.35Å; I571-I575 WeakPolarHBondContact O-CG1 3.46Å; I571-I575 PolarHBondContact O-N 3.45Å; H572-I575 PolarHBondContact O-N 3.03Å; I575-L578 PolarHBondContact O-N 3.15Å; I575-N579 WeakPolarHBondContact O-CB 3.33Å; I575-N579 VanDerWaalsContact O-CG 3.32Å; I575-N579 PolarHBondContact O-N 2.78Å; I575-N579 PolarHBondContact O-ND2 3.01Å; I575-L596 HydrophobicContact CD1-CD1 4.01Å; I575-L596 HydrophobicContact CG2-CD2 3.9Å; I575-F622 HydrophobicContact CD1-CE1 3.76Å; I575-F622 HydrophobicContact CD1-CZ 3.77Å
576	I	41.5	Very low	41.2	Very low	86 Å²	86	84.1 Å²	84.1	44%	0.441	43%	0.434	S	S	.	.	H	α-helix	trans	-64.2	-39	174.1	-70.4	164.8	0	0	0	110.7	H572 N579 S580	H572-I576 HydrophobicContact CB-CD1 4.43Å; H572-I576 VanDerWaalsContact O-CB 3.23Å; H572-I576 WeakPolarHBondContact O-CB 3.48Å; H572-I576 WeakPolarHBondContact O-CD1 3.43Å; H572-I576 WeakPolarHBondContact O-CG1 3.26Å; H572-I576 PolarHBondContact O-N 2.91Å; I576-N579 PolarHBondContact O-N 2.81Å; I576-S580 WeakPolarHBondContact O-CB 3.3Å; I576-S580 PolarHBondContact O-N 3.01Å; I576-S580 PolarHBondContact O-OG 3.28Å
577	N	35.5	Very low	40	Very low	77 Å²	77	85.7 Å²	85.7	41%	0.412	45%	0.446	S	S	.	.	H	α-helix	trans	-66.1	-41.2	173.3	-81	-18.1	0	0	0	113	K573 Q574 N579 S580 H581	K573-N577 WeakPolarHBondContact O-CB 3.31Å; K573-N577 PolarHBondContact O-N 3.34Å; K573-N577 PolarHBondContact O-ND2 2.9Å; Q574-N577 PolarHBondContact O-N 3Å; N577-N579 VanDerWaalsContact C-N 3.26Å; N577-N579 PolarHBondContact O-N 3.45Å; N577-S580 PolarHBondContact O-N 3.28Å; N577-S580 PolarHBondContact O-OG 3.14Å; N577-H581 PolarHBondContact O-N 3.29Å
578	L	34.9	Very low	38.8	Very low	96 Å²	96	93.6 Å²	93.6	50%	0.503	48%	0.483	S	S	.	.	H	α-helix	trans	-62.3	-34.9	175.6	-72.4	165.8	0	0	0	111.8	L549 Q574 I575	L549-L578 HydrophobicContact CD1-CD2 4.24Å; L549-L578 HydrophobicContact CD2-CD2 4.37Å; Q574-L578 WeakPolarHBondContact O-CG 3.49Å; Q574-L578 PolarHBondContact O-N 3.19Å; I575-L578 PolarHBondContact O-N 3.15Å
579	N	34.1	Very low	37.4	Very low	99 Å²	99	98.6 Å²	98.6	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-82.1	-37.7	177	-68.3	-16.7	0	0	0	113.1	I575 I576 N577 H581 N582	I575-N579 WeakPolarHBondContact O-CB 3.33Å; I575-N579 VanDerWaalsContact O-CG 3.32Å; I575-N579 PolarHBondContact O-N 2.78Å; I575-N579 PolarHBondContact O-ND2 3.01Å; I576-N579 PolarHBondContact O-N 2.81Å; N577-N579 VanDerWaalsContact C-N 3.26Å; N577-N579 PolarHBondContact O-N 3.45Å; N579-H581 PolarHBondContact O-N 3.17Å; N579-N582 PolarHBondContact O-N 3.14Å
580	S	32	Very low	36.1	Very low	56 Å²	56	99.4 Å²	99.4	39%	0.392	53%	0.531	S	S	.	.	H	α-helix	trans	-70.2	-19.5	-176.9	71.5	0	0	0	0	113.6	I576 N577 N582	I576-S580 WeakPolarHBondContact O-CB 3.3Å; I576-S580 PolarHBondContact O-N 3.01Å; I576-S580 PolarHBondContact O-OG 3.28Å; N577-S580 PolarHBondContact O-N 3.28Å; N577-S580 PolarHBondContact O-OG 3.14Å; S580-N582 PolarHBondContact O-N 3.42Å
581	H	33.7	Very low	34.8	Very low	165 Å²	165	104 Å²	104	76%	0.764	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	0.9	170.4	-76.5	21.2	0	0	0	114.1	N577 N579	N577-H581 PolarHBondContact O-N 3.29Å; N579-H581 PolarHBondContact O-N 3.17Å
582	N	30.7	Very low	33.3	Very low	145 Å²	145	113.2 Å²	113.2	78%	0.775	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	-18.2	174.9	-88.9	-41.3	0	0	0	115.5	N579 S580	N579-N582 PolarHBondContact O-N 3.14Å; S580-N582 PolarHBondContact O-N 3.42Å
583	T	28.5	Very low	32	Very low	96 Å²	96	114.4 Å²	114.4	59%	0.589	61%	0.609	S	S	*	*			trans	-145.6	128.5	178.9	48.2	0	0	0	0	114.3	V585	T583-V585 PolarHBondContact O-N 3.28Å; T583-V585 VanDerWaalsContact O-N 3.1Å
584	N	25.8	Very low	30.7	Very low	176 Å²	176	120 Å²	120	94%	0.941	63%	0.627	S	S	*	*			trans	-75.1	89.9	168.3	-77.4	-27.3	0	0	0	110.3
585	V	29.2	Very low	29.9	Very low	97 Å²	97	125.8 Å²	125.8	59%	0.588	66%	0.655	S	S	*	*			trans	-136.9	106.8	171.9	-173.3	0	0	0	0	111	T583 T587	T583-V585 PolarHBondContact O-N 3.28Å; T583-V585 VanDerWaalsContact O-N 3.1Å; V585-T587 HydrophobicContact CG1-CG2 3.81Å; V585-T587 WeakPolarHBondContact CG1-OG1 3.5Å; V585-T587 PolarHBondContact O-N 2.86Å
586	E	24.9	Very low	29.5	Very low	208 Å²	208	127.2 Å²	127.2	97%	0.972	66%	0.662	S	S	*	*			trans	-79.5	86.3	169.6	-66.2	-173.7	138.3	0	0	110.5
587	T	26.9	Very low	30	Very low	112 Å²	112	127.8 Å²	127.8	69%	0.687	67%	0.674	S	S	*	*			trans	-135.7	141.3	171.6	50.1	0	0	0	0	112	V585	V585-T587 HydrophobicContact CG1-CG2 3.81Å; V585-T587 WeakPolarHBondContact CG1-OG1 3.5Å; V585-T587 PolarHBondContact O-N 2.86Å
588	E	24.1	Very low	30.9	Very low	180 Å²	180	125.7 Å²	125.7	84%	0.841	67%	0.665	S	S	*	*			trans	-63.2	133.1	-171.2	-61.4	-177.6	121	0	0	113.4	S590	E588-S590 PolarHBondContact O-N 3.18Å
589	P	23.6	Very low	32.4	Very low	127 Å²	127	126.1 Å²	126.1	83%	0.825	66%	0.664	S	S	*	*			trans	-78.7	80.9	-177	32.5	-36	0	0	0	111.6
590	S	22	Very low	33.8	Very low	94 Å²	94	122.8 Å²	122.8	66%	0.657	65%	0.65	S	S	*	*			trans	-121.4	125.1	170.6	74.1	0	0	0	0	112.1	E588	E588-S590 PolarHBondContact O-N 3.18Å
591	V	23.6	Very low	35.4	Very low	135 Å²	135	120.5 Å²	120.5	82%	0.818	63%	0.634	S	S	*	*	S	Bend	trans	59.3	63.5	166.3	-158.2	0	0	0	0	116.4
592	F	23.9	Very low	36.8	Very low	199 Å²	199	117.3 Å²	117.3	87%	0.873	62%	0.616	S	S	*	*			trans	-131.6	105.1	146.9	-123.9	-93.4	0	0	0	108.6
593	M	26.1	Very low	38.4	Very low	71 Å²	71	110.6 Å²	110.6	35%	0.35	58%	0.58	S	S	.	*			trans	-150.2	33.5	-166.7	-124.3	-61.2	-139.2	0	0	111.8	I568 H572 Y621	I568-M593 HydrophobicContact CG2-CE 3.93Å; H572-M593 VanDerWaalsContact CE1-CE 3.46Å; H572-M593 WeakPolarHBondContact CE1-CE 3.46Å; H572-M593 VanDerWaalsContact NE2-CE 3.28Å; H572-M593 WeakPolarHBondContact NE2-CE 3.36Å; M593-Y621 HydrophobicContact CE-CD1 3.52Å; M593-Y621 HydrophobicContact CE-CD2 4.16Å; M593-Y621 HydrophobicContact CE-CE1 3.22Å; M593-Y621 HydrophobicContact CE-CE2 3.94Å; M593-Y621 HydrophobicContact CE-CG 3.99Å; M593-Y621 VanDerWaalsContact CE-CZ 3.46Å; M593-Y621 HydrophobicContact SD-CD1 3.62Å; M593-Y621 HydrophobicContact SD-CE1 3.74Å; M593-Y621 HydrophobicContact SD-CG 4.34Å
594	R	24.6	Very low	40.1	Very low	214 Å²	214	107.5 Å²	107.5	81%	0.808	56%	0.56	S	S	*	*	S	Bend	trans	-135.5	151.3	170.9	-70	-177.4	173.5	178.5	-4.3	107	L596	R594-L596 PolarHBondContact O-N 3.16Å
595	E	32.9	Very low	41.8	Very low	187 Å²	187	99.2 Å²	99.2	87%	0.874	52%	0.515	S	S	*	.			trans	64.5	34.5	172.7	-62.5	163.6	-142.9	0	0	116.2	S597	E595-S597 VanDerWaalsContact C-N 3.31Å; E595-S597 PolarHBondContact O-N 3.26Å
596	L	41.9	Very low	43	Very low	52 Å²	52	100.3 Å²	100.3	27%	0.272	51%	0.513	S	S	.	.			trans	-71.9	90.2	158.9	-80.9	171.9	0	0	0	109.7	I575 R594 C598 F622	I575-L596 HydrophobicContact CD1-CD1 4.01Å; I575-L596 HydrophobicContact CG2-CD2 3.9Å; R594-L596 PolarHBondContact O-N 3.16Å; L596-C598 PolarHBondContact O-N 2.77Å; L596-F622 HydrophobicContact CB-CE1 4.43Å; L596-F622 HydrophobicContact CD1-CE1 4.47Å; L596-F622 HydrophobicContact CD1-CZ 4.5Å
597	S	51.9	Low	43.7	Very low	98 Å²	98	98.1 Å²	98.1	69%	0.685	51%	0.508	S	S	*	.			trans	-69.4	31.7	175.5	53.9	0	0	0	0	113.9	E595 Q599	E595-S597 VanDerWaalsContact C-N 3.31Å; E595-S597 PolarHBondContact O-N 3.26Å; S597-Q599 PolarHBondContact O-N 3.15Å
598	C	54.5	Low	44.5	Very low	32 Å²	32	96.4 Å²	96.4	22%	0.216	50%	0.497	C	S	.	.			trans	-70	86.5	-177.3	-65.1	0	0	0	0	111.2	L596 A600 F622	L596-C598 PolarHBondContact O-N 2.77Å; C598-A600 PolarHBondContact O-N 3.42Å; C598-F622 HydrophobicContact CB-CD1 3.93Å; C598-F622 HydrophobicContact CB-CE1 3.95Å
599	Q	66.5	Low	45.3	Very low	106 Å²	106	95.9 Å²	95.9	50%	0.495	49%	0.492	S	S	.	.	S	Bend	trans	-60.6	-18.5	170.2	-68	-171.9	6.4	0	0	112.9	S597 K626 F627	S597-Q599 PolarHBondContact O-N 3.15Å; Q599-K626 HydrophobicContact CB-CD 3.98Å; Q599-K626 HydrophobicContact CG-CD 3.96Å; Q599-K626 WeakPolarHBondContact O-CA 3.33Å; Q599-K626 WeakPolarHBondContact O-CB 3.48Å; Q599-K626 PolarHBondContact O-N 3.4Å; Q599-F627 PolarHBondContact O-N 2.84Å
600	A	62.1	Low	46.4	Very low	28 Å²	28	91 Å²	91	23%	0.231	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140	178.5	0	0	0	0	0	112.3	F546 C598 Y602 F627	F546-A600 HydrophobicContact CZ-CB 4.05Å; C598-A600 PolarHBondContact O-N 3.42Å; A600-Y602 HydrophobicContact CB-CE2 3.76Å; A600-F627 CarbonylContact C-O 3.54Å; A600-F627 VanDerWaalsContact CA-O 3.27Å; A600-F627 WeakPolarHBondContact CA-O 3.19Å; A600-F627 HydrophobicContact CB-CB 3.83Å; A600-F627 HydrophobicContact CB-CD2 4.26Å; A600-F627 HydrophobicContact CB-CG 4.45Å
601	V	66.1	Low	47.3	Very low	9 Å²	9	88.7 Å²	88.7	6%	0.055	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	131.2	177.4	169.1	0	0	0	0	109.5	L603 F622 L625 F627 L628 T629	V601-L603 HydrophobicContact CG1-CD2 4.27Å; V601-L603 HydrophobicContact CG1-CG 4.26Å; V601-F622 HydrophobicContact CG2-CD1 4.04Å; V601-F622 HydrophobicContact CG2-CE1 4.24Å; V601-F622 HydrophobicContact CG2-CG 4.45Å; V601-L625 HydrophobicContact CB-CD1 3.9Å; V601-L625 HydrophobicContact CB-CD2 4.37Å; V601-L625 HydrophobicContact CG2-CD1 3.72Å; V601-L625 HydrophobicContact CG2-CD2 4.32Å; V601-F627 PolarHBondContact N-O 2.96Å; V601-L628 HydrophobicContact CB-CD1 4.46Å; V601-L628 HydrophobicContact CG1-CD1 4.32Å; V601-T629 PolarHBondContact O-N 3.15Å
602	Y	63	Low	48.5	Very low	98 Å²	98	82.4 Å²	82.4	38%	0.384	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	105.8	-179.4	-66.9	-98.6	0	0	0	109.6	F546 A600 T629	F546-Y602 AromaticContact CD1-CE2 3.94Å; F546-Y602 HydrophobicContact CD1-CE2 3.94Å; F546-Y602 AromaticContact CD1-CZ 3.83Å; F546-Y602 AromaticContact CE1-CD2 3.89Å; F546-Y602 HydrophobicContact CE1-CD2 3.89Å; F546-Y602 HydrophobicContact CE1-CE1 4.43Å; F546-Y602 AromaticContact CE1-CE2 3.11Å; F546-Y602 HydrophobicContact CE1-CE2 3.11Å; F546-Y602 AromaticContact CE1-CZ 3.45Å; F546-Y602 VanDerWaalsContact CE1-CZ 3.45Å; F546-Y602 WeakPolarHBondContact CE1-OH 3.3Å; F546-Y602 HydrophobicContact CE2-CE2 4.45Å; F546-Y602 HydrophobicContact CZ-CD2 4.48Å; F546-Y602 AromaticContact CZ-CE2 3.44Å; F546-Y602 HydrophobicContact CZ-CE2 3.44Å; F546-Y602 VanDerWaalsContact CZ-CE2 3.44Å; F546-Y602 AromaticContact CZ-CZ 3.81Å; A600-Y602 HydrophobicContact CB-CE2 3.76Å; Y602-T629 HydrophobicContact CD1-CG2 3.8Å; Y602-T629 WeakPolarHBondContact CD1-OG1 3.26Å; Y602-T629 HydrophobicContact CE1-CG2 4.19Å; Y602-T629 WeakPolarHBondContact CE1-OG1 3.39Å
603	L	65.4	Low	49.6	Very low	3 Å²	3	79.1 Å²	79.1	2%	0.016	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129.5	172.3	-58.9	177.3	0	0	0	109	L567 Y570 I571 V601 F615 T629 I630 N631	L567-L603 HydrophobicContact CD1-CD1 4.15Å; L567-L603 HydrophobicContact CD1-CD2 3.96Å; Y570-L603 HydrophobicContact CD1-CD2 4.33Å; I571-L603 HydrophobicContact CD1-CD2 4.05Å; I571-L603 HydrophobicContact CG1-CD2 3.55Å; V601-L603 HydrophobicContact CG1-CD2 4.27Å; V601-L603 HydrophobicContact CG1-CG 4.26Å; L603-F615 HydrophobicContact CD1-CZ 4.17Å; L603-T629 PolarHBondContact N-O 2.9Å; L603-I630 HydrophobicContact CB-CG2 4.3Å; L603-I630 HydrophobicContact CD1-CG1 4.43Å; L603-I630 HydrophobicContact CD1-CG2 4.37Å; L603-N631 PolarHBondContact O-N 2.83Å
604	N	63.5	Low	50.8	Low	32 Å²	32	78.8 Å²	78.8	17%	0.171	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.1	161.3	-170.8	-28.2	0	0	0	108.6	Y570 F606 N631	Y570-N604 PolarHBondContact OH-O 3.36Å; N604-F606 HydrophobicContact CB-CE2 4.43Å; N604-F606 VanDerWaalsContact ND2-CE2 3.26Å; N604-F606 WeakPolarHBondContact ND2-CE2 3.21Å; N604-F606 WeakPolarHBondContact ND2-CZ 3.35Å; N604-F606 WeakPolarHBondContact OD1-CD2 3.44Å; N604-F606 WeakPolarHBondContact OD1-CG 3.46Å; N604-F606 PolarHBondContact OD1-N 3.03Å; N604-N631 CarbonylContact C-O 3.6Å; N604-N631 WeakPolarHBondContact CA-O 3.48Å; N604-N631 HydrophobicContact CB-CB 4.25Å
605	C	61.8	Low	52.5	Low	1 Å²	1	68.6 Å²	68.6	1%	0.007	37%	0.368	C	S	.	.			trans	-107.6	9.6	-169.1	-68.3	0	0	0	0	115	N607 V608 F610 N631 E632 C633	C605-N607 PolarHBondContact O-N 3.37Å; C605-V608 PolarHBondContact O-N 3.49Å; C605-F610 HydrophobicContact CB-CD2 3.8Å; C605-F610 HydrophobicContact CB-CE2 4.07Å; C605-F610 WeakPolarHBondContact SG-CD2 3.3Å; C605-N631 PolarHBondContact N-O 3.18Å; C605-E632 WeakPolarHBondContact CB-O 3.28Å; C605-C633 VanDerWaalsContact CB-CA 3.48Å; C605-C633 HydrophobicContact CB-CB 3.67Å; C605-C633 WeakPolarHBondContact CB-SG 3.49Å; C605-C633 WeakPolarHBondContact SG-CB 3.41Å; C605-C633 CovalentContact SG-SG 2.03Å; C605-C633 PolarHBondContact SG-SG 3.37Å
606	F	54.4	Low	53.6	Low	121 Å²	121	61 Å²	61	53%	0.531	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-2.8	86.3	174.9	-71.5	-57.9	0	0	0	116.6	N604 V608 E632	N604-F606 HydrophobicContact CB-CE2 4.43Å; N604-F606 VanDerWaalsContact ND2-CE2 3.26Å; N604-F606 WeakPolarHBondContact ND2-CE2 3.21Å; N604-F606 WeakPolarHBondContact ND2-CZ 3.35Å; N604-F606 WeakPolarHBondContact OD1-CD2 3.44Å; N604-F606 WeakPolarHBondContact OD1-CG 3.46Å; N604-F606 PolarHBondContact OD1-N 3.03Å; F606-V608 PolarHBondContact O-N 3.21Å; F606-E632 WeakPolarHBondContact CD1-OE2 3.28Å; F606-E632 WeakPolarHBondContact CE1-OE1 3.49Å
607	N	40	Very low	54.3	Low	162 Å²	162	60.3 Å²	60.3	87%	0.866	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	4.4	179.5	-81.8	-75.3	0	0	0	117.9	C605 K609	C605-N607 PolarHBondContact O-N 3.37Å; N607-K609 PolarHBondContact O-N 3.27Å
608	V	42.9	Very low	54.6	Low	76 Å²	76	55.7 Å²	55.7	46%	0.461	30%	0.303	S	S	.	.			trans	-82.3	118	171.6	-177.6	0	0	0	0	108.8	C605 F606 F610	C605-V608 PolarHBondContact O-N 3.49Å; F606-V608 PolarHBondContact O-N 3.21Å; V608-F610 HydrophobicContact CB-CD2 3.7Å; V608-F610 HydrophobicContact CB-CE2 3.5Å; V608-F610 HydrophobicContact CB-CZ 4.16Å; V608-F610 HydrophobicContact CG1-CD1 4.15Å; V608-F610 HydrophobicContact CG1-CD2 3.57Å; V608-F610 HydrophobicContact CG1-CE1 4.07Å; V608-F610 HydrophobicContact CG1-CE2 3.5Å; V608-F610 VanDerWaalsContact CG1-CE2 3.5Å; V608-F610 HydrophobicContact CG1-CG 3.92Å; V608-F610 HydrophobicContact CG1-CZ 3.76Å; V608-F610 HydrophobicContact CG2-CE2 4.2Å; V608-F610 PolarHBondContact O-N 3.19Å
609	K	41.3	Very low	54.8	Low	168 Å²	168	54.5 Å²	54.5	73%	0.73	30%	0.295	S	S	*	.			trans	-71.7	72.3	165.6	-76.8	-167.3	169.3	-173.9	0	110.5	N607 G611 D634	N607-K609 PolarHBondContact O-N 3.27Å; K609-G611 PolarHBondContact O-N 3.26Å; K609-D634 WeakPolarHBondContact CE-OD2 3.29Å; K609-D634 IonicContact NZ-OD2 2.64Å
610	F	45.5	Very low	54.6	Low	24 Å²	24	53.9 Å²	53.9	11%	0.105	30%	0.299	C	S	.	.			trans	-60.8	107.6	161	-69.7	-77.7	0	0	0	107.7	Y570 C605 V608 I612	Y570-F610 HydrophobicContact CD1-CE1 4.05Å; Y570-F610 HydrophobicContact CD1-CE2 4.16Å; Y570-F610 AromaticContact CD1-CZ 3.59Å; Y570-F610 HydrophobicContact CD1-CZ 3.59Å; Y570-F610 HydrophobicContact CD2-CE1 4.22Å; Y570-F610 AromaticContact CD2-CZ 3.69Å; Y570-F610 HydrophobicContact CD2-CZ 3.69Å; Y570-F610 HydrophobicContact CE1-CE2 4.08Å; Y570-F610 AromaticContact CE1-CZ 3.85Å; Y570-F610 HydrophobicContact CE1-CZ 3.85Å; Y570-F610 AromaticContact CE2-CZ 3.98Å; Y570-F610 HydrophobicContact CE2-CZ 3.98Å; Y570-F610 AromaticContact CG-CE1 3.77Å; Y570-F610 HydrophobicContact CG-CE1 3.77Å; Y570-F610 HydrophobicContact CG-CE2 4.48Å; Y570-F610 AromaticContact CG-CZ 3.5Å; Y570-F610 HydrophobicContact CG-CZ 3.5Å; C605-F610 HydrophobicContact CB-CD2 3.8Å; C605-F610 HydrophobicContact CB-CE2 4.07Å; C605-F610 WeakPolarHBondContact SG-CD2 3.3Å; V608-F610 HydrophobicContact CB-CD2 3.7Å; V608-F610 HydrophobicContact CB-CE2 3.5Å; V608-F610 HydrophobicContact CB-CZ 4.16Å; V608-F610 HydrophobicContact CG1-CD1 4.15Å; V608-F610 HydrophobicContact CG1-CD2 3.57Å; V608-F610 HydrophobicContact CG1-CE1 4.07Å; V608-F610 HydrophobicContact CG1-CE2 3.5Å; V608-F610 VanDerWaalsContact CG1-CE2 3.5Å; V608-F610 HydrophobicContact CG1-CG 3.92Å; V608-F610 HydrophobicContact CG1-CZ 3.76Å; V608-F610 HydrophobicContact CG2-CE2 4.2Å; V608-F610 PolarHBondContact O-N 3.19Å; F610-I612 HydrophobicContact CB-CD1 4.34Å; F610-I612 HydrophobicContact CB-CG1 3.74Å; F610-I612 PolarHBondContact O-N 3.28Å
611	G	40.9	Very low	54.4	Low	47 Å²	47	56.6 Å²	56.6	49%	0.485	30%	0.304	S	S	.	.			trans	-66.1	93.3	151.6	0	0	0	0	0	106.5	K609 T613	K609-G611 PolarHBondContact O-N 3.26Å; G611-T613 PolarHBondContact O-N 3.04Å
612	I	50.1	Low	54.3	Low	3 Å²	3	56.2 Å²	56.2	2%	0.015	30%	0.301	C	S	.	.			trans	-74.7	71	172.1	-64.5	-176.3	0	0	0	106.6	L567 F610 N614 F615 C633 L635 D639	L567-I612 HydrophobicContact CD1-CD1 4.4Å; L567-I612 HydrophobicContact CD2-CB 4.19Å; L567-I612 HydrophobicContact CD2-CD1 4.05Å; L567-I612 HydrophobicContact CD2-CG1 3.95Å; L567-I612 HydrophobicContact CD2-CG2 3.43Å; L567-I612 VanDerWaalsContact CD2-CG2 3.43Å; F610-I612 HydrophobicContact CB-CD1 4.34Å; F610-I612 HydrophobicContact CB-CG1 3.74Å; F610-I612 PolarHBondContact O-N 3.28Å; I612-N614 PolarHBondContact O-N 3.49Å; I612-N614 VanDerWaalsContact O-N 3.14Å; I612-F615 HydrophobicContact CG2-CD2 3.53Å; I612-F615 HydrophobicContact CG2-CE2 3.62Å; I612-C633 HydrophobicContact CD1-CB 4.44Å; I612-L635 HydrophobicContact CD1-CD2 4Å; I612-D639 HydrophobicContact CB-CB 4.06Å; I612-D639 HydrophobicContact CG2-CB 4.17Å; I612-D639 VanDerWaalsContact O-CA 3.26Å; I612-D639 WeakPolarHBondContact O-CA 3.4Å; I612-D639 VanDerWaalsContact O-CB 3.28Å; I612-D639 WeakPolarHBondContact O-CB 3.43Å
613	T	46.5	Very low	54.4	Low	129 Å²	129	55.1 Å²	55.1	79%	0.791	31%	0.305	S	S	*	.			trans	-69.2	-15.4	-164.7	45	0	0	0	0	113.8	G611	G611-T613 PolarHBondContact O-N 3.04Å
614	N	51.5	Low	54.6	Low	64 Å²	64	61.3 Å²	61.3	34%	0.342	33%	0.332	S	S	.	.			trans	-162.6	127.6	159.7	-147.3	-30.8	0	0	0	112.8	I612 S616 S617	I612-N614 PolarHBondContact O-N 3.49Å; I612-N614 VanDerWaalsContact O-N 3.14Å; N614-S616 PolarHBondContact ND2-OG 3.27Å; N614-S616 VanDerWaalsContact ND2-OG 3.09Å; N614-S616 PolarHBondContact O-N 2.68Å; N614-S616 VanDerWaalsContact OD1-CB 3.29Å; N614-S616 WeakPolarHBondContact OD1-CB 3.35Å; N614-S616 PolarHBondContact OD1-N 2.58Å; N614-S616 PolarHBondContact OD1-OG 2.88Å; N614-S617 PolarHBondContact O-N 3.12Å
615	F	59.9	Low	54.8	Low	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-11.9	162.7	-102.7	-98.5	0	0	0	113	L603 I612 S617 I618 S619 L628 I630 D639 L640	L603-F615 HydrophobicContact CD1-CZ 4.17Å; I612-F615 HydrophobicContact CG2-CD2 3.53Å; I612-F615 HydrophobicContact CG2-CE2 3.62Å; F615-S617 PolarHBondContact O-N 3.15Å; F615-S617 VanDerWaalsContact O-N 3.1Å; F615-I618 HydrophobicContact CD1-CB 4.18Å; F615-I618 HydrophobicContact CD1-CD1 3.48Å; F615-I618 VanDerWaalsContact CD1-CD1 3.48Å; F615-I618 HydrophobicContact CD1-CG1 4.35Å; F615-I618 HydrophobicContact CD1-CG2 4.44Å; F615-I618 HydrophobicContact CE1-CD1 3.34Å; F615-I618 HydrophobicContact CG-CD1 4.13Å; F615-I618 HydrophobicContact CZ-CD1 3.93Å; F615-I618 WeakPolarHBondContact O-CA 3.35Å; F615-I618 WeakPolarHBondContact O-CB 3.46Å; F615-I618 PolarHBondContact O-N 2.9Å; F615-S619 PolarHBondContact O-N 3.09Å; F615-L628 HydrophobicContact CD1-CD2 4.39Å; F615-L628 HydrophobicContact CE1-CD1 4.23Å; F615-L628 HydrophobicContact CE1-CD2 3.56Å; F615-L628 HydrophobicContact CZ-CD2 4.21Å; F615-I630 HydrophobicContact CE2-CD1 4.31Å; F615-I630 HydrophobicContact CZ-CD1 3.67Å; F615-I630 HydrophobicContact CZ-CG1 4.46Å; F615-D639 WeakPolarHBondContact CD2-O 3.34Å; F615-D639 PolarHBondContact N-O 2.85Å; F615-L640 HydrophobicContact CD2-CD2 4.17Å; F615-L640 HydrophobicContact CE2-CD2 3.82Å; F615-L640 HydrophobicContact CZ-CD2 4.33Å
616	S	56.8	Low	55.5	Low	29 Å²	29	62.3 Å²	62.3	20%	0.203	34%	0.335	C	S	.	.	H	α-helix	trans	-64.5	-14.6	175.3	79.8	0	0	0	0	113.4	N614 S619 T620	N614-S616 PolarHBondContact ND2-OG 3.27Å; N614-S616 VanDerWaalsContact ND2-OG 3.09Å; N614-S616 PolarHBondContact O-N 2.68Å; N614-S616 VanDerWaalsContact OD1-CB 3.29Å; N614-S616 WeakPolarHBondContact OD1-CB 3.35Å; N614-S616 PolarHBondContact OD1-N 2.58Å; N614-S616 PolarHBondContact OD1-OG 2.88Å; S616-S619 WeakPolarHBondContact CA-OG 3.07Å; S616-S619 PolarHBondContact O-OG 3.15Å; S616-T620 PolarHBondContact O-OG1 3.33Å
617	S	55.8	Low	56.5	Low	36 Å²	36	60.2 Å²	60.2	25%	0.252	33%	0.326	S	S	.	.	H	α-helix	trans	-73	-31.6	168.3	-72.4	0	0	0	0	112.1	N614 F615 Y621	N614-S617 PolarHBondContact O-N 3.12Å; F615-S617 PolarHBondContact O-N 3.15Å; F615-S617 VanDerWaalsContact O-N 3.1Å; S617-Y621 WeakPolarHBondContact O-CD2 3.46Å
618	I	58.3	Low	58.2	Low	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-75.6	-47.4	-178.9	-72	170.2	0	0	0	110.4	L567 I571 F615 T620 Y621 F622 L625 L646	L567-I618 HydrophobicContact CD2-CD1 3.53Å; L567-I618 HydrophobicContact CD2-CG1 4.33Å; L567-I618 HydrophobicContact CG-CD1 4.08Å; I571-I618 HydrophobicContact CD1-CD1 3.7Å; I571-I618 HydrophobicContact CD1-CG1 3.72Å; F615-I618 HydrophobicContact CD1-CB 4.18Å; F615-I618 HydrophobicContact CD1-CD1 3.48Å; F615-I618 VanDerWaalsContact CD1-CD1 3.48Å; F615-I618 HydrophobicContact CD1-CG1 4.35Å; F615-I618 HydrophobicContact CD1-CG2 4.44Å; F615-I618 HydrophobicContact CE1-CD1 3.34Å; F615-I618 HydrophobicContact CG-CD1 4.13Å; F615-I618 HydrophobicContact CZ-CD1 3.93Å; F615-I618 WeakPolarHBondContact O-CA 3.35Å; F615-I618 WeakPolarHBondContact O-CB 3.46Å; F615-I618 PolarHBondContact O-N 2.9Å; I618-T620 PolarHBondContact O-N 3.02Å; I618-T620 VanDerWaalsContact O-N 3.15Å; I618-Y621 PolarHBondContact O-N 3.16Å; I618-F622 HydrophobicContact CB-CD2 4.34Å; I618-F622 HydrophobicContact CG2-CB 4Å; I618-F622 HydrophobicContact CG2-CD2 3.8Å; I618-F622 HydrophobicContact CG2-CG 4.25Å; I618-F622 WeakPolarHBondContact O-CB 3.19Å; I618-F622 WeakPolarHBondContact O-CD2 3.11Å; I618-F622 PolarHBondContact O-N 2.97Å; I618-L625 HydrophobicContact CG2-CD2 4.1Å; I618-L646 HydrophobicContact CG2-CD2 4.29Å
619	S	59.5	Low	59.5	Low	8 Å²	8	49.3 Å²	49.3	6%	0.056	27%	0.265	C	S	.	.	H	α-helix	trans	-50.9	-39	175.6	52	0	0	0	0	113.6	F615 S616 Y621 T623 Q645	F615-S619 PolarHBondContact O-N 3.09Å; S616-S619 WeakPolarHBondContact CA-OG 3.07Å; S616-S619 PolarHBondContact O-OG 3.15Å; S619-Y621 VanDerWaalsContact C-N 3.25Å; S619-Y621 PolarHBondContact O-N 3.45Å; S619-T623 VanDerWaalsContact O-CG2 3.31Å; S619-T623 WeakPolarHBondContact O-CG2 3.41Å; S619-Q645 WeakPolarHBondContact CB-O 3.4Å; S619-Q645 WeakPolarHBondContact OG-CB 3.45Å; S619-Q645 PolarHBondContact OG-OE1 3.3Å
620	T	61.3	Low	60.9	Low	93 Å²	93	41.3 Å²	41.3	57%	0.571	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.2	178.8	-56.8	0	0	0	0	113.7	S616 I618	S616-T620 PolarHBondContact O-OG1 3.33Å; I618-T620 PolarHBondContact O-N 3.02Å; I618-T620 VanDerWaalsContact O-N 3.15Å
621	Y	58.2	Low	61.9	Low	84 Å²	84	40.8 Å²	40.8	33%	0.329	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-18.2	-177.8	-58	-63.7	0	0	0	114.3	I568 M593 S617 I618 S619	I568-Y621 HydrophobicContact CD1-CD2 4.28Å; I568-Y621 HydrophobicContact CD1-CE2 3.56Å; I568-Y621 HydrophobicContact CG1-CD2 4.1Å; I568-Y621 HydrophobicContact CG1-CE2 3.89Å; I568-Y621 HydrophobicContact CG2-CD2 4.07Å; I568-Y621 HydrophobicContact CG2-CE2 4.01Å; M593-Y621 HydrophobicContact CE-CD1 3.52Å; M593-Y621 HydrophobicContact CE-CD2 4.16Å; M593-Y621 HydrophobicContact CE-CE1 3.22Å; M593-Y621 HydrophobicContact CE-CE2 3.94Å; M593-Y621 HydrophobicContact CE-CG 3.99Å; M593-Y621 VanDerWaalsContact CE-CZ 3.46Å; M593-Y621 HydrophobicContact SD-CD1 3.62Å; M593-Y621 HydrophobicContact SD-CE1 3.74Å; M593-Y621 HydrophobicContact SD-CG 4.34Å; S617-Y621 WeakPolarHBondContact O-CD2 3.46Å; I618-Y621 PolarHBondContact O-N 3.16Å; S619-Y621 VanDerWaalsContact C-N 3.25Å; S619-Y621 PolarHBondContact O-N 3.45Å
622	F	63.6	Low	63	Low	2 Å²	2	42.5 Å²	42.5	1%	0.009	22%	0.224	C	C	.	.			trans	-124.9	46.1	-172.6	-59.7	-75.9	0	0	0	110.9	I571 I575 L596 C598 V601 I618 F624 L625	I571-F622 HydrophobicContact CD1-CE2 4.3Å; I571-F622 HydrophobicContact CG2-CE1 4.27Å; I571-F622 HydrophobicContact CG2-CE2 3.78Å; I571-F622 HydrophobicContact CG2-CZ 3.4Å; I575-F622 HydrophobicContact CD1-CE1 3.76Å; I575-F622 HydrophobicContact CD1-CZ 3.77Å; L596-F622 HydrophobicContact CB-CE1 4.43Å; L596-F622 HydrophobicContact CD1-CE1 4.47Å; L596-F622 HydrophobicContact CD1-CZ 4.5Å; C598-F622 HydrophobicContact CB-CD1 3.93Å; C598-F622 HydrophobicContact CB-CE1 3.95Å; V601-F622 HydrophobicContact CG2-CD1 4.04Å; V601-F622 HydrophobicContact CG2-CE1 4.24Å; V601-F622 HydrophobicContact CG2-CG 4.45Å; I618-F622 HydrophobicContact CB-CD2 4.34Å; I618-F622 HydrophobicContact CG2-CB 4Å; I618-F622 HydrophobicContact CG2-CD2 3.8Å; I618-F622 HydrophobicContact CG2-CG 4.25Å; I618-F622 WeakPolarHBondContact O-CB 3.19Å; I618-F622 WeakPolarHBondContact O-CD2 3.11Å; I618-F622 PolarHBondContact O-N 2.97Å; F622-F624 PolarHBondContact O-N 3.21Å; F622-F624 VanDerWaalsContact O-N 3.14Å; F622-L625 HydrophobicContact CB-CB 4.1Å; F622-L625 HydrophobicContact CB-CD2 4.28Å; F622-L625 WeakPolarHBondContact O-CB 3.37Å; F622-L625 PolarHBondContact O-N 3.13Å
623	T	65.5	Low	63.5	Low	75 Å²	75	42.5 Å²	42.5	46%	0.46	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.5	177.4	51	0	0	0	0	113.3	S619 N648	S619-T623 VanDerWaalsContact O-CG2 3.31Å; S619-T623 WeakPolarHBondContact O-CG2 3.41Å; T623-N648 PolarHBondContact O-ND2 3.31Å
624	F	68.6	Low	64.2	Low	133 Å²	133	39.3 Å²	39.3	58%	0.583	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	13.5	179.6	-59.1	-73.5	0	0	0	114.4	F622 K626	F622-F624 PolarHBondContact O-N 3.21Å; F622-F624 VanDerWaalsContact O-N 3.14Å; F624-K626 PolarHBondContact O-N 2.9Å
625	L	69.5	Low	64.7	Low	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.186	C	C	.	.			trans	-69	118.2	-176.7	-173.6	54	0	0	0	112.1	V601 I618 F622 F627 L628 L646 N648 L649	V601-L625 HydrophobicContact CB-CD1 3.9Å; V601-L625 HydrophobicContact CB-CD2 4.37Å; V601-L625 HydrophobicContact CG2-CD1 3.72Å; V601-L625 HydrophobicContact CG2-CD2 4.32Å; I618-L625 HydrophobicContact CG2-CD2 4.1Å; F622-L625 HydrophobicContact CB-CB 4.1Å; F622-L625 HydrophobicContact CB-CD2 4.28Å; F622-L625 WeakPolarHBondContact O-CB 3.37Å; F622-L625 PolarHBondContact O-N 3.13Å; L625-F627 VanDerWaalsContact CD1-O 3.31Å; L625-F627 WeakPolarHBondContact CD1-O 3.28Å; L625-L628 HydrophobicContact CD2-CB 4.31Å; L625-L628 HydrophobicContact CD2-CD1 4.45Å; L625-L646 HydrophobicContact CB-CD2 4.49Å; L625-L646 HydrophobicContact CD2-CD1 3.93Å; L625-L646 HydrophobicContact CD2-CD2 4.35Å; L625-N648 CarbonylContact O-C 3.5Å; L625-L649 HydrophobicContact CG-CD1 4.18Å; L625-L649 PolarHBondContact O-N 3.05Å
626	K	75.5	Confident	64.9	Low	53 Å²	53	41.4 Å²	41.4	23%	0.23	21%	0.208	C	C	.	.			trans	-100.2	-41.5	175.2	-70.5	161.1	157.3	-80.7	0	112.5	Q599 F624 N648 L649 E650 F651	Q599-K626 HydrophobicContact CB-CD 3.98Å; Q599-K626 HydrophobicContact CG-CD 3.96Å; Q599-K626 WeakPolarHBondContact O-CA 3.33Å; Q599-K626 WeakPolarHBondContact O-CB 3.48Å; Q599-K626 PolarHBondContact O-N 3.4Å; F624-K626 PolarHBondContact O-N 2.9Å; K626-N648 WeakPolarHBondContact CA-O 3.33Å; K626-L649 WeakPolarHBondContact O-CD1 3.33Å; K626-E650 HydrophobicContact CB-CB 4.31Å; K626-E650 HydrophobicContact CB-CG 4.39Å; K626-E650 WeakPolarHBondContact CD-OE2 3.39Å; K626-E650 HydrophobicContact CG-CG 4.32Å; K626-E650 WeakPolarHBondContact CG-OE2 3.48Å; K626-E650 IonicContact NZ-OE1 2.69Å; K626-E650 PolarHBondContact NZ-OE1 2.97Å; K626-E650 IonicContact NZ-OE2 3.45Å; K626-E650 PolarHBondContact NZ-OE2 2.97Å; K626-E650 PolarHBondContact O-N 2.86Å; K626-F651 PolarHBondContact O-N 3.39Å
627	F	74.7	Confident	64.9	Low	77 Å²	77	41.4 Å²	41.4	34%	0.338	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	113.9	-174.6	-54.8	-92.2	0	0	0	111	Q599 A600 V601 L625 F651	Q599-F627 PolarHBondContact O-N 2.84Å; A600-F627 CarbonylContact C-O 3.54Å; A600-F627 VanDerWaalsContact CA-O 3.27Å; A600-F627 WeakPolarHBondContact CA-O 3.19Å; A600-F627 HydrophobicContact CB-CB 3.83Å; A600-F627 HydrophobicContact CB-CD2 4.26Å; A600-F627 HydrophobicContact CB-CG 4.45Å; V601-F627 PolarHBondContact N-O 2.96Å; L625-F627 VanDerWaalsContact CD1-O 3.31Å; L625-F627 WeakPolarHBondContact CD1-O 3.28Å; F627-F651 HydrophobicContact CD1-CB 3.56Å; F627-F651 HydrophobicContact CD1-CD1 4.08Å; F627-F651 HydrophobicContact CD1-CG 4.06Å; F627-F651 HydrophobicContact CE1-CB 4.09Å; F627-F651 HydrophobicContact CG-CB 4.42Å
628	L	76.4	Confident	65.2	Low	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	111.9	176.1	175.4	55.1	0	0	0	109.7	V601 F615 L625 I630 I643 L646 L649 F651 L652 D653	V601-L628 HydrophobicContact CB-CD1 4.46Å; V601-L628 HydrophobicContact CG1-CD1 4.32Å; F615-L628 HydrophobicContact CD1-CD2 4.39Å; F615-L628 HydrophobicContact CE1-CD1 4.23Å; F615-L628 HydrophobicContact CE1-CD2 3.56Å; F615-L628 HydrophobicContact CZ-CD2 4.21Å; L625-L628 HydrophobicContact CD2-CB 4.31Å; L625-L628 HydrophobicContact CD2-CD1 4.45Å; L628-I630 HydrophobicContact CD1-CD1 4.41Å; L628-I630 HydrophobicContact CD1-CG1 3.92Å; L628-I630 HydrophobicContact CD2-CD1 4.2Å; L628-I630 HydrophobicContact CG-CD1 4.16Å; L628-I630 HydrophobicContact CG-CG1 3.94Å; L628-I643 HydrophobicContact CD2-CD1 3.92Å; L628-I643 HydrophobicContact CD2-CG1 4.38Å; L628-L646 HydrophobicContact CD2-CD1 4.13Å; L628-L649 HydrophobicContact CB-CD1 3.69Å; L628-F651 PolarHBondContact N-O 3.1Å; L628-L652 HydrophobicContact CB-CD1 4.15Å; L628-L652 HydrophobicContact CD2-CD1 3.91Å; L628-L652 HydrophobicContact CG-CD1 3.87Å; L628-L652 CarbonylContact O-C 3.07Å; L628-L652 WeakPolarHBondContact O-CA 3.18Å; L628-D653 PolarHBondContact O-N 3.3Å
629	T	70.3	Confident	65.3	Low	8 Å²	8	46.6 Å²	46.6	5%	0.049	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.2	170.5	-60.2	0	0	0	0	109.7	V601 Y602 L603 N631 D653	V601-T629 PolarHBondContact O-N 3.15Å; Y602-T629 HydrophobicContact CD1-CG2 3.8Å; Y602-T629 WeakPolarHBondContact CD1-OG1 3.26Å; Y602-T629 HydrophobicContact CE1-CG2 4.19Å; Y602-T629 WeakPolarHBondContact CE1-OG1 3.39Å; L603-T629 PolarHBondContact N-O 2.9Å; T629-N631 VanDerWaalsContact CG2-ND2 3.35Å; T629-N631 WeakPolarHBondContact CG2-ND2 3.49Å; T629-D653 CarbonylContact C-O 3.6Å; T629-D653 WeakPolarHBondContact CA-O 3.25Å; T629-D653 HydrophobicContact CG2-CB 4.19Å
630	I	71.1	Confident	65.6	Low	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.3	179.7	-43.5	173.7	0	0	0	108.3	L603 F615 L628 C633 L635 L640 L652 D653 N657	L603-I630 HydrophobicContact CB-CG2 4.3Å; L603-I630 HydrophobicContact CD1-CG1 4.43Å; L603-I630 HydrophobicContact CD1-CG2 4.37Å; F615-I630 HydrophobicContact CE2-CD1 4.31Å; F615-I630 HydrophobicContact CZ-CD1 3.67Å; F615-I630 HydrophobicContact CZ-CG1 4.46Å; L628-I630 HydrophobicContact CD1-CD1 4.41Å; L628-I630 HydrophobicContact CD1-CG1 3.92Å; L628-I630 HydrophobicContact CD2-CD1 4.2Å; L628-I630 HydrophobicContact CG-CD1 4.16Å; L628-I630 HydrophobicContact CG-CG1 3.94Å; I630-C633 HydrophobicContact CG2-CB 3.96Å; I630-C633 WeakPolarHBondContact CG2-SG 3.27Å; I630-L635 HydrophobicContact CD1-CD1 4.27Å; I630-L635 HydrophobicContact CG2-CD1 4.04Å; I630-L640 HydrophobicContact CD1-CD2 4Å; I630-L652 HydrophobicContact CD1-CD1 4.19Å; I630-D653 PolarHBondContact N-O 3.47Å; I630-N657 PolarHBondContact O-ND2 3.01Å
631	N	66.6	Low	65.8	Low	14 Å²	14	48.3 Å²	48.3	8%	0.075	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.5	-177.8	-66.2	-51.2	0	0	0	111.8	L603 N604 C605 T629 C633 R656 N657	L603-N631 PolarHBondContact O-N 2.83Å; N604-N631 CarbonylContact C-O 3.6Å; N604-N631 WeakPolarHBondContact CA-O 3.48Å; N604-N631 HydrophobicContact CB-CB 4.25Å; C605-N631 PolarHBondContact N-O 3.18Å; T629-N631 VanDerWaalsContact CG2-ND2 3.35Å; T629-N631 WeakPolarHBondContact CG2-ND2 3.49Å; N631-C633 PolarHBondContact O-N 2.85Å; N631-C633 VanDerWaalsContact O-N 3.15Å; N631-C633 PolarHBondContact O-SG 3.01Å; N631-R656 HydrophobicContact CB-CB 4.07Å; N631-R656 VanDerWaalsContact OD1-CB 3.29Å; N631-R656 WeakPolarHBondContact OD1-CB 3.49Å; N631-R656 WeakPolarHBondContact OD1-CD 3.48Å; N631-R656 WeakPolarHBondContact OD1-CG 3.47Å; N631-N657 VanDerWaalsContact C-OD1 3.29Å
632	E	63.5	Low	66	Low	83 Å²	83	44.4 Å²	44.4	39%	0.388	22%	0.217	S	C	.	.	S	Bend	trans	58.9	21.7	170.9	-56.8	-174.9	-138.1	0	0	115.9	C605 F606 R656 N657	C605-E632 WeakPolarHBondContact CB-O 3.28Å; F606-E632 WeakPolarHBondContact CD1-OE2 3.28Å; F606-E632 WeakPolarHBondContact CE1-OE1 3.49Å; E632-R656 VanDerWaalsContact CA-O 3.31Å; E632-R656 WeakPolarHBondContact CA-O 3.32Å; E632-R656 PolarHBondContact N-O 3.01Å; E632-N657 PolarHBondContact N-OD1 3.17Å; E632-N657 VanDerWaalsContact N-OD1 3.12Å
633	C	61.5	Low	66.3	Low	3 Å²	3	44.4 Å²	44.4	2%	0.02	22%	0.217	C	C	.	.			trans	-91.9	135.8	179.7	-51.4	0	0	0	0	111.7	C605 I612 I630 N631 L635 N657	C605-C633 VanDerWaalsContact CB-CA 3.48Å; C605-C633 HydrophobicContact CB-CB 3.67Å; C605-C633 WeakPolarHBondContact CB-SG 3.49Å; C605-C633 WeakPolarHBondContact SG-CB 3.41Å; C605-C633 CovalentContact SG-SG 2.03Å; C605-C633 PolarHBondContact SG-SG 3.37Å; I612-C633 HydrophobicContact CD1-CB 4.44Å; I630-C633 HydrophobicContact CG2-CB 3.96Å; I630-C633 WeakPolarHBondContact CG2-SG 3.27Å; N631-C633 PolarHBondContact O-N 2.85Å; N631-C633 VanDerWaalsContact O-N 3.15Å; N631-C633 PolarHBondContact O-SG 3.01Å; C633-L635 HydrophobicContact CB-CG 4.03Å; C633-L635 PolarHBondContact O-N 2.97Å; C633-N657 WeakPolarHBondContact CB-OD1 3.38Å; C633-N657 PolarHBondContact N-OD1 3.35Å; C633-N657 PolarHBondContact O-OD1 3.1Å
634	D	60.3	Low	66.3	Low	61 Å²	61	43 Å²	43	33%	0.326	21%	0.209	S	C	.	.			trans	-75.3	54.8	178.1	-175.7	28.8	0	0	0	111.9	K609 K636	K609-D634 WeakPolarHBondContact CE-OD2 3.29Å; K609-D634 IonicContact NZ-OD2 2.64Å; D634-K636 IonicContact OD2-NZ 2.63Å
635	L	62.5	Low	66.4	Low	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.202	C	C	.	.			trans	-68.9	127	-171.6	-75.2	176.5	0	0	0	113.6	I612 I630 C633 D639 L640 L659 N660	I612-L635 HydrophobicContact CD1-CD2 4Å; I630-L635 HydrophobicContact CD1-CD1 4.27Å; I630-L635 HydrophobicContact CG2-CD1 4.04Å; C633-L635 HydrophobicContact CB-CG 4.03Å; C633-L635 PolarHBondContact O-N 2.97Å; L635-D639 HydrophobicContact CD2-CB 3.94Å; L635-L640 HydrophobicContact CD1-CD2 4.06Å; L635-L640 HydrophobicContact CD1-CG 4.41Å; L635-L640 HydrophobicContact CD2-CD2 4.26Å; L635-L659 HydrophobicContact CB-CD2 4.04Å; L635-L659 HydrophobicContact CD1-CD2 3.61Å; L635-L659 HydrophobicContact CG-CD2 4.44Å; L635-N660 PolarHBondContact O-N 2.82Å
636	K	62.9	Low	66.6	Low	107 Å²	107	41.2 Å²	41.2	47%	0.465	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-109.9	162.2	173.2	-66.5	155.8	-164.6	152.3	0	110.7	D634 N638 D639	D634-K636 IonicContact OD2-NZ 2.63Å; K636-N638 PolarHBondContact O-N 2.92Å; K636-D639 PolarHBondContact N-OD2 3.26Å; K636-D639 WeakPolarHBondContact O-CB 3.36Å; K636-D639 PolarHBondContact O-N 2.96Å
637	S	58.4	Low	66.7	Low	30 Å²	30	43.1 Å²	43.1	21%	0.21	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.7	-176.4	-152.4	0	0	0	0	116.2	N660 N662 Y663	S637-N660 PolarHBondContact N-O 3.15Å; S637-N662 PolarHBondContact OG-N 2.97Å; S637-Y663 PolarHBondContact OG-N 2.78Å
638	N	60.2	Low	67	Low	129 Å²	129	41.3 Å²	41.3	69%	0.69	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-24.6	175.3	-71.9	-6.6	0	0	0	112.9	K636 K641	K636-N638 PolarHBondContact O-N 2.92Å; N638-K641 VanDerWaalsContact O-CB 3.27Å; N638-K641 WeakPolarHBondContact O-CB 3.17Å; N638-K641 PolarHBondContact O-N 3.36Å
639	D	61.7	Low	67.2	Low	17 Å²	17	41.3 Å²	41.3	9%	0.091	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-72.4	-47.9	-166.7	-56.9	-11.1	0	0	0	109.7	I612 F615 L635 K636 K641	I612-D639 HydrophobicContact CB-CB 4.06Å; I612-D639 HydrophobicContact CG2-CB 4.17Å; I612-D639 VanDerWaalsContact O-CA 3.26Å; I612-D639 WeakPolarHBondContact O-CA 3.4Å; I612-D639 VanDerWaalsContact O-CB 3.28Å; I612-D639 WeakPolarHBondContact O-CB 3.43Å; F615-D639 WeakPolarHBondContact CD2-O 3.34Å; F615-D639 PolarHBondContact N-O 2.85Å; L635-D639 HydrophobicContact CD2-CB 3.94Å; K636-D639 PolarHBondContact N-OD2 3.26Å; K636-D639 WeakPolarHBondContact O-CB 3.36Å; K636-D639 PolarHBondContact O-N 2.96Å; D639-K641 PolarHBondContact O-N 3.48Å
640	L	65	Low	67.8	Low	6 Å²	6	43.5 Å²	43.5	3%	0.031	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-67.6	-6.6	175.1	-67.1	-175.1	0	0	0	114.2	F615 I630 L635 G642 I643 V661 I664	F615-L640 HydrophobicContact CD2-CD2 4.17Å; F615-L640 HydrophobicContact CE2-CD2 3.82Å; F615-L640 HydrophobicContact CZ-CD2 4.33Å; I630-L640 HydrophobicContact CD1-CD2 4Å; L635-L640 HydrophobicContact CD1-CD2 4.06Å; L635-L640 HydrophobicContact CD1-CG 4.41Å; L635-L640 HydrophobicContact CD2-CD2 4.26Å; L640-G642 PolarHBondContact O-N 3.15Å; L640-I643 VanDerWaalsContact O-CB 3.28Å; L640-I643 WeakPolarHBondContact O-CB 3.06Å; L640-I643 WeakPolarHBondContact O-CG2 3.34Å; L640-I643 PolarHBondContact O-N 2.79Å; L640-V661 HydrophobicContact CD1-CG1 4.36Å; L640-V661 HydrophobicContact CD1-CG2 4.02Å; L640-I664 HydrophobicContact CD1-CD1 4.2Å; L640-I664 HydrophobicContact CD1-CG1 4.32Å
641	K	64.8	Low	68.1	Low	130 Å²	130	45.8 Å²	45.8	57%	0.565	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-55.8	-30.8	-172.3	179.3	161.1	-177.8	128.6	0	113.8	N638 D639 I643 T644	N638-K641 VanDerWaalsContact O-CB 3.27Å; N638-K641 WeakPolarHBondContact O-CB 3.17Å; N638-K641 PolarHBondContact O-N 3.36Å; D639-K641 PolarHBondContact O-N 3.48Å; K641-I643 VanDerWaalsContact C-N 3.31Å; K641-I643 PolarHBondContact O-N 3.3Å; K641-T644 WeakPolarHBondContact O-CG2 3.19Å; K641-T644 PolarHBondContact O-OG1 3.31Å
642	G	63	Low	68.9	Low	2 Å²	2	45.1 Å²	45.1	2%	0.021	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-80.2	0	177.2	0	0	0	0	0	116.1	L640 T644 Q645	L640-G642 PolarHBondContact O-N 3.15Å; G642-T644 PolarHBondContact O-N 3.26Å; G642-Q645 PolarHBondContact O-N 2.95Å; G642-Q645 VanDerWaalsContact O-N 3.17Å
643	I	69.6	Low	69.6	Low	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-65.1	-25.8	174.7	-153.6	167.3	0	0	0	111.4	L628 L640 K641 Q645 L646 L649 L652 E665 L666	L628-I643 HydrophobicContact CD2-CD1 3.92Å; L628-I643 HydrophobicContact CD2-CG1 4.38Å; L640-I643 VanDerWaalsContact O-CB 3.28Å; L640-I643 WeakPolarHBondContact O-CB 3.06Å; L640-I643 WeakPolarHBondContact O-CG2 3.34Å; L640-I643 PolarHBondContact O-N 2.79Å; K641-I643 VanDerWaalsContact C-N 3.31Å; K641-I643 PolarHBondContact O-N 3.3Å; I643-Q645 PolarHBondContact O-N 3Å; I643-L646 HydrophobicContact CG1-CD1 3.91Å; I643-L646 WeakPolarHBondContact O-CB 3.41Å; I643-L646 PolarHBondContact O-N 2.85Å; I643-L649 HydrophobicContact CD1-CD2 4.25Å; I643-L649 HydrophobicContact CG1-CD2 4.39Å; I643-L652 HydrophobicContact CD1-CD1 4.02Å; I643-L652 HydrophobicContact CD1-CD2 3.79Å; I643-E665 WeakPolarHBondContact CG2-O 3.28Å; I643-L666 HydrophobicContact CD1-CD2 3.88Å; I643-L666 HydrophobicContact CG1-CD2 4.06Å; I643-L666 HydrophobicContact CG2-CD2 4.15Å
644	T	66.5	Low	70.3	Confident	47 Å²	47	42 Å²	42	29%	0.288	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-49.8	-19.9	166.8	50.8	0	0	0	0	115.9	K641 G642 E665	K641-T644 WeakPolarHBondContact O-CG2 3.19Å; K641-T644 PolarHBondContact O-OG1 3.31Å; G642-T644 PolarHBondContact O-N 3.26Å; T644-E665 HydrophobicContact CG2-CB 3.42Å; T644-E665 VanDerWaalsContact CG2-CB 3.42Å; T644-E665 HydrophobicContact CG2-CG 4.32Å; T644-E665 VanDerWaalsContact CG2-OE2 3.25Å; T644-E665 WeakPolarHBondContact CG2-OE2 3.43Å
645	Q	70.3	Confident	70.9	Confident	95 Å²	95	41.8 Å²	41.8	44%	0.444	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-104.8	6.6	-178.2	-59.8	-179.9	-8.2	0	0	112.3	S619 G642 I643 N647	S619-Q645 WeakPolarHBondContact CB-O 3.4Å; S619-Q645 WeakPolarHBondContact OG-CB 3.45Å; S619-Q645 PolarHBondContact OG-OE1 3.3Å; G642-Q645 PolarHBondContact O-N 2.95Å; G642-Q645 VanDerWaalsContact O-N 3.17Å; I643-Q645 PolarHBondContact O-N 3Å; Q645-N647 PolarHBondContact O-OD1 2.95Å
646	L	73.5	Confident	71	Confident	1 Å²	1	48 Å²	48	1%	0.005	24%	0.237	C	C	.	.			trans	-89.8	126.9	160.6	-52.1	-178	0	0	0	106.6	I618 L625 L628 I643 L649 N669	I618-L646 HydrophobicContact CG2-CD2 4.29Å; L625-L646 HydrophobicContact CB-CD2 4.49Å; L625-L646 HydrophobicContact CD2-CD1 3.93Å; L625-L646 HydrophobicContact CD2-CD2 4.35Å; L628-L646 HydrophobicContact CD2-CD1 4.13Å; I643-L646 HydrophobicContact CG1-CD1 3.91Å; I643-L646 WeakPolarHBondContact O-CB 3.41Å; I643-L646 PolarHBondContact O-N 2.85Å; L646-L649 HydrophobicContact CB-CB 4.44Å; L646-L649 HydrophobicContact CD1-CD1 4.13Å; L646-L649 HydrophobicContact CD1-CD2 4.36Å; L646-N669 VanDerWaalsContact O-CG 3.24Å; L646-N669 PolarHBondContact O-ND2 3.1Å; L646-N669 PolarHBondContact O-OD1 3.26Å
647	N	77.4	Confident	71	Confident	92 Å²	92	43.5 Å²	43.5	49%	0.492	22%	0.219	S	C	.	.	S	Bend	trans	-121.4	17.1	-178.3	-54.4	22.8	0	0	0	111	Q645 Y668	Q645-N647 PolarHBondContact O-OD1 2.95Å; N647-Y668 WeakPolarHBondContact CA-O 3.4Å
648	N	80.7	Confident	71.3	Confident	40 Å²	40	50.5 Å²	50.5	21%	0.214	25%	0.248	C	C	.	.			trans	-134.5	3.8	-173.9	-82.8	-60.3	0	0	0	112.3	T623 L625 K626 E650 N669 K670	T623-N648 PolarHBondContact O-ND2 3.31Å; L625-N648 CarbonylContact O-C 3.5Å; K626-N648 WeakPolarHBondContact CA-O 3.33Å; N648-E650 PolarHBondContact O-N 3.12Å; N648-N669 PolarHBondContact N-OD1 2.83Å; N648-K670 WeakPolarHBondContact OD1-CE 3.45Å; N648-K670 PolarHBondContact OD1-NZ 3.08Å
649	L	80.5	Confident	71.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.			trans	-72.2	119.5	-173.1	-158.7	71.4	0	0	0	110	L625 K626 L628 I643 L646 F651 L652 L666 N669 K670 M671	L625-L649 HydrophobicContact CG-CD1 4.18Å; L625-L649 PolarHBondContact O-N 3.05Å; K626-L649 WeakPolarHBondContact O-CD1 3.33Å; L628-L649 HydrophobicContact CB-CD1 3.69Å; I643-L649 HydrophobicContact CD1-CD2 4.25Å; I643-L649 HydrophobicContact CG1-CD2 4.39Å; L646-L649 HydrophobicContact CB-CB 4.44Å; L646-L649 HydrophobicContact CD1-CD1 4.13Å; L646-L649 HydrophobicContact CD1-CD2 4.36Å; L649-F651 WeakPolarHBondContact CD1-O 3.11Å; L649-L652 HydrophobicContact CD2-CB 4.1Å; L649-L666 HydrophobicContact CD2-CD2 4.1Å; L649-N669 WeakPolarHBondContact CA-OD1 3.24Å; L649-N669 HydrophobicContact CB-CB 4.46Å; L649-N669 WeakPolarHBondContact CB-OD1 3.46Å; L649-N669 PolarHBondContact N-OD1 3.29Å; L649-K670 CarbonylContact O-C 3.4Å; L649-K670 PolarHBondContact O-N 2.82Å; L649-M671 HydrophobicContact CD2-CE 3.92Å; L649-M671 HydrophobicContact CG-CE 4.32Å; L649-M671 PolarHBondContact O-N 2.84Å
650	E	82.9	Confident	72.1	Confident	53 Å²	53	48 Å²	48	25%	0.248	23%	0.234	C	C	.	.			trans	-99.5	-20.8	176.5	-70.5	167.1	-175.6	0	0	110.5	K626 N648 K670 D676	K626-E650 HydrophobicContact CB-CB 4.31Å; K626-E650 HydrophobicContact CB-CG 4.39Å; K626-E650 WeakPolarHBondContact CD-OE2 3.39Å; K626-E650 HydrophobicContact CG-CG 4.32Å; K626-E650 WeakPolarHBondContact CG-OE2 3.48Å; K626-E650 IonicContact NZ-OE1 2.69Å; K626-E650 PolarHBondContact NZ-OE1 2.97Å; K626-E650 IonicContact NZ-OE2 3.45Å; K626-E650 PolarHBondContact NZ-OE2 2.97Å; K626-E650 PolarHBondContact O-N 2.86Å; N648-E650 PolarHBondContact O-N 3.12Å; E650-K670 HydrophobicContact CG-CB 3.6Å; E650-D676 WeakPolarHBondContact O-CB 3.36Å
651	F	79	Confident	72.6	Confident	48 Å²	48	47.7 Å²	47.7	21%	0.211	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	136.5	-175.5	-179.5	-98.8	0	0	0	113.4	K626 F627 L628 L649 D653 D676 M678	K626-F651 PolarHBondContact O-N 3.39Å; F627-F651 HydrophobicContact CD1-CB 3.56Å; F627-F651 HydrophobicContact CD1-CD1 4.08Å; F627-F651 HydrophobicContact CD1-CG 4.06Å; F627-F651 HydrophobicContact CE1-CB 4.09Å; F627-F651 HydrophobicContact CG-CB 4.42Å; L628-F651 PolarHBondContact N-O 3.1Å; L649-F651 WeakPolarHBondContact CD1-O 3.11Å; F651-D653 HydrophobicContact CE1-CB 3.6Å; F651-D653 HydrophobicContact CZ-CB 3.83Å; F651-D676 WeakPolarHBondContact CD2-O 3.41Å; F651-M678 HydrophobicContact CE2-CG 3.99Å; F651-M678 HydrophobicContact CE2-SD 3.7Å; F651-M678 HydrophobicContact CZ-CG 4.16Å; F651-M678 HydrophobicContact CZ-SD 3.64Å
652	L	82.4	Confident	73.5	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	111	173.9	174.9	61.3	0	0	0	110.4	L628 I630 I643 L649 L666 M671 D676 I677 M678	L628-L652 HydrophobicContact CB-CD1 4.15Å; L628-L652 HydrophobicContact CD2-CD1 3.91Å; L628-L652 HydrophobicContact CG-CD1 3.87Å; L628-L652 CarbonylContact O-C 3.07Å; L628-L652 WeakPolarHBondContact O-CA 3.18Å; I630-L652 HydrophobicContact CD1-CD1 4.19Å; I643-L652 HydrophobicContact CD1-CD1 4.02Å; I643-L652 HydrophobicContact CD1-CD2 3.79Å; L649-L652 HydrophobicContact CD2-CB 4.1Å; L652-L666 HydrophobicContact CD2-CD1 4.12Å; L652-L666 HydrophobicContact CD2-CD2 4.26Å; L652-M671 HydrophobicContact CB-CE 4.12Å; L652-D676 PolarHBondContact N-O 2.86Å; L652-I677 CarbonylContact O-C 3.59Å; L652-I677 WeakPolarHBondContact O-CA 3.28Å; L652-M678 PolarHBondContact O-N 3.29Å
653	D	78.1	Confident	74.5	Confident	20 Å²	20	49.4 Å²	49.4	11%	0.107	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.6	165.1	-177.5	17.7	0	0	0	110.4	L628 T629 I630 F651 S655 M678	L628-D653 PolarHBondContact O-N 3.3Å; T629-D653 CarbonylContact C-O 3.6Å; T629-D653 WeakPolarHBondContact CA-O 3.25Å; T629-D653 HydrophobicContact CG2-CB 4.19Å; I630-D653 PolarHBondContact N-O 3.47Å; F651-D653 HydrophobicContact CE1-CB 3.6Å; F651-D653 HydrophobicContact CZ-CB 3.83Å; D653-S655 WeakPolarHBondContact OD1-CB 3.42Å; D653-S655 PolarHBondContact OD1-N 3.44Å; D653-S655 PolarHBondContact OD1-OG 3.13Å; D653-S655 PolarHBondContact OD2-OG 2.89Å; D653-M678 HydrophobicContact CB-CB 4.15Å
654	A	75.7	Confident	75.2	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	17.1	172	0	0	0	0	0	111.7	R656 N657 L659 M678 F681	A654-R656 VanDerWaalsContact C-N 3.33Å; A654-R656 PolarHBondContact O-N 2.94Å; A654-N657 VanDerWaalsContact C-ND2 3.27Å; A654-N657 VanDerWaalsContact CA-ND2 3.33Å; A654-N657 WeakPolarHBondContact CA-ND2 3.37Å; A654-N657 PolarHBondContact O-N 2.87Å; A654-N657 PolarHBondContact O-ND2 3.18Å; A654-L659 HydrophobicContact CB-CD1 3.79Å; A654-L659 HydrophobicContact CB-CD2 4.28Å; A654-M678 PolarHBondContact N-O 3.12Å; A654-F681 HydrophobicContact CB-CZ 4.37Å
655	S	72.7	Confident	76	Confident	56 Å²	56	50.8 Å²	50.8	39%	0.392	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	-28.9	-168.4	61.7	0	0	0	0	115.4	D653 N657 M678	D653-S655 WeakPolarHBondContact OD1-CB 3.42Å; D653-S655 PolarHBondContact OD1-N 3.44Å; D653-S655 PolarHBondContact OD1-OG 3.13Å; D653-S655 PolarHBondContact OD2-OG 2.89Å; S655-N657 VanDerWaalsContact C-N 3.34Å; S655-N657 PolarHBondContact O-N 2.96Å; S655-M678 PolarHBondContact N-O 3.25Å
656	R	64.9	Low	76.8	Confident	130 Å²	130	46.3 Å²	46.3	49%	0.491	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	23.6	-179.6	-47.5	-172.2	-166.5	179.7	3.9	113.9	N631 E632 A654	N631-R656 HydrophobicContact CB-CB 4.07Å; N631-R656 VanDerWaalsContact OD1-CB 3.29Å; N631-R656 WeakPolarHBondContact OD1-CB 3.49Å; N631-R656 WeakPolarHBondContact OD1-CD 3.48Å; N631-R656 WeakPolarHBondContact OD1-CG 3.47Å; E632-R656 VanDerWaalsContact CA-O 3.31Å; E632-R656 WeakPolarHBondContact CA-O 3.32Å; E632-R656 PolarHBondContact N-O 3.01Å; A654-R656 VanDerWaalsContact C-N 3.33Å; A654-R656 PolarHBondContact O-N 2.94Å
657	N	62.9	Low	77.4	Confident	13 Å²	13	46.9 Å²	46.9	7%	0.07	23%	0.227	C	C	.	.	S	Bend	trans	-113.9	155.8	177.5	-51.7	-72.4	0	0	0	112	I630 N631 E632 C633 A654 S655 L659	I630-N657 PolarHBondContact O-ND2 3.01Å; N631-N657 VanDerWaalsContact C-OD1 3.29Å; E632-N657 PolarHBondContact N-OD1 3.17Å; E632-N657 VanDerWaalsContact N-OD1 3.12Å; C633-N657 WeakPolarHBondContact CB-OD1 3.38Å; C633-N657 PolarHBondContact N-OD1 3.35Å; C633-N657 PolarHBondContact O-OD1 3.1Å; A654-N657 VanDerWaalsContact C-ND2 3.27Å; A654-N657 VanDerWaalsContact CA-ND2 3.33Å; A654-N657 WeakPolarHBondContact CA-ND2 3.37Å; A654-N657 PolarHBondContact O-N 2.87Å; A654-N657 PolarHBondContact O-ND2 3.18Å; S655-N657 VanDerWaalsContact C-N 3.34Å; S655-N657 PolarHBondContact O-N 2.96Å; N657-L659 VanDerWaalsContact C-N 3.32Å; N657-L659 HydrophobicContact CB-CD2 3.51Å; N657-L659 HydrophobicContact CB-CG 3.87Å; N657-L659 PolarHBondContact O-N 3.46Å; N657-L659 VanDerWaalsContact O-N 3.16Å
658	H	66.2	Low	77.9	Confident	177 Å²	177	50.4 Å²	50.4	82%	0.819	24%	0.235	S	C	*	.			trans	-87.4	72.5	168.5	-66	-43.3	0	0	0	110.6	N660	H658-N660 PolarHBondContact O-N 3.4Å; H658-N660 VanDerWaalsContact O-N 3.09Å
659	L	67.5	Low	78.1	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.026	23%	0.226	C	C	.	.			trans	-65.9	106.5	-169.6	-61.2	177	0	0	0	113	L635 A654 N657 F681	L635-L659 HydrophobicContact CB-CD2 4.04Å; L635-L659 HydrophobicContact CD1-CD2 3.61Å; L635-L659 HydrophobicContact CG-CD2 4.44Å; A654-L659 HydrophobicContact CB-CD1 3.79Å; A654-L659 HydrophobicContact CB-CD2 4.28Å; N657-L659 VanDerWaalsContact C-N 3.32Å; N657-L659 HydrophobicContact CB-CD2 3.51Å; N657-L659 HydrophobicContact CB-CG 3.87Å; N657-L659 PolarHBondContact O-N 3.46Å; N657-L659 VanDerWaalsContact O-N 3.16Å; L659-F681 HydrophobicContact CB-CD1 4.37Å; L659-F681 HydrophobicContact CD1-CD1 3.43Å; L659-F681 VanDerWaalsContact CD1-CD1 3.43Å; L659-F681 HydrophobicContact CD1-CD2 4.39Å; L659-F681 HydrophobicContact CD1-CE1 3.41Å; L659-F681 VanDerWaalsContact CD1-CE1 3.41Å; L659-F681 HydrophobicContact CD1-CE2 4.35Å; L659-F681 HydrophobicContact CD1-CG 3.95Å; L659-F681 HydrophobicContact CD1-CZ 3.89Å; L659-F681 HydrophobicContact CG-CD1 4.46Å
660	N	69.5	Low	78.4	Confident	88 Å²	88	51.9 Å²	51.9	47%	0.471	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-108.7	63.6	172.1	-164.9	26	0	0	0	110.3	L635 S637 H658 N683	L635-N660 PolarHBondContact O-N 2.82Å; S637-N660 PolarHBondContact N-O 3.15Å; H658-N660 PolarHBondContact O-N 3.4Å; H658-N660 VanDerWaalsContact O-N 3.09Å; N660-N683 PolarHBondContact OD1-ND2 3.41Å
661	V	76	Confident	78.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.228	C	C	.	.			trans	-116.4	133.1	-175.4	177.3	0	0	0	0	108.5	L640 Y663 I664 N683 L684	L640-V661 HydrophobicContact CD1-CG1 4.36Å; L640-V661 HydrophobicContact CD1-CG2 4.02Å; V661-Y663 WeakPolarHBondContact CG1-O 3.28Å; V661-I664 HydrophobicContact CG1-CD1 4.04Å; V661-I664 HydrophobicContact CG1-CG1 3.6Å; V661-N683 CarbonylContact O-C 3.57Å; V661-N683 VanDerWaalsContact O-C 3.31Å; V661-L684 HydrophobicContact CG1-CD1 4.11Å; V661-L684 WeakPolarHBondContact O-CA 3.49Å; V661-L684 PolarHBondContact O-N 3.27Å
662	N	83.8	Confident	78.9	Confident	56 Å²	56	50.1 Å²	50.1	30%	0.299	24%	0.237	S	C	.	.	S	Bend	trans	-103.1	-24.5	-177.9	-67.6	14.6	0	0	0	112.5	S637 L685 M686	S637-N662 PolarHBondContact OG-N 2.97Å; N662-L685 HydrophobicContact CB-CD1 4.42Å; N662-L685 HydrophobicContact CB-CG 4.43Å; N662-L685 WeakPolarHBondContact O-CA 3.5Å; N662-L685 PolarHBondContact O-N 2.69Å; N662-M686 PolarHBondContact O-N 2.81Å
663	Y	83.8	Confident	79.1	Confident	113 Å²	113	55.1 Å²	55.1	44%	0.443	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130.7	-176.3	-54.6	-95.6	0	0	0	109.1	S637 V661 M686	S637-Y663 PolarHBondContact OG-N 2.78Å; V661-Y663 WeakPolarHBondContact CG1-O 3.28Å; Y663-M686 WeakPolarHBondContact CA-O 3.47Å; Y663-M686 HydrophobicContact CD1-CB 3.6Å; Y663-M686 HydrophobicContact CD1-CG 4.28Å; Y663-M686 HydrophobicContact CD1-SD 3.82Å; Y663-M686 HydrophobicContact CE1-CB 4.15Å; Y663-M686 HydrophobicContact CE1-SD 4.42Å; Y663-M686 HydrophobicContact CG-CB 4.44Å
664	I	84.2	Confident	79.3	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.015	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	121.8	171.9	-73.1	176.4	0	0	0	108.3	L640 V661 L666 F681 L684 M686 L687 D688	L640-I664 HydrophobicContact CD1-CD1 4.2Å; L640-I664 HydrophobicContact CD1-CG1 4.32Å; V661-I664 HydrophobicContact CG1-CD1 4.04Å; V661-I664 HydrophobicContact CG1-CG1 3.6Å; I664-L666 HydrophobicContact CG2-CD1 3.5Å; I664-L666 VanDerWaalsContact CG2-CD1 3.5Å; I664-L666 HydrophobicContact CG2-CG 3.61Å; I664-F681 HydrophobicContact CD1-CD1 3.36Å; I664-F681 HydrophobicContact CD1-CE1 3.25Å; I664-F681 HydrophobicContact CD1-CG 4.41Å; I664-F681 HydrophobicContact CD1-CZ 4.26Å; I664-L684 HydrophobicContact CB-CD1 4.01Å; I664-L684 HydrophobicContact CD1-CD1 3.79Å; I664-L684 HydrophobicContact CD1-CD2 4.26Å; I664-L684 HydrophobicContact CG1-CD1 3.63Å; I664-M686 PolarHBondContact N-O 2.63Å; I664-L687 HydrophobicContact CB-CD1 4.02Å; I664-L687 HydrophobicContact CG2-CD1 3.74Å; I664-L687 WeakPolarHBondContact O-CA 3.23Å; I664-D688 PolarHBondContact O-N 2.83Å
665	E	84	Confident	79.6	Confident	75 Å²	75	56.9 Å²	56.9	35%	0.35	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	106.5	177.6	-66.9	160.6	-134.1	0	0	107.5	I643 T644	I643-E665 WeakPolarHBondContact CG2-O 3.28Å; T644-E665 HydrophobicContact CG2-CB 3.42Å; T644-E665 VanDerWaalsContact CG2-CB 3.42Å; T644-E665 HydrophobicContact CG2-CG 4.32Å; T644-E665 VanDerWaalsContact CG2-OE2 3.25Å; T644-E665 WeakPolarHBondContact CG2-OE2 3.43Å
666	L	86	Confident	79.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.258	C	S	.	.			trans	-120.9	21.7	179.5	-72.9	166.6	0	0	0	111.3	I643 L649 L652 I664 N669 M671 I677 L687 D688 I689 N692	I643-L666 HydrophobicContact CD1-CD2 3.88Å; I643-L666 HydrophobicContact CG1-CD2 4.06Å; I643-L666 HydrophobicContact CG2-CD2 4.15Å; L649-L666 HydrophobicContact CD2-CD2 4.1Å; L652-L666 HydrophobicContact CD2-CD1 4.12Å; L652-L666 HydrophobicContact CD2-CD2 4.26Å; I664-L666 HydrophobicContact CG2-CD1 3.5Å; I664-L666 VanDerWaalsContact CG2-CD1 3.5Å; I664-L666 HydrophobicContact CG2-CG 3.61Å; L666-N669 PolarHBondContact O-ND2 2.85Å; L666-M671 HydrophobicContact CD1-CE 4.01Å; L666-M671 HydrophobicContact CD1-SD 4.35Å; L666-M671 HydrophobicContact CD2-CE 3.98Å; L666-M671 HydrophobicContact CG-CE 4.44Å; L666-I677 HydrophobicContact CD1-CD1 3.55Å; L666-I677 HydrophobicContact CD1-CG1 3.94Å; L666-L687 HydrophobicContact CD1-CD1 4.42Å; L666-D688 CarbonylContact C-O 3.51Å; L666-D688 WeakPolarHBondContact CA-O 3.31Å; L666-D688 WeakPolarHBondContact CB-O 3.42Å; L666-D688 PolarHBondContact N-O 2.92Å; L666-I689 HydrophobicContact CB-CG2 4.2Å; L666-N692 PolarHBondContact O-ND2 2.86Å
667	A	86.8	Confident	80.7	Confident	14 Å²	14	49 Å²	49	12%	0.116	24%	0.235	C	C	.	.			trans	-62.8	161.3	177.1	0	0	0	0	0	112.3	N669 S690	A667-N669 VanDerWaalsContact C-N 3.28Å; A667-N669 PolarHBondContact O-N 2.8Å; A667-N669 PolarHBondContact O-ND2 3.16Å; A667-S690 CarbonylContact C-O 3.1Å; A667-S690 WeakPolarHBondContact CA-O 3.49Å; A667-S690 WeakPolarHBondContact CB-O 3.37Å
668	Y	87.4	Confident	81.1	Confident	165 Å²	165	52.2 Å²	52.2	65%	0.647	25%	0.251	S	S	*	.	S	Bend	trans	57.2	36.8	176.9	-56	-81.7	0	0	0	114.2	N647 S690 S691	N647-Y668 WeakPolarHBondContact CA-O 3.4Å; Y668-S690 PolarHBondContact N-O 2.93Å; Y668-S691 VanDerWaalsContact CA-O 3.23Å; Y668-S691 WeakPolarHBondContact CA-O 3.35Å; Y668-S691 VanDerWaalsContact CD1-CB 3.41Å; Y668-S691 VanDerWaalsContact CE1-OG 3.24Å; Y668-S691 WeakPolarHBondContact CE1-OG 3.29Å; Y668-S691 PolarHBondContact N-O 3.5Å
669	N	85.3	Confident	81.3	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	22%	0.219	C	C	.	.	S	Bend	trans	-116.6	-168.2	179.3	-87.1	-78.6	0	0	0	111.6	L646 N648 L649 L666 A667 S691 N692	L646-N669 VanDerWaalsContact O-CG 3.24Å; L646-N669 PolarHBondContact O-ND2 3.1Å; L646-N669 PolarHBondContact O-OD1 3.26Å; N648-N669 PolarHBondContact N-OD1 2.83Å; L649-N669 WeakPolarHBondContact CA-OD1 3.24Å; L649-N669 HydrophobicContact CB-CB 4.46Å; L649-N669 WeakPolarHBondContact CB-OD1 3.46Å; L649-N669 PolarHBondContact N-OD1 3.29Å; L666-N669 PolarHBondContact O-ND2 2.85Å; A667-N669 VanDerWaalsContact C-N 3.28Å; A667-N669 PolarHBondContact O-N 2.8Å; A667-N669 PolarHBondContact O-ND2 3.16Å; N669-S691 PolarHBondContact N-O 2.94Å; N669-N692 WeakPolarHBondContact CA-OD1 3.4Å; N669-N692 VanDerWaalsContact CB-OD1 3.29Å; N669-N692 WeakPolarHBondContact CB-OD1 3.45Å; N669-N692 PolarHBondContact O-OD1 3.32Å
670	K	86.4	Confident	81.5	Confident	68 Å²	68	47.6 Å²	47.6	30%	0.296	24%	0.24	S	C	.	.			trans	-120.4	22.5	-169.3	-60.7	-171.5	174	175	0	112.8	N648 L649 E650 N692 Y693	N648-K670 WeakPolarHBondContact OD1-CE 3.45Å; N648-K670 PolarHBondContact OD1-NZ 3.08Å; L649-K670 CarbonylContact O-C 3.4Å; L649-K670 PolarHBondContact O-N 2.82Å; E650-K670 HydrophobicContact CG-CB 3.6Å; K670-N692 PolarHBondContact N-OD1 3.06Å; K670-Y693 HydrophobicContact CB-CD2 4.4Å; K670-Y693 HydrophobicContact CB-CE2 4.34Å; K670-Y693 HydrophobicContact CG-CE2 4.12Å
671	M	87.1	Confident	82	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.			trans	-66.1	137.8	177.7	-60.8	-173	173.9	0	0	110.2	L649 L652 L666 D676 I677 N692 Y693 I694	L649-M671 HydrophobicContact CD2-CE 3.92Å; L649-M671 HydrophobicContact CG-CE 4.32Å; L649-M671 PolarHBondContact O-N 2.84Å; L652-M671 HydrophobicContact CB-CE 4.12Å; L666-M671 HydrophobicContact CD1-CE 4.01Å; L666-M671 HydrophobicContact CD1-SD 4.35Å; L666-M671 HydrophobicContact CD2-CE 3.98Å; L666-M671 HydrophobicContact CG-CE 4.44Å; M671-D676 HydrophobicContact CB-CB 4.45Å; M671-D676 HydrophobicContact CG-CB 4.49Å; M671-I677 HydrophobicContact CE-CG1 4.02Å; M671-I677 HydrophobicContact SD-CD1 3.92Å; M671-I677 HydrophobicContact SD-CG1 3.53Å; M671-I677 VanDerWaalsContact SD-CG1 3.53Å; M671-N692 WeakPolarHBondContact CB-OD1 3.47Å; M671-N692 PolarHBondContact N-OD1 3.14Å; M671-Y693 CarbonylContact O-C 3.3Å; M671-Y693 VanDerWaalsContact O-C 3.29Å; M671-Y693 WeakPolarHBondContact O-CA 3.49Å; M671-Y693 PolarHBondContact O-N 2.7Å; M671-I694 HydrophobicContact CB-CG1 4.41Å; M671-I694 PolarHBondContact O-N 2.97Å
672	T	86.5	Confident	82	Confident	64 Å²	64	45.9 Å²	45.9	39%	0.393	23%	0.234	S	C	.	.			trans	-104	-19.1	-174.9	66.2	0	0	0	0	112.8	D676 Y693 I694 T695	T672-D676 PolarHBondContact N-OD2 3.43Å; T672-D676 PolarHBondContact OG1-OD2 3.04Å; T672-Y693 WeakPolarHBondContact CA-O 3.34Å; T672-I694 WeakPolarHBondContact O-CA 3.45Å; T672-T695 PolarHBondContact O-N 3.15Å; T672-T695 PolarHBondContact O-OG1 2.99Å
673	K	86.4	Confident	82	Confident	106 Å²	106	45.6 Å²	45.6	46%	0.461	23%	0.232	S	C	.	.	S	Bend	trans	-154.8	155.4	-174.6	-64.1	164.1	-168.9	158.7	0	109.4	S675 D676	K673-S675 WeakPolarHBondContact CB-OG 3.48Å; K673-S675 WeakPolarHBondContact CD-OG 3.47Å; K673-S675 PolarHBondContact O-N 2.94Å; K673-S675 VanDerWaalsContact O-N 3.13Å; K673-D676 PolarHBondContact N-OD2 3.05Å; K673-D676 WeakPolarHBondContact O-CB 3.17Å; K673-D676 PolarHBondContact O-N 3.43Å; K673-D676 VanDerWaalsContact O-N 3.1Å
674	L	82.7	Confident	82.1	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-62.4	-16.6	165.9	-165.6	70.4	0	0	0	112.9	D676 I677 L687 I689 D698 K701 L702 F706	L674-D676 PolarHBondContact O-N 2.82Å; L674-D676 VanDerWaalsContact O-N 3.15Å; L674-I677 HydrophobicContact CD1-CD1 4.49Å; L674-L687 HydrophobicContact CD1-CD2 4.46Å; L674-I689 HydrophobicContact CD1-CD1 4.27Å; L674-D698 WeakPolarHBondContact CD2-O 3.19Å; L674-K701 HydrophobicContact CD2-CB 4.11Å; L674-K701 HydrophobicContact CD2-CG 4.12Å; L674-K701 HydrophobicContact CG-CD 4.34Å; L674-K701 HydrophobicContact CG-CG 4.38Å; L674-K701 WeakPolarHBondContact O-CD 3.43Å; L674-K701 VanDerWaalsContact O-CE 3.26Å; L674-K701 WeakPolarHBondContact O-CE 3.26Å; L674-K701 PolarHBondContact O-NZ 2.94Å; L674-L702 HydrophobicContact CD1-CD2 4.16Å; L674-L702 HydrophobicContact CD2-CB 4.42Å; L674-L702 HydrophobicContact CD2-CD2 3.52Å; L674-L702 HydrophobicContact CD2-CG 3.55Å; L674-L702 HydrophobicContact CG-CD2 4.5Å; L674-F706 HydrophobicContact CD1-CE2 4.08Å; L674-F706 HydrophobicContact CD2-CE2 4.5Å; L674-F706 HydrophobicContact CG-CE2 4.48Å
675	S	81.1	Confident	82.3	Confident	54 Å²	54	43 Å²	43	38%	0.378	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-55.2	-30	171.5	50.7	0	0	0	0	112.6	K673 I677 K701	K673-S675 WeakPolarHBondContact CB-OG 3.48Å; K673-S675 WeakPolarHBondContact CD-OG 3.47Å; K673-S675 PolarHBondContact O-N 2.94Å; K673-S675 VanDerWaalsContact O-N 3.13Å; S675-I677 PolarHBondContact O-N 3.34Å; S675-K701 VanDerWaalsContact C-NZ 3.26Å; S675-K701 VanDerWaalsContact CA-NZ 3.29Å; S675-K701 PolarHBondContact O-NZ 3.09Å
676	D	79.1	Confident	82.5	Confident	20 Å²	20	41.4 Å²	41.4	11%	0.107	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-79.6	-8.8	-164.3	-48	-14.1	0	0	0	112.3	E650 F651 L652 M671 T672 K673 L674	E650-D676 WeakPolarHBondContact O-CB 3.36Å; F651-D676 WeakPolarHBondContact CD2-O 3.41Å; L652-D676 PolarHBondContact N-O 2.86Å; M671-D676 HydrophobicContact CB-CB 4.45Å; M671-D676 HydrophobicContact CG-CB 4.49Å; T672-D676 PolarHBondContact N-OD2 3.43Å; T672-D676 PolarHBondContact OG1-OD2 3.04Å; K673-D676 PolarHBondContact N-OD2 3.05Å; K673-D676 WeakPolarHBondContact O-CB 3.17Å; K673-D676 PolarHBondContact O-N 3.43Å; K673-D676 VanDerWaalsContact O-N 3.1Å; L674-D676 PolarHBondContact O-N 2.82Å; L674-D676 VanDerWaalsContact O-N 3.15Å
677	I	81.9	Confident	82.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	97.6	166.3	-54.8	170.9	0	0	0	109	L652 L666 M671 L674 S675 F681 L687 I689 K701 F706	L652-I677 CarbonylContact O-C 3.59Å; L652-I677 WeakPolarHBondContact O-CA 3.28Å; L666-I677 HydrophobicContact CD1-CD1 3.55Å; L666-I677 HydrophobicContact CD1-CG1 3.94Å; M671-I677 HydrophobicContact CE-CG1 4.02Å; M671-I677 HydrophobicContact SD-CD1 3.92Å; M671-I677 HydrophobicContact SD-CG1 3.53Å; M671-I677 VanDerWaalsContact SD-CG1 3.53Å; L674-I677 HydrophobicContact CD1-CD1 4.49Å; S675-I677 PolarHBondContact O-N 3.34Å; I677-F681 HydrophobicContact CG2-CE2 3.9Å; I677-F681 HydrophobicContact CG2-CZ 3.78Å; I677-L687 HydrophobicContact CD1-CD1 4.34Å; I677-I689 HydrophobicContact CD1-CG2 3.75Å; I677-K701 WeakPolarHBondContact O-CE 3.49Å; I677-K701 PolarHBondContact O-NZ 3.05Å; I677-F706 HydrophobicContact CG2-CE1 4.37Å; I677-F706 HydrophobicContact CG2-CZ 4.09Å
678	M	70.8	Confident	83	Confident	82 Å²	82	42 Å²	42	40%	0.404	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.3	179.6	-70.3	-171.7	62.7	0	0	112.4	F651 L652 D653 A654 S655	F651-M678 HydrophobicContact CE2-CG 3.99Å; F651-M678 HydrophobicContact CE2-SD 3.7Å; F651-M678 HydrophobicContact CZ-CG 4.16Å; F651-M678 HydrophobicContact CZ-SD 3.64Å; L652-M678 PolarHBondContact O-N 3.29Å; D653-M678 HydrophobicContact CB-CB 4.15Å; A654-M678 PolarHBondContact N-O 3.12Å; S655-M678 PolarHBondContact N-O 3.25Å
679	G	70	Confident	83.2	Confident	16 Å²	16	34.1 Å²	34.1	17%	0.165	19%	0.189	C	C	.	.	S	Bend	trans	153.4	175.2	174.3	0	0	0	0	0	113.6	S705	G679-S705 WeakPolarHBondContact O-CB 3.46Å; G679-S705 PolarHBondContact O-OG 2.95Å
680	C	71.8	Confident	83.5	Confident	68 Å²	68	34.2 Å²	34.2	46%	0.459	19%	0.19	S	C	.	.			trans	-116.3	124.4	167.3	178.6	0	0	0	0	108	P682	C680-P682 VanDerWaalsContact C-CD 3.5Å; C680-P682 WeakPolarHBondContact O-CD 3.39Å
681	F	80	Confident	83.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.187	C	C	.	.			trans	-116.9	74.4	-174.9	-53.5	-109.1	0	0	0	108.1	A654 L659 I664 I677 N683 L684 S705 F706	A654-F681 HydrophobicContact CB-CZ 4.37Å; L659-F681 HydrophobicContact CB-CD1 4.37Å; L659-F681 HydrophobicContact CD1-CD1 3.43Å; L659-F681 VanDerWaalsContact CD1-CD1 3.43Å; L659-F681 HydrophobicContact CD1-CD2 4.39Å; L659-F681 HydrophobicContact CD1-CE1 3.41Å; L659-F681 VanDerWaalsContact CD1-CE1 3.41Å; L659-F681 HydrophobicContact CD1-CE2 4.35Å; L659-F681 HydrophobicContact CD1-CG 3.95Å; L659-F681 HydrophobicContact CD1-CZ 3.89Å; L659-F681 HydrophobicContact CG-CD1 4.46Å; I664-F681 HydrophobicContact CD1-CD1 3.36Å; I664-F681 HydrophobicContact CD1-CE1 3.25Å; I664-F681 HydrophobicContact CD1-CG 4.41Å; I664-F681 HydrophobicContact CD1-CZ 4.26Å; I677-F681 HydrophobicContact CG2-CE2 3.9Å; I677-F681 HydrophobicContact CG2-CZ 3.78Å; F681-N683 PolarHBondContact O-N 3.38Å; F681-L684 HydrophobicContact CB-CB 3.78Å; F681-L684 HydrophobicContact CB-CD2 4.35Å; F681-L684 PolarHBondContact O-N 3.23Å; F681-S705 PolarHBondContact N-O 3.49Å; F681-F706 HydrophobicContact CB-CD1 4.02Å; F681-F706 HydrophobicContact CB-CE1 4.49Å; F681-F706 AromaticContact CD2-CD1 3.65Å; F681-F706 HydrophobicContact CD2-CD1 3.65Å; F681-F706 AromaticContact CD2-CE1 3.34Å; F681-F706 HydrophobicContact CD2-CE1 3.34Å; F681-F706 HydrophobicContact CD2-CZ 4.38Å; F681-F706 HydrophobicContact CE2-CD1 4.39Å; F681-F706 AromaticContact CE2-CE1 3.63Å; F681-F706 HydrophobicContact CE2-CE1 3.63Å; F681-F706 HydrophobicContact CE2-CZ 4.37Å; F681-F706 HydrophobicContact CG-CD1 4.02Å; F681-F706 AromaticContact CG-CE1 3.99Å; F681-F706 HydrophobicContact CG-CE1 3.99Å; F681-F706 HydrophobicContact CZ-CE1 4.44Å
682	P	77.2	Confident	84	Confident	53 Å²	53	32.8 Å²	32.8	34%	0.344	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-3.3	-164.2	29.4	-38.7	0	0	0	115.3	C680 K708	C680-P682 VanDerWaalsContact C-CD 3.5Å; C680-P682 WeakPolarHBondContact O-CD 3.39Å; P682-K708 WeakPolarHBondContact O-CD 3.49Å; P682-K708 WeakPolarHBondContact O-CE 3.07Å; P682-K708 PolarHBondContact O-NZ 3.29Å; P682-K708 VanDerWaalsContact O-NZ 3.11Å
683	N	82.6	Confident	84.2	Confident	49 Å²	49	35.9 Å²	35.9	26%	0.262	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	7.9	177.2	-68.4	-31.7	0	0	0	113.4	N660 V661 F681 L685 K708	N660-N683 PolarHBondContact OD1-ND2 3.41Å; V661-N683 CarbonylContact O-C 3.57Å; V661-N683 VanDerWaalsContact O-C 3.31Å; F681-N683 PolarHBondContact O-N 3.38Å; N683-L685 PolarHBondContact O-N 3.46Å; N683-K708 PolarHBondContact OD1-NZ 2.99Å
684	L	86.1	Confident	84.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.			trans	-67.3	126.3	179.7	-162.2	71.4	0	0	0	110.5	V661 I664 F681 M686 L687 F706 K708 L709	V661-L684 HydrophobicContact CG1-CD1 4.11Å; V661-L684 WeakPolarHBondContact O-CA 3.49Å; V661-L684 PolarHBondContact O-N 3.27Å; I664-L684 HydrophobicContact CB-CD1 4.01Å; I664-L684 HydrophobicContact CD1-CD1 3.79Å; I664-L684 HydrophobicContact CD1-CD2 4.26Å; I664-L684 HydrophobicContact CG1-CD1 3.63Å; F681-L684 HydrophobicContact CB-CB 3.78Å; F681-L684 HydrophobicContact CB-CD2 4.35Å; F681-L684 PolarHBondContact O-N 3.23Å; L684-M686 WeakPolarHBondContact CD1-O 3.35Å; L684-L687 HydrophobicContact CD2-CB 3.98Å; L684-L687 HydrophobicContact CD2-CD1 4.38Å; L684-F706 HydrophobicContact CD2-CD1 3.39Å; L684-F706 HydrophobicContact CD2-CE1 3.89Å; L684-F706 HydrophobicContact CD2-CG 4.2Å; L684-K708 CarbonylContact O-C 3.58Å; L684-L709 HydrophobicContact CD2-CD1 4.11Å; L684-L709 HydrophobicContact CG-CD1 4.23Å; L684-L709 WeakPolarHBondContact O-CA 3.46Å; L684-L709 PolarHBondContact O-N 2.85Å
685	L	88	Confident	84.7	Confident	61 Å²	61	33.7 Å²	33.7	32%	0.319	19%	0.189	S	C	.	.			trans	-107.7	-33	179	-55.8	-179	0	0	0	111.3	N662 N683 K708 Y710 Q711	N662-L685 HydrophobicContact CB-CD1 4.42Å; N662-L685 HydrophobicContact CB-CG 4.43Å; N662-L685 WeakPolarHBondContact O-CA 3.5Å; N662-L685 PolarHBondContact O-N 2.69Å; N683-L685 PolarHBondContact O-N 3.46Å; L685-K708 HydrophobicContact CD2-CB 4.32Å; L685-Y710 CarbonylContact O-C 3.57Å; L685-Y710 WeakPolarHBondContact O-CA 3.09Å; L685-Y710 WeakPolarHBondContact O-CB 3.4Å; L685-Y710 PolarHBondContact O-N 3.11Å; L685-Q711 PolarHBondContact O-N 3.05Å
686	M	89.6	Confident	84.7	Confident	42 Å²	42	33.4 Å²	33.4	21%	0.207	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.1	177.6	178.2	-178.2	-92.3	0	0	110.4	N662 Y663 I664 L684 Q711	N662-M686 PolarHBondContact O-N 2.81Å; Y663-M686 WeakPolarHBondContact CA-O 3.47Å; Y663-M686 HydrophobicContact CD1-CB 3.6Å; Y663-M686 HydrophobicContact CD1-CG 4.28Å; Y663-M686 HydrophobicContact CD1-SD 3.82Å; Y663-M686 HydrophobicContact CE1-CB 4.15Å; Y663-M686 HydrophobicContact CE1-SD 4.42Å; Y663-M686 HydrophobicContact CG-CB 4.44Å; I664-M686 PolarHBondContact N-O 2.63Å; L684-M686 WeakPolarHBondContact CD1-O 3.35Å; M686-Q711 WeakPolarHBondContact CA-O 3.16Å; M686-Q711 HydrophobicContact CE-CB 4.45Å
687	L	91	Very high	84.8	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122	168.2	178.8	60	0	0	0	107.8	I664 L666 L674 I677 L684 I689 F706 L709 Q711 L712 M713	I664-L687 HydrophobicContact CB-CD1 4.02Å; I664-L687 HydrophobicContact CG2-CD1 3.74Å; I664-L687 WeakPolarHBondContact O-CA 3.23Å; L666-L687 HydrophobicContact CD1-CD1 4.42Å; L674-L687 HydrophobicContact CD1-CD2 4.46Å; I677-L687 HydrophobicContact CD1-CD1 4.34Å; L684-L687 HydrophobicContact CD2-CB 3.98Å; L684-L687 HydrophobicContact CD2-CD1 4.38Å; L687-I689 HydrophobicContact CD1-CG2 3.94Å; L687-I689 HydrophobicContact CD2-CG2 4.33Å; L687-I689 HydrophobicContact CG-CG2 4.01Å; L687-F706 HydrophobicContact CD2-CD2 4.23Å; L687-F706 HydrophobicContact CD2-CE1 4.13Å; L687-F706 HydrophobicContact CD2-CE2 3.84Å; L687-F706 HydrophobicContact CD2-CZ 3.78Å; L687-L709 HydrophobicContact CB-CD1 3.65Å; L687-L709 HydrophobicContact CB-CD2 4.34Å; L687-Q711 PolarHBondContact N-O 3.25Å; L687-Q711 VanDerWaalsContact N-O 3.13Å; L687-L712 HydrophobicContact CB-CD1 4.05Å; L687-L712 HydrophobicContact CD2-CD1 4.03Å; L687-L712 HydrophobicContact CG-CD1 4.06Å; L687-L712 WeakPolarHBondContact O-CA 3.36Å; L687-M713 PolarHBondContact O-N 3.13Å
688	D	91.1	Very high	84.5	Confident	26 Å²	26	36 Å²	36	14%	0.139	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.4	167.4	-176.5	10.8	0	0	0	109.2	I664 L666 S690 M713	I664-D688 PolarHBondContact O-N 2.83Å; L666-D688 CarbonylContact C-O 3.51Å; L666-D688 WeakPolarHBondContact CA-O 3.31Å; L666-D688 WeakPolarHBondContact CB-O 3.42Å; L666-D688 PolarHBondContact N-O 2.92Å; D688-S690 WeakPolarHBondContact OD1-CB 3.49Å; D688-S690 PolarHBondContact OD1-N 3.29Å; D688-S690 PolarHBondContact OD1-OG 3.43Å; D688-M713 WeakPolarHBondContact CA-O 3.38Å; D688-M713 HydrophobicContact CB-CB 4.11Å; D688-M713 WeakPolarHBondContact OD1-CB 3.21Å
689	I	91.7	Very high	84.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.182	C	C	.	.			trans	-129.6	22.2	177.7	47.5	164.2	0	0	0	110.3	L666 L674 I677 L687 N692 I694 L712 M713 A714 N717	L666-I689 HydrophobicContact CB-CG2 4.2Å; L674-I689 HydrophobicContact CD1-CD1 4.27Å; I677-I689 HydrophobicContact CD1-CG2 3.75Å; L687-I689 HydrophobicContact CD1-CG2 3.94Å; L687-I689 HydrophobicContact CD2-CG2 4.33Å; L687-I689 HydrophobicContact CG-CG2 4.01Å; I689-N692 WeakPolarHBondContact O-CB 3.35Å; I689-N692 PolarHBondContact O-ND2 3.01Å; I689-I694 HydrophobicContact CB-CD1 4.04Å; I689-I694 HydrophobicContact CD1-CD1 3.63Å; I689-I694 HydrophobicContact CG1-CD1 4.3Å; I689-L712 HydrophobicContact CD1-CD1 4.07Å; I689-L712 HydrophobicContact CG1-CD1 4.05Å; I689-M713 VanDerWaalsContact CG1-O 3.25Å; I689-M713 WeakPolarHBondContact CG1-O 3.42Å; I689-M713 PolarHBondContact N-O 3.16Å; I689-A714 HydrophobicContact CD1-CB 3.86Å; I689-A714 HydrophobicContact CG1-CB 3.81Å; I689-N717 PolarHBondContact O-ND2 3.28Å
690	S	92.7	Very high	84.5	Confident	7 Å²	7	35 Å²	35	5%	0.049	19%	0.189	C	C	.	.			trans	-67.5	159.6	-177.1	-48.3	0	0	0	0	112	A667 Y668 D688 N692 M713 A714 S715	A667-S690 CarbonylContact C-O 3.1Å; A667-S690 WeakPolarHBondContact CA-O 3.49Å; A667-S690 WeakPolarHBondContact CB-O 3.37Å; Y668-S690 PolarHBondContact N-O 2.93Å; D688-S690 WeakPolarHBondContact OD1-CB 3.49Å; D688-S690 PolarHBondContact OD1-N 3.29Å; D688-S690 PolarHBondContact OD1-OG 3.43Å; S690-N692 PolarHBondContact O-N 3.29Å; S690-N692 PolarHBondContact O-ND2 3.35Å; S690-M713 VanDerWaalsContact OG-C 3.32Å; S690-M713 PolarHBondContact OG-O 3.02Å; S690-A714 PolarHBondContact OG-N 3.1Å; S690-S715 CarbonylContact C-O 3.47Å; S690-S715 WeakPolarHBondContact CA-O 3.47Å; S690-S715 VanDerWaalsContact CB-O 3.29Å; S690-S715 WeakPolarHBondContact CB-O 3.16Å; S690-S715 PolarHBondContact OG-N 2.99Å; S690-S715 PolarHBondContact OG-OG 2.94Å
691	S	93	Very high	84.6	Confident	32 Å²	32	33.5 Å²	33.5	22%	0.224	18%	0.175	C	C	.	.	S	Bend	trans	54	48.9	-178.3	-58.8	0	0	0	0	113.1	Y668 N669 S715 S716	Y668-S691 VanDerWaalsContact CA-O 3.23Å; Y668-S691 WeakPolarHBondContact CA-O 3.35Å; Y668-S691 VanDerWaalsContact CD1-CB 3.41Å; Y668-S691 VanDerWaalsContact CE1-OG 3.24Å; Y668-S691 WeakPolarHBondContact CE1-OG 3.29Å; Y668-S691 PolarHBondContact N-O 3.5Å; N669-S691 PolarHBondContact N-O 2.94Å; S691-S715 PolarHBondContact N-O 2.92Å; S691-S716 WeakPolarHBondContact CA-O 3.44Å; S691-S716 PolarHBondContact N-O 2.78Å
692	N	91.2	Very high	84.5	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.027	18%	0.177	C	C	.	.	S	Bend	trans	-125.1	-172.4	174.6	-85.3	-99.1	0	0	0	109.2	L666 N669 K670 M671 I689 S690 I694 S716 N717	L666-N692 PolarHBondContact O-ND2 2.86Å; N669-N692 WeakPolarHBondContact CA-OD1 3.4Å; N669-N692 VanDerWaalsContact CB-OD1 3.29Å; N669-N692 WeakPolarHBondContact CB-OD1 3.45Å; N669-N692 PolarHBondContact O-OD1 3.32Å; K670-N692 PolarHBondContact N-OD1 3.06Å; M671-N692 WeakPolarHBondContact CB-OD1 3.47Å; M671-N692 PolarHBondContact N-OD1 3.14Å; I689-N692 WeakPolarHBondContact O-CB 3.35Å; I689-N692 PolarHBondContact O-ND2 3.01Å; S690-N692 PolarHBondContact O-N 3.29Å; S690-N692 PolarHBondContact O-ND2 3.35Å; N692-I694 HydrophobicContact CB-CD1 4.36Å; N692-I694 HydrophobicContact CB-CG1 4.23Å; N692-S716 PolarHBondContact N-O 3.05Å; N692-N717 WeakPolarHBondContact CA-OD1 3.44Å; N692-N717 VanDerWaalsContact CB-OD1 3.26Å; N692-N717 WeakPolarHBondContact CB-OD1 3.25Å; N692-N717 PolarHBondContact O-OD1 2.78Å
693	Y	91.4	Very high	84.3	Confident	130 Å²	130	32.9 Å²	32.9	51%	0.51	17%	0.17	S	C	.	.			trans	-109.4	32	179.5	-55.8	-57.7	0	0	0	112.6	K670 M671 T672 T695 L718	K670-Y693 HydrophobicContact CB-CD2 4.4Å; K670-Y693 HydrophobicContact CB-CE2 4.34Å; K670-Y693 HydrophobicContact CG-CE2 4.12Å; M671-Y693 CarbonylContact O-C 3.3Å; M671-Y693 VanDerWaalsContact O-C 3.29Å; M671-Y693 WeakPolarHBondContact O-CA 3.49Å; M671-Y693 PolarHBondContact O-N 2.7Å; T672-Y693 WeakPolarHBondContact CA-O 3.34Å; Y693-T695 PolarHBondContact O-N 3.46Å; Y693-L718 HydrophobicContact CD1-CD1 4.22Å
694	I	90.5	Very high	83.9	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.189	C	C	.	.			trans	-71.3	119.3	-174.9	-61.9	171.4	0	0	0	109.7	M671 T672 I689 N692 T696 N717 L718 I719	M671-I694 HydrophobicContact CB-CG1 4.41Å; M671-I694 PolarHBondContact O-N 2.97Å; T672-I694 WeakPolarHBondContact O-CA 3.45Å; I689-I694 HydrophobicContact CB-CD1 4.04Å; I689-I694 HydrophobicContact CD1-CD1 3.63Å; I689-I694 HydrophobicContact CG1-CD1 4.3Å; N692-I694 HydrophobicContact CB-CD1 4.36Å; N692-I694 HydrophobicContact CB-CG1 4.23Å; I694-T696 WeakPolarHBondContact CG2-O 3.47Å; I694-N717 VanDerWaalsContact CB-OD1 3.23Å; I694-N717 WeakPolarHBondContact CB-OD1 3.39Å; I694-N717 WeakPolarHBondContact CG1-OD1 3.37Å; I694-N717 PolarHBondContact N-OD1 3.48Å; I694-L718 CarbonylContact O-C 3.1Å; I694-L718 WeakPolarHBondContact O-CA 3.37Å; I694-L718 PolarHBondContact O-N 3.45Å; I694-I719 HydrophobicContact CG2-CG1 4.33Å; I694-I719 VanDerWaalsContact O-CG1 3.32Å; I694-I719 WeakPolarHBondContact O-CG1 3.49Å; I694-I719 PolarHBondContact O-N 2.8Å; I694-I719 VanDerWaalsContact O-N 3.13Å
695	T	87.5	Confident	83.5	Confident	61 Å²	61	37 Å²	37	37%	0.374	19%	0.192	S	C	.	.			trans	-93.1	-20.3	-173.2	47.2	0	0	0	0	114.6	T672 Y693 L718 T720	T672-T695 PolarHBondContact O-N 3.15Å; T672-T695 PolarHBondContact O-OG1 2.99Å; Y693-T695 PolarHBondContact O-N 3.46Å; T695-L718 WeakPolarHBondContact CA-O 3.48Å; T695-L718 HydrophobicContact CG2-CB 4.04Å; T695-T720 PolarHBondContact O-N 3.45Å
696	T	82.5	Confident	83.3	Confident	49 Å²	49	34.1 Å²	34.1	30%	0.301	18%	0.176	S	C	.	.			trans	-148.4	142.6	-178	49.6	0	0	0	0	111.1	I694	I694-T696 WeakPolarHBondContact CG2-O 3.47Å
697	L	81.1	Confident	82.9	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.183	C	C	.	.			trans	-102.4	99.4	176.4	-167.1	72.1	0	0	0	111.2	I699 L702 L712 I719 L741	L697-I699 PolarHBondContact O-N 3.39Å; L697-L702 HydrophobicContact CD1-CD1 4.13Å; L697-L702 HydrophobicContact CD2-CD1 4.24Å; L697-L702 HydrophobicContact CG-CD1 4.1Å; L697-L712 HydrophobicContact CD1-CD2 4.24Å; L697-I719 HydrophobicContact CB-CD1 4.41Å; L697-I719 HydrophobicContact CB-CG2 4.41Å; L697-L741 HydrophobicContact CD2-CD2 4.18Å
698	D	75.9	Confident	82.6	Confident	72 Å²	72	38.8 Å²	38.8	39%	0.385	20%	0.201	S	C	.	.			trans	-79.3	99.9	175.3	-178.7	-11.2	0	0	0	110.9	L674 Q700 K701 L702	L674-D698 WeakPolarHBondContact CD2-O 3.19Å; D698-Q700 VanDerWaalsContact C-N 3.32Å; D698-Q700 PolarHBondContact O-N 3.04Å; D698-Q700 WeakPolarHBondContact OD1-CA 3.28Å; D698-Q700 WeakPolarHBondContact OD1-CB 3.23Å; D698-Q700 PolarHBondContact OD1-N 2.71Å; D698-K701 HydrophobicContact CB-CB 4.15Å; D698-K701 PolarHBondContact O-N 3.43Å; D698-K701 PolarHBondContact OD1-N 3.26Å; D698-L702 PolarHBondContact O-N 3.29Å
699	I	71.4	Confident	82.5	Confident	10 Å²	10	37.6 Å²	37.6	5%	0.051	20%	0.195	C	C	.	.	H	α-helix	trans	-71.1	-25.9	179.4	-67.3	168.6	0	0	0	112.4	L697 L702 V703 I722 I724 W731 I754	L697-I699 PolarHBondContact O-N 3.39Å; I699-L702 HydrophobicContact CG1-CD1 4.19Å; I699-L702 PolarHBondContact O-N 2.86Å; I699-V703 HydrophobicContact CG2-CG2 4.4Å; I699-V703 WeakPolarHBondContact O-CG2 3.5Å; I699-V703 PolarHBondContact O-N 2.88Å; I699-I722 HydrophobicContact CD1-CG2 3.52Å; I699-I722 HydrophobicContact CG1-CG2 4.44Å; I699-I724 HydrophobicContact CB-CD1 3.88Å; I699-I724 HydrophobicContact CB-CG1 3.91Å; I699-I724 HydrophobicContact CD1-CD1 3.93Å; I699-I724 HydrophobicContact CD1-CG1 3.93Å; I699-I724 HydrophobicContact CG1-CG1 4.41Å; I699-I724 HydrophobicContact CG2-CD1 3.76Å; I699-I724 HydrophobicContact CG2-CG1 4.36Å; I699-W731 HydrophobicContact CG2-CG 4.12Å; I699-I754 HydrophobicContact CD1-CD1 4.03Å; I699-I754 HydrophobicContact CD1-CG2 4.28Å
700	Q	69.1	Low	82.3	Confident	66 Å²	66	40.9 Å²	40.9	31%	0.308	21%	0.207	S	C	.	.	H	α-helix	trans	-66.3	-45.3	175	-59.2	-174.2	2.1	0	0	109.6	D698 L702 V703 I704 S727	D698-Q700 VanDerWaalsContact C-N 3.32Å; D698-Q700 PolarHBondContact O-N 3.04Å; D698-Q700 WeakPolarHBondContact OD1-CA 3.28Å; D698-Q700 WeakPolarHBondContact OD1-CB 3.23Å; D698-Q700 PolarHBondContact OD1-N 2.71Å; Q700-L702 VanDerWaalsContact C-N 3.35Å; Q700-L702 PolarHBondContact O-N 2.91Å; Q700-V703 PolarHBondContact O-N 3.49Å; Q700-I704 VanDerWaalsContact O-CG1 3.3Å; Q700-I704 WeakPolarHBondContact O-CG1 3.4Å; Q700-I704 PolarHBondContact O-N 2.85Å; Q700-S727 PolarHBondContact NE2-OG 3.33Å
701	K	73.8	Confident	82.3	Confident	37 Å²	37	42.1 Å²	42.1	16%	0.161	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-38	171.8	-176.7	165.9	-176.9	-174.6	0	112.4	L674 S675 I677 D698 V703 I704 S705	L674-K701 HydrophobicContact CD2-CB 4.11Å; L674-K701 HydrophobicContact CD2-CG 4.12Å; L674-K701 HydrophobicContact CG-CD 4.34Å; L674-K701 HydrophobicContact CG-CG 4.38Å; L674-K701 WeakPolarHBondContact O-CD 3.43Å; L674-K701 VanDerWaalsContact O-CE 3.26Å; L674-K701 WeakPolarHBondContact O-CE 3.26Å; L674-K701 PolarHBondContact O-NZ 2.94Å; S675-K701 VanDerWaalsContact C-NZ 3.26Å; S675-K701 VanDerWaalsContact CA-NZ 3.29Å; S675-K701 PolarHBondContact O-NZ 3.09Å; I677-K701 WeakPolarHBondContact O-CE 3.49Å; I677-K701 PolarHBondContact O-NZ 3.05Å; D698-K701 HydrophobicContact CB-CB 4.15Å; D698-K701 PolarHBondContact O-N 3.43Å; D698-K701 PolarHBondContact OD1-N 3.26Å; K701-V703 PolarHBondContact O-N 2.92Å; K701-I704 PolarHBondContact O-N 2.95Å; K701-S705 WeakPolarHBondContact O-CB 3.29Å; K701-S705 PolarHBondContact O-N 3.17Å
702	L	77.8	Confident	82.3	Confident	8 Å²	8	40.6 Å²	40.6	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-56.7	-48.6	174.4	-75.4	175.2	0	0	0	112.2	L674 L697 D698 I699 Q700 I704 F706 L709 L712	L674-L702 HydrophobicContact CD1-CD2 4.16Å; L674-L702 HydrophobicContact CD2-CB 4.42Å; L674-L702 HydrophobicContact CD2-CD2 3.52Å; L674-L702 HydrophobicContact CD2-CG 3.55Å; L674-L702 HydrophobicContact CG-CD2 4.5Å; L697-L702 HydrophobicContact CD1-CD1 4.13Å; L697-L702 HydrophobicContact CD2-CD1 4.24Å; L697-L702 HydrophobicContact CG-CD1 4.1Å; D698-L702 PolarHBondContact O-N 3.29Å; I699-L702 HydrophobicContact CG1-CD1 4.19Å; I699-L702 PolarHBondContact O-N 2.86Å; Q700-L702 VanDerWaalsContact C-N 3.35Å; Q700-L702 PolarHBondContact O-N 2.91Å; L702-I704 PolarHBondContact O-N 2.91Å; L702-F706 HydrophobicContact CD2-CD2 3.88Å; L702-F706 HydrophobicContact CD2-CE2 4.11Å; L702-F706 CarbonylContact O-C 3.5Å; L702-F706 WeakPolarHBondContact O-CA 3.35Å; L702-F706 PolarHBondContact O-N 2.77Å; L702-L709 HydrophobicContact CD2-CD2 4.17Å; L702-L712 HydrophobicContact CD1-CD2 3.63Å; L702-L712 HydrophobicContact CD2-CD2 3.84Å; L702-L712 HydrophobicContact CG-CD2 4.43Å
703	V	72.7	Confident	82.4	Confident	33 Å²	33	43.1 Å²	43.1	20%	0.2	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-40	-179.1	173.7	0	0	0	0	111.7	I699 Q700 K701 N733	I699-V703 HydrophobicContact CG2-CG2 4.4Å; I699-V703 WeakPolarHBondContact O-CG2 3.5Å; I699-V703 PolarHBondContact O-N 2.88Å; Q700-V703 PolarHBondContact O-N 3.49Å; K701-V703 PolarHBondContact O-N 2.92Å; V703-N733 HydrophobicContact CG2-CB 4.37Å
704	I	74.1	Confident	82.5	Confident	126 Å²	126	36.9 Å²	36.9	65%	0.646	19%	0.19	S	C	*	.	H	α-helix	trans	-75.4	-45.5	-177.4	-65.9	166.3	0	0	0	111.9	Q700 K701 L702	Q700-I704 VanDerWaalsContact O-CG1 3.3Å; Q700-I704 WeakPolarHBondContact O-CG1 3.4Å; Q700-I704 PolarHBondContact O-N 2.85Å; K701-I704 PolarHBondContact O-N 2.95Å; L702-I704 PolarHBondContact O-N 2.91Å
705	S	77.4	Confident	82.7	Confident	9 Å²	9	37.8 Å²	37.8	6%	0.063	20%	0.196	C	C	.	.	H	α-helix	trans	-80.1	-30.9	-177.9	-80.6	0	0	0	0	113.5	G679 F681 K701	G679-S705 WeakPolarHBondContact O-CB 3.46Å; G679-S705 PolarHBondContact O-OG 2.95Å; F681-S705 PolarHBondContact N-O 3.49Å; K701-S705 WeakPolarHBondContact O-CB 3.29Å; K701-S705 PolarHBondContact O-N 3.17Å
706	F	84.5	Confident	83.1	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.			trans	-132.5	61.5	-171.3	-38.8	-75.5	0	0	0	112.1	L674 I677 F681 L684 L687 L702 K708 L709	L674-F706 HydrophobicContact CD1-CE2 4.08Å; L674-F706 HydrophobicContact CD2-CE2 4.5Å; L674-F706 HydrophobicContact CG-CE2 4.48Å; I677-F706 HydrophobicContact CG2-CE1 4.37Å; I677-F706 HydrophobicContact CG2-CZ 4.09Å; F681-F706 HydrophobicContact CB-CD1 4.02Å; F681-F706 HydrophobicContact CB-CE1 4.49Å; F681-F706 AromaticContact CD2-CD1 3.65Å; F681-F706 HydrophobicContact CD2-CD1 3.65Å; F681-F706 AromaticContact CD2-CE1 3.34Å; F681-F706 HydrophobicContact CD2-CE1 3.34Å; F681-F706 HydrophobicContact CD2-CZ 4.38Å; F681-F706 HydrophobicContact CE2-CD1 4.39Å; F681-F706 AromaticContact CE2-CE1 3.63Å; F681-F706 HydrophobicContact CE2-CE1 3.63Å; F681-F706 HydrophobicContact CE2-CZ 4.37Å; F681-F706 HydrophobicContact CG-CD1 4.02Å; F681-F706 AromaticContact CG-CE1 3.99Å; F681-F706 HydrophobicContact CG-CE1 3.99Å; F681-F706 HydrophobicContact CZ-CE1 4.44Å; L684-F706 HydrophobicContact CD2-CD1 3.39Å; L684-F706 HydrophobicContact CD2-CE1 3.89Å; L684-F706 HydrophobicContact CD2-CG 4.2Å; L687-F706 HydrophobicContact CD2-CD2 4.23Å; L687-F706 HydrophobicContact CD2-CE1 4.13Å; L687-F706 HydrophobicContact CD2-CE2 3.84Å; L687-F706 HydrophobicContact CD2-CZ 3.78Å; L702-F706 HydrophobicContact CD2-CD2 3.88Å; L702-F706 HydrophobicContact CD2-CE2 4.11Å; L702-F706 CarbonylContact O-C 3.5Å; L702-F706 WeakPolarHBondContact O-CA 3.35Å; L702-F706 PolarHBondContact O-N 2.77Å; F706-K708 PolarHBondContact O-N 2.79Å; F706-L709 HydrophobicContact CB-CB 3.83Å; F706-L709 HydrophobicContact CB-CD1 4.41Å; F706-L709 HydrophobicContact CB-CD2 4.16Å; F706-L709 HydrophobicContact CB-CG 4.37Å; F706-L709 VanDerWaalsContact O-CB 3.29Å; F706-L709 WeakPolarHBondContact O-CB 3.37Å; F706-L709 PolarHBondContact O-N 3.27Å
707	P	79.8	Confident	83.6	Confident	53 Å²	53	35 Å²	35	34%	0.344	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-3.4	-168.2	27.9	-37.7	0	0	0	116	N735	P707-N735 PolarHBondContact O-ND2 3.19Å
708	K	85.9	Confident	84.2	Confident	88 Å²	88	38.1 Å²	38.1	38%	0.383	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	11.7	174.6	-62.4	-171.5	-167.4	156.5	0	113.5	P682 N683 L684 L685 F706 Y710	P682-K708 WeakPolarHBondContact O-CD 3.49Å; P682-K708 WeakPolarHBondContact O-CE 3.07Å; P682-K708 PolarHBondContact O-NZ 3.29Å; P682-K708 VanDerWaalsContact O-NZ 3.11Å; N683-K708 PolarHBondContact OD1-NZ 2.99Å; L684-K708 CarbonylContact O-C 3.58Å; L685-K708 HydrophobicContact CD2-CB 4.32Å; F706-K708 PolarHBondContact O-N 2.79Å; K708-Y710 PolarHBondContact O-N 2.91Å; K708-Y710 VanDerWaalsContact O-N 3.15Å
709	L	88	Confident	84.9	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.178	C	C	.	.			trans	-59.2	121	-174	-168.2	67	0	0	0	110	L684 L687 L702 F706 Q711 L712 N733 N735 L736	L684-L709 HydrophobicContact CD2-CD1 4.11Å; L684-L709 HydrophobicContact CG-CD1 4.23Å; L684-L709 WeakPolarHBondContact O-CA 3.46Å; L684-L709 PolarHBondContact O-N 2.85Å; L687-L709 HydrophobicContact CB-CD1 3.65Å; L687-L709 HydrophobicContact CB-CD2 4.34Å; L702-L709 HydrophobicContact CD2-CD2 4.17Å; F706-L709 HydrophobicContact CB-CB 3.83Å; F706-L709 HydrophobicContact CB-CD1 4.41Å; F706-L709 HydrophobicContact CB-CD2 4.16Å; F706-L709 HydrophobicContact CB-CG 4.37Å; F706-L709 VanDerWaalsContact O-CB 3.29Å; F706-L709 WeakPolarHBondContact O-CB 3.37Å; F706-L709 PolarHBondContact O-N 3.27Å; L709-Q711 WeakPolarHBondContact CD1-O 3.49Å; L709-L712 HydrophobicContact CD2-CB 4.05Å; L709-L712 HydrophobicContact CD2-CD1 4.32Å; L709-N733 PolarHBondContact O-ND2 3.07Å; L709-N735 CarbonylContact O-C 3.52Å; L709-L736 HydrophobicContact CB-CD1 4.26Å; L709-L736 HydrophobicContact CD2-CD1 4.06Å; L709-L736 HydrophobicContact CG-CD1 3.8Å; L709-L736 WeakPolarHBondContact O-CA 3.42Å; L709-L736 WeakPolarHBondContact O-CB 3.39Å; L709-L736 WeakPolarHBondContact O-CD1 3.25Å; L709-L736 PolarHBondContact O-N 2.99Å
710	Y	89	Confident	85.5	Confident	68 Å²	68	36.9 Å²	36.9	27%	0.267	19%	0.192	S	C	.	.			trans	-106.4	-30.6	-173.4	-179.2	-95.7	0	0	0	111.6	Y294 L685 K708 N735 N737 L738	Y294-Y710 AromaticContact CE2-CE1 3.96Å; Y294-Y710 HydrophobicContact CE2-CE1 3.96Å; Y294-Y710 WeakPolarHBondContact CE2-OH 3.38Å; Y294-Y710 WeakPolarHBondContact OH-CE1 3.41Å; L685-Y710 CarbonylContact O-C 3.57Å; L685-Y710 WeakPolarHBondContact O-CA 3.09Å; L685-Y710 WeakPolarHBondContact O-CB 3.4Å; L685-Y710 PolarHBondContact O-N 3.11Å; K708-Y710 PolarHBondContact O-N 2.91Å; K708-Y710 VanDerWaalsContact O-N 3.15Å; Y710-N735 WeakPolarHBondContact CA-O 3.25Å; Y710-N735 WeakPolarHBondContact CD2-O 3.13Å; Y710-N737 HydrophobicContact CD1-CB 4.28Å; Y710-N737 HydrophobicContact CD2-CB 3.75Å; Y710-N737 HydrophobicContact CE1-CB 3.92Å; Y710-N737 HydrophobicContact CE2-CB 3.37Å; Y710-N737 HydrophobicContact CG-CB 4.17Å; Y710-N737 VanDerWaalsContact CZ-CB 3.42Å; Y710-N737 VanDerWaalsContact CZ-CG 3.42Å; Y710-N737 WeakPolarHBondContact O-CB 3.37Å; Y710-N737 PolarHBondContact O-N 2.91Å; Y710-N737 PolarHBondContact OH-OD1 3.17Å; Y710-N737 VanDerWaalsContact OH-OD1 3.1Å; Y710-L738 PolarHBondContact O-N 3.05Å; Y710-L738 VanDerWaalsContact O-N 3.16Å
711	Q	91.6	Very high	85.7	Confident	33 Å²	33	35.2 Å²	35.2	15%	0.154	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.5	168.9	-50.1	-168.6	-0.9	0	0	110.8	Y294 L685 M686 L687 L709 L738	Y294-Q711 PolarHBondContact OH-NE2 3.41Å; Y294-Q711 VanDerWaalsContact OH-NE2 3.08Å; L685-Q711 PolarHBondContact O-N 3.05Å; M686-Q711 WeakPolarHBondContact CA-O 3.16Å; M686-Q711 HydrophobicContact CE-CB 4.45Å; L687-Q711 PolarHBondContact N-O 3.25Å; L687-Q711 VanDerWaalsContact N-O 3.13Å; L709-Q711 WeakPolarHBondContact CD1-O 3.49Å; Q711-L738 WeakPolarHBondContact CA-O 3.32Å; Q711-L738 HydrophobicContact CB-CB 4.09Å; Q711-L738 HydrophobicContact CG-CB 3.88Å
712	L	92.5	Very high	85.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.8	170	178	57.3	0	0	0	109.1	L687 I689 L697 L702 L709 L736 L738 L739 D740	L687-L712 HydrophobicContact CB-CD1 4.05Å; L687-L712 HydrophobicContact CD2-CD1 4.03Å; L687-L712 HydrophobicContact CG-CD1 4.06Å; L687-L712 WeakPolarHBondContact O-CA 3.36Å; I689-L712 HydrophobicContact CD1-CD1 4.07Å; I689-L712 HydrophobicContact CG1-CD1 4.05Å; L697-L712 HydrophobicContact CD1-CD2 4.24Å; L702-L712 HydrophobicContact CD1-CD2 3.63Å; L702-L712 HydrophobicContact CD2-CD2 3.84Å; L702-L712 HydrophobicContact CG-CD2 4.43Å; L709-L712 HydrophobicContact CD2-CB 4.05Å; L709-L712 HydrophobicContact CD2-CD1 4.32Å; L712-L736 HydrophobicContact CB-CD1 3.96Å; L712-L736 HydrophobicContact CB-CD2 4.43Å; L712-L738 PolarHBondContact N-O 3.17Å; L712-L739 HydrophobicContact CB-CD1 4.02Å; L712-L739 HydrophobicContact CD2-CD1 3.84Å; L712-L739 HydrophobicContact CG-CD1 4.03Å; L712-D740 PolarHBondContact O-N 3.16Å
713	M	93.4	Very high	84.8	Confident	58 Å²	58	38.1 Å²	38.1	29%	0.286	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119	170.7	-66.5	171.8	57.4	0	0	108.2	L687 D688 I689 S690	L687-M713 PolarHBondContact O-N 3.13Å; D688-M713 WeakPolarHBondContact CA-O 3.38Å; D688-M713 HydrophobicContact CB-CB 4.11Å; D688-M713 WeakPolarHBondContact OD1-CB 3.21Å; I689-M713 VanDerWaalsContact CG1-O 3.25Å; I689-M713 WeakPolarHBondContact CG1-O 3.42Å; I689-M713 PolarHBondContact N-O 3.16Å; S690-M713 VanDerWaalsContact OG-C 3.32Å; S690-M713 PolarHBondContact OG-O 3.02Å
714	A	93.6	Very high	83.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.			trans	-141.9	33.5	-178.3	0	0	0	0	0	111.1	I689 S690 N717 I719 D740 L741 N744	I689-A714 HydrophobicContact CD1-CB 3.86Å; I689-A714 HydrophobicContact CG1-CB 3.81Å; S690-A714 PolarHBondContact OG-N 3.1Å; A714-N717 PolarHBondContact O-ND2 2.97Å; A714-I719 HydrophobicContact CB-CD1 4.38Å; A714-D740 CarbonylContact C-O 3.52Å; A714-D740 PolarHBondContact N-O 3.43Å; A714-L741 HydrophobicContact CB-CD2 4.03Å; A714-N744 PolarHBondContact O-ND2 3.42Å
715	S	95.1	Very high	82.5	Confident	20 Å²	20	39.2 Å²	39.2	14%	0.14	20%	0.2	C	C	.	.			trans	-74.8	165.4	178.2	34.5	0	0	0	0	112.4	S690 S691 N717 D740 S742	S690-S715 CarbonylContact C-O 3.47Å; S690-S715 WeakPolarHBondContact CA-O 3.47Å; S690-S715 VanDerWaalsContact CB-O 3.29Å; S690-S715 WeakPolarHBondContact CB-O 3.16Å; S690-S715 PolarHBondContact OG-N 2.99Å; S690-S715 PolarHBondContact OG-OG 2.94Å; S691-S715 PolarHBondContact N-O 2.92Å; S715-N717 PolarHBondContact O-N 2.97Å; S715-N717 PolarHBondContact O-ND2 2.96Å; S715-D740 VanDerWaalsContact CB-OD2 3.23Å; S715-D740 WeakPolarHBondContact CB-OD2 3.47Å; S715-D740 PolarHBondContact OG-OD2 3.18Å; S715-S742 CarbonylContact C-O 3.42Å; S715-S742 WeakPolarHBondContact CA-O 3.12Å; S715-S742 WeakPolarHBondContact CB-O 3.42Å
716	S	95.6	Very high	80.8	Confident	45 Å²	45	44.7 Å²	44.7	32%	0.315	24%	0.238	S	C	.	.	S	Bend	trans	51.1	55.9	-176.1	-60.2	0	0	0	0	112.2	S691 N692 S742 D743	S691-S716 WeakPolarHBondContact CA-O 3.44Å; S691-S716 PolarHBondContact N-O 2.78Å; N692-S716 PolarHBondContact N-O 3.05Å; S716-S742 PolarHBondContact N-O 2.59Å; S716-D743 CarbonylContact C-O 3.58Å; S716-D743 WeakPolarHBondContact CA-O 3.36Å; S716-D743 WeakPolarHBondContact CA-OD2 3.21Å; S716-D743 VanDerWaalsContact CB-OD2 3.3Å; S716-D743 WeakPolarHBondContact CB-OD2 3.2Å; S716-D743 PolarHBondContact N-O 2.72Å; S716-D743 PolarHBondContact OG-OD2 2.79Å
717	N	93.8	Very high	78.7	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.037	26%	0.257	C	S	.	.	S	Bend	trans	-132.5	-177.2	179.9	-91.3	-89.6	0	0	0	110	I689 N692 I694 A714 S715 I719 D743 N744	I689-N717 PolarHBondContact O-ND2 3.28Å; N692-N717 WeakPolarHBondContact CA-OD1 3.44Å; N692-N717 VanDerWaalsContact CB-OD1 3.26Å; N692-N717 WeakPolarHBondContact CB-OD1 3.25Å; N692-N717 PolarHBondContact O-OD1 2.78Å; I694-N717 VanDerWaalsContact CB-OD1 3.23Å; I694-N717 WeakPolarHBondContact CB-OD1 3.39Å; I694-N717 WeakPolarHBondContact CG1-OD1 3.37Å; I694-N717 PolarHBondContact N-OD1 3.48Å; A714-N717 PolarHBondContact O-ND2 2.97Å; S715-N717 PolarHBondContact O-N 2.97Å; S715-N717 PolarHBondContact O-ND2 2.96Å; N717-I719 HydrophobicContact CB-CD1 4.4Å; N717-I719 HydrophobicContact CB-CG1 4.25Å; N717-D743 PolarHBondContact N-O 2.95Å; N717-D743 VanDerWaalsContact N-O 3.15Å; N717-N744 WeakPolarHBondContact CA-OD1 3.19Å; N717-N744 WeakPolarHBondContact CB-OD1 3.17Å; N717-N744 PolarHBondContact O-OD1 3.33Å
718	L	92.8	Very high	76.9	Confident	66 Å²	66	49.1 Å²	49.1	35%	0.346	27%	0.267	S	S	.	.			trans	-106.3	27.5	-176.5	-58.4	178.8	0	0	0	112.2	Y693 I694 T695 T720	Y693-L718 HydrophobicContact CD1-CD1 4.22Å; I694-L718 CarbonylContact O-C 3.1Å; I694-L718 WeakPolarHBondContact O-CA 3.37Å; I694-L718 PolarHBondContact O-N 3.45Å; T695-L718 WeakPolarHBondContact CA-O 3.48Å; T695-L718 HydrophobicContact CG2-CB 4.04Å; L718-T720 PolarHBondContact O-N 2.64Å; L718-T720 VanDerWaalsContact O-N 3.09Å
719	I	91	Very high	74.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.269	C	S	.	.			trans	-71.3	109.5	-174.2	-57.1	168.5	0	0	0	108.6	I694 L697 A714 N717 C721 L741 N744 E745 I746	I694-I719 HydrophobicContact CG2-CG1 4.33Å; I694-I719 VanDerWaalsContact O-CG1 3.32Å; I694-I719 WeakPolarHBondContact O-CG1 3.49Å; I694-I719 PolarHBondContact O-N 2.8Å; I694-I719 VanDerWaalsContact O-N 3.13Å; L697-I719 HydrophobicContact CB-CD1 4.41Å; L697-I719 HydrophobicContact CB-CG2 4.41Å; A714-I719 HydrophobicContact CB-CD1 4.38Å; N717-I719 HydrophobicContact CB-CD1 4.4Å; N717-I719 HydrophobicContact CB-CG1 4.25Å; I719-C721 WeakPolarHBondContact CG2-O 3.41Å; I719-L741 HydrophobicContact CD1-CD2 3.73Å; I719-N744 HydrophobicContact CB-CB 4.45Å; I719-N744 WeakPolarHBondContact CB-OD1 3.43Å; I719-N744 VanDerWaalsContact CG1-OD1 3.28Å; I719-N744 WeakPolarHBondContact CG1-OD1 3.5Å; I719-N744 PolarHBondContact N-OD1 2.69Å; I719-E745 CarbonylContact O-C 3.57Å; I719-E745 VanDerWaalsContact O-C 3.26Å; I719-E745 PolarHBondContact O-N 3.27Å; I719-I746 HydrophobicContact CB-CG1 4.47Å; I719-I746 HydrophobicContact CG2-CD1 4.43Å; I719-I746 HydrophobicContact CG2-CG1 4.24Å; I719-I746 WeakPolarHBondContact O-CG1 3.3Å; I719-I746 PolarHBondContact O-N 3.35Å; I719-I746 VanDerWaalsContact O-N 3.09Å
720	T	85.3	Confident	73.1	Confident	56 Å²	56	55.1 Å²	55.1	34%	0.344	30%	0.299	S	S	.	.			trans	-86.4	-24.9	179.9	52.1	0	0	0	0	113.2	T695 L718 E745 T747	T695-T720 PolarHBondContact O-N 3.45Å; L718-T720 PolarHBondContact O-N 2.64Å; L718-T720 VanDerWaalsContact O-N 3.09Å; T720-E745 HydrophobicContact CG2-CB 3.92Å; T720-T747 PolarHBondContact O-N 3.33Å
721	C	73.2	Confident	71.5	Confident	32 Å²	32	52.6 Å²	52.6	22%	0.216	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-160.3	149.1	-176.3	51.6	0	0	0	0	111.6	I719 Q723	I719-C721 WeakPolarHBondContact CG2-O 3.41Å; C721-Q723 HydrophobicContact CB-CG 4.42Å; C721-Q723 PolarHBondContact SG-NE2 3.34Å
722	I	72.7	Confident	69.4	Low	3 Å²	3	55.4 Å²	55.4	2%	0.015	31%	0.308	C	S	.	.			trans	-95.2	99.8	172.9	-50.7	177.5	0	0	0	107.1	I699 L741 I746 I749 I754	I699-I722 HydrophobicContact CD1-CG2 3.52Å; I699-I722 HydrophobicContact CG1-CG2 4.44Å; I722-L741 HydrophobicContact CD1-CD1 3.55Å; I722-L741 HydrophobicContact CG1-CD1 4.23Å; I722-I746 HydrophobicContact CG1-CD1 4.4Å; I722-I749 HydrophobicContact CD1-CG1 4.28Å; I722-I749 HydrophobicContact CD1-CG2 4.21Å; I722-I754 HydrophobicContact CB-CD1 4.26Å; I722-I754 HydrophobicContact CG2-CD1 3.62Å
723	Q	58.1	Low	67.8	Low	102 Å²	102	55.7 Å²	55.7	48%	0.477	31%	0.31	S	S	.	.			trans	-97.3	116.4	-176.2	-66.2	-171.8	4.9	0	0	111.7	C721	C721-Q723 HydrophobicContact CB-CG 4.42Å; C721-Q723 PolarHBondContact SG-NE2 3.34Å
724	I	51.6	Low	66.5	Low	14 Å²	14	60.7 Å²	60.7	7%	0.072	33%	0.333	C	S	.	.			trans	-103.1	112.9	150	-63.3	-169.7	0	0	0	107.1	I699 S726 S753 I754	I699-I724 HydrophobicContact CB-CD1 3.88Å; I699-I724 HydrophobicContact CB-CG1 3.91Å; I699-I724 HydrophobicContact CD1-CD1 3.93Å; I699-I724 HydrophobicContact CD1-CG1 3.93Å; I699-I724 HydrophobicContact CG1-CG1 4.41Å; I699-I724 HydrophobicContact CG2-CD1 3.76Å; I699-I724 HydrophobicContact CG2-CG1 4.36Å; I724-S726 PolarHBondContact O-N 3.08Å; I724-S753 PolarHBondContact O-OG 3.44Å; I724-I754 HydrophobicContact CB-CG1 4.23Å; I724-I754 HydrophobicContact CD1-CB 4.34Å; I724-I754 HydrophobicContact CD1-CD1 4.3Å; I724-I754 HydrophobicContact CD1-CG1 3.82Å; I724-I754 HydrophobicContact CD1-CG2 4.02Å; I724-I754 HydrophobicContact CG1-CD1 4.04Å; I724-I754 HydrophobicContact CG1-CG1 3.9Å
725	K	48	Very low	65.6	Low	168 Å²	168	64 Å²	64	73%	0.73	35%	0.35	S	S	*	.			trans	-60	131.4	165.4	-75.4	-179.3	176.8	175.4	0	107.9	S727	K725-S727 PolarHBondContact O-N 3.23Å; K725-S727 PolarHBondContact O-OG 2.79Å
726	S	40.9	Very low	65	Low	124 Å²	124	63.2 Å²	63.2	87%	0.867	34%	0.344	S	S	*	.	S	Bend	trans	-62.4	96.7	-177	-168.3	0	0	0	0	111.1	I724	I724-S726 PolarHBondContact O-N 3.08Å
727	S	41.1	Very low	64.7	Low	58 Å²	58	62.2 Å²	62.2	41%	0.406	34%	0.336	S	S	.	.			trans	-142.6	150.2	170.3	58.4	0	0	0	0	107.9	Q700 K725 T729	Q700-S727 PolarHBondContact NE2-OG 3.33Å; K725-S727 PolarHBondContact O-N 3.23Å; K725-S727 PolarHBondContact O-OG 2.79Å; S727-T729 PolarHBondContact O-N 2.87Å
728	T	41.8	Very low	64.6	Low	89 Å²	89	62.9 Å²	62.9	55%	0.546	34%	0.339	S	S	.	.	S	Bend	trans	-53.5	-10.5	-165.6	38.3	0	0	0	0	117.6	E245 K730	E245-T728 WeakPolarHBondContact OE1-CB 3.28Å; E245-T728 PolarHBondContact OE1-OG1 3Å; E245-T728 VanDerWaalsContact OE2-CB 3.29Å; E245-T728 WeakPolarHBondContact OE2-CB 3.3Å; E245-T728 PolarHBondContact OE2-OG1 3.39Å; E245-T728 VanDerWaalsContact OE2-OG1 3.09Å; T728-K730 PolarHBondContact O-N 3.21Å
729	T	43.4	Very low	64.6	Low	71 Å²	71	60.1 Å²	60.1	44%	0.436	33%	0.325	S	S	.	.			trans	-68	86.5	174	55.5	0	0	0	0	112.2	S727	S727-T729 PolarHBondContact O-N 2.87Å
730	K	50.4	Low	64.7	Low	144 Å²	144	60.8 Å²	60.8	63%	0.626	33%	0.328	S	S	*	.			trans	-46.4	144.6	157.8	-174.1	-177.2	-179.1	-177.1	0	109.3	T728 T732 P755	T728-K730 PolarHBondContact O-N 3.21Å; K730-T732 WeakPolarHBondContact O-CG2 3.27Å; K730-T732 PolarHBondContact O-N 3.35Å; K730-P755 HydrophobicContact CG-CG 4.23Å
731	W	54.9	Low	65.1	Low	14 Å²	14	58.1 Å²	58.1	5%	0.053	31%	0.312	C	S	.	.			trans	-65.9	99.4	178.7	-173.1	44.3	0	0	0	111.4	I699 N733 L736 L756 N758 I759	I699-W731 HydrophobicContact CG2-CG 4.12Å; W731-N733 HydrophobicContact CZ2-CB 4.34Å; W731-L736 HydrophobicContact CH2-CB 3.81Å; W731-L736 HydrophobicContact CH2-CD2 3.82Å; W731-L736 HydrophobicContact CH2-CG 4.31Å; W731-L736 HydrophobicContact CZ2-CB 3.63Å; W731-L736 HydrophobicContact CZ2-CD2 3.55Å; W731-L736 HydrophobicContact CZ2-CG 4.18Å; W731-L756 HydrophobicContact CE3-CD2 4.12Å; W731-L756 HydrophobicContact CH2-CD2 4.37Å; W731-L756 HydrophobicContact CZ3-CD2 3.85Å; W731-N758 HydrophobicContact CZ3-CB 4.35Å; W731-I759 HydrophobicContact CH2-CD1 3.84Å; W731-I759 HydrophobicContact CH2-CG1 3.62Å; W731-I759 HydrophobicContact CZ3-CD1 4.11Å; W731-I759 HydrophobicContact CZ3-CG1 3.88Å
732	T	47.8	Very low	66.2	Low	92 Å²	92	57.3 Å²	57.3	56%	0.564	31%	0.306	S	S	*	.			trans	-93.4	10.6	-174.9	55.4	0	0	0	0	114.4	K730 E734	K730-T732 WeakPolarHBondContact O-CG2 3.27Å; K730-T732 PolarHBondContact O-N 3.35Å; T732-E734 VanDerWaalsContact C-N 3.27Å; T732-E734 PolarHBondContact O-N 2.9Å
733	N	59.7	Low	67.3	Low	6 Å²	6	61.1 Å²	61.1	3%	0.032	33%	0.327	C	S	.	.			trans	-75.9	88.4	167	-168.6	-4	0	0	0	109.4	V703 L709 W731 N735 L736 N758	V703-N733 HydrophobicContact CG2-CB 4.37Å; L709-N733 PolarHBondContact O-ND2 3.07Å; W731-N733 HydrophobicContact CZ2-CB 4.34Å; N733-N735 PolarHBondContact O-N 3.47Å; N733-N735 VanDerWaalsContact O-N 3.14Å; N733-N735 WeakPolarHBondContact OD1-CA 3.5Å; N733-N735 VanDerWaalsContact OD1-CB 3.3Å; N733-N735 WeakPolarHBondContact OD1-CB 3.47Å; N733-N735 PolarHBondContact OD1-N 3.09Å; N733-N735 PolarHBondContact OD1-ND2 3.13Å; N733-L736 PolarHBondContact OD1-N 2.92Å; N733-N758 PolarHBondContact O-ND2 3.33Å
734	E	66.1	Low	69.1	Low	164 Å²	164	56.7 Å²	56.7	77%	0.766	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-4.6	174.8	-64.1	-180	171.2	0	0	113.1	T732 N758	T732-E734 VanDerWaalsContact C-N 3.27Å; T732-E734 PolarHBondContact O-N 2.9Å; E734-N758 WeakPolarHBondContact CA-ND2 3.35Å
735	N	73.7	Confident	71	Confident	69 Å²	69	60.5 Å²	60.5	37%	0.369	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-22.8	-173.9	-44.6	-89.5	0	0	0	114.5	P707 L709 Y710 N733 N737	P707-N735 PolarHBondContact O-ND2 3.19Å; L709-N735 CarbonylContact O-C 3.52Å; Y710-N735 WeakPolarHBondContact CA-O 3.25Å; Y710-N735 WeakPolarHBondContact CD2-O 3.13Å; N733-N735 PolarHBondContact O-N 3.47Å; N733-N735 VanDerWaalsContact O-N 3.14Å; N733-N735 WeakPolarHBondContact OD1-CA 3.5Å; N733-N735 VanDerWaalsContact OD1-CB 3.3Å; N733-N735 WeakPolarHBondContact OD1-CB 3.47Å; N733-N735 PolarHBondContact OD1-N 3.09Å; N733-N735 PolarHBondContact OD1-ND2 3.13Å; N735-N737 PolarHBondContact O-N 3.09Å
736	L	83.8	Confident	73	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.016	29%	0.289	C	S	.	.			trans	-70.9	100	-170.1	-167.7	77.2	0	0	0	111.6	L709 L712 W731 N733 L739 N758 I759	L709-L736 HydrophobicContact CB-CD1 4.26Å; L709-L736 HydrophobicContact CD2-CD1 4.06Å; L709-L736 HydrophobicContact CG-CD1 3.8Å; L709-L736 WeakPolarHBondContact O-CA 3.42Å; L709-L736 WeakPolarHBondContact O-CB 3.39Å; L709-L736 WeakPolarHBondContact O-CD1 3.25Å; L709-L736 PolarHBondContact O-N 2.99Å; L712-L736 HydrophobicContact CB-CD1 3.96Å; L712-L736 HydrophobicContact CB-CD2 4.43Å; W731-L736 HydrophobicContact CH2-CB 3.81Å; W731-L736 HydrophobicContact CH2-CD2 3.82Å; W731-L736 HydrophobicContact CH2-CG 4.31Å; W731-L736 HydrophobicContact CZ2-CB 3.63Å; W731-L736 HydrophobicContact CZ2-CD2 3.55Å; W731-L736 HydrophobicContact CZ2-CG 4.18Å; N733-L736 PolarHBondContact OD1-N 2.92Å; L736-L739 HydrophobicContact CD2-CB 4.32Å; L736-L739 HydrophobicContact CD2-CD1 4.45Å; L736-N758 CarbonylContact O-C 3.29Å; L736-I759 WeakPolarHBondContact O-CA 3.43Å; L736-I759 WeakPolarHBondContact O-CG1 3.23Å
737	N	89.1	Confident	75.1	Confident	24 Å²	24	49.7 Å²	49.7	13%	0.128	27%	0.267	C	S	.	.			trans	-92.4	-38.5	-170.6	180	-101.4	0	0	0	112.6	Y710 N735 T760 R761	Y710-N737 HydrophobicContact CD1-CB 4.28Å; Y710-N737 HydrophobicContact CD2-CB 3.75Å; Y710-N737 HydrophobicContact CE1-CB 3.92Å; Y710-N737 HydrophobicContact CE2-CB 3.37Å; Y710-N737 HydrophobicContact CG-CB 4.17Å; Y710-N737 VanDerWaalsContact CZ-CB 3.42Å; Y710-N737 VanDerWaalsContact CZ-CG 3.42Å; Y710-N737 WeakPolarHBondContact O-CB 3.37Å; Y710-N737 PolarHBondContact O-N 2.91Å; Y710-N737 PolarHBondContact OH-OD1 3.17Å; Y710-N737 VanDerWaalsContact OH-OD1 3.1Å; N735-N737 PolarHBondContact O-N 3.09Å; N737-T760 VanDerWaalsContact CG-OG1 3.25Å; N737-T760 WeakPolarHBondContact ND2-CG2 3.29Å; N737-T760 PolarHBondContact ND2-OG1 2.96Å; N737-T760 PolarHBondContact O-N 3.5Å; N737-T760 PolarHBondContact O-OG1 2.82Å; N737-T760 PolarHBondContact OD1-OG1 2.98Å; N737-R761 PolarHBondContact O-N 3.14Å
738	L	91.6	Very high	76.9	Confident	22 Å²	22	49.7 Å²	49.7	12%	0.115	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.6	178.3	-170.6	159.2	0	0	0	109.9	Y710 Q711 L712 D740 R761	Y710-L738 PolarHBondContact O-N 3.05Å; Y710-L738 VanDerWaalsContact O-N 3.16Å; Q711-L738 WeakPolarHBondContact CA-O 3.32Å; Q711-L738 HydrophobicContact CB-CB 4.09Å; Q711-L738 HydrophobicContact CG-CB 3.88Å; L712-L738 PolarHBondContact N-O 3.17Å; L738-D740 HydrophobicContact CD2-CB 4.23Å; L738-R761 WeakPolarHBondContact CA-O 3.24Å; L738-R761 HydrophobicContact CG-CB 4.37Å; L738-R761 HydrophobicContact CG-CG 4.25Å
739	L	91.7	Very high	78.5	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	114.6	170.4	178.3	57.1	0	0	0	109.3	L712 L736 L741 I759 R761 L762 Q763	L712-L739 HydrophobicContact CB-CD1 4.02Å; L712-L739 HydrophobicContact CD2-CD1 3.84Å; L712-L739 HydrophobicContact CG-CD1 4.03Å; L736-L739 HydrophobicContact CD2-CB 4.32Å; L736-L739 HydrophobicContact CD2-CD1 4.45Å; L739-L741 HydrophobicContact CD1-CD1 4.23Å; L739-L741 HydrophobicContact CD1-CD2 4.27Å; L739-L741 HydrophobicContact CD1-CG 3.97Å; L739-L741 HydrophobicContact CD2-CD1 3.93Å; L739-L741 HydrophobicContact CD2-CG 4.49Å; L739-L741 HydrophobicContact CG-CD1 4Å; L739-L741 HydrophobicContact CG-CG 4.02Å; L739-I759 HydrophobicContact CB-CD1 3.79Å; L739-I759 HydrophobicContact CD2-CD1 3.67Å; L739-I759 HydrophobicContact CG-CD1 4.4Å; L739-R761 PolarHBondContact N-O 3.22Å; L739-L762 HydrophobicContact CB-CD1 4.16Å; L739-L762 HydrophobicContact CD2-CD1 3.98Å; L739-L762 HydrophobicContact CG-CD1 4.12Å; L739-Q763 PolarHBondContact O-N 3.36Å
740	D	94.6	Very high	79.4	Confident	14 Å²	14	45.9 Å²	45.9	8%	0.075	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.8	171.9	-179.2	29.9	0	0	0	111.4	L712 A714 S715 L738 S742 Q763	L712-D740 PolarHBondContact O-N 3.16Å; A714-D740 CarbonylContact C-O 3.52Å; A714-D740 PolarHBondContact N-O 3.43Å; S715-D740 VanDerWaalsContact CB-OD2 3.23Å; S715-D740 WeakPolarHBondContact CB-OD2 3.47Å; S715-D740 PolarHBondContact OG-OD2 3.18Å; L738-D740 HydrophobicContact CD2-CB 4.23Å; D740-S742 WeakPolarHBondContact OD1-CB 3.38Å; D740-S742 PolarHBondContact OD1-N 3.37Å; D740-S742 PolarHBondContact OD1-OG 3.15Å; D740-Q763 HydrophobicContact CB-CB 4.28Å; D740-Q763 WeakPolarHBondContact OD1-CB 3.43Å
741	L	93.9	Very high	79.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.			trans	-126.5	24.9	176.6	-65.2	172.1	0	0	0	110.6	L697 A714 I719 I722 L739 N744 I746 Q763 L764 N767	L697-L741 HydrophobicContact CD2-CD2 4.18Å; A714-L741 HydrophobicContact CB-CD2 4.03Å; I719-L741 HydrophobicContact CD1-CD2 3.73Å; I722-L741 HydrophobicContact CD1-CD1 3.55Å; I722-L741 HydrophobicContact CG1-CD1 4.23Å; L739-L741 HydrophobicContact CD1-CD1 4.23Å; L739-L741 HydrophobicContact CD1-CD2 4.27Å; L739-L741 HydrophobicContact CD1-CG 3.97Å; L739-L741 HydrophobicContact CD2-CD1 3.93Å; L739-L741 HydrophobicContact CD2-CG 4.49Å; L739-L741 HydrophobicContact CG-CD1 4Å; L739-L741 HydrophobicContact CG-CG 4.02Å; L741-N744 PolarHBondContact O-ND2 3.37Å; L741-I746 HydrophobicContact CB-CD1 3.92Å; L741-I746 HydrophobicContact CD1-CD1 4.06Å; L741-I746 HydrophobicContact CG-CD1 4.5Å; L741-Q763 PolarHBondContact N-O 2.83Å; L741-L764 HydrophobicContact CB-CD2 4.04Å; L741-L764 HydrophobicContact CD1-CD2 4.3Å; L741-N767 PolarHBondContact O-ND2 3.35Å
742	S	95.5	Very high	79.4	Confident	15 Å²	15	47 Å²	47	11%	0.105	25%	0.251	C	S	.	.			trans	-63.4	156	177.6	-51.3	0	0	0	0	111.6	S715 S716 D740 N744 S765	S715-S742 CarbonylContact C-O 3.42Å; S715-S742 WeakPolarHBondContact CA-O 3.12Å; S715-S742 WeakPolarHBondContact CB-O 3.42Å; S716-S742 PolarHBondContact N-O 2.59Å; D740-S742 WeakPolarHBondContact OD1-CB 3.38Å; D740-S742 PolarHBondContact OD1-N 3.37Å; D740-S742 PolarHBondContact OD1-OG 3.15Å; S742-N744 PolarHBondContact O-ND2 3.24Å; S742-S765 CarbonylContact C-O 3.44Å; S742-S765 WeakPolarHBondContact CA-O 3.36Å
743	D	96.4	Very high	79.3	Confident	83 Å²	83	43.8 Å²	43.8	44%	0.444	23%	0.232	S	C	.	.	S	Bend	trans	54.2	61.8	177.5	-164.8	50.8	0	0	0	111.9	S716 N717 S765 S766	S716-D743 CarbonylContact C-O 3.58Å; S716-D743 WeakPolarHBondContact CA-O 3.36Å; S716-D743 WeakPolarHBondContact CA-OD2 3.21Å; S716-D743 VanDerWaalsContact CB-OD2 3.3Å; S716-D743 WeakPolarHBondContact CB-OD2 3.2Å; S716-D743 PolarHBondContact N-O 2.72Å; S716-D743 PolarHBondContact OG-OD2 2.79Å; N717-D743 PolarHBondContact N-O 2.95Å; N717-D743 VanDerWaalsContact N-O 3.15Å; D743-S765 PolarHBondContact N-O 2.66Å; D743-S766 WeakPolarHBondContact CA-O 3.47Å
744	N	94.7	Very high	79	Confident	9 Å²	9	43.8 Å²	43.8	5%	0.048	23%	0.232	C	C	.	.	S	Bend	trans	-142.2	172.6	-178.8	-89	-93.2	0	0	0	109.9	A714 N717 I719 L741 S742 I746 S766 N767	A714-N744 PolarHBondContact O-ND2 3.42Å; N717-N744 WeakPolarHBondContact CA-OD1 3.19Å; N717-N744 WeakPolarHBondContact CB-OD1 3.17Å; N717-N744 PolarHBondContact O-OD1 3.33Å; I719-N744 HydrophobicContact CB-CB 4.45Å; I719-N744 WeakPolarHBondContact CB-OD1 3.43Å; I719-N744 VanDerWaalsContact CG1-OD1 3.28Å; I719-N744 WeakPolarHBondContact CG1-OD1 3.5Å; I719-N744 PolarHBondContact N-OD1 2.69Å; L741-N744 PolarHBondContact O-ND2 3.37Å; S742-N744 PolarHBondContact O-ND2 3.24Å; N744-I746 VanDerWaalsContact C-N 3.33Å; N744-I746 HydrophobicContact CB-CD1 4.47Å; N744-I746 HydrophobicContact CB-CG1 4.17Å; N744-I746 PolarHBondContact O-N 2.84Å; N744-S766 PolarHBondContact N-O 3.4Å; N744-N767 VanDerWaalsContact C-OD1 3.25Å; N744-N767 VanDerWaalsContact CB-OD1 3.29Å; N744-N767 WeakPolarHBondContact CB-OD1 3.15Å; N744-N767 WeakPolarHBondContact O-CA 3.39Å; N744-N767 PolarHBondContact O-OD1 3.27Å; N744-N767 VanDerWaalsContact O-OD1 3.05Å
745	E	92.6	Very high	78.5	Confident	94 Å²	94	38 Å²	38	44%	0.439	21%	0.209	S	C	.	.			trans	-91.4	22.9	-178.6	-63.7	-169.6	-164.7	0	0	113.7	I719 T720 T747 I768	I719-E745 CarbonylContact O-C 3.57Å; I719-E745 VanDerWaalsContact O-C 3.26Å; I719-E745 PolarHBondContact O-N 3.27Å; T720-E745 HydrophobicContact CG2-CB 3.92Å; E745-T747 PolarHBondContact O-N 2.91Å; E745-I768 HydrophobicContact CB-CD1 4.16Å; E745-I768 HydrophobicContact CG-CD1 4.39Å
746	I	89.9	Confident	78.1	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.			trans	-67.9	124.5	-172.5	-51.9	172.5	0	0	0	110	I719 I722 L741 N744 I749 L764 N767 I768 L769	I719-I746 HydrophobicContact CB-CG1 4.47Å; I719-I746 HydrophobicContact CG2-CD1 4.43Å; I719-I746 HydrophobicContact CG2-CG1 4.24Å; I719-I746 WeakPolarHBondContact O-CG1 3.3Å; I719-I746 PolarHBondContact O-N 3.35Å; I719-I746 VanDerWaalsContact O-N 3.09Å; I722-I746 HydrophobicContact CG1-CD1 4.4Å; L741-I746 HydrophobicContact CB-CD1 3.92Å; L741-I746 HydrophobicContact CD1-CD1 4.06Å; L741-I746 HydrophobicContact CG-CD1 4.5Å; N744-I746 VanDerWaalsContact C-N 3.33Å; N744-I746 HydrophobicContact CB-CD1 4.47Å; N744-I746 HydrophobicContact CB-CG1 4.17Å; N744-I746 PolarHBondContact O-N 2.84Å; I746-I749 HydrophobicContact CG2-CG1 4.16Å; I746-L764 HydrophobicContact CD1-CD2 3.95Å; I746-N767 WeakPolarHBondContact CB-OD1 3.29Å; I746-N767 WeakPolarHBondContact CG1-OD1 3.46Å; I746-N767 PolarHBondContact N-OD1 2.93Å; I746-I768 CarbonylContact O-C 3.18Å; I746-I768 VanDerWaalsContact O-C 3.3Å; I746-I768 WeakPolarHBondContact O-CA 3.47Å; I746-I768 PolarHBondContact O-N 2.98Å; I746-L769 HydrophobicContact CB-CD2 4.26Å; I746-L769 HydrophobicContact CG2-CD2 3.78Å; I746-L769 WeakPolarHBondContact O-CD2 3.45Å; I746-L769 PolarHBondContact O-N 2.8Å
747	T	85.1	Confident	77.4	Confident	65 Å²	65	36.5 Å²	36.5	40%	0.399	20%	0.202	S	C	.	.			trans	-104	-36.4	179.5	49.2	0	0	0	0	113	T720 E745 I768	T720-T747 PolarHBondContact O-N 3.33Å; E745-T747 PolarHBondContact O-N 2.91Å; T747-I768 HydrophobicContact CG2-CB 4.11Å
748	V	77.9	Confident	76.8	Confident	59 Å²	59	37 Å²	37	36%	0.358	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-144	145.4	-179.6	-178.9	0	0	0	0	109.1
749	I	75.6	Confident	76.6	Confident	4 Å²	4	36 Å²	36	2%	0.021	20%	0.199	C	C	.	.			trans	-107.7	107	168.9	-58.6	166	0	0	0	107.5	I722 I746 Q751 L764 L769 P772 F773	I722-I749 HydrophobicContact CD1-CG1 4.28Å; I722-I749 HydrophobicContact CD1-CG2 4.21Å; I746-I749 HydrophobicContact CG2-CG1 4.16Å; I749-Q751 PolarHBondContact O-N 2.96Å; I749-L764 HydrophobicContact CD1-CD1 3.51Å; I749-L764 HydrophobicContact CD1-CD2 4.01Å; I749-L764 HydrophobicContact CD1-CG 4.43Å; I749-L769 HydrophobicContact CG1-CD2 4.41Å; I749-P772 HydrophobicContact CD1-CB 4.44Å; I749-P772 PolarHBondContact N-O 2.77Å; I749-F773 HydrophobicContact CB-CD1 3.89Å; I749-F773 HydrophobicContact CB-CE1 3.59Å; I749-F773 HydrophobicContact CD1-CE1 3.65Å; I749-F773 HydrophobicContact CD1-CZ 3.9Å; I749-F773 HydrophobicContact CG1-CE1 4.2Å; I749-F773 HydrophobicContact CG2-CD1 4.22Å; I749-F773 HydrophobicContact CG2-CE1 3.7Å
750	D	62.4	Low	76.6	Confident	76 Å²	76	36.6 Å²	36.6	41%	0.406	20%	0.203	S	C	.	.			trans	-66.8	124.2	177.1	-167.5	-16.8	0	0	0	109.7	D752	D750-D752 PolarHBondContact OD1-N 2.88Å
751	Q	55.9	Low	76.6	Confident	35 Å²	35	39.8 Å²	39.8	16%	0.164	21%	0.214	C	C	.	.			trans	-107.2	-14	-173.6	-118	-170.6	86.2	0	0	113.5	I749 S753 I754 F773 G776	I749-Q751 PolarHBondContact O-N 2.96Å; Q751-S753 PolarHBondContact O-N 3.32Å; Q751-I754 PolarHBondContact O-N 2.97Å; Q751-F773 HydrophobicContact CG-CD1 4.35Å; Q751-G776 PolarHBondContact NE2-O 3.06Å
752	D	49.6	Very low	76.5	Confident	147 Å²	147	39.9 Å²	39.9	79%	0.786	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.1	-175.8	-73.7	-8.3	0	0	0	112.7	D750	D750-D752 PolarHBondContact OD1-N 2.88Å
753	S	45.3	Very low	76.5	Confident	24 Å²	24	40.6 Å²	40.6	17%	0.168	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-6.8	-177.2	55.8	0	0	0	0	114.7	I724 Q751	I724-S753 PolarHBondContact O-OG 3.44Å; Q751-S753 PolarHBondContact O-N 3.32Å
754	I	53	Low	76.3	Confident	6 Å²	6	36.6 Å²	36.6	3%	0.031	20%	0.195	C	C	.	.			trans	-131.5	97	-170.8	-29.6	-178.3	0	0	0	113.3	I699 I722 I724 Q751 L756	I699-I754 HydrophobicContact CD1-CD1 4.03Å; I699-I754 HydrophobicContact CD1-CG2 4.28Å; I722-I754 HydrophobicContact CB-CD1 4.26Å; I722-I754 HydrophobicContact CG2-CD1 3.62Å; I724-I754 HydrophobicContact CB-CG1 4.23Å; I724-I754 HydrophobicContact CD1-CB 4.34Å; I724-I754 HydrophobicContact CD1-CD1 4.3Å; I724-I754 HydrophobicContact CD1-CG1 3.82Å; I724-I754 HydrophobicContact CD1-CG2 4.02Å; I724-I754 HydrophobicContact CG1-CD1 4.04Å; I724-I754 HydrophobicContact CG1-CG1 3.9Å; Q751-I754 PolarHBondContact O-N 2.97Å; I754-L756 HydrophobicContact CG2-CD2 3.48Å; I754-L756 VanDerWaalsContact CG2-CD2 3.48Å; I754-L756 HydrophobicContact CG2-CG 3.89Å; I754-L756 PolarHBondContact O-N 3.06Å; I754-L756 VanDerWaalsContact O-N 3.15Å
755	P	56.5	Low	76.4	Confident	43 Å²	43	36.8 Å²	36.8	28%	0.279	20%	0.197	S	C	.	.			trans	-75.5	97.4	159.5	18.2	-6.4	0	0	0	108.3	K730 T757	K730-P755 HydrophobicContact CG-CG 4.23Å; P755-T757 HydrophobicContact CB-CG2 3.72Å; P755-T757 PolarHBondContact O-N 2.85Å
756	L	65.4	Low	76.6	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.031	19%	0.194	C	C	.	.			trans	-72.1	38.4	172.3	-69	-175.6	0	0	0	112.3	W731 I754 N758 I759 L762 F777	W731-L756 HydrophobicContact CE3-CD2 4.12Å; W731-L756 HydrophobicContact CH2-CD2 4.37Å; W731-L756 HydrophobicContact CZ3-CD2 3.85Å; I754-L756 HydrophobicContact CG2-CD2 3.48Å; I754-L756 VanDerWaalsContact CG2-CD2 3.48Å; I754-L756 HydrophobicContact CG2-CG 3.89Å; I754-L756 PolarHBondContact O-N 3.06Å; I754-L756 VanDerWaalsContact O-N 3.15Å; L756-N758 PolarHBondContact O-N 3.39Å; L756-I759 HydrophobicContact CB-CD1 4.21Å; L756-I759 HydrophobicContact CD1-CD1 4.35Å; L756-I759 HydrophobicContact CD2-CD1 3.86Å; L756-I759 HydrophobicContact CG-CD1 4.37Å; L756-L762 HydrophobicContact CD1-CD2 4.17Å; L756-F777 HydrophobicContact CB-CE2 4.07Å; L756-F777 HydrophobicContact CB-CZ 3.96Å; L756-F777 HydrophobicContact CD1-CE2 4.12Å; L756-F777 HydrophobicContact CD1-CZ 4.47Å
757	T	67.8	Low	76.8	Confident	34 Å²	34	35.1 Å²	35.1	21%	0.209	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.1	-165	50.6	0	0	0	0	115.2	P755 Y778 I781	P755-T757 HydrophobicContact CB-CG2 3.72Å; P755-T757 PolarHBondContact O-N 2.85Å; T757-Y778 WeakPolarHBondContact CG2-O 3.47Å; T757-I781 WeakPolarHBondContact O-CG1 3.11Å
758	N	77.5	Confident	77.2	Confident	33 Å²	33	35.7 Å²	35.7	18%	0.176	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-5.3	-171	-50.5	-16.4	0	0	0	112.7	W731 N733 E734 L736 L756 I781	W731-N758 HydrophobicContact CZ3-CB 4.35Å; N733-N758 PolarHBondContact O-ND2 3.33Å; E734-N758 WeakPolarHBondContact CA-ND2 3.35Å; L736-N758 CarbonylContact O-C 3.29Å; L756-N758 PolarHBondContact O-N 3.39Å; N758-I781 WeakPolarHBondContact O-CD1 3.33Å
759	I	86.9	Confident	77.7	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.178	C	C	.	.			trans	-81.3	131.4	176.8	-61.6	176.8	0	0	0	108.8	W731 L736 L739 L756 R761 L762 L782	W731-I759 HydrophobicContact CH2-CD1 3.84Å; W731-I759 HydrophobicContact CH2-CG1 3.62Å; W731-I759 HydrophobicContact CZ3-CD1 4.11Å; W731-I759 HydrophobicContact CZ3-CG1 3.88Å; L736-I759 WeakPolarHBondContact O-CA 3.43Å; L736-I759 WeakPolarHBondContact O-CG1 3.23Å; L739-I759 HydrophobicContact CB-CD1 3.79Å; L739-I759 HydrophobicContact CD2-CD1 3.67Å; L739-I759 HydrophobicContact CG-CD1 4.4Å; L756-I759 HydrophobicContact CB-CD1 4.21Å; L756-I759 HydrophobicContact CD1-CD1 4.35Å; L756-I759 HydrophobicContact CD2-CD1 3.86Å; L756-I759 HydrophobicContact CG-CD1 4.37Å; I759-R761 WeakPolarHBondContact CG2-O 3.23Å; I759-L762 HydrophobicContact CD1-CD1 4.45Å; I759-L762 HydrophobicContact CG2-CB 4.04Å; I759-L782 HydrophobicContact CB-CD1 4.29Å; I759-L782 HydrophobicContact CG2-CD1 3.8Å; I759-L782 VanDerWaalsContact O-CA 3.31Å; I759-L782 WeakPolarHBondContact O-CA 3.49Å; I759-L782 WeakPolarHBondContact O-CD1 3.09Å; I759-L782 PolarHBondContact O-N 3.02Å
760	T	91.9	Very high	78.2	Confident	21 Å²	21	37.1 Å²	37.1	13%	0.129	20%	0.201	C	C	.	.	S	Bend	trans	-96.3	-25.2	166.5	66.5	0	0	0	0	112.2	N737 I781 Q783 E784	N737-T760 VanDerWaalsContact CG-OG1 3.25Å; N737-T760 WeakPolarHBondContact ND2-CG2 3.29Å; N737-T760 PolarHBondContact ND2-OG1 2.96Å; N737-T760 PolarHBondContact O-N 3.5Å; N737-T760 PolarHBondContact O-OG1 2.82Å; N737-T760 PolarHBondContact OD1-OG1 2.98Å; T760-I781 HydrophobicContact CG2-CD1 4.06Å; T760-I781 HydrophobicContact CG2-CG1 3.93Å; T760-I781 WeakPolarHBondContact CG2-O 3.08Å; T760-Q783 CarbonylContact O-C 3.55Å; T760-Q783 WeakPolarHBondContact O-CA 3.17Å; T760-Q783 WeakPolarHBondContact O-CB 3.02Å; T760-Q783 PolarHBondContact O-N 3.31Å; T760-E784 PolarHBondContact O-N 3.5Å
761	R	94.3	Very high	79.1	Confident	80 Å²	80	38.5 Å²	38.5	30%	0.302	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	114.8	177.2	175.6	176	171.8	128.1	-10.7	111.8	N737 L738 L739 I759 Q763 E784	N737-R761 PolarHBondContact O-N 3.14Å; L738-R761 WeakPolarHBondContact CA-O 3.24Å; L738-R761 HydrophobicContact CG-CB 4.37Å; L738-R761 HydrophobicContact CG-CG 4.25Å; L739-R761 PolarHBondContact N-O 3.22Å; I759-R761 WeakPolarHBondContact CG2-O 3.23Å; R761-Q763 HydrophobicContact CG-CG 4.28Å; R761-E784 WeakPolarHBondContact CA-O 3.17Å; R761-E784 HydrophobicContact CB-CB 4.22Å; R761-E784 WeakPolarHBondContact CD-OE2 3.17Å; R761-E784 HydrophobicContact CG-CB 4.09Å; R761-E784 IonicContact CZ-OE2 3.57Å; R761-E784 IonicContact NE-OE2 3.28Å; R761-E784 IonicContact NH1-OE2 2.7Å; R761-E784 PolarHBondContact NH1-OE2 3.01Å
762	L	92.7	Very high	79.9	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.7	177.4	-179.9	58.6	0	0	0	109.8	L739 L756 I759 L764 F777 L782 E784 L785 I786	L739-L762 HydrophobicContact CB-CD1 4.16Å; L739-L762 HydrophobicContact CD2-CD1 3.98Å; L739-L762 HydrophobicContact CG-CD1 4.12Å; L756-L762 HydrophobicContact CD1-CD2 4.17Å; I759-L762 HydrophobicContact CD1-CD1 4.45Å; I759-L762 HydrophobicContact CG2-CB 4.04Å; L762-L764 HydrophobicContact CD1-CD1 4.31Å; L762-L764 HydrophobicContact CD1-CG 4.28Å; L762-L764 HydrophobicContact CD2-CD1 3.89Å; L762-L764 HydrophobicContact CG-CD1 3.87Å; L762-L764 HydrophobicContact CG-CG 4.19Å; L762-F777 HydrophobicContact CD2-CZ 4.38Å; L762-L782 HydrophobicContact CB-CD1 3.85Å; L762-E784 PolarHBondContact N-O 2.82Å; L762-L785 HydrophobicContact CB-CD1 4.33Å; L762-L785 HydrophobicContact CD2-CD1 4.11Å; L762-L785 HydrophobicContact CG-CD1 4.34Å; L762-I786 PolarHBondContact O-N 3.05Å
763	Q	94.8	Very high	81	Confident	30 Å²	30	29.9 Å²	29.9	14%	0.14	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.2	177.1	-55.9	-179	-133.2	0	0	111.1	L739 D740 L741 R761 I786	L739-Q763 PolarHBondContact O-N 3.36Å; D740-Q763 HydrophobicContact CB-CB 4.28Å; D740-Q763 WeakPolarHBondContact OD1-CB 3.43Å; L741-Q763 PolarHBondContact N-O 2.83Å; R761-Q763 HydrophobicContact CG-CG 4.28Å; Q763-I786 HydrophobicContact CB-CB 4.47Å; Q763-I786 HydrophobicContact CG-CB 4.31Å; Q763-I786 HydrophobicContact CG-CD1 3.95Å; Q763-I786 HydrophobicContact CG-CG1 4.14Å
764	L	93.9	Very high	81.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.			trans	-139	24.7	-175.8	-69.7	160.6	0	0	0	110.3	L741 I746 I749 L762 N767 L769 I786 L787 N790	L741-L764 HydrophobicContact CB-CD2 4.04Å; L741-L764 HydrophobicContact CD1-CD2 4.3Å; I746-L764 HydrophobicContact CD1-CD2 3.95Å; I749-L764 HydrophobicContact CD1-CD1 3.51Å; I749-L764 HydrophobicContact CD1-CD2 4.01Å; I749-L764 HydrophobicContact CD1-CG 4.43Å; L762-L764 HydrophobicContact CD1-CD1 4.31Å; L762-L764 HydrophobicContact CD1-CG 4.28Å; L762-L764 HydrophobicContact CD2-CD1 3.89Å; L762-L764 HydrophobicContact CG-CD1 3.87Å; L762-L764 HydrophobicContact CG-CG 4.19Å; L764-N767 PolarHBondContact O-ND2 3.02Å; L764-L769 HydrophobicContact CB-CD1 4.08Å; L764-L769 HydrophobicContact CD1-CD1 4.38Å; L764-I786 WeakPolarHBondContact CA-O 3.42Å; L764-I786 PolarHBondContact N-O 2.99Å; L764-L787 HydrophobicContact CB-CD2 3.88Å; L764-L787 HydrophobicContact CD1-CD2 3.78Å; L764-N790 PolarHBondContact O-ND2 3.14Å
765	S	95.7	Very high	82.5	Confident	13 Å²	13	39.6 Å²	39.6	9%	0.091	21%	0.207	C	C	.	.			trans	-61.8	154.6	-179.2	-54.4	0	0	0	0	111.1	S742 D743 N767 I786 D788	S742-S765 CarbonylContact C-O 3.44Å; S742-S765 WeakPolarHBondContact CA-O 3.36Å; D743-S765 PolarHBondContact N-O 2.66Å; S765-N767 VanDerWaalsContact C-N 3.33Å; S765-N767 PolarHBondContact O-N 3.03Å; S765-N767 PolarHBondContact O-ND2 3.15Å; S765-I786 VanDerWaalsContact OG-CG2 3.26Å; S765-I786 WeakPolarHBondContact OG-CG2 3.42Å; S765-D788 CarbonylContact C-O 3.23Å; S765-D788 VanDerWaalsContact CA-O 3.27Å; S765-D788 WeakPolarHBondContact CA-O 3.31Å; S765-D788 WeakPolarHBondContact CB-OD1 3.4Å; S765-D788 PolarHBondContact OG-OD1 2.58Å
766	S	96.6	Very high	82.9	Confident	52 Å²	52	37.6 Å²	37.6	36%	0.364	19%	0.194	S	C	.	.	S	Bend	trans	53.1	45.6	176.4	-56.6	0	0	0	0	113.8	D743 N744 D788 H789	D743-S766 WeakPolarHBondContact CA-O 3.47Å; N744-S766 PolarHBondContact N-O 3.4Å; S766-D788 PolarHBondContact N-O 3.28Å; S766-H789 WeakPolarHBondContact CA-O 3.07Å
767	N	94.4	Very high	83.5	Confident	7 Å²	7	37.5 Å²	37.5	4%	0.037	19%	0.193	C	C	.	.	S	Bend	trans	-116.6	-178.6	175.6	-86.5	-100	0	0	0	110.7	L741 N744 I746 L764 S765 L769 N790	L741-N767 PolarHBondContact O-ND2 3.35Å; N744-N767 VanDerWaalsContact C-OD1 3.25Å; N744-N767 VanDerWaalsContact CB-OD1 3.29Å; N744-N767 WeakPolarHBondContact CB-OD1 3.15Å; N744-N767 WeakPolarHBondContact O-CA 3.39Å; N744-N767 PolarHBondContact O-OD1 3.27Å; N744-N767 VanDerWaalsContact O-OD1 3.05Å; I746-N767 WeakPolarHBondContact CB-OD1 3.29Å; I746-N767 WeakPolarHBondContact CG1-OD1 3.46Å; I746-N767 PolarHBondContact N-OD1 2.93Å; L764-N767 PolarHBondContact O-ND2 3.02Å; S765-N767 VanDerWaalsContact C-N 3.33Å; S765-N767 PolarHBondContact O-N 3.03Å; S765-N767 PolarHBondContact O-ND2 3.15Å; N767-L769 HydrophobicContact CB-CD1 4.47Å; N767-L769 HydrophobicContact CB-CG 4.18Å; N767-N790 WeakPolarHBondContact CA-OD1 3.24Å; N767-N790 WeakPolarHBondContact CB-OD1 3.45Å; N767-N790 PolarHBondContact N-ND2 2.89Å; N767-N790 WeakPolarHBondContact O-CA 3.33Å; N767-N790 PolarHBondContact O-OD1 2.86Å; N767-N790 VanDerWaalsContact O-OD1 3.08Å
768	I	92.5	Very high	83.9	Confident	77 Å²	77	40.9 Å²	40.9	40%	0.395	20%	0.203	S	C	.	.			trans	-103.8	21.9	-175.6	-32.9	-178.7	0	0	0	111.5	E745 I746 T747 N770	E745-I768 HydrophobicContact CB-CD1 4.16Å; E745-I768 HydrophobicContact CG-CD1 4.39Å; I746-I768 CarbonylContact O-C 3.18Å; I746-I768 VanDerWaalsContact O-C 3.3Å; I746-I768 WeakPolarHBondContact O-CA 3.47Å; I746-I768 PolarHBondContact O-N 2.98Å; T747-I768 HydrophobicContact CG2-CB 4.11Å; I768-N770 PolarHBondContact O-N 2.91Å
769	L	90.4	Very high	84.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.			trans	-64.3	131.1	-176.6	-55.7	169	0	0	0	110.9	I746 I749 L764 N767 P772 L787 N790 N791 L792	I746-L769 HydrophobicContact CB-CD2 4.26Å; I746-L769 HydrophobicContact CG2-CD2 3.78Å; I746-L769 WeakPolarHBondContact O-CD2 3.45Å; I746-L769 PolarHBondContact O-N 2.8Å; I749-L769 HydrophobicContact CG1-CD2 4.41Å; L764-L769 HydrophobicContact CB-CD1 4.08Å; L764-L769 HydrophobicContact CD1-CD1 4.38Å; N767-L769 HydrophobicContact CB-CD1 4.47Å; N767-L769 HydrophobicContact CB-CG 4.18Å; L769-P772 HydrophobicContact CB-CB 4.4Å; L769-P772 HydrophobicContact CD1-CB 4.22Å; L769-P772 HydrophobicContact CD2-CB 4.11Å; L769-P772 HydrophobicContact CG-CB 4.48Å; L769-L787 HydrophobicContact CD1-CD2 3.66Å; L769-N790 HydrophobicContact CB-CB 4.46Å; L769-N790 WeakPolarHBondContact CB-OD1 3.15Å; L769-N790 WeakPolarHBondContact CD1-OD1 3.21Å; L769-N790 WeakPolarHBondContact CG-OD1 3.27Å; L769-N790 PolarHBondContact N-OD1 2.83Å; L769-N790 VanDerWaalsContact N-OD1 3.08Å; L769-N791 CarbonylContact O-C 3.41Å; L769-N791 VanDerWaalsContact O-CA 3.27Å; L769-N791 WeakPolarHBondContact O-CA 3.3Å; L769-N791 PolarHBondContact O-N 2.92Å; L769-L792 HydrophobicContact CB-CD2 4.08Å; L769-L792 PolarHBondContact O-N 2.83Å
770	N	86	Confident	83.9	Confident	92 Å²	92	41.6 Å²	41.6	49%	0.492	21%	0.209	S	C	.	.	S	Bend	trans	-115.9	-42.1	175.8	60.7	2.9	0	0	0	112.7	I768	I768-N770 PolarHBondContact O-N 2.91Å
771	K	79.6	Confident	83.7	Confident	106 Å²	106	43.9 Å²	43.9	46%	0.461	22%	0.22	S	C	.	.	S	Bend	trans	-141.1	92.8	164.7	-173.2	-164.9	179.1	-162.6	0	106.6	F773 Q774	K771-F773 WeakPolarHBondContact CE-O 3.39Å; K771-F773 PolarHBondContact O-N 2.69Å; K771-Q774 PolarHBondContact NZ-O 3.34Å
772	P	73.7	Confident	83.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.			trans	-64.5	-29.4	-166.5	23	-33.6	0	0	0	113.3	I749 L769 L792 W797	I749-P772 HydrophobicContact CD1-CB 4.44Å; I749-P772 PolarHBondContact N-O 2.77Å; L769-P772 HydrophobicContact CB-CB 4.4Å; L769-P772 HydrophobicContact CD1-CB 4.22Å; L769-P772 HydrophobicContact CD2-CB 4.11Å; L769-P772 HydrophobicContact CG-CB 4.48Å; P772-L792 VanDerWaalsContact CD-CD2 3.5Å; P772-L792 HydrophobicContact CG-CD2 4.17Å; P772-W797 HydrophobicContact CG-CD2 4.37Å; P772-W797 HydrophobicContact CG-CH2 3.87Å; P772-W797 HydrophobicContact CG-CZ2 3.43Å; P772-W797 VanDerWaalsContact CG-CZ2 3.43Å; P772-W797 HydrophobicContact CG-CZ3 4.48Å
773	F	73.2	Confident	83.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.			trans	-132.3	145.7	-174.8	-49.1	-60.7	0	0	0	111	I749 Q751 K771 G776 F777 W797	I749-F773 HydrophobicContact CB-CD1 3.89Å; I749-F773 HydrophobicContact CB-CE1 3.59Å; I749-F773 HydrophobicContact CD1-CE1 3.65Å; I749-F773 HydrophobicContact CD1-CZ 3.9Å; I749-F773 HydrophobicContact CG1-CE1 4.2Å; I749-F773 HydrophobicContact CG2-CD1 4.22Å; I749-F773 HydrophobicContact CG2-CE1 3.7Å; Q751-F773 HydrophobicContact CG-CD1 4.35Å; K771-F773 WeakPolarHBondContact CE-O 3.39Å; K771-F773 PolarHBondContact O-N 2.69Å; F773-G776 WeakPolarHBondContact CB-O 3.24Å; F773-F777 HydrophobicContact CD1-CD2 4.18Å; F773-F777 HydrophobicContact CD2-CB 3.91Å; F773-F777 HydrophobicContact CD2-CD2 4.32Å; F773-F777 HydrophobicContact CD2-CG 4.41Å; F773-F777 AromaticContact CE1-CD2 3.6Å; F773-F777 HydrophobicContact CE1-CD2 3.6Å; F773-F777 HydrophobicContact CE1-CE2 4.08Å; F773-F777 HydrophobicContact CE2-CB 3.93Å; F773-F777 AromaticContact CE2-CD2 3.81Å; F773-F777 HydrophobicContact CE2-CD2 3.81Å; F773-F777 AromaticContact CE2-CG 3.98Å; F773-F777 HydrophobicContact CE2-CG 3.98Å; F773-F777 HydrophobicContact CG-CB 4.39Å; F773-F777 HydrophobicContact CG-CD2 4.49Å; F773-F777 HydrophobicContact CZ-CB 4.41Å; F773-F777 AromaticContact CZ-CD2 3.4Å; F773-F777 HydrophobicContact CZ-CD2 3.4Å; F773-F777 VanDerWaalsContact CZ-CD2 3.4Å; F773-F777 AromaticContact CZ-CE2 3.88Å; F773-F777 HydrophobicContact CZ-CE2 3.88Å; F773-F777 HydrophobicContact CZ-CG 4.03Å; F773-W797 HydrophobicContact CD2-CD2 4.25Å; F773-W797 AromaticContact CD2-CE3 3.57Å; F773-W797 HydrophobicContact CD2-CE3 3.57Å; F773-W797 HydrophobicContact CD2-CH2 4.1Å; F773-W797 AromaticContact CD2-CZ3 3.47Å; F773-W797 HydrophobicContact CD2-CZ3 3.47Å; F773-W797 VanDerWaalsContact CD2-CZ3 3.47Å; F773-W797 HydrophobicContact CE2-CE3 4.16Å; F773-W797 AromaticContact CE2-CH2 3.97Å; F773-W797 HydrophobicContact CE2-CH2 3.97Å; F773-W797 AromaticContact CE2-CZ3 3.55Å; F773-W797 HydrophobicContact CE2-CZ3 3.55Å
774	Q	64.1	Low	83.8	Confident	143 Å²	143	44.6 Å²	44.6	67%	0.668	23%	0.226	S	C	*	.	S	Bend	trans	-80.8	-42.4	-179.1	-60	-161.5	42.1	0	0	112.8	K771	K771-Q774 PolarHBondContact NZ-O 3.34Å
775	T	64.3	Low	83.8	Confident	92 Å²	92	44.6 Å²	44.6	56%	0.564	23%	0.226	S	C	*	.	S	Bend	trans	-138.3	83.4	-169.4	49.3	0	0	0	0	111
776	G	65.8	Low	83.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.225	C	C	.	.			trans	61.5	-159.9	-178.8	0	0	0	0	0	114.5	Q751 F773 D800	Q751-G776 PolarHBondContact NE2-O 3.06Å; F773-G776 WeakPolarHBondContact CB-O 3.24Å; G776-D800 WeakPolarHBondContact CA-O 3.38Å
777	F	76.6	Confident	83.8	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.018	21%	0.208	C	C	.	.			trans	-157.1	131.6	171.7	174.7	-94.8	0	0	0	109.9	L756 L762 F773 L782 S801 W802 L803	L756-F777 HydrophobicContact CB-CE2 4.07Å; L756-F777 HydrophobicContact CB-CZ 3.96Å; L756-F777 HydrophobicContact CD1-CE2 4.12Å; L756-F777 HydrophobicContact CD1-CZ 4.47Å; L762-F777 HydrophobicContact CD2-CZ 4.38Å; F773-F777 HydrophobicContact CD1-CD2 4.18Å; F773-F777 HydrophobicContact CD2-CB 3.91Å; F773-F777 HydrophobicContact CD2-CD2 4.32Å; F773-F777 HydrophobicContact CD2-CG 4.41Å; F773-F777 AromaticContact CE1-CD2 3.6Å; F773-F777 HydrophobicContact CE1-CD2 3.6Å; F773-F777 HydrophobicContact CE1-CE2 4.08Å; F773-F777 HydrophobicContact CE2-CB 3.93Å; F773-F777 AromaticContact CE2-CD2 3.81Å; F773-F777 HydrophobicContact CE2-CD2 3.81Å; F773-F777 AromaticContact CE2-CG 3.98Å; F773-F777 HydrophobicContact CE2-CG 3.98Å; F773-F777 HydrophobicContact CG-CB 4.39Å; F773-F777 HydrophobicContact CG-CD2 4.49Å; F773-F777 HydrophobicContact CZ-CB 4.41Å; F773-F777 AromaticContact CZ-CD2 3.4Å; F773-F777 HydrophobicContact CZ-CD2 3.4Å; F773-F777 VanDerWaalsContact CZ-CD2 3.4Å; F773-F777 AromaticContact CZ-CE2 3.88Å; F773-F777 HydrophobicContact CZ-CE2 3.88Å; F773-F777 HydrophobicContact CZ-CG 4.03Å; F777-L782 HydrophobicContact CE1-CD2 3.82Å; F777-L782 HydrophobicContact CZ-CD2 4.45Å; F777-S801 PolarHBondContact N-OG 3.27Å; F777-S801 CarbonylContact O-C 3.31Å; F777-S801 WeakPolarHBondContact O-CA 3.48Å; F777-W802 PolarHBondContact O-N 3.22Å; F777-L803 HydrophobicContact CD1-CD1 4.25Å; F777-L803 HydrophobicContact CD1-CD2 3.63Å; F777-L803 HydrophobicContact CD1-CG 4.13Å; F777-L803 HydrophobicContact CE1-CD2 3.75Å
778	Y	78	Confident	83.9	Confident	105 Å²	105	42.9 Å²	42.9	41%	0.412	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-106.6	79.6	-173	-67.1	-83.3	0	0	0	112.1	T757 W802	T757-Y778 WeakPolarHBondContact CG2-O 3.47Å; Y778-W802 HydrophobicContact CD1-CB 3.94Å; Y778-W802 HydrophobicContact CD1-CE3 4.32Å; Y778-W802 HydrophobicContact CE1-CB 4.28Å
779	G	80.7	Confident	84.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.			trans	-113.1	71.8	-178.6	0	0	0	0	0	112.6	I781 L782 W802	G779-I781 PolarHBondContact O-N 3.43Å; G779-I781 VanDerWaalsContact O-N 3.1Å; G779-L782 PolarHBondContact O-N 3.24Å; G779-W802 CarbonylContact C-O 3.56Å; G779-W802 PolarHBondContact N-O 3.12Å; G779-W802 VanDerWaalsContact N-O 3.16Å
780	V	83.7	Confident	84.4	Confident	49 Å²	49	43.8 Å²	43.8	30%	0.297	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-36.3	-171.5	-177.5	0	0	0	0	113.1	W802 P804 N805	V780-W802 HydrophobicContact CG2-CD2 4.41Å; V780-W802 HydrophobicContact CG2-CE3 3.7Å; V780-W802 HydrophobicContact CG2-CH2 4.19Å; V780-W802 HydrophobicContact CG2-CZ3 3.57Å; V780-P804 HydrophobicContact CG1-CG 4.41Å; V780-P804 WeakPolarHBondContact O-CG 3.17Å; V780-N805 PolarHBondContact O-ND2 3.24Å
781	I	87.8	Confident	84.8	Confident	70 Å²	70	41.7 Å²	41.7	36%	0.359	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	7	178.8	83.4	-179.8	0	0	0	114.3	T757 N758 T760 G779 Q783	T757-I781 WeakPolarHBondContact O-CG1 3.11Å; N758-I781 WeakPolarHBondContact O-CD1 3.33Å; T760-I781 HydrophobicContact CG2-CD1 4.06Å; T760-I781 HydrophobicContact CG2-CG1 3.93Å; T760-I781 WeakPolarHBondContact CG2-O 3.08Å; G779-I781 PolarHBondContact O-N 3.43Å; G779-I781 VanDerWaalsContact O-N 3.1Å; I781-Q783 PolarHBondContact O-N 3.08Å
782	L	91.3	Very high	85.5	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.181	C	C	.	.			trans	-66.5	126.6	-179.2	-167.8	74.2	0	0	0	110.5	I759 L762 F777 G779 L785 L803 N805 L806	I759-L782 HydrophobicContact CB-CD1 4.29Å; I759-L782 HydrophobicContact CG2-CD1 3.8Å; I759-L782 VanDerWaalsContact O-CA 3.31Å; I759-L782 WeakPolarHBondContact O-CA 3.49Å; I759-L782 WeakPolarHBondContact O-CD1 3.09Å; I759-L782 PolarHBondContact O-N 3.02Å; L762-L782 HydrophobicContact CB-CD1 3.85Å; F777-L782 HydrophobicContact CE1-CD2 3.82Å; F777-L782 HydrophobicContact CZ-CD2 4.45Å; G779-L782 PolarHBondContact O-N 3.24Å; L782-L785 HydrophobicContact CD2-CB 3.95Å; L782-L785 HydrophobicContact CD2-CD1 4.19Å; L782-L785 HydrophobicContact CD2-CD2 4.4Å; L782-L785 HydrophobicContact CD2-CG 4.4Å; L782-L803 HydrophobicContact CB-CD2 3.85Å; L782-L803 HydrophobicContact CD2-CD2 3.82Å; L782-L803 HydrophobicContact CG-CD2 4.41Å; L782-N805 CarbonylContact O-C 3.53Å; L782-L806 HydrophobicContact CD2-CD1 4.3Å; L782-L806 HydrophobicContact CG-CD1 4.36Å; L782-L806 VanDerWaalsContact O-CA 3.27Å; L782-L806 WeakPolarHBondContact O-CA 3.28Å; L782-L806 PolarHBondContact O-N 3.21Å; L782-L806 VanDerWaalsContact O-N 3.08Å
783	Q	95.1	Very high	86.4	Confident	66 Å²	66	40.5 Å²	40.5	31%	0.308	21%	0.205	S	C	.	.			trans	-110.1	-35.2	-178.5	-67.7	178.6	-12.9	0	0	112	T760 I781 N805 I807 Y808	T760-Q783 CarbonylContact O-C 3.55Å; T760-Q783 WeakPolarHBondContact O-CA 3.17Å; T760-Q783 WeakPolarHBondContact O-CB 3.02Å; T760-Q783 PolarHBondContact O-N 3.31Å; I781-Q783 PolarHBondContact O-N 3.08Å; Q783-N805 WeakPolarHBondContact CA-O 3.45Å; Q783-I807 HydrophobicContact CB-CD1 4.34Å; Q783-I807 HydrophobicContact CG-CD1 4.19Å; Q783-I807 WeakPolarHBondContact O-CA 3.22Å; Q783-I807 PolarHBondContact O-N 3.08Å; Q783-Y808 PolarHBondContact O-N 3.24Å
784	E	96.2	Very high	87.3	Confident	60 Å²	60	42.4 Å²	42.4	28%	0.28	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.8	179.5	-51.9	-169.4	161.5	0	0	110.7	T760 R761 L762 Y808	T760-E784 PolarHBondContact O-N 3.5Å; R761-E784 WeakPolarHBondContact CA-O 3.17Å; R761-E784 HydrophobicContact CB-CB 4.22Å; R761-E784 WeakPolarHBondContact CD-OE2 3.17Å; R761-E784 HydrophobicContact CG-CB 4.09Å; R761-E784 IonicContact CZ-OE2 3.57Å; R761-E784 IonicContact NE-OE2 3.28Å; R761-E784 IonicContact NH1-OE2 2.7Å; R761-E784 PolarHBondContact NH1-OE2 3.01Å; L762-E784 PolarHBondContact N-O 2.82Å; E784-Y808 WeakPolarHBondContact CA-O 3.48Å; E784-Y808 HydrophobicContact CB-CD1 4.43Å
785	L	95	Very high	88.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.6	174.2	-177.9	53.4	0	0	0	109.2	L762 L782 L787 L798 L803 L806 Y808 L809 N810	L762-L785 HydrophobicContact CB-CD1 4.33Å; L762-L785 HydrophobicContact CD2-CD1 4.11Å; L762-L785 HydrophobicContact CG-CD1 4.34Å; L782-L785 HydrophobicContact CD2-CB 3.95Å; L782-L785 HydrophobicContact CD2-CD1 4.19Å; L782-L785 HydrophobicContact CD2-CD2 4.4Å; L782-L785 HydrophobicContact CD2-CG 4.4Å; L785-L787 HydrophobicContact CD1-CD1 3.95Å; L785-L787 HydrophobicContact CD1-CG 4.06Å; L785-L787 HydrophobicContact CD2-CD1 3.89Å; L785-L787 HydrophobicContact CG-CD1 3.7Å; L785-L787 HydrophobicContact CG-CG 4.16Å; L785-L798 HydrophobicContact CD2-CD2 4.26Å; L785-L803 HydrophobicContact CD2-CD1 4.26Å; L785-L806 HydrophobicContact CB-CD1 3.81Å; L785-Y808 PolarHBondContact N-O 2.92Å; L785-L809 HydrophobicContact CB-CD1 4.02Å; L785-L809 HydrophobicContact CD2-CD1 4.02Å; L785-L809 HydrophobicContact CG-CD1 4.02Å; L785-L809 WeakPolarHBondContact O-CA 3.22Å; L785-N810 PolarHBondContact O-N 3.04Å
786	I	96.2	Very high	89.8	Confident	14 Å²	14	34.8 Å²	34.8	7%	0.072	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.9	-174.4	-39.7	-161.5	0	0	0	109.1	L762 Q763 L764 S765 D788 Y808 N810	L762-I786 PolarHBondContact O-N 3.05Å; Q763-I786 HydrophobicContact CB-CB 4.47Å; Q763-I786 HydrophobicContact CG-CB 4.31Å; Q763-I786 HydrophobicContact CG-CD1 3.95Å; Q763-I786 HydrophobicContact CG-CG1 4.14Å; L764-I786 WeakPolarHBondContact CA-O 3.42Å; L764-I786 PolarHBondContact N-O 2.99Å; S765-I786 VanDerWaalsContact OG-CG2 3.26Å; S765-I786 WeakPolarHBondContact OG-CG2 3.42Å; I786-D788 WeakPolarHBondContact CG2-OD1 3.48Å; I786-Y808 HydrophobicContact CD1-CD1 4.43Å; I786-Y808 HydrophobicContact CD1-CE1 3.87Å; I786-Y808 HydrophobicContact CG1-CD1 4.24Å; I786-Y808 HydrophobicContact CG1-CE1 3.88Å; I786-N810 HydrophobicContact CG2-CB 4.07Å
787	L	95.5	Very high	90.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.			trans	-137.6	20.8	-168.4	-73.8	164.2	0	0	0	111.9	L764 L769 L785 N790 L792 W797 N810 V811 N814	L764-L787 HydrophobicContact CB-CD2 3.88Å; L764-L787 HydrophobicContact CD1-CD2 3.78Å; L769-L787 HydrophobicContact CD1-CD2 3.66Å; L785-L787 HydrophobicContact CD1-CD1 3.95Å; L785-L787 HydrophobicContact CD1-CG 4.06Å; L785-L787 HydrophobicContact CD2-CD1 3.89Å; L785-L787 HydrophobicContact CG-CD1 3.7Å; L785-L787 HydrophobicContact CG-CG 4.16Å; L787-N790 PolarHBondContact O-ND2 2.89Å; L787-L792 HydrophobicContact CB-CD1 4.19Å; L787-W797 HydrophobicContact CD1-CH2 3.74Å; L787-W797 HydrophobicContact CD1-CZ2 4.27Å; L787-N810 CarbonylContact C-O 3.13Å; L787-N810 WeakPolarHBondContact CA-O 3.44Å; L787-N810 PolarHBondContact N-O 2.94Å; L787-V811 HydrophobicContact CB-CG1 4.15Å; L787-V811 HydrophobicContact CD1-CG1 4.3Å; L787-N814 PolarHBondContact O-ND2 2.85Å
788	D	96.2	Very high	91.3	Very high	21 Å²	21	35.1 Å²	35.1	11%	0.112	18%	0.18	C	C	.	.			trans	-71.9	166.5	-178.8	64.8	-71.9	0	0	0	113.2	S765 S766 I786 N790 N810 S812	S765-D788 CarbonylContact C-O 3.23Å; S765-D788 VanDerWaalsContact CA-O 3.27Å; S765-D788 WeakPolarHBondContact CA-O 3.31Å; S765-D788 WeakPolarHBondContact CB-OD1 3.4Å; S765-D788 PolarHBondContact OG-OD1 2.58Å; S766-D788 PolarHBondContact N-O 3.28Å; I786-D788 WeakPolarHBondContact CG2-OD1 3.48Å; D788-N790 PolarHBondContact O-N 3.03Å; D788-N790 PolarHBondContact O-ND2 3.39Å; D788-N810 WeakPolarHBondContact CB-ND2 3.46Å; D788-N810 PolarHBondContact OD1-ND2 3.42Å; D788-N810 VanDerWaalsContact OD1-ND2 3.16Å; D788-S812 WeakPolarHBondContact CA-O 3.41Å; D788-S812 VanDerWaalsContact CB-O 3.29Å; D788-S812 WeakPolarHBondContact CB-O 3.37Å; D788-S812 WeakPolarHBondContact CB-OG 3.11Å
789	H	97	Very high	91.5	Very high	90 Å²	90	31.8 Å²	31.8	42%	0.417	18%	0.177	S	C	.	.	S	Bend	trans	55.2	37.3	-179.7	-67.3	89.6	0	0	0	113.6	S766 S812 H813	S766-H789 WeakPolarHBondContact CA-O 3.07Å; H789-S812 PolarHBondContact N-O 3.45Å; H789-S812 VanDerWaalsContact N-O 3.15Å; H789-H813 VanDerWaalsContact CA-O 3.28Å; H789-H813 WeakPolarHBondContact CA-O 3.35Å; H789-H813 HydrophobicContact CB-CB 4.47Å; H789-H813 AromaticContact CD2-CG 3.89Å; H789-H813 AromaticContact CD2-ND1 3.77Å; H789-H813 AromaticContact CE1-CD2 3.8Å; H789-H813 AromaticContact CE1-CE1 3.98Å; H789-H813 AromaticContact CE1-CG 3.49Å; H789-H813 VanDerWaalsContact CE1-CG 3.49Å; H789-H813 AromaticContact CE1-ND1 3.61Å; H789-H813 PolarHBondContact N-O 3.41Å; H789-H813 AromaticContact NE2-CE1 3.62Å; H789-H813 AromaticContact NE2-CG 3.35Å; H789-H813 AromaticContact NE2-ND1 3.05Å; H789-H813 PolarHBondContact NE2-ND1 2.7Å
790	N	95.6	Very high	91.5	Very high	6 Å²	6	37 Å²	37	3%	0.032	21%	0.205	C	C	.	.	S	Bend	trans	-113.7	-174.3	178.9	-88.2	-96.3	0	0	0	111.4	L764 N767 L769 L787 D788 L792 H813 N814	L764-N790 PolarHBondContact O-ND2 3.14Å; N767-N790 WeakPolarHBondContact CA-OD1 3.24Å; N767-N790 WeakPolarHBondContact CB-OD1 3.45Å; N767-N790 PolarHBondContact N-ND2 2.89Å; N767-N790 WeakPolarHBondContact O-CA 3.33Å; N767-N790 PolarHBondContact O-OD1 2.86Å; N767-N790 VanDerWaalsContact O-OD1 3.08Å; L769-N790 HydrophobicContact CB-CB 4.46Å; L769-N790 WeakPolarHBondContact CB-OD1 3.15Å; L769-N790 WeakPolarHBondContact CD1-OD1 3.21Å; L769-N790 WeakPolarHBondContact CG-OD1 3.27Å; L769-N790 PolarHBondContact N-OD1 2.83Å; L769-N790 VanDerWaalsContact N-OD1 3.08Å; L787-N790 PolarHBondContact O-ND2 2.89Å; D788-N790 PolarHBondContact O-N 3.03Å; D788-N790 PolarHBondContact O-ND2 3.39Å; N790-L792 HydrophobicContact CB-CG 4.22Å; N790-H813 PolarHBondContact N-O 2.94Å; N790-N814 WeakPolarHBondContact CA-OD1 3.15Å; N790-N814 WeakPolarHBondContact CB-OD1 3.17Å; N790-N814 PolarHBondContact O-OD1 3.1Å; N790-N814 VanDerWaalsContact O-OD1 3.12Å
791	N	94.8	Very high	91.5	Very high	48 Å²	48	35 Å²	35	26%	0.257	19%	0.193	S	C	.	.			trans	-107.2	25.4	179.6	-69.7	-61.4	0	0	0	113.3	L769 T793 N814 R815	L769-N791 CarbonylContact O-C 3.41Å; L769-N791 VanDerWaalsContact O-CA 3.27Å; L769-N791 WeakPolarHBondContact O-CA 3.3Å; L769-N791 PolarHBondContact O-N 2.92Å; N791-T793 PolarHBondContact O-N 2.82Å; N791-N814 PolarHBondContact N-OD1 3.32Å; N791-R815 VanDerWaalsContact OD1-CZ 3.23Å; N791-R815 PolarHBondContact OD1-NE 3.22Å; N791-R815 PolarHBondContact OD1-NH2 3.38Å
792	L	94.2	Very high	91.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.			trans	-63.5	119.9	-179.2	-55.3	175.3	0	0	0	110.3	L769 P772 L787 N790 I795 N814 R815 I816	L769-L792 HydrophobicContact CB-CD2 4.08Å; L769-L792 PolarHBondContact O-N 2.83Å; P772-L792 VanDerWaalsContact CD-CD2 3.5Å; P772-L792 HydrophobicContact CG-CD2 4.17Å; L787-L792 HydrophobicContact CB-CD1 4.19Å; N790-L792 HydrophobicContact CB-CG 4.22Å; L792-I795 HydrophobicContact CD1-CG2 4.17Å; L792-N814 HydrophobicContact CB-CB 4.28Å; L792-N814 WeakPolarHBondContact CB-OD1 3.37Å; L792-N814 WeakPolarHBondContact CG-OD1 3.46Å; L792-N814 PolarHBondContact N-OD1 2.61Å; L792-R815 CarbonylContact O-C 3.37Å; L792-R815 VanDerWaalsContact O-CA 3.27Å; L792-R815 WeakPolarHBondContact O-CA 3.2Å; L792-R815 WeakPolarHBondContact O-CB 3.26Å; L792-R815 PolarHBondContact O-N 3.26Å; L792-I816 HydrophobicContact CB-CG1 4.28Å; L792-I816 PolarHBondContact O-N 3.42Å
793	T	92.9	Very high	91.2	Very high	81 Å²	81	35.5 Å²	35.5	50%	0.497	19%	0.191	S	C	.	.	S	Bend	trans	-94.5	-19.3	173.8	52	0	0	0	0	112.7	N791 R815	N791-T793 PolarHBondContact O-N 2.82Å; T793-R815 HydrophobicContact CG2-CB 4.12Å
794	S	92	Very high	90.9	Very high	40 Å²	40	33.8 Å²	33.8	28%	0.28	19%	0.185	S	C	.	.			trans	-153.4	149.4	177	166.9	0	0	0	0	109.6	N796 W797	S794-N796 PolarHBondContact OG-N 3.02Å; S794-N796 PolarHBondContact OG-OD1 2.62Å; S794-W797 PolarHBondContact O-NE1 2.91Å
795	I	92.1	Very high	90.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.			trans	-116.5	21.4	174.7	55.7	171.2	0	0	0	112.2	L792 W797 L798 V811 I816 L819 P820 I832	L792-I795 HydrophobicContact CD1-CG2 4.17Å; I795-W797 HydrophobicContact CG2-CZ2 4.24Å; I795-W797 PolarHBondContact O-N 3.44Å; I795-W797 VanDerWaalsContact O-N 3.1Å; I795-L798 HydrophobicContact CB-CD1 3.89Å; I795-L798 HydrophobicContact CB-CG 4.38Å; I795-L798 HydrophobicContact CD1-CD1 4.07Å; I795-L798 HydrophobicContact CG1-CD1 4.39Å; I795-L798 VanDerWaalsContact O-CB 3.24Å; I795-L798 WeakPolarHBondContact O-CB 3.36Å; I795-L798 PolarHBondContact O-N 2.88Å; I795-V811 HydrophobicContact CD1-CG2 4.35Å; I795-V811 HydrophobicContact CG2-CG1 4.36Å; I795-I816 HydrophobicContact CD1-CD1 4.24Å; I795-I816 HydrophobicContact CG1-CD1 4.36Å; I795-I816 HydrophobicContact CG1-CG2 4.36Å; I795-I816 HydrophobicContact CG2-CD1 3.59Å; I795-I816 HydrophobicContact CG2-CG1 4.17Å; I795-L819 HydrophobicContact CD1-CD1 3.91Å; I795-P820 HydrophobicContact CG1-CG 3.9Å; I795-I832 HydrophobicContact CD1-CD1 4.09Å
796	N	89.3	Confident	90.8	Very high	76 Å²	76	33.4 Å²	33.4	41%	0.406	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-57.4	-29.8	-174.8	-67.9	20.7	0	0	0	113.5	S794 L798 G799 P820	S794-N796 PolarHBondContact OG-N 3.02Å; S794-N796 PolarHBondContact OG-OD1 2.62Å; N796-L798 PolarHBondContact O-N 3.15Å; N796-L798 VanDerWaalsContact O-N 3.14Å; N796-G799 PolarHBondContact O-N 3.47Å; N796-P820 HydrophobicContact CB-CB 4.5Å
797	W	85	Confident	90.7	Very high	10 Å²	10	35 Å²	35	4%	0.038	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-60.7	-16.8	173.5	54.2	-95.4	0	0	0	113.9	P772 F773 L787 S794 I795 G799 D800 S801	P772-W797 HydrophobicContact CG-CD2 4.37Å; P772-W797 HydrophobicContact CG-CH2 3.87Å; P772-W797 HydrophobicContact CG-CZ2 3.43Å; P772-W797 VanDerWaalsContact CG-CZ2 3.43Å; P772-W797 HydrophobicContact CG-CZ3 4.48Å; F773-W797 HydrophobicContact CD2-CD2 4.25Å; F773-W797 AromaticContact CD2-CE3 3.57Å; F773-W797 HydrophobicContact CD2-CE3 3.57Å; F773-W797 HydrophobicContact CD2-CH2 4.1Å; F773-W797 AromaticContact CD2-CZ3 3.47Å; F773-W797 HydrophobicContact CD2-CZ3 3.47Å; F773-W797 VanDerWaalsContact CD2-CZ3 3.47Å; F773-W797 HydrophobicContact CE2-CE3 4.16Å; F773-W797 AromaticContact CE2-CH2 3.97Å; F773-W797 HydrophobicContact CE2-CH2 3.97Å; F773-W797 AromaticContact CE2-CZ3 3.55Å; F773-W797 HydrophobicContact CE2-CZ3 3.55Å; L787-W797 HydrophobicContact CD1-CH2 3.74Å; L787-W797 HydrophobicContact CD1-CZ2 4.27Å; S794-W797 PolarHBondContact O-NE1 2.91Å; I795-W797 HydrophobicContact CG2-CZ2 4.24Å; I795-W797 PolarHBondContact O-N 3.44Å; I795-W797 VanDerWaalsContact O-N 3.1Å; W797-G799 VanDerWaalsContact C-N 3.28Å; W797-D800 PolarHBondContact O-N 3.03Å; W797-S801 PolarHBondContact O-N 2.8Å; W797-S801 PolarHBondContact O-OG 2.92Å
798	L	88.6	Confident	90.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-68.1	-26.1	169.7	-75.1	176.8	0	0	0	112.6	L785 I795 N796 D800 S801 L803 L809 L822 F824	L785-L798 HydrophobicContact CD2-CD2 4.26Å; I795-L798 HydrophobicContact CB-CD1 3.89Å; I795-L798 HydrophobicContact CB-CG 4.38Å; I795-L798 HydrophobicContact CD1-CD1 4.07Å; I795-L798 HydrophobicContact CG1-CD1 4.39Å; I795-L798 VanDerWaalsContact O-CB 3.24Å; I795-L798 WeakPolarHBondContact O-CB 3.36Å; I795-L798 PolarHBondContact O-N 2.88Å; N796-L798 PolarHBondContact O-N 3.15Å; N796-L798 VanDerWaalsContact O-N 3.14Å; L798-D800 VanDerWaalsContact C-N 3.31Å; L798-S801 WeakPolarHBondContact O-CB 3.48Å; L798-S801 PolarHBondContact O-N 3.04Å; L798-L803 HydrophobicContact CD2-CD1 4.1Å; L798-L809 HydrophobicContact CD1-CD2 3.69Å; L798-L822 HydrophobicContact CB-CD2 3.77Å; L798-L822 HydrophobicContact CD1-CD2 3.94Å; L798-F824 HydrophobicContact CB-CE2 4.17Å; L798-F824 HydrophobicContact CB-CZ 3.8Å; L798-F824 HydrophobicContact CD1-CE2 4.27Å; L798-F824 HydrophobicContact CD2-CE2 4.12Å; L798-F824 HydrophobicContact CD2-CZ 3.8Å; L798-F824 HydrophobicContact CG-CE2 4.44Å; L798-F824 HydrophobicContact CG-CZ 4.27Å; L798-F824 WeakPolarHBondContact O-CZ 3.43Å
799	G	83.3	Confident	90.7	Very high	35 Å²	35	36.3 Å²	36.3	36%	0.361	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-36.9	172	0	0	0	0	0	112.1	N796 W797 S801	N796-G799 PolarHBondContact O-N 3.47Å; W797-G799 VanDerWaalsContact C-N 3.28Å; G799-S801 VanDerWaalsContact C-N 3.26Å; G799-S801 PolarHBondContact O-N 2.8Å
800	D	79.6	Confident	90.6	Very high	110 Å²	110	32.7 Å²	32.7	59%	0.588	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-0.2	176.1	-48.4	-54.3	0	0	0	113.1	G776 W797 L798	G776-D800 WeakPolarHBondContact CA-O 3.38Å; W797-D800 PolarHBondContact O-N 3.03Å; L798-D800 VanDerWaalsContact C-N 3.31Å
801	S	83.2	Confident	90.6	Very high	7 Å²	7	32.4 Å²	32.4	5%	0.049	18%	0.179	C	C	.	.			trans	-95.4	127	-170.7	-64.7	0	0	0	0	113.3	F777 W797 L798 G799 L803	F777-S801 PolarHBondContact N-OG 3.27Å; F777-S801 CarbonylContact O-C 3.31Å; F777-S801 WeakPolarHBondContact O-CA 3.48Å; W797-S801 PolarHBondContact O-N 2.8Å; W797-S801 PolarHBondContact O-OG 2.92Å; L798-S801 WeakPolarHBondContact O-CB 3.48Å; L798-S801 PolarHBondContact O-N 3.04Å; G799-S801 VanDerWaalsContact C-N 3.26Å; G799-S801 PolarHBondContact O-N 2.8Å; S801-L803 PolarHBondContact O-N 3.11Å; S801-L803 VanDerWaalsContact O-N 3.17Å
802	W	84.3	Confident	90.6	Very high	79 Å²	79	30.5 Å²	30.5	30%	0.299	17%	0.17	S	C	.	.	B	Isolated β-bridge	trans	-86.9	90	174.7	-166.1	35.7	0	0	0	111	F777 Y778 G779 V780 P804	F777-W802 PolarHBondContact O-N 3.22Å; Y778-W802 HydrophobicContact CD1-CB 3.94Å; Y778-W802 HydrophobicContact CD1-CE3 4.32Å; Y778-W802 HydrophobicContact CE1-CB 4.28Å; G779-W802 CarbonylContact C-O 3.56Å; G779-W802 PolarHBondContact N-O 3.12Å; G779-W802 VanDerWaalsContact N-O 3.16Å; V780-W802 HydrophobicContact CG2-CD2 4.41Å; V780-W802 HydrophobicContact CG2-CE3 3.7Å; V780-W802 HydrophobicContact CG2-CH2 4.19Å; V780-W802 HydrophobicContact CG2-CZ3 3.57Å; W802-P804 VanDerWaalsContact C-CD 3.42Å; W802-P804 WeakPolarHBondContact O-CD 3.34Å
803	L	89.8	Confident	90.7	Very high	2 Å²	2	34 Å²	34	1%	0.01	19%	0.186	C	C	.	.			trans	-123.3	60.5	-176.7	-73.9	175.8	0	0	0	111.8	F777 L782 L785 L798 S801 N805 L806 F824	F777-L803 HydrophobicContact CD1-CD1 4.25Å; F777-L803 HydrophobicContact CD1-CD2 3.63Å; F777-L803 HydrophobicContact CD1-CG 4.13Å; F777-L803 HydrophobicContact CE1-CD2 3.75Å; L782-L803 HydrophobicContact CB-CD2 3.85Å; L782-L803 HydrophobicContact CD2-CD2 3.82Å; L782-L803 HydrophobicContact CG-CD2 4.41Å; L785-L803 HydrophobicContact CD2-CD1 4.26Å; L798-L803 HydrophobicContact CD2-CD1 4.1Å; S801-L803 PolarHBondContact O-N 3.11Å; S801-L803 VanDerWaalsContact O-N 3.17Å; L803-N805 VanDerWaalsContact C-N 3.25Å; L803-N805 PolarHBondContact O-N 2.8Å; L803-L806 HydrophobicContact CB-CB 4.1Å; L803-L806 HydrophobicContact CB-CD2 4.47Å; L803-L806 HydrophobicContact CD1-CD2 4.12Å; L803-L806 PolarHBondContact O-N 2.86Å; L803-F824 HydrophobicContact CB-CD1 3.86Å; L803-F824 HydrophobicContact CB-CE1 3.65Å; L803-F824 HydrophobicContact CB-CZ 4.38Å; L803-F824 HydrophobicContact CD1-CE1 4.06Å; L803-F824 HydrophobicContact CD1-CZ 3.97Å; L803-F824 HydrophobicContact CG-CE1 4.35Å
804	P	89.1	Confident	90.8	Very high	30 Å²	30	30.8 Å²	30.8	20%	0.195	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-19.7	-170	30.3	-36.4	0	0	0	114	V780 W802	V780-P804 HydrophobicContact CG1-CG 4.41Å; V780-P804 WeakPolarHBondContact O-CG 3.17Å; W802-P804 VanDerWaalsContact C-CD 3.42Å; W802-P804 WeakPolarHBondContact O-CD 3.34Å
805	N	92.9	Very high	91	Very high	52 Å²	52	35.3 Å²	35.3	28%	0.278	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	6.1	-179.3	-77.1	-64.3	0	0	0	114.4	V780 L782 Q783 L803 I807	V780-N805 PolarHBondContact O-ND2 3.24Å; L782-N805 CarbonylContact O-C 3.53Å; Q783-N805 WeakPolarHBondContact CA-O 3.45Å; L803-N805 VanDerWaalsContact C-N 3.25Å; L803-N805 PolarHBondContact O-N 2.8Å; N805-I807 PolarHBondContact O-N 3.17Å
806	L	94.5	Very high	91.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.			trans	-68.7	124.9	-175	-168.5	74	0	0	0	111.3	L782 L785 L803 L809 F824 L826 L827	L782-L806 HydrophobicContact CD2-CD1 4.3Å; L782-L806 HydrophobicContact CG-CD1 4.36Å; L782-L806 VanDerWaalsContact O-CA 3.27Å; L782-L806 WeakPolarHBondContact O-CA 3.28Å; L782-L806 PolarHBondContact O-N 3.21Å; L782-L806 VanDerWaalsContact O-N 3.08Å; L785-L806 HydrophobicContact CB-CD1 3.81Å; L803-L806 HydrophobicContact CB-CB 4.1Å; L803-L806 HydrophobicContact CB-CD2 4.47Å; L803-L806 HydrophobicContact CD1-CD2 4.12Å; L803-L806 PolarHBondContact O-N 2.86Å; L806-L809 HydrophobicContact CD2-CB 4.24Å; L806-L809 HydrophobicContact CD2-CD2 4.49Å; L806-F824 HydrophobicContact CD2-CD2 3.69Å; L806-F824 HydrophobicContact CD2-CE2 3.88Å; L806-F824 HydrophobicContact CD2-CG 4.06Å; L806-F824 HydrophobicContact CD2-CZ 4.41Å; L806-L826 CarbonylContact O-C 3.53Å; L806-L827 HydrophobicContact CB-CD1 4.48Å; L806-L827 HydrophobicContact CD2-CD1 3.9Å; L806-L827 HydrophobicContact CG-CD1 3.86Å; L806-L827 VanDerWaalsContact O-CA 3.28Å; L806-L827 WeakPolarHBondContact O-CA 3.19Å; L806-L827 PolarHBondContact O-N 3.04Å
807	I	94.9	Very high	91.3	Very high	47 Å²	47	35 Å²	35	24%	0.241	18%	0.178	C	C	.	.			trans	-111.8	-37.4	-176.3	-72.6	164.4	0	0	0	110.8	Q783 N805 L826 Q828 K829	Q783-I807 HydrophobicContact CB-CD1 4.34Å; Q783-I807 HydrophobicContact CG-CD1 4.19Å; Q783-I807 WeakPolarHBondContact O-CA 3.22Å; Q783-I807 PolarHBondContact O-N 3.08Å; N805-I807 PolarHBondContact O-N 3.17Å; I807-L826 HydrophobicContact CG1-CB 4.5Å; I807-Q828 HydrophobicContact CG2-CB 4.06Å; I807-Q828 HydrophobicContact CG2-CG 4.11Å; I807-Q828 PolarHBondContact O-N 3.16Å; I807-K829 PolarHBondContact O-N 2.91Å
808	Y	95.3	Very high	91.6	Very high	50 Å²	50	36.5 Å²	36.5	20%	0.196	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.8	-178.1	179.1	-81.1	0	0	0	110.8	Q783 E784 L785 I786 N810 K829 I831	Q783-Y808 PolarHBondContact O-N 3.24Å; E784-Y808 WeakPolarHBondContact CA-O 3.48Å; E784-Y808 HydrophobicContact CB-CD1 4.43Å; L785-Y808 PolarHBondContact N-O 2.92Å; I786-Y808 HydrophobicContact CD1-CD1 4.43Å; I786-Y808 HydrophobicContact CD1-CE1 3.87Å; I786-Y808 HydrophobicContact CG1-CD1 4.24Å; I786-Y808 HydrophobicContact CG1-CE1 3.88Å; Y808-N810 HydrophobicContact CD1-CB 4.49Å; Y808-N810 HydrophobicContact CE1-CB 3.52Å; Y808-K829 HydrophobicContact CD2-CB 4Å; Y808-K829 HydrophobicContact CD2-CD 3.92Å; Y808-K829 HydrophobicContact CD2-CG 3.94Å; Y808-K829 HydrophobicContact CE2-CD 3.87Å; Y808-K829 HydrophobicContact CE2-CG 4.11Å; Y808-I831 HydrophobicContact CE2-CD1 4.13Å; Y808-I831 WeakPolarHBondContact OH-CD1 3.42Å
809	L	95.5	Very high	91.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.2	172	179.1	55.9	0	0	0	109.9	L785 L798 L806 V811 L822 F824 L827 K829 L830 I831	L785-L809 HydrophobicContact CB-CD1 4.02Å; L785-L809 HydrophobicContact CD2-CD1 4.02Å; L785-L809 HydrophobicContact CG-CD1 4.02Å; L785-L809 WeakPolarHBondContact O-CA 3.22Å; L798-L809 HydrophobicContact CD1-CD2 3.69Å; L806-L809 HydrophobicContact CD2-CB 4.24Å; L806-L809 HydrophobicContact CD2-CD2 4.49Å; L809-V811 HydrophobicContact CD1-CG1 3.86Å; L809-V811 HydrophobicContact CG-CG1 4.25Å; L809-L822 HydrophobicContact CD2-CD1 4.28Å; L809-F824 HydrophobicContact CD2-CD2 4.5Å; L809-F824 HydrophobicContact CD2-CE2 4.11Å; L809-L827 HydrophobicContact CB-CD1 3.96Å; L809-K829 PolarHBondContact N-O 3.08Å; L809-L830 HydrophobicContact CB-CD1 4.07Å; L809-L830 HydrophobicContact CD2-CD1 3.86Å; L809-L830 HydrophobicContact CG-CD1 3.89Å; L809-L830 WeakPolarHBondContact O-CA 3.49Å; L809-I831 PolarHBondContact O-N 3.22Å
810	N	96.2	Very high	91.9	Very high	13 Å²	13	35.3 Å²	35.3	7%	0.07	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117.6	171.1	-177.8	14.1	0	0	0	110.3	L785 I786 L787 D788 Y808 S812 I831	L785-N810 PolarHBondContact O-N 3.04Å; I786-N810 HydrophobicContact CG2-CB 4.07Å; L787-N810 CarbonylContact C-O 3.13Å; L787-N810 WeakPolarHBondContact CA-O 3.44Å; L787-N810 PolarHBondContact N-O 2.94Å; D788-N810 WeakPolarHBondContact CB-ND2 3.46Å; D788-N810 PolarHBondContact OD1-ND2 3.42Å; D788-N810 VanDerWaalsContact OD1-ND2 3.16Å; Y808-N810 HydrophobicContact CD1-CB 4.49Å; Y808-N810 HydrophobicContact CE1-CB 3.52Å; N810-S812 VanDerWaalsContact OD1-CB 3.3Å; N810-S812 WeakPolarHBondContact OD1-CB 3.27Å; N810-S812 PolarHBondContact OD1-N 3.12Å; N810-S812 PolarHBondContact OD1-OG 3.27Å; N810-I831 HydrophobicContact CB-CB 4.27Å; N810-I831 HydrophobicContact CB-CD1 4.29Å; N810-I831 HydrophobicContact CB-CG1 4.47Å; N810-I831 WeakPolarHBondContact OD1-CB 3.27Å
811	V	95.9	Very high	92.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.			trans	-129.2	26.1	176	-67.5	0	0	0	0	110.4	L787 I795 L809 N814 I816 L830 I831 I832 N835	L787-V811 HydrophobicContact CB-CG1 4.15Å; L787-V811 HydrophobicContact CD1-CG1 4.3Å; I795-V811 HydrophobicContact CD1-CG2 4.35Å; I795-V811 HydrophobicContact CG2-CG1 4.36Å; L809-V811 HydrophobicContact CD1-CG1 3.86Å; L809-V811 HydrophobicContact CG-CG1 4.25Å; V811-N814 PolarHBondContact O-ND2 3.39Å; V811-I816 HydrophobicContact CB-CD1 3.87Å; V811-I816 HydrophobicContact CG2-CD1 3.94Å; V811-L830 HydrophobicContact CG2-CD1 4.49Å; V811-I831 WeakPolarHBondContact CG2-O 3.13Å; V811-I831 PolarHBondContact N-O 2.93Å; V811-I832 HydrophobicContact CG2-CB 3.96Å; V811-I832 HydrophobicContact CG2-CD1 4Å; V811-I832 HydrophobicContact CG2-CG1 3.84Å; V811-N835 PolarHBondContact O-ND2 3.49Å
812	S	93.9	Very high	92.4	Very high	9 Å²	9	33.5 Å²	33.5	6%	0.063	16%	0.161	C	C	.	.			trans	-69.2	167.1	178.7	62.3	0	0	0	0	112.7	D788 H789 N810 N814 I831 S833	D788-S812 WeakPolarHBondContact CA-O 3.41Å; D788-S812 VanDerWaalsContact CB-O 3.29Å; D788-S812 WeakPolarHBondContact CB-O 3.37Å; D788-S812 WeakPolarHBondContact CB-OG 3.11Å; H789-S812 PolarHBondContact N-O 3.45Å; H789-S812 VanDerWaalsContact N-O 3.15Å; N810-S812 VanDerWaalsContact OD1-CB 3.3Å; N810-S812 WeakPolarHBondContact OD1-CB 3.27Å; N810-S812 PolarHBondContact OD1-N 3.12Å; N810-S812 PolarHBondContact OD1-OG 3.27Å; S812-N814 VanDerWaalsContact C-N 3.29Å; S812-N814 PolarHBondContact O-N 2.9Å; S812-N814 PolarHBondContact O-ND2 3.49Å; S812-I831 PolarHBondContact N-O 3.37Å; S812-S833 CarbonylContact C-O 3.54Å; S812-S833 WeakPolarHBondContact CA-O 3.49Å; S812-S833 WeakPolarHBondContact CB-O 3.19Å
813	H	95.7	Very high	92.4	Very high	74 Å²	74	32.6 Å²	32.6	34%	0.343	17%	0.166	S	C	.	.	S	Bend	trans	53.4	45.3	178.3	-68.4	-113.6	0	0	0	113	H789 N790 S833 H834	H789-H813 VanDerWaalsContact CA-O 3.28Å; H789-H813 WeakPolarHBondContact CA-O 3.35Å; H789-H813 HydrophobicContact CB-CB 4.47Å; H789-H813 AromaticContact CD2-CG 3.89Å; H789-H813 AromaticContact CD2-ND1 3.77Å; H789-H813 AromaticContact CE1-CD2 3.8Å; H789-H813 AromaticContact CE1-CE1 3.98Å; H789-H813 AromaticContact CE1-CG 3.49Å; H789-H813 VanDerWaalsContact CE1-CG 3.49Å; H789-H813 AromaticContact CE1-ND1 3.61Å; H789-H813 PolarHBondContact N-O 3.41Å; H789-H813 AromaticContact NE2-CE1 3.62Å; H789-H813 AromaticContact NE2-CG 3.35Å; H789-H813 AromaticContact NE2-ND1 3.05Å; H789-H813 PolarHBondContact NE2-ND1 2.7Å; N790-H813 PolarHBondContact N-O 2.94Å; H813-S833 PolarHBondContact N-O 3.32Å; H813-H834 VanDerWaalsContact CA-O 3.22Å; H813-H834 WeakPolarHBondContact CA-O 3.39Å; H813-H834 HydrophobicContact CB-CB 4.47Å; H813-H834 AromaticContact CD2-CD2 3.98Å; H813-H834 AromaticContact CD2-CG 3.79Å; H813-H834 AromaticContact CE1-CG 3.77Å; H813-H834 AromaticContact CE1-ND1 3.67Å; H813-H834 PolarHBondContact N-O 3.05Å; H813-H834 AromaticContact NE2-CD2 3.48Å; H813-H834 PolarHBondContact NE2-CD2 3.28Å; H813-H834 AromaticContact NE2-CE1 3.94Å; H813-H834 AromaticContact NE2-CG 3.44Å; H813-H834 AromaticContact NE2-ND1 3.75Å; H813-H834 AromaticContact NE2-NE2 3.87Å
814	N	96.1	Very high	92.4	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.064	17%	0.165	C	C	.	.	S	Bend	trans	-125.5	-163.5	-179.4	-90.7	-87.2	0	0	0	109.5	L787 N790 N791 L792 V811 S812 I816 H834 N835	L787-N814 PolarHBondContact O-ND2 2.85Å; N790-N814 WeakPolarHBondContact CA-OD1 3.15Å; N790-N814 WeakPolarHBondContact CB-OD1 3.17Å; N790-N814 PolarHBondContact O-OD1 3.1Å; N790-N814 VanDerWaalsContact O-OD1 3.12Å; N791-N814 PolarHBondContact N-OD1 3.32Å; L792-N814 HydrophobicContact CB-CB 4.28Å; L792-N814 WeakPolarHBondContact CB-OD1 3.37Å; L792-N814 WeakPolarHBondContact CG-OD1 3.46Å; L792-N814 PolarHBondContact N-OD1 2.61Å; V811-N814 PolarHBondContact O-ND2 3.39Å; S812-N814 VanDerWaalsContact C-N 3.29Å; S812-N814 PolarHBondContact O-N 2.9Å; S812-N814 PolarHBondContact O-ND2 3.49Å; N814-I816 HydrophobicContact CB-CD1 4.25Å; N814-I816 HydrophobicContact CB-CG1 4.21Å; N814-H834 PolarHBondContact N-O 2.98Å; N814-N835 WeakPolarHBondContact CA-OD1 3.36Å; N814-N835 WeakPolarHBondContact CB-OD1 3.17Å; N814-N835 PolarHBondContact O-OD1 3.36Å
815	R	95.2	Very high	92.3	Very high	135 Å²	135	35 Å²	35	51%	0.509	18%	0.182	S	C	.	.			trans	-120.8	24.1	-176.8	-51.6	-175.4	-167.6	-150.9	3.8	112.5	N791 L792 T793 N835 L836	N791-R815 VanDerWaalsContact OD1-CZ 3.23Å; N791-R815 PolarHBondContact OD1-NE 3.22Å; N791-R815 PolarHBondContact OD1-NH2 3.38Å; L792-R815 CarbonylContact O-C 3.37Å; L792-R815 VanDerWaalsContact O-CA 3.27Å; L792-R815 WeakPolarHBondContact O-CA 3.2Å; L792-R815 WeakPolarHBondContact O-CB 3.26Å; L792-R815 PolarHBondContact O-N 3.26Å; T793-R815 HydrophobicContact CG2-CB 4.12Å; R815-N835 PolarHBondContact N-OD1 3.21Å; R815-L836 HydrophobicContact CB-CD1 4.03Å
816	I	94.9	Very high	92.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.			trans	-68.7	131	-172.3	-58.4	164.8	0	0	0	110.3	L792 I795 V811 N814 D818 I832 N835 L836 I837	L792-I816 HydrophobicContact CB-CG1 4.28Å; L792-I816 PolarHBondContact O-N 3.42Å; I795-I816 HydrophobicContact CD1-CD1 4.24Å; I795-I816 HydrophobicContact CG1-CD1 4.36Å; I795-I816 HydrophobicContact CG1-CG2 4.36Å; I795-I816 HydrophobicContact CG2-CD1 3.59Å; I795-I816 HydrophobicContact CG2-CG1 4.17Å; V811-I816 HydrophobicContact CB-CD1 3.87Å; V811-I816 HydrophobicContact CG2-CD1 3.94Å; N814-I816 HydrophobicContact CB-CD1 4.25Å; N814-I816 HydrophobicContact CB-CG1 4.21Å; I816-D818 VanDerWaalsContact CG2-O 3.23Å; I816-D818 WeakPolarHBondContact CG2-O 3.48Å; I816-I832 HydrophobicContact CD1-CD1 4.25Å; I816-I832 HydrophobicContact CD1-CG1 4.38Å; I816-I832 HydrophobicContact CG2-CD1 4.33Å; I816-N835 HydrophobicContact CB-CB 4.31Å; I816-N835 VanDerWaalsContact CB-OD1 3.3Å; I816-N835 WeakPolarHBondContact CB-OD1 3.37Å; I816-N835 WeakPolarHBondContact CG1-OD1 3.28Å; I816-N835 PolarHBondContact N-OD1 3.2Å; I816-L836 CarbonylContact O-C 3.5Å; I816-L836 VanDerWaalsContact O-C 3.23Å; I816-L836 VanDerWaalsContact O-CA 3.31Å; I816-L836 WeakPolarHBondContact O-CA 3.36Å; I816-L836 PolarHBondContact O-N 3.15Å; I816-I837 PolarHBondContact O-N 2.97Å; I816-I837 VanDerWaalsContact O-N 3.14Å
817	T	92.9	Very high	92	Very high	70 Å²	70	36.5 Å²	36.5	43%	0.429	19%	0.189	S	C	.	.			trans	-108.3	-28.7	179.1	56.1	0	0	0	0	114.5	L836	T817-L836 HydrophobicContact CG2-CB 3.93Å
818	D	91.6	Very high	91.7	Very high	41 Å²	41	40.1 Å²	40.1	22%	0.219	21%	0.205	C	C	.	.			trans	-124.3	141.8	178.6	-176.7	32.3	0	0	0	110.3	I816 P820 S842 K845	I816-D818 VanDerWaalsContact CG2-O 3.23Å; I816-D818 WeakPolarHBondContact CG2-O 3.48Å; D818-P820 WeakPolarHBondContact O-CD 3.04Å; D818-S842 WeakPolarHBondContact OD1-CB 3.42Å; D818-S842 PolarHBondContact OD1-OG 2.82Å; D818-K845 IonicContact OD1-NZ 2.97Å; D818-K845 PolarHBondContact OD1-NZ 3.48Å; D818-K845 IonicContact OD2-NZ 3.23Å; D818-K845 PolarHBondContact OD2-NZ 3.05Å
819	L	89.1	Confident	91.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.			trans	-103.1	102.3	174.8	-177.8	52.1	0	0	0	108.8	I795 L822 I832 I837 S842 L843 G846 T847	I795-L819 HydrophobicContact CD1-CD1 3.91Å; L819-L822 HydrophobicContact CD1-CD1 4.08Å; L819-L822 HydrophobicContact CD1-CG 4.4Å; L819-I832 HydrophobicContact CD1-CD1 3.83Å; L819-I837 HydrophobicContact CB-CD1 4.37Å; L819-S842 PolarHBondContact N-OG 3.16Å; L819-L843 HydrophobicContact CD2-CD2 3.9Å; L819-G846 WeakPolarHBondContact O-CA 3.49Å; L819-G846 PolarHBondContact O-N 3.3Å; L819-T847 HydrophobicContact CD2-CG2 3.9Å
820	P	88.8	Confident	91.1	Very high	11 Å²	11	41.1 Å²	41.1	7%	0.071	21%	0.21	C	C	.	.			trans	-69.2	165.7	177.9	33.3	-40.6	0	0	0	111.6	I795 N796 D818 L822 G846	I795-P820 HydrophobicContact CG1-CG 3.9Å; N796-P820 HydrophobicContact CB-CB 4.5Å; D818-P820 WeakPolarHBondContact O-CD 3.04Å; P820-L822 HydrophobicContact CG-CD2 4.17Å; P820-L822 PolarHBondContact O-N 3.45Å; P820-G846 VanDerWaalsContact C-CA 3.42Å; P820-G846 WeakPolarHBondContact O-CA 3.45Å
821	I	86.7	Confident	90.9	Very high	78 Å²	78	41.5 Å²	41.5	40%	0.4	21%	0.212	S	C	.	.			trans	-58.1	123.1	170	-71.5	164.2	0	0	0	109.3	P823 K845 F849	I821-P823 WeakPolarHBondContact O-CD 3.2Å; I821-K845 WeakPolarHBondContact CG1-O 3.22Å; I821-F849 HydrophobicContact CD1-CE2 4.06Å; I821-F849 HydrophobicContact CG1-CD2 4.27Å; I821-F849 HydrophobicContact CG1-CE2 4.21Å; I821-F849 HydrophobicContact CG2-CD2 3.59Å; I821-F849 HydrophobicContact CG2-CE2 3.96Å; I821-F849 HydrophobicContact CG2-CG 4.43Å
822	L	87.1	Confident	90.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.			trans	-103.9	106.6	178.6	-60.8	-174.2	0	0	0	110.6	L798 L809 L819 P820 F824 L830 G846 L850	L798-L822 HydrophobicContact CB-CD2 3.77Å; L798-L822 HydrophobicContact CD1-CD2 3.94Å; L809-L822 HydrophobicContact CD2-CD1 4.28Å; L819-L822 HydrophobicContact CD1-CD1 4.08Å; L819-L822 HydrophobicContact CD1-CG 4.4Å; P820-L822 HydrophobicContact CG-CD2 4.17Å; P820-L822 PolarHBondContact O-N 3.45Å; L822-F824 HydrophobicContact CB-CD2 3.85Å; L822-F824 HydrophobicContact CB-CE2 4.02Å; L822-F824 HydrophobicContact CD1-CE2 4.49Å; L822-F824 HydrophobicContact CD2-CE2 4.01Å; L822-F824 HydrophobicContact CG-CE2 4.4Å; L822-F824 PolarHBondContact O-N 2.85Å; L822-L830 HydrophobicContact CD1-CD1 4.44Å; L822-L830 HydrophobicContact CD1-CD2 3.8Å; L822-G846 PolarHBondContact N-O 3.35Å; L822-L850 HydrophobicContact CB-CD2 4.24Å
823	P	84.9	Confident	90.3	Very high	60 Å²	60	41.3 Å²	41.3	39%	0.39	21%	0.211	S	C	.	.			trans	-82.6	49.2	-173.5	35.4	-37.7	0	0	0	112.7	I821 P825	I821-P823 WeakPolarHBondContact O-CD 3.2Å; P823-P825 VanDerWaalsContact O-CD 3.24Å; P823-P825 WeakPolarHBondContact O-CD 3.42Å
824	F	89.5	Confident	90.1	Very high	1 Å²	1	40 Å²	40	0%	0.004	21%	0.205	C	C	.	.			trans	-110.6	90.2	-168.9	-54.9	-30.7	0	0	0	112.1	L798 L803 L806 L809 L822 L826 L827	L798-F824 HydrophobicContact CB-CE2 4.17Å; L798-F824 HydrophobicContact CB-CZ 3.8Å; L798-F824 HydrophobicContact CD1-CE2 4.27Å; L798-F824 HydrophobicContact CD2-CE2 4.12Å; L798-F824 HydrophobicContact CD2-CZ 3.8Å; L798-F824 HydrophobicContact CG-CE2 4.44Å; L798-F824 HydrophobicContact CG-CZ 4.27Å; L798-F824 WeakPolarHBondContact O-CZ 3.43Å; L803-F824 HydrophobicContact CB-CD1 3.86Å; L803-F824 HydrophobicContact CB-CE1 3.65Å; L803-F824 HydrophobicContact CB-CZ 4.38Å; L803-F824 HydrophobicContact CD1-CE1 4.06Å; L803-F824 HydrophobicContact CD1-CZ 3.97Å; L803-F824 HydrophobicContact CG-CE1 4.35Å; L806-F824 HydrophobicContact CD2-CD2 3.69Å; L806-F824 HydrophobicContact CD2-CE2 3.88Å; L806-F824 HydrophobicContact CD2-CG 4.06Å; L806-F824 HydrophobicContact CD2-CZ 4.41Å; L809-F824 HydrophobicContact CD2-CD2 4.5Å; L809-F824 HydrophobicContact CD2-CE2 4.11Å; L822-F824 HydrophobicContact CB-CD2 3.85Å; L822-F824 HydrophobicContact CB-CE2 4.02Å; L822-F824 HydrophobicContact CD1-CE2 4.49Å; L822-F824 HydrophobicContact CD2-CE2 4.01Å; L822-F824 HydrophobicContact CG-CE2 4.4Å; L822-F824 PolarHBondContact O-N 2.85Å; F824-L826 PolarHBondContact O-N 3.43Å; F824-L826 VanDerWaalsContact O-N 3.15Å; F824-L827 HydrophobicContact CB-CB 4.01Å; F824-L827 PolarHBondContact O-N 2.88Å
825	P	86.4	Confident	89.9	Confident	83 Å²	83	39.7 Å²	39.7	54%	0.539	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-9.5	-166.9	30.8	-38.2	0	0	0	114.8	P823 P851	P823-P825 VanDerWaalsContact O-CD 3.24Å; P823-P825 WeakPolarHBondContact O-CD 3.42Å; P825-P851 WeakPolarHBondContact O-CG 3.38Å
826	L	91.3	Very high	89.8	Confident	83 Å²	83	36.6 Å²	36.6	44%	0.435	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	7.6	178.5	-62.8	-172.6	0	0	0	113.6	L806 I807 F824 Q828	L806-L826 CarbonylContact O-C 3.53Å; I807-L826 HydrophobicContact CG1-CB 4.5Å; F824-L826 PolarHBondContact O-N 3.43Å; F824-L826 VanDerWaalsContact O-N 3.15Å; L826-Q828 PolarHBondContact O-N 2.66Å
827	L	90.2	Very high	89.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.			trans	-65.1	122	-177.5	-159.3	75.8	0	0	0	111.3	L806 L809 F824 L830 L850 P851 C854	L806-L827 HydrophobicContact CB-CD1 4.48Å; L806-L827 HydrophobicContact CD2-CD1 3.9Å; L806-L827 HydrophobicContact CG-CD1 3.86Å; L806-L827 VanDerWaalsContact O-CA 3.28Å; L806-L827 WeakPolarHBondContact O-CA 3.19Å; L806-L827 PolarHBondContact O-N 3.04Å; L809-L827 HydrophobicContact CB-CD1 3.96Å; F824-L827 HydrophobicContact CB-CB 4.01Å; F824-L827 PolarHBondContact O-N 2.88Å; L827-L830 HydrophobicContact CD2-CB 3.99Å; L827-L850 HydrophobicContact CB-CD2 4.49Å; L827-L850 HydrophobicContact CD2-CD2 3.67Å; L827-P851 WeakPolarHBondContact O-CD 3.04Å; L827-P851 WeakPolarHBondContact O-CG 3.36Å; L827-C854 WeakPolarHBondContact O-CB 3.35Å
828	Q	87.8	Confident	89.2	Confident	122 Å²	122	37.4 Å²	37.4	57%	0.57	20%	0.198	S	C	*	.			trans	-107.4	-21.1	178.7	-64.5	172.6	45	0	0	112.2	I807 L826 M855	I807-Q828 HydrophobicContact CG2-CB 4.06Å; I807-Q828 HydrophobicContact CG2-CG 4.11Å; I807-Q828 PolarHBondContact O-N 3.16Å; L826-Q828 PolarHBondContact O-N 2.66Å; Q828-M855 PolarHBondContact O-N 3.23Å
829	K	88.8	Confident	88.9	Confident	72 Å²	72	40.9 Å²	40.9	31%	0.313	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	123.3	-179.1	-174.7	155.9	175.5	163.6	0	112	I807 Y808 L809 I831 M855	I807-K829 PolarHBondContact O-N 2.91Å; Y808-K829 HydrophobicContact CD2-CB 4Å; Y808-K829 HydrophobicContact CD2-CD 3.92Å; Y808-K829 HydrophobicContact CD2-CG 3.94Å; Y808-K829 HydrophobicContact CE2-CD 3.87Å; Y808-K829 HydrophobicContact CE2-CG 4.11Å; L809-K829 PolarHBondContact N-O 3.08Å; K829-I831 HydrophobicContact CG-CG1 4.2Å; K829-M855 WeakPolarHBondContact CA-O 3.29Å; K829-M855 HydrophobicContact CD-CE 4.13Å; K829-M855 HydrophobicContact CD-SD 3.78Å; K829-M855 HydrophobicContact CG-CB 4.46Å; K829-M855 HydrophobicContact CG-CE 4.19Å; K829-M855 HydrophobicContact CG-SD 4.18Å
830	L	90.5	Very high	88.5	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.2	172.4	177.3	53.5	0	0	0	109.4	L809 V811 L822 L827 L850 M855 L856 D857	L809-L830 HydrophobicContact CB-CD1 4.07Å; L809-L830 HydrophobicContact CD2-CD1 3.86Å; L809-L830 HydrophobicContact CG-CD1 3.89Å; L809-L830 WeakPolarHBondContact O-CA 3.49Å; V811-L830 HydrophobicContact CG2-CD1 4.49Å; L822-L830 HydrophobicContact CD1-CD1 4.44Å; L822-L830 HydrophobicContact CD1-CD2 3.8Å; L827-L830 HydrophobicContact CD2-CB 3.99Å; L830-L850 HydrophobicContact CD2-CD1 4Å; L830-M855 PolarHBondContact N-O 3.4Å; L830-L856 HydrophobicContact CB-CD1 4.07Å; L830-L856 HydrophobicContact CD2-CD1 3.84Å; L830-L856 HydrophobicContact CG-CD1 3.89Å; L830-D857 PolarHBondContact O-N 2.86Å
831	I	90.9	Very high	88.3	Confident	21 Å²	21	49.4 Å²	49.4	11%	0.108	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.3	171.6	-41.8	-177.7	0	0	0	108.3	Y808 L809 N810 V811 S812 K829 S833 D857	Y808-I831 HydrophobicContact CE2-CD1 4.13Å; Y808-I831 WeakPolarHBondContact OH-CD1 3.42Å; L809-I831 PolarHBondContact O-N 3.22Å; N810-I831 HydrophobicContact CB-CB 4.27Å; N810-I831 HydrophobicContact CB-CD1 4.29Å; N810-I831 HydrophobicContact CB-CG1 4.47Å; N810-I831 WeakPolarHBondContact OD1-CB 3.27Å; V811-I831 WeakPolarHBondContact CG2-O 3.13Å; V811-I831 PolarHBondContact N-O 2.93Å; S812-I831 PolarHBondContact N-O 3.37Å; K829-I831 HydrophobicContact CG-CG1 4.2Å; I831-S833 WeakPolarHBondContact CG2-OG 3.05Å; I831-D857 HydrophobicContact CG2-CB 4.06Å
832	I	90.8	Very high	88.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.			trans	-130.9	18.6	176	-166.6	158.8	0	0	0	111.1	I795 V811 I816 L819 N835 I837 L856 D857 I858 N861	I795-I832 HydrophobicContact CD1-CD1 4.09Å; V811-I832 HydrophobicContact CG2-CB 3.96Å; V811-I832 HydrophobicContact CG2-CD1 4Å; V811-I832 HydrophobicContact CG2-CG1 3.84Å; I816-I832 HydrophobicContact CD1-CD1 4.25Å; I816-I832 HydrophobicContact CD1-CG1 4.38Å; I816-I832 HydrophobicContact CG2-CD1 4.33Å; L819-I832 HydrophobicContact CD1-CD1 3.83Å; I832-N835 PolarHBondContact O-ND2 2.91Å; I832-I837 HydrophobicContact CD1-CD1 3.79Å; I832-I837 HydrophobicContact CG1-CD1 4.05Å; I832-L856 HydrophobicContact CG2-CD1 4.43Å; I832-D857 CarbonylContact C-O 3.5Å; I832-D857 PolarHBondContact N-O 3.21Å; I832-I858 HydrophobicContact CG2-CG2 3.56Å; I832-N861 PolarHBondContact O-ND2 2.85Å
833	S	87.7	Confident	87.9	Confident	5 Å²	5	46.1 Å²	46.1	4%	0.035	24%	0.236	C	C	.	.			trans	-64.3	158.1	176.8	47.8	0	0	0	0	112.5	S812 H813 I831 N835 D857 R859	S812-S833 CarbonylContact C-O 3.54Å; S812-S833 WeakPolarHBondContact CA-O 3.49Å; S812-S833 WeakPolarHBondContact CB-O 3.19Å; H813-S833 PolarHBondContact N-O 3.32Å; I831-S833 WeakPolarHBondContact CG2-OG 3.05Å; S833-N835 PolarHBondContact O-ND2 3.27Å; S833-D857 WeakPolarHBondContact CB-OD2 3.49Å; S833-D857 PolarHBondContact N-O 3.49Å; S833-D857 VanDerWaalsContact N-O 3.1Å; S833-D857 PolarHBondContact OG-OD2 2.94Å; S833-R859 CarbonylContact C-O 3.51Å; S833-R859 WeakPolarHBondContact CA-O 3.3Å; S833-R859 WeakPolarHBondContact CB-O 3.49Å
834	H	90.8	Very high	87.6	Confident	47 Å²	47	45 Å²	45	22%	0.218	23%	0.226	C	C	.	.	S	Bend	trans	55.4	54.5	-175.2	-59.1	-111.5	0	0	0	112.7	H813 N814 R859 C860 C910	H813-H834 VanDerWaalsContact CA-O 3.22Å; H813-H834 WeakPolarHBondContact CA-O 3.39Å; H813-H834 HydrophobicContact CB-CB 4.47Å; H813-H834 AromaticContact CD2-CD2 3.98Å; H813-H834 AromaticContact CD2-CG 3.79Å; H813-H834 AromaticContact CE1-CG 3.77Å; H813-H834 AromaticContact CE1-ND1 3.67Å; H813-H834 PolarHBondContact N-O 3.05Å; H813-H834 AromaticContact NE2-CD2 3.48Å; H813-H834 PolarHBondContact NE2-CD2 3.28Å; H813-H834 AromaticContact NE2-CE1 3.94Å; H813-H834 AromaticContact NE2-CG 3.44Å; H813-H834 AromaticContact NE2-ND1 3.75Å; H813-H834 AromaticContact NE2-NE2 3.87Å; N814-H834 PolarHBondContact N-O 2.98Å; H834-R859 PolarHBondContact N-O 2.72Å; H834-C860 WeakPolarHBondContact CA-O 3.45Å; H834-C860 HydrophobicContact CB-CB 4.48Å; H834-C910 PolarHBondContact CE1-SG 3.14Å; H834-C910 PolarHBondContact ND1-SG 3.39Å; H834-C910 VanDerWaalsContact ND1-SG 3.43Å
835	N	92.2	Very high	87.2	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.027	25%	0.246	C	C	.	.	S	Bend	trans	-128.1	-170.5	174.4	-88.3	-76.1	0	0	0	110.1	V811 N814 R815 I816 I832 S833 N861 P862	V811-N835 PolarHBondContact O-ND2 3.49Å; N814-N835 WeakPolarHBondContact CA-OD1 3.36Å; N814-N835 WeakPolarHBondContact CB-OD1 3.17Å; N814-N835 PolarHBondContact O-OD1 3.36Å; R815-N835 PolarHBondContact N-OD1 3.21Å; I816-N835 HydrophobicContact CB-CB 4.31Å; I816-N835 VanDerWaalsContact CB-OD1 3.3Å; I816-N835 WeakPolarHBondContact CB-OD1 3.37Å; I816-N835 WeakPolarHBondContact CG1-OD1 3.28Å; I816-N835 PolarHBondContact N-OD1 3.2Å; I832-N835 PolarHBondContact O-ND2 2.91Å; S833-N835 PolarHBondContact O-ND2 3.27Å; N835-N861 WeakPolarHBondContact CA-OD1 3.31Å; N835-N861 WeakPolarHBondContact CB-OD1 3.35Å; N835-N861 PolarHBondContact O-OD1 2.87Å; N835-P862 WeakPolarHBondContact O-CD 3.4Å
836	L	93.4	Very high	86.7	Confident	70 Å²	70	45.6 Å²	45.6	37%	0.366	22%	0.22	S	C	.	.			trans	-112.5	19.4	-172.6	-61.1	178.8	0	0	0	113.4	R815 I816 T817 N838 N861	R815-L836 HydrophobicContact CB-CD1 4.03Å; I816-L836 CarbonylContact O-C 3.5Å; I816-L836 VanDerWaalsContact O-C 3.23Å; I816-L836 VanDerWaalsContact O-CA 3.31Å; I816-L836 WeakPolarHBondContact O-CA 3.36Å; I816-L836 PolarHBondContact O-N 3.15Å; T817-L836 HydrophobicContact CG2-CB 3.93Å; L836-N838 PolarHBondContact O-N 3.42Å; L836-N838 VanDerWaalsContact O-N 3.12Å; L836-N861 PolarHBondContact N-OD1 3.26Å
837	I	88.9	Confident	85.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.202	C	C	.	.			trans	-63.1	115.8	-180	-57.1	173.7	0	0	0	109.5	I816 L819 I832 L843 N861 P862 C863	I816-I837 PolarHBondContact O-N 2.97Å; I816-I837 VanDerWaalsContact O-N 3.14Å; L819-I837 HydrophobicContact CB-CD1 4.37Å; I832-I837 HydrophobicContact CD1-CD1 3.79Å; I832-I837 HydrophobicContact CG1-CD1 4.05Å; I837-L843 HydrophobicContact CD1-CD2 3.89Å; I837-L843 HydrophobicContact CG2-CD2 4.12Å; I837-L843 HydrophobicContact CG2-CG 4.33Å; I837-N861 HydrophobicContact CB-CB 4.21Å; I837-N861 WeakPolarHBondContact CB-OD1 3.23Å; I837-N861 WeakPolarHBondContact CG1-OD1 3.31Å; I837-N861 PolarHBondContact N-OD1 2.89Å; I837-N861 VanDerWaalsContact N-OD1 3.1Å; I837-P862 VanDerWaalsContact O-CD 3.22Å; I837-P862 WeakPolarHBondContact O-CD 3.49Å; I837-C863 HydrophobicContact CG2-CB 4.41Å; I837-C863 WeakPolarHBondContact O-CB 3.49Å; I837-C863 PolarHBondContact O-N 3.45Å; I837-C863 PolarHBondContact O-SG 3.43Å
838	N	86.2	Confident	85.2	Confident	86 Å²	86	49.5 Å²	49.5	46%	0.46	23%	0.234	S	C	.	.			trans	-98.7	-36.3	-174.6	64.1	-45.4	0	0	0	113	L836 C863	L836-N838 PolarHBondContact O-N 3.42Å; L836-N838 VanDerWaalsContact O-N 3.12Å; N838-C863 WeakPolarHBondContact O-CB 3.31Å
839	E	84.7	Confident	84.6	Confident	114 Å²	114	49.1 Å²	49.1	53%	0.533	23%	0.231	S	C	.	.			trans	-100.4	136.7	-175.7	-77.3	151	-134.8	0	0	111.3	E841 S842	E839-E841 VanDerWaalsContact C-N 3.35Å; E839-S842 WeakPolarHBondContact O-CB 3.3Å
840	I	81.7	Confident	84.2	Confident	45 Å²	45	46.7 Å²	46.7	23%	0.231	22%	0.221	C	C	.	.	H	α-helix	trans	-74.9	-27	178.7	-160.4	178.3	0	0	0	112.2	S842 L843 F844 F869 T872 I873	I840-S842 VanDerWaalsContact C-N 3.31Å; I840-S842 PolarHBondContact O-N 3.06Å; I840-L843 WeakPolarHBondContact O-CB 3.35Å; I840-L843 PolarHBondContact O-N 2.99Å; I840-F844 HydrophobicContact CB-CE2 4.37Å; I840-F844 HydrophobicContact CB-CZ 4.46Å; I840-F844 HydrophobicContact CD1-CE1 4.39Å; I840-F844 HydrophobicContact CD1-CE2 4.23Å; I840-F844 HydrophobicContact CD1-CZ 3.61Å; I840-F844 HydrophobicContact CG1-CE1 4.16Å; I840-F844 HydrophobicContact CG1-CE2 3.93Å; I840-F844 HydrophobicContact CG1-CZ 3.55Å; I840-F844 HydrophobicContact CG2-CE2 3.9Å; I840-F844 HydrophobicContact CG2-CZ 4.34Å; I840-F844 WeakPolarHBondContact O-CD2 3.07Å; I840-F844 PolarHBondContact O-N 3.36Å; I840-F869 HydrophobicContact CD1-CD2 3.7Å; I840-F869 HydrophobicContact CD1-CE2 4.32Å; I840-F869 HydrophobicContact CG1-CD2 4.14Å; I840-F869 HydrophobicContact CG1-CE2 4.39Å; I840-T872 HydrophobicContact CD1-CG2 4.42Å; I840-I873 HydrophobicContact CD1-CG1 4.07Å
841	E	83.8	Confident	83.4	Confident	146 Å²	146	48.2 Å²	48.2	68%	0.682	23%	0.231	S	C	*	.	H	α-helix	trans	-63.1	-35.6	177	-171.5	177.6	159.9	0	0	112.5	E839 L843 F844 K845	E839-E841 VanDerWaalsContact C-N 3.35Å; E841-L843 VanDerWaalsContact C-N 3.28Å; E841-L843 PolarHBondContact O-N 3.19Å; E841-F844 PolarHBondContact O-N 3.39Å; E841-K845 VanDerWaalsContact O-CB 3.3Å; E841-K845 WeakPolarHBondContact O-CB 3.37Å; E841-K845 PolarHBondContact O-N 2.92Å
842	S	83.7	Confident	82.5	Confident	8 Å²	8	57.1 Å²	57.1	6%	0.056	26%	0.263	C	S	.	.	H	α-helix	trans	-54.6	-43.7	170.3	144.7	0	0	0	0	111.4	D818 L819 E839 I840 G846	D818-S842 WeakPolarHBondContact OD1-CB 3.42Å; D818-S842 PolarHBondContact OD1-OG 2.82Å; L819-S842 PolarHBondContact N-OG 3.16Å; E839-S842 WeakPolarHBondContact O-CB 3.3Å; I840-S842 VanDerWaalsContact C-N 3.31Å; I840-S842 PolarHBondContact O-N 3.06Å; S842-G846 PolarHBondContact O-N 3.26Å; S842-G846 VanDerWaalsContact O-N 3.16Å
843	L	81.4	Confident	81.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-49.6	175.3	-60.5	-179.3	0	0	0	111.5	L819 I837 I840 E841 K845 G846 T847 I858 F869	L819-L843 HydrophobicContact CD2-CD2 3.9Å; I837-L843 HydrophobicContact CD1-CD2 3.89Å; I837-L843 HydrophobicContact CG2-CD2 4.12Å; I837-L843 HydrophobicContact CG2-CG 4.33Å; I840-L843 WeakPolarHBondContact O-CB 3.35Å; I840-L843 PolarHBondContact O-N 2.99Å; E841-L843 VanDerWaalsContact C-N 3.28Å; E841-L843 PolarHBondContact O-N 3.19Å; L843-K845 PolarHBondContact O-N 3.02Å; L843-G846 PolarHBondContact O-N 2.59Å; L843-T847 VanDerWaalsContact O-CB 3.31Å; L843-T847 WeakPolarHBondContact O-CB 3.01Å; L843-T847 WeakPolarHBondContact O-CG2 3.07Å; L843-T847 PolarHBondContact O-N 3.09Å; L843-T847 VanDerWaalsContact O-N 3.08Å; L843-T847 PolarHBondContact O-OG1 2.77Å; L843-I858 HydrophobicContact CD1-CD1 3.98Å; L843-I858 HydrophobicContact CD1-CG2 4.46Å; L843-I858 HydrophobicContact CD2-CG2 4.05Å; L843-F869 HydrophobicContact CD1-CE2 4.2Å
844	F	79.5	Confident	80.9	Confident	37 Å²	37	63.2 Å²	63.2	16%	0.162	30%	0.296	C	S	.	.	H	α-helix	trans	-59.5	-45.7	-179.7	-55	-39.8	0	0	0	112.5	I840 E841 T847 K848 T872 E876 F877	I840-F844 HydrophobicContact CB-CE2 4.37Å; I840-F844 HydrophobicContact CB-CZ 4.46Å; I840-F844 HydrophobicContact CD1-CE1 4.39Å; I840-F844 HydrophobicContact CD1-CE2 4.23Å; I840-F844 HydrophobicContact CD1-CZ 3.61Å; I840-F844 HydrophobicContact CG1-CE1 4.16Å; I840-F844 HydrophobicContact CG1-CE2 3.93Å; I840-F844 HydrophobicContact CG1-CZ 3.55Å; I840-F844 HydrophobicContact CG2-CE2 3.9Å; I840-F844 HydrophobicContact CG2-CZ 4.34Å; I840-F844 WeakPolarHBondContact O-CD2 3.07Å; I840-F844 PolarHBondContact O-N 3.36Å; E841-F844 PolarHBondContact O-N 3.39Å; F844-T847 PolarHBondContact O-OG1 3.1Å; F844-K848 PolarHBondContact O-N 3.33Å; F844-T872 HydrophobicContact CE2-CG2 3.84Å; F844-T872 HydrophobicContact CZ-CG2 3.57Å; F844-E876 HydrophobicContact CD1-CB 3.63Å; F844-E876 HydrophobicContact CD1-CG 3.82Å; F844-E876 HydrophobicContact CD2-CG 4.3Å; F844-E876 HydrophobicContact CE1-CB 3.47Å; F844-E876 VanDerWaalsContact CE1-CB 3.47Å; F844-E876 HydrophobicContact CE1-CG 3.6Å; F844-E876 HydrophobicContact CE2-CG 4.08Å; F844-E876 HydrophobicContact CG-CB 4.42Å; F844-E876 HydrophobicContact CG-CG 4.2Å; F844-E876 HydrophobicContact CZ-CB 4.13Å; F844-E876 HydrophobicContact CZ-CG 3.74Å; F844-F877 HydrophobicContact CD1-CD2 4.31Å; F844-F877 AromaticContact CD1-CE2 3.44Å; F844-F877 HydrophobicContact CD1-CE2 3.44Å; F844-F877 VanDerWaalsContact CD1-CE2 3.44Å; F844-F877 AromaticContact CD1-CZ 3.59Å; F844-F877 HydrophobicContact CD1-CZ 3.59Å; F844-F877 HydrophobicContact CE1-CD2 4.11Å; F844-F877 AromaticContact CE1-CE2 3.52Å; F844-F877 HydrophobicContact CE1-CE2 3.52Å; F844-F877 HydrophobicContact CE1-CZ 4.16Å
845	K	80.4	Confident	80.5	Confident	97 Å²	97	62.4 Å²	62.4	42%	0.422	29%	0.292	S	S	.	.	H	α-helix	trans	-54.9	-54.5	177	171.1	-171.6	166	-159.7	0	112.2	D818 I821 E841 L843 K848	D818-K845 IonicContact OD1-NZ 2.97Å; D818-K845 PolarHBondContact OD1-NZ 3.48Å; D818-K845 IonicContact OD2-NZ 3.23Å; D818-K845 PolarHBondContact OD2-NZ 3.05Å; I821-K845 WeakPolarHBondContact CG1-O 3.22Å; E841-K845 VanDerWaalsContact O-CB 3.3Å; E841-K845 WeakPolarHBondContact O-CB 3.37Å; E841-K845 PolarHBondContact O-N 2.92Å; L843-K845 PolarHBondContact O-N 3.02Å; K845-K848 WeakPolarHBondContact O-CB 3.3Å
846	G	75.4	Confident	80.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-77.8	-32.4	-172.2	0	0	0	0	0	114.7	L819 P820 L822 S842 L843 K848	L819-G846 WeakPolarHBondContact O-CA 3.49Å; L819-G846 PolarHBondContact O-N 3.3Å; P820-G846 VanDerWaalsContact C-CA 3.42Å; P820-G846 WeakPolarHBondContact O-CA 3.45Å; L822-G846 PolarHBondContact N-O 3.35Å; S842-G846 PolarHBondContact O-N 3.26Å; S842-G846 VanDerWaalsContact O-N 3.16Å; L843-G846 PolarHBondContact O-N 2.59Å; G846-K848 VanDerWaalsContact C-N 3.34Å
847	T	74.5	Confident	79.5	Confident	9 Å²	9	59.4 Å²	59.4	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-79.1	-13.1	179.6	57.2	0	0	0	0	114.2	L819 L843 F844 F849 L850 L856 F877	L819-T847 HydrophobicContact CD2-CG2 3.9Å; L843-T847 VanDerWaalsContact O-CB 3.31Å; L843-T847 WeakPolarHBondContact O-CB 3.01Å; L843-T847 WeakPolarHBondContact O-CG2 3.07Å; L843-T847 PolarHBondContact O-N 3.09Å; L843-T847 VanDerWaalsContact O-N 3.08Å; L843-T847 PolarHBondContact O-OG1 2.77Å; F844-T847 PolarHBondContact O-OG1 3.1Å; T847-F849 PolarHBondContact O-N 2.74Å; T847-L850 HydrophobicContact CG2-CD1 3.86Å; T847-L850 WeakPolarHBondContact O-CB 3.08Å; T847-L850 PolarHBondContact O-N 2.8Å; T847-L856 HydrophobicContact CG2-CD2 3.99Å; T847-F877 HydrophobicContact CG2-CE1 4.31Å; T847-F877 HydrophobicContact CG2-CZ 4.14Å; T847-F877 WeakPolarHBondContact OG1-CE1 3.04Å; T847-F877 WeakPolarHBondContact OG1-CZ 3.36Å
848	K	76	Confident	79.2	Confident	156 Å²	156	59.8 Å²	59.8	68%	0.678	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	-29.8	-174.9	-179.4	175.1	176.2	179.8	0	115.5	F844 K845 G846	F844-K848 PolarHBondContact O-N 3.33Å; K845-K848 WeakPolarHBondContact O-CB 3.3Å; G846-K848 VanDerWaalsContact C-N 3.34Å
849	F	76	Confident	79	Confident	114 Å²	114	61.6 Å²	61.6	50%	0.5	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	4.9	-176.8	-64	-86.5	0	0	0	114.1	I821 T847	I821-F849 HydrophobicContact CD1-CE2 4.06Å; I821-F849 HydrophobicContact CG1-CD2 4.27Å; I821-F849 HydrophobicContact CG1-CE2 4.21Å; I821-F849 HydrophobicContact CG2-CD2 3.59Å; I821-F849 HydrophobicContact CG2-CE2 3.96Å; I821-F849 HydrophobicContact CG2-CG 4.43Å; T847-F849 PolarHBondContact O-N 2.74Å
850	L	79.1	Confident	79	Confident	21 Å²	21	58.3 Å²	58.3	11%	0.11	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-68.4	147.2	179.1	-68.2	-179.6	0	0	0	112	L822 L827 L830 T847 C854	L822-L850 HydrophobicContact CB-CD2 4.24Å; L827-L850 HydrophobicContact CB-CD2 4.49Å; L827-L850 HydrophobicContact CD2-CD2 3.67Å; L830-L850 HydrophobicContact CD2-CD1 4Å; T847-L850 HydrophobicContact CG2-CD1 3.86Å; T847-L850 WeakPolarHBondContact O-CB 3.08Å; T847-L850 PolarHBondContact O-N 2.8Å; L850-C854 HydrophobicContact CB-CB 4.41Å
851	P	75.6	Confident	79.1	Confident	32 Å²	32	56.2 Å²	56.2	21%	0.208	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-59.7	146	175.9	-26.8	38	0	0	0	113	P825 L827 N853 C854	P825-P851 WeakPolarHBondContact O-CG 3.38Å; L827-P851 WeakPolarHBondContact O-CD 3.04Å; L827-P851 WeakPolarHBondContact O-CG 3.36Å; P851-N853 PolarHBondContact O-N 2.89Å; P851-C854 WeakPolarHBondContact O-CB 3.22Å; P851-C854 PolarHBondContact O-N 3.46Å
852	R	70.2	Confident	79.2	Confident	207 Å²	207	51 Å²	51	78%	0.781	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	139	170.5	-64.7	-175.9	-178.8	-171.2	-0.8	109.5	C854	R852-C854 VanDerWaalsContact C-N 3.28Å
853	N	69.1	Low	79.1	Confident	133 Å²	133	51 Å²	51	71%	0.711	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	12.1	-171.3	-40.1	-39.2	0	0	0	115.9	P851 M855	P851-N853 PolarHBondContact O-N 2.89Å; N853-M855 PolarHBondContact O-N 2.92Å
854	C	76.2	Confident	78.9	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.007	25%	0.248	C	C	.	.			trans	-61.1	119.8	167.5	178.8	0	0	0	0	109.8	L827 L850 P851 R852 L856 T880	L827-C854 WeakPolarHBondContact O-CB 3.35Å; L850-C854 HydrophobicContact CB-CB 4.41Å; P851-C854 WeakPolarHBondContact O-CB 3.22Å; P851-C854 PolarHBondContact O-N 3.46Å; R852-C854 VanDerWaalsContact C-N 3.28Å; C854-L856 PolarHBondContact O-N 3.07Å; C854-T880 HydrophobicContact CB-CG2 4.48Å
855	M	81.9	Confident	78.5	Confident	29 Å²	29	55.2 Å²	55.2	14%	0.143	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	120.1	177.7	-168.2	-146.8	106.6	0	0	109.8	Q828 K829 L830 N853 D857	Q828-M855 PolarHBondContact O-N 3.23Å; K829-M855 WeakPolarHBondContact CA-O 3.29Å; K829-M855 HydrophobicContact CD-CE 4.13Å; K829-M855 HydrophobicContact CD-SD 3.78Å; K829-M855 HydrophobicContact CG-CB 4.46Å; K829-M855 HydrophobicContact CG-CE 4.19Å; K829-M855 HydrophobicContact CG-SD 4.18Å; L830-M855 PolarHBondContact N-O 3.4Å; N853-M855 PolarHBondContact O-N 2.92Å; M855-D857 HydrophobicContact CE-CB 4.04Å
856	L	83.8	Confident	77.9	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.4	-177.4	-179.4	60.4	0	0	0	111.1	L830 I832 T847 C854 I858	L830-L856 HydrophobicContact CB-CD1 4.07Å; L830-L856 HydrophobicContact CD2-CD1 3.84Å; L830-L856 HydrophobicContact CG-CD1 3.89Å; I832-L856 HydrophobicContact CG2-CD1 4.43Å; T847-L856 HydrophobicContact CG2-CD2 3.99Å; C854-L856 PolarHBondContact O-N 3.07Å; L856-I858 HydrophobicContact CD1-CG2 3.79Å; L856-I858 HydrophobicContact CD2-CD1 4.42Å; L856-I858 HydrophobicContact CD2-CG2 4.1Å; L856-I858 HydrophobicContact CG-CG2 3.78Å
857	D	82	Confident	77	Confident	7 Å²	7	61 Å²	61	4%	0.037	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.2	168.6	-177.9	19.2	0	0	0	111.1	L830 I831 I832 S833 M855 R859	L830-D857 PolarHBondContact O-N 2.86Å; I831-D857 HydrophobicContact CG2-CB 4.06Å; I832-D857 CarbonylContact C-O 3.5Å; I832-D857 PolarHBondContact N-O 3.21Å; S833-D857 WeakPolarHBondContact CB-OD2 3.49Å; S833-D857 PolarHBondContact N-O 3.49Å; S833-D857 VanDerWaalsContact N-O 3.1Å; S833-D857 PolarHBondContact OG-OD2 2.94Å; M855-D857 HydrophobicContact CE-CB 4.04Å; D857-R859 WeakPolarHBondContact OD1-CB 3.36Å; D857-R859 VanDerWaalsContact OD1-CG 3.22Å; D857-R859 WeakPolarHBondContact OD1-CG 3.27Å; D857-R859 IonicContact OD1-CZ 3.7Å; D857-R859 PolarHBondContact OD1-N 2.77Å; D857-R859 VanDerWaalsContact OD1-N 3.09Å; D857-R859 IonicContact OD1-NE 2.8Å; D857-R859 PolarHBondContact OD1-NE 3.46Å; D857-R859 IonicContact OD1-NH2 3.74Å; D857-R859 IonicContact OD2-CZ 3.46Å; D857-R859 IonicContact OD2-NE 3.33Å; D857-R859 PolarHBondContact OD2-NE 3.2Å; D857-R859 IonicContact OD2-NH2 2.74Å; D857-R859 PolarHBondContact OD2-NH2 3.12Å
858	I	83.1	Confident	76.6	Confident	8 Å²	8	65.2 Å²	65.2	4%	0.041	33%	0.328	C	S	.	.			trans	-114.3	6.7	-179.1	47	-179.6	0	0	0	112.6	I832 L843 L856 N861 T864 F869 I873	I832-I858 HydrophobicContact CG2-CG2 3.56Å; L843-I858 HydrophobicContact CD1-CD1 3.98Å; L843-I858 HydrophobicContact CD1-CG2 4.46Å; L843-I858 HydrophobicContact CD2-CG2 4.05Å; L856-I858 HydrophobicContact CD1-CG2 3.79Å; L856-I858 HydrophobicContact CD2-CD1 4.42Å; L856-I858 HydrophobicContact CD2-CG2 4.1Å; L856-I858 HydrophobicContact CG-CG2 3.78Å; I858-N861 PolarHBondContact O-ND2 3.5Å; I858-T864 VanDerWaalsContact O-CG2 3.31Å; I858-T864 WeakPolarHBondContact O-CG2 3.34Å; I858-F869 HydrophobicContact CD1-CE2 4.46Å; I858-F869 HydrophobicContact CD1-CZ 3.75Å; I858-I873 HydrophobicContact CD1-CD1 3.71Å
859	R	80.2	Confident	76.3	Confident	124 Å²	124	58.8 Å²	58.8	47%	0.468	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	150.7	-176	-68.6	173.9	-63.3	166.6	7.1	112.4	S833 H834 D857 N861	S833-R859 CarbonylContact C-O 3.51Å; S833-R859 WeakPolarHBondContact CA-O 3.3Å; S833-R859 WeakPolarHBondContact CB-O 3.49Å; H834-R859 PolarHBondContact N-O 2.72Å; D857-R859 WeakPolarHBondContact OD1-CB 3.36Å; D857-R859 VanDerWaalsContact OD1-CG 3.22Å; D857-R859 WeakPolarHBondContact OD1-CG 3.27Å; D857-R859 IonicContact OD1-CZ 3.7Å; D857-R859 PolarHBondContact OD1-N 2.77Å; D857-R859 VanDerWaalsContact OD1-N 3.09Å; D857-R859 IonicContact OD1-NE 2.8Å; D857-R859 PolarHBondContact OD1-NE 3.46Å; D857-R859 IonicContact OD1-NH2 3.74Å; D857-R859 IonicContact OD2-CZ 3.46Å; D857-R859 IonicContact OD2-NE 3.33Å; D857-R859 PolarHBondContact OD2-NE 3.2Å; D857-R859 IonicContact OD2-NH2 2.74Å; D857-R859 PolarHBondContact OD2-NH2 3.12Å; R859-N861 VanDerWaalsContact C-N 3.27Å; R859-N861 PolarHBondContact O-N 3.1Å
860	C	85.5	Confident	75.7	Confident	45 Å²	45	56 Å²	56	30%	0.304	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	35.1	179.2	-52.2	0	0	0	0	114	H834	H834-C860 WeakPolarHBondContact CA-O 3.45Å; H834-C860 HydrophobicContact CB-CB 4.48Å
861	N	83.6	Confident	75.1	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.011	31%	0.31	C	S	.	.			trans	-104.5	142.9	161.6	-80.8	-84.5	0	0	0	109.5	I832 N835 L836 I837 I858 R859 C863 T864	I832-N861 PolarHBondContact O-ND2 2.85Å; N835-N861 WeakPolarHBondContact CA-OD1 3.31Å; N835-N861 WeakPolarHBondContact CB-OD1 3.35Å; N835-N861 PolarHBondContact O-OD1 2.87Å; L836-N861 PolarHBondContact N-OD1 3.26Å; I837-N861 HydrophobicContact CB-CB 4.21Å; I837-N861 WeakPolarHBondContact CB-OD1 3.23Å; I837-N861 WeakPolarHBondContact CG1-OD1 3.31Å; I837-N861 PolarHBondContact N-OD1 2.89Å; I837-N861 VanDerWaalsContact N-OD1 3.1Å; I858-N861 PolarHBondContact O-ND2 3.5Å; R859-N861 VanDerWaalsContact C-N 3.27Å; R859-N861 PolarHBondContact O-N 3.1Å; N861-C863 PolarHBondContact O-N 3.32Å; N861-C863 VanDerWaalsContact O-N 3.11Å; N861-T864 HydrophobicContact CB-CG2 4.2Å; N861-T864 PolarHBondContact O-N 3.44Å; N861-T864 PolarHBondContact O-OG1 3.35Å
862	P	86.4	Confident	74.8	Confident	37 Å²	37	61.1 Å²	61.1	24%	0.24	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-53.4	-30.9	179.1	-27.3	32.7	0	0	0	115.4	N835 I837 T864 L865	N835-P862 WeakPolarHBondContact O-CD 3.4Å; I837-P862 VanDerWaalsContact O-CD 3.22Å; I837-P862 WeakPolarHBondContact O-CD 3.49Å; P862-T864 VanDerWaalsContact C-N 3.25Å; P862-T864 PolarHBondContact O-N 2.81Å; P862-L865 WeakPolarHBondContact O-CB 3.22Å; P862-L865 WeakPolarHBondContact O-CD1 3.47Å; P862-L865 WeakPolarHBondContact O-CG 3.38Å; P862-L865 PolarHBondContact O-N 2.96Å
863	C	81.8	Confident	74.7	Confident	8 Å²	8	51.7 Å²	51.7	5%	0.054	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-62.6	-27.8	176.9	65	0	0	0	0	113.5	I837 N838 N861 L865 G866 F869	I837-C863 HydrophobicContact CG2-CB 4.41Å; I837-C863 WeakPolarHBondContact O-CB 3.49Å; I837-C863 PolarHBondContact O-N 3.45Å; I837-C863 PolarHBondContact O-SG 3.43Å; N838-C863 WeakPolarHBondContact O-CB 3.31Å; N861-C863 PolarHBondContact O-N 3.32Å; N861-C863 VanDerWaalsContact O-N 3.11Å; C863-L865 PolarHBondContact O-N 2.87Å; C863-G866 PolarHBondContact O-N 3.36Å; C863-F869 WeakPolarHBondContact O-CD2 3.19Å
864	T	76	Confident	74.4	Confident	39 Å²	39	51.4 Å²	51.4	24%	0.239	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-75.1	7.1	-178.7	81.5	0	0	0	0	113.5	I858 N861 P862 F869	I858-T864 VanDerWaalsContact O-CG2 3.31Å; I858-T864 WeakPolarHBondContact O-CG2 3.34Å; N861-T864 HydrophobicContact CB-CG2 4.2Å; N861-T864 PolarHBondContact O-N 3.44Å; N861-T864 PolarHBondContact O-OG1 3.35Å; P862-T864 VanDerWaalsContact C-N 3.25Å; P862-T864 PolarHBondContact O-N 2.81Å; T864-F869 HydrophobicContact CG2-CE1 4.12Å; T864-F869 HydrophobicContact CG2-CE2 4Å; T864-F869 HydrophobicContact CG2-CZ 3.57Å
865	L	71.2	Confident	73.9	Confident	85 Å²	85	58.3 Å²	58.3	45%	0.445	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-106.9	-7.5	-178.2	-51	169.6	0	0	0	112.2	P862 C863 L918	P862-L865 WeakPolarHBondContact O-CB 3.22Å; P862-L865 WeakPolarHBondContact O-CD1 3.47Å; P862-L865 WeakPolarHBondContact O-CG 3.38Å; P862-L865 PolarHBondContact O-N 2.96Å; C863-L865 PolarHBondContact O-N 2.87Å; L865-L918 HydrophobicContact CD1-CD1 3.67Å; L865-L918 HydrophobicContact CD1-CD2 4.07Å; L865-L918 HydrophobicContact CD1-CG 4.4Å; L865-L918 HydrophobicContact CD2-CD1 3.53Å; L865-L918 HydrophobicContact CD2-CD2 4.1Å; L865-L918 HydrophobicContact CD2-CG 4.47Å; L865-L918 HydrophobicContact CG-CD1 4.25Å
866	G	68.7	Low	73	Confident	43 Å²	43	62.5 Å²	62.5	44%	0.443	32%	0.322	S	S	.	.	S	Bend	trans	-64.3	135	177.9	0	0	0	0	0	111.4	C863 N868 F869	C863-G866 PolarHBondContact O-N 3.36Å; G866-N868 PolarHBondContact O-N 3.5Å; G866-N868 VanDerWaalsContact O-N 3.1Å; G866-F869 WeakPolarHBondContact O-CB 3.4Å; G866-F869 PolarHBondContact O-N 3.02Å
867	L	56.9	Low	71.9	Confident	176 Å²	176	63.1 Å²	63.1	92%	0.921	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-35.4	-174.7	-67	170.9	0	0	0	113.4
868	N	65.3	Low	70.4	Confident	98 Å²	98	67.1 Å²	67.1	52%	0.524	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	4.4	-178.6	-58	34.7	0	0	0	112.9	G866 M870 E871 T872	G866-N868 PolarHBondContact O-N 3.5Å; G866-N868 VanDerWaalsContact O-N 3.1Å; N868-M870 VanDerWaalsContact C-N 3.3Å; N868-M870 PolarHBondContact O-N 3.35Å; N868-E871 WeakPolarHBondContact O-CA 3.49Å; N868-E871 WeakPolarHBondContact O-CB 3.28Å; N868-E871 PolarHBondContact O-N 3.46Å; N868-T872 PolarHBondContact O-N 3.24Å; N868-T872 VanDerWaalsContact O-N 3.08Å; N868-T872 PolarHBondContact O-OG1 2.96Å
869	F	69.3	Low	68.6	Low	21 Å²	21	71.7 Å²	71.7	9%	0.092	38%	0.375	C	S	.	.	H	α-helix	trans	-51.2	-46.9	-171.4	171.5	-99	0	0	0	112.4	I840 L843 I858 C863 T864 G866 E871 I873	I840-F869 HydrophobicContact CD1-CD2 3.7Å; I840-F869 HydrophobicContact CD1-CE2 4.32Å; I840-F869 HydrophobicContact CG1-CD2 4.14Å; I840-F869 HydrophobicContact CG1-CE2 4.39Å; L843-F869 HydrophobicContact CD1-CE2 4.2Å; I858-F869 HydrophobicContact CD1-CE2 4.46Å; I858-F869 HydrophobicContact CD1-CZ 3.75Å; C863-F869 WeakPolarHBondContact O-CD2 3.19Å; T864-F869 HydrophobicContact CG2-CE1 4.12Å; T864-F869 HydrophobicContact CG2-CE2 4Å; T864-F869 HydrophobicContact CG2-CZ 3.57Å; G866-F869 WeakPolarHBondContact O-CB 3.4Å; G866-F869 PolarHBondContact O-N 3.02Å; F869-E871 VanDerWaalsContact C-N 3.27Å; F869-E871 PolarHBondContact O-N 2.88Å; F869-I873 HydrophobicContact CD2-CD1 4.29Å; F869-I873 HydrophobicContact CD2-CG1 4.2Å; F869-I873 HydrophobicContact CE1-CD1 4.02Å; F869-I873 HydrophobicContact CE1-CG1 4.44Å; F869-I873 HydrophobicContact CE2-CD1 3.53Å; F869-I873 HydrophobicContact CE2-CG1 3.94Å; F869-I873 HydrophobicContact CZ-CD1 3.38Å; F869-I873 HydrophobicContact CZ-CG1 4.07Å; F869-I873 WeakPolarHBondContact O-CB 3.35Å; F869-I873 WeakPolarHBondContact O-CG1 3.18Å; F869-I873 PolarHBondContact O-N 3.06Å
870	M	63.5	Low	66.7	Low	54 Å²	54	67.2 Å²	67.2	27%	0.266	36%	0.361	S	S	.	.	H	α-helix	trans	-74.9	-8.1	179.6	-70.6	-58.5	-50.7	0	0	114.9	N868 K874 F895	N868-M870 VanDerWaalsContact C-N 3.3Å; N868-M870 PolarHBondContact O-N 3.35Å; M870-K874 WeakPolarHBondContact O-CD 3.46Å; M870-K874 WeakPolarHBondContact O-CE 3.5Å; M870-K874 VanDerWaalsContact O-CG 3.23Å; M870-K874 WeakPolarHBondContact O-CG 3.12Å; M870-F895 HydrophobicContact CB-CE1 4.43Å; M870-F895 HydrophobicContact CE-CD2 4.37Å; M870-F895 HydrophobicContact CE-CE1 4.1Å; M870-F895 HydrophobicContact CE-CE2 3.67Å; M870-F895 HydrophobicContact CE-CZ 3.53Å; M870-F895 HydrophobicContact CG-CE1 3.8Å; M870-F895 HydrophobicContact CG-CZ 3.66Å; M870-F895 HydrophobicContact SD-CE1 4.35Å; M870-F895 HydrophobicContact SD-CE2 4.22Å; M870-F895 HydrophobicContact SD-CZ 3.65Å
871	E	66.8	Low	64.7	Low	119 Å²	119	67.3 Å²	67.3	56%	0.556	36%	0.358	S	S	*	.	H	α-helix	trans	-89	-57.8	171.8	-59.4	-174.5	142	0	0	108.7	N868 F869 I873 K874 E875	N868-E871 WeakPolarHBondContact O-CA 3.49Å; N868-E871 WeakPolarHBondContact O-CB 3.28Å; N868-E871 PolarHBondContact O-N 3.46Å; F869-E871 VanDerWaalsContact C-N 3.27Å; F869-E871 PolarHBondContact O-N 2.88Å; E871-I873 VanDerWaalsContact C-N 3.27Å; E871-I873 PolarHBondContact O-N 3.11Å; E871-K874 WeakPolarHBondContact O-CA 3.34Å; E871-K874 WeakPolarHBondContact O-CB 3.47Å; E871-K874 PolarHBondContact O-N 3.33Å; E871-E875 PolarHBondContact O-N 2.96Å; E871-E875 VanDerWaalsContact O-N 3.13Å
872	T	69.2	Low	62.7	Low	43 Å²	43	71 Å²	71	26%	0.264	38%	0.381	S	S	.	.	H	α-helix	trans	-59.6	-36.5	179.5	-35.5	0	0	0	0	112.1	I840 F844 N868 K874 E875 E876	I840-T872 HydrophobicContact CD1-CG2 4.42Å; F844-T872 HydrophobicContact CE2-CG2 3.84Å; F844-T872 HydrophobicContact CZ-CG2 3.57Å; N868-T872 PolarHBondContact O-N 3.24Å; N868-T872 VanDerWaalsContact O-N 3.08Å; N868-T872 PolarHBondContact O-OG1 2.96Å; T872-K874 VanDerWaalsContact C-N 3.34Å; T872-K874 PolarHBondContact O-N 2.92Å; T872-E875 PolarHBondContact O-N 3.24Å; T872-E876 PolarHBondContact O-N 3.31Å
873	I	68.1	Low	60.5	Low	9 Å²	9	72.1 Å²	72.1	5%	0.046	39%	0.387	C	S	.	.	H	α-helix	trans	-64.8	-33	173	-79.6	-136	0	0	0	113	I840 I858 F869 E871 F877 I881	I840-I873 HydrophobicContact CD1-CG1 4.07Å; I858-I873 HydrophobicContact CD1-CD1 3.71Å; F869-I873 HydrophobicContact CD2-CD1 4.29Å; F869-I873 HydrophobicContact CD2-CG1 4.2Å; F869-I873 HydrophobicContact CE1-CD1 4.02Å; F869-I873 HydrophobicContact CE1-CG1 4.44Å; F869-I873 HydrophobicContact CE2-CD1 3.53Å; F869-I873 HydrophobicContact CE2-CG1 3.94Å; F869-I873 HydrophobicContact CZ-CD1 3.38Å; F869-I873 HydrophobicContact CZ-CG1 4.07Å; F869-I873 WeakPolarHBondContact O-CB 3.35Å; F869-I873 WeakPolarHBondContact O-CG1 3.18Å; F869-I873 PolarHBondContact O-N 3.06Å; E871-I873 VanDerWaalsContact C-N 3.27Å; E871-I873 PolarHBondContact O-N 3.11Å; I873-F877 HydrophobicContact CB-CD2 4.38Å; I873-F877 HydrophobicContact CD1-CD2 4.14Å; I873-F877 HydrophobicContact CD1-CE2 4.19Å; I873-F877 HydrophobicContact CG1-CD2 4.23Å; I873-F877 HydrophobicContact CG1-CE2 4.44Å; I873-F877 HydrophobicContact CG2-CD2 4.19Å; I873-F877 WeakPolarHBondContact O-CA 3.19Å; I873-F877 VanDerWaalsContact O-CB 3.27Å; I873-F877 WeakPolarHBondContact O-CB 3.47Å; I873-F877 PolarHBondContact O-N 3.15Å; I873-I881 HydrophobicContact CD1-CD1 4.16Å; I873-I881 HydrophobicContact CG2-CD1 3.54Å
874	K	63.4	Low	58.4	Low	126 Å²	126	73.6 Å²	73.6	55%	0.548	40%	0.398	S	S	.	.	H	α-helix	trans	-74.8	-30.5	177	-73.3	170.6	-168.2	158.8	0	112.3	M870 E871 T872	M870-K874 WeakPolarHBondContact O-CD 3.46Å; M870-K874 WeakPolarHBondContact O-CE 3.5Å; M870-K874 VanDerWaalsContact O-CG 3.23Å; M870-K874 WeakPolarHBondContact O-CG 3.12Å; E871-K874 WeakPolarHBondContact O-CA 3.34Å; E871-K874 WeakPolarHBondContact O-CB 3.47Å; E871-K874 PolarHBondContact O-N 3.33Å; T872-K874 VanDerWaalsContact C-N 3.34Å; T872-K874 PolarHBondContact O-N 2.92Å
875	E	65	Low	56.3	Low	147 Å²	147	75 Å²	75	69%	0.687	40%	0.404	S	S	*	.	H	α-helix	trans	-72.2	-46.1	177.5	-66.4	176	143.6	0	0	110.9	E871 T872	E871-E875 PolarHBondContact O-N 2.96Å; E871-E875 VanDerWaalsContact O-N 3.13Å; T872-E875 PolarHBondContact O-N 3.24Å
876	E	63.9	Low	54.4	Low	116 Å²	116	79.2 Å²	79.2	54%	0.542	42%	0.421	S	S	.	.	H	α-helix	trans	-84.7	-29.4	-178.3	-64.6	-63.9	155.4	0	0	114.2	F844 T872 P878	F844-E876 HydrophobicContact CD1-CB 3.63Å; F844-E876 HydrophobicContact CD1-CG 3.82Å; F844-E876 HydrophobicContact CD2-CG 4.3Å; F844-E876 HydrophobicContact CE1-CB 3.47Å; F844-E876 VanDerWaalsContact CE1-CB 3.47Å; F844-E876 HydrophobicContact CE1-CG 3.6Å; F844-E876 HydrophobicContact CE2-CG 4.08Å; F844-E876 HydrophobicContact CG-CB 4.42Å; F844-E876 HydrophobicContact CG-CG 4.2Å; F844-E876 HydrophobicContact CZ-CB 4.13Å; F844-E876 HydrophobicContact CZ-CG 3.74Å; T872-E876 PolarHBondContact O-N 3.31Å; E876-P878 WeakPolarHBondContact O-CD 3.42Å
877	F	60.3	Low	52.6	Low	19 Å²	19	83.6 Å²	83.6	8%	0.083	44%	0.435	C	S	.	.			trans	-119.2	49	-177.8	-57	-65.1	0	0	0	116	F844 T847 I873 N879 T880 I881	F844-F877 HydrophobicContact CD1-CD2 4.31Å; F844-F877 AromaticContact CD1-CE2 3.44Å; F844-F877 HydrophobicContact CD1-CE2 3.44Å; F844-F877 VanDerWaalsContact CD1-CE2 3.44Å; F844-F877 AromaticContact CD1-CZ 3.59Å; F844-F877 HydrophobicContact CD1-CZ 3.59Å; F844-F877 HydrophobicContact CE1-CD2 4.11Å; F844-F877 AromaticContact CE1-CE2 3.52Å; F844-F877 HydrophobicContact CE1-CE2 3.52Å; F844-F877 HydrophobicContact CE1-CZ 4.16Å; T847-F877 HydrophobicContact CG2-CE1 4.31Å; T847-F877 HydrophobicContact CG2-CZ 4.14Å; T847-F877 WeakPolarHBondContact OG1-CE1 3.04Å; T847-F877 WeakPolarHBondContact OG1-CZ 3.36Å; I873-F877 HydrophobicContact CB-CD2 4.38Å; I873-F877 HydrophobicContact CD1-CD2 4.14Å; I873-F877 HydrophobicContact CD1-CE2 4.19Å; I873-F877 HydrophobicContact CG1-CD2 4.23Å; I873-F877 HydrophobicContact CG1-CE2 4.44Å; I873-F877 HydrophobicContact CG2-CD2 4.19Å; I873-F877 WeakPolarHBondContact O-CA 3.19Å; I873-F877 VanDerWaalsContact O-CB 3.27Å; I873-F877 WeakPolarHBondContact O-CB 3.47Å; I873-F877 PolarHBondContact O-N 3.15Å; F877-N879 PolarHBondContact O-N 3.01Å; F877-T880 PolarHBondContact O-N 3.39Å; F877-I881 HydrophobicContact CB-CD1 3.55Å; F877-I881 HydrophobicContact CB-CG1 3.92Å; F877-I881 HydrophobicContact CD2-CD1 3.56Å; F877-I881 HydrophobicContact CE2-CD1 4.39Å; F877-I881 HydrophobicContact CG-CD1 3.71Å; F877-I881 HydrophobicContact CG-CG1 4.31Å
878	P	50.1	Low	51.4	Low	90 Å²	90	79.7 Å²	79.7	58%	0.584	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-6.3	-176.6	25.7	-34.3	0	0	0	115.3	E876	E876-P878 WeakPolarHBondContact O-CD 3.42Å
879	N	44.5	Very low	49.6	Very low	104 Å²	104	84.6 Å²	84.6	56%	0.556	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.2	10.5	-176.1	-60.3	-89.3	0	0	0	114.9	F877	F877-N879 PolarHBondContact O-N 3.01Å
880	T	41.2	Very low	47.7	Very low	30 Å²	30	88.5 Å²	88.5	18%	0.184	47%	0.472	C	S	.	.	S	Bend	trans	-130.4	7.8	-166.3	-26.2	0	0	0	0	114	C854 F877	C854-T880 HydrophobicContact CB-CG2 4.48Å; F877-T880 PolarHBondContact O-N 3.39Å
881	I	44.5	Very low	46	Very low	47 Å²	47	89.7 Å²	89.7	24%	0.241	48%	0.482	C	S	.	.			trans	-131.9	86.5	-175.7	-64.2	178.7	0	0	0	110.8	I873 F877 T883	I873-I881 HydrophobicContact CD1-CD1 4.16Å; I873-I881 HydrophobicContact CG2-CD1 3.54Å; F877-I881 HydrophobicContact CB-CD1 3.55Å; F877-I881 HydrophobicContact CB-CG1 3.92Å; F877-I881 HydrophobicContact CD2-CD1 3.56Å; F877-I881 HydrophobicContact CE2-CD1 4.39Å; F877-I881 HydrophobicContact CG-CD1 3.71Å; F877-I881 HydrophobicContact CG-CG1 4.31Å; I881-T883 VanDerWaalsContact C-N 3.27Å; I881-T883 HydrophobicContact CG2-CG2 3.41Å; I881-T883 VanDerWaalsContact CG2-CG2 3.41Å; I881-T883 PolarHBondContact O-N 3.29Å
882	T	40.3	Very low	44	Very low	80 Å²	80	92.5 Å²	92.5	49%	0.491	50%	0.498	S	S	.	.			trans	-78.4	83	138.5	37.8	0	0	0	0	108.2	S884	T882-S884 PolarHBondContact O-N 2.93Å
883	T	40.8	Very low	41.8	Very low	60 Å²	60	95.2 Å²	95.2	37%	0.368	51%	0.514	S	S	.	.			trans	-55.5	117	157.3	44.2	0	0	0	0	106.3	I881 N885	I881-T883 VanDerWaalsContact C-N 3.27Å; I881-T883 HydrophobicContact CG2-CG2 3.41Å; I881-T883 VanDerWaalsContact CG2-CG2 3.41Å; I881-T883 PolarHBondContact O-N 3.29Å; T883-N885 VanDerWaalsContact C-N 3.28Å; T883-N885 PolarHBondContact O-N 3.26Å
884	S	36.7	Very low	39.7	Very low	39 Å²	39	99 Å²	99	27%	0.273	53%	0.533	S	S	.	.	S	Bend	trans	-74.4	79.1	-167.2	59	0	0	0	0	112.3	T882	T882-S884 PolarHBondContact O-N 2.93Å
885	N	32.3	Very low	37.9	Very low	68 Å²	68	98.7 Å²	98.7	36%	0.364	53%	0.532	S	S	.	.			trans	-100.8	24.2	162.7	-70.2	-24.8	0	0	0	110.8	T883 D887 I894	T883-N885 VanDerWaalsContact C-N 3.28Å; T883-N885 PolarHBondContact O-N 3.26Å; N885-D887 PolarHBondContact O-N 3.05Å; N885-I894 HydrophobicContact CB-CD1 4.28Å; N885-I894 WeakPolarHBondContact ND2-CD1 3.2Å
886	Q	31	Very low	36	Very low	174 Å²	174	99.5 Å²	99.5	81%	0.813	54%	0.536	S	S	*	.			trans	-99.4	59.9	176.9	-71.2	-159.1	-37.5	0	0	111.4
887	D	31.7	Very low	34.1	Very low	135 Å²	135	99.4 Å²	99.4	72%	0.722	54%	0.539	S	S	*	.	S	Bend	trans	-108.4	110.7	159.1	-80.5	-52.8	0	0	0	108.5	N885	N885-D887 PolarHBondContact O-N 3.05Å
888	S	30.9	Very low	32.5	Very low	94 Å²	94	108 Å²	108	66%	0.657	58%	0.579	S	S	*	*	S	Bend	trans	66.8	148.7	176.2	77	0	0	0	0	118.7	S890	S888-S890 PolarHBondContact O-N 3.36Å
889	E	28.6	Very low	31.4	Very low	202 Å²	202	110.4 Å²	110.4	94%	0.944	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	57.3	176.3	-64.2	179.7	105.2	0	0	111.9
890	S	29.3	Very low	30.6	Very low	103 Å²	103	114.4 Å²	114.4	72%	0.72	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.9	-2	-178	-68.7	0	0	0	0	115.6	S888	S888-S890 PolarHBondContact O-N 3.36Å
891	T	28	Very low	29.9	Very low	78 Å²	78	118.1 Å²	118.1	48%	0.479	61%	0.611	S	S	.	*			trans	-121.4	50.9	-172.4	39.5	0	0	0	0	113.5	T893	T891-T893 PolarHBondContact O-N 3.04Å
892	M	23.6	Very low	29.1	Very low	179 Å²	179	122 Å²	122	88%	0.882	64%	0.637	S	S	*	*			trans	-71.8	40.2	174.1	-91.6	-70.3	-67.2	0	0	114.3
893	T	24.4	Very low	28.4	Very low	99 Å²	99	123.2 Å²	123.2	61%	0.607	64%	0.644	S	S	*	*			trans	-154.3	57.9	-166	12.9	0	0	0	0	115	T891	T891-T893 PolarHBondContact O-N 3.04Å
894	I	24.1	Very low	28	Very low	88 Å²	88	125.8 Å²	125.8	45%	0.451	66%	0.66	S	S	.	*	S	Bend	trans	-123.1	-16.8	172.9	-65.1	-179.3	0	0	0	115.1	N885	N885-I894 HydrophobicContact CB-CD1 4.28Å; N885-I894 WeakPolarHBondContact ND2-CD1 3.2Å
895	F	25.5	Very low	27.8	Very low	120 Å²	120	128.9 Å²	128.9	53%	0.526	67%	0.668	S	S	.	*	S	Bend	trans	-135.5	20.4	173.7	-82.5	-66.9	0	0	0	115.8	M870	M870-F895 HydrophobicContact CB-CE1 4.43Å; M870-F895 HydrophobicContact CE-CD2 4.37Å; M870-F895 HydrophobicContact CE-CE1 4.1Å; M870-F895 HydrophobicContact CE-CE2 3.67Å; M870-F895 HydrophobicContact CE-CZ 3.53Å; M870-F895 HydrophobicContact CG-CE1 3.8Å; M870-F895 HydrophobicContact CG-CZ 3.66Å; M870-F895 HydrophobicContact SD-CE1 4.35Å; M870-F895 HydrophobicContact SD-CE2 4.22Å; M870-F895 HydrophobicContact SD-CZ 3.65Å
896	Q	24.1	Very low	27.7	Very low	164 Å²	164	129.9 Å²	129.9	77%	0.766	68%	0.68	S	S	*	*	S	Bend	trans	-141.5	82.8	170.9	-72.5	-170.9	-14.5	0	0	111.5
897	N	24.6	Very low	27.9	Very low	114 Å²	114	123.8 Å²	123.8	61%	0.61	67%	0.665	S	S	*	*			trans	-176.7	160.4	144.9	-103.5	2	0	0	0	110.6	E899	N897-E899 HydrophobicContact CB-CB 4.26Å; N897-E899 HydrophobicContact CB-CG 4.34Å; N897-E899 PolarHBondContact ND2-OE2 3.49Å; N897-E899 PolarHBondContact O-N 3.28Å; N897-E899 VanDerWaalsContact O-N 3.1Å
898	H	27.1	Very low	28.2	Very low	199 Å²	199	122.6 Å²	122.6	92%	0.921	67%	0.667	S	S	*	*	S	Bend	trans	-75.2	17.3	172.3	-104	-81.5	0	0	0	113.5
899	E	27.3	Very low	28.7	Very low	141 Å²	141	121.8 Å²	121.8	66%	0.659	65%	0.654	S	S	*	*			trans	-108.5	50.1	-169.5	-63.7	177.9	121.1	0	0	111.7	N897 Q901	N897-E899 HydrophobicContact CB-CB 4.26Å; N897-E899 HydrophobicContact CB-CG 4.34Å; N897-E899 PolarHBondContact ND2-OE2 3.49Å; N897-E899 PolarHBondContact O-N 3.28Å; N897-E899 VanDerWaalsContact O-N 3.1Å; E899-Q901 PolarHBondContact O-N 3.08Å
900	F	26.9	Very low	29.3	Very low	188 Å²	188	113.7 Å²	113.7	83%	0.825	62%	0.62	S	S	*	*			trans	-73.7	32.8	175	-134.7	-85.8	0	0	0	112.4
901	Q	26.6	Very low	30	Very low	109 Å²	109	116 Å²	116	51%	0.509	62%	0.619	S	S	.	*	S	Bend	trans	-139	139	-163.5	-58.6	-173.6	-7.8	0	0	111.2	E899 T903 H926	E899-Q901 PolarHBondContact O-N 3.08Å; Q901-T903 PolarHBondContact O-N 3.13Å; Q901-H926 VanDerWaalsContact CD-NE2 3.27Å; Q901-H926 WeakPolarHBondContact CG-NE2 3.5Å; Q901-H926 PolarHBondContact NE2-CE1 3.34Å; Q901-H926 PolarHBondContact NE2-NE2 2.87Å
902	T	26.6	Very low	30.9	Very low	128 Å²	128	114.5 Å²	114.5	79%	0.785	61%	0.612	S	S	*	*	S	Bend	trans	76.3	-37.8	168.8	75.1	0	0	0	0	121.1
903	T	27	Very low	31.9	Very low	106 Å²	106	109.7 Å²	109.7	65%	0.65	60%	0.595	S	S	*	*	S	Bend	trans	-99.7	-21.5	-165	45	0	0	0	0	117.9	Q901 F905	Q901-T903 PolarHBondContact O-N 3.13Å; T903-F905 PolarHBondContact O-N 2.88Å
904	V	31.5	Very low	32.9	Very low	114 Å²	114	109.3 Å²	109.3	69%	0.691	59%	0.587	S	S	*	*	S	Bend	trans	-80.3	-13.7	-173.1	-178.3	0	0	0	0	113.7	S906	V904-S906 PolarHBondContact O-N 3.17Å
905	F	33.8	Very low	33.9	Very low	104 Å²	104	106.3 Å²	106.3	46%	0.456	57%	0.573	S	S	.	*			trans	-78.6	27.6	-176	-72.3	-78	0	0	0	115.2	T903 G907 I909 R919	T903-F905 PolarHBondContact O-N 2.88Å; F905-G907 PolarHBondContact O-N 2.96Å; F905-I909 HydrophobicContact CD1-CD1 3.72Å; F905-I909 HydrophobicContact CE1-CD1 4.21Å; F905-I909 HydrophobicContact CG-CD1 4.39Å; F905-R919 HydrophobicContact CD1-CG 4.2Å; F905-R919 HydrophobicContact CE1-CB 4.06Å; F905-R919 HydrophobicContact CE1-CG 3.77Å; F905-R919 HydrophobicContact CZ-CG 4.45Å
906	S	29.3	Very low	34.8	Very low	88 Å²	88	104.2 Å²	104.2	62%	0.615	57%	0.567	S	S	*	*	S	Bend	trans	-88	74.4	-173.7	43.2	0	0	0	0	114	V904 S908	V904-S906 PolarHBondContact O-N 3.17Å; S906-S908 VanDerWaalsContact C-N 3.33Å; S906-S908 PolarHBondContact O-N 3.49Å
907	G	34.8	Very low	35.5	Very low	47 Å²	47	105.6 Å²	105.6	49%	0.485	57%	0.565	S	S	.	*	S	Bend	trans	74.3	-2.8	150.8	0	0	0	0	0	119.5	N456 F905	N456-G907 PolarHBondContact ND2-O 3.17Å; F905-G907 PolarHBondContact O-N 2.96Å
908	S	38.8	Very low	36.2	Very low	110 Å²	110	103.1 Å²	103.1	77%	0.769	55%	0.551	S	S	*	*			trans	-124.4	6.7	-178.1	57.1	0	0	0	0	115	S906	S906-S908 VanDerWaalsContact C-N 3.33Å; S906-S908 PolarHBondContact O-N 3.49Å
909	I	40.9	Very low	36.8	Very low	76 Å²	76	97.9 Å²	97.9	39%	0.39	52%	0.524	S	S	.	.	S	Bend	trans	-74.7	141.4	-178.5	-64.1	177.3	0	0	0	111.6	F905 Q911	F905-I909 HydrophobicContact CD1-CD1 3.72Å; F905-I909 HydrophobicContact CE1-CD1 4.21Å; F905-I909 HydrophobicContact CG-CD1 4.39Å; I909-Q911 PolarHBondContact O-N 3.48Å
910	C	40.9	Very low	37.3	Very low	33 Å²	33	95.5 Å²	95.5	22%	0.223	52%	0.515	C	S	.	.			trans	-42.2	120.8	170.7	-175.9	0	0	0	0	113.2	H834 C912 C915	H834-C910 PolarHBondContact CE1-SG 3.14Å; H834-C910 PolarHBondContact ND1-SG 3.39Å; H834-C910 VanDerWaalsContact ND1-SG 3.43Å; C910-C912 PolarHBondContact O-N 3.38Å; C910-C912 PolarHBondContact SG-N 2.83Å; C910-C915 HydrophobicContact CB-CB 4.41Å; C910-C915 WeakPolarHBondContact O-CB 3.23Å
911	Q	45.1	Very low	37.8	Very low	151 Å²	151	90.2 Å²	90.2	71%	0.706	50%	0.501	S	S	*	.			trans	-85.5	21.1	178.1	-59.4	-166.3	15.9	0	0	113.8	I909 I916	I909-Q911 PolarHBondContact O-N 3.48Å; Q911-I916 HydrophobicContact CB-CD1 4.43Å; Q911-I916 VanDerWaalsContact O-CD1 3.28Å; Q911-I916 WeakPolarHBondContact O-CD1 3.14Å
912	C	45.2	Very low	38.2	Very low	47 Å²	47	88.3 Å²	88.3	32%	0.318	50%	0.498	S	S	.	.			trans	-67.6	153.4	175.5	82.5	0	0	0	0	111	C910 Q914 C915 I916	C910-C912 PolarHBondContact O-N 3.38Å; C910-C912 PolarHBondContact SG-N 2.83Å; C912-Q914 PolarHBondContact O-N 3.47Å; C912-C915 PolarHBondContact O-N 2.94Å; C912-C915 PolarHBondContact SG-N 2.97Å; C912-C915 VanDerWaalsContact SG-N 3.39Å; C912-I916 PolarHBondContact O-N 3.1Å
913	S	45.6	Very low	38.7	Very low	77 Å²	77	85.7 Å²	85.7	54%	0.538	48%	0.477	S	S	.	.	H	α-helix	trans	-63.1	-28	-176	54.7	0	0	0	0	113.4	R917	S913-R917 VanDerWaalsContact O-CB 3.28Å; S913-R917 WeakPolarHBondContact O-CB 3.28Å; S913-R917 VanDerWaalsContact O-CG 3.25Å; S913-R917 WeakPolarHBondContact O-CG 3.49Å; S913-R917 PolarHBondContact O-N 2.82Å
914	Q	45.5	Very low	39.2	Very low	91 Å²	91	85.5 Å²	85.5	43%	0.425	47%	0.469	S	S	.	.	H	α-helix	trans	-61.6	-54.7	167.3	-101.2	89.1	-21.7	0	0	111.7	C912 I916 R917 L918	C912-Q914 PolarHBondContact O-N 3.47Å; Q914-I916 VanDerWaalsContact C-N 3.31Å; Q914-I916 PolarHBondContact O-N 3.41Å; Q914-R917 PolarHBondContact O-N 3.48Å; Q914-R917 VanDerWaalsContact O-N 3.17Å; Q914-L918 WeakPolarHBondContact O-CB 3.33Å; Q914-L918 WeakPolarHBondContact O-CD1 3.32Å; Q914-L918 WeakPolarHBondContact O-CG 3.42Å; Q914-L918 PolarHBondContact O-N 3.5Å
915	C	44.1	Very low	39.5	Very low	26 Å²	26	89 Å²	89	18%	0.176	47%	0.471	C	S	.	.	H	α-helix	trans	-62.9	-36.7	-178.4	-71.6	0	0	0	0	112.4	C910 C912 L918 R919	C910-C915 HydrophobicContact CB-CB 4.41Å; C910-C915 WeakPolarHBondContact O-CB 3.23Å; C912-C915 PolarHBondContact O-N 2.94Å; C912-C915 PolarHBondContact SG-N 2.97Å; C912-C915 VanDerWaalsContact SG-N 3.39Å; C915-L918 PolarHBondContact O-N 3.21Å; C915-R919 WeakPolarHBondContact O-CB 3.25Å; C915-R919 PolarHBondContact O-N 3.18Å
916	I	45.1	Very low	39.7	Very low	76 Å²	76	89.4 Å²	89.4	39%	0.39	47%	0.474	S	S	.	.	H	α-helix	trans	-66.7	-44.5	173.2	-65.5	172.7	0	0	0	111.1	Q911 C912 Q914 L918 R919 I920	Q911-I916 HydrophobicContact CB-CD1 4.43Å; Q911-I916 VanDerWaalsContact O-CD1 3.28Å; Q911-I916 WeakPolarHBondContact O-CD1 3.14Å; C912-I916 PolarHBondContact O-N 3.1Å; Q914-I916 VanDerWaalsContact C-N 3.31Å; Q914-I916 PolarHBondContact O-N 3.41Å; I916-L918 PolarHBondContact O-N 2.82Å; I916-R919 PolarHBondContact O-N 3.38Å; I916-I920 HydrophobicContact CG2-CD1 3.95Å; I916-I920 WeakPolarHBondContact O-CG1 3.4Å; I916-I920 PolarHBondContact O-N 2.84Å
917	R	39.2	Very low	40.1	Very low	193 Å²	193	93.1 Å²	93.1	73%	0.728	48%	0.479	S	S	*	.	H	α-helix	trans	-62.8	-39.4	175.2	-80.9	176.9	172.1	-176	-1.8	112.5	S913 Q914 I920 S921	S913-R917 VanDerWaalsContact O-CB 3.28Å; S913-R917 WeakPolarHBondContact O-CB 3.28Å; S913-R917 VanDerWaalsContact O-CG 3.25Å; S913-R917 WeakPolarHBondContact O-CG 3.49Å; S913-R917 PolarHBondContact O-N 2.82Å; Q914-R917 PolarHBondContact O-N 3.48Å; Q914-R917 VanDerWaalsContact O-N 3.17Å; R917-I920 PolarHBondContact O-N 3.35Å; R917-S921 WeakPolarHBondContact O-CB 3.39Å; R917-S921 PolarHBondContact O-N 3.31Å
918	L	40	Very low	40.2	Very low	61 Å²	61	100.1 Å²	100.1	32%	0.319	50%	0.5	S	S	.	.	H	α-helix	trans	-64.3	-45.7	175.4	-75.2	160	0	0	0	111.3	L865 Q914 C915 I916 I920 S921 C922	L865-L918 HydrophobicContact CD1-CD1 3.67Å; L865-L918 HydrophobicContact CD1-CD2 4.07Å; L865-L918 HydrophobicContact CD1-CG 4.4Å; L865-L918 HydrophobicContact CD2-CD1 3.53Å; L865-L918 HydrophobicContact CD2-CD2 4.1Å; L865-L918 HydrophobicContact CD2-CG 4.47Å; L865-L918 HydrophobicContact CG-CD1 4.25Å; Q914-L918 WeakPolarHBondContact O-CB 3.33Å; Q914-L918 WeakPolarHBondContact O-CD1 3.32Å; Q914-L918 WeakPolarHBondContact O-CG 3.42Å; Q914-L918 PolarHBondContact O-N 3.5Å; C915-L918 PolarHBondContact O-N 3.21Å; I916-L918 PolarHBondContact O-N 2.82Å; L918-I920 VanDerWaalsContact C-N 3.34Å; L918-I920 PolarHBondContact O-N 3.34Å; L918-S921 PolarHBondContact O-N 3.1Å; L918-C922 WeakPolarHBondContact O-CB 3.47Å; L918-C922 PolarHBondContact O-N 2.77Å; L918-C922 PolarHBondContact O-SG 3.43Å; L918-C922 VanDerWaalsContact O-SG 3.34Å
919	R	38.9	Very low	40.3	Very low	90 Å²	90	99.7 Å²	99.7	34%	0.34	49%	0.486	S	S	.	.	H	α-helix	trans	-55.3	-49.2	173	177.2	177.6	171	178.4	-0.4	111.3	F905 C915 I916 S921 C922 E923	F905-R919 HydrophobicContact CD1-CG 4.2Å; F905-R919 HydrophobicContact CE1-CB 4.06Å; F905-R919 HydrophobicContact CE1-CG 3.77Å; F905-R919 HydrophobicContact CZ-CG 4.45Å; C915-R919 WeakPolarHBondContact O-CB 3.25Å; C915-R919 PolarHBondContact O-N 3.18Å; I916-R919 PolarHBondContact O-N 3.38Å; R919-S921 PolarHBondContact O-N 3.25Å; R919-C922 PolarHBondContact O-N 2.88Å; R919-E923 HydrophobicContact CG-CG 4.44Å; R919-E923 WeakPolarHBondContact CG-OE1 3.31Å; R919-E923 IonicContact CZ-OE1 3.5Å; R919-E923 IonicContact NE-OE1 2.77Å; R919-E923 PolarHBondContact NE-OE1 2.88Å; R919-E923 IonicContact NH2-OE1 3.31Å; R919-E923 PolarHBondContact NH2-OE1 3.22Å; R919-E923 WeakPolarHBondContact O-CB 3.33Å; R919-E923 VanDerWaalsContact O-CG 3.31Å; R919-E923 WeakPolarHBondContact O-CG 3.33Å; R919-E923 PolarHBondContact O-N 2.97Å
920	I	37.8	Very low	40.2	Very low	91 Å²	91	100.9 Å²	100.9	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-60.9	-45.4	177.1	-67.2	164.5	0	0	0	111	I916 R917 L918 C922 E923 Q924	I916-I920 HydrophobicContact CG2-CD1 3.95Å; I916-I920 WeakPolarHBondContact O-CG1 3.4Å; I916-I920 PolarHBondContact O-N 2.84Å; R917-I920 PolarHBondContact O-N 3.35Å; L918-I920 VanDerWaalsContact C-N 3.34Å; L918-I920 PolarHBondContact O-N 3.34Å; I920-C922 PolarHBondContact O-N 3.43Å; I920-E923 CarbonylContact O-C 3.53Å; I920-E923 PolarHBondContact O-N 2.77Å; I920-Q924 VanDerWaalsContact O-CB 3.28Å; I920-Q924 WeakPolarHBondContact O-CB 3.23Å; I920-Q924 PolarHBondContact O-N 3.29Å
921	S	37.4	Very low	40.2	Very low	76 Å²	76	104.7 Å²	104.7	53%	0.531	51%	0.506	S	S	.	.	H	α-helix	trans	-66.2	-36.8	-179.3	-162	0	0	0	0	112.5	R917 L918 R919 Q924 Y925	R917-S921 WeakPolarHBondContact O-CB 3.39Å; R917-S921 PolarHBondContact O-N 3.31Å; L918-S921 PolarHBondContact O-N 3.1Å; R919-S921 PolarHBondContact O-N 3.25Å; S921-Q924 PolarHBondContact O-N 2.85Å; S921-Y925 WeakPolarHBondContact O-CB 3.33Å; S921-Y925 PolarHBondContact O-N 3.22Å
922	C	34.5	Very low	39.9	Very low	69 Å²	69	101.9 Å²	101.9	47%	0.466	49%	0.494	S	S	.	.	H	α-helix	trans	-69.9	-43.4	171.9	-69.3	0	0	0	0	111.3	L918 R919 I920 Q924 Y925 H926	L918-C922 WeakPolarHBondContact O-CB 3.47Å; L918-C922 PolarHBondContact O-N 2.77Å; L918-C922 PolarHBondContact O-SG 3.43Å; L918-C922 VanDerWaalsContact O-SG 3.34Å; R919-C922 PolarHBondContact O-N 2.88Å; I920-C922 PolarHBondContact O-N 3.43Å; C922-Q924 PolarHBondContact O-N 3.27Å; C922-Y925 PolarHBondContact O-N 3.16Å; C922-H926 WeakPolarHBondContact O-CB 3.42Å; C922-H926 PolarHBondContact O-N 2.91Å
923	E	38	Very low	39.6	Very low	73 Å²	73	105.4 Å²	105.4	34%	0.341	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-17.3	173.4	-76.2	-178.9	-159.6	0	0	113.2	R919 I920 K927	R919-E923 HydrophobicContact CG-CG 4.44Å; R919-E923 WeakPolarHBondContact CG-OE1 3.31Å; R919-E923 IonicContact CZ-OE1 3.5Å; R919-E923 IonicContact NE-OE1 2.77Å; R919-E923 PolarHBondContact NE-OE1 2.88Å; R919-E923 IonicContact NH2-OE1 3.31Å; R919-E923 PolarHBondContact NH2-OE1 3.22Å; R919-E923 WeakPolarHBondContact O-CB 3.33Å; R919-E923 VanDerWaalsContact O-CG 3.31Å; R919-E923 WeakPolarHBondContact O-CG 3.33Å; R919-E923 PolarHBondContact O-N 2.97Å; I920-E923 CarbonylContact O-C 3.53Å; I920-E923 PolarHBondContact O-N 2.77Å; E923-K927 VanDerWaalsContact O-CD 3.23Å; E923-K927 WeakPolarHBondContact O-CD 3.23Å; E923-K927 VanDerWaalsContact O-CE 3.23Å; E923-K927 WeakPolarHBondContact O-CE 3.35Å; E923-K927 WeakPolarHBondContact O-CG 3.28Å; E923-K927 PolarHBondContact O-NZ 3.41Å
924	Q	37.4	Very low	39.2	Very low	102 Å²	102	107.3 Å²	107.3	48%	0.477	50%	0.503	S	S	.	.	H	α-helix	trans	-94.2	-43.7	176.4	-171.2	166.7	-20.1	0	0	111.7	I920 S921 C922 H926 K927 E928	I920-Q924 VanDerWaalsContact O-CB 3.28Å; I920-Q924 WeakPolarHBondContact O-CB 3.23Å; I920-Q924 PolarHBondContact O-N 3.29Å; S921-Q924 PolarHBondContact O-N 2.85Å; C922-Q924 PolarHBondContact O-N 3.27Å; Q924-H926 PolarHBondContact O-N 2.97Å; Q924-H926 VanDerWaalsContact O-N 3.16Å; Q924-K927 WeakPolarHBondContact O-CB 3.37Å; Q924-K927 PolarHBondContact O-N 3.32Å; Q924-E928 PolarHBondContact O-N 3.36Å
925	Y	38.2	Very low	38.7	Very low	189 Å²	189	108.4 Å²	108.4	74%	0.741	51%	0.509	S	S	*	.	H	α-helix	trans	-62.2	-16.7	168.6	-170.7	-93	0	0	0	113	S921 C922	S921-Y925 WeakPolarHBondContact O-CB 3.33Å; S921-Y925 PolarHBondContact O-N 3.22Å; C922-Y925 PolarHBondContact O-N 3.16Å
926	H	36.5	Very low	38.3	Very low	112 Å²	112	114.8 Å²	114.8	52%	0.519	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-4	170.6	-120.4	-62.5	0	0	0	114.8	Q901 C922 Q924	Q901-H926 VanDerWaalsContact CD-NE2 3.27Å; Q901-H926 WeakPolarHBondContact CG-NE2 3.5Å; Q901-H926 PolarHBondContact NE2-CE1 3.34Å; Q901-H926 PolarHBondContact NE2-NE2 2.87Å; C922-H926 WeakPolarHBondContact O-CB 3.42Å; C922-H926 PolarHBondContact O-N 2.91Å; Q924-H926 PolarHBondContact O-N 2.97Å; Q924-H926 VanDerWaalsContact O-N 3.16Å
927	K	39.4	Very low	37.7	Very low	165 Å²	165	118 Å²	118	72%	0.717	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-19.2	-179.5	-71.3	169.1	-173.1	147.3	0	113.4	E923 Q924	E923-K927 VanDerWaalsContact O-CD 3.23Å; E923-K927 WeakPolarHBondContact O-CD 3.23Å; E923-K927 VanDerWaalsContact O-CE 3.23Å; E923-K927 WeakPolarHBondContact O-CE 3.35Å; E923-K927 WeakPolarHBondContact O-CG 3.28Å; E923-K927 PolarHBondContact O-NZ 3.41Å; Q924-K927 WeakPolarHBondContact O-CB 3.37Å; Q924-K927 PolarHBondContact O-N 3.32Å
928	E	35.5	Very low	37.6	Very low	195 Å²	195	111.2 Å²	111.2	91%	0.911	53%	0.53	S	S	*	.			trans	-85.4	0	171.3	-67.5	176.2	-166.2	0	0	111	Q924	Q924-E928 PolarHBondContact O-N 3.36Å

Retrieved 928 of 928 residues in 700.3 ms (Link to these results)

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