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Threonylcarbamoyladenosine tRNA methylthiotransferase

Catalyzes the methylthiolation of N6-threonylcarbamoyladenosine (t(6)A), leading to the formation of 2-methylthio-N6-threonylcarbamoyladenosine (ms(2)t(6)A) at position 37 in tRNAs that read codons beginning with adenine.

AlphaFold DB , UniProt , Accession A0A5K4FE83, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 647 aa.

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(Predicted Aligned Error values between residue pairs)

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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	19	Very low	26.3	Very low	235 Å²	235	157.6 Å²	157.6	100%	1.158	84%	0.837	S	S	*	*				0	102.6	0	-97	-171	-171.3	0	0	102.8
2	D	23.3	Very low	26.3	Very low	165 Å²	165	163.4 Å²	163.4	88%	0.882	84%	0.838	S	S	*	*			trans	-109	110.3	-162.9	-61	1.1	0	0	0	107.9
3	I	25.3	Very low	26.5	Very low	155 Å²	155	160.6 Å²	160.6	80%	0.795	84%	0.837	S	S	*	*			trans	-75.1	125.3	169.9	-91.2	166.6	0	0	0	107
4	E	27.5	Very low	26.8	Very low	152 Å²	152	162.6 Å²	162.6	71%	0.71	84%	0.84	S	S	*	*			trans	167.1	105.2	134.8	-92.6	162.7	-146.3	0	0	112
5	D	27.5	Very low	26.9	Very low	143 Å²	143	161 Å²	161	77%	0.765	84%	0.841	S	S	*	*			trans	-94.3	112.2	151.1	-70.2	-43.9	0	0	0	106.7	K493	D5-K493 IonicContact OD1-NZ 3.24Å
6	L	27.5	Very low	27	Very low	155 Å²	155	163.6 Å²	163.6	81%	0.812	85%	0.847	S	S	*	*			trans	-128.6	113.5	158.4	-79.8	172.7	0	0	0	108.1	A8	L6-A8 PolarHBondContact O-N 2.96Å
7	S	27.7	Very low	27	Very low	114 Å²	114	159.4 Å²	159.4	80%	0.797	84%	0.836	S	S	*	*			trans	-56	125.2	-176.2	46.2	0	0	0	0	112.1	E9	S7-E9 PolarHBondContact O-N 2.85Å
8	A	29.2	Very low	26.8	Very low	85 Å²	85	159.1 Å²	159.1	70%	0.702	84%	0.842	S	S	*	*			trans	-72.4	102.8	174.1	0	0	0	0	0	110.9	L6 H10	L6-A8 PolarHBondContact O-N 2.96Å; A8-H10 PolarHBondContact O-N 3.25Å; A8-H10 PolarHBondContact O-ND1 2.93Å
9	E	26	Very low	26.9	Very low	189 Å²	189	156.2 Å²	156.2	88%	0.883	83%	0.831	S	S	*	*			trans	-68.3	130	162.7	-75.4	-170.2	159.2	0	0	109.9	S7 D11	S7-E9 PolarHBondContact O-N 2.85Å; E9-D11 PolarHBondContact O-N 3.03Å
10	H	26.4	Very low	26.8	Very low	175 Å²	175	156.7 Å²	156.7	81%	0.81	83%	0.832	S	S	*	*			trans	-76.2	105.3	-172.6	-76.2	8.8	0	0	0	111.8	A8	A8-H10 PolarHBondContact O-N 3.25Å; A8-H10 PolarHBondContact O-ND1 2.93Å
11	D	30	Very low	26.8	Very low	166 Å²	166	154 Å²	154	89%	0.888	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-88.1	116.4	161.3	-92.1	-29.3	0	0	0	110.7	E9	E9-D11 PolarHBondContact O-N 3.03Å
12	R	25.9	Very low	27.2	Very low	227 Å²	227	151.1 Å²	151.1	86%	0.857	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-68.9	148.7	175.9	-78.6	-179.7	177.4	-179.4	-0.1	111	Q14	R12-Q14 PolarHBondContact O-N 3.26Å
13	P	29	Very low	27.5	Very low	127 Å²	127	146.9 Å²	146.9	83%	0.825	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-78.1	120.5	-169.9	26.3	-20.6	0	0	0	111.1
14	Q	30.6	Very low	27.7	Very low	189 Å²	189	149.8 Å²	149.8	88%	0.883	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-83.3	129.5	163	-72.4	-172.8	-8.3	0	0	109.5	R12	R12-Q14 PolarHBondContact O-N 3.26Å
15	T	29	Very low	28.1	Very low	138 Å²	138	148.4 Å²	148.4	85%	0.847	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-47.4	133.4	-177.8	34.6	0	0	0	0	114.3	S17	T15-S17 PolarHBondContact O-N 2.85Å
16	E	27.4	Very low	28.3	Very low	202 Å²	202	150.6 Å²	150.6	94%	0.944	77%	0.773	S	S	*	*			trans	-59.8	113	175.8	-68.1	177.1	153.4	0	0	111.8
17	S	27.5	Very low	28.4	Very low	93 Å²	93	149.2 Å²	149.2	65%	0.65	77%	0.767	S	S	*	*			trans	-106.1	121.5	154.6	63.5	0	0	0	0	108	T15 V19	T15-S17 PolarHBondContact O-N 2.85Å; S17-V19 VanDerWaalsContact C-N 3.27Å; S17-V19 PolarHBondContact O-N 3.16Å
18	T	24.5	Very low	28.7	Very low	154 Å²	154	151.2 Å²	151.2	95%	0.945	76%	0.761	S	S	*	*			trans	-60.1	84.1	172.3	11.3	0	0	0	0	110.1	L20	T18-L20 PolarHBondContact O-N 2.94Å
19	V	27.1	Very low	28.6	Very low	104 Å²	104	157 Å²	157	63%	0.63	77%	0.771	S	S	*	*			trans	-86.1	104.9	172.4	-179.8	0	0	0	0	107.8	S17 V21	S17-V19 VanDerWaalsContact C-N 3.27Å; S17-V19 PolarHBondContact O-N 3.16Å; V19-V21 PolarHBondContact O-N 3.32Å
20	L	25.5	Very low	29	Very low	165 Å²	165	152.2 Å²	152.2	86%	0.864	76%	0.756	S	S	*	*			trans	-54.6	103.4	158.6	-91.5	148.1	0	0	0	108	T18 K22	T18-L20 PolarHBondContact O-N 2.94Å; L20-K22 PolarHBondContact O-N 3.29Å
21	V	27.5	Very low	29.3	Very low	101 Å²	101	152.5 Å²	152.5	61%	0.612	76%	0.763	S	S	*	*			trans	-73	93.3	179.5	-179.3	0	0	0	0	108	V19 T23	V19-V21 PolarHBondContact O-N 3.32Å; V21-T23 PolarHBondContact O-N 2.86Å
22	K	26.4	Very low	29.3	Very low	175 Å²	175	151.2 Å²	151.2	76%	0.761	76%	0.755	S	S	*	*			trans	-62.8	133.9	166.7	-76.1	-175.1	175.4	-178.4	0	109.6	L20 R24	L20-K22 PolarHBondContact O-N 3.29Å; K22-R24 PolarHBondContact O-N 3.22Å
23	T	29.9	Very low	29.6	Very low	76 Å²	76	145.1 Å²	145.1	47%	0.466	75%	0.747	S	S	.	*			trans	-49.5	110.5	170.5	-18.7	0	0	0	0	108.6	V21 F210	V21-T23 PolarHBondContact O-N 2.86Å; T23-F210 HydrophobicContact CG2-CD1 4.4Å; T23-F210 HydrophobicContact CG2-CE1 4.16Å
24	R	30.5	Very low	29.9	Very low	215 Å²	215	148.2 Å²	148.2	81%	0.811	75%	0.751	S	S	*	*			trans	-119.2	109.3	179.6	-89.6	-174.4	174.6	176.1	-0.6	109.2	K22 R26	K22-R24 PolarHBondContact O-N 3.22Å; R24-R26 PolarHBondContact O-N 2.95Å
25	F	35.7	Very low	30	Very low	123 Å²	123	146.3 Å²	146.3	54%	0.539	75%	0.747	S	S	.	*			trans	-68.5	117.6	160.1	-60.3	-84.1	0	0	0	107.7
26	R	31.1	Very low	30.3	Very low	189 Å²	189	146.4 Å²	146.4	71%	0.713	74%	0.741	S	S	*	*			trans	-113	99.3	176.8	-168.2	176.4	177.7	176.7	-0.5	109	R24 K28	R24-R26 PolarHBondContact O-N 2.95Å; R26-K28 PolarHBondContact O-N 3.41Å; R26-K28 VanDerWaalsContact O-N 3.11Å
27	N	30.6	Very low	30.4	Very low	127 Å²	127	140.8 Å²	140.8	68%	0.679	72%	0.723	S	S	*	*			trans	-65.8	106.4	170.2	-70.9	4.2	0	0	0	109	N206	N27-N206 PolarHBondContact OD1-OD1 3.39Å
28	K	32.3	Very low	31.1	Very low	155 Å²	155	144.4 Å²	144.4	67%	0.674	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-86.2	120.2	157.9	-97.8	-176	173.2	-178.4	0	106.4	R26 P30	R26-K28 PolarHBondContact O-N 3.41Å; R26-K28 VanDerWaalsContact O-N 3.11Å; K28-P30 WeakPolarHBondContact O-CD 3.16Å
29	K	27.6	Very low	31.8	Very low	208 Å²	208	142.5 Å²	142.5	90%	0.904	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-71	116.9	165.8	-77.8	-176	173.7	-175.2	0	108.8
30	P	35.3	Very low	33	Very low	88 Å²	88	139.7 Å²	139.7	57%	0.571	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-98.4	130.8	163.1	12.2	10.6	0	0	0	108.5	K28 I32	K28-P30 WeakPolarHBondContact O-CD 3.16Å; P30-I32 HydrophobicContact CB-CD1 4.18Å; P30-I32 HydrophobicContact CB-CG1 4.19Å; P30-I32 PolarHBondContact O-N 3.21Å
31	N	31.3	Very low	34.6	Very low	180 Å²	180	135.1 Å²	135.1	96%	0.963	69%	0.689	S	S	*	*			trans	-71.6	71.5	165.4	-85.7	-14.9	0	0	0	109.4
32	I	30.5	Very low	37.1	Very low	140 Å²	140	134.9 Å²	134.9	72%	0.718	68%	0.684	S	S	*	*			trans	-118.7	117.1	169.1	-61.1	174	0	0	0	105.8	P30	P30-I32 HydrophobicContact CB-CD1 4.18Å; P30-I32 HydrophobicContact CB-CG1 4.19Å; P30-I32 PolarHBondContact O-N 3.21Å
33	S	32.1	Very low	39.7	Very low	99 Å²	99	127.7 Å²	127.7	69%	0.692	66%	0.655	S	S	*	*			trans	-12.1	124.5	178	49.8	0	0	0	0	116.4	D35	S33-D35 PolarHBondContact O-N 2.92Å
34	E	35.2	Very low	42.3	Very low	192 Å²	192	130.5 Å²	130.5	90%	0.897	66%	0.662	S	S	*	*	S	Bend	trans	-50	99.4	162.6	-71.3	173.1	148.3	0	0	110.3
35	D	32.9	Very low	45	Very low	149 Å²	149	126.4 Å²	126.4	80%	0.797	65%	0.651	S	S	*	*			trans	-169.7	73	152.8	-98.8	-18.4	0	0	0	108.5	S33	S33-D35 PolarHBondContact O-N 2.92Å
36	L	35.2	Very low	47.8	Very low	139 Å²	139	122.8 Å²	122.8	73%	0.728	64%	0.635	S	S	*	*			trans	-131.1	79.4	166.7	-99.2	129.7	0	0	0	108.1	L38	L36-L38 PolarHBondContact O-N 3.11Å
37	C	30.6	Very low	50.9	Low	84 Å²	84	114.3 Å²	114.3	57%	0.568	60%	0.603	S	S	*	*			trans	-56.2	120.1	167.2	-74.3	0	0	0	0	109.8	S39 S40	C37-S39 PolarHBondContact O-N 3.43Å; C37-S40 PolarHBondContact O-N 3.44Å; C37-S40 PolarHBondContact O-OG 3.14Å
38	L	41	Very low	54	Low	169 Å²	169	108.3 Å²	108.3	89%	0.885	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-3.8	-178.6	-76.1	157.3	0	0	0	115.1	L36	L36-L38 PolarHBondContact O-N 3.11Å
39	S	40.1	Very low	57.1	Low	114 Å²	114	101 Å²	101	80%	0.797	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	1.7	177.5	56.7	0	0	0	0	114.6	C37	C37-S39 PolarHBondContact O-N 3.43Å
40	S	51.7	Low	60.4	Low	46 Å²	46	91.1 Å²	91.1	32%	0.322	50%	0.496	S	S	.	.			trans	-110	7.3	-172.8	62.5	0	0	0	0	117.4	C37 L42	C37-S40 PolarHBondContact O-N 3.44Å; C37-S40 PolarHBondContact O-OG 3.14Å; S40-L42 PolarHBondContact O-N 3.19Å
41	N	60.2	Low	63.3	Low	69 Å²	69	88.2 Å²	88.2	37%	0.369	48%	0.475	S	S	.	.			trans	-77.1	50.3	-179.5	-72.5	-10.4	0	0	0	113.2	P43	N41-P43 WeakPolarHBondContact O-CD 3.4Å
42	L	79.4	Confident	66.3	Low	96 Å²	96	80.8 Å²	80.8	50%	0.503	44%	0.436	S	S	.	.			trans	-71.8	118.5	170.4	-67.9	172.1	0	0	0	108.3	S40 E44 K45	S40-L42 PolarHBondContact O-N 3.19Å; L42-E44 PolarHBondContact O-N 2.86Å; L42-E44 VanDerWaalsContact O-N 3.08Å; L42-K45 HydrophobicContact CB-CD 4.43Å; L42-K45 HydrophobicContact CB-CG 4.36Å; L42-K45 WeakPolarHBondContact O-CB 3.47Å; L42-K45 PolarHBondContact O-N 3.11Å
43	P	80.4	Confident	69.3	Low	23 Å²	23	76.1 Å²	76.1	15%	0.149	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-54.5	-32.2	-176.4	-27.6	36.3	0	0	0	113.3	N41 K45 F46 Y72 G73 Y74	N41-P43 WeakPolarHBondContact O-CD 3.4Å; P43-K45 PolarHBondContact O-N 3.31Å; P43-K45 VanDerWaalsContact O-N 3.1Å; P43-F46 PolarHBondContact O-N 2.86Å; P43-Y72 HydrophobicContact CB-CD1 3.97Å; P43-Y72 HydrophobicContact CB-CE1 4.18Å; P43-Y72 HydrophobicContact CG-CD1 3.69Å; P43-Y72 HydrophobicContact CG-CE1 3.47Å; P43-Y72 VanDerWaalsContact CG-CE1 3.47Å; P43-G73 CarbonylContact C-O 3.59Å; P43-Y74 HydrophobicContact CB-CD1 3.99Å; P43-Y74 HydrophobicContact CB-CD2 4.32Å; P43-Y74 HydrophobicContact CB-CE1 3.98Å; P43-Y74 HydrophobicContact CB-CE2 4.31Å; P43-Y74 HydrophobicContact CB-CG 4.17Å; P43-Y74 WeakPolarHBondContact O-CD1 3.4Å
44	E	84.2	Confident	72.1	Confident	135 Å²	135	73.8 Å²	73.8	63%	0.631	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-58	-24.1	179.8	-58.8	175.1	-166.9	0	0	114.1	L42 F46 G73 R75	L42-E44 PolarHBondContact O-N 2.86Å; L42-E44 VanDerWaalsContact O-N 3.08Å; E44-F46 VanDerWaalsContact C-N 3.34Å; E44-G73 WeakPolarHBondContact CA-O 3.49Å; E44-G73 WeakPolarHBondContact CG-O 3.36Å; E44-G73 PolarHBondContact N-O 2.64Å; E44-G73 VanDerWaalsContact N-O 3.13Å; E44-R75 WeakPolarHBondContact O-CD 3.39Å
45	K	88.6	Confident	74.8	Confident	130 Å²	130	67.4 Å²	67.4	57%	0.565	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-77.1	-22.9	177.8	-67.1	-177.6	178.2	175.6	0	112.8	L42 P43	L42-K45 HydrophobicContact CB-CD 4.43Å; L42-K45 HydrophobicContact CB-CG 4.36Å; L42-K45 WeakPolarHBondContact O-CB 3.47Å; L42-K45 PolarHBondContact O-N 3.11Å; P43-K45 PolarHBondContact O-N 3.31Å; P43-K45 VanDerWaalsContact O-N 3.1Å
46	F	93.5	Very high	77.7	Confident	47 Å²	47	61.5 Å²	61.5	21%	0.206	35%	0.349	C	S	.	.			trans	-97.5	137.3	-175.5	-62.9	-77.5	0	0	0	111	P43 E44 Y74 R75 D134 L203	P43-F46 PolarHBondContact O-N 2.86Å; E44-F46 VanDerWaalsContact C-N 3.34Å; F46-Y74 HydrophobicContact CB-CD1 3.93Å; F46-Y74 HydrophobicContact CB-CE1 3.99Å; F46-Y74 HydrophobicContact CD2-CE1 4.42Å; F46-R75 PolarHBondContact O-N 2.82Å; F46-D134 WeakPolarHBondContact CA-OD2 3.12Å; F46-D134 HydrophobicContact CD1-CB 4.06Å; F46-L203 HydrophobicContact CB-CD1 4.04Å; F46-L203 HydrophobicContact CD1-CD1 4.07Å; F46-L203 HydrophobicContact CD1-CD2 3.56Å; F46-L203 HydrophobicContact CD1-CG 4.44Å; F46-L203 HydrophobicContact CD2-CD1 4.05Å; F46-L203 HydrophobicContact CE1-CD2 3.9Å; F46-L203 HydrophobicContact CG-CD1 3.78Å; F46-L203 HydrophobicContact CG-CD2 4.12Å
47	H	95.6	Very high	80.4	Confident	11 Å²	11	55.4 Å²	55.4	5%	0.051	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.4	177	-178.5	-145.6	0	0	0	110.5	R75 T77 A129 A133 D134 V135	H47-R75 CarbonylContact C-O 3.59Å; H47-R75 WeakPolarHBondContact CA-O 3.5Å; H47-R75 PolarHBondContact CD2-O 3.47Å; H47-T77 PolarHBondContact NE2-OG1 3.02Å; H47-A129 PolarHBondContact CE1-O 2.78Å; H47-A133 CarbonylContact O-C 3.54Å; H47-D134 PolarHBondContact N-OD2 3.18Å; H47-D134 PolarHBondContact O-N 2.97Å; H47-V135 PolarHBondContact O-N 3.38Å
48	V	96.8	Very high	83.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.1	176.2	-174.1	0	0	0	0	109.3	V50 L69 Y74 R75 V76 T77 V135 V137 V199	V48-V50 HydrophobicContact CG1-CG2 4.2Å; V48-L69 HydrophobicContact CG1-CD1 4.05Å; V48-Y74 HydrophobicContact CG2-CD1 4.12Å; V48-Y74 HydrophobicContact CG2-CG 4.16Å; V48-R75 PolarHBondContact N-O 3.49Å; V48-V76 HydrophobicContact CB-CG1 4.48Å; V48-V76 HydrophobicContact CB-CG2 4.33Å; V48-V76 CarbonylContact O-C 3.59Å; V48-V76 VanDerWaalsContact O-CA 3.31Å; V48-V76 WeakPolarHBondContact O-CA 3.34Å; V48-T77 PolarHBondContact O-N 3.36Å; V48-V135 WeakPolarHBondContact CA-O 3.41Å; V48-V137 HydrophobicContact CG1-CB 4.39Å; V48-V137 HydrophobicContact CG1-CG2 3.57Å; V48-V199 HydrophobicContact CG2-CG1 4.07Å
49	F	96.7	Very high	86	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.8	170.8	-179	-101.6	0	0	0	109.6	Q51 T77 D79 K130 A133 V135 W136 V137	F49-Q51 HydrophobicContact CD1-CB 4.4Å; F49-Q51 HydrophobicContact CE1-CB 3.76Å; F49-Q51 HydrophobicContact CE1-CG 4.44Å; F49-Q51 HydrophobicContact CZ-CB 4.43Å; F49-T77 WeakPolarHBondContact CA-O 3.26Å; F49-T77 HydrophobicContact CD2-CG2 4.23Å; F49-T77 HydrophobicContact CE2-CG2 4.35Å; F49-D79 HydrophobicContact CE1-CB 4.43Å; F49-D79 HydrophobicContact CE2-CB 4.17Å; F49-D79 HydrophobicContact CZ-CB 3.69Å; F49-K130 HydrophobicContact CD1-CB 3.98Å; F49-K130 HydrophobicContact CD1-CD 4.23Å; F49-K130 HydrophobicContact CD1-CG 3.74Å; F49-K130 HydrophobicContact CD2-CB 3.97Å; F49-K130 HydrophobicContact CE1-CB 3.82Å; F49-K130 HydrophobicContact CE1-CD 3.63Å; F49-K130 HydrophobicContact CE1-CG 3.61Å; F49-K130 HydrophobicContact CE2-CB 3.82Å; F49-K130 HydrophobicContact CG-CB 4.04Å; F49-K130 HydrophobicContact CG-CG 4.24Å; F49-K130 HydrophobicContact CZ-CB 3.74Å; F49-K130 HydrophobicContact CZ-CD 4.04Å; F49-K130 HydrophobicContact CZ-CG 4.04Å; F49-A133 HydrophobicContact CB-CB 3.53Å; F49-V135 PolarHBondContact N-O 3.48Å; F49-W136 CarbonylContact O-C 3.58Å; F49-W136 WeakPolarHBondContact O-CA 3.32Å; F49-V137 PolarHBondContact O-N 2.7Å
50	V	96.9	Very high	88.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.2	179.5	-175.6	0	0	0	0	108.9	V48 V76 T77 L78 D79 V137	V48-V50 HydrophobicContact CG1-CG2 4.2Å; V50-V76 HydrophobicContact CG2-CG1 3.58Å; V50-T77 PolarHBondContact N-O 2.82Å; V50-L78 HydrophobicContact CB-CD1 3.76Å; V50-L78 HydrophobicContact CG1-CD1 3.59Å; V50-D79 WeakPolarHBondContact O-CB 3.43Å; V50-D79 PolarHBondContact O-N 3.42Å; V50-V137 CarbonylContact C-O 3.6Å; V50-V137 VanDerWaalsContact CA-O 3.32Å; V50-V137 WeakPolarHBondContact CA-O 3.28Å; V50-V137 HydrophobicContact CG1-CG1 4.46Å; V50-V137 HydrophobicContact CG2-CB 4.13Å
51	Q	95.6	Very high	90.6	Very high	28 Å²	28	37.7 Å²	37.7	13%	0.131	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139	175.6	-171.1	167.7	24.9	0	0	110.4	F49 W53 D79 V137 L138 N139	F49-Q51 HydrophobicContact CD1-CB 4.4Å; F49-Q51 HydrophobicContact CE1-CB 3.76Å; F49-Q51 HydrophobicContact CE1-CG 4.44Å; F49-Q51 HydrophobicContact CZ-CB 4.43Å; Q51-W53 HydrophobicContact CB-CH2 3.97Å; Q51-W53 HydrophobicContact CB-CZ3 4.18Å; Q51-W53 VanDerWaalsContact CD-CH2 3.46Å; Q51-W53 HydrophobicContact CG-CH2 3.51Å; Q51-W53 HydrophobicContact CG-CZ2 3.67Å; Q51-W53 HydrophobicContact CG-CZ3 3.96Å; Q51-D79 HydrophobicContact CB-CB 4.14Å; Q51-D79 HydrophobicContact CG-CB 3.96Å; Q51-D79 WeakPolarHBondContact CG-OD2 3.21Å; Q51-D79 PolarHBondContact NE2-OD2 2.93Å; Q51-V137 PolarHBondContact N-O 2.77Å; Q51-L138 HydrophobicContact CB-CD2 3.94Å; Q51-L138 CarbonylContact O-C 3.58Å; Q51-N139 PolarHBondContact O-N 2.81Å
52	T	95.3	Very high	92.3	Very high	24 Å²	24	34.4 Å²	34.4	15%	0.147	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.2	-169.9	-49.6	0	0	0	0	111	N58 S62 N139	T52-N58 HydrophobicContact CG2-CB 3.96Å; T52-N58 WeakPolarHBondContact CG2-O 3.49Å; T52-S62 WeakPolarHBondContact CB-OG 3.22Å; T52-S62 WeakPolarHBondContact CG2-OG 3.37Å; T52-S62 WeakPolarHBondContact OG1-CB 3.43Å; T52-S62 PolarHBondContact OG1-OG 2.94Å; T52-N139 WeakPolarHBondContact CA-O 3.46Å; T52-N139 HydrophobicContact CG2-CB 4.19Å
53	W	93.7	Very high	93.1	Very high	41 Å²	41	30 Å²	30	16%	0.155	17%	0.166	C	C	.	.			trans	-120	143	168.3	-60.6	-92.5	0	0	0	109.4	Q51 L138 N139 C141 F151 A154	Q51-W53 HydrophobicContact CB-CH2 3.97Å; Q51-W53 HydrophobicContact CB-CZ3 4.18Å; Q51-W53 VanDerWaalsContact CD-CH2 3.46Å; Q51-W53 HydrophobicContact CG-CH2 3.51Å; Q51-W53 HydrophobicContact CG-CZ2 3.67Å; Q51-W53 HydrophobicContact CG-CZ3 3.96Å; W53-L138 HydrophobicContact CH2-CD2 4.07Å; W53-L138 HydrophobicContact CZ3-CB 4.05Å; W53-L138 HydrophobicContact CZ3-CD2 4.2Å; W53-N139 PolarHBondContact N-O 3.5Å; W53-C141 WeakPolarHBondContact O-CB 3.17Å; W53-C141 PolarHBondContact O-N 3.1Å; W53-F151 HydrophobicContact CD2-CB 4.34Å; W53-F151 HydrophobicContact CE3-CB 4.02Å; W53-F151 HydrophobicContact CE3-CD2 4.15Å; W53-F151 HydrophobicContact CZ3-CB 4.34Å; W53-F151 AromaticContact CZ3-CD2 3.94Å; W53-F151 HydrophobicContact CZ3-CD2 3.94Å; W53-A154 HydrophobicContact CH2-CB 3.54Å; W53-A154 HydrophobicContact CZ2-CB 3.93Å
54	G	90.9	Very high	93.8	Very high	50 Å²	50	29.3 Å²	29.3	52%	0.515	16%	0.16	S	C	.	.	S	Bend	trans	130	-148.1	172.3	0	0	0	0	0	115
55	C	91.5	Very high	94.4	Very high	59 Å²	59	22.9 Å²	22.9	40%	0.399	13%	0.13	S	C	.	.	S	Bend	trans	-92.3	179.9	-177.5	66.5	0	0	0	0	112	H57 N58 T59	C55-H57 PolarHBondContact O-N 3.24Å; C55-N58 PolarHBondContact N-OD1 3.26Å; C55-N58 WeakPolarHBondContact O-CB 3.42Å; C55-N58 PolarHBondContact O-N 2.99Å; C55-T59 PolarHBondContact O-N 2.85Å; C55-T59 VanDerWaalsContact O-N 3.12Å; C55-T59 PolarHBondContact O-OG1 2.87Å
56	A	93.1	Very high	94.8	Very high	25 Å²	25	16.7 Å²	16.7	21%	0.207	10%	0.103	C	C	.	.	H	α-helix	trans	-53.3	-36.7	175.5	0	0	0	0	0	112.6	N58 T59 S60 I250 W297 T299	A56-N58 PolarHBondContact O-N 3.25Å; A56-T59 WeakPolarHBondContact O-CB 3.36Å; A56-T59 PolarHBondContact O-N 3.43Å; A56-T59 VanDerWaalsContact O-N 3.17Å; A56-S60 PolarHBondContact O-N 3.46Å; A56-I250 HydrophobicContact CB-CD1 4.29Å; A56-I250 HydrophobicContact CB-CG2 3.81Å; A56-I250 WeakPolarHBondContact O-CG2 3.38Å; A56-W297 HydrophobicContact CB-CE3 4.39Å; A56-T299 HydrophobicContact CB-CG2 4.48Å
57	H	92.2	Very high	94.9	Very high	11 Å²	11	14.6 Å²	14.6	5%	0.051	10%	0.095	C	C	.	.	H	α-helix	trans	-61.4	-44.2	176.2	-154.1	159.3	0	0	0	112	C55 T59 S60 D61 S254 R270 T299 E301	C55-H57 PolarHBondContact O-N 3.24Å; H57-T59 VanDerWaalsContact C-N 3.3Å; H57-T59 PolarHBondContact O-N 2.72Å; H57-S60 PolarHBondContact O-N 3.4Å; H57-D61 IonicContact CD2-OD1 2.72Å; H57-D61 IonicContact NE2-OD1 3.74Å; H57-D61 PolarHBondContact O-N 2.99Å; H57-S254 PolarHBondContact CE1-O 3.18Å; H57-R270 PolarHBondContact CD2-NH1 3.27Å; H57-R270 PolarHBondContact CE1-NH1 3.14Å; H57-R270 VanDerWaalsContact CE1-NH1 3.27Å; H57-R270 PolarHBondContact NE2-NH1 3.49Å; H57-R270 VanDerWaalsContact NE2-NH1 3.18Å; H57-T299 HydrophobicContact CB-CG2 4.43Å; H57-E301 IonicContact CE1-OE1 3.99Å; H57-E301 IonicContact CE1-OE2 3.66Å; H57-E301 IonicContact CG-OE1 3.11Å; H57-E301 IonicContact ND1-OE1 3.82Å; H57-E301 PolarHBondContact ND1-OE1 3.41Å; H57-E301 IonicContact ND1-OE2 3.61Å
58	N	93.9	Very high	95	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-63.3	-37.6	175	-66.1	112.2	0	0	0	111.8	T52 C55 A56 D61 S62 N139 S140 C170	T52-N58 HydrophobicContact CG2-CB 3.96Å; T52-N58 WeakPolarHBondContact CG2-O 3.49Å; C55-N58 PolarHBondContact N-OD1 3.26Å; C55-N58 WeakPolarHBondContact O-CB 3.42Å; C55-N58 PolarHBondContact O-N 2.99Å; A56-N58 PolarHBondContact O-N 3.25Å; N58-D61 PolarHBondContact O-N 3.4Å; N58-S62 PolarHBondContact O-N 3.4Å; N58-S62 VanDerWaalsContact O-N 3.15Å; N58-S62 PolarHBondContact O-OG 3.01Å; N58-N139 PolarHBondContact O-ND2 3.01Å; N58-S140 PolarHBondContact ND2-O 2.86Å; N58-C170 PolarHBondContact ND2-SG 2.93Å
59	T	94.9	Very high	95	Very high	30 Å²	30	15.2 Å²	15.2	18%	0.184	10%	0.098	C	C	.	.	H	α-helix	trans	-61.4	-50.8	173.7	-56	0	0	0	0	110.5	C55 A56 H57 D61 S62 E63 I250	C55-T59 PolarHBondContact O-N 2.85Å; C55-T59 VanDerWaalsContact O-N 3.12Å; C55-T59 PolarHBondContact O-OG1 2.87Å; A56-T59 WeakPolarHBondContact O-CB 3.36Å; A56-T59 PolarHBondContact O-N 3.43Å; A56-T59 VanDerWaalsContact O-N 3.17Å; H57-T59 VanDerWaalsContact C-N 3.3Å; H57-T59 PolarHBondContact O-N 2.72Å; T59-D61 VanDerWaalsContact C-N 3.31Å; T59-D61 PolarHBondContact O-N 2.97Å; T59-S62 WeakPolarHBondContact O-CA 3.44Å; T59-S62 WeakPolarHBondContact O-CB 3.28Å; T59-S62 PolarHBondContact O-N 3.21Å; T59-E63 HydrophobicContact CG2-CG 4.39Å; T59-E63 WeakPolarHBondContact O-CG 3.38Å; T59-E63 PolarHBondContact O-N 3.18Å; T59-I250 HydrophobicContact CG2-CD1 3.65Å
60	S	94.9	Very high	94.9	Very high	2 Å²	2	18 Å²	18	1%	0.014	12%	0.116	C	C	.	.	H	α-helix	trans	-55.1	-44.4	176.6	-179.4	0	0	0	0	112.3	A56 H57 S62 E63 Y64 K241 I250	A56-S60 PolarHBondContact O-N 3.46Å; H57-S60 PolarHBondContact O-N 3.4Å; S60-S62 PolarHBondContact O-N 2.94Å; S60-E63 WeakPolarHBondContact O-CB 3.36Å; S60-E63 PolarHBondContact O-N 3.3Å; S60-E63 VanDerWaalsContact O-N 3.16Å; S60-Y64 VanDerWaalsContact O-CD2 3.25Å; S60-Y64 WeakPolarHBondContact O-CD2 3.42Å; S60-Y64 PolarHBondContact O-N 2.64Å; S60-K241 PolarHBondContact OG-NZ 2.97Å; S60-I250 PolarHBondContact OG-O 3.45Å
61	D	94.7	Very high	94.9	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.037	15%	0.149	C	C	.	.	H	α-helix	trans	-56.5	-39.9	175.8	-65.4	-21.4	0	0	0	111.4	H57 N58 T59 M65 I192 R270	H57-D61 IonicContact CD2-OD1 2.72Å; H57-D61 IonicContact NE2-OD1 3.74Å; H57-D61 PolarHBondContact O-N 2.99Å; N58-D61 PolarHBondContact O-N 3.4Å; T59-D61 VanDerWaalsContact C-N 3.31Å; T59-D61 PolarHBondContact O-N 2.97Å; D61-M65 WeakPolarHBondContact O-CG 3.28Å; D61-M65 PolarHBondContact O-N 3.46Å; D61-I192 HydrophobicContact CB-CD1 3.55Å; D61-I192 VanDerWaalsContact CG-CD1 3.47Å; D61-I192 VanDerWaalsContact OD1-CD1 3.28Å; D61-I192 WeakPolarHBondContact OD1-CD1 3.42Å; D61-R270 IonicContact OD2-CZ 3.31Å; D61-R270 IonicContact OD2-NH1 2.62Å; D61-R270 IonicContact OD2-NH2 3.15Å; D61-R270 PolarHBondContact OD2-NH2 2.78Å
62	S	95.5	Very high	94.9	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-73.3	-34.2	179.8	-44.8	0	0	0	0	112.6	T52 N58 T59 S60 M65 T66 N139	T52-S62 WeakPolarHBondContact CB-OG 3.22Å; T52-S62 WeakPolarHBondContact CG2-OG 3.37Å; T52-S62 WeakPolarHBondContact OG1-CB 3.43Å; T52-S62 PolarHBondContact OG1-OG 2.94Å; N58-S62 PolarHBondContact O-N 3.4Å; N58-S62 VanDerWaalsContact O-N 3.15Å; N58-S62 PolarHBondContact O-OG 3.01Å; T59-S62 WeakPolarHBondContact O-CA 3.44Å; T59-S62 WeakPolarHBondContact O-CB 3.28Å; T59-S62 PolarHBondContact O-N 3.21Å; S60-S62 PolarHBondContact O-N 2.94Å; S62-M65 PolarHBondContact O-N 3.31Å; S62-T66 VanDerWaalsContact O-CB 3.25Å; S62-T66 WeakPolarHBondContact O-CB 3.25Å; S62-T66 PolarHBondContact O-N 3.24Å; S62-T66 PolarHBondContact O-OG1 2.82Å; S62-N139 PolarHBondContact OG-ND2 2.94Å
63	E	95.7	Very high	94.9	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.019	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-40.6	175.1	-66.5	178.8	153.9	0	0	111.2	T59 S60 G67 K241 I242 R243 R244	T59-E63 HydrophobicContact CG2-CG 4.39Å; T59-E63 WeakPolarHBondContact O-CG 3.38Å; T59-E63 PolarHBondContact O-N 3.18Å; S60-E63 WeakPolarHBondContact O-CB 3.36Å; S60-E63 PolarHBondContact O-N 3.3Å; S60-E63 VanDerWaalsContact O-N 3.16Å; E63-G67 PolarHBondContact O-N 2.84Å; E63-K241 HydrophobicContact CB-CD 4.28Å; E63-K241 HydrophobicContact CB-CG 3.62Å; E63-K241 WeakPolarHBondContact OE2-CE 3.39Å; E63-K241 IonicContact OE2-NZ 3.76Å; E63-I242 WeakPolarHBondContact CA-O 3.47Å; E63-I242 WeakPolarHBondContact CB-O 3.4Å; E63-I242 VanDerWaalsContact CG-O 3.3Å; E63-I242 WeakPolarHBondContact CG-O 3.45Å; E63-I242 PolarHBondContact O-N 2.58Å; E63-R243 WeakPolarHBondContact OE1-CA 3.36Å; E63-R244 PolarHBondContact OE1-N 2.94Å
64	Y	96	Very high	95	Very high	7 Å²	7	28.1 Å²	28.1	3%	0.027	16%	0.163	C	C	.	.	H	α-helix	trans	-66.3	-47.5	172	-79.3	-66.5	0	0	0	111.8	S60 T66 G67 L68 I235 L237 L239 K241	S60-Y64 VanDerWaalsContact O-CD2 3.25Å; S60-Y64 WeakPolarHBondContact O-CD2 3.42Å; S60-Y64 PolarHBondContact O-N 2.64Å; Y64-T66 VanDerWaalsContact C-N 3.28Å; Y64-T66 PolarHBondContact O-N 3.34Å; Y64-G67 PolarHBondContact O-N 3.06Å; Y64-L68 WeakPolarHBondContact O-CG 3.36Å; Y64-L68 PolarHBondContact O-N 2.97Å; Y64-I235 HydrophobicContact CD2-CD1 3.86Å; Y64-I235 HydrophobicContact CG-CD1 3.86Å; Y64-L237 PolarHBondContact OH-O 3.42Å; Y64-L237 VanDerWaalsContact OH-O 3.09Å; Y64-L239 HydrophobicContact CD1-CB 4.02Å; Y64-L239 HydrophobicContact CE1-CB 4.21Å; Y64-L239 WeakPolarHBondContact CE1-O 3.36Å; Y64-K241 HydrophobicContact CD1-CB 3.93Å; Y64-K241 HydrophobicContact CD1-CD 4.31Å; Y64-K241 HydrophobicContact CD1-CG 4.16Å; Y64-K241 HydrophobicContact CD2-CD 4.32Å; Y64-K241 HydrophobicContact CE1-CB 3.96Å; Y64-K241 HydrophobicContact CE1-CD 3.99Å; Y64-K241 HydrophobicContact CE1-CG 4.26Å; Y64-K241 HydrophobicContact CE2-CD 3.98Å; Y64-K241 HydrophobicContact CG-CD 4.47Å; Y64-K241 HydrophobicContact CG-CG 4.34Å
65	M	96.3	Very high	95.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-57.8	-43.6	176.9	-76.4	-171.8	-67.3	0	0	111.7	D61 S62 L68 L69 V137 N139 A168 I192 I195	D61-M65 WeakPolarHBondContact O-CG 3.28Å; D61-M65 PolarHBondContact O-N 3.46Å; S62-M65 PolarHBondContact O-N 3.31Å; M65-L68 PolarHBondContact O-N 3.1Å; M65-L69 VanDerWaalsContact O-CG 3.26Å; M65-L69 WeakPolarHBondContact O-CG 3.38Å; M65-L69 PolarHBondContact O-N 3.06Å; M65-V137 HydrophobicContact CE-CG1 4.44Å; M65-V137 HydrophobicContact SD-CG1 4.31Å; M65-N139 HydrophobicContact CE-CB 3.92Å; M65-A168 HydrophobicContact CE-CB 4.05Å; M65-A168 HydrophobicContact SD-CB 4.08Å; M65-I192 HydrophobicContact CG-CB 3.98Å; M65-I192 HydrophobicContact CG-CG2 4.43Å; M65-I192 HydrophobicContact SD-CB 4.09Å; M65-I192 HydrophobicContact SD-CG2 3.9Å; M65-I195 HydrophobicContact CB-CB 4.28Å; M65-I195 HydrophobicContact CB-CG1 4.13Å; M65-I195 HydrophobicContact CB-CG2 4.04Å; M65-I195 HydrophobicContact CG-CB 3.91Å; M65-I195 HydrophobicContact CG-CG1 4.05Å; M65-I195 HydrophobicContact CG-CG2 4.03Å; M65-I195 HydrophobicContact SD-CB 4.27Å; M65-I195 HydrophobicContact SD-CD1 3.92Å; M65-I195 HydrophobicContact SD-CG1 4.02Å
66	T	96.6	Very high	95.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-45.2	176.7	-59.7	0	0	0	0	111.2	S62 Y64 L68 L69 V70 V76 I242	S62-T66 VanDerWaalsContact O-CB 3.25Å; S62-T66 WeakPolarHBondContact O-CB 3.25Å; S62-T66 PolarHBondContact O-N 3.24Å; S62-T66 PolarHBondContact O-OG1 2.82Å; Y64-T66 VanDerWaalsContact C-N 3.28Å; Y64-T66 PolarHBondContact O-N 3.34Å; T66-L68 VanDerWaalsContact C-N 3.33Å; T66-L68 PolarHBondContact O-N 3.44Å; T66-L69 PolarHBondContact O-N 3.5Å; T66-V70 HydrophobicContact CG2-CG2 4.24Å; T66-V70 WeakPolarHBondContact O-CB 3.14Å; T66-V70 WeakPolarHBondContact O-CG2 3.39Å; T66-V70 PolarHBondContact O-N 3.36Å; T66-V76 HydrophobicContact CG2-CB 4.17Å; T66-V76 HydrophobicContact CG2-CG1 3.8Å; T66-I242 HydrophobicContact CG2-CB 3.84Å; T66-I242 HydrophobicContact CG2-CG1 4.33Å; T66-I242 HydrophobicContact CG2-CG2 4.01Å
67	G	96.2	Very high	95.3	Very high	3 Å²	3	30 Å²	30	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-61.3	-39.8	178.2	0	0	0	0	0	113.4	E63 Y64 K71	E63-G67 PolarHBondContact O-N 2.84Å; Y64-G67 PolarHBondContact O-N 3.06Å; G67-K71 VanDerWaalsContact O-CB 3.27Å; G67-K71 WeakPolarHBondContact O-CB 3.32Å; G67-K71 PolarHBondContact O-N 3.17Å
68	L	96.9	Very high	95.1	Very high	23 Å²	23	29.6 Å²	29.6	12%	0.12	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-44.1	175.4	-68.8	168.7	0	0	0	112.2	Y64 M65 T66 K71 Y72 D193 I195 V196 L239 P240	Y64-L68 WeakPolarHBondContact O-CG 3.36Å; Y64-L68 PolarHBondContact O-N 2.97Å; M65-L68 PolarHBondContact O-N 3.1Å; T66-L68 VanDerWaalsContact C-N 3.33Å; T66-L68 PolarHBondContact O-N 3.44Å; L68-K71 PolarHBondContact O-N 2.82Å; L68-Y72 WeakPolarHBondContact O-CB 3.21Å; L68-Y72 PolarHBondContact O-N 2.95Å; L68-D193 HydrophobicContact CD1-CB 4.49Å; L68-I195 HydrophobicContact CB-CG2 4.02Å; L68-I195 HydrophobicContact CD1-CG2 4.18Å; L68-V196 HydrophobicContact CB-CG2 4.14Å; L68-L239 HydrophobicContact CD1-CD1 4.1Å; L68-L239 HydrophobicContact CD2-CD1 4.07Å; L68-P240 HydrophobicContact CD2-CG 4.37Å
69	L	97.3	Very high	94.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.9	-45.1	177.8	-71.4	167.5	0	0	0	112.1	V48 M65 T66 Y72 G73 Y74 V76 I195 V196 V199	V48-L69 HydrophobicContact CG1-CD1 4.05Å; M65-L69 VanDerWaalsContact O-CG 3.26Å; M65-L69 WeakPolarHBondContact O-CG 3.38Å; M65-L69 PolarHBondContact O-N 3.06Å; T66-L69 PolarHBondContact O-N 3.5Å; L69-Y72 PolarHBondContact O-N 3.08Å; L69-G73 PolarHBondContact O-N 3.13Å; L69-G73 VanDerWaalsContact O-N 3.16Å; L69-Y74 HydrophobicContact CB-CD2 4.3Å; L69-Y74 HydrophobicContact CD2-CD2 3.66Å; L69-Y74 HydrophobicContact CD2-CE2 4.04Å; L69-Y74 HydrophobicContact CD2-CG 4.42Å; L69-Y74 PolarHBondContact O-N 3.33Å; L69-V76 HydrophobicContact CB-CG2 3.76Å; L69-I195 HydrophobicContact CD1-CG1 4.04Å; L69-I195 HydrophobicContact CD2-CG1 4.36Å; L69-I195 HydrophobicContact CD2-CG2 4.48Å; L69-I195 HydrophobicContact CG-CG1 4.27Å; L69-I195 HydrophobicContact CG-CG2 4.13Å; L69-V196 HydrophobicContact CD2-CG2 4.26Å; L69-V199 HydrophobicContact CD2-CB 4.03Å; L69-V199 HydrophobicContact CD2-CG1 4.24Å; L69-V199 HydrophobicContact CD2-CG2 3.85Å
70	V	96.1	Very high	93.1	Very high	62 Å²	62	31.9 Å²	31.9	38%	0.376	16%	0.164	S	C	.	.	H	α-helix	trans	-64.9	-44.4	177.5	171.1	0	0	0	0	110.8	T66 Y72 G73 V76	T66-V70 HydrophobicContact CG2-CG2 4.24Å; T66-V70 WeakPolarHBondContact O-CB 3.14Å; T66-V70 WeakPolarHBondContact O-CG2 3.39Å; T66-V70 PolarHBondContact O-N 3.36Å; V70-Y72 PolarHBondContact O-N 3.13Å; V70-G73 WeakPolarHBondContact O-CA 3.48Å; V70-G73 PolarHBondContact O-N 2.83Å; V70-V76 HydrophobicContact CG2-CB 3.97Å; V70-V76 HydrophobicContact CG2-CG2 3.69Å
71	K	95.3	Very high	91.1	Very high	160 Å²	160	32.4 Å²	32.4	70%	0.696	17%	0.168	S	C	*	.	H	α-helix	trans	-59.8	-34.4	176.4	179.8	176.1	178.2	-178.9	0	112.3	G67 L68 G73 P240	G67-K71 VanDerWaalsContact O-CB 3.27Å; G67-K71 WeakPolarHBondContact O-CB 3.32Å; G67-K71 PolarHBondContact O-N 3.17Å; L68-K71 PolarHBondContact O-N 2.82Å; K71-G73 VanDerWaalsContact C-N 3.29Å; K71-P240 HydrophobicContact CB-CB 4.44Å; K71-P240 HydrophobicContact CB-CG 4.29Å; K71-P240 HydrophobicContact CD-CB 4.22Å; K71-P240 HydrophobicContact CD-CG 3.3Å; K71-P240 HydrophobicContact CG-CG 4.4Å
72	Y	95.4	Very high	88.2	Confident	107 Å²	107	40.4 Å²	40.4	42%	0.42	21%	0.205	S	C	.	.	H	α-helix	trans	-74.7	-20.1	176.6	-168.2	-97.3	0	0	0	113.1	P43 L68 L69 V70 Y74 V196 E200	P43-Y72 HydrophobicContact CB-CD1 3.97Å; P43-Y72 HydrophobicContact CB-CE1 4.18Å; P43-Y72 HydrophobicContact CG-CD1 3.69Å; P43-Y72 HydrophobicContact CG-CE1 3.47Å; P43-Y72 VanDerWaalsContact CG-CE1 3.47Å; L68-Y72 WeakPolarHBondContact O-CB 3.21Å; L68-Y72 PolarHBondContact O-N 2.95Å; L69-Y72 PolarHBondContact O-N 3.08Å; V70-Y72 PolarHBondContact O-N 3.13Å; Y72-Y74 AromaticContact CD1-CD2 3.92Å; Y72-Y74 HydrophobicContact CD1-CD2 3.92Å; Y72-Y74 AromaticContact CD1-CE2 3.46Å; Y72-Y74 HydrophobicContact CD1-CE2 3.46Å; Y72-Y74 VanDerWaalsContact CD1-CE2 3.46Å; Y72-Y74 AromaticContact CE1-CE2 3.98Å; Y72-Y74 HydrophobicContact CE1-CE2 3.98Å; Y72-Y74 HydrophobicContact CG-CE2 4.42Å; Y72-V196 HydrophobicContact CD1-CG1 3.69Å; Y72-V196 HydrophobicContact CD2-CG1 3.53Å; Y72-V196 HydrophobicContact CE1-CG1 3.94Å; Y72-V196 HydrophobicContact CE2-CG1 3.78Å; Y72-V196 HydrophobicContact CG-CG1 3.46Å; Y72-V196 VanDerWaalsContact CG-CG1 3.46Å; Y72-V196 HydrophobicContact CG-CG2 4.42Å; Y72-E200 PolarHBondContact OH-OE2 2.96Å
73	G	95.2	Very high	85.2	Confident	25 Å²	25	43.3 Å²	43.3	26%	0.258	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	116.4	3.3	174.1	0	0	0	0	0	115	P43 E44 L69 V70 K71	P43-G73 CarbonylContact C-O 3.59Å; E44-G73 WeakPolarHBondContact CA-O 3.49Å; E44-G73 WeakPolarHBondContact CG-O 3.36Å; E44-G73 PolarHBondContact N-O 2.64Å; E44-G73 VanDerWaalsContact N-O 3.13Å; L69-G73 PolarHBondContact O-N 3.13Å; L69-G73 VanDerWaalsContact O-N 3.16Å; V70-G73 WeakPolarHBondContact O-CA 3.48Å; V70-G73 PolarHBondContact O-N 2.83Å; K71-G73 VanDerWaalsContact C-N 3.29Å
74	Y	95.7	Very high	81.9	Confident	13 Å²	13	48 Å²	48	5%	0.051	25%	0.249	C	C	.	.			trans	-70.1	143.1	176	-70.2	-73.3	0	0	0	111.4	P43 F46 V48 L69 Y72 V76 V196 V199 L203	P43-Y74 HydrophobicContact CB-CD1 3.99Å; P43-Y74 HydrophobicContact CB-CD2 4.32Å; P43-Y74 HydrophobicContact CB-CE1 3.98Å; P43-Y74 HydrophobicContact CB-CE2 4.31Å; P43-Y74 HydrophobicContact CB-CG 4.17Å; P43-Y74 WeakPolarHBondContact O-CD1 3.4Å; F46-Y74 HydrophobicContact CB-CD1 3.93Å; F46-Y74 HydrophobicContact CB-CE1 3.99Å; F46-Y74 HydrophobicContact CD2-CE1 4.42Å; V48-Y74 HydrophobicContact CG2-CD1 4.12Å; V48-Y74 HydrophobicContact CG2-CG 4.16Å; L69-Y74 HydrophobicContact CB-CD2 4.3Å; L69-Y74 HydrophobicContact CD2-CD2 3.66Å; L69-Y74 HydrophobicContact CD2-CE2 4.04Å; L69-Y74 HydrophobicContact CD2-CG 4.42Å; L69-Y74 PolarHBondContact O-N 3.33Å; Y72-Y74 AromaticContact CD1-CD2 3.92Å; Y72-Y74 HydrophobicContact CD1-CD2 3.92Å; Y72-Y74 AromaticContact CD1-CE2 3.46Å; Y72-Y74 HydrophobicContact CD1-CE2 3.46Å; Y72-Y74 VanDerWaalsContact CD1-CE2 3.46Å; Y72-Y74 AromaticContact CE1-CE2 3.98Å; Y72-Y74 HydrophobicContact CE1-CE2 3.98Å; Y72-Y74 HydrophobicContact CG-CE2 4.42Å; Y74-V76 PolarHBondContact O-N 3.38Å; Y74-V196 HydrophobicContact CE2-CG1 4.41Å; Y74-V199 HydrophobicContact CE1-CG1 4.22Å; Y74-V199 HydrophobicContact CE2-CG1 4.25Å; Y74-L203 HydrophobicContact CE1-CD1 3.65Å
75	R	94.4	Very high	78.6	Confident	129 Å²	129	52.9 Å²	52.9	49%	0.487	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	126.2	163.9	-67.4	177.6	62.3	-143.3	-2.1	107.7	E44 F46 H47 V48	E44-R75 WeakPolarHBondContact O-CD 3.39Å; F46-R75 PolarHBondContact O-N 2.82Å; H47-R75 CarbonylContact C-O 3.59Å; H47-R75 WeakPolarHBondContact CA-O 3.5Å; H47-R75 PolarHBondContact CD2-O 3.47Å; V48-R75 PolarHBondContact N-O 3.49Å
76	V	94.9	Very high	75.2	Confident	14 Å²	14	56.5 Å²	56.5	9%	0.085	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.3	-178.2	-168.8	0	0	0	0	110.7	V48 V50 T66 L69 V70 Y74	V48-V76 HydrophobicContact CB-CG1 4.48Å; V48-V76 HydrophobicContact CB-CG2 4.33Å; V48-V76 CarbonylContact O-C 3.59Å; V48-V76 VanDerWaalsContact O-CA 3.31Å; V48-V76 WeakPolarHBondContact O-CA 3.34Å; V50-V76 HydrophobicContact CG2-CG1 3.58Å; T66-V76 HydrophobicContact CG2-CB 4.17Å; T66-V76 HydrophobicContact CG2-CG1 3.8Å; L69-V76 HydrophobicContact CB-CG2 3.76Å; V70-V76 HydrophobicContact CG2-CB 3.97Å; V70-V76 HydrophobicContact CG2-CG2 3.69Å; Y74-V76 PolarHBondContact O-N 3.38Å
77	T	93.2	Very high	71.6	Confident	29 Å²	29	61.3 Å²	61.3	18%	0.178	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.4	164.4	-59.8	0	0	0	0	108.4	H47 V48 F49 V50 A129	H47-T77 PolarHBondContact NE2-OG1 3.02Å; V48-T77 PolarHBondContact O-N 3.36Å; F49-T77 WeakPolarHBondContact CA-O 3.26Å; F49-T77 HydrophobicContact CD2-CG2 4.23Å; F49-T77 HydrophobicContact CE2-CG2 4.35Å; V50-T77 PolarHBondContact N-O 2.82Å; T77-A129 HydrophobicContact CG2-CB 3.81Å
78	L	88	Confident	68.1	Low	4 Å²	4	71 Å²	71	2%	0.021	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	121.3	173.7	179.1	71.5	0	0	0	108.7	V50 G80 S81 I83 R244	V50-L78 HydrophobicContact CB-CD1 3.76Å; V50-L78 HydrophobicContact CG1-CD1 3.59Å; L78-G80 PolarHBondContact O-N 2.91Å; L78-S81 WeakPolarHBondContact CB-OG 3.37Å; L78-S81 PolarHBondContact O-N 3.23Å; L78-S81 PolarHBondContact O-OG 3.04Å; L78-I83 HydrophobicContact CB-CD1 3.94Å; L78-R244 HydrophobicContact CD2-CB 3.87Å; L78-R244 HydrophobicContact CD2-CG 4.07Å
79	D	81.6	Confident	64.6	Low	39 Å²	39	74.8 Å²	74.8	21%	0.209	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	132.3	-175.1	-172.6	27.5	0	0	0	111.9	F49 V50 Q51 S81 N126 R244	F49-D79 HydrophobicContact CE1-CB 4.43Å; F49-D79 HydrophobicContact CE2-CB 4.17Å; F49-D79 HydrophobicContact CZ-CB 3.69Å; V50-D79 WeakPolarHBondContact O-CB 3.43Å; V50-D79 PolarHBondContact O-N 3.42Å; Q51-D79 HydrophobicContact CB-CB 4.14Å; Q51-D79 HydrophobicContact CG-CB 3.96Å; Q51-D79 WeakPolarHBondContact CG-OD2 3.21Å; Q51-D79 PolarHBondContact NE2-OD2 2.93Å; D79-S81 VanDerWaalsContact C-N 3.3Å; D79-S81 PolarHBondContact O-N 3Å; D79-N126 PolarHBondContact OD1-ND2 3.47Å; D79-R244 PolarHBondContact O-NE 2.97Å; D79-R244 PolarHBondContact O-NH2 2.08Å
80	G	65.1	Low	61	Low	39 Å²	39	84.7 Å²	84.7	40%	0.402	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	25.8	-175.5	0	0	0	0	0	115.5	L78 N126 R244	L78-G80 PolarHBondContact O-N 2.91Å; G80-N126 PolarHBondContact N-ND2 3.37Å; G80-N126 VanDerWaalsContact N-ND2 3.11Å; G80-R244 PolarHBondContact O-NE 3.47Å; G80-R244 PolarHBondContact O-NH2 3.43Å
81	S	52.6	Low	57.6	Low	13 Å²	13	86.1 Å²	86.1	9%	0.091	48%	0.483	C	S	.	.			trans	-122	136.8	160.5	61.4	0	0	0	0	110.5	L78 D79 I83	L78-S81 WeakPolarHBondContact CB-OG 3.37Å; L78-S81 PolarHBondContact O-N 3.23Å; L78-S81 PolarHBondContact O-OG 3.04Å; D79-S81 VanDerWaalsContact C-N 3.3Å; D79-S81 PolarHBondContact O-N 3Å; S81-I83 PolarHBondContact O-N 3.43Å; S81-I83 WeakPolarHBondContact OG-CG1 3.38Å
82	Q	33.6	Very low	54	Low	176 Å²	176	86 Å²	86	82%	0.822	49%	0.49	S	S	*	.			trans	-84.7	85.3	167.2	-66.9	-172.7	1.4	0	0	107.6	T84	Q82-T84 PolarHBondContact O-N 3.48Å; Q82-T84 VanDerWaalsContact O-N 3.08Å
83	I	32.3	Very low	50.6	Low	61 Å²	61	88.9 Å²	88.9	31%	0.313	51%	0.511	S	S	.	.			trans	-76.1	97.1	173.3	-56.6	178.4	0	0	0	107.4	L78 S81 N85 I242	L78-I83 HydrophobicContact CB-CD1 3.94Å; S81-I83 PolarHBondContact O-N 3.43Å; S81-I83 WeakPolarHBondContact OG-CG1 3.38Å; I83-N85 PolarHBondContact O-N 2.92Å; I83-I242 HydrophobicContact CD1-CG2 4.43Å
84	T	27	Very low	47.1	Very low	103 Å²	103	92.7 Å²	92.7	63%	0.632	53%	0.534	S	S	*	.			trans	-81.2	111.7	166.4	54.3	0	0	0	0	108	Q82 G86	Q82-T84 PolarHBondContact O-N 3.48Å; Q82-T84 VanDerWaalsContact O-N 3.08Å; T84-G86 PolarHBondContact O-N 3.27Å
85	N	26.9	Very low	43.6	Very low	109 Å²	109	97.3 Å²	97.3	58%	0.583	57%	0.568	S	S	*	*			trans	-58.4	112.7	166.5	-76.8	-14.7	0	0	0	108.1	I83 C87	I83-N85 PolarHBondContact O-N 2.92Å; N85-C87 PolarHBondContact O-N 2.88Å
86	G	24.1	Very low	40.3	Very low	77 Å²	77	97.4 Å²	97.4	79%	0.794	58%	0.583	S	S	*	*			trans	-64.5	103.1	172.7	0	0	0	0	0	109.8	T84	T84-G86 PolarHBondContact O-N 3.27Å
87	C	21.9	Very low	36.8	Very low	102 Å²	102	101.1 Å²	101.1	69%	0.689	61%	0.61	S	S	*	*			trans	-111.8	111.2	142.1	-72.6	0	0	0	0	105.3	N85 S89	N85-C87 PolarHBondContact O-N 2.88Å; C87-S89 PolarHBondContact O-N 2.79Å
88	E	21.9	Very low	33.5	Very low	205 Å²	205	106 Å²	106	96%	0.958	64%	0.635	S	S	*	*			trans	-47	110.8	172	-67	172.8	165.4	0	0	109
89	S	23.3	Very low	30.5	Very low	104 Å²	104	115.9 Å²	115.9	73%	0.727	68%	0.678	S	S	*	*			trans	-145	105.7	161.2	47.4	0	0	0	0	107.4	C87 A91	C87-S89 PolarHBondContact O-N 2.79Å; S89-A91 PolarHBondContact O-N 2.8Å
90	E	22.8	Very low	27.6	Very low	207 Å²	207	119 Å²	119	97%	0.967	71%	0.709	S	S	*	*			trans	-58.8	115.7	169.8	-63.1	176.4	153.2	0	0	108.5
91	A	24.1	Very low	25.6	Very low	92 Å²	92	121.8 Å²	121.8	76%	0.76	72%	0.722	S	S	*	*			trans	-149.3	97.9	169.6	0	0	0	0	0	111.7	S89	S89-A91 PolarHBondContact O-N 2.8Å
92	N	20.5	Very low	24.3	Very low	158 Å²	158	125 Å²	125	85%	0.845	76%	0.756	S	S	*	*			trans	12.5	119.6	152.6	-71.9	-30.4	0	0	0	120.7
93	I	22.4	Very low	23.9	Very low	167 Å²	167	121.1 Å²	121.1	86%	0.856	75%	0.748	S	S	*	*			trans	-16.2	123.1	145.2	-56	162.4	0	0	0	114.2
94	S	22.2	Very low	23.6	Very low	105 Å²	105	127.3 Å²	127.3	73%	0.734	78%	0.775	S	S	*	*			trans	-144	119	145.6	110.1	0	0	0	0	109.6
95	S	23.6	Very low	23.4	Very low	111 Å²	111	129.5 Å²	129.5	78%	0.776	78%	0.783	S	S	*	*			trans	-66.2	125.5	174.7	51.2	0	0	0	0	111.7
96	T	23.6	Very low	23.3	Very low	130 Å²	130	131.5 Å²	131.5	80%	0.798	79%	0.794	S	S	*	*			trans	-138.4	116	155.4	51.5	0	0	0	0	109.4
97	S	22.1	Very low	23.3	Very low	93 Å²	93	131.2 Å²	131.2	65%	0.65	79%	0.791	S	S	*	*			trans	-69.2	162	172.1	57.7	0	0	0	0	111.8
98	D	24.2	Very low	23.6	Very low	131 Å²	131	134.1 Å²	134.1	70%	0.701	80%	0.8	S	S	*	*			trans	72.4	90	155	-49	-41.5	0	0	0	118.8
99	F	24	Very low	23.7	Very low	211 Å²	211	133.7 Å²	133.7	93%	0.925	80%	0.798	S	S	*	*			trans	-148.2	94.2	142.1	-82.2	-69.5	0	0	0	111.3
100	A	22.2	Very low	23.7	Very low	105 Å²	105	134.7 Å²	134.7	87%	0.868	80%	0.803	S	S	*	*			trans	-80.4	115.2	164.3	0	0	0	0	0	109.8
101	C	22.9	Very low	23.9	Very low	98 Å²	98	131 Å²	131	66%	0.662	80%	0.799	S	S	*	*			trans	-98.9	98.2	156.9	162.5	0	0	0	0	107.4	C103	C101-C103 WeakPolarHBondContact CB-SG 3.46Å; C101-C103 WeakPolarHBondContact SG-CB 3.49Å; C101-C103 CovalentContact SG-SG 2.08Å; C101-C103 PolarHBondContact SG-SG 3.12Å
102	G	24.9	Very low	23.9	Very low	80 Å²	80	132.7 Å²	132.7	83%	0.825	81%	0.805	S	S	*	*			trans	-84.9	101.7	159.9	0	0	0	0	0	107.3
103	C	25.5	Very low	24.3	Very low	95 Å²	95	134.7 Å²	134.7	64%	0.642	81%	0.806	S	S	*	*			trans	-139.1	89.8	-173.3	-48.7	0	0	0	0	107.2	C101	C101-C103 WeakPolarHBondContact CB-SG 3.46Å; C101-C103 WeakPolarHBondContact SG-CB 3.49Å; C101-C103 CovalentContact SG-SG 2.08Å; C101-C103 PolarHBondContact SG-SG 3.12Å
104	Q	24.9	Very low	24.4	Very low	191 Å²	191	135.9 Å²	135.9	89%	0.893	81%	0.808	S	S	*	*			trans	-77	143.6	171.1	-75.9	171.3	-28.5	0	0	109.6
105	D	24.5	Very low	24.5	Very low	148 Å²	148	140.9 Å²	140.9	79%	0.791	82%	0.817	S	S	*	*	S	Bend	trans	64	129.2	164.4	-79.7	-19.9	0	0	0	120.5
106	N	24.3	Very low	24.5	Very low	152 Å²	152	143.4 Å²	143.4	81%	0.813	82%	0.822	S	S	*	*			trans	73.5	106.3	154.6	-61.4	-27.2	0	0	0	119.5
107	G	23.9	Very low	24.6	Very low	71 Å²	71	142.7 Å²	142.7	73%	0.732	82%	0.822	S	S	*	*				74.6	99.1	129.7	0	0	0	0	0	117.6	Q109	G107-Q109 PolarHBondContact O-N 2.57Å
108	D	27	Very low	24.7	Very low	162 Å²	162	145.4 Å²	145.4	87%	0.866	83%	0.829	S	S	*	*	S	Bend	trans	35.1	71.4	141.5	-63.6	-12.6	0	0	0	118.2
109	Q	25.1	Very low	24.7	Very low	197 Å²	197	149.6 Å²	149.6	92%	0.921	84%	0.841	S	S	*	*			trans	174.8	92.3	140	-103.7	163.3	0.5	0	0	110.8	G107	G107-Q109 PolarHBondContact O-N 2.57Å
110	C	22.5	Very low	24.8	Very low	125 Å²	125	142 Å²	142	85%	0.845	82%	0.822	S	S	*	*			trans	-160.4	68.1	159.9	-154.3	0	0	0	0	112.5
111	C	27.8	Very low	25	Very low	130 Å²	130	143.3 Å²	143.3	88%	0.878	81%	0.814	S	S	*	*			trans	-157.5	70.1	161.4	-91.3	0	0	0	0	109.6
112	S	24.3	Very low	25.3	Very low	127 Å²	127	144.3 Å²	144.3	89%	0.888	82%	0.818	S	S	*	*			trans	-109.7	92.6	159	-58.2	0	0	0	0	106.6
113	K	28.4	Very low	26	Very low	199 Å²	199	145.2 Å²	145.2	87%	0.865	81%	0.807	S	S	*	*			trans	-120.6	135.8	170.9	-78.7	-168.3	175.4	-177.5	0	110
114	E	24.6	Very low	26.9	Very low	193 Å²	193	143.7 Å²	143.7	90%	0.902	79%	0.792	S	S	*	*			trans	-66.4	146.4	-164.1	-70.8	169.3	138.4	0	0	113.6	N116	E114-N116 PolarHBondContact O-N 2.71Å; E114-N116 VanDerWaalsContact O-N 3.14Å
115	K	24.3	Very low	28.8	Very low	210 Å²	210	137.3 Å²	137.3	91%	0.913	77%	0.768	S	S	*	*			trans	-67.7	100.9	179.7	-67	175.1	176.3	177.2	0	109.8
116	N	23.6	Very low	31.1	Very low	164 Å²	164	133 Å²	133	88%	0.877	75%	0.745	S	S	*	*			trans	-84	114.6	161.8	-126.8	0.6	0	0	0	108.5	E114 D118	E114-N116 PolarHBondContact O-N 2.71Å; E114-N116 VanDerWaalsContact O-N 3.14Å; N116-D118 PolarHBondContact O-N 3.08Å
117	S	25.5	Very low	33.6	Very low	115 Å²	115	129.9 Å²	129.9	80%	0.804	73%	0.734	S	S	*	*			trans	-75.7	96.9	-179	54.6	0	0	0	0	110
118	D	24.7	Very low	36.4	Very low	150 Å²	150	129.7 Å²	129.7	80%	0.802	72%	0.717	S	S	*	*			trans	-137.2	132.7	155.8	-141.3	-10.5	0	0	0	108.4	N116 G120	N116-D118 PolarHBondContact O-N 3.08Å; D118-G120 PolarHBondContact O-N 3.18Å
119	K	24.6	Very low	39.2	Very low	219 Å²	219	122 Å²	122	95%	0.952	68%	0.676	S	S	*	*			trans	-76.4	45.5	-169.4	-74.7	-178	174.7	177.3	0	112.6
120	G	24.5	Very low	42.4	Very low	51 Å²	51	114.2 Å²	114.2	53%	0.526	64%	0.639	S	S	.	*	S	Bend	trans	-86.6	148.8	165.9	0	0	0	0	0	110.6	D118 V122	D118-G120 PolarHBondContact O-N 3.18Å; G120-V122 PolarHBondContact O-N 3.42Å
121	N	27.3	Very low	45.6	Very low	132 Å²	132	114.8 Å²	114.8	71%	0.706	63%	0.627	S	S	*	*			trans	-45.4	102.3	175.6	-97	-15.6	0	0	0	110.9	V123	N121-V123 PolarHBondContact O-N 2.96Å
122	V	29.3	Very low	48.7	Very low	120 Å²	120	113.1 Å²	113.1	73%	0.727	61%	0.609	S	S	*	*			trans	-69.9	102.8	177.3	179.7	0	0	0	0	107.4	G120 L124	G120-V122 PolarHBondContact O-N 3.42Å; V122-L124 PolarHBondContact O-N 3.22Å
123	V	39.6	Very low	52.1	Low	99 Å²	99	107.1 Å²	107.1	60%	0.6	57%	0.567	S	S	*	*			trans	-67.3	103.5	168.5	-178	0	0	0	0	106.7	N121	N121-V123 PolarHBondContact O-N 2.96Å
124	L	45	Very low	55.3	Low	62 Å²	62	100.4 Å²	100.4	33%	0.325	54%	0.541	S	S	.	.			trans	-62.1	139.9	176.3	-69.4	170	0	0	0	109.3	V122 D128 A129	V122-L124 PolarHBondContact O-N 3.22Å; L124-D128 HydrophobicContact CB-CB 4.17Å; L124-D128 HydrophobicContact CD2-CB 4.01Å; L124-A129 HydrophobicContact CB-CB 4.24Å
125	S	64.1	Low	58.7	Low	57 Å²	57	91.2 Å²	91.2	40%	0.399	50%	0.498	S	S	.	.			trans	-58.4	152.8	166.9	78.1	0	0	0	0	109.5	C127 D128 A129	S125-C127 PolarHBondContact O-N 2.97Å; S125-C127 VanDerWaalsContact O-N 3.13Å; S125-D128 WeakPolarHBondContact CB-OD2 3.49Å; S125-D128 PolarHBondContact O-N 2.81Å; S125-D128 PolarHBondContact OG-N 2.77Å; S125-D128 VanDerWaalsContact OG-N 3.17Å; S125-D128 PolarHBondContact OG-OD2 3.34Å; S125-A129 WeakPolarHBondContact O-CB 3.4Å; S125-A129 PolarHBondContact O-N 3.41Å
126	N	72.7	Confident	62.2	Low	57 Å²	57	81.3 Å²	81.3	31%	0.305	46%	0.455	S	S	.	.	H	α-helix	trans	-55.2	-34.8	178.7	-81.6	-10.9	0	0	0	112.5	D79 G80 K130	D79-N126 PolarHBondContact OD1-ND2 3.47Å; G80-N126 PolarHBondContact N-ND2 3.37Å; G80-N126 VanDerWaalsContact N-ND2 3.11Å; N126-K130 WeakPolarHBondContact O-CB 3.43Å; N126-K130 PolarHBondContact O-N 2.78Å
127	C	77.1	Confident	65.7	Low	87 Å²	87	73.5 Å²	73.5	59%	0.588	41%	0.413	S	S	*	.	H	α-helix	trans	-65.3	-42.6	175.2	-64.9	0	0	0	0	112.1	S125 K131	S125-C127 PolarHBondContact O-N 2.97Å; S125-C127 VanDerWaalsContact O-N 3.13Å; C127-K131 WeakPolarHBondContact O-CB 3.34Å; C127-K131 VanDerWaalsContact O-CG 3.28Å; C127-K131 WeakPolarHBondContact O-CG 3.45Å; C127-K131 PolarHBondContact O-N 3.06Å
128	D	82.9	Confident	69.2	Low	68 Å²	68	68 Å²	68	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-70.9	-39.3	177.7	-61.1	-41.2	0	0	0	111.3	L124 S125 K131 N132	L124-D128 HydrophobicContact CB-CB 4.17Å; L124-D128 HydrophobicContact CD2-CB 4.01Å; S125-D128 WeakPolarHBondContact CB-OD2 3.49Å; S125-D128 PolarHBondContact O-N 2.81Å; S125-D128 PolarHBondContact OG-N 2.77Å; S125-D128 VanDerWaalsContact OG-N 3.17Å; S125-D128 PolarHBondContact OG-OD2 3.34Å; D128-K131 PolarHBondContact O-N 3.49Å; D128-N132 VanDerWaalsContact O-CB 3.26Å; D128-N132 WeakPolarHBondContact O-CB 3.36Å; D128-N132 VanDerWaalsContact O-CG 3.23Å; D128-N132 PolarHBondContact O-N 2.91Å; D128-N132 PolarHBondContact O-ND2 2.64Å; D128-N132 VanDerWaalsContact O-ND2 3.11Å
129	A	86.4	Confident	72.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.4	-47.9	174.5	0	0	0	0	0	111.2	H47 T77 L124 S125 K131 N132 A133	H47-A129 PolarHBondContact CE1-O 2.78Å; T77-A129 HydrophobicContact CG2-CB 3.81Å; L124-A129 HydrophobicContact CB-CB 4.24Å; S125-A129 WeakPolarHBondContact O-CB 3.4Å; S125-A129 PolarHBondContact O-N 3.41Å; A129-K131 PolarHBondContact O-N 3.5Å; A129-N132 PolarHBondContact O-N 2.97Å; A129-A133 WeakPolarHBondContact O-CB 3.29Å; A129-A133 PolarHBondContact O-N 2.79Å
130	K	91.5	Very high	76	Confident	34 Å²	34	50.5 Å²	50.5	15%	0.148	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-46.1	175.4	-176.8	174.8	173.6	-173.7	0	111.8	F49 N126 N132 W136 E157	F49-K130 HydrophobicContact CD1-CB 3.98Å; F49-K130 HydrophobicContact CD1-CD 4.23Å; F49-K130 HydrophobicContact CD1-CG 3.74Å; F49-K130 HydrophobicContact CD2-CB 3.97Å; F49-K130 HydrophobicContact CE1-CB 3.82Å; F49-K130 HydrophobicContact CE1-CD 3.63Å; F49-K130 HydrophobicContact CE1-CG 3.61Å; F49-K130 HydrophobicContact CE2-CB 3.82Å; F49-K130 HydrophobicContact CG-CB 4.04Å; F49-K130 HydrophobicContact CG-CG 4.24Å; F49-K130 HydrophobicContact CZ-CB 3.74Å; F49-K130 HydrophobicContact CZ-CD 4.04Å; F49-K130 HydrophobicContact CZ-CG 4.04Å; N126-K130 WeakPolarHBondContact O-CB 3.43Å; N126-K130 PolarHBondContact O-N 2.78Å; K130-N132 PolarHBondContact O-N 2.81Å; K130-W136 HydrophobicContact CD-CH2 4.28Å; K130-W136 HydrophobicContact CD-CZ2 4.23Å; K130-W136 VanDerWaalsContact CE-CZ3 3.41Å; K130-W136 HydrophobicContact CG-CD2 4.47Å; K130-W136 HydrophobicContact CG-CH2 4.09Å; K130-W136 HydrophobicContact CG-CZ2 3.54Å; K130-W136 PolarHBondContact O-NE1 3.29Å; K130-E157 IonicContact NZ-OE1 3.97Å; K130-E157 IonicContact NZ-OE2 2.64Å; K130-E157 PolarHBondContact NZ-OE2 2.67Å
131	K	90.6	Very high	79.2	Confident	136 Å²	136	48.3 Å²	48.3	59%	0.591	27%	0.268	S	S	*	.	H	α-helix	trans	-64.9	-36.7	179.6	-76.6	174.3	-177.8	175.6	0	112.9	C127 D128 A129 K163	C127-K131 WeakPolarHBondContact O-CB 3.34Å; C127-K131 VanDerWaalsContact O-CG 3.28Å; C127-K131 WeakPolarHBondContact O-CG 3.45Å; C127-K131 PolarHBondContact O-N 3.06Å; D128-K131 PolarHBondContact O-N 3.49Å; A129-K131 PolarHBondContact O-N 3.5Å; K131-K163 WeakPolarHBondContact O-CE 3.33Å; K131-K163 PolarHBondContact O-NZ 2.9Å
132	N	91.8	Very high	82.1	Confident	96 Å²	96	42.1 Å²	42.1	51%	0.513	24%	0.235	S	C	.	.	H	α-helix	trans	-89.2	-14.5	-175.9	-66.2	-31.4	0	0	0	113.7	D128 A129 K130	D128-N132 VanDerWaalsContact O-CB 3.26Å; D128-N132 WeakPolarHBondContact O-CB 3.36Å; D128-N132 VanDerWaalsContact O-CG 3.23Å; D128-N132 PolarHBondContact O-N 2.91Å; D128-N132 PolarHBondContact O-ND2 2.64Å; D128-N132 VanDerWaalsContact O-ND2 3.11Å; A129-N132 PolarHBondContact O-N 2.97Å; K130-N132 PolarHBondContact O-N 2.81Å
133	A	95	Very high	84.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.			trans	-61.3	142	178.6	0	0	0	0	0	113.1	H47 F49 A129 K163	H47-A133 CarbonylContact O-C 3.54Å; F49-A133 HydrophobicContact CB-CB 3.53Å; A129-A133 WeakPolarHBondContact O-CB 3.29Å; A129-A133 PolarHBondContact O-N 2.79Å; A133-K163 PolarHBondContact O-NZ 3.19Å
134	D	95.5	Very high	86.8	Confident	58 Å²	58	39.5 Å²	39.5	31%	0.31	21%	0.212	S	C	.	.	S	Bend	trans	-78.3	-33.5	177.1	-59.9	-71.2	0	0	0	111.7	F46 H47 R164 L203	F46-D134 WeakPolarHBondContact CA-OD2 3.12Å; F46-D134 HydrophobicContact CD1-CB 4.06Å; H47-D134 PolarHBondContact N-OD2 3.18Å; H47-D134 PolarHBondContact O-N 2.97Å; D134-R164 WeakPolarHBondContact O-CB 3.43Å; D134-L203 HydrophobicContact CB-CD2 4.02Å
135	V	96.8	Very high	88.7	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.5	178.5	-176.3	0	0	0	0	110.5	H47 V48 F49 V137 R164 V166 V199 L203	H47-V135 PolarHBondContact O-N 3.38Å; V48-V135 WeakPolarHBondContact CA-O 3.41Å; F49-V135 PolarHBondContact N-O 3.48Å; V135-V137 HydrophobicContact CG1-CG2 4.5Å; V135-R164 CarbonylContact C-O 3.57Å; V135-R164 WeakPolarHBondContact CA-O 3.49Å; V135-R164 HydrophobicContact CB-CB 4.45Å; V135-R164 HydrophobicContact CG1-CB 4.46Å; V135-R164 HydrophobicContact CG2-CB 3.95Å; V135-V166 HydrophobicContact CG1-CG2 3.95Å; V135-V199 HydrophobicContact CG2-CG1 4.42Å; V135-L203 HydrophobicContact CG2-CD1 4.35Å; V135-L203 HydrophobicContact CG2-CD2 3.33Å; V135-L203 HydrophobicContact CG2-CG 3.56Å
136	W	97.5	Very high	89.8	Confident	2 Å²	2	37 Å²	37	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.5	169.1	-64.4	0.7	0	0	0	109.9	F49 K130 L138 E157 L161 K163 R164 V165 V166	F49-W136 CarbonylContact O-C 3.58Å; F49-W136 WeakPolarHBondContact O-CA 3.32Å; K130-W136 HydrophobicContact CD-CH2 4.28Å; K130-W136 HydrophobicContact CD-CZ2 4.23Å; K130-W136 VanDerWaalsContact CE-CZ3 3.41Å; K130-W136 HydrophobicContact CG-CD2 4.47Å; K130-W136 HydrophobicContact CG-CH2 4.09Å; K130-W136 HydrophobicContact CG-CZ2 3.54Å; K130-W136 PolarHBondContact O-NE1 3.29Å; W136-L138 HydrophobicContact CB-CD2 4.14Å; W136-L138 HydrophobicContact CB-CG 4.25Å; W136-E157 HydrophobicContact CH2-CG 4.25Å; W136-E157 HydrophobicContact CZ3-CB 4.44Å; W136-E157 HydrophobicContact CZ3-CG 4.35Å; W136-L161 HydrophobicContact CH2-CD1 3.94Å; W136-L161 HydrophobicContact CZ2-CD1 4.36Å; W136-K163 HydrophobicContact CD2-CB 4.32Å; W136-K163 HydrophobicContact CD2-CG 4.35Å; W136-K163 HydrophobicContact CH2-CG 4.47Å; W136-K163 HydrophobicContact CZ2-CG 3.87Å; W136-R164 PolarHBondContact N-O 3.04Å; W136-V165 WeakPolarHBondContact O-CA 3.47Å; W136-V166 PolarHBondContact O-N 3.15Å
137	V	98.2	Very high	90.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	110.9	169.5	178.3	0	0	0	0	107.7	V48 F49 V50 Q51 M65 V135 V166 A168 I195 V199	V48-V137 HydrophobicContact CG1-CB 4.39Å; V48-V137 HydrophobicContact CG1-CG2 3.57Å; F49-V137 PolarHBondContact O-N 2.7Å; V50-V137 CarbonylContact C-O 3.6Å; V50-V137 VanDerWaalsContact CA-O 3.32Å; V50-V137 WeakPolarHBondContact CA-O 3.28Å; V50-V137 HydrophobicContact CG1-CG1 4.46Å; V50-V137 HydrophobicContact CG2-CB 4.13Å; Q51-V137 PolarHBondContact N-O 2.77Å; M65-V137 HydrophobicContact CE-CG1 4.44Å; M65-V137 HydrophobicContact SD-CG1 4.31Å; V135-V137 HydrophobicContact CG1-CG2 4.5Å; V137-V166 WeakPolarHBondContact CA-O 3.33Å; V137-V166 HydrophobicContact CG2-CB 4.2Å; V137-A168 HydrophobicContact CG1-CB 4.42Å; V137-I195 HydrophobicContact CG1-CD1 4.02Å; V137-I195 HydrophobicContact CG2-CD1 4.23Å; V137-V199 HydrophobicContact CG2-CG2 3.94Å
138	L	97.6	Very high	91.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	101.1	-172.7	-59	-174.7	0	0	0	108.9	Q51 W53 W136 F151 A154 V155 V165 V166 A168	Q51-L138 HydrophobicContact CB-CD2 3.94Å; Q51-L138 CarbonylContact O-C 3.58Å; W53-L138 HydrophobicContact CH2-CD2 4.07Å; W53-L138 HydrophobicContact CZ3-CB 4.05Å; W53-L138 HydrophobicContact CZ3-CD2 4.2Å; W136-L138 HydrophobicContact CB-CD2 4.14Å; W136-L138 HydrophobicContact CB-CG 4.25Å; L138-F151 HydrophobicContact CB-CD2 3.96Å; L138-F151 HydrophobicContact CB-CE2 3.68Å; L138-F151 VanDerWaalsContact O-CE2 3.31Å; L138-F151 WeakPolarHBondContact O-CE2 3.41Å; L138-A154 HydrophobicContact CD1-CB 3.93Å; L138-V155 HydrophobicContact CD1-CB 4.43Å; L138-V155 HydrophobicContact CD1-CG2 3.74Å; L138-V165 HydrophobicContact CD1-CG1 3.89Å; L138-V165 HydrophobicContact CG-CG1 4.31Å; L138-V166 PolarHBondContact N-O 2.98Å; L138-A168 PolarHBondContact O-N 3.21Å
139	N	97.2	Very high	91.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	118.7	-177.7	-169.4	17	0	0	0	111.9	Q51 T52 W53 N58 S62 M65 A168 G169	Q51-N139 PolarHBondContact O-N 2.81Å; T52-N139 WeakPolarHBondContact CA-O 3.46Å; T52-N139 HydrophobicContact CG2-CB 4.19Å; W53-N139 PolarHBondContact N-O 3.5Å; N58-N139 PolarHBondContact O-ND2 3.01Å; S62-N139 PolarHBondContact OG-ND2 2.94Å; M65-N139 HydrophobicContact CE-CB 3.92Å; N139-A168 HydrophobicContact CB-CB 4.19Å; N139-G169 WeakPolarHBondContact OD1-CA 3.45Å; N139-G169 PolarHBondContact OD1-N 2.98Å
140	S	95.8	Very high	92	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	149.1	-164.4	65.1	0	0	0	0	113.9	N58 F151 A168 C170 V171 P172	N58-S140 PolarHBondContact ND2-O 2.86Å; S140-F151 VanDerWaalsContact CB-CG 3.47Å; S140-A168 WeakPolarHBondContact CB-O 3.31Å; S140-A168 PolarHBondContact N-O 3.5Å; S140-A168 PolarHBondContact OG-O 3.28Å; S140-C170 PolarHBondContact O-N 3.26Å; S140-V171 VanDerWaalsContact OG-CB 3.24Å; S140-V171 WeakPolarHBondContact OG-CB 3.49Å; S140-V171 WeakPolarHBondContact OG-CG2 3.2Å; S140-V171 PolarHBondContact OG-N 3.16Å; S140-V171 VanDerWaalsContact OG-N 3.11Å; S140-P172 WeakPolarHBondContact OG-CD 3.4Å
141	C	91.8	Very high	92.2	Very high	6 Å²	6	34.5 Å²	34.5	4%	0.041	18%	0.18	C	C	.	.			trans	-106.7	145.2	166.4	-166.3	0	0	0	0	110.4	W53 V143 A147 V171	W53-C141 WeakPolarHBondContact O-CB 3.17Å; W53-C141 PolarHBondContact O-N 3.1Å; C141-V143 VanDerWaalsContact SG-CG2 3.54Å; C141-A147 HydrophobicContact CB-CB 4.39Å; C141-V171 WeakPolarHBondContact O-CG2 3.24Å
142	T	88.2	Confident	92.5	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	16%	0.164	C	C	.	.			trans	-107.7	-1.5	-179.7	-163.3	0	0	0	0	113.1	C170 S174 K265 A269 R475	T142-C170 HydrophobicContact CG2-CB 3.67Å; T142-S174 PolarHBondContact OG1-OG 3.11Å; T142-K265 HydrophobicContact CG2-CB 3.94Å; T142-K265 HydrophobicContact CG2-CG 3.88Å; T142-K265 VanDerWaalsContact OG1-CG 3.24Å; T142-K265 WeakPolarHBondContact OG1-CG 3.27Å; T142-A269 HydrophobicContact CG2-CB 4.15Å; T142-R475 PolarHBondContact O-NE 2.92Å; T142-R475 PolarHBondContact O-NH2 3.29Å; T142-R475 VanDerWaalsContact O-NH2 3.08Å; T142-R475 PolarHBondContact OG1-NH2 2.9Å
143	V	84.8	Confident	92.7	Very high	80 Å²	80	30.3 Å²	30.3	49%	0.485	16%	0.159	S	C	.	.	S	Bend	trans	-72.2	-49.4	-169.2	178.3	0	0	0	0	111.8	C141 T266	C141-V143 VanDerWaalsContact SG-CG2 3.54Å; V143-T266 WeakPolarHBondContact CG2-OG1 3.41Å
144	K	83.5	Confident	92.7	Very high	85 Å²	85	30.5 Å²	30.5	37%	0.37	16%	0.161	S	C	.	.	S	Bend	trans	-111	140	-177.3	-58	-169.9	-176.3	-167.3	0	110.2	A147 E148 N470	K144-A147 HydrophobicContact CB-CB 4.39Å; K144-A147 PolarHBondContact O-N 2.79Å; K144-E148 PolarHBondContact O-N 3.45Å; K144-N470 VanDerWaalsContact CE-OD1 3.32Å; K144-N470 WeakPolarHBondContact CE-OD1 3.42Å; K144-N470 PolarHBondContact NZ-OD1 2.83Å
145	G	84.3	Confident	92.8	Very high	5 Å²	5	27.8 Å²	27.8	5%	0.052	15%	0.146	C	C	.	.	H	α-helix	trans	-50.8	-56.1	175.6	0	0	0	0	0	112.5	A147 E148 D149	G145-A147 VanDerWaalsContact C-N 3.27Å; G145-A147 PolarHBondContact O-N 3.21Å; G145-A147 VanDerWaalsContact O-N 3.15Å; G145-E148 PolarHBondContact O-N 3.41Å; G145-D149 VanDerWaalsContact C-OD2 3.25Å; G145-D149 VanDerWaalsContact O-CG 3.24Å; G145-D149 PolarHBondContact O-N 2.83Å; G145-D149 VanDerWaalsContact O-OD2 3.09Å
146	P	87.1	Confident	92.8	Very high	60 Å²	60	31.5 Å²	31.5	39%	0.39	17%	0.166	S	C	.	.	H	α-helix	trans	-55.5	-37.4	-179.7	-30.1	36.2	0	0	0	114.4	D149 H150	P146-D149 PolarHBondContact O-N 2.86Å; P146-H150 PolarHBondContact O-CD2 2.87Å; P146-H150 PolarHBondContact O-N 3.21Å
147	A	87.6	Confident	92.8	Very high	20 Å²	20	35.2 Å²	35.2	17%	0.165	18%	0.183	C	C	.	.	H	α-helix	trans	-66.4	-39.9	177.8	0	0	0	0	0	112.1	C141 K144 G145 F151	C141-A147 HydrophobicContact CB-CB 4.39Å; K144-A147 HydrophobicContact CB-CB 4.39Å; K144-A147 PolarHBondContact O-N 2.79Å; G145-A147 VanDerWaalsContact C-N 3.27Å; G145-A147 PolarHBondContact O-N 3.21Å; G145-A147 VanDerWaalsContact O-N 3.15Å; A147-F151 WeakPolarHBondContact O-CB 3.38Å; A147-F151 PolarHBondContact O-N 2.82Å
148	E	91.8	Very high	92.6	Very high	5 Å²	5	35.2 Å²	35.2	2%	0.023	18%	0.183	C	C	.	.	H	α-helix	trans	-68.6	-38.2	171.2	-178.9	179.4	173.2	0	0	111.4	K144 G145 F151 R152 V171 R175 Y180 R475	K144-E148 PolarHBondContact O-N 3.45Å; G145-E148 PolarHBondContact O-N 3.41Å; E148-F151 PolarHBondContact O-N 2.88Å; E148-R152 WeakPolarHBondContact O-CB 3.19Å; E148-R152 PolarHBondContact O-N 2.72Å; E148-V171 HydrophobicContact CB-CG2 4.31Å; E148-V171 HydrophobicContact CG-CG1 4.25Å; E148-V171 HydrophobicContact CG-CG2 4Å; E148-R175 IonicContact OE1-NH1 3.27Å; E148-Y180 PolarHBondContact OE1-OH 3.49Å; E148-R475 IonicContact OE2-CZ 3.77Å; E148-R475 IonicContact OE2-NH1 2.81Å; E148-R475 PolarHBondContact OE2-NH1 3.17Å; E148-R475 IonicContact OE2-NH2 3.83Å; E148-R475 PolarHBondContact OE2-NH2 3.29Å
149	D	92.6	Very high	92.5	Very high	58 Å²	58	38.8 Å²	38.8	31%	0.31	20%	0.202	S	C	.	.	H	α-helix	trans	-61.8	-46.5	-180	-64.4	-40.4	0	0	0	111.5	G145 P146 F151 R152 N153	G145-D149 VanDerWaalsContact C-OD2 3.25Å; G145-D149 VanDerWaalsContact O-CG 3.24Å; G145-D149 PolarHBondContact O-N 2.83Å; G145-D149 VanDerWaalsContact O-OD2 3.09Å; P146-D149 PolarHBondContact O-N 2.86Å; D149-F151 PolarHBondContact O-N 2.82Å; D149-R152 PolarHBondContact O-N 2.79Å; D149-R152 IonicContact OD1-CZ 2.84Å; D149-R152 IonicContact OD1-NH1 2.74Å; D149-R152 PolarHBondContact OD1-NH1 2.85Å; D149-R152 IonicContact OD1-NH2 2.79Å; D149-R152 PolarHBondContact OD1-NH2 2.82Å; D149-N153 WeakPolarHBondContact O-CB 3.48Å; D149-N153 PolarHBondContact O-N 2.92Å; D149-N153 PolarHBondContact O-ND2 2.77Å; D149-N153 PolarHBondContact O-OD1 2.91Å
150	H	93.2	Very high	92.4	Very high	111 Å²	111	47.5 Å²	47.5	51%	0.514	24%	0.24	S	C	.	.	H	α-helix	trans	-61.2	-43.6	174	-70.8	-59.3	0	0	0	112.3	P146 N153 A154	P146-H150 PolarHBondContact O-CD2 2.87Å; P146-H150 PolarHBondContact O-N 3.21Å; H150-N153 PolarHBondContact O-N 2.73Å; H150-A154 WeakPolarHBondContact O-CB 3.48Å; H150-A154 PolarHBondContact O-N 2.97Å
151	F	95.5	Very high	92.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.6	-48.1	175.3	163.6	-108.6	0	0	0	112	W53 L138 S140 A147 E148 D149 N153 A154 V155 A167 V171 Y180 L181	W53-F151 HydrophobicContact CD2-CB 4.34Å; W53-F151 HydrophobicContact CE3-CB 4.02Å; W53-F151 HydrophobicContact CE3-CD2 4.15Å; W53-F151 HydrophobicContact CZ3-CB 4.34Å; W53-F151 AromaticContact CZ3-CD2 3.94Å; W53-F151 HydrophobicContact CZ3-CD2 3.94Å; L138-F151 HydrophobicContact CB-CD2 3.96Å; L138-F151 HydrophobicContact CB-CE2 3.68Å; L138-F151 VanDerWaalsContact O-CE2 3.31Å; L138-F151 WeakPolarHBondContact O-CE2 3.41Å; S140-F151 VanDerWaalsContact CB-CG 3.47Å; A147-F151 WeakPolarHBondContact O-CB 3.38Å; A147-F151 PolarHBondContact O-N 2.82Å; E148-F151 PolarHBondContact O-N 2.88Å; D149-F151 PolarHBondContact O-N 2.82Å; F151-N153 VanDerWaalsContact C-N 3.32Å; F151-N153 PolarHBondContact O-N 3.14Å; F151-A154 PolarHBondContact O-N 2.92Å; F151-V155 HydrophobicContact CD2-CG2 4.15Å; F151-V155 HydrophobicContact CE1-CG2 4.31Å; F151-V155 HydrophobicContact CE2-CG2 3.65Å; F151-V155 HydrophobicContact CZ-CG2 3.74Å; F151-V155 WeakPolarHBondContact O-CG2 3.31Å; F151-V155 PolarHBondContact O-N 3.28Å; F151-A167 HydrophobicContact CE2-CB 4.32Å; F151-A167 HydrophobicContact CZ-CB 3.81Å; F151-V171 HydrophobicContact CD1-CB 4.2Å; F151-V171 HydrophobicContact CD1-CG1 4.22Å; F151-V171 HydrophobicContact CD1-CG2 4.2Å; F151-V171 HydrophobicContact CE1-CB 3.89Å; F151-V171 HydrophobicContact CE1-CG1 3.83Å; F151-V171 HydrophobicContact CE1-CG2 4.39Å; F151-Y180 HydrophobicContact CD1-CE2 4.3Å; F151-Y180 AromaticContact CE1-CE2 3.86Å; F151-Y180 HydrophobicContact CE1-CE2 3.86Å; F151-L181 HydrophobicContact CE1-CD2 4.28Å; F151-L181 HydrophobicContact CZ-CD2 4.13Å
152	R	96.3	Very high	92.3	Very high	67 Å²	67	56.8 Å²	56.8	25%	0.253	30%	0.297	S	S	.	.	H	α-helix	trans	-56.3	-48.3	176	173.2	-174.2	65.5	-116.1	0.5	110.5	E148 D149 A154 V155 L156 Y180	E148-R152 WeakPolarHBondContact O-CB 3.19Å; E148-R152 PolarHBondContact O-N 2.72Å; D149-R152 PolarHBondContact O-N 2.79Å; D149-R152 IonicContact OD1-CZ 2.84Å; D149-R152 IonicContact OD1-NH1 2.74Å; D149-R152 PolarHBondContact OD1-NH1 2.85Å; D149-R152 IonicContact OD1-NH2 2.79Å; D149-R152 PolarHBondContact OD1-NH2 2.82Å; R152-A154 VanDerWaalsContact C-N 3.3Å; R152-A154 PolarHBondContact O-N 3.24Å; R152-V155 PolarHBondContact O-N 3.22Å; R152-L156 HydrophobicContact CG-CD1 3.98Å; R152-L156 HydrophobicContact CG-CG 4.39Å; R152-L156 WeakPolarHBondContact O-CG 3.49Å; R152-L156 PolarHBondContact O-N 3.11Å; R152-Y180 HydrophobicContact CB-CD1 4.44Å; R152-Y180 HydrophobicContact CB-CD2 4.3Å; R152-Y180 HydrophobicContact CB-CE1 4.26Å; R152-Y180 HydrophobicContact CB-CE2 4.13Å; R152-Y180 HydrophobicContact CB-CG 4.46Å; R152-Y180 HydrophobicContact CG-CD1 3.71Å; R152-Y180 HydrophobicContact CG-CD2 4.04Å; R152-Y180 HydrophobicContact CG-CE1 3.97Å; R152-Y180 HydrophobicContact CG-CE2 4.3Å; R152-Y180 HydrophobicContact CG-CG 3.74Å
153	N	96.6	Very high	92.6	Very high	77 Å²	77	59.1 Å²	59.1	41%	0.412	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-39.7	-178.7	-68.7	-8.7	0	0	0	111.1	D149 H150 F151 L156 E157	D149-N153 WeakPolarHBondContact O-CB 3.48Å; D149-N153 PolarHBondContact O-N 2.92Å; D149-N153 PolarHBondContact O-ND2 2.77Å; D149-N153 PolarHBondContact O-OD1 2.91Å; H150-N153 PolarHBondContact O-N 2.73Å; F151-N153 VanDerWaalsContact C-N 3.32Å; F151-N153 PolarHBondContact O-N 3.14Å; N153-L156 PolarHBondContact O-N 2.94Å; N153-E157 VanDerWaalsContact O-CB 3.28Å; N153-E157 WeakPolarHBondContact O-CB 3.32Å; N153-E157 PolarHBondContact O-N 3.22Å
154	A	95.9	Very high	93.2	Very high	5 Å²	5	60.3 Å²	60.3	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-65.4	-38	174.3	0	0	0	0	0	113.1	W53 L138 H150 F151 R152 G158	W53-A154 HydrophobicContact CH2-CB 3.54Å; W53-A154 HydrophobicContact CZ2-CB 3.93Å; L138-A154 HydrophobicContact CD1-CB 3.93Å; H150-A154 WeakPolarHBondContact O-CB 3.48Å; H150-A154 PolarHBondContact O-N 2.97Å; F151-A154 PolarHBondContact O-N 2.92Å; R152-A154 VanDerWaalsContact C-N 3.3Å; R152-A154 PolarHBondContact O-N 3.24Å; A154-G158 PolarHBondContact O-N 2.86Å
155	V	97	Very high	93.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-49.2	173.6	172.4	0	0	0	0	110.6	L138 F151 R152 E157 G158 I159 V165 Y180 V184	L138-V155 HydrophobicContact CD1-CB 4.43Å; L138-V155 HydrophobicContact CD1-CG2 3.74Å; F151-V155 HydrophobicContact CD2-CG2 4.15Å; F151-V155 HydrophobicContact CE1-CG2 4.31Å; F151-V155 HydrophobicContact CE2-CG2 3.65Å; F151-V155 HydrophobicContact CZ-CG2 3.74Å; F151-V155 WeakPolarHBondContact O-CG2 3.31Å; F151-V155 PolarHBondContact O-N 3.28Å; R152-V155 PolarHBondContact O-N 3.22Å; V155-E157 VanDerWaalsContact C-N 3.33Å; V155-E157 PolarHBondContact O-N 3.15Å; V155-G158 PolarHBondContact O-N 2.99Å; V155-I159 HydrophobicContact CG1-CD1 3.97Å; V155-I159 WeakPolarHBondContact O-CG1 3.37Å; V155-I159 PolarHBondContact O-N 2.68Å; V155-V165 HydrophobicContact CG2-CG1 4.42Å; V155-Y180 HydrophobicContact CB-CD2 4.49Å; V155-Y180 HydrophobicContact CG1-CD2 4.36Å; V155-Y180 VanDerWaalsContact CG1-O 3.28Å; V155-Y180 WeakPolarHBondContact CG1-O 3.26Å; V155-V184 HydrophobicContact CG1-CG1 4.2Å
156	L	97.5	Very high	94.5	Very high	79 Å²	79	56.2 Å²	56.2	41%	0.414	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-39.3	179.5	-68.4	175.1	0	0	0	112	R152 N153 I159 K160	R152-L156 HydrophobicContact CG-CD1 3.98Å; R152-L156 HydrophobicContact CG-CG 4.39Å; R152-L156 WeakPolarHBondContact O-CG 3.49Å; R152-L156 PolarHBondContact O-N 3.11Å; N153-L156 PolarHBondContact O-N 2.94Å; L156-I159 PolarHBondContact O-N 3.46Å; L156-K160 WeakPolarHBondContact O-CB 3.26Å; L156-K160 PolarHBondContact O-N 2.6Å
157	E	95.8	Very high	95	Very high	81 Å²	81	53.4 Å²	53.4	38%	0.379	27%	0.265	S	S	.	.	H	α-helix	trans	-59.8	-48.1	172.8	-175.1	-168.1	-171.7	0	0	111.1	K130 W136 N153 V155 I159 K160 L161	K130-E157 IonicContact NZ-OE1 3.97Å; K130-E157 IonicContact NZ-OE2 2.64Å; K130-E157 PolarHBondContact NZ-OE2 2.67Å; W136-E157 HydrophobicContact CH2-CG 4.25Å; W136-E157 HydrophobicContact CZ3-CB 4.44Å; W136-E157 HydrophobicContact CZ3-CG 4.35Å; N153-E157 VanDerWaalsContact O-CB 3.28Å; N153-E157 WeakPolarHBondContact O-CB 3.32Å; N153-E157 PolarHBondContact O-N 3.22Å; V155-E157 VanDerWaalsContact C-N 3.33Å; V155-E157 PolarHBondContact O-N 3.15Å; E157-I159 VanDerWaalsContact C-N 3.35Å; E157-I159 PolarHBondContact O-N 3.26Å; E157-K160 WeakPolarHBondContact O-CB 3.42Å; E157-K160 PolarHBondContact O-N 3.27Å; E157-L161 HydrophobicContact CG-CD1 4.1Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 2.79Å
158	G	95.1	Very high	95.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-45.7	177.9	0	0	0	0	0	112.2	A154 V155 L161 S162 K163	A154-G158 PolarHBondContact O-N 2.86Å; V155-G158 PolarHBondContact O-N 2.99Å; G158-L161 CarbonylContact O-C 3.58Å; G158-L161 PolarHBondContact O-N 3.44Å; G158-S162 PolarHBondContact O-N 2.99Å; G158-K163 WeakPolarHBondContact O-CB 3.39Å; G158-K163 PolarHBondContact O-N 3.32Å
159	I	94.3	Very high	95.6	Very high	75 Å²	75	52.2 Å²	52.2	39%	0.385	26%	0.256	S	S	.	.	H	α-helix	trans	-60.8	-46.9	175.6	-65.4	166.5	0	0	0	110.9	V155 L156 E157 L161 S162 V184	V155-I159 HydrophobicContact CG1-CD1 3.97Å; V155-I159 WeakPolarHBondContact O-CG1 3.37Å; V155-I159 PolarHBondContact O-N 2.68Å; L156-I159 PolarHBondContact O-N 3.46Å; E157-I159 VanDerWaalsContact C-N 3.35Å; E157-I159 PolarHBondContact O-N 3.26Å; I159-L161 VanDerWaalsContact C-N 3.25Å; I159-L161 PolarHBondContact O-N 3.48Å; I159-S162 PolarHBondContact O-N 3.4Å; I159-V184 HydrophobicContact CD1-CG1 3.78Å; I159-V184 HydrophobicContact CG1-CG1 3.94Å
160	K	95.1	Very high	95.7	Very high	183 Å²	183	49.5 Å²	49.5	80%	0.796	24%	0.242	S	C	*	.	H	α-helix	trans	-58.7	-38.2	178.8	-179.1	-177.2	176.7	-176.2	0	111.9	L156 E157 S162	L156-K160 WeakPolarHBondContact O-CB 3.26Å; L156-K160 PolarHBondContact O-N 2.6Å; E157-K160 WeakPolarHBondContact O-CB 3.42Å; E157-K160 PolarHBondContact O-N 3.27Å; K160-S162 PolarHBondContact O-N 2.81Å
161	L	93.6	Very high	95.7	Very high	92 Å²	92	44.2 Å²	44.2	48%	0.482	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	8.1	176.8	-64.7	176.8	0	0	0	113.5	W136 E157 G158 I159 K163	W136-L161 HydrophobicContact CH2-CD1 3.94Å; W136-L161 HydrophobicContact CZ2-CD1 4.36Å; E157-L161 HydrophobicContact CG-CD1 4.1Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 2.79Å; G158-L161 CarbonylContact O-C 3.58Å; G158-L161 PolarHBondContact O-N 3.44Å; I159-L161 VanDerWaalsContact C-N 3.25Å; I159-L161 PolarHBondContact O-N 3.48Å; L161-K163 HydrophobicContact CB-CG 4.06Å; L161-K163 PolarHBondContact O-N 3.17Å; L161-K163 VanDerWaalsContact O-N 3.16Å
162	S	93.2	Very high	95.7	Very high	108 Å²	108	44.2 Å²	44.2	76%	0.755	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	30.2	-176.3	-56.8	0	0	0	0	113.6	G158 I159 K160	G158-S162 PolarHBondContact O-N 2.99Å; I159-S162 PolarHBondContact O-N 3.4Å; K160-S162 PolarHBondContact O-N 2.81Å
163	K	93.9	Very high	95.5	Very high	51 Å²	51	41.9 Å²	41.9	22%	0.222	21%	0.21	C	C	.	.			trans	-76.9	149.5	172.4	-65.4	-65.3	-172.8	178.7	0	110.1	K131 A133 W136 G158 L161	K131-K163 WeakPolarHBondContact O-CE 3.33Å; K131-K163 PolarHBondContact O-NZ 2.9Å; A133-K163 PolarHBondContact O-NZ 3.19Å; W136-K163 HydrophobicContact CD2-CB 4.32Å; W136-K163 HydrophobicContact CD2-CG 4.35Å; W136-K163 HydrophobicContact CH2-CG 4.47Å; W136-K163 HydrophobicContact CZ2-CG 3.87Å; G158-K163 WeakPolarHBondContact O-CB 3.39Å; G158-K163 PolarHBondContact O-N 3.32Å; L161-K163 HydrophobicContact CB-CG 4.06Å; L161-K163 PolarHBondContact O-N 3.17Å; L161-K163 VanDerWaalsContact O-N 3.16Å
164	R	96.7	Very high	95.1	Very high	104 Å²	104	38.9 Å²	38.9	39%	0.392	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.4	166.8	-73.3	171.2	172.6	92.2	-7.1	108.5	D134 V135 W136 T202 L203	D134-R164 WeakPolarHBondContact O-CB 3.43Å; V135-R164 CarbonylContact C-O 3.57Å; V135-R164 WeakPolarHBondContact CA-O 3.49Å; V135-R164 HydrophobicContact CB-CB 4.45Å; V135-R164 HydrophobicContact CG1-CB 4.46Å; V135-R164 HydrophobicContact CG2-CB 3.95Å; W136-R164 PolarHBondContact N-O 3.04Å; R164-T202 HydrophobicContact CB-CG2 3.87Å; R164-T202 WeakPolarHBondContact CD-O 3.46Å; R164-T202 HydrophobicContact CG-CG2 4.36Å; R164-T202 PolarHBondContact NE-O 3.01Å; R164-T202 VanDerWaalsContact NE-O 3.1Å; R164-L203 PolarHBondContact NE-O 3.03Å; R164-L203 PolarHBondContact NH2-O 3.03Å
165	V	97.8	Very high	94.8	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.03	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.6	-174.3	-179.2	0	0	0	0	110	W136 L138 V155 V184 S185	W136-V165 WeakPolarHBondContact O-CA 3.47Å; L138-V165 HydrophobicContact CD1-CG1 3.89Å; L138-V165 HydrophobicContact CG-CG1 4.31Å; V155-V165 HydrophobicContact CG2-CG1 4.42Å; V165-V184 HydrophobicContact CB-CB 4.31Å; V165-V184 HydrophobicContact CB-CG1 4.08Å; V165-V184 HydrophobicContact CG1-CB 4.47Å; V165-V184 HydrophobicContact CG1-CG1 4.4Å; V165-S185 PolarHBondContact O-N 3.08Å; V165-S185 VanDerWaalsContact O-N 3.12Å
166	V	98.3	Very high	94.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	112	167.4	-178.8	0	0	0	0	107.9	V135 W136 V137 L138 S185 I187 I195 V198 V199 T202	V135-V166 HydrophobicContact CG1-CG2 3.95Å; W136-V166 PolarHBondContact O-N 3.15Å; V137-V166 WeakPolarHBondContact CA-O 3.33Å; V137-V166 HydrophobicContact CG2-CB 4.2Å; L138-V166 PolarHBondContact N-O 2.98Å; V166-S185 CarbonylContact C-O 3.4Å; V166-S185 WeakPolarHBondContact CA-O 3.45Å; V166-I187 HydrophobicContact CG1-CG2 4Å; V166-I195 HydrophobicContact CG1-CD1 4.05Å; V166-V198 HydrophobicContact CB-CG1 4.45Å; V166-V198 HydrophobicContact CG1-CG1 3.59Å; V166-V198 HydrophobicContact CG2-CG1 3.99Å; V166-V199 HydrophobicContact CG2-CG2 4.29Å; V166-T202 HydrophobicContact CG2-CG2 4.21Å
167	A	97.9	Very high	94	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	116.8	172.8	0	0	0	0	0	110	F151 L181 V184 S185 V186 I187	F151-A167 HydrophobicContact CE2-CB 4.32Å; F151-A167 HydrophobicContact CZ-CB 3.81Å; A167-L181 HydrophobicContact CB-CD2 3.59Å; A167-V184 HydrophobicContact CB-CG2 4.17Å; A167-S185 PolarHBondContact N-O 3.33Å; A167-V186 HydrophobicContact CB-CG2 4.22Å; A167-V186 WeakPolarHBondContact O-CA 3.38Å; A167-I187 PolarHBondContact O-N 3.18Å
168	A	97.2	Very high	93.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	161.3	-177.1	0	0	0	0	0	112.8	M65 V137 L138 N139 S140 P172 I187	M65-A168 HydrophobicContact CE-CB 4.05Å; M65-A168 HydrophobicContact SD-CB 4.08Å; V137-A168 HydrophobicContact CG1-CB 4.42Å; L138-A168 PolarHBondContact O-N 3.21Å; N139-A168 HydrophobicContact CB-CB 4.19Å; S140-A168 WeakPolarHBondContact CB-O 3.31Å; S140-A168 PolarHBondContact N-O 3.5Å; S140-A168 PolarHBondContact OG-O 3.28Å; A168-P172 VanDerWaalsContact C-CG 3.4Å; A168-P172 WeakPolarHBondContact O-CD 3.49Å; A168-P172 WeakPolarHBondContact O-CG 3.3Å; A168-I187 CarbonylContact C-O 3.59Å; A168-I187 VanDerWaalsContact CA-O 3.3Å; A168-I187 WeakPolarHBondContact CA-O 3.25Å; A168-I187 HydrophobicContact CB-CG2 3.34Å
169	G	95	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.5	-147	164.8	0	0	0	0	0	115.8	N139 P172 Q173 I187 V189	N139-G169 WeakPolarHBondContact OD1-CA 3.45Å; N139-G169 PolarHBondContact OD1-N 2.98Å; G169-P172 WeakPolarHBondContact O-CD 3.36Å; G169-P172 WeakPolarHBondContact O-CG 3.43Å; G169-Q173 WeakPolarHBondContact O-CB 3.33Å; G169-Q173 PolarHBondContact O-N 3.42Å; G169-I187 PolarHBondContact N-O 2.72Å; G169-I187 VanDerWaalsContact N-O 3.14Å; G169-V189 VanDerWaalsContact C-CG1 3.43Å
170	C	93.9	Very high	93.8	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.014	23%	0.232	C	C	.	.	H	α-helix	trans	-75.1	-35.3	-164.9	-58	0	0	0	0	113.8	N58 S140 T142 S174 A269	N58-C170 PolarHBondContact ND2-SG 2.93Å; S140-C170 PolarHBondContact O-N 3.26Å; T142-C170 HydrophobicContact CG2-CB 3.67Å; C170-S174 VanDerWaalsContact O-CB 3.32Å; C170-S174 WeakPolarHBondContact O-CB 3.47Å; C170-S174 PolarHBondContact O-N 2.94Å; C170-S174 PolarHBondContact O-OG 2.97Å; C170-A269 HydrophobicContact CB-CB 3.81Å
171	V	94.2	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-54	179.9	179	0	0	0	0	111.7	S140 C141 E148 F151 Q173 S174 R175 Y180	S140-V171 VanDerWaalsContact OG-CB 3.24Å; S140-V171 WeakPolarHBondContact OG-CB 3.49Å; S140-V171 WeakPolarHBondContact OG-CG2 3.2Å; S140-V171 PolarHBondContact OG-N 3.16Å; S140-V171 VanDerWaalsContact OG-N 3.11Å; C141-V171 WeakPolarHBondContact O-CG2 3.24Å; E148-V171 HydrophobicContact CB-CG2 4.31Å; E148-V171 HydrophobicContact CG-CG1 4.25Å; E148-V171 HydrophobicContact CG-CG2 4Å; F151-V171 HydrophobicContact CD1-CB 4.2Å; F151-V171 HydrophobicContact CD1-CG1 4.22Å; F151-V171 HydrophobicContact CD1-CG2 4.2Å; F151-V171 HydrophobicContact CE1-CB 3.89Å; F151-V171 HydrophobicContact CE1-CG1 3.83Å; F151-V171 HydrophobicContact CE1-CG2 4.39Å; V171-Q173 PolarHBondContact O-N 3.05Å; V171-S174 PolarHBondContact O-N 2.89Å; V171-S174 VanDerWaalsContact O-N 3.17Å; V171-S174 PolarHBondContact O-OG 3.29Å; V171-R175 PolarHBondContact O-N 3.43Å; V171-Y180 WeakPolarHBondContact CG1-OH 3.41Å
172	P	93.5	Very high	93.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-34.8	178.1	15.2	-24.5	0	0	0	112.8	S140 A168 G169 P176 L181 V186 L211	S140-P172 WeakPolarHBondContact OG-CD 3.4Å; A168-P172 VanDerWaalsContact C-CG 3.4Å; A168-P172 WeakPolarHBondContact O-CD 3.49Å; A168-P172 WeakPolarHBondContact O-CG 3.3Å; G169-P172 WeakPolarHBondContact O-CD 3.36Å; G169-P172 WeakPolarHBondContact O-CG 3.43Å; P172-P176 VanDerWaalsContact O-CA 3.28Å; P172-P176 WeakPolarHBondContact O-CA 3.1Å; P172-P176 WeakPolarHBondContact O-CB 3.44Å; P172-P176 WeakPolarHBondContact O-CD 3.41Å; P172-L181 HydrophobicContact CB-CD1 4.25Å; P172-V186 HydrophobicContact CB-CB 4.45Å; P172-V186 HydrophobicContact CB-CG1 3.35Å; P172-V186 HydrophobicContact CB-CG2 4.42Å; P172-V186 HydrophobicContact CG-CG1 4.41Å; P172-L211 HydrophobicContact CB-CD2 4.49Å; P172-L211 WeakPolarHBondContact O-CD2 3.28Å
173	Q	92.7	Very high	93.7	Very high	17 Å²	17	34.6 Å²	34.6	8%	0.079	19%	0.189	C	C	.	.	H	α-helix	trans	-68.3	-41.3	177.6	-172.1	67.8	71.3	0	0	112.9	G169 V171 V189 L211 A269	G169-Q173 WeakPolarHBondContact O-CB 3.33Å; G169-Q173 PolarHBondContact O-N 3.42Å; V171-Q173 PolarHBondContact O-N 3.05Å; Q173-V189 HydrophobicContact CG-CG2 4.09Å; Q173-L211 PolarHBondContact NE2-O 3.48Å; Q173-A269 WeakPolarHBondContact CG-O 3.29Å
174	S	89.1	Confident	93.8	Very high	15 Å²	15	32.5 Å²	32.5	11%	0.105	18%	0.18	C	C	.	.	H	α-helix	trans	-92	-17.5	-175.3	64.5	0	0	0	0	114.4	T142 C170 V171 K265	T142-S174 PolarHBondContact OG1-OG 3.11Å; C170-S174 VanDerWaalsContact O-CB 3.32Å; C170-S174 WeakPolarHBondContact O-CB 3.47Å; C170-S174 PolarHBondContact O-N 2.94Å; C170-S174 PolarHBondContact O-OG 2.97Å; V171-S174 PolarHBondContact O-N 2.89Å; V171-S174 VanDerWaalsContact O-N 3.17Å; V171-S174 PolarHBondContact O-OG 3.29Å; S174-K265 PolarHBondContact O-NZ 3.05Å
175	R	89.6	Confident	93.9	Very high	100 Å²	100	27.6 Å²	27.6	38%	0.377	16%	0.162	S	C	.	.			trans	-144.2	63.7	177.8	-163.2	-175.5	175.5	179.4	0.2	111.1	E148 V171 G177 A178	E148-R175 IonicContact OE1-NH1 3.27Å; V171-R175 PolarHBondContact O-N 3.43Å; R175-G177 PolarHBondContact O-N 3.2Å; R175-G177 VanDerWaalsContact O-N 3.15Å; R175-A178 HydrophobicContact CG-CB 4.02Å; R175-A178 PolarHBondContact O-N 2.84Å
176	P	88.5	Confident	93.8	Very high	50 Å²	50	27.3 Å²	27.3	33%	0.325	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.6	-179.3	26.8	-35.6	0	0	0	113.2	P172 A178 R209 L211	P172-P176 VanDerWaalsContact O-CA 3.28Å; P172-P176 WeakPolarHBondContact O-CA 3.1Å; P172-P176 WeakPolarHBondContact O-CB 3.44Å; P172-P176 WeakPolarHBondContact O-CD 3.41Å; P176-A178 VanDerWaalsContact C-N 3.33Å; P176-A178 PolarHBondContact O-N 3.44Å; P176-R209 PolarHBondContact O-NH2 3.08Å; P176-L211 HydrophobicContact CB-CD1 3.41Å; P176-L211 VanDerWaalsContact CB-CD1 3.41Å; P176-L211 HydrophobicContact CB-CD2 4.47Å; P176-L211 HydrophobicContact CG-CD1 4.3Å
177	G	89.1	Confident	93.7	Very high	60 Å²	60	27.3 Å²	27.3	62%	0.619	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	2.3	178.2	0	0	0	0	0	115.7	R175 D179	R175-G177 PolarHBondContact O-N 3.2Å; R175-G177 VanDerWaalsContact O-N 3.15Å; G177-D179 PolarHBondContact O-N 3.49Å
178	A	91.7	Very high	93.5	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.008	16%	0.16	C	C	.	.			trans	-58.4	134.5	-178.8	0	0	0	0	0	111.7	R175 P176 Y180 L181	R175-A178 HydrophobicContact CG-CB 4.02Å; R175-A178 PolarHBondContact O-N 2.84Å; P176-A178 VanDerWaalsContact C-N 3.33Å; P176-A178 PolarHBondContact O-N 3.44Å; A178-Y180 VanDerWaalsContact C-N 3.31Å; A178-Y180 HydrophobicContact CB-CD1 4.1Å; A178-Y180 HydrophobicContact CB-CE1 3.69Å; A178-Y180 HydrophobicContact CB-CE2 4.43Å; A178-Y180 PolarHBondContact O-N 3.26Å; A178-L181 HydrophobicContact CB-CD1 4.07Å; A178-L181 HydrophobicContact CB-CG 4.1Å; A178-L181 WeakPolarHBondContact O-CB 3.41Å; A178-L181 PolarHBondContact O-N 2.71Å
179	D	93.8	Very high	93.2	Very high	104 Å²	104	27.6 Å²	27.6	56%	0.556	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-61	-38.8	-172.3	-69.7	-48.6	0	0	0	113.5	G177 L181 K182	G177-D179 PolarHBondContact O-N 3.49Å; D179-L181 PolarHBondContact O-N 3.43Å; D179-K182 VanDerWaalsContact O-CB 3.25Å; D179-K182 WeakPolarHBondContact O-CB 3.32Å; D179-K182 WeakPolarHBondContact O-CG 3.46Å; D179-K182 PolarHBondContact O-N 3.02Å; D179-K182 WeakPolarHBondContact OD1-CE 3.27Å; D179-K182 IonicContact OD1-NZ 3.98Å; D179-K182 PolarHBondContact OD1-NZ 3.37Å
180	Y	94.5	Very high	92.9	Very high	26 Å²	26	28.4 Å²	28.4	10%	0.102	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-69	-10	177.3	63.1	-97.5	0	0	0	113.4	E148 F151 R152 V155 V171 A178	E148-Y180 PolarHBondContact OE1-OH 3.49Å; F151-Y180 HydrophobicContact CD1-CE2 4.3Å; F151-Y180 AromaticContact CE1-CE2 3.86Å; F151-Y180 HydrophobicContact CE1-CE2 3.86Å; R152-Y180 HydrophobicContact CB-CD1 4.44Å; R152-Y180 HydrophobicContact CB-CD2 4.3Å; R152-Y180 HydrophobicContact CB-CE1 4.26Å; R152-Y180 HydrophobicContact CB-CE2 4.13Å; R152-Y180 HydrophobicContact CB-CG 4.46Å; R152-Y180 HydrophobicContact CG-CD1 3.71Å; R152-Y180 HydrophobicContact CG-CD2 4.04Å; R152-Y180 HydrophobicContact CG-CE1 3.97Å; R152-Y180 HydrophobicContact CG-CE2 4.3Å; R152-Y180 HydrophobicContact CG-CG 3.74Å; V155-Y180 HydrophobicContact CB-CD2 4.49Å; V155-Y180 HydrophobicContact CG1-CD2 4.36Å; V155-Y180 VanDerWaalsContact CG1-O 3.28Å; V155-Y180 WeakPolarHBondContact CG1-O 3.26Å; V171-Y180 WeakPolarHBondContact CG1-OH 3.41Å; A178-Y180 VanDerWaalsContact C-N 3.31Å; A178-Y180 HydrophobicContact CB-CD1 4.1Å; A178-Y180 HydrophobicContact CB-CE1 3.69Å; A178-Y180 HydrophobicContact CB-CE2 4.43Å; A178-Y180 PolarHBondContact O-N 3.26Å
181	L	95.4	Very high	92.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-94.1	3.8	171.7	-59.2	-179.1	0	0	0	112.8	F151 A167 P172 A178 D179 G183 V184	F151-L181 HydrophobicContact CE1-CD2 4.28Å; F151-L181 HydrophobicContact CZ-CD2 4.13Å; A167-L181 HydrophobicContact CB-CD2 3.59Å; P172-L181 HydrophobicContact CB-CD1 4.25Å; A178-L181 HydrophobicContact CB-CD1 4.07Å; A178-L181 HydrophobicContact CB-CG 4.1Å; A178-L181 WeakPolarHBondContact O-CB 3.41Å; A178-L181 PolarHBondContact O-N 2.71Å; D179-L181 PolarHBondContact O-N 3.43Å; L181-G183 PolarHBondContact O-N 3.37Å; L181-V184 HydrophobicContact CB-CG2 4.2Å; L181-V184 HydrophobicContact CD2-CG2 4.02Å; L181-V184 WeakPolarHBondContact O-CG2 3.28Å
182	K	93	Very high	92.7	Very high	140 Å²	140	29.2 Å²	29.2	61%	0.609	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	120	176	-72.3	173.2	173	166.6	0	109.9	D179	D179-K182 VanDerWaalsContact O-CB 3.25Å; D179-K182 WeakPolarHBondContact O-CB 3.32Å; D179-K182 WeakPolarHBondContact O-CG 3.46Å; D179-K182 PolarHBondContact O-N 3.02Å; D179-K182 WeakPolarHBondContact OD1-CE 3.27Å; D179-K182 IonicContact OD1-NZ 3.98Å; D179-K182 PolarHBondContact OD1-NZ 3.37Å
183	G	92.6	Very high	92.7	Very high	51 Å²	51	32 Å²	32	53%	0.526	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	5.1	175.3	0	0	0	0	0	115.2	L181 V207	L181-G183 PolarHBondContact O-N 3.37Å; G183-V207 WeakPolarHBondContact O-CG2 3.45Å
184	V	96	Very high	92.8	Very high	7 Å²	7	35 Å²	35	4%	0.042	20%	0.195	C	C	.	.	S	Bend	trans	-101.7	148.8	167	-54.7	0	0	0	0	109.4	V155 I159 V165 A167 L181 V186 V207	V155-V184 HydrophobicContact CG1-CG1 4.2Å; I159-V184 HydrophobicContact CD1-CG1 3.78Å; I159-V184 HydrophobicContact CG1-CG1 3.94Å; V165-V184 HydrophobicContact CB-CB 4.31Å; V165-V184 HydrophobicContact CB-CG1 4.08Å; V165-V184 HydrophobicContact CG1-CB 4.47Å; V165-V184 HydrophobicContact CG1-CG1 4.4Å; A167-V184 HydrophobicContact CB-CG2 4.17Å; L181-V184 HydrophobicContact CB-CG2 4.2Å; L181-V184 HydrophobicContact CD2-CG2 4.02Å; L181-V184 WeakPolarHBondContact O-CG2 3.28Å; V184-V186 HydrophobicContact CG2-CG2 4.39Å; V184-V207 WeakPolarHBondContact O-CG1 3.49Å
185	S	98.1	Very high	93.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	149	173.5	-73	0	0	0	0	110.1	V165 V166 A167 T202 N206 V208	V165-S185 PolarHBondContact O-N 3.08Å; V165-S185 VanDerWaalsContact O-N 3.12Å; V166-S185 CarbonylContact C-O 3.4Å; V166-S185 WeakPolarHBondContact CA-O 3.45Å; A167-S185 PolarHBondContact N-O 3.33Å; S185-T202 WeakPolarHBondContact CB-OG1 3.48Å; S185-T202 PolarHBondContact OG-OG1 2.81Å; S185-N206 PolarHBondContact OG-O 3.01Å; S185-V208 CarbonylContact C-O 3.52Å; S185-V208 VanDerWaalsContact CA-O 3.27Å; S185-V208 WeakPolarHBondContact CA-O 3.44Å; S185-V208 PolarHBondContact OG-N 2.94Å; S185-V208 VanDerWaalsContact OG-N 3.08Å
186	V	96.8	Very high	93.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	132.9	-170.8	167.1	0	0	0	0	111	A167 P172 V184 V208 R209 F210 L211	A167-V186 HydrophobicContact CB-CG2 4.22Å; A167-V186 WeakPolarHBondContact O-CA 3.38Å; P172-V186 HydrophobicContact CB-CB 4.45Å; P172-V186 HydrophobicContact CB-CG1 3.35Å; P172-V186 HydrophobicContact CB-CG2 4.42Å; P172-V186 HydrophobicContact CG-CG1 4.41Å; V184-V186 HydrophobicContact CG2-CG2 4.39Å; V186-V208 PolarHBondContact N-O 3.46Å; V186-R209 HydrophobicContact CB-CG 4.42Å; V186-R209 WeakPolarHBondContact O-CA 3.24Å; V186-F210 PolarHBondContact O-N 3.15Å; V186-L211 HydrophobicContact CG1-CD1 4.22Å; V186-L211 HydrophobicContact CG1-CD2 3.59Å; V186-L211 HydrophobicContact CG1-CG 3.98Å
187	I	95.4	Very high	93.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.4	174.8	-166.5	169.9	0	0	0	110.3	V166 A167 A168 G169 Q191 I192 I195 V198 F210	V166-I187 HydrophobicContact CG1-CG2 4Å; A167-I187 PolarHBondContact O-N 3.18Å; A168-I187 CarbonylContact C-O 3.59Å; A168-I187 VanDerWaalsContact CA-O 3.3Å; A168-I187 WeakPolarHBondContact CA-O 3.25Å; A168-I187 HydrophobicContact CB-CG2 3.34Å; G169-I187 PolarHBondContact N-O 2.72Å; G169-I187 VanDerWaalsContact N-O 3.14Å; I187-Q191 VanDerWaalsContact CD1-O 3.25Å; I187-Q191 WeakPolarHBondContact CD1-O 3.19Å; I187-Q191 WeakPolarHBondContact CG1-O 3.49Å; I187-I192 HydrophobicContact CG1-CG2 4.48Å; I187-I195 HydrophobicContact CD1-CB 4.07Å; I187-I195 HydrophobicContact CD1-CD1 4.07Å; I187-I195 HydrophobicContact CG2-CD1 4.33Å; I187-V198 HydrophobicContact CB-CG2 4.45Å; I187-V198 HydrophobicContact CD1-CG2 3.98Å; I187-V198 HydrophobicContact CG1-CG2 4.45Å; I187-F210 CarbonylContact C-O 3.59Å; I187-F210 WeakPolarHBondContact CA-O 3.32Å
188	G	92.9	Very high	94.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	163.4	178.6	0	0	0	0	0	112.7	H190 Q191 I192 F210	G188-H190 PolarHBondContact O-N 2.86Å; G188-H190 VanDerWaalsContact O-N 3.08Å; G188-Q191 PolarHBondContact O-N 3.47Å; G188-Q191 VanDerWaalsContact O-N 3.09Å; G188-I192 WeakPolarHBondContact O-CG2 3.43Å; G188-I192 PolarHBondContact O-N 2.66Å; G188-F210 PolarHBondContact N-O 2.95Å
189	V	91.5	Very high	94.5	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.036	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.6	-175.7	-58.8	0	0	0	0	114.1	G169 Q173 I192 A269 R270	G169-V189 VanDerWaalsContact C-CG1 3.43Å; Q173-V189 HydrophobicContact CG-CG2 4.09Å; V189-I192 WeakPolarHBondContact O-CG1 3.34Å; V189-A269 WeakPolarHBondContact CG2-O 3.49Å; V189-R270 HydrophobicContact CG1-CG 4.44Å; V189-R270 HydrophobicContact CG2-CG 4.14Å
190	H	88.7	Confident	94.6	Very high	16 Å²	16	26.6 Å²	26.6	7%	0.074	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-6.5	-177.4	-58.4	-64	0	0	0	114.2	G188 K214 R270	G188-H190 PolarHBondContact O-N 2.86Å; G188-H190 VanDerWaalsContact O-N 3.08Å; H190-K214 WeakPolarHBondContact O-CE 3.18Å; H190-R270 PolarHBondContact CE1-O 3.34Å; H190-R270 VanDerWaalsContact CE1-O 3.32Å
191	Q	91.6	Very high	94.8	Very high	19 Å²	19	27.4 Å²	27.4	9%	0.089	14%	0.141	C	C	.	.			trans	-128.6	15.3	-174	-59.9	-169.5	-76.3	0	0	112.6	I187 G188 D193 R194 F210	I187-Q191 VanDerWaalsContact CD1-O 3.25Å; I187-Q191 WeakPolarHBondContact CD1-O 3.19Å; I187-Q191 WeakPolarHBondContact CG1-O 3.49Å; G188-Q191 PolarHBondContact O-N 3.47Å; G188-Q191 VanDerWaalsContact O-N 3.09Å; Q191-D193 VanDerWaalsContact CA-OD1 3.28Å; Q191-D193 WeakPolarHBondContact CA-OD1 3.33Å; Q191-D193 PolarHBondContact O-N 3.28Å; Q191-D193 VanDerWaalsContact O-N 3.15Å; Q191-R194 WeakPolarHBondContact O-CB 3.38Å; Q191-R194 PolarHBondContact O-N 3.3Å; Q191-F210 HydrophobicContact CB-CB 4.13Å; Q191-F210 VanDerWaalsContact OE1-CA 3.23Å; Q191-F210 VanDerWaalsContact OE1-CB 3.25Å
192	I	92.3	Very high	94.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-60.8	-18.7	179.1	48.4	174.4	0	0	0	113.7	D61 M65 I187 G188 V189 R194 I195 I235	D61-I192 HydrophobicContact CB-CD1 3.55Å; D61-I192 VanDerWaalsContact CG-CD1 3.47Å; D61-I192 VanDerWaalsContact OD1-CD1 3.28Å; D61-I192 WeakPolarHBondContact OD1-CD1 3.42Å; M65-I192 HydrophobicContact CG-CB 3.98Å; M65-I192 HydrophobicContact CG-CG2 4.43Å; M65-I192 HydrophobicContact SD-CB 4.09Å; M65-I192 HydrophobicContact SD-CG2 3.9Å; I187-I192 HydrophobicContact CG1-CG2 4.48Å; G188-I192 WeakPolarHBondContact O-CG2 3.43Å; G188-I192 PolarHBondContact O-N 2.66Å; V189-I192 WeakPolarHBondContact O-CG1 3.34Å; I192-R194 PolarHBondContact O-N 2.76Å; I192-I195 WeakPolarHBondContact O-CB 3.25Å; I192-I195 PolarHBondContact O-N 2.84Å; I192-I235 HydrophobicContact CB-CD1 4.5Å; I192-I235 HydrophobicContact CD1-CD1 3.11Å; I192-I235 HydrophobicContact CD1-CG1 3.7Å; I192-I235 HydrophobicContact CG1-CD1 3.36Å; I192-I235 HydrophobicContact CG1-CG1 3.52Å
193	D	93.1	Very high	94.9	Very high	57 Å²	57	22 Å²	22	31%	0.305	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-64.2	-18.2	168.7	56.4	-24.2	0	0	0	113.6	L68 Q191 K214 I235 L239	L68-D193 HydrophobicContact CD1-CB 4.49Å; Q191-D193 VanDerWaalsContact CA-OD1 3.28Å; Q191-D193 WeakPolarHBondContact CA-OD1 3.33Å; Q191-D193 PolarHBondContact O-N 3.28Å; Q191-D193 VanDerWaalsContact O-N 3.15Å; D193-K214 IonicContact OD2-NZ 3.59Å; D193-I235 HydrophobicContact CB-CG2 4.15Å; D193-L239 HydrophobicContact CB-CD1 3.95Å
194	R	94.8	Very high	95	Very high	80 Å²	80	24.1 Å²	24.1	30%	0.302	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-93.1	14.7	176.1	-58.3	-176.8	66.9	-177.5	5.9	114	Q191 I192 V196 E197 V198 F210	Q191-R194 WeakPolarHBondContact O-CB 3.38Å; Q191-R194 PolarHBondContact O-N 3.3Å; I192-R194 PolarHBondContact O-N 2.76Å; R194-V196 PolarHBondContact O-N 3.15Å; R194-E197 IonicContact CZ-OE1 3.56Å; R194-E197 IonicContact CZ-OE2 3.85Å; R194-E197 IonicContact NE-OE2 3.28Å; R194-E197 PolarHBondContact NE-OE2 3.37Å; R194-E197 IonicContact NH2-OE1 3.86Å; R194-E197 PolarHBondContact NH2-OE1 3.36Å; R194-E197 IonicContact NH2-OE2 3.63Å; R194-E197 PolarHBondContact NH2-OE2 2.91Å; R194-E197 PolarHBondContact O-N 2.95Å; R194-V198 PolarHBondContact O-N 3.09Å; R194-F210 HydrophobicContact CB-CD2 3.88Å; R194-F210 HydrophobicContact CB-CE2 4.01Å
195	I	96.9	Very high	94.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.9	-35.1	-174.9	-172.8	59.3	0	0	0	113.5	M65 L68 L69 V137 V166 I187 I192 V198 V199	M65-I195 HydrophobicContact CB-CB 4.28Å; M65-I195 HydrophobicContact CB-CG1 4.13Å; M65-I195 HydrophobicContact CB-CG2 4.04Å; M65-I195 HydrophobicContact CG-CB 3.91Å; M65-I195 HydrophobicContact CG-CG1 4.05Å; M65-I195 HydrophobicContact CG-CG2 4.03Å; M65-I195 HydrophobicContact SD-CB 4.27Å; M65-I195 HydrophobicContact SD-CD1 3.92Å; M65-I195 HydrophobicContact SD-CG1 4.02Å; L68-I195 HydrophobicContact CB-CG2 4.02Å; L68-I195 HydrophobicContact CD1-CG2 4.18Å; L69-I195 HydrophobicContact CD1-CG1 4.04Å; L69-I195 HydrophobicContact CD2-CG1 4.36Å; L69-I195 HydrophobicContact CD2-CG2 4.48Å; L69-I195 HydrophobicContact CG-CG1 4.27Å; L69-I195 HydrophobicContact CG-CG2 4.13Å; V137-I195 HydrophobicContact CG1-CD1 4.02Å; V137-I195 HydrophobicContact CG2-CD1 4.23Å; V166-I195 HydrophobicContact CG1-CD1 4.05Å; I187-I195 HydrophobicContact CD1-CB 4.07Å; I187-I195 HydrophobicContact CD1-CD1 4.07Å; I187-I195 HydrophobicContact CG2-CD1 4.33Å; I192-I195 WeakPolarHBondContact O-CB 3.25Å; I192-I195 PolarHBondContact O-N 2.84Å; I195-V198 PolarHBondContact O-N 2.9Å; I195-V199 HydrophobicContact CD1-CG2 4.07Å; I195-V199 HydrophobicContact CG1-CG2 4.17Å; I195-V199 WeakPolarHBondContact O-CB 3.33Å; I195-V199 WeakPolarHBondContact O-CG2 3.43Å; I195-V199 PolarHBondContact O-N 3.08Å
196	V	96.8	Very high	94.8	Very high	24 Å²	24	26.8 Å²	26.8	15%	0.145	14%	0.137	C	C	.	.	H	α-helix	trans	-60.5	-49.4	-179.8	174.9	0	0	0	0	110.6	L68 L69 Y72 Y74 R194 V198 V199 E200	L68-V196 HydrophobicContact CB-CG2 4.14Å; L69-V196 HydrophobicContact CD2-CG2 4.26Å; Y72-V196 HydrophobicContact CD1-CG1 3.69Å; Y72-V196 HydrophobicContact CD2-CG1 3.53Å; Y72-V196 HydrophobicContact CE1-CG1 3.94Å; Y72-V196 HydrophobicContact CE2-CG1 3.78Å; Y72-V196 HydrophobicContact CG-CG1 3.46Å; Y72-V196 VanDerWaalsContact CG-CG1 3.46Å; Y72-V196 HydrophobicContact CG-CG2 4.42Å; Y74-V196 HydrophobicContact CE2-CG1 4.41Å; R194-V196 PolarHBondContact O-N 3.15Å; V196-V198 VanDerWaalsContact C-N 3.34Å; V196-V198 PolarHBondContact O-N 3.45Å; V196-V199 PolarHBondContact O-N 2.92Å; V196-E200 WeakPolarHBondContact O-CB 3.1Å; V196-E200 PolarHBondContact O-N 3.29Å
197	E	96.1	Very high	94.7	Very high	69 Å²	69	28.4 Å²	28.4	32%	0.322	15%	0.147	S	C	.	.	H	α-helix	trans	-60.3	-44.2	177.6	-177.6	-175.8	173.1	0	0	111.1	R194 V199 E200 E201 F210	R194-E197 IonicContact CZ-OE1 3.56Å; R194-E197 IonicContact CZ-OE2 3.85Å; R194-E197 IonicContact NE-OE2 3.28Å; R194-E197 PolarHBondContact NE-OE2 3.37Å; R194-E197 IonicContact NH2-OE1 3.86Å; R194-E197 PolarHBondContact NH2-OE1 3.36Å; R194-E197 IonicContact NH2-OE2 3.63Å; R194-E197 PolarHBondContact NH2-OE2 2.91Å; R194-E197 PolarHBondContact O-N 2.95Å; E197-V199 PolarHBondContact O-N 3.03Å; E197-E200 PolarHBondContact O-N 3.08Å; E197-E201 WeakPolarHBondContact O-CB 3.45Å; E197-E201 WeakPolarHBondContact O-CG 3.4Å; E197-E201 PolarHBondContact O-N 3.2Å; E197-F210 HydrophobicContact CB-CE2 4.49Å; E197-F210 HydrophobicContact CG-CE2 4.19Å; E197-F210 HydrophobicContact CG-CZ 4.3Å; E197-F210 WeakPolarHBondContact OE1-CZ 3.22Å
198	V	97	Very high	94.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.7	-43.1	178.8	179.3	0	0	0	0	111.1	V166 I187 R194 I195 V196 T202 V208 F210	V166-V198 HydrophobicContact CB-CG1 4.45Å; V166-V198 HydrophobicContact CG1-CG1 3.59Å; V166-V198 HydrophobicContact CG2-CG1 3.99Å; I187-V198 HydrophobicContact CB-CG2 4.45Å; I187-V198 HydrophobicContact CD1-CG2 3.98Å; I187-V198 HydrophobicContact CG1-CG2 4.45Å; R194-V198 PolarHBondContact O-N 3.09Å; I195-V198 PolarHBondContact O-N 2.9Å; V196-V198 VanDerWaalsContact C-N 3.34Å; V196-V198 PolarHBondContact O-N 3.45Å; V198-T202 VanDerWaalsContact O-CB 3.29Å; V198-T202 WeakPolarHBondContact O-CB 3.07Å; V198-T202 PolarHBondContact O-N 2.99Å; V198-T202 PolarHBondContact O-OG1 3.05Å; V198-V208 HydrophobicContact CG1-CB 4.4Å; V198-V208 HydrophobicContact CG2-CG1 4.08Å; V198-F210 HydrophobicContact CG2-CD2 3.37Å; V198-F210 HydrophobicContact CG2-CE2 3.52Å; V198-F210 HydrophobicContact CG2-CG 4.34Å
199	V	97.5	Very high	94.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.8	-44.7	178.7	167.3	0	0	0	0	111.2	V48 L69 Y74 V135 V137 V166 I195 V196 E197 T202 L203	V48-V199 HydrophobicContact CG2-CG1 4.07Å; L69-V199 HydrophobicContact CD2-CB 4.03Å; L69-V199 HydrophobicContact CD2-CG1 4.24Å; L69-V199 HydrophobicContact CD2-CG2 3.85Å; Y74-V199 HydrophobicContact CE1-CG1 4.22Å; Y74-V199 HydrophobicContact CE2-CG1 4.25Å; V135-V199 HydrophobicContact CG2-CG1 4.42Å; V137-V199 HydrophobicContact CG2-CG2 3.94Å; V166-V199 HydrophobicContact CG2-CG2 4.29Å; I195-V199 HydrophobicContact CD1-CG2 4.07Å; I195-V199 HydrophobicContact CG1-CG2 4.17Å; I195-V199 WeakPolarHBondContact O-CB 3.33Å; I195-V199 WeakPolarHBondContact O-CG2 3.43Å; I195-V199 PolarHBondContact O-N 3.08Å; V196-V199 PolarHBondContact O-N 2.92Å; E197-V199 PolarHBondContact O-N 3.03Å; V199-T202 PolarHBondContact O-N 3.26Å; V199-L203 HydrophobicContact CG1-CD1 4.06Å; V199-L203 WeakPolarHBondContact O-CG 3.32Å; V199-L203 PolarHBondContact O-N 3.44Å
200	E	96.5	Very high	94.8	Very high	62 Å²	62	32.4 Å²	32.4	29%	0.29	16%	0.162	S	C	.	.	H	α-helix	trans	-60.8	-48.4	179.9	-172.7	174.8	-177	0	0	111.8	Y72 V196 E197 T202 L203 Q204	Y72-E200 PolarHBondContact OH-OE2 2.96Å; V196-E200 WeakPolarHBondContact O-CB 3.1Å; V196-E200 PolarHBondContact O-N 3.29Å; E197-E200 PolarHBondContact O-N 3.08Å; E200-T202 VanDerWaalsContact C-N 3.32Å; E200-T202 PolarHBondContact O-N 3.05Å; E200-L203 WeakPolarHBondContact O-CB 3.24Å; E200-L203 PolarHBondContact O-N 3.43Å; E200-Q204 WeakPolarHBondContact O-CG 3.27Å; E200-Q204 PolarHBondContact O-N 3.18Å; E200-Q204 VanDerWaalsContact O-N 3.14Å
201	E	96.9	Very high	94.8	Very high	43 Å²	43	33.1 Å²	33.1	20%	0.201	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-38.1	176.1	-72.5	-62.7	133.6	0	0	112.1	E197 L203 Q204 G205 N206 V208	E197-E201 WeakPolarHBondContact O-CB 3.45Å; E197-E201 WeakPolarHBondContact O-CG 3.4Å; E197-E201 PolarHBondContact O-N 3.2Å; E201-L203 VanDerWaalsContact C-N 3.34Å; E201-L203 PolarHBondContact O-N 3.03Å; E201-Q204 PolarHBondContact O-N 2.98Å; E201-G205 PolarHBondContact O-N 3.42Å; E201-N206 HydrophobicContact CB-CB 4.23Å; E201-N206 WeakPolarHBondContact O-CB 3.5Å; E201-N206 PolarHBondContact O-N 2.75Å; E201-N206 PolarHBondContact OE2-ND2 3.45Å; E201-V208 HydrophobicContact CB-CG2 3.34Å; E201-V208 HydrophobicContact CG-CG2 3.85Å
202	T	97	Very high	94.3	Very high	8 Å²	8	36.2 Å²	36.2	5%	0.049	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-37.9	177.2	-52	0	0	0	0	111.3	R164 V166 S185 V198 V199 E200 Q204 G205 N206	R164-T202 HydrophobicContact CB-CG2 3.87Å; R164-T202 WeakPolarHBondContact CD-O 3.46Å; R164-T202 HydrophobicContact CG-CG2 4.36Å; R164-T202 PolarHBondContact NE-O 3.01Å; R164-T202 VanDerWaalsContact NE-O 3.1Å; V166-T202 HydrophobicContact CG2-CG2 4.21Å; S185-T202 WeakPolarHBondContact CB-OG1 3.48Å; S185-T202 PolarHBondContact OG-OG1 2.81Å; V198-T202 VanDerWaalsContact O-CB 3.29Å; V198-T202 WeakPolarHBondContact O-CB 3.07Å; V198-T202 PolarHBondContact O-N 2.99Å; V198-T202 PolarHBondContact O-OG1 3.05Å; V199-T202 PolarHBondContact O-N 3.26Å; E200-T202 VanDerWaalsContact C-N 3.32Å; E200-T202 PolarHBondContact O-N 3.05Å; T202-Q204 VanDerWaalsContact C-N 3.27Å; T202-Q204 PolarHBondContact O-N 3.31Å; T202-G205 PolarHBondContact O-N 2.84Å; T202-N206 WeakPolarHBondContact CA-O 3.03Å
203	L	95.4	Very high	93.3	Very high	17 Å²	17	42.2 Å²	42.2	9%	0.089	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-38.4	172.1	-79.1	169.5	0	0	0	112	F46 Y74 D134 V135 R164 V199 E200 E201 G205	F46-L203 HydrophobicContact CB-CD1 4.04Å; F46-L203 HydrophobicContact CD1-CD1 4.07Å; F46-L203 HydrophobicContact CD1-CD2 3.56Å; F46-L203 HydrophobicContact CD1-CG 4.44Å; F46-L203 HydrophobicContact CD2-CD1 4.05Å; F46-L203 HydrophobicContact CE1-CD2 3.9Å; F46-L203 HydrophobicContact CG-CD1 3.78Å; F46-L203 HydrophobicContact CG-CD2 4.12Å; Y74-L203 HydrophobicContact CE1-CD1 3.65Å; D134-L203 HydrophobicContact CB-CD2 4.02Å; V135-L203 HydrophobicContact CG2-CD1 4.35Å; V135-L203 HydrophobicContact CG2-CD2 3.33Å; V135-L203 HydrophobicContact CG2-CG 3.56Å; R164-L203 PolarHBondContact NE-O 3.03Å; R164-L203 PolarHBondContact NH2-O 3.03Å; V199-L203 HydrophobicContact CG1-CD1 4.06Å; V199-L203 WeakPolarHBondContact O-CG 3.32Å; V199-L203 PolarHBondContact O-N 3.44Å; E200-L203 WeakPolarHBondContact O-CB 3.24Å; E200-L203 PolarHBondContact O-N 3.43Å; E201-L203 VanDerWaalsContact C-N 3.34Å; E201-L203 PolarHBondContact O-N 3.03Å; L203-G205 PolarHBondContact O-N 3.34Å
204	Q	94.4	Very high	91.6	Very high	97 Å²	97	42.5 Å²	42.5	45%	0.453	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-5	174.9	-63.2	176.3	43.6	0	0	113.9	E200 E201 T202	E200-Q204 WeakPolarHBondContact O-CG 3.27Å; E200-Q204 PolarHBondContact O-N 3.18Å; E200-Q204 VanDerWaalsContact O-N 3.14Å; E201-Q204 PolarHBondContact O-N 2.98Å; T202-Q204 VanDerWaalsContact C-N 3.27Å; T202-Q204 PolarHBondContact O-N 3.31Å
205	G	93.1	Very high	89.1	Confident	35 Å²	35	43.7 Å²	43.7	36%	0.361	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	7.5	180	0	0	0	0	0	114	E201 T202 L203	E201-G205 PolarHBondContact O-N 3.42Å; T202-G205 PolarHBondContact O-N 2.84Å; L203-G205 PolarHBondContact O-N 3.34Å
206	N	96.3	Very high	86.3	Confident	28 Å²	28	47.9 Å²	47.9	15%	0.15	25%	0.252	C	S	.	.			trans	-81.5	151.3	174.7	-61.6	-34.7	0	0	0	110.6	N27 S185 E201 T202	N27-N206 PolarHBondContact OD1-OD1 3.39Å; S185-N206 PolarHBondContact OG-O 3.01Å; E201-N206 HydrophobicContact CB-CB 4.23Å; E201-N206 WeakPolarHBondContact O-CB 3.5Å; E201-N206 PolarHBondContact O-N 2.75Å; E201-N206 PolarHBondContact OE2-ND2 3.45Å; T202-N206 WeakPolarHBondContact CA-O 3.03Å
207	V	95	Very high	83.3	Confident	35 Å²	35	50.4 Å²	50.4	21%	0.212	27%	0.271	C	S	.	.			trans	-107.5	113.6	173.9	177	0	0	0	0	108.1	G183 V184	G183-V207 WeakPolarHBondContact O-CG2 3.45Å; V184-V207 WeakPolarHBondContact O-CG1 3.49Å
208	V	94.1	Very high	80.2	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.018	30%	0.298	C	S	.	.			trans	-103.7	144.3	-178.6	-178.3	0	0	0	0	110	S185 V186 V198 E201 F210	S185-V208 CarbonylContact C-O 3.52Å; S185-V208 VanDerWaalsContact CA-O 3.27Å; S185-V208 WeakPolarHBondContact CA-O 3.44Å; S185-V208 PolarHBondContact OG-N 2.94Å; S185-V208 VanDerWaalsContact OG-N 3.08Å; V186-V208 PolarHBondContact N-O 3.46Å; V198-V208 HydrophobicContact CG1-CB 4.4Å; V198-V208 HydrophobicContact CG2-CG1 4.08Å; E201-V208 HydrophobicContact CB-CG2 3.34Å; E201-V208 HydrophobicContact CG-CG2 3.85Å; V208-F210 HydrophobicContact CG1-CD1 3.87Å; V208-F210 HydrophobicContact CG1-CD2 4.11Å; V208-F210 HydrophobicContact CG1-CE1 3.5Å; V208-F210 VanDerWaalsContact CG1-CE1 3.5Å; V208-F210 HydrophobicContact CG1-CE2 3.77Å; V208-F210 HydrophobicContact CG1-CG 4.14Å; V208-F210 HydrophobicContact CG1-CZ 3.41Å; V208-F210 VanDerWaalsContact CG1-CZ 3.41Å
209	R	94.9	Very high	77	Confident	86 Å²	86	61.3 Å²	61.3	33%	0.325	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	108.8	174.2	-51.4	-164.9	85.9	158.3	8.1	110.1	P176 V186	P176-R209 PolarHBondContact O-NH2 3.08Å; V186-R209 HydrophobicContact CB-CG 4.42Å; V186-R209 WeakPolarHBondContact O-CA 3.24Å
210	F	92.5	Very high	73.7	Confident	1 Å²	1	66.4 Å²	66.4	0%	0.004	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	103.8	173.9	-69	-18.8	0	0	0	108.7	T23 V186 I187 G188 Q191 R194 E197 V198 V208	T23-F210 HydrophobicContact CG2-CD1 4.4Å; T23-F210 HydrophobicContact CG2-CE1 4.16Å; V186-F210 PolarHBondContact O-N 3.15Å; I187-F210 CarbonylContact C-O 3.59Å; I187-F210 WeakPolarHBondContact CA-O 3.32Å; G188-F210 PolarHBondContact N-O 2.95Å; Q191-F210 HydrophobicContact CB-CB 4.13Å; Q191-F210 VanDerWaalsContact OE1-CA 3.23Å; Q191-F210 VanDerWaalsContact OE1-CB 3.25Å; R194-F210 HydrophobicContact CB-CD2 3.88Å; R194-F210 HydrophobicContact CB-CE2 4.01Å; E197-F210 HydrophobicContact CB-CE2 4.49Å; E197-F210 HydrophobicContact CG-CE2 4.19Å; E197-F210 HydrophobicContact CG-CZ 4.3Å; E197-F210 WeakPolarHBondContact OE1-CZ 3.22Å; V198-F210 HydrophobicContact CG2-CD2 3.37Å; V198-F210 HydrophobicContact CG2-CE2 3.52Å; V198-F210 HydrophobicContact CG2-CG 4.34Å; V208-F210 HydrophobicContact CG1-CD1 3.87Å; V208-F210 HydrophobicContact CG1-CD2 4.11Å; V208-F210 HydrophobicContact CG1-CE1 3.5Å; V208-F210 VanDerWaalsContact CG1-CE1 3.5Å; V208-F210 HydrophobicContact CG1-CE2 3.77Å; V208-F210 HydrophobicContact CG1-CG 4.14Å; V208-F210 HydrophobicContact CG1-CZ 3.41Å; V208-F210 VanDerWaalsContact CG1-CZ 3.41Å
211	L	88.3	Confident	70.4	Confident	31 Å²	31	68.3 Å²	68.3	16%	0.162	39%	0.392	C	S	.	.			trans	-133.7	4.6	-174.7	-67.7	168.7	0	0	0	112.6	P172 Q173 P176 V186	P172-L211 HydrophobicContact CB-CD2 4.49Å; P172-L211 WeakPolarHBondContact O-CD2 3.28Å; Q173-L211 PolarHBondContact NE2-O 3.48Å; P176-L211 HydrophobicContact CB-CD1 3.41Å; P176-L211 VanDerWaalsContact CB-CD1 3.41Å; P176-L211 HydrophobicContact CB-CD2 4.47Å; P176-L211 HydrophobicContact CG-CD1 4.3Å; V186-L211 HydrophobicContact CG1-CD1 4.22Å; V186-L211 HydrophobicContact CG1-CD2 3.59Å; V186-L211 HydrophobicContact CG1-CG 3.98Å
212	D	81.7	Confident	67.1	Low	83 Å²	83	71.6 Å²	71.6	44%	0.444	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-67.9	134.4	-176.4	-65.7	-35	0	0	0	109.4
213	K	70.4	Confident	63.8	Low	127 Å²	127	76.4 Å²	76.4	55%	0.552	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-79.2	136.8	171.4	-63.2	-179.4	179.6	-178.9	0	107.8	C215	K213-C215 PolarHBondContact O-N 3.02Å; K213-C215 VanDerWaalsContact O-N 3.16Å
214	K	58.6	Low	60.6	Low	63 Å²	63	80.6 Å²	80.6	27%	0.274	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-62.9	117.8	166.7	-69.4	-176.1	-177.3	178.1	0	107.3	H190 D193 T216 L232 G234	H190-K214 WeakPolarHBondContact O-CE 3.18Å; D193-K214 IonicContact OD2-NZ 3.59Å; K214-T216 PolarHBondContact O-N 2.86Å; K214-L232 HydrophobicContact CB-CD2 4.34Å; K214-G234 PolarHBondContact NZ-O 3.03Å
215	C	41.9	Very low	57.3	Low	105 Å²	105	81.6 Å²	81.6	71%	0.709	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-65.4	130.8	-173.8	-76.1	0	0	0	0	111.5	K213 S217 L232	K213-C215 PolarHBondContact O-N 3.02Å; K213-C215 VanDerWaalsContact O-N 3.16Å; C215-S217 VanDerWaalsContact C-N 3.26Å; C215-L232 WeakPolarHBondContact O-CD2 3.43Å
216	T	38.7	Very low	54	Low	88 Å²	88	89.5 Å²	89.5	54%	0.54	53%	0.531	S	S	.	.			trans	-82.7	1.5	168.1	47.9	0	0	0	0	113	K214 S218 L232 I272	K214-T216 PolarHBondContact O-N 2.86Å; T216-S218 PolarHBondContact O-N 3.11Å; T216-L232 HydrophobicContact CG2-CD1 4.28Å; T216-L232 HydrophobicContact CG2-CD2 4.3Å; T216-I272 HydrophobicContact CG2-CD1 4.43Å
217	S	32.1	Very low	50.8	Low	77 Å²	77	92.5 Å²	92.5	54%	0.538	55%	0.554	S	S	.	*			trans	-90.3	109.1	-164.3	-37.2	0	0	0	0	112.2	C215 E219	C215-S217 VanDerWaalsContact C-N 3.26Å; S217-E219 PolarHBondContact O-N 3.38Å
218	S	31.7	Very low	47.8	Very low	126 Å²	126	96 Å²	96	88%	0.881	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	15.8	172	-31.1	0	0	0	0	115.6	T216	T216-S218 PolarHBondContact O-N 3.11Å
219	E	30.4	Very low	45.1	Very low	173 Å²	173	100.9 Å²	100.9	81%	0.808	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.1	24.6	-165.8	-68.4	-166.4	160	0	0	115.4	S217	S217-E219 PolarHBondContact O-N 3.38Å
220	S	27.9	Very low	42.8	Very low	106 Å²	106	100.4 Å²	100.4	74%	0.741	62%	0.624	S	S	*	*	S	Bend	trans	-136.6	83.3	173.4	-61.6	0	0	0	0	113
221	S	26.4	Very low	41	Very low	102 Å²	102	101.4 Å²	101.4	71%	0.713	63%	0.631	S	S	*	*			trans	49.5	99.5	132	-52.5	0	0	0	0	118.6	S223	S221-S223 PolarHBondContact O-N 3.34Å
222	S	28.7	Very low	39.9	Very low	112 Å²	112	103.6 Å²	103.6	78%	0.783	64%	0.643	S	S	*	*				40.1	71.5	124.8	59	0	0	0	0	116.8
223	S	27.1	Very low	39.2	Very low	110 Å²	110	99.8 Å²	99.8	77%	0.769	62%	0.622	S	S	*	*			trans	-156	63.9	152.4	-75.9	0	0	0	0	108.5	S221 T225	S221-S223 PolarHBondContact O-N 3.34Å; S223-T225 VanDerWaalsContact C-N 3.25Å; S223-T225 PolarHBondContact O-N 3.17Å
224	A	29	Very low	39.5	Very low	105 Å²	105	94.1 Å²	94.1	87%	0.868	60%	0.6	S	S	*	*			trans	-72.8	80.2	175.8	0	0	0	0	0	109.6
225	T	24	Very low	40.7	Very low	117 Å²	117	91.5 Å²	91.5	72%	0.718	59%	0.589	S	S	*	*			trans	-87.9	132.5	154.5	37.5	0	0	0	0	106.9	S223 S227	S223-T225 VanDerWaalsContact C-N 3.25Å; S223-T225 PolarHBondContact O-N 3.17Å; T225-S227 PolarHBondContact O-N 3.26Å
226	H	24.9	Very low	43	Very low	201 Å²	201	88.4 Å²	88.4	93%	0.931	57%	0.571	S	S	*	*			trans	-48.4	64.7	-171.5	-61.1	-80.2	0	0	0	116.6	S228	H226-S228 PolarHBondContact O-N 3.29Å; H226-S228 VanDerWaalsContact O-N 3.14Å
227	S	28.6	Very low	45.5	Very low	92 Å²	92	84.6 Å²	84.6	64%	0.643	55%	0.547	S	S	*	.			trans	-79.2	94.9	163.4	52.2	0	0	0	0	107.4	T225 S229	T225-S227 PolarHBondContact O-N 3.26Å; S227-S229 PolarHBondContact O-N 3.13Å; S227-S229 VanDerWaalsContact O-N 3.14Å
228	S	33	Very low	48.3	Very low	107 Å²	107	86.8 Å²	86.8	75%	0.748	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-18.6	109.8	164.5	49.2	0	0	0	0	112.9	H226 S230	H226-S228 PolarHBondContact O-N 3.29Å; H226-S228 VanDerWaalsContact O-N 3.14Å; S228-S230 PolarHBondContact O-N 2.79Å
229	S	36.2	Very low	51.2	Low	106 Å²	106	83 Å²	83	74%	0.741	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	20.4	69	161.7	-175.2	0	0	0	0	114.2	S227 S231	S227-S229 PolarHBondContact O-N 3.13Å; S227-S229 VanDerWaalsContact O-N 3.14Å; S229-S231 VanDerWaalsContact C-N 3.29Å; S229-S231 PolarHBondContact O-N 3.38Å
230	S	45.9	Very low	54.2	Low	76 Å²	76	76.5 Å²	76.5	53%	0.531	50%	0.496	S	S	.	.			trans	-74.7	88.9	-177.4	73.6	0	0	0	0	108.9	S228 L232	S228-S230 PolarHBondContact O-N 2.79Å; S230-L232 PolarHBondContact O-N 2.8Å
231	S	55.3	Low	57.3	Low	22 Å²	22	72.5 Å²	72.5	15%	0.154	47%	0.465	C	S	.	.			trans	-50.4	125.6	165.9	166.1	0	0	0	0	109	S229 A233	S229-S231 VanDerWaalsContact C-N 3.29Å; S229-S231 PolarHBondContact O-N 3.38Å; S231-A233 PolarHBondContact O-N 3.27Å; S231-A233 VanDerWaalsContact OG-CB 3.31Å; S231-A233 WeakPolarHBondContact OG-CB 3.29Å; S231-A233 PolarHBondContact OG-N 2.75Å
232	L	65	Low	60.6	Low	78 Å²	78	70.6 Å²	70.6	41%	0.408	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.7	174	-71.6	166	0	0	0	111.7	K214 C215 T216 S230 G234 A274	K214-L232 HydrophobicContact CB-CD2 4.34Å; C215-L232 WeakPolarHBondContact O-CD2 3.43Å; T216-L232 HydrophobicContact CG2-CD1 4.28Å; T216-L232 HydrophobicContact CG2-CD2 4.3Å; S230-L232 PolarHBondContact O-N 2.8Å; L232-G234 PolarHBondContact O-N 3.48Å; L232-A274 HydrophobicContact CB-CB 4.16Å
233	A	67.4	Low	63.7	Low	2 Å²	2	67.1 Å²	67.1	2%	0.017	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-9	-176.2	0	0	0	0	0	114.5	S231 T255 A274 Y276	S231-A233 PolarHBondContact O-N 3.27Å; S231-A233 VanDerWaalsContact OG-CB 3.31Å; S231-A233 WeakPolarHBondContact OG-CB 3.29Å; S231-A233 PolarHBondContact OG-N 2.75Å; A233-T255 WeakPolarHBondContact O-CB 3.45Å; A233-T255 WeakPolarHBondContact O-CG2 3.29Å; A233-A274 WeakPolarHBondContact CA-O 3.47Å; A233-A274 HydrophobicContact CB-CB 4.26Å; A233-A274 WeakPolarHBondContact CB-O 3.39Å; A233-Y276 HydrophobicContact CB-CD1 3.87Å; A233-Y276 HydrophobicContact CB-CD2 3.62Å; A233-Y276 HydrophobicContact CB-CE1 3.85Å; A233-Y276 HydrophobicContact CB-CE2 3.59Å; A233-Y276 HydrophobicContact CB-CG 3.76Å; A233-Y276 PolarHBondContact O-OH 3.02Å
234	G	77.3	Confident	66.8	Low	8 Å²	8	67 Å²	67	8%	0.082	40%	0.398	C	S	.	.	S	Bend	trans	137.4	-128.5	173.6	0	0	0	0	0	113.8	K214 L232 Y276	K214-G234 PolarHBondContact NZ-O 3.03Å; L232-G234 PolarHBondContact O-N 3.48Å; G234-Y276 WeakPolarHBondContact CA-OH 3.27Å
235	I	83.6	Confident	69.9	Low	8 Å²	8	63 Å²	63	4%	0.041	36%	0.362	C	S	.	.	S	Bend	trans	-76.4	149.8	176.3	-52.6	165.2	0	0	0	109.8	Y64 I192 D193 L237 L239 Y276	Y64-I235 HydrophobicContact CD2-CD1 3.86Å; Y64-I235 HydrophobicContact CG-CD1 3.86Å; I192-I235 HydrophobicContact CB-CD1 4.5Å; I192-I235 HydrophobicContact CD1-CD1 3.11Å; I192-I235 HydrophobicContact CD1-CG1 3.7Å; I192-I235 HydrophobicContact CG1-CD1 3.36Å; I192-I235 HydrophobicContact CG1-CG1 3.52Å; D193-I235 HydrophobicContact CB-CG2 4.15Å; I235-L237 PolarHBondContact O-N 3.35Å; I235-L239 HydrophobicContact CG2-CB 4.17Å; I235-L239 HydrophobicContact CG2-CD1 3.16Å; I235-L239 HydrophobicContact CG2-CG 3.76Å; I235-Y276 PolarHBondContact N-OH 3.19Å; I235-Y276 VanDerWaalsContact N-OH 3.14Å; I235-Y276 WeakPolarHBondContact O-CE1 3.43Å; I235-Y276 VanDerWaalsContact O-CZ 3.29Å; I235-Y276 PolarHBondContact O-OH 3.42Å
236	A	89	Confident	73.3	Confident	41 Å²	41	61.5 Å²	61.5	34%	0.339	36%	0.355	S	S	.	.			trans	-64.1	130.8	168.5	0	0	0	0	0	110.8	D238 L239	A236-D238 WeakPolarHBondContact CB-OD1 3.38Å; A236-D238 PolarHBondContact O-N 3.01Å; A236-L239 HydrophobicContact CB-CG 4.22Å; A236-L239 WeakPolarHBondContact O-CB 3.28Å; A236-L239 WeakPolarHBondContact O-CG 3.27Å; A236-L239 PolarHBondContact O-N 3.3Å; A236-L239 VanDerWaalsContact O-N 3.16Å
237	L	91.6	Very high	76.7	Confident	7 Å²	7	53 Å²	53	4%	0.037	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-18.4	-171.4	-65.1	177.8	0	0	0	113.7	Y64 I235 L239 L251 Y276 Q280 L281 R284	Y64-L237 PolarHBondContact OH-O 3.42Å; Y64-L237 VanDerWaalsContact OH-O 3.09Å; I235-L237 PolarHBondContact O-N 3.35Å; L237-L239 VanDerWaalsContact C-N 3.33Å; L237-L251 HydrophobicContact CD1-CD1 4.43Å; L237-Y276 HydrophobicContact CD1-CD1 3.74Å; L237-Y276 HydrophobicContact CD1-CD2 4.31Å; L237-Y276 HydrophobicContact CD1-CE1 4.2Å; L237-Y276 HydrophobicContact CD1-CG 3.79Å; L237-Y276 HydrophobicContact CD2-CD1 4.27Å; L237-Y276 HydrophobicContact CD2-CD2 4.32Å; L237-Y276 HydrophobicContact CD2-CE1 3.92Å; L237-Y276 HydrophobicContact CD2-CE2 3.99Å; L237-Y276 HydrophobicContact CD2-CG 4.45Å; L237-Y276 HydrophobicContact CG-CD1 3.75Å; L237-Y276 HydrophobicContact CG-CE1 3.69Å; L237-Y276 HydrophobicContact CG-CG 4.19Å; L237-Q280 HydrophobicContact CD1-CB 4.22Å; L237-L281 HydrophobicContact CD1-CD2 3.54Å; L237-L281 HydrophobicContact CD1-CG 4.3Å; L237-R284 HydrophobicContact CB-CB 4.29Å; L237-R284 HydrophobicContact CB-CG 4.35Å; L237-R284 WeakPolarHBondContact O-CD 3.46Å
238	D	91.1	Very high	80	Confident	124 Å²	124	49 Å²	49	66%	0.663	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.9	177.5	67.1	-24.7	0	0	0	113.5	A236	A236-D238 WeakPolarHBondContact CB-OD1 3.38Å; A236-D238 PolarHBondContact O-N 3.01Å
239	L	93.2	Very high	83.1	Confident	46 Å²	46	43.9 Å²	43.9	24%	0.241	25%	0.251	C	S	.	.	S	Bend	trans	-61.9	150	173.2	-70.8	-162.2	0	0	0	111.3	Y64 L68 D193 I235 A236 L237 K241	Y64-L239 HydrophobicContact CD1-CB 4.02Å; Y64-L239 HydrophobicContact CE1-CB 4.21Å; Y64-L239 WeakPolarHBondContact CE1-O 3.36Å; L68-L239 HydrophobicContact CD1-CD1 4.1Å; L68-L239 HydrophobicContact CD2-CD1 4.07Å; D193-L239 HydrophobicContact CB-CD1 3.95Å; I235-L239 HydrophobicContact CG2-CB 4.17Å; I235-L239 HydrophobicContact CG2-CD1 3.16Å; I235-L239 HydrophobicContact CG2-CG 3.76Å; A236-L239 HydrophobicContact CB-CG 4.22Å; A236-L239 WeakPolarHBondContact O-CB 3.28Å; A236-L239 WeakPolarHBondContact O-CG 3.27Å; A236-L239 PolarHBondContact O-N 3.3Å; A236-L239 VanDerWaalsContact O-N 3.16Å; L237-L239 VanDerWaalsContact C-N 3.33Å; L239-K241 PolarHBondContact O-N 2.87Å
240	P	93.2	Very high	86.1	Confident	37 Å²	37	39.2 Å²	39.2	24%	0.24	22%	0.218	C	C	.	.			trans	-54.9	133.9	175.4	-18.6	27.1	0	0	0	111.3	L68 K71	L68-P240 HydrophobicContact CD2-CG 4.37Å; K71-P240 HydrophobicContact CB-CB 4.44Å; K71-P240 HydrophobicContact CB-CG 4.29Å; K71-P240 HydrophobicContact CD-CB 4.22Å; K71-P240 HydrophobicContact CD-CG 3.3Å; K71-P240 HydrophobicContact CG-CG 4.4Å
241	K	93.5	Very high	88.5	Confident	22 Å²	22	35.6 Å²	35.6	10%	0.096	19%	0.193	C	C	.	.			trans	-136.6	127.1	-177.5	-171.2	178.6	-174.3	170.1	0	109.6	S60 E63 Y64 L239 E249 I250	S60-K241 PolarHBondContact OG-NZ 2.97Å; E63-K241 HydrophobicContact CB-CD 4.28Å; E63-K241 HydrophobicContact CB-CG 3.62Å; E63-K241 WeakPolarHBondContact OE2-CE 3.39Å; E63-K241 IonicContact OE2-NZ 3.76Å; Y64-K241 HydrophobicContact CD1-CB 3.93Å; Y64-K241 HydrophobicContact CD1-CD 4.31Å; Y64-K241 HydrophobicContact CD1-CG 4.16Å; Y64-K241 HydrophobicContact CD2-CD 4.32Å; Y64-K241 HydrophobicContact CE1-CB 3.96Å; Y64-K241 HydrophobicContact CE1-CD 3.99Å; Y64-K241 HydrophobicContact CE1-CG 4.26Å; Y64-K241 HydrophobicContact CE2-CD 3.98Å; Y64-K241 HydrophobicContact CG-CD 4.47Å; Y64-K241 HydrophobicContact CG-CG 4.34Å; L239-K241 PolarHBondContact O-N 2.87Å; K241-E249 IonicContact NZ-OE1 4Å; K241-E249 PolarHBondContact NZ-OE1 3.13Å; K241-E249 IonicContact NZ-OE2 3.93Å; K241-I250 PolarHBondContact NZ-O 3.22Å
242	I	94.3	Very high	90.5	Very high	61 Å²	61	34.8 Å²	34.8	31%	0.313	19%	0.188	S	C	.	.			trans	-105.1	108.6	172.8	-66.4	-69.9	0	0	0	107.4	E63 T66 I83	E63-I242 WeakPolarHBondContact CA-O 3.47Å; E63-I242 WeakPolarHBondContact CB-O 3.4Å; E63-I242 VanDerWaalsContact CG-O 3.3Å; E63-I242 WeakPolarHBondContact CG-O 3.45Å; E63-I242 PolarHBondContact O-N 2.58Å; T66-I242 HydrophobicContact CG2-CB 3.84Å; T66-I242 HydrophobicContact CG2-CG1 4.33Å; T66-I242 HydrophobicContact CG2-CG2 4.01Å; I83-I242 HydrophobicContact CD1-CG2 4.43Å
243	R	94.5	Very high	92	Very high	39 Å²	39	31.1 Å²	31.1	15%	0.147	17%	0.168	C	C	.	.			trans	-70.4	139.1	-178.3	-62.4	173.7	-177.5	96.1	7.7	110.7	E63 N245 I248 E249 E291	E63-R243 WeakPolarHBondContact OE1-CA 3.36Å; R243-N245 VanDerWaalsContact C-N 3.26Å; R243-N245 VanDerWaalsContact CB-O 3.32Å; R243-N245 WeakPolarHBondContact CB-O 3.3Å; R243-N245 PolarHBondContact O-N 3.25Å; R243-I248 WeakPolarHBondContact CD-O 3.41Å; R243-E249 IonicContact CZ-OE2 3.88Å; R243-E249 IonicContact NE-OE2 2.68Å; R243-E249 PolarHBondContact NE-OE2 2.82Å; R243-E249 IonicContact NH2-OE2 3.6Å; R243-E249 PolarHBondContact NH2-OE2 3.16Å; R243-E291 IonicContact CZ-OE2 2.82Å; R243-E291 IonicContact NH1-OE2 3.05Å; R243-E291 PolarHBondContact NH1-OE2 3.01Å; R243-E291 IonicContact NH2-OE2 3.61Å; R243-E291 PolarHBondContact NH2-OE2 2.86Å
244	R	91.5	Very high	93.4	Very high	107 Å²	107	31 Å²	31	40%	0.404	17%	0.167	S	C	.	.	S	Bend	trans	-64.8	-36.8	171.1	-170.1	-179	175.7	160	-5.6	111.1	E63 L78 D79 G80	E63-R244 PolarHBondContact OE1-N 2.94Å; L78-R244 HydrophobicContact CD2-CB 3.87Å; L78-R244 HydrophobicContact CD2-CG 4.07Å; D79-R244 PolarHBondContact O-NE 2.97Å; D79-R244 PolarHBondContact O-NH2 2.08Å; G80-R244 PolarHBondContact O-NE 3.47Å; G80-R244 PolarHBondContact O-NH2 3.43Å
245	N	94.1	Very high	94.2	Very high	22 Å²	22	30.9 Å²	30.9	12%	0.118	17%	0.165	C	C	.	.	S	Bend	trans	-120.7	115.4	171.9	-175	-20.6	0	0	0	109	R243 L247 I248 T522 Y550	R243-N245 VanDerWaalsContact C-N 3.26Å; R243-N245 VanDerWaalsContact CB-O 3.32Å; R243-N245 WeakPolarHBondContact CB-O 3.3Å; R243-N245 PolarHBondContact O-N 3.25Å; N245-L247 PolarHBondContact O-N 3.31Å; N245-L247 PolarHBondContact OD1-N 3.28Å; N245-I248 HydrophobicContact CB-CB 4.3Å; N245-I248 HydrophobicContact CB-CD1 4.39Å; N245-I248 HydrophobicContact CB-CG1 4.27Å; N245-I248 WeakPolarHBondContact ND2-CD1 3.32Å; N245-I248 PolarHBondContact O-N 2.95Å; N245-I248 VanDerWaalsContact O-N 3.08Å; N245-T522 PolarHBondContact ND2-O 2.82Å; N245-Y550 PolarHBondContact OD1-OH 2.76Å
246	P	95.4	Very high	94.6	Very high	85 Å²	85	30.5 Å²	30.5	55%	0.552	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.8	-176.6	25.7	-34.9	0	0	0	113.7
247	L	97.7	Very high	94.9	Very high	23 Å²	23	29.1 Å²	29.1	12%	0.12	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-7.2	179.6	-57.2	-177.2	0	0	0	114.1	N245 V293 K294 E295 T522 Y550 G551	N245-L247 PolarHBondContact O-N 3.31Å; N245-L247 PolarHBondContact OD1-N 3.28Å; L247-V293 WeakPolarHBondContact O-CG1 3.19Å; L247-K294 HydrophobicContact CB-CB 4.46Å; L247-K294 HydrophobicContact CB-CG 4.46Å; L247-K294 HydrophobicContact CD2-CG 4.03Å; L247-K294 PolarHBondContact O-N 2.95Å; L247-E295 PolarHBondContact O-N 2.68Å; L247-T522 HydrophobicContact CB-CG2 4.25Å; L247-T522 HydrophobicContact CD1-CG2 4.44Å; L247-Y550 HydrophobicContact CD1-CD1 3.75Å; L247-Y550 HydrophobicContact CD1-CD2 4.31Å; L247-Y550 HydrophobicContact CD1-CE1 3.37Å; L247-Y550 HydrophobicContact CD1-CE2 3.98Å; L247-Y550 HydrophobicContact CD1-CG 4.21Å; L247-Y550 VanDerWaalsContact CD1-CZ 3.5Å; L247-Y550 HydrophobicContact CG-CE1 3.95Å; L247-G551 VanDerWaalsContact CD1-CA 3.44Å
248	I	98.2	Very high	95	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.036	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	119.8	-173.6	-53.5	-176.6	0	0	0	110.5	R243 N245 I250 E295 W297 E523	R243-I248 WeakPolarHBondContact CD-O 3.41Å; N245-I248 HydrophobicContact CB-CB 4.3Å; N245-I248 HydrophobicContact CB-CD1 4.39Å; N245-I248 HydrophobicContact CB-CG1 4.27Å; N245-I248 WeakPolarHBondContact ND2-CD1 3.32Å; N245-I248 PolarHBondContact O-N 2.95Å; N245-I248 VanDerWaalsContact O-N 3.08Å; I248-I250 HydrophobicContact CG2-CG1 4.49Å; I248-E295 CarbonylContact C-O 3.58Å; I248-E295 WeakPolarHBondContact CA-O 3.46Å; I248-E295 HydrophobicContact CG1-CB 4.19Å; I248-W297 HydrophobicContact CD1-CH2 4.36Å; I248-W297 HydrophobicContact CD1-CZ2 3.78Å; I248-W297 HydrophobicContact CG2-CD2 3.72Å; I248-W297 HydrophobicContact CG2-CE3 4.3Å; I248-W297 HydrophobicContact CG2-CG 3.85Å; I248-W297 HydrophobicContact CG2-CZ2 4.24Å; I248-E523 HydrophobicContact CD1-CG 3.8Å
249	E	98	Very high	95.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.2	166.7	175.8	67.1	-165	0	0	109.8	K241 R243 L251 R284 A288 V293 E295 L296 W297	K241-E249 IonicContact NZ-OE1 4Å; K241-E249 PolarHBondContact NZ-OE1 3.13Å; K241-E249 IonicContact NZ-OE2 3.93Å; R243-E249 IonicContact CZ-OE2 3.88Å; R243-E249 IonicContact NE-OE2 2.68Å; R243-E249 PolarHBondContact NE-OE2 2.82Å; R243-E249 IonicContact NH2-OE2 3.6Å; R243-E249 PolarHBondContact NH2-OE2 3.16Å; E249-L251 HydrophobicContact CG-CB 4.39Å; E249-L251 PolarHBondContact O-N 3.15Å; E249-R284 IonicContact OE1-CZ 3.18Å; E249-R284 IonicContact OE1-NE 3.1Å; E249-R284 PolarHBondContact OE1-NE 2.9Å; E249-R284 IonicContact OE1-NH2 3.94Å; E249-R284 PolarHBondContact OE1-NH2 3Å; E249-R284 IonicContact OE2-CZ 2.68Å; E249-R284 IonicContact OE2-NH2 2.6Å; E249-R284 PolarHBondContact OE2-NH2 2.95Å; E249-A288 HydrophobicContact CB-CB 3.77Å; E249-A288 HydrophobicContact CG-CB 3.8Å; E249-V293 HydrophobicContact CB-CG1 3.89Å; E249-V293 HydrophobicContact CB-CG2 4.18Å; E249-E295 PolarHBondContact N-O 3.19Å; E249-L296 HydrophobicContact CB-CD1 3.68Å; E249-L296 HydrophobicContact CG-CD1 3.59Å; E249-W297 PolarHBondContact O-N 3.16Å
250	I	97.8	Very high	95.2	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.041	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	105.5	167.3	-55.9	173.4	0	0	0	108.6	A56 T59 S60 K241 I248 W297 T299	A56-I250 HydrophobicContact CB-CD1 4.29Å; A56-I250 HydrophobicContact CB-CG2 3.81Å; A56-I250 WeakPolarHBondContact O-CG2 3.38Å; T59-I250 HydrophobicContact CG2-CD1 3.65Å; S60-I250 PolarHBondContact OG-O 3.45Å; K241-I250 PolarHBondContact NZ-O 3.22Å; I248-I250 HydrophobicContact CG2-CG1 4.49Å; I250-W297 HydrophobicContact CD1-CE3 4.3Å; I250-W297 HydrophobicContact CG1-CB 4.45Å; I250-W297 HydrophobicContact CG1-CE3 4.01Å; I250-T299 HydrophobicContact CG2-CG2 3.53Å
251	L	97.7	Very high	95.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	103.8	-178.5	-176.5	58.7	0	0	0	110.4	L237 E249 I253 L281 R284 A285 L296 W297 L298 T299	L237-L251 HydrophobicContact CD1-CD1 4.43Å; E249-L251 HydrophobicContact CG-CB 4.39Å; E249-L251 PolarHBondContact O-N 3.15Å; L251-I253 HydrophobicContact CG-CG2 4.4Å; L251-I253 PolarHBondContact O-N 2.94Å; L251-L281 HydrophobicContact CD1-CD2 3.94Å; L251-L281 HydrophobicContact CD2-CB 4.5Å; L251-L281 HydrophobicContact CD2-CD2 4.21Å; L251-L281 HydrophobicContact CG-CD2 4.04Å; L251-R284 HydrophobicContact CD1-CB 4.12Å; L251-R284 HydrophobicContact CD1-CG 3.59Å; L251-A285 HydrophobicContact CD2-CB 4.4Å; L251-L296 HydrophobicContact CB-CD1 3.79Å; L251-L296 HydrophobicContact CD2-CD1 4.14Å; L251-L296 HydrophobicContact CD2-CD2 4.29Å; L251-W297 PolarHBondContact N-O 3.42Å; L251-L298 HydrophobicContact CB-CD2 4.06Å; L251-L298 HydrophobicContact CD2-CD2 3.88Å; L251-L298 HydrophobicContact CG-CD2 4.2Å; L251-T299 PolarHBondContact O-N 3.28Å
252	A	96.5	Very high	95.5	Very high	5 Å²	5	24.9 Å²	24.9	4%	0.041	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	113	171.5	0	0	0	0	0	109.9	Y276 T299	A252-Y276 WeakPolarHBondContact O-CD2 3.4Å; A252-T299 VanDerWaalsContact CA-O 3.31Å; A252-T299 WeakPolarHBondContact CA-O 3.26Å; A252-T299 HydrophobicContact CB-CG2 3.95Å
253	I	97.2	Very high	95.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.			trans	-88.5	-18.4	-175.9	69.8	168.8	0	0	0	113.1	L251 Y276 L281 L298 T299 L303 Y306 L332 L335	L251-I253 HydrophobicContact CG-CG2 4.4Å; L251-I253 PolarHBondContact O-N 2.94Å; I253-Y276 WeakPolarHBondContact O-CD2 3.25Å; I253-Y276 PolarHBondContact O-N 3.26Å; I253-L281 HydrophobicContact CB-CD1 3.89Å; I253-L281 HydrophobicContact CB-CD2 4.22Å; I253-L281 HydrophobicContact CG2-CD1 4.11Å; I253-L281 HydrophobicContact CG2-CD2 4.08Å; I253-L298 HydrophobicContact CG2-CB 4.42Å; I253-L298 HydrophobicContact CG2-CD2 3.74Å; I253-L298 HydrophobicContact CG2-CG 4.45Å; I253-T299 PolarHBondContact N-O 3.44Å; I253-L303 HydrophobicContact CD1-CD2 3.3Å; I253-L303 HydrophobicContact CG1-CD2 3.58Å; I253-Y306 HydrophobicContact CB-CD2 3.93Å; I253-Y306 HydrophobicContact CB-CE2 4.12Å; I253-Y306 HydrophobicContact CD1-CD1 4.5Å; I253-Y306 HydrophobicContact CD1-CD2 3.58Å; I253-Y306 HydrophobicContact CD1-CE2 4.4Å; I253-Y306 HydrophobicContact CD1-CG 3.63Å; I253-Y306 HydrophobicContact CG1-CD2 3.74Å; I253-Y306 HydrophobicContact CG1-CE2 4.43Å; I253-Y306 HydrophobicContact CG1-CG 4.3Å; I253-Y306 WeakPolarHBondContact O-CD2 3.49Å; I253-Y306 VanDerWaalsContact O-CE2 3.3Å; I253-Y306 WeakPolarHBondContact O-CE2 3.38Å; I253-L332 HydrophobicContact CD1-CD1 3.8Å; I253-L335 HydrophobicContact CB-CD2 4.16Å; I253-L335 HydrophobicContact CD1-CD2 3.85Å; I253-L335 HydrophobicContact CG2-CD2 3.95Å
254	S	95.9	Very high	95.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	165.5	175	59.2	0	0	0	0	110.1	H57 A274 S300	H57-S254 PolarHBondContact CE1-O 3.18Å; S254-A274 CarbonylContact C-O 3.45Å; S254-A274 VanDerWaalsContact CA-O 3.29Å; S254-A274 WeakPolarHBondContact CA-O 3.42Å; S254-A274 WeakPolarHBondContact CB-O 3.25Å; S254-S300 WeakPolarHBondContact OG-CB 3.46Å; S254-S300 PolarHBondContact OG-OG 2.6Å
255	T	93.9	Very high	95.3	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.031	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	153	165.7	-170.7	0	0	0	0	110.1	A233 L273 A274 E301	A233-T255 WeakPolarHBondContact O-CB 3.45Å; A233-T255 WeakPolarHBondContact O-CG2 3.29Å; T255-L273 CarbonylContact O-C 3.58Å; T255-L273 WeakPolarHBondContact O-CA 3.28Å; T255-A274 HydrophobicContact CG2-CB 4.11Å; T255-A274 PolarHBondContact N-O 2.85Å; T255-A274 PolarHBondContact O-N 2.91Å; T255-E301 WeakPolarHBondContact CA-OE2 3.47Å
256	G	92.8	Very high	94.9	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.01	12%	0.118	C	C	.	.	S	Bend	trans	80.7	178.6	175.7	0	0	0	0	0	112.5	G271 E301	G256-G271 VanDerWaalsContact CA-O 3.3Å; G256-G271 WeakPolarHBondContact CA-O 3.47Å; G256-E301 PolarHBondContact N-OE2 2.91Å
257	C	93.9	Very high	94.6	Very high	12 Å²	12	18.2 Å²	18.2	8%	0.081	10%	0.104	C	C	.	.			trans	-146.7	143.5	-171.6	-171.2	0	0	0	0	111.2	N259 K267 G271 E301	C257-N259 PolarHBondContact SG-ND2 3.12Å; C257-K267 WeakPolarHBondContact O-CE 3.49Å; C257-G271 PolarHBondContact N-O 3.34Å; C257-G271 VanDerWaalsContact N-O 3.16Å; C257-E301 HydrophobicContact CB-CB 4.09Å
258	L	95	Very high	94	Very high	69 Å²	69	20.5 Å²	20.5	36%	0.361	11%	0.114	S	C	.	.	S	Bend	trans	-76.5	-34.7	176.6	-68	178.5	0	0	0	112.2	K267 L273 A305 R308 Y358	L258-K267 PolarHBondContact O-NZ 2.83Å; L258-L273 HydrophobicContact CD1-CD2 3.87Å; L258-L273 HydrophobicContact CD2-CB 3.7Å; L258-L273 HydrophobicContact CD2-CD2 4.21Å; L258-L273 HydrophobicContact CG-CB 3.79Å; L258-L273 HydrophobicContact CG-CD2 3.89Å; L258-L273 HydrophobicContact CG-CG 4.48Å; L258-A305 HydrophobicContact CD1-CB 4.22Å; L258-R308 HydrophobicContact CD1-CB 4.1Å; L258-Y358 VanDerWaalsContact CB-OH 3.3Å; L258-Y358 WeakPolarHBondContact CB-OH 3.28Å; L258-Y358 HydrophobicContact CD1-CE1 4.21Å
259	N	94.2	Very high	93.6	Very high	6 Å²	6	20.1 Å²	20.1	3%	0.032	11%	0.112	C	C	.	.			trans	-56.3	155.3	-178.3	-64.5	-60.6	0	0	0	113.9	C257 K267 D302 N355 Y358	C257-N259 PolarHBondContact SG-ND2 3.12Å; N259-K267 WeakPolarHBondContact O-CD 3.32Å; N259-K267 WeakPolarHBondContact O-CE 3.42Å; N259-K267 PolarHBondContact O-NZ 3.45Å; N259-D302 PolarHBondContact ND2-OD2 3.39Å; N259-N355 PolarHBondContact ND2-ND2 3.05Å; N259-Y358 PolarHBondContact OD1-OH 3.17Å
260	A	93.7	Very high	93.2	Very high	51 Å²	51	20.4 Å²	20.4	42%	0.421	11%	0.113	S	C	.	.			trans	-120.8	34.8	179.8	0	0	0	0	0	113.5	T262	A260-T262 PolarHBondContact O-N 3.41Å
261	C	96.1	Very high	92.9	Very high	16 Å²	16	20.7 Å²	20.7	11%	0.108	12%	0.119	C	C	.	.			trans	-53.6	134.3	-172.8	-51.3	0	0	0	0	112.4	Y263 C264 M394	C261-Y263 HydrophobicContact CB-CD1 4.16Å; C261-Y263 HydrophobicContact CB-CE1 3.8Å; C261-Y263 PolarHBondContact O-N 2.79Å; C261-C264 HydrophobicContact CB-CB 3.87Å; C261-C264 PolarHBondContact O-N 3.49Å; C261-C264 VanDerWaalsContact O-N 3.11Å; C261-M394 CarbonylContact C-O 3.59Å; C261-M394 WeakPolarHBondContact CA-O 3.38Å
262	T	96.8	Very high	92.7	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.025	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.7	-170.4	54.8	0	0	0	0	114.2	A260 A393 M394 K395 T478 P479 A480 M483	A260-T262 PolarHBondContact O-N 3.41Å; T262-A393 WeakPolarHBondContact CG2-O 3.48Å; T262-A393 PolarHBondContact OG1-O 3.02Å; T262-M394 PolarHBondContact N-O 2.91Å; T262-M394 WeakPolarHBondContact OG1-CA 2.81Å; T262-M394 PolarHBondContact OG1-O 3.12Å; T262-K395 HydrophobicContact CG2-CB 4.04Å; T262-K395 HydrophobicContact CG2-CD 3.66Å; T262-K395 HydrophobicContact CG2-CG 3.6Å; T262-T478 VanDerWaalsContact O-CB 3.29Å; T262-T478 WeakPolarHBondContact O-CB 3.43Å; T262-T478 PolarHBondContact O-OG1 3.44Å; T262-P479 HydrophobicContact CG2-CB 4.31Å; T262-P479 VanDerWaalsContact O-CD 3.26Å; T262-P479 WeakPolarHBondContact O-CD 3.48Å; T262-A480 VanDerWaalsContact O-CB 3.27Å; T262-A480 WeakPolarHBondContact O-CB 3.46Å; T262-A480 PolarHBondContact O-N 3.19Å; T262-M483 HydrophobicContact CG2-CE 3.93Å
263	Y	94.1	Very high	92.6	Very high	36 Å²	36	25.5 Å²	25.5	14%	0.141	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-9.7	179.6	63.2	-87.9	0	0	0	113.7	C261 K265 Q384 M394 I441 F444	C261-Y263 HydrophobicContact CB-CD1 4.16Å; C261-Y263 HydrophobicContact CB-CE1 3.8Å; C261-Y263 PolarHBondContact O-N 2.79Å; Y263-K265 PolarHBondContact O-N 3.2Å; Y263-Q384 WeakPolarHBondContact OH-CG 3.28Å; Y263-M394 HydrophobicContact CD1-CB 4.24Å; Y263-M394 HydrophobicContact CD1-CG 4.07Å; Y263-M394 HydrophobicContact CE1-CB 3.92Å; Y263-M394 HydrophobicContact CE1-CG 3.89Å; Y263-M394 HydrophobicContact CE1-SD 4.02Å; Y263-I441 HydrophobicContact CD2-CD1 4.2Å; Y263-I441 HydrophobicContact CE2-CD1 3.66Å; Y263-F444 AromaticContact CD1-CE2 4Å; Y263-F444 HydrophobicContact CD1-CE2 4Å
264	C	92.8	Very high	92.5	Very high	34 Å²	34	26.1 Å²	26.1	23%	0.23	15%	0.147	C	C	.	.			trans	-78.9	112.7	-165.9	-178.5	0	0	0	0	112.2	C261 T266	C261-C264 HydrophobicContact CB-CB 3.87Å; C261-C264 PolarHBondContact O-N 3.49Å; C261-C264 VanDerWaalsContact O-N 3.11Å; C264-T266 VanDerWaalsContact SG-CB 3.52Å; C264-T266 PolarHBondContact SG-N 3.32Å
265	K	89.7	Confident	92.6	Very high	18 Å²	18	26.4 Å²	26.4	8%	0.078	15%	0.149	C	C	.	.	S	Bend	trans	-82.6	-20.1	171.7	-160	65.6	169.7	177.5	0	112.3	T142 S174 Y263 K267 Q268 A269 R475 P476 T478	T142-K265 HydrophobicContact CG2-CB 3.94Å; T142-K265 HydrophobicContact CG2-CG 3.88Å; T142-K265 VanDerWaalsContact OG1-CG 3.24Å; T142-K265 WeakPolarHBondContact OG1-CG 3.27Å; S174-K265 PolarHBondContact O-NZ 3.05Å; Y263-K265 PolarHBondContact O-N 3.2Å; K265-K267 PolarHBondContact O-N 3.46Å; K265-Q268 HydrophobicContact CD-CB 4.36Å; K265-Q268 VanDerWaalsContact CD-OE1 3.26Å; K265-Q268 WeakPolarHBondContact O-CB 3.4Å; K265-Q268 PolarHBondContact O-N 2.89Å; K265-Q268 VanDerWaalsContact O-N 3.09Å; K265-A269 PolarHBondContact O-N 3.31Å; K265-A269 VanDerWaalsContact O-N 3.08Å; K265-R475 HydrophobicContact CB-CB 4.42Å; K265-R475 HydrophobicContact CB-CG 4.47Å; K265-R475 HydrophobicContact CD-CB 4.46Å; K265-P476 PolarHBondContact NZ-O 3.11Å; K265-T478 HydrophobicContact CD-CG2 4.24Å
266	T	86.6	Confident	92.6	Very high	26 Å²	26	26.7 Å²	26.7	16%	0.16	15%	0.15	C	C	.	.	H	α-helix	trans	-58.2	-43.4	179.3	-45	0	0	0	0	112.2	V143 C264 Q268 A269 R270 E301	V143-T266 WeakPolarHBondContact CG2-OG1 3.41Å; C264-T266 VanDerWaalsContact SG-CB 3.52Å; C264-T266 PolarHBondContact SG-N 3.32Å; T266-Q268 VanDerWaalsContact C-N 3.27Å; T266-Q268 PolarHBondContact O-N 3.16Å; T266-A269 CarbonylContact O-C 3.48Å; T266-A269 WeakPolarHBondContact O-CB 3.43Å; T266-A269 PolarHBondContact O-N 3.08Å; T266-R270 PolarHBondContact O-N 3.39Å; T266-E301 HydrophobicContact CG2-CG 3.56Å
267	K	87.2	Confident	92.7	Very high	61 Å²	61	28.7 Å²	28.7	27%	0.265	16%	0.163	S	C	.	.	H	α-helix	trans	-62.8	-33.8	176.6	-175.2	160.5	-172.5	174.9	0	112.8	C257 L258 N259 K265 A269 G271	C257-K267 WeakPolarHBondContact O-CE 3.49Å; L258-K267 PolarHBondContact O-NZ 2.83Å; N259-K267 WeakPolarHBondContact O-CD 3.32Å; N259-K267 WeakPolarHBondContact O-CE 3.42Å; N259-K267 PolarHBondContact O-NZ 3.45Å; K265-K267 PolarHBondContact O-N 3.46Å; K267-A269 VanDerWaalsContact C-N 3.32Å; K267-G271 VanDerWaalsContact O-CA 3.25Å; K267-G271 WeakPolarHBondContact O-CA 3.3Å; K267-G271 PolarHBondContact O-N 3.05Å
268	Q	86.2	Confident	92.6	Very high	70 Å²	70	28.1 Å²	28.1	33%	0.327	16%	0.159	S	C	.	.	H	α-helix	trans	-70	-31.8	174.7	-60.4	-172.9	2.7	0	0	112	K265 T266 G477	K265-Q268 HydrophobicContact CD-CB 4.36Å; K265-Q268 VanDerWaalsContact CD-OE1 3.26Å; K265-Q268 WeakPolarHBondContact O-CB 3.4Å; K265-Q268 PolarHBondContact O-N 2.89Å; K265-Q268 VanDerWaalsContact O-N 3.09Å; T266-Q268 VanDerWaalsContact C-N 3.27Å; T266-Q268 PolarHBondContact O-N 3.16Å; Q268-G477 PolarHBondContact NE2-O 3.09Å
269	A	88.8	Confident	92.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-77.4	-54.9	175.8	0	0	0	0	0	112.3	T142 C170 Q173 V189 K265 T266 K267	T142-A269 HydrophobicContact CG2-CB 4.15Å; C170-A269 HydrophobicContact CB-CB 3.81Å; Q173-A269 WeakPolarHBondContact CG-O 3.29Å; V189-A269 WeakPolarHBondContact CG2-O 3.49Å; K265-A269 PolarHBondContact O-N 3.31Å; K265-A269 VanDerWaalsContact O-N 3.08Å; T266-A269 CarbonylContact O-C 3.48Å; T266-A269 WeakPolarHBondContact O-CB 3.43Å; T266-A269 PolarHBondContact O-N 3.08Å; K267-A269 VanDerWaalsContact C-N 3.32Å
270	R	91	Very high	92.5	Very high	5 Å²	5	30.2 Å²	30.2	2%	0.019	17%	0.167	C	C	.	.	H	α-helix	trans	-99.6	-5.8	-168.2	-69.2	-174.2	176.4	-83	0.5	114.8	H57 D61 V189 H190 T266 E301	H57-R270 PolarHBondContact CD2-NH1 3.27Å; H57-R270 PolarHBondContact CE1-NH1 3.14Å; H57-R270 VanDerWaalsContact CE1-NH1 3.27Å; H57-R270 PolarHBondContact NE2-NH1 3.49Å; H57-R270 VanDerWaalsContact NE2-NH1 3.18Å; D61-R270 IonicContact OD2-CZ 3.31Å; D61-R270 IonicContact OD2-NH1 2.62Å; D61-R270 IonicContact OD2-NH2 3.15Å; D61-R270 PolarHBondContact OD2-NH2 2.78Å; V189-R270 HydrophobicContact CG1-CG 4.44Å; V189-R270 HydrophobicContact CG2-CG 4.14Å; H190-R270 PolarHBondContact CE1-O 3.34Å; H190-R270 VanDerWaalsContact CE1-O 3.32Å; T266-R270 PolarHBondContact O-N 3.39Å; R270-E301 WeakPolarHBondContact CD-OE1 3.25Å; R270-E301 IonicContact CZ-OE1 2.64Å; R270-E301 IonicContact NE-OE1 3.79Å; R270-E301 PolarHBondContact NE-OE1 2.94Å; R270-E301 VanDerWaalsContact NE-OE1 3.11Å
271	G	91.3	Very high	92.6	Very high	15 Å²	15	27.8 Å²	27.8	16%	0.155	15%	0.147	C	C	.	.			trans	80.3	-160.9	175.6	0	0	0	0	0	114.4	G256 C257 K267	G256-G271 VanDerWaalsContact CA-O 3.3Å; G256-G271 WeakPolarHBondContact CA-O 3.47Å; C257-G271 PolarHBondContact N-O 3.34Å; C257-G271 VanDerWaalsContact N-O 3.16Å; K267-G271 VanDerWaalsContact O-CA 3.25Å; K267-G271 WeakPolarHBondContact O-CA 3.3Å; K267-G271 PolarHBondContact O-N 3.05Å
272	I	93.1	Very high	92.6	Very high	98 Å²	98	27.6 Å²	27.6	50%	0.503	15%	0.145	S	C	.	.	S	Bend	trans	-77.6	160.2	172.7	61.2	171.4	0	0	0	109.8	T216 A274	T216-I272 HydrophobicContact CG2-CD1 4.43Å; I272-A274 PolarHBondContact O-N 3.35Å
273	L	94.8	Very high	92.6	Very high	9 Å²	9	31.8 Å²	31.8	5%	0.047	17%	0.167	C	C	.	.			trans	-52.9	129.6	178.8	177.8	71.4	0	0	0	111.2	T255 L258 A305 R308 D309	T255-L273 CarbonylContact O-C 3.58Å; T255-L273 WeakPolarHBondContact O-CA 3.28Å; L258-L273 HydrophobicContact CD1-CD2 3.87Å; L258-L273 HydrophobicContact CD2-CB 3.7Å; L258-L273 HydrophobicContact CD2-CD2 4.21Å; L258-L273 HydrophobicContact CG-CB 3.79Å; L258-L273 HydrophobicContact CG-CD2 3.89Å; L258-L273 HydrophobicContact CG-CG 4.48Å; L273-A305 HydrophobicContact CD2-CB 4.29Å; L273-A305 WeakPolarHBondContact CD2-O 3.34Å; L273-R308 HydrophobicContact CD2-CB 4.19Å; L273-D309 HydrophobicContact CD2-CB 4.33Å; L273-D309 WeakPolarHBondContact CD2-OD1 3.16Å
274	A	95.3	Very high	92.7	Very high	12 Å²	12	30.5 Å²	30.5	10%	0.099	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	113	166.5	0	0	0	0	0	108.2	L232 A233 S254 T255 I272 D309	L232-A274 HydrophobicContact CB-CB 4.16Å; A233-A274 WeakPolarHBondContact CA-O 3.47Å; A233-A274 HydrophobicContact CB-CB 4.26Å; A233-A274 WeakPolarHBondContact CB-O 3.39Å; S254-A274 CarbonylContact C-O 3.45Å; S254-A274 VanDerWaalsContact CA-O 3.29Å; S254-A274 WeakPolarHBondContact CA-O 3.42Å; S254-A274 WeakPolarHBondContact CB-O 3.25Å; T255-A274 HydrophobicContact CG2-CB 4.11Å; T255-A274 PolarHBondContact N-O 2.85Å; T255-A274 PolarHBondContact O-N 2.91Å; I272-A274 PolarHBondContact O-N 3.35Å; A274-D309 VanDerWaalsContact CA-OD2 3.26Å; A274-D309 WeakPolarHBondContact CA-OD2 3.39Å
275	S	96.5	Very high	93	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.042	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	145.5	-174.6	-58.8	0	0	0	0	112	G307 D309	S275-G307 PolarHBondContact OG-N 3.25Å; S275-G307 VanDerWaalsContact OG-N 3.08Å; S275-D309 WeakPolarHBondContact CB-OD1 3.45Å; S275-D309 PolarHBondContact N-OD2 2.87Å; S275-D309 PolarHBondContact OG-OD1 3.08Å
276	Y	95.6	Very high	93.4	Very high	11 Å²	11	32.7 Å²	32.7	4%	0.043	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-76.8	141.9	169	-70.7	-84.5	0	0	0	110.4	A233 G234 I235 L237 A252 I253 L281 Y306	A233-Y276 HydrophobicContact CB-CD1 3.87Å; A233-Y276 HydrophobicContact CB-CD2 3.62Å; A233-Y276 HydrophobicContact CB-CE1 3.85Å; A233-Y276 HydrophobicContact CB-CE2 3.59Å; A233-Y276 HydrophobicContact CB-CG 3.76Å; A233-Y276 PolarHBondContact O-OH 3.02Å; G234-Y276 WeakPolarHBondContact CA-OH 3.27Å; I235-Y276 PolarHBondContact N-OH 3.19Å; I235-Y276 VanDerWaalsContact N-OH 3.14Å; I235-Y276 WeakPolarHBondContact O-CE1 3.43Å; I235-Y276 VanDerWaalsContact O-CZ 3.29Å; I235-Y276 PolarHBondContact O-OH 3.42Å; L237-Y276 HydrophobicContact CD1-CD1 3.74Å; L237-Y276 HydrophobicContact CD1-CD2 4.31Å; L237-Y276 HydrophobicContact CD1-CE1 4.2Å; L237-Y276 HydrophobicContact CD1-CG 3.79Å; L237-Y276 HydrophobicContact CD2-CD1 4.27Å; L237-Y276 HydrophobicContact CD2-CD2 4.32Å; L237-Y276 HydrophobicContact CD2-CE1 3.92Å; L237-Y276 HydrophobicContact CD2-CE2 3.99Å; L237-Y276 HydrophobicContact CD2-CG 4.45Å; L237-Y276 HydrophobicContact CG-CD1 3.75Å; L237-Y276 HydrophobicContact CG-CE1 3.69Å; L237-Y276 HydrophobicContact CG-CG 4.19Å; A252-Y276 WeakPolarHBondContact O-CD2 3.4Å; I253-Y276 WeakPolarHBondContact O-CD2 3.25Å; I253-Y276 PolarHBondContact O-N 3.26Å; Y276-L281 HydrophobicContact CG-CD2 4.45Å; Y276-Y306 VanDerWaalsContact O-CE2 3.31Å; Y276-Y306 WeakPolarHBondContact O-CE2 3.36Å; Y276-Y306 PolarHBondContact O-OH 3.25Å
277	P	93.9	Very high	93.9	Very high	43 Å²	43	35 Å²	35	28%	0.279	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-56.7	145.9	171.8	-24.2	34.2	0	0	0	112.1	E279 Q280 L281	P277-E279 VanDerWaalsContact C-N 3.26Å; P277-E279 PolarHBondContact O-N 3.42Å; P277-Q280 HydrophobicContact CB-CG 4.48Å; P277-Q280 PolarHBondContact O-N 3.06Å; P277-L281 PolarHBondContact O-N 3.21Å
278	I	92.6	Very high	94.4	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-54	-45.3	-177.8	-71.8	179	0	0	0	110.7	Q280 L281 L282 Y306 L317 I330 D334 L335	I278-Q280 VanDerWaalsContact C-N 3.31Å; I278-Q280 PolarHBondContact O-N 2.93Å; I278-L281 WeakPolarHBondContact O-CB 3.26Å; I278-L281 PolarHBondContact O-N 3.27Å; I278-L282 HydrophobicContact CG2-CD1 3.73Å; I278-L282 HydrophobicContact CG2-CG 3.9Å; I278-L282 WeakPolarHBondContact O-CG 3.39Å; I278-L282 PolarHBondContact O-N 3.38Å; I278-Y306 HydrophobicContact CG1-CE1 4.37Å; I278-Y306 WeakPolarHBondContact CG1-OH 3.33Å; I278-Y306 PolarHBondContact N-OH 2.83Å; I278-L317 HydrophobicContact CG2-CD1 4Å; I278-I330 HydrophobicContact CD1-CD1 4.34Å; I278-I330 HydrophobicContact CD1-CG2 3.58Å; I278-I330 HydrophobicContact CG1-CG2 4.15Å; I278-D334 HydrophobicContact CD1-CB 4.01Å; I278-L335 HydrophobicContact CG1-CB 4.34Å; I278-L335 HydrophobicContact CG1-CD1 4.38Å; I278-L335 HydrophobicContact CG2-CD1 4.34Å
279	E	92.4	Very high	95	Very high	53 Å²	53	29.8 Å²	29.8	25%	0.248	15%	0.153	C	C	.	.	H	α-helix	trans	-58.9	-42.4	-175.5	-65	80.9	179.6	0	0	111.8	P277 L281 L282 D283 S316	P277-E279 VanDerWaalsContact C-N 3.26Å; P277-E279 PolarHBondContact O-N 3.42Å; E279-L281 VanDerWaalsContact C-N 3.33Å; E279-L281 PolarHBondContact O-N 2.86Å; E279-L282 PolarHBondContact O-N 3.25Å; E279-D283 WeakPolarHBondContact O-CB 3.31Å; E279-D283 VanDerWaalsContact O-CG 3.31Å; E279-D283 PolarHBondContact O-N 3.07Å; E279-S316 PolarHBondContact OE1-N 3.11Å; E279-S316 PolarHBondContact OE1-OG 3.37Å
280	Q	94.7	Very high	95.4	Very high	66 Å²	66	39 Å²	39	31%	0.308	19%	0.193	S	C	.	.	H	α-helix	trans	-65.2	-37.9	177.3	-63.7	-174.3	15.8	0	0	112	L237 P277 I278 R284	L237-Q280 HydrophobicContact CD1-CB 4.22Å; P277-Q280 HydrophobicContact CB-CG 4.48Å; P277-Q280 PolarHBondContact O-N 3.06Å; I278-Q280 VanDerWaalsContact C-N 3.31Å; I278-Q280 PolarHBondContact O-N 2.93Å; Q280-R284 WeakPolarHBondContact O-CB 3.19Å; Q280-R284 PolarHBondContact O-N 2.93Å
281	L	96	Very high	95.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.1	-42.1	178.1	-65.7	172.2	0	0	0	111.6	L237 L251 I253 Y276 P277 I278 E279 R284 A285 Y306 L335	L237-L281 HydrophobicContact CD1-CD2 3.54Å; L237-L281 HydrophobicContact CD1-CG 4.3Å; L251-L281 HydrophobicContact CD1-CD2 3.94Å; L251-L281 HydrophobicContact CD2-CB 4.5Å; L251-L281 HydrophobicContact CD2-CD2 4.21Å; L251-L281 HydrophobicContact CG-CD2 4.04Å; I253-L281 HydrophobicContact CB-CD1 3.89Å; I253-L281 HydrophobicContact CB-CD2 4.22Å; I253-L281 HydrophobicContact CG2-CD1 4.11Å; I253-L281 HydrophobicContact CG2-CD2 4.08Å; Y276-L281 HydrophobicContact CG-CD2 4.45Å; P277-L281 PolarHBondContact O-N 3.21Å; I278-L281 WeakPolarHBondContact O-CB 3.26Å; I278-L281 PolarHBondContact O-N 3.27Å; E279-L281 VanDerWaalsContact C-N 3.33Å; E279-L281 PolarHBondContact O-N 2.86Å; L281-R284 PolarHBondContact O-N 2.74Å; L281-A285 WeakPolarHBondContact O-CB 3.38Å; L281-A285 PolarHBondContact O-N 2.88Å; L281-Y306 HydrophobicContact CD1-CE2 3.63Å; L281-Y306 WeakPolarHBondContact CD1-OH 3.49Å; L281-L335 HydrophobicContact CB-CD1 3.93Å; L281-L335 HydrophobicContact CD1-CD1 3.78Å; L281-L335 HydrophobicContact CD1-CD2 3.71Å; L281-L335 HydrophobicContact CD1-CG 4.4Å
282	L	95.3	Very high	96	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-43.5	175.8	-64.8	-176.5	0	0	0	111.2	I278 E279 A285 K286 L317 G338 L339 I342	I278-L282 HydrophobicContact CG2-CD1 3.73Å; I278-L282 HydrophobicContact CG2-CG 3.9Å; I278-L282 WeakPolarHBondContact O-CG 3.39Å; I278-L282 PolarHBondContact O-N 3.38Å; E279-L282 PolarHBondContact O-N 3.25Å; L282-A285 PolarHBondContact O-N 3.46Å; L282-K286 VanDerWaalsContact O-CG 3.25Å; L282-K286 WeakPolarHBondContact O-CG 3.36Å; L282-K286 PolarHBondContact O-N 2.74Å; L282-L317 HydrophobicContact CD1-CD1 3.61Å; L282-G338 VanDerWaalsContact CD2-C 3.45Å; L282-L339 HydrophobicContact CD2-CB 4.02Å; L282-L339 HydrophobicContact CD2-CD1 3.98Å; L282-I342 HydrophobicContact CD2-CD1 4.18Å
283	D	96.2	Very high	96.2	Very high	92 Å²	92	39.5 Å²	39.5	49%	0.492	20%	0.198	S	C	.	.	H	α-helix	trans	-67.2	-40.7	179.8	-71.3	-14.4	0	0	0	111.7	E279 A285 K286 Q287	E279-D283 WeakPolarHBondContact O-CB 3.31Å; E279-D283 VanDerWaalsContact O-CG 3.31Å; E279-D283 PolarHBondContact O-N 3.07Å; D283-A285 VanDerWaalsContact C-N 3.35Å; D283-A285 PolarHBondContact O-N 2.89Å; D283-K286 PolarHBondContact O-N 2.68Å; D283-K286 IonicContact OD1-NZ 2.85Å; D283-K286 PolarHBondContact OD1-NZ 3.3Å; D283-Q287 WeakPolarHBondContact O-CB 3.39Å; D283-Q287 PolarHBondContact O-N 3.13Å
284	R	97.1	Very high	96.4	Very high	9 Å²	9	42.1 Å²	42.1	3%	0.034	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-41.8	173.2	-179.8	55.7	-173.8	160.2	4.2	112.1	L237 E249 L251 Q280 L281 Q287 A288	L237-R284 HydrophobicContact CB-CB 4.29Å; L237-R284 HydrophobicContact CB-CG 4.35Å; L237-R284 WeakPolarHBondContact O-CD 3.46Å; E249-R284 IonicContact OE1-CZ 3.18Å; E249-R284 IonicContact OE1-NE 3.1Å; E249-R284 PolarHBondContact OE1-NE 2.9Å; E249-R284 IonicContact OE1-NH2 3.94Å; E249-R284 PolarHBondContact OE1-NH2 3Å; E249-R284 IonicContact OE2-CZ 2.68Å; E249-R284 IonicContact OE2-NH2 2.6Å; E249-R284 PolarHBondContact OE2-NH2 2.95Å; L251-R284 HydrophobicContact CD1-CB 4.12Å; L251-R284 HydrophobicContact CD1-CG 3.59Å; Q280-R284 WeakPolarHBondContact O-CB 3.19Å; Q280-R284 PolarHBondContact O-N 2.93Å; L281-R284 PolarHBondContact O-N 2.74Å; R284-Q287 PolarHBondContact O-N 3.45Å; R284-A288 WeakPolarHBondContact O-CB 3.3Å; R284-A288 PolarHBondContact O-N 3.46Å
285	A	98.1	Very high	96.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.4	-46.7	177.3	0	0	0	0	0	112.1	L251 L281 L282 D283 Q287 A288 F289 L296 L339 I342	L251-A285 HydrophobicContact CD2-CB 4.4Å; L281-A285 WeakPolarHBondContact O-CB 3.38Å; L281-A285 PolarHBondContact O-N 2.88Å; L282-A285 PolarHBondContact O-N 3.46Å; D283-A285 VanDerWaalsContact C-N 3.35Å; D283-A285 PolarHBondContact O-N 2.89Å; A285-Q287 VanDerWaalsContact C-N 3.3Å; A285-Q287 PolarHBondContact O-N 3.25Å; A285-A288 PolarHBondContact O-N 3.34Å; A285-F289 HydrophobicContact CB-CE2 4.42Å; A285-F289 WeakPolarHBondContact O-CD2 3.23Å; A285-F289 PolarHBondContact O-N 3.01Å; A285-L296 HydrophobicContact CB-CD2 3.85Å; A285-L339 HydrophobicContact CB-CD1 3.45Å; A285-L339 VanDerWaalsContact CB-CD1 3.45Å; A285-I342 HydrophobicContact CB-CD1 4.03Å
286	K	98	Very high	96.6	Very high	97 Å²	97	41.3 Å²	41.3	42%	0.422	20%	0.203	S	C	.	.	H	α-helix	trans	-57.5	-44.5	175	-68.9	167.7	-160	157	0	111.3	L282 D283 F289 K290 I342	L282-K286 VanDerWaalsContact O-CG 3.25Å; L282-K286 WeakPolarHBondContact O-CG 3.36Å; L282-K286 PolarHBondContact O-N 2.74Å; D283-K286 PolarHBondContact O-N 2.68Å; D283-K286 IonicContact OD1-NZ 2.85Å; D283-K286 PolarHBondContact OD1-NZ 3.3Å; K286-F289 PolarHBondContact O-N 3.32Å; K286-K290 WeakPolarHBondContact O-CB 3.35Å; K286-K290 PolarHBondContact O-N 3.03Å; K286-I342 HydrophobicContact CG-CD1 3.63Å
287	Q	97.7	Very high	96.8	Very high	76 Å²	76	42.7 Å²	42.7	36%	0.355	21%	0.208	S	C	.	.	H	α-helix	trans	-60.2	-48.8	176.9	-176.9	-172.8	5.8	0	0	111	D283 R284 A285 F289 K290 E291	D283-Q287 WeakPolarHBondContact O-CB 3.39Å; D283-Q287 PolarHBondContact O-N 3.13Å; R284-Q287 PolarHBondContact O-N 3.45Å; A285-Q287 VanDerWaalsContact C-N 3.3Å; A285-Q287 PolarHBondContact O-N 3.25Å; Q287-F289 PolarHBondContact O-N 2.75Å; Q287-K290 WeakPolarHBondContact O-CB 3.48Å; Q287-K290 PolarHBondContact O-N 2.89Å; Q287-K290 VanDerWaalsContact O-N 3.16Å; Q287-E291 VanDerWaalsContact CG-OE1 3.24Å; Q287-E291 WeakPolarHBondContact CG-OE1 3.39Å; Q287-E291 PolarHBondContact NE2-OE1 2.94Å; Q287-E291 WeakPolarHBondContact O-CG 3.38Å; Q287-E291 PolarHBondContact O-N 3.07Å
288	A	98.1	Very high	97	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58	-46.2	179.2	0	0	0	0	0	112.2	E249 R284 A285 K290 E291 G292 V293	E249-A288 HydrophobicContact CB-CB 3.77Å; E249-A288 HydrophobicContact CG-CB 3.8Å; R284-A288 WeakPolarHBondContact O-CB 3.3Å; R284-A288 PolarHBondContact O-N 3.46Å; A285-A288 PolarHBondContact O-N 3.34Å; A288-K290 VanDerWaalsContact C-N 3.33Å; A288-K290 PolarHBondContact O-N 3.48Å; A288-E291 WeakPolarHBondContact O-CB 3.36Å; A288-E291 PolarHBondContact O-N 2.73Å; A288-E291 VanDerWaalsContact O-N 3.11Å; A288-G292 PolarHBondContact O-N 2.74Å; A288-V293 HydrophobicContact CB-CB 4.29Å; A288-V293 HydrophobicContact CB-CG2 4.08Å; A288-V293 VanDerWaalsContact O-CB 3.24Å; A288-V293 WeakPolarHBondContact O-CB 3.45Å; A288-V293 VanDerWaalsContact O-CG2 3.31Å; A288-V293 WeakPolarHBondContact O-CG2 2.93Å; A288-V293 PolarHBondContact O-N 2.85Å
289	F	98.2	Very high	97.2	Very high	21 Å²	21	41.3 Å²	41.3	9%	0.092	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-38.4	176.5	-69.9	-53.3	0	0	0	112.7	A285 K286 Q287 E291 G292 V293 L296 I343 P344 C347	A285-F289 HydrophobicContact CB-CE2 4.42Å; A285-F289 WeakPolarHBondContact O-CD2 3.23Å; A285-F289 PolarHBondContact O-N 3.01Å; K286-F289 PolarHBondContact O-N 3.32Å; Q287-F289 PolarHBondContact O-N 2.75Å; F289-E291 PolarHBondContact O-N 2.69Å; F289-G292 PolarHBondContact O-N 2.71Å; F289-G292 VanDerWaalsContact O-N 3.08Å; F289-V293 WeakPolarHBondContact CD1-O 3.32Å; F289-L296 HydrophobicContact CE1-CB 4.48Å; F289-L296 HydrophobicContact CE2-CD2 4.36Å; F289-L296 HydrophobicContact CZ-CB 3.98Å; F289-L296 HydrophobicContact CZ-CD2 4.25Å; F289-I343 HydrophobicContact CE1-CG2 4.23Å; F289-I343 HydrophobicContact CE2-CB 4.34Å; F289-I343 HydrophobicContact CE2-CG1 4.04Å; F289-I343 HydrophobicContact CE2-CG2 4.48Å; F289-I343 HydrophobicContact CZ-CB 4.17Å; F289-I343 HydrophobicContact CZ-CG1 3.91Å; F289-I343 HydrophobicContact CZ-CG2 3.86Å; F289-P344 HydrophobicContact CB-CG 3.87Å; F289-P344 HydrophobicContact CD1-CG 4.21Å; F289-P344 HydrophobicContact CD2-CG 4.43Å; F289-P344 VanDerWaalsContact CG-CD 3.45Å; F289-P344 HydrophobicContact CG-CG 3.93Å; F289-C347 HydrophobicContact CD1-CB 4.23Å; F289-C347 HydrophobicContact CE1-CB 3.86Å
290	K	97.6	Very high	97.3	Very high	194 Å²	194	39.2 Å²	39.2	84%	0.843	19%	0.19	S	C	*	.	H	α-helix	trans	-63.1	-32.2	173.8	-174.3	-178.5	177.2	-175.8	0	112.3	K286 Q287 A288 G292	K286-K290 WeakPolarHBondContact O-CB 3.35Å; K286-K290 PolarHBondContact O-N 3.03Å; Q287-K290 WeakPolarHBondContact O-CB 3.48Å; Q287-K290 PolarHBondContact O-N 2.89Å; Q287-K290 VanDerWaalsContact O-N 3.16Å; A288-K290 VanDerWaalsContact C-N 3.33Å; A288-K290 PolarHBondContact O-N 3.48Å; K290-G292 PolarHBondContact O-N 3.08Å
291	E	96.9	Very high	97.3	Very high	92 Å²	92	37.3 Å²	37.3	43%	0.43	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	1.3	175.5	-68	166.4	-179.3	0	0	113.2	R243 Q287 A288 F289	R243-E291 IonicContact CZ-OE2 2.82Å; R243-E291 IonicContact NH1-OE2 3.05Å; R243-E291 PolarHBondContact NH1-OE2 3.01Å; R243-E291 IonicContact NH2-OE2 3.61Å; R243-E291 PolarHBondContact NH2-OE2 2.86Å; Q287-E291 VanDerWaalsContact CG-OE1 3.24Å; Q287-E291 WeakPolarHBondContact CG-OE1 3.39Å; Q287-E291 PolarHBondContact NE2-OE1 2.94Å; Q287-E291 WeakPolarHBondContact O-CG 3.38Å; Q287-E291 PolarHBondContact O-N 3.07Å; A288-E291 WeakPolarHBondContact O-CB 3.36Å; A288-E291 PolarHBondContact O-N 2.73Å; A288-E291 VanDerWaalsContact O-N 3.11Å; F289-E291 PolarHBondContact O-N 2.69Å
292	G	97	Very high	97.3	Very high	34 Å²	34	37.3 Å²	37.3	35%	0.351	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	5.4	174.4	0	0	0	0	0	115.2	A288 F289 K290 K294	A288-G292 PolarHBondContact O-N 2.74Å; F289-G292 PolarHBondContact O-N 2.71Å; F289-G292 VanDerWaalsContact O-N 3.08Å; K290-G292 PolarHBondContact O-N 3.08Å; G292-K294 PolarHBondContact O-N 2.84Å
293	V	98.3	Very high	97.4	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	18%	0.178	C	C	.	.			trans	-57.1	137.2	174.1	169.2	0	0	0	0	110.3	L247 E249 A288 F289 E295	L247-V293 WeakPolarHBondContact O-CG1 3.19Å; E249-V293 HydrophobicContact CB-CG1 3.89Å; E249-V293 HydrophobicContact CB-CG2 4.18Å; A288-V293 HydrophobicContact CB-CB 4.29Å; A288-V293 HydrophobicContact CB-CG2 4.08Å; A288-V293 VanDerWaalsContact O-CB 3.24Å; A288-V293 WeakPolarHBondContact O-CB 3.45Å; A288-V293 VanDerWaalsContact O-CG2 3.31Å; A288-V293 WeakPolarHBondContact O-CG2 2.93Å; A288-V293 PolarHBondContact O-N 2.85Å; F289-V293 WeakPolarHBondContact CD1-O 3.32Å; V293-E295 WeakPolarHBondContact CG1-O 3.43Å
294	K	98.5	Very high	97.4	Very high	65 Å²	65	32.4 Å²	32.4	28%	0.283	16%	0.155	S	C	.	.			trans	-105.8	-22.7	177.8	-59.1	-61.5	-178.9	-178.6	0	112.5	L247 G292 C347 M348 L520 T522 G551	L247-K294 HydrophobicContact CB-CB 4.46Å; L247-K294 HydrophobicContact CB-CG 4.46Å; L247-K294 HydrophobicContact CD2-CG 4.03Å; L247-K294 PolarHBondContact O-N 2.95Å; G292-K294 PolarHBondContact O-N 2.84Å; K294-C347 CarbonylContact O-C 3.58Å; K294-C347 WeakPolarHBondContact O-CA 3.43Å; K294-C347 WeakPolarHBondContact O-CB 3.5Å; K294-M348 PolarHBondContact O-N 3.21Å; K294-L520 HydrophobicContact CB-CD1 4.26Å; K294-L520 HydrophobicContact CB-CD2 4.29Å; K294-T522 HydrophobicContact CB-CG2 4.1Å; K294-G551 VanDerWaalsContact CE-O 3.31Å; K294-G551 WeakPolarHBondContact CE-O 3.47Å
295	E	98.4	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129	-178	-158.7	168.4	145.9	0	0	111.7	L247 I248 E249 V293 W297 M348 Y376 T522 Y538	L247-E295 PolarHBondContact O-N 2.68Å; I248-E295 CarbonylContact C-O 3.58Å; I248-E295 WeakPolarHBondContact CA-O 3.46Å; I248-E295 HydrophobicContact CG1-CB 4.19Å; E249-E295 PolarHBondContact N-O 3.19Å; V293-E295 WeakPolarHBondContact CG1-O 3.43Å; E295-W297 VanDerWaalsContact CD-NE1 3.31Å; E295-W297 PolarHBondContact OE1-NE1 3.14Å; E295-M348 CarbonylContact C-O 3.55Å; E295-M348 VanDerWaalsContact CA-O 3.31Å; E295-M348 WeakPolarHBondContact CA-O 3.16Å; E295-Y376 VanDerWaalsContact CD-CE2 3.43Å; E295-Y376 HydrophobicContact CG-CE2 3.87Å; E295-Y376 VanDerWaalsContact OE1-CE2 3.31Å; E295-Y376 WeakPolarHBondContact OE1-CE2 3.47Å; E295-Y376 PolarHBondContact OE2-OH 3.09Å; E295-T522 HydrophobicContact CB-CG2 4.23Å; E295-T522 PolarHBondContact OE2-OG1 3.26Å; E295-T522 VanDerWaalsContact OE2-OG1 3.09Å; E295-Y538 VanDerWaalsContact OE1-CE2 3.25Å; E295-Y538 WeakPolarHBondContact OE1-CE2 3.36Å; E295-Y538 PolarHBondContact OE1-OH 2.81Å
296	L	98.6	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.8	174	-173.5	65.3	0	0	0	108.9	E249 L251 A285 F289 L298 L339 M348 L349 R350	E249-L296 HydrophobicContact CB-CD1 3.68Å; E249-L296 HydrophobicContact CG-CD1 3.59Å; L251-L296 HydrophobicContact CB-CD1 3.79Å; L251-L296 HydrophobicContact CD2-CD1 4.14Å; L251-L296 HydrophobicContact CD2-CD2 4.29Å; A285-L296 HydrophobicContact CB-CD2 3.85Å; F289-L296 HydrophobicContact CE1-CB 4.48Å; F289-L296 HydrophobicContact CE2-CD2 4.36Å; F289-L296 HydrophobicContact CZ-CB 3.98Å; F289-L296 HydrophobicContact CZ-CD2 4.25Å; L296-L298 HydrophobicContact CD2-CD2 4.32Å; L296-L298 HydrophobicContact CG-CD2 4.35Å; L296-L339 HydrophobicContact CD2-CD1 3.87Å; L296-L339 HydrophobicContact CD2-CD2 3.9Å; L296-L339 HydrophobicContact CD2-CG 4.17Å; L296-M348 PolarHBondContact N-O 3.44Å; L296-L349 HydrophobicContact CB-CD1 3.96Å; L296-L349 HydrophobicContact CD2-CD1 3.9Å; L296-L349 HydrophobicContact CG-CD1 3.98Å; L296-L349 WeakPolarHBondContact O-CA 3.31Å; L296-L349 WeakPolarHBondContact O-CD1 3.24Å; L296-R350 PolarHBondContact O-N 3.21Å
297	W	98.6	Very high	97.2	Very high	40 Å²	40	27.3 Å²	27.3	15%	0.152	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	107.8	174.2	-71	7.1	0	0	0	109.3	A56 I248 E249 I250 L251 E295 T299 R350 Y538	A56-W297 HydrophobicContact CB-CE3 4.39Å; I248-W297 HydrophobicContact CD1-CH2 4.36Å; I248-W297 HydrophobicContact CD1-CZ2 3.78Å; I248-W297 HydrophobicContact CG2-CD2 3.72Å; I248-W297 HydrophobicContact CG2-CE3 4.3Å; I248-W297 HydrophobicContact CG2-CG 3.85Å; I248-W297 HydrophobicContact CG2-CZ2 4.24Å; E249-W297 PolarHBondContact O-N 3.16Å; I250-W297 HydrophobicContact CD1-CE3 4.3Å; I250-W297 HydrophobicContact CG1-CB 4.45Å; I250-W297 HydrophobicContact CG1-CE3 4.01Å; L251-W297 PolarHBondContact N-O 3.42Å; E295-W297 VanDerWaalsContact CD-NE1 3.31Å; E295-W297 PolarHBondContact OE1-NE1 3.14Å; W297-T299 PolarHBondContact O-N 3.21Å; W297-R350 HydrophobicContact CG-CB 4.39Å; W297-Y538 VanDerWaalsContact CZ2-OH 3.26Å; W297-Y538 WeakPolarHBondContact CZ2-OH 3.18Å
298	L	98.4	Very high	97.1	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	125.6	168.8	-63.1	-171.9	0	0	0	109.5	L251 I253 L296 L303 L336 L339 L349 R350 L351 G352	L251-L298 HydrophobicContact CB-CD2 4.06Å; L251-L298 HydrophobicContact CD2-CD2 3.88Å; L251-L298 HydrophobicContact CG-CD2 4.2Å; I253-L298 HydrophobicContact CG2-CB 4.42Å; I253-L298 HydrophobicContact CG2-CD2 3.74Å; I253-L298 HydrophobicContact CG2-CG 4.45Å; L296-L298 HydrophobicContact CD2-CD2 4.32Å; L296-L298 HydrophobicContact CG-CD2 4.35Å; L298-L303 HydrophobicContact CB-CD1 4.17Å; L298-L303 HydrophobicContact CB-CD2 4.13Å; L298-L336 HydrophobicContact CD1-CD2 3.78Å; L298-L339 HydrophobicContact CD1-CD2 3.67Å; L298-L339 HydrophobicContact CD2-CD2 3.76Å; L298-L339 HydrophobicContact CG-CD2 4.08Å; L298-L349 HydrophobicContact CD1-CD1 4.09Å; L298-L349 HydrophobicContact CD1-CD2 4.5Å; L298-L349 HydrophobicContact CD2-CD1 4.26Å; L298-L349 HydrophobicContact CG-CD1 3.7Å; L298-R350 PolarHBondContact N-O 2.74Å; L298-L351 HydrophobicContact CD1-CD2 3.91Å; L298-G352 VanDerWaalsContact O-CA 3.3Å; L298-G352 WeakPolarHBondContact O-CA 3.35Å; L298-G352 PolarHBondContact O-N 3.24Å
299	T	96.7	Very high	96.9	Very high	13 Å²	13	29.9 Å²	29.9	8%	0.08	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.2	177.8	-170	0	0	0	0	111.4	A56 H57 I250 L251 A252 I253 W297	A56-T299 HydrophobicContact CB-CG2 4.48Å; H57-T299 HydrophobicContact CB-CG2 4.43Å; I250-T299 HydrophobicContact CG2-CG2 3.53Å; L251-T299 PolarHBondContact O-N 3.28Å; A252-T299 VanDerWaalsContact CA-O 3.31Å; A252-T299 WeakPolarHBondContact CA-O 3.26Å; A252-T299 HydrophobicContact CB-CG2 3.95Å; I253-T299 PolarHBondContact N-O 3.44Å; W297-T299 PolarHBondContact O-N 3.21Å
300	S	95.6	Very high	96.7	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.063	15%	0.147	C	C	.	.			trans	-162.7	169.3	169.3	176.3	0	0	0	0	107.1	S254 D302	S254-S300 WeakPolarHBondContact OG-CB 3.46Å; S254-S300 PolarHBondContact OG-OG 2.6Å; S300-D302 PolarHBondContact O-N 3.36Å; S300-D302 PolarHBondContact OG-N 3.14Å; S300-D302 VanDerWaalsContact OG-N 3.12Å; S300-D302 PolarHBondContact OG-O 3.14Å
301	E	94	Very high	96.4	Very high	25 Å²	25	24.7 Å²	24.7	12%	0.117	13%	0.127	C	C	.	.	S	Bend	trans	-62.2	-28.9	162.6	-70.4	63.3	-126.2	0	0	111.5	H57 T255 G256 C257 T266 R270	H57-E301 IonicContact CE1-OE1 3.99Å; H57-E301 IonicContact CE1-OE2 3.66Å; H57-E301 IonicContact CG-OE1 3.11Å; H57-E301 IonicContact ND1-OE1 3.82Å; H57-E301 PolarHBondContact ND1-OE1 3.41Å; H57-E301 IonicContact ND1-OE2 3.61Å; T255-E301 WeakPolarHBondContact CA-OE2 3.47Å; G256-E301 PolarHBondContact N-OE2 2.91Å; C257-E301 HydrophobicContact CB-CB 4.09Å; T266-E301 HydrophobicContact CG2-CG 3.56Å; R270-E301 WeakPolarHBondContact CD-OE1 3.25Å; R270-E301 IonicContact CZ-OE1 2.64Å; R270-E301 IonicContact NE-OE1 3.79Å; R270-E301 PolarHBondContact NE-OE1 2.94Å; R270-E301 VanDerWaalsContact NE-OE1 3.11Å
302	D	96	Very high	96.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.			trans	-158.1	102.9	173.7	-167.1	-14.3	0	0	0	111.1	N259 S300 G304 A305 T354 N355 Y358	N259-D302 PolarHBondContact ND2-OD2 3.39Å; S300-D302 PolarHBondContact O-N 3.36Å; S300-D302 PolarHBondContact OG-N 3.14Å; S300-D302 VanDerWaalsContact OG-N 3.12Å; S300-D302 PolarHBondContact OG-O 3.14Å; D302-G304 VanDerWaalsContact C-N 3.29Å; D302-G304 PolarHBondContact O-N 2.67Å; D302-G304 PolarHBondContact OD1-N 3.45Å; D302-G304 VanDerWaalsContact OD1-N 3.17Å; D302-A305 HydrophobicContact CB-CB 4.1Å; D302-A305 PolarHBondContact O-N 3.18Å; D302-T354 WeakPolarHBondContact OD1-CA 3.5Å; D302-T354 PolarHBondContact OD1-OG1 3.16Å; D302-N355 PolarHBondContact OD1-N 2.75Å; D302-N355 VanDerWaalsContact OD2-CB 3.31Å; D302-N355 WeakPolarHBondContact OD2-CB 3.2Å; D302-N355 PolarHBondContact OD2-ND2 2.9Å; D302-Y358 WeakPolarHBondContact OD2-CD2 3.36Å; D302-Y358 WeakPolarHBondContact OD2-CE2 3.42Å
303	L	97.7	Very high	95.5	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-61.9	-38.2	179.4	-69.6	-177.5	0	0	0	112.4	I253 L298 A305 Y306 L332 L351 M353	I253-L303 HydrophobicContact CD1-CD2 3.3Å; I253-L303 HydrophobicContact CG1-CD2 3.58Å; L298-L303 HydrophobicContact CB-CD1 4.17Å; L298-L303 HydrophobicContact CB-CD2 4.13Å; L303-A305 PolarHBondContact O-N 3.27Å; L303-Y306 WeakPolarHBondContact O-CB 3.01Å; L303-Y306 PolarHBondContact O-N 2.81Å; L303-L332 HydrophobicContact CB-CD1 4.34Å; L303-L332 HydrophobicContact CB-CD2 3.96Å; L303-L351 HydrophobicContact CD1-CB 4.31Å; L303-M353 WeakPolarHBondContact CB-O 3.31Å; L303-M353 WeakPolarHBondContact CG-O 3.17Å; L303-M353 PolarHBondContact N-O 2.94Å
304	G	96.7	Very high	94.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-63.9	-25.3	-175.7	0	0	0	0	0	112.7	D302 Y306 T354 Y358	D302-G304 VanDerWaalsContact C-N 3.29Å; D302-G304 PolarHBondContact O-N 2.67Å; D302-G304 PolarHBondContact OD1-N 3.45Å; D302-G304 VanDerWaalsContact OD1-N 3.17Å; G304-Y306 VanDerWaalsContact C-N 3.32Å; G304-T354 VanDerWaalsContact CA-OG1 3.26Å; G304-T354 WeakPolarHBondContact CA-OG1 3.23Å; G304-T354 PolarHBondContact N-OG1 3.42Å; G304-T354 VanDerWaalsContact N-OG1 3.17Å; G304-Y358 WeakPolarHBondContact O-CB 3.08Å
305	A	96.7	Very high	93.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-80.2	-9.6	177.5	0	0	0	0	0	113.7	L258 L273 D302 L303 G307 R308 Y358	L258-A305 HydrophobicContact CD1-CB 4.22Å; L273-A305 HydrophobicContact CD2-CB 4.29Å; L273-A305 WeakPolarHBondContact CD2-O 3.34Å; D302-A305 HydrophobicContact CB-CB 4.1Å; D302-A305 PolarHBondContact O-N 3.18Å; L303-A305 PolarHBondContact O-N 3.27Å; A305-G307 PolarHBondContact O-N 2.76Å; A305-R308 WeakPolarHBondContact O-CB 3.27Å; A305-R308 WeakPolarHBondContact O-CG 3.33Å; A305-R308 PolarHBondContact O-N 3.23Å; A305-Y358 HydrophobicContact CB-CD1 4.31Å; A305-Y358 HydrophobicContact CB-CD2 3.97Å; A305-Y358 HydrophobicContact CB-CE1 4.47Å; A305-Y358 HydrophobicContact CB-CE2 4.12Å; A305-Y358 HydrophobicContact CB-CG 4.05Å
306	Y	96.7	Very high	92.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	137.7	-176.3	171.9	-91.1	0	0	0	112.6	I253 Y276 I278 L281 L303 G304 R308 I330 L332 L335	I253-Y306 HydrophobicContact CB-CD2 3.93Å; I253-Y306 HydrophobicContact CB-CE2 4.12Å; I253-Y306 HydrophobicContact CD1-CD1 4.5Å; I253-Y306 HydrophobicContact CD1-CD2 3.58Å; I253-Y306 HydrophobicContact CD1-CE2 4.4Å; I253-Y306 HydrophobicContact CD1-CG 3.63Å; I253-Y306 HydrophobicContact CG1-CD2 3.74Å; I253-Y306 HydrophobicContact CG1-CE2 4.43Å; I253-Y306 HydrophobicContact CG1-CG 4.3Å; I253-Y306 WeakPolarHBondContact O-CD2 3.49Å; I253-Y306 VanDerWaalsContact O-CE2 3.3Å; I253-Y306 WeakPolarHBondContact O-CE2 3.38Å; Y276-Y306 VanDerWaalsContact O-CE2 3.31Å; Y276-Y306 WeakPolarHBondContact O-CE2 3.36Å; Y276-Y306 PolarHBondContact O-OH 3.25Å; I278-Y306 HydrophobicContact CG1-CE1 4.37Å; I278-Y306 WeakPolarHBondContact CG1-OH 3.33Å; I278-Y306 PolarHBondContact N-OH 2.83Å; L281-Y306 HydrophobicContact CD1-CE2 3.63Å; L281-Y306 WeakPolarHBondContact CD1-OH 3.49Å; L303-Y306 WeakPolarHBondContact O-CB 3.01Å; L303-Y306 PolarHBondContact O-N 2.81Å; G304-Y306 VanDerWaalsContact C-N 3.32Å; Y306-R308 VanDerWaalsContact C-N 3.27Å; Y306-R308 PolarHBondContact O-N 3.25Å; Y306-I330 HydrophobicContact CE1-CG2 4.03Å; Y306-L332 PolarHBondContact O-N 3.46Å; Y306-L335 HydrophobicContact CD1-CB 4.12Å; Y306-L335 HydrophobicContact CD1-CD2 4.15Å; Y306-L335 HydrophobicContact CD2-CD2 4.49Å; Y306-L335 HydrophobicContact CE1-CB 3.6Å; Y306-L335 HydrophobicContact CE1-CD2 3.87Å; Y306-L335 HydrophobicContact CE1-CG 4.29Å; Y306-L335 HydrophobicContact CE2-CD2 4.22Å; Y306-L335 HydrophobicContact CG-CD2 4.45Å
307	G	94.9	Very high	91.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-8.5	172.2	0	0	0	0	0	115	S275 A305 D309 L310 I330	S275-G307 PolarHBondContact OG-N 3.25Å; S275-G307 VanDerWaalsContact OG-N 3.08Å; A305-G307 PolarHBondContact O-N 2.76Å; G307-D309 PolarHBondContact O-N 2.81Å; G307-D309 VanDerWaalsContact O-N 3.16Å; G307-L310 PolarHBondContact O-N 3.48Å; G307-L310 VanDerWaalsContact O-O 3.13Å; G307-I330 CarbonylContact C-O 3.46Å; G307-I330 VanDerWaalsContact CA-O 3.25Å; G307-I330 WeakPolarHBondContact CA-O 3.03Å; G307-I330 PolarHBondContact O-N 3.03Å
308	R	94.8	Very high	90.1	Very high	62 Å²	62	29.4 Å²	29.4	23%	0.234	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.5	177.7	-70.9	-174.1	178	-107	3.6	114	L258 L273 A305 Y306 I330 D361	L258-R308 HydrophobicContact CD1-CB 4.1Å; L273-R308 HydrophobicContact CD2-CB 4.19Å; A305-R308 WeakPolarHBondContact O-CB 3.27Å; A305-R308 WeakPolarHBondContact O-CG 3.33Å; A305-R308 PolarHBondContact O-N 3.23Å; Y306-R308 VanDerWaalsContact C-N 3.27Å; Y306-R308 PolarHBondContact O-N 3.25Å; R308-I330 PolarHBondContact N-O 3.25Å; R308-D361 IonicContact CZ-OD2 2.66Å; R308-D361 IonicContact NH1-OD2 3.84Å; R308-D361 IonicContact NH2-OD2 3.84Å; R308-D361 PolarHBondContact NH2-OD2 2.88Å
309	D	95.2	Very high	88.9	Confident	67 Å²	67	29.2 Å²	29.2	36%	0.358	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-3	174.7	63.9	-55.8	0	0	0	113.5	L273 A274 S275 G307	L273-D309 HydrophobicContact CD2-CB 4.33Å; L273-D309 WeakPolarHBondContact CD2-OD1 3.16Å; A274-D309 VanDerWaalsContact CA-OD2 3.26Å; A274-D309 WeakPolarHBondContact CA-OD2 3.39Å; S275-D309 WeakPolarHBondContact CB-OD1 3.45Å; S275-D309 PolarHBondContact N-OD2 2.87Å; S275-D309 PolarHBondContact OG-OD1 3.08Å; G307-D309 PolarHBondContact O-N 2.81Å; G307-D309 VanDerWaalsContact O-N 3.16Å
310	L	93.7	Very high	87.4	Confident	27 Å²	27	31.4 Å²	31.4	14%	0.141	18%	0.176	C	C	.	.	S	Bend	trans	-105.5	121.8	179	-59.4	-179.5	0	0	0	110.5	G307 R312 H329 I330	G307-L310 PolarHBondContact O-N 3.48Å; G307-L310 VanDerWaalsContact O-O 3.13Å; L310-R312 PolarHBondContact O-N 2.86Å; L310-H329 VanDerWaalsContact O-CA 3.23Å; L310-H329 WeakPolarHBondContact O-CA 3.3Å; L310-H329 WeakPolarHBondContact O-CB 3.32Å; L310-I330 HydrophobicContact CB-CB 4.36Å; L310-I330 HydrophobicContact CB-CD1 3.83Å; L310-I330 HydrophobicContact CB-CG1 4.21Å; L310-I330 HydrophobicContact CD1-CD1 4.16Å; L310-I330 PolarHBondContact O-N 3.16Å; L310-I330 VanDerWaalsContact O-N 3.15Å
311	D	91.6	Very high	86.2	Confident	80 Å²	80	33.1 Å²	33.1	43%	0.428	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-62.9	122.7	173.8	-178.6	-20.4	0	0	0	109.8	T313 T314	D311-T313 PolarHBondContact O-N 2.66Å; D311-T313 VanDerWaalsContact O-N 3.09Å; D311-T313 WeakPolarHBondContact OD1-CB 3.48Å; D311-T313 WeakPolarHBondContact OD1-CG2 3.21Å; D311-T313 PolarHBondContact OD1-N 3.07Å; D311-T313 PolarHBondContact OD1-OG1 3.43Å; D311-T313 PolarHBondContact OD2-OG1 3.27Å; D311-T313 VanDerWaalsContact OD2-OG1 3.07Å; D311-T314 HydrophobicContact CB-CG2 4.01Å; D311-T314 WeakPolarHBondContact O-CB 3.44Å; D311-T314 PolarHBondContact O-N 2.98Å; D311-T314 PolarHBondContact O-OG1 3.21Å
312	R	89.8	Confident	85.3	Confident	12 Å²	12	32 Å²	32	5%	0.045	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-56.8	-27.1	179.7	178.8	174	-69.6	-79.3	-2.7	112.8	L310 T314 S315 I318 W326 H328 H329 D334 K603	L310-R312 PolarHBondContact O-N 2.86Å; R312-T314 PolarHBondContact O-N 3.29Å; R312-S315 PolarHBondContact O-N 3Å; R312-I318 HydrophobicContact CG-CG2 4.48Å; R312-W326 PolarHBondContact NE-O 3.31Å; R312-W326 PolarHBondContact NH2-O 2.62Å; R312-H328 PolarHBondContact N-O 2.85Å; R312-H328 VanDerWaalsContact N-O 3.11Å; R312-H329 VanDerWaalsContact CZ-O 3.29Å; R312-H329 PolarHBondContact NE-O 3.26Å; R312-H329 VanDerWaalsContact NE-O 3.1Å; R312-H329 PolarHBondContact NH2-O 3.16Å; R312-D334 IonicContact CZ-OD1 3.67Å; R312-D334 IonicContact CZ-OD2 3.4Å; R312-D334 VanDerWaalsContact NH1-CG 3.32Å; R312-D334 IonicContact NH1-OD1 2.78Å; R312-D334 PolarHBondContact NH1-OD1 3.3Å; R312-D334 IonicContact NH1-OD2 3.26Å; R312-D334 PolarHBondContact NH1-OD2 3.49Å; R312-D334 IonicContact NH2-OD1 3.65Å; R312-D334 IonicContact NH2-OD2 2.7Å; R312-D334 PolarHBondContact NH2-OD2 2.81Å; R312-K603 PolarHBondContact O-NZ 2.75Å
313	T	84	Confident	84.4	Confident	100 Å²	100	33.5 Å²	33.5	61%	0.613	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-64.6	-25.7	177.9	66.6	0	0	0	0	112.4	D311 K603	D311-T313 PolarHBondContact O-N 2.66Å; D311-T313 VanDerWaalsContact O-N 3.09Å; D311-T313 WeakPolarHBondContact OD1-CB 3.48Å; D311-T313 WeakPolarHBondContact OD1-CG2 3.21Å; D311-T313 PolarHBondContact OD1-N 3.07Å; D311-T313 PolarHBondContact OD1-OG1 3.43Å; D311-T313 PolarHBondContact OD2-OG1 3.27Å; D311-T313 VanDerWaalsContact OD2-OG1 3.07Å; T313-K603 VanDerWaalsContact C-NZ 3.34Å; T313-K603 VanDerWaalsContact CA-NZ 3.34Å; T313-K603 PolarHBondContact O-NZ 3.19Å
314	T	79.3	Confident	83.6	Confident	99 Å²	99	41.7 Å²	41.7	61%	0.607	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-79.2	-22.8	-177.7	67.6	0	0	0	0	114.3	D311 R312	D311-T314 HydrophobicContact CB-CG2 4.01Å; D311-T314 WeakPolarHBondContact O-CB 3.44Å; D311-T314 PolarHBondContact O-N 2.98Å; D311-T314 PolarHBondContact O-OG1 3.21Å; R312-T314 PolarHBondContact O-N 3.29Å
315	S	80.6	Confident	83.1	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.021	26%	0.264	C	S	.	.			trans	-78.1	133.3	173.8	179.5	0	0	0	0	110.6	R312 L317 K603	R312-S315 PolarHBondContact O-N 3Å; S315-L317 WeakPolarHBondContact CB-O 3.48Å; S315-L317 PolarHBondContact O-N 2.82Å; S315-L317 PolarHBondContact OG-N 2.85Å; S315-L317 VanDerWaalsContact OG-N 3.1Å; S315-L317 PolarHBondContact OG-O 2.9Å; S315-K603 PolarHBondContact O-NZ 2.5Å
316	S	75.3	Confident	82.7	Confident	52 Å²	52	50 Å²	50	36%	0.364	27%	0.274	S	S	.	.	S	Bend	trans	-70.9	-23.6	170.4	58.6	0	0	0	0	111.9	E279 E602 K603	E279-S316 PolarHBondContact OE1-N 3.11Å; E279-S316 PolarHBondContact OE1-OG 3.37Å; S316-E602 WeakPolarHBondContact O-CA 3.29Å; S316-K603 PolarHBondContact O-N 3.38Å
317	L	73.1	Confident	82.3	Confident	29 Å²	29	53.1 Å²	53.1	15%	0.152	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.8	-173.6	-60.4	170.5	0	0	0	111.1	I278 L282 S315 L600 E602	I278-L317 HydrophobicContact CG2-CD1 4Å; L282-L317 HydrophobicContact CD1-CD1 3.61Å; S315-L317 WeakPolarHBondContact CB-O 3.48Å; S315-L317 PolarHBondContact O-N 2.82Å; S315-L317 PolarHBondContact OG-N 2.85Å; S315-L317 VanDerWaalsContact OG-N 3.1Å; S315-L317 PolarHBondContact OG-O 2.9Å; L317-L600 HydrophobicContact CB-CB 3.96Å; L317-L600 HydrophobicContact CB-CD1 3.7Å; L317-L600 HydrophobicContact CB-CD2 4.26Å; L317-L600 HydrophobicContact CB-CG 4.18Å; L317-L600 HydrophobicContact CD1-CD1 3.78Å; L317-L600 HydrophobicContact CD2-CB 3.92Å; L317-L600 HydrophobicContact CG-CB 4.39Å; L317-L600 HydrophobicContact CG-CD1 4.19Å; L317-E602 HydrophobicContact CD2-CG 4.35Å
318	I	70.7	Confident	82	Confident	35 Å²	35	60.3 Å²	60.3	18%	0.179	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.2	177.9	54.6	170.2	0	0	0	111.8	R312 P320 L600 V601 K603	R312-I318 HydrophobicContact CG-CG2 4.48Å; I318-P320 WeakPolarHBondContact O-CD 3.5Å; I318-L600 WeakPolarHBondContact O-CD2 3.38Å; I318-V601 PolarHBondContact N-O 3.41Å; I318-V601 PolarHBondContact O-N 3.45Å; I318-K603 HydrophobicContact CD1-CG 4.27Å; I318-K603 HydrophobicContact CG2-CG 4.39Å
319	C	72.8	Confident	82	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.324	C	S	.	.			trans	-91.3	111.6	160.1	-179.1	0	0	0	0	109.3	G321 L322 S323 D334 L600	C319-G321 PolarHBondContact O-N 2.93Å; C319-L322 HydrophobicContact CB-CB 4.36Å; C319-L322 HydrophobicContact CB-CD1 4.42Å; C319-L322 PolarHBondContact O-N 2.75Å; C319-S323 WeakPolarHBondContact O-CB 3.29Å; C319-S323 PolarHBondContact O-N 2.86Å; C319-S323 PolarHBondContact O-OG 2.77Å; C319-D334 VanDerWaalsContact CB-OD1 3.25Å; C319-D334 WeakPolarHBondContact CB-OD1 3.34Å; C319-D334 PolarHBondContact N-OD1 3.27Å; C319-D334 VanDerWaalsContact N-OD1 3.14Å; C319-L600 HydrophobicContact CB-CD2 4.41Å
320	P	67	Low	81.9	Confident	58 Å²	58	55.7 Å²	55.7	38%	0.377	31%	0.308	S	S	.	.	H	α-helix	trans	-48.9	-51.1	-178.2	-30.5	31	0	0	0	114.9	I318 L322 S323 E324 P598	I318-P320 WeakPolarHBondContact O-CD 3.5Å; P320-L322 PolarHBondContact O-N 2.86Å; P320-S323 PolarHBondContact O-N 2.85Å; P320-S323 PolarHBondContact O-OG 3.32Å; P320-E324 PolarHBondContact O-N 3.47Å; P320-P598 HydrophobicContact CG-CG 4.29Å
321	G	70	Confident	81.8	Confident	46 Å²	46	54.4 Å²	54.4	47%	0.474	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-41.1	-175.2	0	0	0	0	0	113.6	C319	C319-G321 PolarHBondContact O-N 2.93Å
322	L	75.2	Confident	82	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-78.8	-27.5	178.9	-76.1	168.4	0	0	0	113.3	C319 P320 E324 K325 W326 A333 Q362 E365 L597	C319-L322 HydrophobicContact CB-CB 4.36Å; C319-L322 HydrophobicContact CB-CD1 4.42Å; C319-L322 PolarHBondContact O-N 2.75Å; P320-L322 PolarHBondContact O-N 2.86Å; L322-E324 PolarHBondContact O-N 3.4Å; L322-K325 PolarHBondContact O-N 2.77Å; L322-W326 PolarHBondContact O-N 2.93Å; L322-A333 HydrophobicContact CD1-CB 3.28Å; L322-Q362 HydrophobicContact CD2-CG 4.46Å; L322-E365 HydrophobicContact CD1-CG 4.03Å; L322-E365 HydrophobicContact CD2-CG 4.24Å; L322-E365 WeakPolarHBondContact CD2-OE1 3.39Å; L322-E365 HydrophobicContact CG-CG 4.23Å; L322-L597 HydrophobicContact CD1-CD2 3.82Å
323	S	77	Confident	82.1	Confident	31 Å²	31	50.1 Å²	50.1	22%	0.217	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-25.7	177.4	71.3	0	0	0	0	113.1	C319 P320 S327	C319-S323 WeakPolarHBondContact O-CB 3.29Å; C319-S323 PolarHBondContact O-N 2.86Å; C319-S323 PolarHBondContact O-OG 2.77Å; P320-S323 PolarHBondContact O-N 2.85Å; P320-S323 PolarHBondContact O-OG 3.32Å; S323-S327 VanDerWaalsContact O-CA 3.26Å; S323-S327 WeakPolarHBondContact O-CA 2.97Å; S323-S327 PolarHBondContact O-N 3.04Å
324	E	81.6	Confident	82.5	Confident	173 Å²	173	45.4 Å²	45.4	81%	0.808	25%	0.25	S	S	*	.	H	α-helix	trans	-73	-45.4	173.6	-171.1	176.1	-178.6	0	0	111.4	P320 L322	P320-E324 PolarHBondContact O-N 3.47Å; L322-E324 PolarHBondContact O-N 3.4Å
325	K	85.5	Confident	83.2	Confident	118 Å²	118	40.7 Å²	40.7	51%	0.513	22%	0.222	S	C	.	.	H	α-helix	trans	-70.3	-41.3	178.6	-172.4	179.3	178.7	-176	0	112.7	L322 D361	L322-K325 PolarHBondContact O-N 2.77Å; K325-D361 PolarHBondContact NZ-O 3.31Å
326	W	87.8	Confident	83.9	Confident	56 Å²	56	40.6 Å²	40.6	21%	0.212	22%	0.221	C	C	.	.	S	Bend	trans	-124.1	68.6	-174	-63.2	113.4	0	0	0	111.1	R312 L322 H328 H329 T331 D361	R312-W326 PolarHBondContact NE-O 3.31Å; R312-W326 PolarHBondContact NH2-O 2.62Å; L322-W326 PolarHBondContact O-N 2.93Å; W326-H328 VanDerWaalsContact C-N 3.31Å; W326-H328 PolarHBondContact O-N 3Å; W326-H329 AromaticContact CD2-CE1 3.98Å; W326-H329 AromaticContact CD2-NE2 3.97Å; W326-H329 AromaticContact CE3-CE1 3.27Å; W326-H329 AromaticContact CE3-NE2 3.7Å; W326-H329 AromaticContact CZ3-CE1 3.82Å; W326-H329 VanDerWaalsContact O-O 3.11Å; W326-T331 HydrophobicContact CB-CG2 4Å; W326-T331 HydrophobicContact CG-CG2 4.01Å; W326-D361 HydrophobicContact CZ2-CB 3.7Å; W326-D361 WeakPolarHBondContact CZ2-OD2 3.36Å
327	S	87.8	Confident	84.6	Confident	66 Å²	66	38.1 Å²	38.1	46%	0.462	20%	0.204	S	C	.	.	S	Bend	trans	-67.4	-24.7	-172	60.1	0	0	0	0	115.2	S323	S323-S327 VanDerWaalsContact O-CA 3.26Å; S323-S327 WeakPolarHBondContact O-CA 2.97Å; S323-S327 PolarHBondContact O-N 3.04Å
328	H	90.5	Very high	85.4	Confident	151 Å²	151	37.1 Å²	37.1	70%	0.699	20%	0.2	S	C	*	.	S	Bend	trans	-91.9	-27.6	-172.7	-61.4	-61.3	0	0	0	114.5	R312 W326	R312-H328 PolarHBondContact N-O 2.85Å; R312-H328 VanDerWaalsContact N-O 3.11Å; W326-H328 VanDerWaalsContact C-N 3.31Å; W326-H328 PolarHBondContact O-N 3Å
329	H	93.2	Very high	86.5	Confident	29 Å²	29	35.5 Å²	35.5	13%	0.134	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-138.8	158.8	-172.2	63.7	-93.2	0	0	0	112.9	L310 R312 W326	L310-H329 VanDerWaalsContact O-CA 3.23Å; L310-H329 WeakPolarHBondContact O-CA 3.3Å; L310-H329 WeakPolarHBondContact O-CB 3.32Å; R312-H329 VanDerWaalsContact CZ-O 3.29Å; R312-H329 PolarHBondContact NE-O 3.26Å; R312-H329 VanDerWaalsContact NE-O 3.1Å; R312-H329 PolarHBondContact NH2-O 3.16Å; W326-H329 AromaticContact CD2-CE1 3.98Å; W326-H329 AromaticContact CD2-NE2 3.97Å; W326-H329 AromaticContact CE3-CE1 3.27Å; W326-H329 AromaticContact CE3-NE2 3.7Å; W326-H329 AromaticContact CZ3-CE1 3.82Å; W326-H329 VanDerWaalsContact O-O 3.11Å
330	I	92.6	Very high	87.6	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.015	19%	0.192	C	C	.	.			trans	-76.1	150.8	175.9	-60.4	177.5	0	0	0	109.8	I278 Y306 G307 R308 L310 D334	I278-I330 HydrophobicContact CD1-CD1 4.34Å; I278-I330 HydrophobicContact CD1-CG2 3.58Å; I278-I330 HydrophobicContact CG1-CG2 4.15Å; Y306-I330 HydrophobicContact CE1-CG2 4.03Å; G307-I330 CarbonylContact C-O 3.46Å; G307-I330 VanDerWaalsContact CA-O 3.25Å; G307-I330 WeakPolarHBondContact CA-O 3.03Å; G307-I330 PolarHBondContact O-N 3.03Å; R308-I330 PolarHBondContact N-O 3.25Å; L310-I330 HydrophobicContact CB-CB 4.36Å; L310-I330 HydrophobicContact CB-CD1 3.83Å; L310-I330 HydrophobicContact CB-CG1 4.21Å; L310-I330 HydrophobicContact CD1-CD1 4.16Å; L310-I330 PolarHBondContact O-N 3.16Å; L310-I330 VanDerWaalsContact O-N 3.15Å; I330-D334 HydrophobicContact CG2-CB 3.94Å
331	T	93.4	Very high	88.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.			trans	-115.8	164.7	176.6	68.5	0	0	0	0	112.5	W326 A333 D334 L335	W326-T331 HydrophobicContact CB-CG2 4Å; W326-T331 HydrophobicContact CG-CG2 4.01Å; T331-A333 PolarHBondContact O-N 3.22Å; T331-D334 WeakPolarHBondContact CB-OD2 3.34Å; T331-D334 PolarHBondContact N-OD2 3.14Å; T331-D334 WeakPolarHBondContact O-CB 3.27Å; T331-D334 PolarHBondContact O-N 3.28Å; T331-D334 PolarHBondContact OG1-N 3.45Å; T331-D334 VanDerWaalsContact OG1-N 3.16Å; T331-D334 PolarHBondContact OG1-OD2 3.09Å; T331-L335 PolarHBondContact O-N 3.27Å
332	L	95.2	Very high	89.9	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-55.6	-41.6	170.3	175.3	63.2	0	0	0	111.1	I253 L303 Y306 D334 L335 L336 I359 I366	I253-L332 HydrophobicContact CD1-CD1 3.8Å; L303-L332 HydrophobicContact CB-CD1 4.34Å; L303-L332 HydrophobicContact CB-CD2 3.96Å; Y306-L332 PolarHBondContact O-N 3.46Å; L332-D334 VanDerWaalsContact C-N 3.34Å; L332-D334 PolarHBondContact O-N 3.15Å; L332-L335 WeakPolarHBondContact O-CB 3.42Å; L332-L335 PolarHBondContact O-N 2.83Å; L332-L335 VanDerWaalsContact O-N 3.16Å; L332-L336 HydrophobicContact CD1-CD1 4.22Å; L332-L336 HydrophobicContact CD1-CG 4.28Å; L332-L336 HydrophobicContact CD2-CD1 4.26Å; L332-L336 HydrophobicContact CG-CD1 3.79Å; L332-L336 HydrophobicContact CG-CG 4.29Å; L332-L336 WeakPolarHBondContact O-CG 3.17Å; L332-L336 PolarHBondContact O-N 3.35Å; L332-I359 HydrophobicContact CD2-CD1 4.46Å; L332-I366 HydrophobicContact CD2-CD1 3.77Å; L332-I366 HydrophobicContact CG-CD1 4.26Å
333	A	92.7	Very high	90.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.1	-33.8	-180	0	0	0	0	0	113	L322 T331 L335 L336 A337 Q362 E365 L597	L322-A333 HydrophobicContact CD1-CB 3.28Å; T331-A333 PolarHBondContact O-N 3.22Å; A333-L335 PolarHBondContact O-N 3.25Å; A333-L336 PolarHBondContact O-N 3.24Å; A333-A337 WeakPolarHBondContact O-CB 3.44Å; A333-A337 PolarHBondContact O-N 3.24Å; A333-Q362 HydrophobicContact CB-CB 4.46Å; A333-E365 HydrophobicContact CB-CB 3.85Å; A333-E365 HydrophobicContact CB-CG 4.41Å; A333-L597 HydrophobicContact CB-CD2 3.84Å
334	D	91.5	Very high	91.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-44.2	169.9	-67.3	-79.1	0	0	0	111.9	I278 R312 C319 I330 T331 L332 A337 G338	I278-D334 HydrophobicContact CD1-CB 4.01Å; R312-D334 IonicContact CZ-OD1 3.67Å; R312-D334 IonicContact CZ-OD2 3.4Å; R312-D334 VanDerWaalsContact NH1-CG 3.32Å; R312-D334 IonicContact NH1-OD1 2.78Å; R312-D334 PolarHBondContact NH1-OD1 3.3Å; R312-D334 IonicContact NH1-OD2 3.26Å; R312-D334 PolarHBondContact NH1-OD2 3.49Å; R312-D334 IonicContact NH2-OD1 3.65Å; R312-D334 IonicContact NH2-OD2 2.7Å; R312-D334 PolarHBondContact NH2-OD2 2.81Å; C319-D334 VanDerWaalsContact CB-OD1 3.25Å; C319-D334 WeakPolarHBondContact CB-OD1 3.34Å; C319-D334 PolarHBondContact N-OD1 3.27Å; C319-D334 VanDerWaalsContact N-OD1 3.14Å; I330-D334 HydrophobicContact CG2-CB 3.94Å; T331-D334 WeakPolarHBondContact CB-OD2 3.34Å; T331-D334 PolarHBondContact N-OD2 3.14Å; T331-D334 WeakPolarHBondContact O-CB 3.27Å; T331-D334 PolarHBondContact O-N 3.28Å; T331-D334 PolarHBondContact OG1-N 3.45Å; T331-D334 VanDerWaalsContact OG1-N 3.16Å; T331-D334 PolarHBondContact OG1-OD2 3.09Å; L332-D334 VanDerWaalsContact C-N 3.34Å; L332-D334 PolarHBondContact O-N 3.15Å; D334-A337 PolarHBondContact O-N 2.91Å; D334-G338 PolarHBondContact O-N 2.97Å
335	L	93.8	Very high	92.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-45.9	175.2	169.4	63.6	0	0	0	111	I253 I278 L281 Y306 T331 L332 A333 A337 G338 L339	I253-L335 HydrophobicContact CB-CD2 4.16Å; I253-L335 HydrophobicContact CD1-CD2 3.85Å; I253-L335 HydrophobicContact CG2-CD2 3.95Å; I278-L335 HydrophobicContact CG1-CB 4.34Å; I278-L335 HydrophobicContact CG1-CD1 4.38Å; I278-L335 HydrophobicContact CG2-CD1 4.34Å; L281-L335 HydrophobicContact CB-CD1 3.93Å; L281-L335 HydrophobicContact CD1-CD1 3.78Å; L281-L335 HydrophobicContact CD1-CD2 3.71Å; L281-L335 HydrophobicContact CD1-CG 4.4Å; Y306-L335 HydrophobicContact CD1-CB 4.12Å; Y306-L335 HydrophobicContact CD1-CD2 4.15Å; Y306-L335 HydrophobicContact CD2-CD2 4.49Å; Y306-L335 HydrophobicContact CE1-CB 3.6Å; Y306-L335 HydrophobicContact CE1-CD2 3.87Å; Y306-L335 HydrophobicContact CE1-CG 4.29Å; Y306-L335 HydrophobicContact CE2-CD2 4.22Å; Y306-L335 HydrophobicContact CG-CD2 4.45Å; T331-L335 PolarHBondContact O-N 3.27Å; L332-L335 WeakPolarHBondContact O-CB 3.42Å; L332-L335 PolarHBondContact O-N 2.83Å; L332-L335 VanDerWaalsContact O-N 3.16Å; A333-L335 PolarHBondContact O-N 3.25Å; L335-A337 VanDerWaalsContact C-N 3.33Å; L335-A337 PolarHBondContact O-N 3.46Å; L335-G338 PolarHBondContact O-N 2.7Å; L335-G338 VanDerWaalsContact O-N 3.12Å; L335-L339 VanDerWaalsContact O-CB 3.3Å; L335-L339 WeakPolarHBondContact O-CB 3.44Å; L335-L339 PolarHBondContact O-N 3.35Å
336	L	94.6	Very high	93	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65	-36.2	-178.6	-66.8	169.6	0	0	0	112.4	L298 L332 A333 G338 L339 V340 L349 L351 I366 V369	L298-L336 HydrophobicContact CD1-CD2 3.78Å; L332-L336 HydrophobicContact CD1-CD1 4.22Å; L332-L336 HydrophobicContact CD1-CG 4.28Å; L332-L336 HydrophobicContact CD2-CD1 4.26Å; L332-L336 HydrophobicContact CG-CD1 3.79Å; L332-L336 HydrophobicContact CG-CG 4.29Å; L332-L336 WeakPolarHBondContact O-CG 3.17Å; L332-L336 PolarHBondContact O-N 3.35Å; A333-L336 PolarHBondContact O-N 3.24Å; L336-G338 PolarHBondContact O-N 2.85Å; L336-L339 PolarHBondContact O-N 3.08Å; L336-V340 WeakPolarHBondContact O-CB 3.33Å; L336-V340 VanDerWaalsContact O-CG2 3.31Å; L336-V340 WeakPolarHBondContact O-CG2 3.45Å; L336-V340 PolarHBondContact O-N 2.97Å; L336-L349 HydrophobicContact CD2-CD2 3.85Å; L336-L351 HydrophobicContact CD1-CD1 4.38Å; L336-L351 HydrophobicContact CD1-CD2 4.47Å; L336-L351 HydrophobicContact CD2-CD2 3.66Å; L336-I366 HydrophobicContact CD1-CD1 3.57Å; L336-V369 HydrophobicContact CB-CG2 3.96Å; L336-V369 HydrophobicContact CD1-CB 4.47Å; L336-V369 HydrophobicContact CD1-CG1 4.1Å; L336-V369 HydrophobicContact CD1-CG2 4.14Å; L336-V369 HydrophobicContact CD2-CG1 4.39Å
337	A	90.2	Very high	93.5	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-30.7	173.9	0	0	0	0	0	112.6	A333 D334 L335 P341 L597 L600	A333-A337 WeakPolarHBondContact O-CB 3.44Å; A333-A337 PolarHBondContact O-N 3.24Å; D334-A337 PolarHBondContact O-N 2.91Å; L335-A337 VanDerWaalsContact C-N 3.33Å; L335-A337 PolarHBondContact O-N 3.46Å; A337-P341 WeakPolarHBondContact O-CD 3.32Å; A337-P341 VanDerWaalsContact O-CG 3.28Å; A337-P341 WeakPolarHBondContact O-CG 3.41Å; A337-L597 HydrophobicContact CB-CB 3.99Å; A337-L597 HydrophobicContact CB-CD2 4.23Å; A337-L600 HydrophobicContact CB-CD2 3.92Å; A337-L600 HydrophobicContact CB-CG 4.06Å
338	G	90.7	Very high	94	Very high	8 Å²	8	21.2 Å²	21.2	8%	0.082	13%	0.125	C	C	.	.	H	α-helix	trans	-87	-36.8	174.9	0	0	0	0	0	113.6	L282 D334 L335 L336 L600	L282-G338 VanDerWaalsContact CD2-C 3.45Å; D334-G338 PolarHBondContact O-N 2.97Å; L335-G338 PolarHBondContact O-N 2.7Å; L335-G338 VanDerWaalsContact O-N 3.12Å; L336-G338 PolarHBondContact O-N 2.85Å; G338-L600 VanDerWaalsContact N-CD1 3.31Å
339	L	93.9	Very high	94.4	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-77.8	-43.5	-172.8	-170.3	73.9	0	0	0	112.1	L282 A285 L296 L298 L335 L336 I342 I343 L349	L282-L339 HydrophobicContact CD2-CB 4.02Å; L282-L339 HydrophobicContact CD2-CD1 3.98Å; A285-L339 HydrophobicContact CB-CD1 3.45Å; A285-L339 VanDerWaalsContact CB-CD1 3.45Å; L296-L339 HydrophobicContact CD2-CD1 3.87Å; L296-L339 HydrophobicContact CD2-CD2 3.9Å; L296-L339 HydrophobicContact CD2-CG 4.17Å; L298-L339 HydrophobicContact CD1-CD2 3.67Å; L298-L339 HydrophobicContact CD2-CD2 3.76Å; L298-L339 HydrophobicContact CG-CD2 4.08Å; L335-L339 VanDerWaalsContact O-CB 3.3Å; L335-L339 WeakPolarHBondContact O-CB 3.44Å; L335-L339 PolarHBondContact O-N 3.35Å; L336-L339 PolarHBondContact O-N 3.08Å; L339-I342 HydrophobicContact CD1-CD1 4.26Å; L339-I342 WeakPolarHBondContact O-CG1 3.36Å; L339-I342 PolarHBondContact O-N 3.4Å; L339-I343 WeakPolarHBondContact O-CG1 3.42Å; L339-L349 HydrophobicContact CD2-CD1 3.8Å; L339-L349 HydrophobicContact CD2-CD2 4.09Å
340	V	94.7	Very high	94.7	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-60.7	-44.9	-175.1	172.4	0	0	0	0	112.9	L336 I342 I343 L349 V369 H372 V375 L594	L336-V340 WeakPolarHBondContact O-CB 3.33Å; L336-V340 VanDerWaalsContact O-CG2 3.31Å; L336-V340 WeakPolarHBondContact O-CG2 3.45Å; L336-V340 PolarHBondContact O-N 2.97Å; V340-I342 VanDerWaalsContact C-N 3.26Å; V340-I342 PolarHBondContact O-N 3.39Å; V340-I343 PolarHBondContact O-N 3.11Å; V340-L349 HydrophobicContact CG2-CD2 4.03Å; V340-V369 HydrophobicContact CG2-CG1 4.13Å; V340-H372 HydrophobicContact CG1-CB 4.29Å; V340-H372 VanDerWaalsContact CG1-CE1 3.45Å; V340-H372 WeakPolarHBondContact CG1-CE1 3.38Å; V340-H372 WeakPolarHBondContact CG1-ND1 3.48Å; V340-V375 HydrophobicContact CG1-CG2 4.18Å; V340-V375 HydrophobicContact CG2-CG2 3.85Å; V340-L594 HydrophobicContact CB-CD1 4.29Å; V340-L594 HydrophobicContact CG1-CD1 4.28Å
341	P	91.8	Very high	95	Very high	74 Å²	74	15.1 Å²	15.1	48%	0.481	10%	0.095	S	C	.	.	H	α-helix	trans	-63.5	-27.1	-179.5	-26	36.8	0	0	0	114.8	A337	A337-P341 WeakPolarHBondContact O-CD 3.32Å; A337-P341 VanDerWaalsContact O-CG 3.28Å; A337-P341 WeakPolarHBondContact O-CG 3.41Å
342	I	93.8	Very high	95.1	Very high	54 Å²	54	15.9 Å²	15.9	28%	0.277	10%	0.103	S	C	.	.	H	α-helix	trans	-85.5	-8.8	-177.5	65.9	156.3	0	0	0	113.7	L282 A285 K286 L339 V340 P344	L282-I342 HydrophobicContact CD2-CD1 4.18Å; A285-I342 HydrophobicContact CB-CD1 4.03Å; K286-I342 HydrophobicContact CG-CD1 3.63Å; L339-I342 HydrophobicContact CD1-CD1 4.26Å; L339-I342 WeakPolarHBondContact O-CG1 3.36Å; L339-I342 PolarHBondContact O-N 3.4Å; V340-I342 VanDerWaalsContact C-N 3.26Å; V340-I342 PolarHBondContact O-N 3.39Å; I342-P344 WeakPolarHBondContact O-CD 3.29Å
343	I	96.7	Very high	95.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-67.7	123.6	177.8	-58.5	165.1	0	0	0	108.4	F289 L339 V340 C347 L349 R374	F289-I343 HydrophobicContact CE1-CG2 4.23Å; F289-I343 HydrophobicContact CE2-CB 4.34Å; F289-I343 HydrophobicContact CE2-CG1 4.04Å; F289-I343 HydrophobicContact CE2-CG2 4.48Å; F289-I343 HydrophobicContact CZ-CB 4.17Å; F289-I343 HydrophobicContact CZ-CG1 3.91Å; F289-I343 HydrophobicContact CZ-CG2 3.86Å; L339-I343 WeakPolarHBondContact O-CG1 3.42Å; V340-I343 PolarHBondContact O-N 3.11Å; I343-C347 HydrophobicContact CG2-CB 3.74Å; I343-L349 HydrophobicContact CD1-CB 3.56Å; I343-L349 HydrophobicContact CD1-CD2 4.22Å; I343-L349 HydrophobicContact CD1-CG 4.41Å; I343-R374 HydrophobicContact CB-CB 4.27Å; I343-R374 HydrophobicContact CD1-CB 4.35Å; I343-R374 HydrophobicContact CG2-CB 4Å; I343-R374 WeakPolarHBondContact O-CD 3.31Å; I343-R374 VanDerWaalsContact O-CZ 3.22Å; I343-R374 PolarHBondContact O-NE 3.1Å; I343-R374 PolarHBondContact O-NH1 3.37Å
344	P	96.6	Very high	95.4	Very high	54 Å²	54	18.7 Å²	18.7	35%	0.351	12%	0.116	S	C	.	.	P	Polyproline II helix	trans	-67	166.5	179.6	-21	33.2	0	0	0	113.9	F289 I342 C347	F289-P344 HydrophobicContact CB-CG 3.87Å; F289-P344 HydrophobicContact CD1-CG 4.21Å; F289-P344 HydrophobicContact CD2-CG 4.43Å; F289-P344 VanDerWaalsContact CG-CD 3.45Å; F289-P344 HydrophobicContact CG-CG 3.93Å; I342-P344 WeakPolarHBondContact O-CD 3.29Å; P344-C347 WeakPolarHBondContact O-CB 3.32Å; P344-C347 PolarHBondContact O-N 3.49Å
345	A	95.6	Very high	95.6	Very high	45 Å²	45	19 Å²	19	37%	0.372	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	146.5	164.5	0	0	0	0	0	111	C347 D577	A345-C347 PolarHBondContact O-N 2.81Å; A345-D577 HydrophobicContact CB-CB 3.93Å
346	G	96.3	Very high	95.6	Very high	12 Å²	12	19 Å²	19	12%	0.124	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	3.5	-177	0	0	0	0	0	114.8	D577	G346-D577 PolarHBondContact N-O 2.87Å
347	C	98.5	Very high	95.5	Very high	7 Å²	7	20 Å²	20	5%	0.047	13%	0.125	C	C	.	.			trans	-118.5	154.7	-178.3	-55.4	0	0	0	0	111.7	F289 K294 I343 P344 A345	F289-C347 HydrophobicContact CD1-CB 4.23Å; F289-C347 HydrophobicContact CE1-CB 3.86Å; K294-C347 CarbonylContact O-C 3.58Å; K294-C347 WeakPolarHBondContact O-CA 3.43Å; K294-C347 WeakPolarHBondContact O-CB 3.5Å; I343-C347 HydrophobicContact CG2-CB 3.74Å; P344-C347 WeakPolarHBondContact O-CB 3.32Å; P344-C347 PolarHBondContact O-N 3.49Å; A345-C347 PolarHBondContact O-N 2.81Å
348	M	98.5	Very high	95.7	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147	-175.8	-65.2	-64.7	-71.8	0	0	112.6	K294 E295 L296 P373 R374 V375 Y376 L520 I579	K294-M348 PolarHBondContact O-N 3.21Å; E295-M348 CarbonylContact C-O 3.55Å; E295-M348 VanDerWaalsContact CA-O 3.31Å; E295-M348 WeakPolarHBondContact CA-O 3.16Å; L296-M348 PolarHBondContact N-O 3.44Å; M348-P373 VanDerWaalsContact SD-O 3.37Å; M348-R374 CarbonylContact C-O 2.87Å; M348-R374 WeakPolarHBondContact CA-O 3.44Å; M348-V375 VanDerWaalsContact CE-C 3.41Å; M348-V375 WeakPolarHBondContact CE-O 3.49Å; M348-Y376 HydrophobicContact CB-CD2 3.97Å; M348-Y376 HydrophobicContact CB-CE1 4.26Å; M348-Y376 HydrophobicContact CB-CE2 3.39Å; M348-Y376 HydrophobicContact CE-CD1 3.52Å; M348-Y376 HydrophobicContact CE-CD2 4.29Å; M348-Y376 HydrophobicContact CE-CE1 3.72Å; M348-Y376 HydrophobicContact CE-CE2 4.47Å; M348-Y376 HydrophobicContact CE-CG 3.85Å; M348-Y376 HydrophobicContact CG-CE1 4.08Å; M348-Y376 HydrophobicContact CG-CE2 4.12Å; M348-L520 HydrophobicContact CB-CD2 3.99Å; M348-L520 HydrophobicContact CG-CD2 3.73Å; M348-I579 HydrophobicContact CE-CG2 3.73Å; M348-I579 HydrophobicContact SD-CB 4.41Å; M348-I579 HydrophobicContact SD-CG2 3.8Å
349	L	98.7	Very high	95.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.2	168	-179.8	67.8	0	0	0	110.4	L296 L298 L336 L339 V340 I343 L351 R374 V375 Y376	L296-L349 HydrophobicContact CB-CD1 3.96Å; L296-L349 HydrophobicContact CD2-CD1 3.9Å; L296-L349 HydrophobicContact CG-CD1 3.98Å; L296-L349 WeakPolarHBondContact O-CA 3.31Å; L296-L349 WeakPolarHBondContact O-CD1 3.24Å; L298-L349 HydrophobicContact CD1-CD1 4.09Å; L298-L349 HydrophobicContact CD1-CD2 4.5Å; L298-L349 HydrophobicContact CD2-CD1 4.26Å; L298-L349 HydrophobicContact CG-CD1 3.7Å; L336-L349 HydrophobicContact CD2-CD2 3.85Å; L339-L349 HydrophobicContact CD2-CD1 3.8Å; L339-L349 HydrophobicContact CD2-CD2 4.09Å; V340-L349 HydrophobicContact CG2-CD2 4.03Å; I343-L349 HydrophobicContact CD1-CB 3.56Å; I343-L349 HydrophobicContact CD1-CD2 4.22Å; I343-L349 HydrophobicContact CD1-CG 4.41Å; L349-L351 HydrophobicContact CD2-CD2 3.94Å; L349-L351 HydrophobicContact CG-CD2 4.16Å; L349-R374 PolarHBondContact N-O 2.72Å; L349-V375 HydrophobicContact CB-CB 4.46Å; L349-V375 HydrophobicContact CB-CG1 4.33Å; L349-V375 HydrophobicContact CB-CG2 4.15Å; L349-V375 HydrophobicContact CD2-CG1 4.39Å; L349-V375 HydrophobicContact CD2-CG2 4.16Å; L349-V375 CarbonylContact O-C 3.58Å; L349-V375 WeakPolarHBondContact O-CA 3.24Å; L349-Y376 WeakPolarHBondContact O-CD2 3.41Å; L349-Y376 PolarHBondContact O-N 2.86Å
350	R	98.6	Very high	95.9	Very high	53 Å²	53	22.7 Å²	22.7	20%	0.2	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.5	169.2	-174.3	-172.7	173.7	-163.9	-2.9	109.7	L296 W297 L298 Y376 F378 Y538	L296-R350 PolarHBondContact O-N 3.21Å; W297-R350 HydrophobicContact CG-CB 4.39Å; L298-R350 PolarHBondContact N-O 2.74Å; R350-Y376 HydrophobicContact CB-CD2 3.93Å; R350-Y376 HydrophobicContact CB-CE2 4.48Å; R350-Y376 HydrophobicContact CG-CD2 4.47Å; R350-F378 HydrophobicContact CG-CD1 4.14Å; R350-Y538 VanDerWaalsContact CD-CZ 3.45Å; R350-Y538 WeakPolarHBondContact CD-OH 3.25Å; R350-Y538 HydrophobicContact CG-CE2 4.49Å; R350-Y538 VanDerWaalsContact NE-CE1 3.3Å; R350-Y538 PolarHBondContact NH1-OH 3.44Å; R350-Y538 VanDerWaalsContact NH1-OH 3.07Å
351	L	98.5	Very high	95.7	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	132.4	169.4	-54.3	-172.4	0	0	0	109.5	L298 L303 L336 L349 V369 L370 L379	L298-L351 HydrophobicContact CD1-CD2 3.91Å; L303-L351 HydrophobicContact CD1-CB 4.31Å; L336-L351 HydrophobicContact CD1-CD1 4.38Å; L336-L351 HydrophobicContact CD1-CD2 4.47Å; L336-L351 HydrophobicContact CD2-CD2 3.66Å; L349-L351 HydrophobicContact CD2-CD2 3.94Å; L349-L351 HydrophobicContact CG-CD2 4.16Å; L351-V369 HydrophobicContact CD1-CG1 4.36Å; L351-L370 HydrophobicContact CD1-CD2 3.99Å; L351-L379 HydrophobicContact CB-CD1 3.94Å; L351-L379 HydrophobicContact CD1-CD1 4.39Å
352	G	96.3	Very high	95.8	Very high	16 Å²	16	21.3 Å²	21.3	17%	0.165	12%	0.124	C	C	.	.			trans	-77.1	-152.6	170.9	0	0	0	0	0	113.5	L298	L298-G352 VanDerWaalsContact O-CA 3.3Å; L298-G352 WeakPolarHBondContact O-CA 3.35Å; L298-G352 PolarHBondContact O-N 3.24Å
353	M	96.3	Very high	95.8	Very high	61 Å²	61	19.6 Å²	19.6	30%	0.3	12%	0.115	S	C	.	.	B	Isolated β-bridge	trans	-76.6	142.1	-175	-172.5	-162.9	-61.2	0	0	112.7	L303 H380 P382	L303-M353 WeakPolarHBondContact CB-O 3.31Å; L303-M353 WeakPolarHBondContact CG-O 3.17Å; L303-M353 PolarHBondContact N-O 2.94Å; M353-H380 CarbonylContact C-O 2.92Å; M353-H380 VanDerWaalsContact CA-O 3.31Å; M353-H380 WeakPolarHBondContact CA-O 3.38Å; M353-H380 HydrophobicContact CB-CB 4.35Å; M353-P382 HydrophobicContact CE-CG 4.19Å; M353-P382 HydrophobicContact CG-CG 3.48Å; M353-P382 VanDerWaalsContact CG-CG 3.48Å; M353-P382 HydrophobicContact SD-CG 3.47Å; M353-P382 WeakPolarHBondContact SD-CG 3.39Å
354	T	97.1	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.			trans	-137.5	148.1	168.5	-175.6	0	0	0	0	111	D302 G304 I359 L379 H380 I381 P382	D302-T354 WeakPolarHBondContact OD1-CA 3.5Å; D302-T354 PolarHBondContact OD1-OG1 3.16Å; G304-T354 VanDerWaalsContact CA-OG1 3.26Å; G304-T354 WeakPolarHBondContact CA-OG1 3.23Å; G304-T354 PolarHBondContact N-OG1 3.42Å; G304-T354 VanDerWaalsContact N-OG1 3.17Å; T354-I359 HydrophobicContact CG2-CB 3.93Å; T354-I359 HydrophobicContact CG2-CD1 3.8Å; T354-I359 HydrophobicContact CG2-CG1 3.83Å; T354-I359 HydrophobicContact CG2-CG2 4.4Å; T354-L379 HydrophobicContact CG2-CD1 3.91Å; T354-L379 HydrophobicContact CG2-CD2 3.95Å; T354-L379 HydrophobicContact CG2-CG 4.02Å; T354-H380 PolarHBondContact N-O 3Å; T354-I381 HydrophobicContact CG2-CG1 4.4Å; T354-P382 VanDerWaalsContact O-CD 3.28Å; T354-P382 WeakPolarHBondContact O-CD 3.31Å
355	N	95.8	Very high	95.4	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.043	13%	0.126	C	C	.	.			trans	-92.7	147.1	173.8	-66	-76	0	0	0	112.2	N259 D302 Y358 I359 R396	N259-N355 PolarHBondContact ND2-ND2 3.05Å; D302-N355 PolarHBondContact OD1-N 2.75Å; D302-N355 VanDerWaalsContact OD2-CB 3.31Å; D302-N355 WeakPolarHBondContact OD2-CB 3.2Å; D302-N355 PolarHBondContact OD2-ND2 2.9Å; N355-Y358 HydrophobicContact CB-CD2 4.24Å; N355-Y358 PolarHBondContact O-N 2.97Å; N355-I359 PolarHBondContact O-N 2.97Å; N355-R396 VanDerWaalsContact OD1-CZ 3.26Å; N355-R396 PolarHBondContact OD1-NH1 3.48Å; N355-R396 PolarHBondContact OD1-NH2 2.87Å
356	P	94.9	Very high	95.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-48	-45.6	-178.5	-28.8	35.2	0	0	0	116	Y358 I359 L360 I381 Y398 F403	P356-Y358 PolarHBondContact O-N 3.4Å; P356-Y358 VanDerWaalsContact O-N 3.11Å; P356-I359 PolarHBondContact O-N 3.09Å; P356-L360 WeakPolarHBondContact O-CB 3.45Å; P356-L360 WeakPolarHBondContact O-CD1 3.38Å; P356-L360 WeakPolarHBondContact O-CG 3.39Å; P356-L360 PolarHBondContact O-N 2.98Å; P356-I381 HydrophobicContact CG-CG2 3.98Å; P356-Y398 HydrophobicContact CB-CD1 3.94Å; P356-Y398 HydrophobicContact CB-CD2 4.1Å; P356-Y398 HydrophobicContact CB-CE1 4.35Å; P356-Y398 HydrophobicContact CB-CG 3.78Å; P356-Y398 HydrophobicContact CG-CD1 3.97Å; P356-Y398 HydrophobicContact CG-CD2 4.01Å; P356-Y398 HydrophobicContact CG-CE1 3.86Å; P356-Y398 HydrophobicContact CG-CE2 3.98Å; P356-Y398 HydrophobicContact CG-CG 4.02Å; P356-F403 HydrophobicContact CG-CD2 3.9Å
357	P	92.1	Very high	95.3	Very high	23 Å²	23	19.2 Å²	19.2	15%	0.149	10%	0.104	C	C	.	.	H	α-helix	trans	-58.8	-34	-174.3	-23.4	33.5	0	0	0	113.1	E397 Y398	P357-E397 HydrophobicContact CG-CB 4.24Å; P357-E397 WeakPolarHBondContact CG-O 3.33Å; P357-Y398 HydrophobicContact CG-CD1 3.68Å; P357-Y398 HydrophobicContact CG-CG 4.35Å
358	Y	94.9	Very high	95.1	Very high	16 Å²	16	20.8 Å²	20.8	6%	0.063	11%	0.11	C	C	.	.	H	α-helix	trans	-93.2	-29.4	-175.4	-48.7	-67.9	0	0	0	113.1	L258 N259 D302 G304 A305 N355 P356	L258-Y358 VanDerWaalsContact CB-OH 3.3Å; L258-Y358 WeakPolarHBondContact CB-OH 3.28Å; L258-Y358 HydrophobicContact CD1-CE1 4.21Å; N259-Y358 PolarHBondContact OD1-OH 3.17Å; D302-Y358 WeakPolarHBondContact OD2-CD2 3.36Å; D302-Y358 WeakPolarHBondContact OD2-CE2 3.42Å; G304-Y358 WeakPolarHBondContact O-CB 3.08Å; A305-Y358 HydrophobicContact CB-CD1 4.31Å; A305-Y358 HydrophobicContact CB-CD2 3.97Å; A305-Y358 HydrophobicContact CB-CE1 4.47Å; A305-Y358 HydrophobicContact CB-CE2 4.12Å; A305-Y358 HydrophobicContact CB-CG 4.05Å; N355-Y358 HydrophobicContact CB-CD2 4.24Å; N355-Y358 PolarHBondContact O-N 2.97Å; P356-Y358 PolarHBondContact O-N 3.4Å; P356-Y358 VanDerWaalsContact O-N 3.11Å
359	I	94.3	Very high	94.9	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-76.4	-31	177.6	-153.5	67.5	0	0	0	112	L332 T354 N355 P356 D361 Q362 L363 I366 L379 V406	L332-I359 HydrophobicContact CD2-CD1 4.46Å; T354-I359 HydrophobicContact CG2-CB 3.93Å; T354-I359 HydrophobicContact CG2-CD1 3.8Å; T354-I359 HydrophobicContact CG2-CG1 3.83Å; T354-I359 HydrophobicContact CG2-CG2 4.4Å; N355-I359 PolarHBondContact O-N 2.97Å; P356-I359 PolarHBondContact O-N 3.09Å; I359-D361 PolarHBondContact O-N 3Å; I359-Q362 CarbonylContact O-C 3.54Å; I359-Q362 PolarHBondContact O-N 2.92Å; I359-Q362 VanDerWaalsContact O-N 3.09Å; I359-L363 WeakPolarHBondContact O-CA 3.43Å; I359-L363 PolarHBondContact O-N 2.96Å; I359-L363 VanDerWaalsContact O-N 3.08Å; I359-I366 HydrophobicContact CD1-CB 4.22Å; I359-I366 HydrophobicContact CD1-CD1 3.93Å; I359-I366 HydrophobicContact CD1-CG1 3.58Å; I359-I366 HydrophobicContact CD1-CG2 4.02Å; I359-I366 HydrophobicContact CG1-CG1 4.37Å; I359-I366 HydrophobicContact CG1-CG2 4.35Å; I359-L379 HydrophobicContact CG1-CD2 4.35Å; I359-V406 HydrophobicContact CG2-CG1 3.76Å; I359-V406 HydrophobicContact CG2-CG2 3.9Å
360	L	94	Very high	94.8	Very high	48 Å²	48	20.7 Å²	20.7	25%	0.251	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-53.3	-39.1	173.3	-81.8	163.2	0	0	0	112.1	P356 Q362 E402 V406	P356-L360 WeakPolarHBondContact O-CB 3.45Å; P356-L360 WeakPolarHBondContact O-CD1 3.38Å; P356-L360 WeakPolarHBondContact O-CG 3.39Å; P356-L360 PolarHBondContact O-N 2.98Å; L360-Q362 PolarHBondContact O-N 2.83Å; L360-E402 HydrophobicContact CD1-CB 3.82Å; L360-E402 HydrophobicContact CD1-CG 4.25Å; L360-V406 HydrophobicContact CD1-CG2 4.18Å; L360-V406 HydrophobicContact CD2-CG2 3.33Å; L360-V406 HydrophobicContact CG-CG2 3.4Å
361	D	91.4	Very high	94.6	Very high	45 Å²	45	20.4 Å²	20.4	24%	0.241	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-67.5	-15.6	-178	-78.4	-25.2	0	0	0	114.5	R308 K325 W326 I359	R308-D361 IonicContact CZ-OD2 2.66Å; R308-D361 IonicContact NH1-OD2 3.84Å; R308-D361 IonicContact NH2-OD2 3.84Å; R308-D361 PolarHBondContact NH2-OD2 2.88Å; K325-D361 PolarHBondContact NZ-O 3.31Å; W326-D361 HydrophobicContact CZ2-CB 3.7Å; W326-D361 WeakPolarHBondContact CZ2-OD2 3.36Å; I359-D361 PolarHBondContact O-N 3Å
362	Q	92.8	Very high	94.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-138.1	25.3	-173.1	-62.5	166.1	50.2	0	0	111.9	L322 A333 I359 L360 V364 E365 I366	L322-Q362 HydrophobicContact CD2-CG 4.46Å; A333-Q362 HydrophobicContact CB-CB 4.46Å; I359-Q362 CarbonylContact O-C 3.54Å; I359-Q362 PolarHBondContact O-N 2.92Å; I359-Q362 VanDerWaalsContact O-N 3.09Å; L360-Q362 PolarHBondContact O-N 2.83Å; Q362-V364 VanDerWaalsContact C-N 3.33Å; Q362-V364 PolarHBondContact O-N 2.82Å; Q362-E365 VanDerWaalsContact CA-OE2 3.32Å; Q362-E365 WeakPolarHBondContact CA-OE2 3.38Å; Q362-E365 PolarHBondContact O-N 2.81Å; Q362-I366 HydrophobicContact CB-CG1 4.31Å; Q362-I366 WeakPolarHBondContact O-CB 3.43Å; Q362-I366 WeakPolarHBondContact O-CG1 3.41Å; Q362-I366 PolarHBondContact O-N 2.87Å
363	L	93.1	Very high	94.3	Very high	17 Å²	17	21 Å²	21	9%	0.089	12%	0.115	C	C	.	.	H	α-helix	trans	-65.5	-34.6	-166.1	-167.7	61.7	0	0	0	113.5	I359 A367 V406 Y409 L410	I359-L363 WeakPolarHBondContact O-CA 3.43Å; I359-L363 PolarHBondContact O-N 2.96Å; I359-L363 VanDerWaalsContact O-N 3.08Å; L363-A367 WeakPolarHBondContact O-CB 3.25Å; L363-A367 PolarHBondContact O-N 3.07Å; L363-V406 HydrophobicContact CD1-CB 4.47Å; L363-V406 HydrophobicContact CD1-CG1 3.92Å; L363-Y409 HydrophobicContact CB-CD1 4.49Å; L363-Y409 HydrophobicContact CD1-CD1 4.35Å; L363-Y409 HydrophobicContact CD2-CD1 3.66Å; L363-Y409 HydrophobicContact CD2-CD2 4.27Å; L363-Y409 HydrophobicContact CD2-CE1 4.45Å; L363-Y409 HydrophobicContact CD2-CG 3.56Å; L363-Y409 HydrophobicContact CG-CD1 3.47Å; L363-Y409 VanDerWaalsContact CG-CD1 3.47Å; L363-Y409 HydrophobicContact CG-CE1 4Å; L363-Y409 HydrophobicContact CG-CG 3.95Å; L363-L410 HydrophobicContact CD1-CD1 4.36Å; L363-L410 HydrophobicContact CD1-CD2 3.93Å; L363-L410 HydrophobicContact CD1-CG 3.92Å
364	V	92.9	Very high	94.3	Very high	72 Å²	72	22.1 Å²	22.1	44%	0.436	12%	0.116	S	C	.	.	H	α-helix	trans	-64.5	-50.5	178.6	-177.1	0	0	0	0	109.8	Q362 I366 A367 E368 Y409	Q362-V364 VanDerWaalsContact C-N 3.33Å; Q362-V364 PolarHBondContact O-N 2.82Å; V364-I366 VanDerWaalsContact C-N 3.32Å; V364-I366 PolarHBondContact O-N 3.05Å; V364-A367 PolarHBondContact O-N 3.33Å; V364-E368 PolarHBondContact O-N 2.64Å; V364-E368 VanDerWaalsContact O-N 3.07Å; V364-Y409 WeakPolarHBondContact CG2-OH 3.31Å
365	E	92.6	Very high	94.3	Very high	27 Å²	27	22.1 Å²	22.1	13%	0.126	12%	0.116	C	C	.	.	H	α-helix	trans	-64.2	-40.2	-177.8	-64.3	86.4	175.4	0	0	111	L322 A333 Q362 E368 V369 S596 L597	L322-E365 HydrophobicContact CD1-CG 4.03Å; L322-E365 HydrophobicContact CD2-CG 4.24Å; L322-E365 WeakPolarHBondContact CD2-OE1 3.39Å; L322-E365 HydrophobicContact CG-CG 4.23Å; A333-E365 HydrophobicContact CB-CB 3.85Å; A333-E365 HydrophobicContact CB-CG 4.41Å; Q362-E365 VanDerWaalsContact CA-OE2 3.32Å; Q362-E365 WeakPolarHBondContact CA-OE2 3.38Å; Q362-E365 PolarHBondContact O-N 2.81Å; E365-E368 PolarHBondContact O-N 3.46Å; E365-V369 WeakPolarHBondContact O-CG2 3.42Å; E365-V369 PolarHBondContact O-N 2.94Å; E365-S596 WeakPolarHBondContact CA-OG 3.29Å; E365-L597 HydrophobicContact CB-CD1 4.1Å; E365-L597 HydrophobicContact CB-CD2 3.91Å; E365-L597 HydrophobicContact CB-CG 4.01Å; E365-L597 HydrophobicContact CG-CD2 3.86Å; E365-L597 HydrophobicContact CG-CG 4.16Å
366	I	95.1	Very high	94.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.7	-41.4	178	-64.1	-72.8	0	0	0	111.3	L332 L336 I359 Q362 V364 E368 V369 L370 L379	L332-I366 HydrophobicContact CD2-CD1 3.77Å; L332-I366 HydrophobicContact CG-CD1 4.26Å; L336-I366 HydrophobicContact CD1-CD1 3.57Å; I359-I366 HydrophobicContact CD1-CB 4.22Å; I359-I366 HydrophobicContact CD1-CD1 3.93Å; I359-I366 HydrophobicContact CD1-CG1 3.58Å; I359-I366 HydrophobicContact CD1-CG2 4.02Å; I359-I366 HydrophobicContact CG1-CG1 4.37Å; I359-I366 HydrophobicContact CG1-CG2 4.35Å; Q362-I366 HydrophobicContact CB-CG1 4.31Å; Q362-I366 WeakPolarHBondContact O-CB 3.43Å; Q362-I366 WeakPolarHBondContact O-CG1 3.41Å; Q362-I366 PolarHBondContact O-N 2.87Å; V364-I366 VanDerWaalsContact C-N 3.32Å; V364-I366 PolarHBondContact O-N 3.05Å; I366-E368 PolarHBondContact O-N 2.8Å; I366-V369 PolarHBondContact O-N 2.98Å; I366-L370 HydrophobicContact CG2-CD1 4.03Å; I366-L370 HydrophobicContact CG2-CG 4.33Å; I366-L370 WeakPolarHBondContact O-CB 3.29Å; I366-L370 VanDerWaalsContact O-CG 3.27Å; I366-L370 WeakPolarHBondContact O-CG 3.3Å; I366-L370 PolarHBondContact O-N 2.95Å; I366-L379 HydrophobicContact CG2-CD2 4.13Å
367	A	95.8	Very high	94.6	Very high	5 Å²	5	21.8 Å²	21.8	4%	0.041	11%	0.114	C	C	.	.	H	α-helix	trans	-59.8	-37.8	174.5	0	0	0	0	0	111.7	L363 V364 S371 Y409 L410 N413 V414	L363-A367 WeakPolarHBondContact O-CB 3.25Å; L363-A367 PolarHBondContact O-N 3.07Å; V364-A367 PolarHBondContact O-N 3.33Å; A367-S371 PolarHBondContact O-N 3.35Å; A367-S371 VanDerWaalsContact O-N 3.14Å; A367-S371 PolarHBondContact O-OG 2.92Å; A367-Y409 HydrophobicContact CB-CD1 4.44Å; A367-Y409 HydrophobicContact CB-CE1 3.89Å; A367-L410 HydrophobicContact CB-CD2 4.07Å; A367-N413 HydrophobicContact CB-CB 4.18Å; A367-V414 HydrophobicContact CB-CG2 4.16Å
368	E	93	Very high	94.9	Very high	39 Å²	39	21.1 Å²	21.1	18%	0.182	11%	0.109	C	C	.	.	H	α-helix	trans	-68.5	-44.4	175.8	-168.8	171.2	-145.1	0	0	112.4	V364 E365 I366 L370 S371 H372 L594 L595 S596	V364-E368 PolarHBondContact O-N 2.64Å; V364-E368 VanDerWaalsContact O-N 3.07Å; E365-E368 PolarHBondContact O-N 3.46Å; I366-E368 PolarHBondContact O-N 2.8Å; E368-L370 VanDerWaalsContact C-N 3.33Å; E368-L370 PolarHBondContact O-N 2.98Å; E368-S371 WeakPolarHBondContact O-CA 3.46Å; E368-S371 WeakPolarHBondContact O-CB 3.31Å; E368-S371 PolarHBondContact O-N 2.98Å; E368-H372 PolarHBondContact O-N 3.42Å; E368-L594 HydrophobicContact CG-CB 4.31Å; E368-L594 HydrophobicContact CG-CD2 3.8Å; E368-L594 VanDerWaalsContact OE1-C 3.31Å; E368-L594 WeakPolarHBondContact OE1-CA 3.31Å; E368-L594 VanDerWaalsContact OE2-C 3.3Å; E368-L594 WeakPolarHBondContact OE2-CA 3.33Å; E368-L595 WeakPolarHBondContact OE1-CB 3.3Å; E368-L595 PolarHBondContact OE1-N 2.8Å; E368-L595 PolarHBondContact OE2-N 3.47Å; E368-S596 WeakPolarHBondContact OE2-CA 3.31Å; E368-S596 VanDerWaalsContact OE2-CB 3.26Å; E368-S596 WeakPolarHBondContact OE2-CB 3.48Å; E368-S596 PolarHBondContact OE2-N 2.82Å; E368-S596 PolarHBondContact OE2-OG 2.9Å
369	V	94.8	Very high	95	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58	-45.8	174.2	169.5	0	0	0	0	111.1	L336 V340 L351 E365 I366 S371 H372 V375 L594 L597	L336-V369 HydrophobicContact CB-CG2 3.96Å; L336-V369 HydrophobicContact CD1-CB 4.47Å; L336-V369 HydrophobicContact CD1-CG1 4.1Å; L336-V369 HydrophobicContact CD1-CG2 4.14Å; L336-V369 HydrophobicContact CD2-CG1 4.39Å; V340-V369 HydrophobicContact CG2-CG1 4.13Å; L351-V369 HydrophobicContact CD1-CG1 4.36Å; E365-V369 WeakPolarHBondContact O-CG2 3.42Å; E365-V369 PolarHBondContact O-N 2.94Å; I366-V369 PolarHBondContact O-N 2.98Å; V369-S371 PolarHBondContact O-N 3.17Å; V369-H372 VanDerWaalsContact O-CB 3.25Å; V369-H372 WeakPolarHBondContact O-CB 3.17Å; V369-H372 PolarHBondContact O-N 3.33Å; V369-V375 HydrophobicContact CG1-CG1 4.01Å; V369-V375 HydrophobicContact CG1-CG2 4.12Å; V369-V375 WeakPolarHBondContact O-CB 3.36Å; V369-V375 WeakPolarHBondContact O-CG2 3.41Å; V369-L594 HydrophobicContact CG2-CD1 4.46Å; V369-L594 HydrophobicContact CG2-CD2 4.45Å; V369-L597 HydrophobicContact CG2-CD1 3.26Å
370	L	96.8	Very high	95.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.2	-22.1	177.5	-69.6	174.1	0	0	0	112.8	L351 I366 E368 Y376 F378 L379 L410 V414 L434 K536	L351-L370 HydrophobicContact CD1-CD2 3.99Å; I366-L370 HydrophobicContact CG2-CD1 4.03Å; I366-L370 HydrophobicContact CG2-CG 4.33Å; I366-L370 WeakPolarHBondContact O-CB 3.29Å; I366-L370 VanDerWaalsContact O-CG 3.27Å; I366-L370 WeakPolarHBondContact O-CG 3.3Å; I366-L370 PolarHBondContact O-N 2.95Å; E368-L370 VanDerWaalsContact C-N 3.33Å; E368-L370 PolarHBondContact O-N 2.98Å; L370-Y376 VanDerWaalsContact CD2-O 3.32Å; L370-Y376 WeakPolarHBondContact CD2-O 3.41Å; L370-F378 WeakPolarHBondContact CD2-O 3.26Å; L370-L379 HydrophobicContact CD1-CB 4.32Å; L370-L379 HydrophobicContact CD1-CD2 4.35Å; L370-L410 HydrophobicContact CD1-CD2 4.09Å; L370-V414 HydrophobicContact CB-CG1 4.3Å; L370-V414 HydrophobicContact CB-CG2 3.95Å; L370-V414 HydrophobicContact CD1-CG2 4.22Å; L370-L434 HydrophobicContact CD1-CD1 4.27Å; L370-K536 PolarHBondContact O-NZ 2.78Å
371	S	94.6	Very high	95.4	Very high	48 Å²	48	19.4 Å²	19.4	34%	0.336	10%	0.1	S	C	.	.	H	α-helix	trans	-83.7	-14.1	175.7	-58.8	0	0	0	0	113	A367 E368 V369	A367-S371 PolarHBondContact O-N 3.35Å; A367-S371 VanDerWaalsContact O-N 3.14Å; A367-S371 PolarHBondContact O-OG 2.92Å; E368-S371 WeakPolarHBondContact O-CA 3.46Å; E368-S371 WeakPolarHBondContact O-CB 3.31Å; E368-S371 PolarHBondContact O-N 2.98Å; V369-S371 PolarHBondContact O-N 3.17Å
372	H	94.1	Very high	95.7	Very high	20 Å²	20	17.2 Å²	17.2	9%	0.093	9%	0.089	C	C	.	.	S	Bend	trans	-66.2	141.2	-179.9	-170.2	-90.2	0	0	0	112.1	V340 E368 V369 R374 V375 K536 L594	V340-H372 HydrophobicContact CG1-CB 4.29Å; V340-H372 VanDerWaalsContact CG1-CE1 3.45Å; V340-H372 WeakPolarHBondContact CG1-CE1 3.38Å; V340-H372 WeakPolarHBondContact CG1-ND1 3.48Å; E368-H372 PolarHBondContact O-N 3.42Å; V369-H372 VanDerWaalsContact O-CB 3.25Å; V369-H372 WeakPolarHBondContact O-CB 3.17Å; V369-H372 PolarHBondContact O-N 3.33Å; H372-R374 VanDerWaalsContact C-N 3.27Å; H372-R374 PolarHBondContact ND1-N 2.68Å; H372-R374 VanDerWaalsContact ND1-N 3.17Å; H372-R374 PolarHBondContact O-N 3.12Å; H372-V375 HydrophobicContact CB-CB 4.42Å; H372-V375 HydrophobicContact CB-CG2 3.94Å; H372-V375 PolarHBondContact O-N 3.45Å; H372-K536 PolarHBondContact O-NZ 3.38Å; H372-L594 HydrophobicContact CB-CD2 4.21Å
373	P	93.7	Very high	96	Very high	9 Å²	9	17.2 Å²	17.2	6%	0.058	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.2	-175.9	-24.3	32.5	0	0	0	115.5	M348 V580 F592	M348-P373 VanDerWaalsContact SD-O 3.37Å; P373-V580 HydrophobicContact CB-CB 4.35Å; P373-V580 HydrophobicContact CB-CG2 4.17Å; P373-F592 HydrophobicContact CG-CD1 3.55Å; P373-F592 HydrophobicContact CG-CD2 3.68Å; P373-F592 HydrophobicContact CG-CE1 3.33Å; P373-F592 HydrophobicContact CG-CE2 3.48Å; P373-F592 VanDerWaalsContact CG-CE2 3.48Å; P373-F592 HydrophobicContact CG-CG 3.72Å; P373-F592 HydrophobicContact CG-CZ 3.29Å
374	R	95.9	Very high	96.2	Very high	86 Å²	86	17.3 Å²	17.3	33%	0.325	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	13.1	179.5	-56.9	-174.4	-174.9	152.2	3.1	113.9	I343 M348 L349 H372	I343-R374 HydrophobicContact CB-CB 4.27Å; I343-R374 HydrophobicContact CD1-CB 4.35Å; I343-R374 HydrophobicContact CG2-CB 4Å; I343-R374 WeakPolarHBondContact O-CD 3.31Å; I343-R374 VanDerWaalsContact O-CZ 3.22Å; I343-R374 PolarHBondContact O-NE 3.1Å; I343-R374 PolarHBondContact O-NH1 3.37Å; M348-R374 CarbonylContact C-O 2.87Å; M348-R374 WeakPolarHBondContact CA-O 3.44Å; L349-R374 PolarHBondContact N-O 2.72Å; H372-R374 VanDerWaalsContact C-N 3.27Å; H372-R374 PolarHBondContact ND1-N 2.68Å; H372-R374 VanDerWaalsContact ND1-N 3.17Å; H372-R374 PolarHBondContact O-N 3.12Å
375	V	98.1	Very high	96.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-126.7	140.6	179.4	-174.5	0	0	0	0	107.4	V340 M348 L349 V369 H372 K536	V340-V375 HydrophobicContact CG1-CG2 4.18Å; V340-V375 HydrophobicContact CG2-CG2 3.85Å; M348-V375 VanDerWaalsContact CE-C 3.41Å; M348-V375 WeakPolarHBondContact CE-O 3.49Å; L349-V375 HydrophobicContact CB-CB 4.46Å; L349-V375 HydrophobicContact CB-CG1 4.33Å; L349-V375 HydrophobicContact CB-CG2 4.15Å; L349-V375 HydrophobicContact CD2-CG1 4.39Å; L349-V375 HydrophobicContact CD2-CG2 4.16Å; L349-V375 CarbonylContact O-C 3.58Å; L349-V375 WeakPolarHBondContact O-CA 3.24Å; V369-V375 HydrophobicContact CG1-CG1 4.01Å; V369-V375 HydrophobicContact CG1-CG2 4.12Å; V369-V375 WeakPolarHBondContact O-CB 3.36Å; V369-V375 WeakPolarHBondContact O-CG2 3.41Å; H372-V375 HydrophobicContact CB-CB 4.42Å; H372-V375 HydrophobicContact CB-CG2 3.94Å; H372-V375 PolarHBondContact O-N 3.45Å; V375-K536 PolarHBondContact O-NZ 2.93Å
376	Y	98.5	Very high	96.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.			trans	-72.3	140	171.7	-68.3	-70.6	0	0	0	110.3	E295 M348 L349 R350 L370 F378 H534 T535 K536 Y538 I579	E295-Y376 VanDerWaalsContact CD-CE2 3.43Å; E295-Y376 HydrophobicContact CG-CE2 3.87Å; E295-Y376 VanDerWaalsContact OE1-CE2 3.31Å; E295-Y376 WeakPolarHBondContact OE1-CE2 3.47Å; E295-Y376 PolarHBondContact OE2-OH 3.09Å; M348-Y376 HydrophobicContact CB-CD2 3.97Å; M348-Y376 HydrophobicContact CB-CE1 4.26Å; M348-Y376 HydrophobicContact CB-CE2 3.39Å; M348-Y376 HydrophobicContact CE-CD1 3.52Å; M348-Y376 HydrophobicContact CE-CD2 4.29Å; M348-Y376 HydrophobicContact CE-CE1 3.72Å; M348-Y376 HydrophobicContact CE-CE2 4.47Å; M348-Y376 HydrophobicContact CE-CG 3.85Å; M348-Y376 HydrophobicContact CG-CE1 4.08Å; M348-Y376 HydrophobicContact CG-CE2 4.12Å; L349-Y376 WeakPolarHBondContact O-CD2 3.41Å; L349-Y376 PolarHBondContact O-N 2.86Å; R350-Y376 HydrophobicContact CB-CD2 3.93Å; R350-Y376 HydrophobicContact CB-CE2 4.48Å; R350-Y376 HydrophobicContact CG-CD2 4.47Å; L370-Y376 VanDerWaalsContact CD2-O 3.32Å; L370-Y376 WeakPolarHBondContact CD2-O 3.41Å; Y376-F378 PolarHBondContact O-N 2.7Å; Y376-H534 HydrophobicContact CE1-CB 3.95Å; Y376-T535 VanDerWaalsContact CD1-O 3.26Å; Y376-T535 WeakPolarHBondContact CD1-O 3.42Å; Y376-T535 WeakPolarHBondContact CE1-O 3.39Å; Y376-K536 CarbonylContact C-O 3.59Å; Y376-K536 WeakPolarHBondContact CA-O 3.44Å; Y376-Y538 AromaticContact CD1-CD2 3.72Å; Y376-Y538 HydrophobicContact CD1-CD2 3.72Å; Y376-Y538 AromaticContact CD2-CD2 3.63Å; Y376-Y538 HydrophobicContact CD2-CD2 3.63Å; Y376-Y538 AromaticContact CD2-CE2 3.94Å; Y376-Y538 HydrophobicContact CD2-CE2 3.94Å; Y376-Y538 AromaticContact CE1-CD2 3.83Å; Y376-Y538 HydrophobicContact CE1-CD2 3.83Å; Y376-Y538 HydrophobicContact CE1-CE2 4.43Å; Y376-Y538 AromaticContact CE2-CD2 3.71Å; Y376-Y538 HydrophobicContact CE2-CD2 3.71Å; Y376-Y538 AromaticContact CE2-CE2 3.7Å; Y376-Y538 HydrophobicContact CE2-CE2 3.7Å; Y376-Y538 AromaticContact CG-CD2 3.6Å; Y376-Y538 HydrophobicContact CG-CD2 3.6Å; Y376-Y538 HydrophobicContact CG-CE2 4.37Å; Y376-Y538 HydrophobicContact CG-CG 4.35Å; Y376-Y538 AromaticContact CZ-CD2 3.8Å; Y376-Y538 AromaticContact CZ-CE2 3.94Å; Y376-I579 HydrophobicContact CE1-CD1 4.17Å
377	S	98.1	Very high	96.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-78.4	65.9	167.1	48.6	0	0	0	0	109.5	T433 L434 T435 K536 A537	S377-T433 WeakPolarHBondContact CB-O 3.31Å; S377-T433 PolarHBondContact OG-O 3.33Å; S377-L434 WeakPolarHBondContact O-CA 3.46Å; S377-L434 WeakPolarHBondContact O-CD1 3.33Å; S377-T435 PolarHBondContact O-N 2.76Å; S377-K536 PolarHBondContact N-O 3.22Å; S377-K536 PolarHBondContact OG-O 3.14Å; S377-A537 WeakPolarHBondContact OG-CA 3.45Å
378	F	98.3	Very high	97	Very high	10 Å²	10	16.4 Å²	16.4	4%	0.044	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.5	179.3	169.3	-86.5	0	0	0	109.5	R350 L370 Y376 H380 T435 A437 Y538	R350-F378 HydrophobicContact CG-CD1 4.14Å; L370-F378 WeakPolarHBondContact CD2-O 3.26Å; Y376-F378 PolarHBondContact O-N 2.7Å; F378-H380 HydrophobicContact CE1-CB 4.27Å; F378-H380 HydrophobicContact CZ-CB 4.23Å; F378-T435 VanDerWaalsContact CA-O 3.32Å; F378-T435 WeakPolarHBondContact CA-O 3.43Å; F378-T435 HydrophobicContact CD2-CG2 3.65Å; F378-T435 HydrophobicContact CE2-CG2 4.01Å; F378-A437 HydrophobicContact CE2-CB 3.84Å; F378-A437 HydrophobicContact CZ-CB 3.85Å; F378-Y538 HydrophobicContact CB-CG 4.23Å; F378-Y538 HydrophobicContact CD1-CD1 4.5Å; F378-Y538 AromaticContact CD2-CD1 3.92Å; F378-Y538 HydrophobicContact CD2-CD1 3.92Å; F378-Y538 HydrophobicContact CD2-CG 4.36Å; F378-Y538 HydrophobicContact CE2-CD1 4.27Å; F378-Y538 HydrophobicContact CG-CD1 4.07Å; F378-Y538 HydrophobicContact CG-CG 4.24Å
379	L	98.1	Very high	97.3	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.016	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	138.5	171.8	-168	60.4	0	0	0	110.9	L351 T354 I359 I366 L370 I381 L410 T435 I436 A437	L351-L379 HydrophobicContact CB-CD1 3.94Å; L351-L379 HydrophobicContact CD1-CD1 4.39Å; T354-L379 HydrophobicContact CG2-CD1 3.91Å; T354-L379 HydrophobicContact CG2-CD2 3.95Å; T354-L379 HydrophobicContact CG2-CG 4.02Å; I359-L379 HydrophobicContact CG1-CD2 4.35Å; I366-L379 HydrophobicContact CG2-CD2 4.13Å; L370-L379 HydrophobicContact CD1-CB 4.32Å; L370-L379 HydrophobicContact CD1-CD2 4.35Å; L379-I381 HydrophobicContact CB-CG1 4.41Å; L379-I381 HydrophobicContact CD2-CD1 3.87Å; L379-I381 HydrophobicContact CD2-CG1 3.99Å; L379-I381 HydrophobicContact CG-CD1 4.2Å; L379-I381 HydrophobicContact CG-CG1 3.85Å; L379-L410 HydrophobicContact CD2-CD1 3.99Å; L379-T435 PolarHBondContact N-O 2.82Å; L379-I436 WeakPolarHBondContact O-CA 3.27Å; L379-A437 PolarHBondContact O-N 3.25Å
380	H	98.3	Very high	97.5	Very high	25 Å²	25	17.6 Å²	17.6	12%	0.116	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	112.1	177.4	-177.7	-173.3	0	0	0	110.2	M353 T354 F378 A437 D439 H468	M353-H380 CarbonylContact C-O 2.92Å; M353-H380 VanDerWaalsContact CA-O 3.31Å; M353-H380 WeakPolarHBondContact CA-O 3.38Å; M353-H380 HydrophobicContact CB-CB 4.35Å; T354-H380 PolarHBondContact N-O 3Å; F378-H380 HydrophobicContact CE1-CB 4.27Å; F378-H380 HydrophobicContact CZ-CB 4.23Å; H380-A437 CarbonylContact C-O 3.59Å; H380-A437 WeakPolarHBondContact CA-O 3.48Å; H380-A437 HydrophobicContact CB-CB 4.04Å; H380-A437 PolarHBondContact CD2-O 2.82Å; H380-D439 IonicContact CD2-OD2 3.76Å; H380-D439 IonicContact CE1-OD2 3.02Å; H380-D439 PolarHBondContact CE1-OD2 3.31Å; H380-D439 VanDerWaalsContact CE1-OD2 3.31Å; H380-D439 IonicContact NE2-OD2 3.88Å; H380-D439 PolarHBondContact NE2-OD2 3.26Å; H380-H468 AromaticContact CE1-ND1 3.89Å; H380-H468 AromaticContact NE2-ND1 3.87Å
381	I	98.1	Very high	97.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.1	C	C	.	.			trans	-125.3	92.9	-174.2	-43.9	175.8	0	0	0	109.2	T354 P356 L379 V383 F403 V406 L410 I436 A437 T438	T354-I381 HydrophobicContact CG2-CG1 4.4Å; P356-I381 HydrophobicContact CG-CG2 3.98Å; L379-I381 HydrophobicContact CB-CG1 4.41Å; L379-I381 HydrophobicContact CD2-CD1 3.87Å; L379-I381 HydrophobicContact CD2-CG1 3.99Å; L379-I381 HydrophobicContact CG-CD1 4.2Å; L379-I381 HydrophobicContact CG-CG1 3.85Å; I381-V383 PolarHBondContact O-N 3.32Å; I381-F403 HydrophobicContact CB-CE2 4.42Å; I381-F403 HydrophobicContact CG2-CD2 4.26Å; I381-F403 HydrophobicContact CG2-CE2 3.9Å; I381-V406 HydrophobicContact CD1-CG1 3.71Å; I381-L410 HydrophobicContact CD1-CD1 3.66Å; I381-I436 HydrophobicContact CB-CG2 4.47Å; I381-I436 HydrophobicContact CD1-CG2 4.2Å; I381-I436 HydrophobicContact CG1-CG2 4.35Å; I381-A437 PolarHBondContact N-O 2.83Å; I381-T438 VanDerWaalsContact O-CB 3.29Å; I381-T438 WeakPolarHBondContact O-CB 3.39Å; I381-T438 PolarHBondContact O-OG1 2.89Å
382	P	97.2	Very high	97.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.			trans	-70.7	117.8	-176.2	-15.1	28.4	0	0	0	112.1	M353 T354 Q384 R396 Y398 D439	M353-P382 HydrophobicContact CE-CG 4.19Å; M353-P382 HydrophobicContact CG-CG 3.48Å; M353-P382 VanDerWaalsContact CG-CG 3.48Å; M353-P382 HydrophobicContact SD-CG 3.47Å; M353-P382 WeakPolarHBondContact SD-CG 3.39Å; T354-P382 VanDerWaalsContact O-CD 3.28Å; T354-P382 WeakPolarHBondContact O-CD 3.31Å; P382-Q384 HydrophobicContact CB-CG 4.46Å; P382-Q384 VanDerWaalsContact CB-NE2 3.25Å; P382-R396 PolarHBondContact O-NH2 2.97Å; P382-Y398 PolarHBondContact O-OH 2.78Å; P382-D439 HydrophobicContact CB-CB 4.21Å; P382-D439 WeakPolarHBondContact CB-OD2 3.48Å
383	V	98.1	Very high	97.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.			trans	-84.1	-33.5	176.2	73.1	0	0	0	0	112.4	I381 S385 L391 Y398 M400 F403 T438 D439 V440 L458	I381-V383 PolarHBondContact O-N 3.32Å; V383-S385 WeakPolarHBondContact CG2-O 3.47Å; V383-S385 PolarHBondContact O-N 3.41Å; V383-L391 VanDerWaalsContact O-CD2 3.23Å; V383-L391 WeakPolarHBondContact O-CD2 3.46Å; V383-Y398 PolarHBondContact O-OH 2.94Å; V383-M400 HydrophobicContact CG2-CE 4.15Å; V383-M400 HydrophobicContact CG2-SD 3.92Å; V383-F403 HydrophobicContact CB-CD1 4.37Å; V383-F403 HydrophobicContact CB-CD2 3.95Å; V383-F403 HydrophobicContact CB-CE1 4.03Å; V383-F403 HydrophobicContact CB-CE2 3.58Å; V383-F403 HydrophobicContact CB-CG 4.34Å; V383-F403 HydrophobicContact CB-CZ 3.62Å; V383-F403 HydrophobicContact CG1-CZ 4.46Å; V383-F403 HydrophobicContact CG2-CB 4.44Å; V383-F403 HydrophobicContact CG2-CD1 3.66Å; V383-F403 HydrophobicContact CG2-CD2 3.75Å; V383-F403 HydrophobicContact CG2-CE1 3.75Å; V383-F403 HydrophobicContact CG2-CE2 3.85Å; V383-F403 HydrophobicContact CG2-CG 3.66Å; V383-F403 HydrophobicContact CG2-CZ 3.85Å; V383-T438 HydrophobicContact CG1-CG2 4.46Å; V383-T438 PolarHBondContact N-OG1 3.06Å; V383-D439 PolarHBondContact N-O 3.33Å; V383-V440 HydrophobicContact CG1-CG2 4.01Å; V383-L458 HydrophobicContact CB-CD2 4.3Å; V383-L458 HydrophobicContact CG1-CD2 3.85Å; V383-L458 HydrophobicContact CG2-CD2 3.75Å
384	Q	97.7	Very high	98.1	Very high	20 Å²	20	21 Å²	21	9%	0.093	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	66.8	-42.8	-177.7	-48.5	-62.7	-7.9	0	0	115.4	Y263 P382 M394 D439 V440 I441	Y263-Q384 WeakPolarHBondContact OH-CG 3.28Å; P382-Q384 HydrophobicContact CB-CG 4.46Å; P382-Q384 VanDerWaalsContact CB-NE2 3.25Å; Q384-M394 HydrophobicContact CB-CE 4.33Å; Q384-M394 HydrophobicContact CB-SD 3.8Å; Q384-D439 VanDerWaalsContact CA-O 3.29Å; Q384-D439 WeakPolarHBondContact CA-O 3.5Å; Q384-D439 PolarHBondContact N-O 3.21Å; Q384-V440 WeakPolarHBondContact O-CA 3.46Å; Q384-I441 PolarHBondContact O-N 3.41Å; Q384-I441 VanDerWaalsContact OE1-CG1 3.24Å
385	S	98.5	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.			trans	-152.3	145.8	178.3	176.8	0	0	0	0	109.8	V383 S387 V390	V383-S385 WeakPolarHBondContact CG2-O 3.47Å; V383-S385 PolarHBondContact O-N 3.41Å; S385-S387 PolarHBondContact O-N 2.71Å; S385-S387 PolarHBondContact OG-N 3.36Å; S385-S387 VanDerWaalsContact OG-N 3.15Å; S385-V390 WeakPolarHBondContact OG-CB 3.3Å; S385-V390 WeakPolarHBondContact OG-CG1 3.47Å
386	G	98.4	Very high	98.1	Very high	7 Å²	7	23.3 Å²	23.3	7%	0.072	13%	0.13	C	C	.	.	S	Bend	trans	-83	10.2	171	0	0	0	0	0	114.6	M400 E454 T455	G386-M400 VanDerWaalsContact C-SD 3.59Å; G386-M400 VanDerWaalsContact CA-SD 3.53Å; G386-M400 WeakPolarHBondContact O-CG 3.01Å; G386-E454 WeakPolarHBondContact O-CB 3.25Å; G386-T455 PolarHBondContact N-OG1 3.28Å
387	S	98.6	Very high	97.9	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.014	16%	0.157	C	C	.	.			trans	-125.7	123.5	-173.7	-178.7	0	0	0	0	112.8	S385 A389 V390 L391 D451 E454	S385-S387 PolarHBondContact O-N 2.71Å; S385-S387 PolarHBondContact OG-N 3.36Å; S385-S387 VanDerWaalsContact OG-N 3.15Å; S387-A389 VanDerWaalsContact C-N 3.28Å; S387-A389 PolarHBondContact O-N 3.43Å; S387-V390 PolarHBondContact O-N 3.28Å; S387-L391 WeakPolarHBondContact O-CG 3.36Å; S387-L391 PolarHBondContact O-N 2.65Å; S387-D451 PolarHBondContact OG-OD1 3.02Å; S387-E454 WeakPolarHBondContact CA-OE2 2.93Å; S387-E454 WeakPolarHBondContact CB-OE2 3.31Å; S387-E454 PolarHBondContact OG-OE2 3.4Å
388	D	98.7	Very high	97.8	Very high	75 Å²	75	29.5 Å²	29.5	40%	0.401	16%	0.158	S	C	.	.	H	α-helix	trans	-59.3	-37.1	179.9	-74.1	-25.8	0	0	0	112.6	V390 L391 D392 T399 M400	D388-V390 VanDerWaalsContact C-N 3.27Å; D388-V390 PolarHBondContact O-N 2.89Å; D388-L391 PolarHBondContact O-N 3.28Å; D388-D392 WeakPolarHBondContact O-CB 3.44Å; D388-D392 PolarHBondContact O-N 3.2Å; D388-T399 VanDerWaalsContact OD1-CA 3.24Å; D388-T399 WeakPolarHBondContact OD1-CA 3.39Å; D388-T399 WeakPolarHBondContact OD1-CB 3.29Å; D388-M400 WeakPolarHBondContact OD1-CG 3.38Å; D388-M400 PolarHBondContact OD1-N 2.88Å
389	A	98.4	Very high	97.8	Very high	63 Å²	63	31.5 Å²	31.5	52%	0.521	17%	0.171	S	C	.	.	H	α-helix	trans	-62.8	-35.8	177.2	0	0	0	0	0	112.1	S387 A393	S387-A389 VanDerWaalsContact C-N 3.28Å; S387-A389 PolarHBondContact O-N 3.43Å; A389-A393 WeakPolarHBondContact O-CB 3.23Å; A389-A393 PolarHBondContact O-N 2.91Å
390	V	98.6	Very high	97.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-77.8	-40.7	176	174.3	0	0	0	0	110.9	S385 S387 D388 D392 A393 M394 F444 E447 D451	S385-V390 WeakPolarHBondContact OG-CB 3.3Å; S385-V390 WeakPolarHBondContact OG-CG1 3.47Å; S387-V390 PolarHBondContact O-N 3.28Å; D388-V390 VanDerWaalsContact C-N 3.27Å; D388-V390 PolarHBondContact O-N 2.89Å; V390-D392 VanDerWaalsContact C-N 3.35Å; V390-D392 PolarHBondContact O-N 2.96Å; V390-A393 PolarHBondContact O-N 2.78Å; V390-M394 HydrophobicContact CG1-CE 3.64Å; V390-M394 HydrophobicContact CG1-CG 4.35Å; V390-M394 HydrophobicContact CG1-SD 4.23Å; V390-M394 WeakPolarHBondContact O-CB 3.45Å; V390-M394 VanDerWaalsContact O-CG 3.27Å; V390-M394 WeakPolarHBondContact O-CG 3.38Å; V390-M394 PolarHBondContact O-N 2.81Å; V390-F444 HydrophobicContact CG1-CB 4.08Å; V390-F444 HydrophobicContact CG1-CD1 3.9Å; V390-F444 HydrophobicContact CG1-CG 4.19Å; V390-E447 HydrophobicContact CG2-CB 4.09Å; V390-E447 HydrophobicContact CG2-CG 4.3Å; V390-D451 HydrophobicContact CG2-CB 3.58Å
391	L	98.4	Very high	97.8	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-43.9	176	-68.9	177.6	0	0	0	111.7	V383 S387 D388 M394 K395 R396 Y398 M400	V383-L391 VanDerWaalsContact O-CD2 3.23Å; V383-L391 WeakPolarHBondContact O-CD2 3.46Å; S387-L391 WeakPolarHBondContact O-CG 3.36Å; S387-L391 PolarHBondContact O-N 2.65Å; D388-L391 PolarHBondContact O-N 3.28Å; L391-M394 CarbonylContact O-C 3.52Å; L391-M394 WeakPolarHBondContact O-CB 3.42Å; L391-M394 PolarHBondContact O-N 3.19Å; L391-K395 PolarHBondContact O-N 3.24Å; L391-K395 VanDerWaalsContact O-N 3.09Å; L391-R396 HydrophobicContact CB-CB 4.09Å; L391-R396 HydrophobicContact CD2-CB 4.08Å; L391-R396 HydrophobicContact CD2-CG 3.9Å; L391-R396 WeakPolarHBondContact O-CB 3.34Å; L391-R396 PolarHBondContact O-N 3.36Å; L391-Y398 HydrophobicContact CD1-CD2 4.19Å; L391-Y398 HydrophobicContact CD1-CE2 3.81Å; L391-Y398 HydrophobicContact CD2-CE2 4.04Å; L391-M400 HydrophobicContact CD1-CG 4.03Å; L391-M400 HydrophobicContact CD1-SD 3.73Å
392	D	98.2	Very high	97.8	Very high	124 Å²	124	42.2 Å²	42.2	66%	0.663	22%	0.222	S	C	*	.	H	α-helix	trans	-62.7	-46.3	175	-178.6	63.6	0	0	0	111.7	D388 V390 M394 K395	D388-D392 WeakPolarHBondContact O-CB 3.44Å; D388-D392 PolarHBondContact O-N 3.2Å; V390-D392 VanDerWaalsContact C-N 3.35Å; V390-D392 PolarHBondContact O-N 2.96Å; D392-M394 PolarHBondContact O-N 3.35Å; D392-K395 WeakPolarHBondContact O-CA 3.03Å; D392-K395 PolarHBondContact O-N 3.5Å
393	A	98.3	Very high	97.8	Very high	23 Å²	23	42.2 Å²	42.2	19%	0.19	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-30.6	175.6	0	0	0	0	0	113	T262 A389 V390 K395 F444 T446	T262-A393 WeakPolarHBondContact CG2-O 3.48Å; T262-A393 PolarHBondContact OG1-O 3.02Å; A389-A393 WeakPolarHBondContact O-CB 3.23Å; A389-A393 PolarHBondContact O-N 2.91Å; V390-A393 PolarHBondContact O-N 2.78Å; A393-K395 PolarHBondContact O-N 2.85Å; A393-F444 HydrophobicContact CB-CE1 3.8Å; A393-T446 HydrophobicContact CB-CG2 4.07Å; A393-T446 VanDerWaalsContact CB-OG1 3.29Å; A393-T446 WeakPolarHBondContact CB-OG1 3.39Å
394	M	97.8	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-71.5	-14.6	170.2	-78	-177.9	-177.5	0	0	112.9	C261 T262 Y263 Q384 V390 L391 D392 R396 I441 F444	C261-M394 CarbonylContact C-O 3.59Å; C261-M394 WeakPolarHBondContact CA-O 3.38Å; T262-M394 PolarHBondContact N-O 2.91Å; T262-M394 WeakPolarHBondContact OG1-CA 2.81Å; T262-M394 PolarHBondContact OG1-O 3.12Å; Y263-M394 HydrophobicContact CD1-CB 4.24Å; Y263-M394 HydrophobicContact CD1-CG 4.07Å; Y263-M394 HydrophobicContact CE1-CB 3.92Å; Y263-M394 HydrophobicContact CE1-CG 3.89Å; Y263-M394 HydrophobicContact CE1-SD 4.02Å; Q384-M394 HydrophobicContact CB-CE 4.33Å; Q384-M394 HydrophobicContact CB-SD 3.8Å; V390-M394 HydrophobicContact CG1-CE 3.64Å; V390-M394 HydrophobicContact CG1-CG 4.35Å; V390-M394 HydrophobicContact CG1-SD 4.23Å; V390-M394 WeakPolarHBondContact O-CB 3.45Å; V390-M394 VanDerWaalsContact O-CG 3.27Å; V390-M394 WeakPolarHBondContact O-CG 3.38Å; V390-M394 PolarHBondContact O-N 2.81Å; L391-M394 CarbonylContact O-C 3.52Å; L391-M394 WeakPolarHBondContact O-CB 3.42Å; L391-M394 PolarHBondContact O-N 3.19Å; D392-M394 PolarHBondContact O-N 3.35Å; M394-R396 HydrophobicContact CB-CG 3.75Å; M394-R396 HydrophobicContact SD-CG 4.38Å; M394-I441 HydrophobicContact CE-CB 4.17Å; M394-I441 HydrophobicContact CE-CG2 4.45Å; M394-F444 HydrophobicContact CB-CE2 4.44Å; M394-F444 HydrophobicContact CB-CZ 4.28Å; M394-F444 HydrophobicContact CE-CB 3.52Å; M394-F444 HydrophobicContact CE-CD1 4.25Å; M394-F444 HydrophobicContact CE-CD2 3.59Å; M394-F444 HydrophobicContact CE-CE2 4.42Å; M394-F444 HydrophobicContact CE-CG 3.49Å; M394-F444 VanDerWaalsContact CE-CG 3.49Å; M394-F444 HydrophobicContact CG-CD1 3.96Å; M394-F444 HydrophobicContact CG-CD2 3.65Å; M394-F444 HydrophobicContact CG-CE1 3.83Å; M394-F444 HydrophobicContact CG-CE2 3.51Å; M394-F444 HydrophobicContact CG-CG 3.88Å; M394-F444 HydrophobicContact CG-CZ 3.61Å; M394-F444 HydrophobicContact SD-CD2 4.43Å
395	K	97	Very high	97.9	Very high	121 Å²	121	44.8 Å²	44.8	53%	0.526	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	52.3	-164.8	-68.3	-176.8	178.9	-165.2	0	111.8	T262 L391 D392 A393	T262-K395 HydrophobicContact CG2-CB 4.04Å; T262-K395 HydrophobicContact CG2-CD 3.66Å; T262-K395 HydrophobicContact CG2-CG 3.6Å; L391-K395 PolarHBondContact O-N 3.24Å; L391-K395 VanDerWaalsContact O-N 3.09Å; D392-K395 WeakPolarHBondContact O-CA 3.03Å; D392-K395 PolarHBondContact O-N 3.5Å; A393-K395 PolarHBondContact O-N 2.85Å
396	R	96.1	Very high	97.8	Very high	14 Å²	14	44.8 Å²	44.8	5%	0.053	24%	0.242	C	C	.	.			trans	-90.3	121.8	165.1	-61	-67.7	-75.4	158.7	-3.3	106.5	N355 P382 L391 M394 Y398	N355-R396 VanDerWaalsContact OD1-CZ 3.26Å; N355-R396 PolarHBondContact OD1-NH1 3.48Å; N355-R396 PolarHBondContact OD1-NH2 2.87Å; P382-R396 PolarHBondContact O-NH2 2.97Å; L391-R396 HydrophobicContact CB-CB 4.09Å; L391-R396 HydrophobicContact CD2-CB 4.08Å; L391-R396 HydrophobicContact CD2-CG 3.9Å; L391-R396 WeakPolarHBondContact O-CB 3.34Å; L391-R396 PolarHBondContact O-N 3.36Å; M394-R396 HydrophobicContact CB-CG 3.75Å; M394-R396 HydrophobicContact SD-CG 4.38Å; R396-Y398 HydrophobicContact CB-CD1 4.09Å; R396-Y398 HydrophobicContact CB-CE1 3.67Å; R396-Y398 HydrophobicContact CG-CE1 4.26Å; R396-Y398 PolarHBondContact NE-OH 2.74Å; R396-Y398 PolarHBondContact NH2-OH 3.45Å; R396-Y398 PolarHBondContact O-N 2.91Å
397	E	94.2	Very high	97.8	Very high	122 Å²	122	44.4 Å²	44.4	57%	0.57	24%	0.238	S	C	*	.	S	Bend	trans	-84.1	41.9	-174.6	-61.2	-179.7	150.1	0	0	111.4	P357	P357-E397 HydrophobicContact CG-CB 4.24Å; P357-E397 WeakPolarHBondContact CG-O 3.33Å
398	Y	96.8	Very high	97.8	Very high	9 Å²	9	47.7 Å²	47.7	4%	0.035	26%	0.255	C	S	.	.			trans	-151.6	159.4	174	60.6	-87.7	0	0	0	111.8	P356 P357 P382 V383 L391 R396 E402 F403	P356-Y398 HydrophobicContact CB-CD1 3.94Å; P356-Y398 HydrophobicContact CB-CD2 4.1Å; P356-Y398 HydrophobicContact CB-CE1 4.35Å; P356-Y398 HydrophobicContact CB-CG 3.78Å; P356-Y398 HydrophobicContact CG-CD1 3.97Å; P356-Y398 HydrophobicContact CG-CD2 4.01Å; P356-Y398 HydrophobicContact CG-CE1 3.86Å; P356-Y398 HydrophobicContact CG-CE2 3.98Å; P356-Y398 HydrophobicContact CG-CG 4.02Å; P357-Y398 HydrophobicContact CG-CD1 3.68Å; P357-Y398 HydrophobicContact CG-CG 4.35Å; P382-Y398 PolarHBondContact O-OH 2.78Å; V383-Y398 PolarHBondContact O-OH 2.94Å; L391-Y398 HydrophobicContact CD1-CD2 4.19Å; L391-Y398 HydrophobicContact CD1-CE2 3.81Å; L391-Y398 HydrophobicContact CD2-CE2 4.04Å; R396-Y398 HydrophobicContact CB-CD1 4.09Å; R396-Y398 HydrophobicContact CB-CE1 3.67Å; R396-Y398 HydrophobicContact CG-CE1 4.26Å; R396-Y398 PolarHBondContact NE-OH 2.74Å; R396-Y398 PolarHBondContact NH2-OH 3.45Å; R396-Y398 PolarHBondContact O-N 2.91Å; Y398-E402 WeakPolarHBondContact CA-OE2 3.36Å; Y398-E402 WeakPolarHBondContact CB-OE2 3.19Å; Y398-F403 HydrophobicContact CD2-CB 4.22Å; Y398-F403 HydrophobicContact CE2-CB 4.34Å
399	T	98.1	Very high	97.8	Very high	51 Å²	51	47.3 Å²	47.3	31%	0.313	25%	0.249	S	C	.	.			trans	-100.4	169.2	173.3	70.7	0	0	0	0	112.6	D388 E401 E402 F403	D388-T399 VanDerWaalsContact OD1-CA 3.24Å; D388-T399 WeakPolarHBondContact OD1-CA 3.39Å; D388-T399 WeakPolarHBondContact OD1-CB 3.29Å; T399-E401 VanDerWaalsContact C-N 3.27Å; T399-E401 PolarHBondContact O-N 2.8Å; T399-E401 PolarHBondContact OG1-N 3Å; T399-E402 PolarHBondContact N-OE2 2.89Å; T399-E402 PolarHBondContact O-N 2.86Å; T399-E402 PolarHBondContact OG1-N 2.97Å; T399-F403 PolarHBondContact O-N 3.43Å
400	M	98.1	Very high	97.8	Very high	25 Å²	25	44.3 Å²	44.3	12%	0.123	22%	0.224	C	C	.	.	H	α-helix	trans	-64.6	-30.3	172.5	-75.8	-50.8	-50.8	0	0	113.6	V383 G386 D388 L391 F403 S404 L458	V383-M400 HydrophobicContact CG2-CE 4.15Å; V383-M400 HydrophobicContact CG2-SD 3.92Å; G386-M400 VanDerWaalsContact C-SD 3.59Å; G386-M400 VanDerWaalsContact CA-SD 3.53Å; G386-M400 WeakPolarHBondContact O-CG 3.01Å; D388-M400 WeakPolarHBondContact OD1-CG 3.38Å; D388-M400 PolarHBondContact OD1-N 2.88Å; L391-M400 HydrophobicContact CD1-CG 4.03Å; L391-M400 HydrophobicContact CD1-SD 3.73Å; M400-F403 HydrophobicContact CE-CD1 3.97Å; M400-S404 VanDerWaalsContact O-CB 3.22Å; M400-S404 WeakPolarHBondContact O-CB 3.36Å; M400-S404 PolarHBondContact O-N 3.05Å; M400-S404 PolarHBondContact O-OG 2.76Å; M400-L458 HydrophobicContact CE-CD1 3.37Å; M400-L458 HydrophobicContact CE-CD2 3.56Å; M400-L458 HydrophobicContact CE-CG 3.97Å
401	E	98.1	Very high	97.7	Very high	150 Å²	150	49.1 Å²	49.1	70%	0.701	25%	0.248	S	C	*	.	H	α-helix	trans	-65.7	-44.7	172.9	-177.6	176.6	-169.4	0	0	110.9	T399 S404 S405	T399-E401 VanDerWaalsContact C-N 3.27Å; T399-E401 PolarHBondContact O-N 2.8Å; T399-E401 PolarHBondContact OG1-N 3Å; E401-S404 PolarHBondContact O-N 3.31Å; E401-S405 WeakPolarHBondContact O-CB 3.38Å; E401-S405 PolarHBondContact O-N 3.42Å; E401-S405 PolarHBondContact O-OG 3.32Å
402	E	98.1	Very high	97.6	Very high	79 Å²	79	55.2 Å²	55.2	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-65.9	-45.3	177.3	-75.7	174.3	150.3	0	0	111.8	L360 Y398 T399 S404 S405 V406	L360-E402 HydrophobicContact CD1-CB 3.82Å; L360-E402 HydrophobicContact CD1-CG 4.25Å; Y398-E402 WeakPolarHBondContact CA-OE2 3.36Å; Y398-E402 WeakPolarHBondContact CB-OE2 3.19Å; T399-E402 PolarHBondContact N-OE2 2.89Å; T399-E402 PolarHBondContact O-N 2.86Å; T399-E402 PolarHBondContact OG1-N 2.97Å; E402-S404 VanDerWaalsContact C-N 3.35Å; E402-S404 PolarHBondContact O-N 2.86Å; E402-S405 WeakPolarHBondContact O-CB 3.45Å; E402-S405 PolarHBondContact O-N 2.84Å; E402-V406 WeakPolarHBondContact O-CG2 3.29Å; E402-V406 PolarHBondContact O-N 2.93Å
403	F	98.4	Very high	97.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-47.2	173	173.9	-95.3	0	0	0	111.6	P356 I381 V383 Y398 T399 M400 S405 V406 V407 L458 Y462 F464	P356-F403 HydrophobicContact CG-CD2 3.9Å; I381-F403 HydrophobicContact CB-CE2 4.42Å; I381-F403 HydrophobicContact CG2-CD2 4.26Å; I381-F403 HydrophobicContact CG2-CE2 3.9Å; V383-F403 HydrophobicContact CB-CD1 4.37Å; V383-F403 HydrophobicContact CB-CD2 3.95Å; V383-F403 HydrophobicContact CB-CE1 4.03Å; V383-F403 HydrophobicContact CB-CE2 3.58Å; V383-F403 HydrophobicContact CB-CG 4.34Å; V383-F403 HydrophobicContact CB-CZ 3.62Å; V383-F403 HydrophobicContact CG1-CZ 4.46Å; V383-F403 HydrophobicContact CG2-CB 4.44Å; V383-F403 HydrophobicContact CG2-CD1 3.66Å; V383-F403 HydrophobicContact CG2-CD2 3.75Å; V383-F403 HydrophobicContact CG2-CE1 3.75Å; V383-F403 HydrophobicContact CG2-CE2 3.85Å; V383-F403 HydrophobicContact CG2-CG 3.66Å; V383-F403 HydrophobicContact CG2-CZ 3.85Å; Y398-F403 HydrophobicContact CD2-CB 4.22Å; Y398-F403 HydrophobicContact CE2-CB 4.34Å; T399-F403 PolarHBondContact O-N 3.43Å; M400-F403 HydrophobicContact CE-CD1 3.97Å; F403-S405 VanDerWaalsContact C-N 3.29Å; F403-S405 PolarHBondContact O-N 3.28Å; F403-V406 WeakPolarHBondContact O-CB 3.44Å; F403-V406 PolarHBondContact O-N 2.88Å; F403-V407 HydrophobicContact CD1-CG2 4.27Å; F403-V407 HydrophobicContact CE1-CG2 3.72Å; F403-V407 HydrophobicContact CE2-CG2 4.05Å; F403-V407 HydrophobicContact CZ-CG2 3.59Å; F403-V407 WeakPolarHBondContact O-CG2 3.21Å; F403-V407 PolarHBondContact O-N 3.31Å; F403-V407 VanDerWaalsContact O-N 3.1Å; F403-L458 HydrophobicContact CD1-CD1 4.32Å; F403-L458 HydrophobicContact CE1-CD1 4.14Å; F403-L458 HydrophobicContact CE1-CD2 4.16Å; F403-Y462 HydrophobicContact CE1-CE2 4.48Å; F403-F464 AromaticContact CE1-CZ 3.95Å; F403-F464 HydrophobicContact CE1-CZ 3.95Å; F403-F464 HydrophobicContact CZ-CE1 4.42Å; F403-F464 AromaticContact CZ-CZ 3.83Å; F403-F464 HydrophobicContact CZ-CZ 3.83Å
404	S	98.3	Very high	97.4	Very high	17 Å²	17	51.1 Å²	51.1	12%	0.119	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-40	178.3	-62.3	0	0	0	0	111.2	M400 E401 E402 V406 V407 D408 Y462	M400-S404 VanDerWaalsContact O-CB 3.22Å; M400-S404 WeakPolarHBondContact O-CB 3.36Å; M400-S404 PolarHBondContact O-N 3.05Å; M400-S404 PolarHBondContact O-OG 2.76Å; E401-S404 PolarHBondContact O-N 3.31Å; E402-S404 VanDerWaalsContact C-N 3.35Å; E402-S404 PolarHBondContact O-N 2.86Å; S404-V406 VanDerWaalsContact C-N 3.33Å; S404-V406 PolarHBondContact O-N 3.35Å; S404-V407 PolarHBondContact O-N 3.03Å; S404-D408 VanDerWaalsContact O-CB 3.24Å; S404-D408 WeakPolarHBondContact O-CB 3.45Å; S404-D408 PolarHBondContact O-N 3.04Å; S404-Y462 WeakPolarHBondContact CA-OH 3.33Å; S404-Y462 VanDerWaalsContact CB-OH 3.26Å; S404-Y462 WeakPolarHBondContact CB-OH 3.41Å; S404-Y462 PolarHBondContact O-OH 2.85Å
405	S	98.1	Very high	97.1	Very high	56 Å²	56	57.4 Å²	57.4	39%	0.392	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-40.8	176.4	-61.5	0	0	0	0	112.2	E401 E402 F403 Y409	E401-S405 WeakPolarHBondContact O-CB 3.38Å; E401-S405 PolarHBondContact O-N 3.42Å; E401-S405 PolarHBondContact O-OG 3.32Å; E402-S405 WeakPolarHBondContact O-CB 3.45Å; E402-S405 PolarHBondContact O-N 2.84Å; F403-S405 VanDerWaalsContact C-N 3.29Å; F403-S405 PolarHBondContact O-N 3.28Å; S405-Y409 WeakPolarHBondContact O-CB 3.37Å; S405-Y409 PolarHBondContact O-N 3.46Å
406	V	98.1	Very high	96.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.1	-52.9	172.7	174.7	0	0	0	0	110.8	I359 L360 L363 I381 E402 F403 S404 L410	I359-V406 HydrophobicContact CG2-CG1 3.76Å; I359-V406 HydrophobicContact CG2-CG2 3.9Å; L360-V406 HydrophobicContact CD1-CG2 4.18Å; L360-V406 HydrophobicContact CD2-CG2 3.33Å; L360-V406 HydrophobicContact CG-CG2 3.4Å; L363-V406 HydrophobicContact CD1-CB 4.47Å; L363-V406 HydrophobicContact CD1-CG1 3.92Å; I381-V406 HydrophobicContact CD1-CG1 3.71Å; E402-V406 WeakPolarHBondContact O-CG2 3.29Å; E402-V406 PolarHBondContact O-N 2.93Å; F403-V406 WeakPolarHBondContact O-CB 3.44Å; F403-V406 PolarHBondContact O-N 2.88Å; S404-V406 VanDerWaalsContact C-N 3.33Å; S404-V406 PolarHBondContact O-N 3.35Å; V406-L410 HydrophobicContact CG1-CD1 3.86Å; V406-L410 WeakPolarHBondContact O-CB 3.49Å; V406-L410 VanDerWaalsContact O-CG 3.25Å; V406-L410 WeakPolarHBondContact O-CG 3.34Å; V406-L410 PolarHBondContact O-N 3.39Å
407	V	98.2	Very high	96.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-49.1	-175.1	175.6	0	0	0	0	110.9	F403 S404 Y409 L410 M411 I436 Y462 F464	F403-V407 HydrophobicContact CD1-CG2 4.27Å; F403-V407 HydrophobicContact CE1-CG2 3.72Å; F403-V407 HydrophobicContact CE2-CG2 4.05Å; F403-V407 HydrophobicContact CZ-CG2 3.59Å; F403-V407 WeakPolarHBondContact O-CG2 3.21Å; F403-V407 PolarHBondContact O-N 3.31Å; F403-V407 VanDerWaalsContact O-N 3.1Å; S404-V407 PolarHBondContact O-N 3.03Å; V407-Y409 PolarHBondContact O-N 3.01Å; V407-L410 PolarHBondContact O-N 3.41Å; V407-M411 HydrophobicContact CG1-CG 4.31Å; V407-M411 HydrophobicContact CG1-SD 3.7Å; V407-M411 WeakPolarHBondContact O-CB 3.5Å; V407-M411 VanDerWaalsContact O-CG 3.31Å; V407-M411 WeakPolarHBondContact O-CG 3.47Å; V407-M411 PolarHBondContact O-N 2.94Å; V407-I436 HydrophobicContact CB-CD1 4.33Å; V407-I436 HydrophobicContact CG1-CD1 3.8Å; V407-I436 HydrophobicContact CG2-CD1 4.32Å; V407-Y462 HydrophobicContact CB-CE1 4.02Å; V407-Y462 HydrophobicContact CG1-CD1 3.45Å; V407-Y462 VanDerWaalsContact CG1-CD1 3.45Å; V407-Y462 HydrophobicContact CG1-CE1 3.29Å; V407-Y462 HydrophobicContact CG1-CE2 4.39Å; V407-Y462 HydrophobicContact CG1-CG 4.09Å; V407-F464 HydrophobicContact CG1-CE1 4.26Å; V407-F464 HydrophobicContact CG2-CE1 4.37Å
408	D	98.3	Very high	96.4	Very high	70 Å²	70	51.4 Å²	51.4	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-60.7	-45.4	-178.6	-67.3	-13.5	0	0	0	110.6	S404 M411 Q412 K461 Y462	S404-D408 VanDerWaalsContact O-CB 3.24Å; S404-D408 WeakPolarHBondContact O-CB 3.45Å; S404-D408 PolarHBondContact O-N 3.04Å; D408-M411 PolarHBondContact O-N 3.41Å; D408-Q412 VanDerWaalsContact O-CB 3.27Å; D408-Q412 WeakPolarHBondContact O-CB 3.33Å; D408-Q412 PolarHBondContact O-N 3.47Å; D408-K461 IonicContact OD2-NZ 2.95Å; D408-Y462 VanDerWaalsContact CG-OH 3.31Å; D408-Y462 WeakPolarHBondContact OD1-CE1 3.41Å; D408-Y462 VanDerWaalsContact OD1-CZ 3.31Å; D408-Y462 PolarHBondContact OD1-OH 3Å; D408-Y462 PolarHBondContact OD2-OH 3.31Å
409	Y	98.2	Very high	96.1	Very high	68 Å²	68	53.6 Å²	53.6	27%	0.267	27%	0.273	S	S	.	.	H	α-helix	trans	-62.9	-45.7	177.4	-174.7	-82.2	0	0	0	112	L363 V364 A367 S405 V407 Q412 N413	L363-Y409 HydrophobicContact CB-CD1 4.49Å; L363-Y409 HydrophobicContact CD1-CD1 4.35Å; L363-Y409 HydrophobicContact CD2-CD1 3.66Å; L363-Y409 HydrophobicContact CD2-CD2 4.27Å; L363-Y409 HydrophobicContact CD2-CE1 4.45Å; L363-Y409 HydrophobicContact CD2-CG 3.56Å; L363-Y409 HydrophobicContact CG-CD1 3.47Å; L363-Y409 VanDerWaalsContact CG-CD1 3.47Å; L363-Y409 HydrophobicContact CG-CE1 4Å; L363-Y409 HydrophobicContact CG-CG 3.95Å; V364-Y409 WeakPolarHBondContact CG2-OH 3.31Å; A367-Y409 HydrophobicContact CB-CD1 4.44Å; A367-Y409 HydrophobicContact CB-CE1 3.89Å; S405-Y409 WeakPolarHBondContact O-CB 3.37Å; S405-Y409 PolarHBondContact O-N 3.46Å; V407-Y409 PolarHBondContact O-N 3.01Å; Y409-Q412 PolarHBondContact O-N 2.79Å; Y409-N413 HydrophobicContact CD1-CB 4.36Å; Y409-N413 WeakPolarHBondContact CD2-ND2 3.22Å; Y409-N413 HydrophobicContact CE1-CB 4.03Å; Y409-N413 WeakPolarHBondContact CE2-ND2 3.31Å; Y409-N413 WeakPolarHBondContact O-CB 3.25Å; Y409-N413 PolarHBondContact O-N 2.91Å; Y409-N413 PolarHBondContact O-ND2 3.01Å
410	L	98	Very high	95.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-45.1	179.7	-70.3	173.6	0	0	0	111.3	L363 A367 L370 L379 I381 V406 V407 Q412 N413 V414 L434 I436	L363-L410 HydrophobicContact CD1-CD1 4.36Å; L363-L410 HydrophobicContact CD1-CD2 3.93Å; L363-L410 HydrophobicContact CD1-CG 3.92Å; A367-L410 HydrophobicContact CB-CD2 4.07Å; L370-L410 HydrophobicContact CD1-CD2 4.09Å; L379-L410 HydrophobicContact CD2-CD1 3.99Å; I381-L410 HydrophobicContact CD1-CD1 3.66Å; V406-L410 HydrophobicContact CG1-CD1 3.86Å; V406-L410 WeakPolarHBondContact O-CB 3.49Å; V406-L410 VanDerWaalsContact O-CG 3.25Å; V406-L410 WeakPolarHBondContact O-CG 3.34Å; V406-L410 PolarHBondContact O-N 3.39Å; V407-L410 PolarHBondContact O-N 3.41Å; L410-Q412 VanDerWaalsContact C-N 3.25Å; L410-Q412 PolarHBondContact O-N 3.12Å; L410-N413 PolarHBondContact O-N 2.87Å; L410-V414 HydrophobicContact CD2-CG2 4.43Å; L410-V414 WeakPolarHBondContact O-CB 3.41Å; L410-V414 WeakPolarHBondContact O-CG2 3.12Å; L410-V414 PolarHBondContact O-N 2.91Å; L410-L434 HydrophobicContact CB-CD2 3.7Å; L410-I436 HydrophobicContact CB-CD1 4.48Å
411	M	96.5	Very high	95.3	Very high	101 Å²	101	54.9 Å²	54.9	50%	0.498	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-34	176.8	-71.1	179.3	71.2	0	0	112.2	V407 D408 L434 I436 Y462	V407-M411 HydrophobicContact CG1-CG 4.31Å; V407-M411 HydrophobicContact CG1-SD 3.7Å; V407-M411 WeakPolarHBondContact O-CB 3.5Å; V407-M411 VanDerWaalsContact O-CG 3.31Å; V407-M411 WeakPolarHBondContact O-CG 3.47Å; V407-M411 PolarHBondContact O-N 2.94Å; D408-M411 PolarHBondContact O-N 3.41Å; M411-L434 HydrophobicContact CG-CD2 4.39Å; M411-I436 HydrophobicContact CG-CD1 4.27Å; M411-Y462 HydrophobicContact SD-CD1 4.04Å; M411-Y462 HydrophobicContact SD-CE1 4.33Å
412	Q	96.9	Very high	94.7	Very high	129 Å²	129	51.6 Å²	51.6	60%	0.603	29%	0.291	S	S	*	.	H	α-helix	trans	-75.5	-38.3	177.6	-172.6	179	26.4	0	0	112.6	D408 Y409 L410 K415	D408-Q412 VanDerWaalsContact O-CB 3.27Å; D408-Q412 WeakPolarHBondContact O-CB 3.33Å; D408-Q412 PolarHBondContact O-N 3.47Å; Y409-Q412 PolarHBondContact O-N 2.79Å; L410-Q412 VanDerWaalsContact C-N 3.25Å; L410-Q412 PolarHBondContact O-N 3.12Å; Q412-K415 WeakPolarHBondContact O-CE 3.09Å; Q412-K415 PolarHBondContact O-NZ 2.93Å
413	N	96.3	Very high	94.2	Very high	60 Å²	60	49.7 Å²	49.7	32%	0.321	29%	0.289	S	S	.	.	H	α-helix	trans	-102.1	-24	-167.4	-68	-73.7	0	0	0	114.5	A367 Y409 L410 K415	A367-N413 HydrophobicContact CB-CB 4.18Å; Y409-N413 HydrophobicContact CD1-CB 4.36Å; Y409-N413 WeakPolarHBondContact CD2-ND2 3.22Å; Y409-N413 HydrophobicContact CE1-CB 4.03Å; Y409-N413 WeakPolarHBondContact CE2-ND2 3.31Å; Y409-N413 WeakPolarHBondContact O-CB 3.25Å; Y409-N413 PolarHBondContact O-N 2.91Å; Y409-N413 PolarHBondContact O-ND2 3.01Å; L410-N413 PolarHBondContact O-N 2.87Å; N413-K415 PolarHBondContact O-N 3.31Å
414	V	96.4	Very high	93.6	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	31%	0.31	C	S	.	.	S	Bend	trans	-82.8	106.2	171.9	-176.8	0	0	0	0	108.7	A367 L370 L410 T433 L434	A367-V414 HydrophobicContact CB-CG2 4.16Å; L370-V414 HydrophobicContact CB-CG1 4.3Å; L370-V414 HydrophobicContact CB-CG2 3.95Å; L370-V414 HydrophobicContact CD1-CG2 4.22Å; L410-V414 HydrophobicContact CD2-CG2 4.43Å; L410-V414 WeakPolarHBondContact O-CB 3.41Å; L410-V414 WeakPolarHBondContact O-CG2 3.12Å; L410-V414 PolarHBondContact O-N 2.91Å; V414-T433 WeakPolarHBondContact O-CG2 3.15Å; V414-L434 HydrophobicContact CB-CB 4.41Å; V414-L434 HydrophobicContact CB-CD2 4.31Å; V414-L434 HydrophobicContact CG1-CB 4.27Å; V414-L434 HydrophobicContact CG1-CD1 4.35Å; V414-L434 HydrophobicContact CG2-CD2 4.4Å
415	K	91.2	Very high	92.6	Very high	132 Å²	132	61.1 Å²	61.1	57%	0.574	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-85.3	150.4	-176.1	-58.9	-53.6	-174.8	-175.3	0	111.8	Q412 N413	Q412-K415 WeakPolarHBondContact O-CE 3.09Å; Q412-K415 PolarHBondContact O-NZ 2.93Å; N413-K415 PolarHBondContact O-N 3.31Å
416	P	90.8	Very high	91.9	Very high	60 Å²	60	65.2 Å²	65.2	39%	0.39	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-59.1	149.3	171.9	24.4	-32.7	0	0	0	110.5	N429 T433	P416-N429 HydrophobicContact CB-CB 4.29Å; P416-T433 HydrophobicContact CB-CG2 4.47Å
417	P	91.2	Very high	91.4	Very high	16 Å²	16	67.7 Å²	67.7	10%	0.104	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-65	169.8	175.9	28.9	-34.3	0	0	0	111.4	N429 G432 K536 V580	P417-N429 PolarHBondContact O-ND2 2.97Å; P417-G432 WeakPolarHBondContact CD-O 3.42Å; P417-K536 HydrophobicContact CB-CG 4.19Å; P417-K536 HydrophobicContact CG-CB 4.12Å; P417-K536 HydrophobicContact CG-CG 4Å; P417-V580 HydrophobicContact CB-CB 4.39Å; P417-V580 HydrophobicContact CB-CG1 3.82Å; P417-V580 HydrophobicContact CB-CG2 3.92Å
418	N	90.4	Very high	90.9	Very high	56 Å²	56	71.2 Å²	71.2	30%	0.299	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-60.3	148.4	173.7	-63.2	-31.2	0	0	0	111.7	V580 F581 E583	N418-V580 HydrophobicContact CB-CG1 4.45Å; N418-F581 HydrophobicContact CB-CB 4.28Å; N418-F581 WeakPolarHBondContact CB-O 3.37Å; N418-F581 PolarHBondContact ND2-O 3.35Å; N418-F581 WeakPolarHBondContact O-CD2 3.3Å; N418-E583 VanDerWaalsContact ND2-CG 3.34Å; N418-E583 WeakPolarHBondContact ND2-CG 3.34Å
419	L	90.9	Very high	90.6	Very high	55 Å²	55	69.2 Å²	69.2	29%	0.288	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-74.4	160.8	171.2	-72	170.7	0	0	0	111.3	A423 T427 N429 F581	L419-A423 HydrophobicContact CB-CB 3.92Å; L419-A423 HydrophobicContact CD1-CB 4.36Å; L419-T427 HydrophobicContact CD2-CG2 4.21Å; L419-N429 HydrophobicContact CD2-CB 4.2Å; L419-F581 WeakPolarHBondContact O-CB 3.34Å
420	P	89.8	Confident	90.2	Very high	20 Å²	20	66.1 Å²	66.1	13%	0.13	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-54.7	144.7	171	-20.6	28.8	0	0	0	112.2	G422 A423 E516 F581	P420-G422 PolarHBondContact O-N 3.46Å; P420-A423 WeakPolarHBondContact O-CB 3.46Å; P420-A423 PolarHBondContact O-N 2.98Å; P420-E516 HydrophobicContact CG-CB 4.1Å; P420-E516 WeakPolarHBondContact CG-O 3.35Å; P420-F581 HydrophobicContact CB-CD1 4.48Å; P420-F581 HydrophobicContact CB-CD2 4.45Å; P420-F581 HydrophobicContact CB-CE1 4.12Å; P420-F581 HydrophobicContact CB-CE2 4.09Å; P420-F581 HydrophobicContact CB-CZ 3.91Å; P420-F581 HydrophobicContact CG-CD2 4.19Å; P420-F581 HydrophobicContact CG-CE1 4.4Å; P420-F581 HydrophobicContact CG-CE2 3.57Å; P420-F581 HydrophobicContact CG-CZ 3.69Å
421	P	88.7	Confident	89.9	Confident	82 Å²	82	66.2 Å²	66.2	53%	0.532	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	130.2	173.5	-25.7	34.6	0	0	0	111.7	A423	P421-A423 VanDerWaalsContact C-N 3.34Å
422	G	85.8	Confident	89.6	Confident	82 Å²	82	61.4 Å²	61.4	85%	0.845	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	0.3	-178.4	0	0	0	0	0	115.5	P420	P420-G422 PolarHBondContact O-N 3.46Å
423	A	87	Confident	89.4	Confident	39 Å²	39	57.9 Å²	57.9	32%	0.322	35%	0.346	S	S	.	.			trans	-60.3	142.2	170.5	0	0	0	0	0	111.3	L419 P420 P421 T427	L419-A423 HydrophobicContact CB-CB 3.92Å; L419-A423 HydrophobicContact CD1-CB 4.36Å; P420-A423 WeakPolarHBondContact O-CB 3.46Å; P420-A423 PolarHBondContact O-N 2.98Å; P421-A423 VanDerWaalsContact C-N 3.34Å; A423-T427 HydrophobicContact CB-CG2 4.33Å
424	A	86.1	Confident	89.4	Confident	53 Å²	53	56.2 Å²	56.2	44%	0.438	34%	0.337	S	S	.	.			trans	-64.8	153.3	174.7	0	0	0	0	0	111.1	D426 T427	A424-D426 WeakPolarHBondContact CB-OD1 3.27Å; A424-D426 PolarHBondContact O-N 2.95Å; A424-D426 VanDerWaalsContact O-N 3.15Å; A424-T427 PolarHBondContact N-OG1 3.44Å; A424-T427 VanDerWaalsContact N-OG1 3.09Å; A424-T427 VanDerWaalsContact O-CB 3.25Å; A424-T427 WeakPolarHBondContact O-CB 3.43Å; A424-T427 PolarHBondContact O-N 3.37Å; A424-T427 PolarHBondContact O-OG1 2.79Å
425	H	78.4	Confident	89.5	Confident	204 Å²	204	56.4 Å²	56.4	94%	0.944	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.5	-176.1	-78.6	-69.8	0	0	0	114.6
426	D	83.3	Confident	89.8	Confident	142 Å²	142	50.4 Å²	50.4	76%	0.759	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	8.5	179.8	62.8	-28.5	0	0	0	113.4	A424 V428	A424-D426 WeakPolarHBondContact CB-OD1 3.27Å; A424-D426 PolarHBondContact O-N 2.95Å; A424-D426 VanDerWaalsContact O-N 3.15Å; D426-V428 PolarHBondContact O-N 3.37Å
427	T	86.5	Confident	90.2	Very high	52 Å²	52	47.5 Å²	47.5	32%	0.319	29%	0.293	S	S	.	.			trans	-64.9	130.2	-179.8	-54.6	0	0	0	0	111	L419 A423 A424	L419-T427 HydrophobicContact CD2-CG2 4.21Å; A423-T427 HydrophobicContact CB-CG2 4.33Å; A424-T427 PolarHBondContact N-OG1 3.44Å; A424-T427 VanDerWaalsContact N-OG1 3.09Å; A424-T427 VanDerWaalsContact O-CB 3.25Å; A424-T427 WeakPolarHBondContact O-CB 3.43Å; A424-T427 PolarHBondContact O-N 3.37Å; A424-T427 PolarHBondContact O-OG1 2.79Å
428	V	89.4	Confident	90.5	Very high	74 Å²	74	46.8 Å²	46.8	45%	0.448	29%	0.288	S	S	.	.			trans	-64.3	134.5	171.9	177.2	0	0	0	0	109.8	D426 G430 C515	D426-V428 PolarHBondContact O-N 3.37Å; V428-G430 PolarHBondContact O-N 3.1Å; V428-C515 PolarHBondContact O-SG 3.04Å; V428-C515 VanDerWaalsContact O-SG 3.39Å
429	N	90.2	Very high	90.9	Very high	27 Å²	27	44.8 Å²	44.8	14%	0.144	28%	0.278	C	S	.	.			trans	-71.8	105.7	174.4	-166.1	-49.2	0	0	0	110.7	P416 P417 L419 S431 R512	P416-N429 HydrophobicContact CB-CB 4.29Å; P417-N429 PolarHBondContact O-ND2 2.97Å; L419-N429 HydrophobicContact CD2-CB 4.2Å; N429-S431 PolarHBondContact O-N 3.3Å; N429-S431 WeakPolarHBondContact OD1-CA 3.34Å; N429-S431 VanDerWaalsContact OD1-CB 3.31Å; N429-S431 WeakPolarHBondContact OD1-CB 3.26Å; N429-S431 PolarHBondContact OD1-N 2.89Å; N429-R512 PolarHBondContact O-NE 3.42Å; N429-R512 PolarHBondContact O-NH1 3.14Å
430	G	91.6	Very high	91.2	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.031	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.4	177.3	0	0	0	0	0	114.7	V428 G432 R512 V517	V428-G430 PolarHBondContact O-N 3.1Å; G430-G432 VanDerWaalsContact C-N 3.35Å; G430-R512 VanDerWaalsContact C-NH1 3.27Å; G430-R512 PolarHBondContact O-NH1 3.17Å; G430-V517 VanDerWaalsContact CA-CG1 3.45Å; G430-V517 WeakPolarHBondContact O-CG1 3.24Å
431	S	91.2	Very high	91.6	Very high	2 Å²	2	42 Å²	42	1%	0.014	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.6	-170.2	-54.4	0	0	0	0	114.2	N429 T535 A537	N429-S431 PolarHBondContact O-N 3.3Å; N429-S431 WeakPolarHBondContact OD1-CA 3.34Å; N429-S431 VanDerWaalsContact OD1-CB 3.31Å; N429-S431 WeakPolarHBondContact OD1-CB 3.26Å; N429-S431 PolarHBondContact OD1-N 2.89Å; S431-T535 WeakPolarHBondContact O-CB 3.38Å; S431-T535 PolarHBondContact O-OG1 3.45Å; S431-T535 VanDerWaalsContact O-OG1 3.11Å; S431-A537 VanDerWaalsContact O-CB 3.28Å; S431-A537 WeakPolarHBondContact O-CB 3.25Å; S431-A537 PolarHBondContact O-N 2.67Å
432	G	90.3	Very high	92	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	24%	0.236	C	C	.	.			trans	79.1	166.9	-176.4	0	0	0	0	0	112.5	P417 G430 R512	P417-G432 WeakPolarHBondContact CD-O 3.42Å; G430-G432 VanDerWaalsContact C-N 3.35Å; G432-R512 VanDerWaalsContact CA-NH1 3.27Å
433	T	92.8	Very high	92.6	Very high	55 Å²	55	34.5 Å²	34.5	34%	0.337	20%	0.199	S	C	.	.	S	Bend	trans	-98.2	-64.4	178.7	-59	0	0	0	0	110.3	S377 V414 P416	S377-T433 WeakPolarHBondContact CB-O 3.31Å; S377-T433 PolarHBondContact OG-O 3.33Å; V414-T433 WeakPolarHBondContact O-CG2 3.15Å; P416-T433 HydrophobicContact CB-CG2 4.47Å
434	L	96.6	Very high	93.1	Very high	25 Å²	25	32.6 Å²	32.6	13%	0.131	18%	0.184	C	C	.	.			trans	-152.4	133.5	-175.6	170.9	67.2	0	0	0	108.5	L370 S377 L410 M411 V414 I436	L370-L434 HydrophobicContact CD1-CD1 4.27Å; S377-L434 WeakPolarHBondContact O-CA 3.46Å; S377-L434 WeakPolarHBondContact O-CD1 3.33Å; L410-L434 HydrophobicContact CB-CD2 3.7Å; M411-L434 HydrophobicContact CG-CD2 4.39Å; V414-L434 HydrophobicContact CB-CB 4.41Å; V414-L434 HydrophobicContact CB-CD2 4.31Å; V414-L434 HydrophobicContact CG1-CB 4.27Å; V414-L434 HydrophobicContact CG1-CD1 4.35Å; V414-L434 HydrophobicContact CG2-CD2 4.4Å; L434-I436 HydrophobicContact CD2-CD1 3.9Å; L434-I436 HydrophobicContact CD2-CG1 3.94Å; L434-I436 HydrophobicContact CG-CG1 4.05Å
435	T	97.7	Very high	93.7	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.025	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.5	169.3	-65.5	0	0	0	0	109.7	S377 F378 L379 P465 V466 A537	S377-T435 PolarHBondContact O-N 2.76Å; F378-T435 VanDerWaalsContact CA-O 3.32Å; F378-T435 WeakPolarHBondContact CA-O 3.43Å; F378-T435 HydrophobicContact CD2-CG2 3.65Å; F378-T435 HydrophobicContact CE2-CG2 4.01Å; L379-T435 PolarHBondContact N-O 2.82Å; T435-P465 HydrophobicContact CG2-CB 4.15Å; T435-P465 HydrophobicContact CG2-CG 4.35Å; T435-V466 HydrophobicContact CG2-CG2 3.92Å; T435-A537 WeakPolarHBondContact CB-O 3.45Å; T435-A537 PolarHBondContact OG1-O 2.76Å
436	I	98.1	Very high	94.6	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.031	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117	167.8	-64.1	170.9	0	0	0	108.1	L379 I381 V407 L410 M411 L434 F464	L379-I436 WeakPolarHBondContact O-CA 3.27Å; I381-I436 HydrophobicContact CB-CG2 4.47Å; I381-I436 HydrophobicContact CD1-CG2 4.2Å; I381-I436 HydrophobicContact CG1-CG2 4.35Å; V407-I436 HydrophobicContact CB-CD1 4.33Å; V407-I436 HydrophobicContact CG1-CD1 3.8Å; V407-I436 HydrophobicContact CG2-CD1 4.32Å; L410-I436 HydrophobicContact CB-CD1 4.48Å; M411-I436 HydrophobicContact CG-CD1 4.27Å; L434-I436 HydrophobicContact CD2-CD1 3.9Å; L434-I436 HydrophobicContact CD2-CG1 3.94Å; L434-I436 HydrophobicContact CG-CG1 4.05Å; I436-F464 HydrophobicContact CB-CD1 4.09Å; I436-F464 HydrophobicContact CB-CE1 4.3Å; I436-F464 HydrophobicContact CG2-CD1 3.89Å; I436-F464 HydrophobicContact CG2-CE1 3.81Å
437	A	98	Very high	95.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	142.8	168.1	0	0	0	0	0	110	F378 L379 H380 I381 V466	F378-A437 HydrophobicContact CE2-CB 3.84Å; F378-A437 HydrophobicContact CZ-CB 3.85Å; L379-A437 PolarHBondContact O-N 3.25Å; H380-A437 CarbonylContact C-O 3.59Å; H380-A437 WeakPolarHBondContact CA-O 3.48Å; H380-A437 HydrophobicContact CB-CB 4.04Å; H380-A437 PolarHBondContact CD2-O 2.82Å; I381-A437 PolarHBondContact N-O 2.83Å; A437-V466 CarbonylContact C-O 3.56Å; A437-V466 VanDerWaalsContact CA-O 3.31Å; A437-V466 WeakPolarHBondContact CA-O 3.05Å; A437-V466 HydrophobicContact CB-CB 3.67Å; A437-V466 HydrophobicContact CB-CG1 3.66Å
438	T	98.1	Very high	95.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	163.2	174.9	-160.2	0	0	0	0	112.1	I381 V383 F464 V466 L467 H468	I381-T438 VanDerWaalsContact O-CB 3.29Å; I381-T438 WeakPolarHBondContact O-CB 3.39Å; I381-T438 PolarHBondContact O-OG1 2.89Å; V383-T438 HydrophobicContact CG1-CG2 4.46Å; V383-T438 PolarHBondContact N-OG1 3.06Å; T438-F464 HydrophobicContact CG2-CB 4.36Å; T438-F464 HydrophobicContact CG2-CD1 4.37Å; T438-F464 HydrophobicContact CG2-CD2 3.66Å; T438-F464 HydrophobicContact CG2-CE2 3.98Å; T438-F464 HydrophobicContact CG2-CG 3.87Å; T438-F464 HydrophobicContact CG2-CZ 4.47Å; T438-V466 PolarHBondContact N-O 2.84Å; T438-L467 HydrophobicContact CG2-CD1 3.48Å; T438-L467 VanDerWaalsContact CG2-CD1 3.48Å; T438-H468 PolarHBondContact O-N 2.64Å
439	D	97.9	Very high	96.3	Very high	15 Å²	15	15.9 Å²	15.9	8%	0.08	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.4	173.2	-54.3	-100.4	0	0	0	109.9	H380 P382 V383 Q384 H468	H380-D439 IonicContact CD2-OD2 3.76Å; H380-D439 IonicContact CE1-OD2 3.02Å; H380-D439 PolarHBondContact CE1-OD2 3.31Å; H380-D439 VanDerWaalsContact CE1-OD2 3.31Å; H380-D439 IonicContact NE2-OD2 3.88Å; H380-D439 PolarHBondContact NE2-OD2 3.26Å; P382-D439 HydrophobicContact CB-CB 4.21Å; P382-D439 WeakPolarHBondContact CB-OD2 3.48Å; V383-D439 PolarHBondContact N-O 3.33Å; Q384-D439 VanDerWaalsContact CA-O 3.29Å; Q384-D439 WeakPolarHBondContact CA-O 3.5Å; Q384-D439 PolarHBondContact N-O 3.21Å; D439-H468 CarbonylContact C-O 3.48Å; D439-H468 VanDerWaalsContact CA-O 3.29Å; D439-H468 WeakPolarHBondContact CA-O 3.5Å; D439-H468 HydrophobicContact CB-CB 4.27Å; D439-H468 WeakPolarHBondContact OD1-CB 3.5Å; D439-H468 IonicContact OD1-CG 3.86Å; D439-H468 IonicContact OD1-ND1 3.81Å; D439-H468 PolarHBondContact OD1-ND1 3.3Å
440	V	98.2	Very high	96.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.7	170.1	174.8	0	0	0	0	109	V383 Q384 T455 I459 L467 H468 N470 L499	V383-V440 HydrophobicContact CG1-CG2 4.01Å; Q384-V440 WeakPolarHBondContact O-CA 3.46Å; V440-T455 HydrophobicContact CG1-CG2 3.55Å; V440-T455 HydrophobicContact CG2-CG2 4.23Å; V440-I459 HydrophobicContact CG2-CD1 4.14Å; V440-L467 HydrophobicContact CG2-CD1 3.9Å; V440-H468 PolarHBondContact N-O 3.37Å; V440-N470 PolarHBondContact O-N 3.31Å; V440-L499 HydrophobicContact CB-CD1 4.35Å; V440-L499 HydrophobicContact CG1-CD1 3.67Å
441	I	97.1	Very high	97	Very high	16 Å²	16	20 Å²	20	8%	0.082	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	105.1	174.7	-65.6	168.3	0	0	0	108.6	Y263 Q384 M394 N470 F472	Y263-I441 HydrophobicContact CD2-CD1 4.2Å; Y263-I441 HydrophobicContact CE2-CD1 3.66Å; Q384-I441 PolarHBondContact O-N 3.41Å; Q384-I441 VanDerWaalsContact OE1-CG1 3.24Å; M394-I441 HydrophobicContact CE-CB 4.17Å; M394-I441 HydrophobicContact CE-CG2 4.45Å; I441-N470 CarbonylContact C-O 3.58Å; I441-N470 WeakPolarHBondContact CA-O 3.24Å; I441-F472 HydrophobicContact CG2-CB 3.69Å; I441-F472 HydrophobicContact CG2-CD2 4.3Å
442	C	98.1	Very high	97.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	140	172.8	-61.9	0	0	0	0	111	N470 Q471 F472 R495 T496 L499	C442-N470 PolarHBondContact N-O 2.99Å; C442-Q471 CarbonylContact O-C 3.54Å; C442-F472 PolarHBondContact O-N 2.57Å; C442-R495 HydrophobicContact CB-CB 4.29Å; C442-T496 WeakPolarHBondContact CB-OG1 3.5Å; C442-L499 VanDerWaalsContact SG-CD1 3.57Å
443	G	97.4	Very high	97.8	Very high	6 Å²	6	22.8 Å²	22.8	6%	0.062	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	24.8	172.5	0	0	0	0	0	114.1	E447 F472	G443-E447 VanDerWaalsContact CA-OE2 3.31Å; G443-E447 WeakPolarHBondContact CA-OE2 3.31Å; G443-E447 PolarHBondContact N-OE2 3.07Å; G443-F472 VanDerWaalsContact O-CB 3.32Å; G443-F472 WeakPolarHBondContact O-CB 3.38Å
444	F	98.2	Very high	98.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.			trans	-53.4	142.3	167.6	-173.1	-98.5	0	0	0	109.2	Y263 V390 A393 M394 T446 E447 F472 A480 M483	Y263-F444 AromaticContact CD1-CE2 4Å; Y263-F444 HydrophobicContact CD1-CE2 4Å; V390-F444 HydrophobicContact CG1-CB 4.08Å; V390-F444 HydrophobicContact CG1-CD1 3.9Å; V390-F444 HydrophobicContact CG1-CG 4.19Å; A393-F444 HydrophobicContact CB-CE1 3.8Å; M394-F444 HydrophobicContact CB-CE2 4.44Å; M394-F444 HydrophobicContact CB-CZ 4.28Å; M394-F444 HydrophobicContact CE-CB 3.52Å; M394-F444 HydrophobicContact CE-CD1 4.25Å; M394-F444 HydrophobicContact CE-CD2 3.59Å; M394-F444 HydrophobicContact CE-CE2 4.42Å; M394-F444 HydrophobicContact CE-CG 3.49Å; M394-F444 VanDerWaalsContact CE-CG 3.49Å; M394-F444 HydrophobicContact CG-CD1 3.96Å; M394-F444 HydrophobicContact CG-CD2 3.65Å; M394-F444 HydrophobicContact CG-CE1 3.83Å; M394-F444 HydrophobicContact CG-CE2 3.51Å; M394-F444 HydrophobicContact CG-CG 3.88Å; M394-F444 HydrophobicContact CG-CZ 3.61Å; M394-F444 HydrophobicContact SD-CD2 4.43Å; F444-T446 WeakPolarHBondContact CD1-OG1 3.23Å; F444-T446 WeakPolarHBondContact CE1-OG1 3.5Å; F444-T446 PolarHBondContact O-N 3.27Å; F444-E447 HydrophobicContact CB-CB 4.41Å; F444-E447 WeakPolarHBondContact O-CB 3.41Å; F444-E447 PolarHBondContact O-N 3.41Å; F444-F472 AromaticContact CD2-CD2 3.83Å; F444-F472 HydrophobicContact CD2-CD2 3.83Å; F444-F472 AromaticContact CD2-CE2 3.98Å; F444-F472 HydrophobicContact CD2-CE2 3.98Å; F444-F472 HydrophobicContact CE2-CD2 4.4Å; F444-F472 HydrophobicContact CE2-CE2 4.09Å; F444-A480 HydrophobicContact CE2-CB 3.8Å; F444-A480 HydrophobicContact CZ-CB 4.04Å; F444-M483 HydrophobicContact CE1-SD 4.18Å; F444-M483 HydrophobicContact CZ-SD 3.95Å
445	P	98.3	Very high	98.2	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-38.3	-165.3	-31.9	37	0	0	0	115.3	F472 A480 M483 R485 K486	P445-F472 HydrophobicContact CG-CD1 4.04Å; P445-F472 HydrophobicContact CG-CE1 3.48Å; P445-F472 VanDerWaalsContact CG-CE1 3.48Å; P445-F472 HydrophobicContact CG-CE2 4.48Å; P445-F472 HydrophobicContact CG-CZ 3.74Å; P445-A480 WeakPolarHBondContact CG-O 3.47Å; P445-M483 HydrophobicContact CB-CB 3.49Å; P445-M483 VanDerWaalsContact CB-CB 3.49Å; P445-M483 HydrophobicContact CB-SD 4.45Å; P445-M483 HydrophobicContact CG-CB 3.9Å; P445-R485 HydrophobicContact CB-CG 4.26Å; P445-R485 CarbonylContact O-C 3.59Å; P445-R485 WeakPolarHBondContact O-CA 3.49Å; P445-K486 PolarHBondContact O-N 2.71Å
446	T	97.8	Very high	98.2	Very high	38 Å²	38	21.6 Å²	21.6	23%	0.233	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.7	-178	55	0	0	0	0	114.8	A393 F444 T448 K486	A393-T446 HydrophobicContact CB-CG2 4.07Å; A393-T446 VanDerWaalsContact CB-OG1 3.29Å; A393-T446 WeakPolarHBondContact CB-OG1 3.39Å; F444-T446 WeakPolarHBondContact CD1-OG1 3.23Å; F444-T446 WeakPolarHBondContact CE1-OG1 3.5Å; F444-T446 PolarHBondContact O-N 3.27Å; T446-T448 PolarHBondContact O-N 3.28Å; T446-K486 VanDerWaalsContact O-CD 3.3Å; T446-K486 WeakPolarHBondContact O-CD 3.39Å; T446-K486 WeakPolarHBondContact O-CE 3.16Å; T446-K486 PolarHBondContact O-NZ 3.02Å; T446-K486 VanDerWaalsContact O-NZ 3.13Å
447	E	98.6	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.			trans	-69	112.9	-174	-172.6	-167.8	-118.8	0	0	112.1	V390 G443 F444 D451 F452 R495	V390-E447 HydrophobicContact CG2-CB 4.09Å; V390-E447 HydrophobicContact CG2-CG 4.3Å; G443-E447 VanDerWaalsContact CA-OE2 3.31Å; G443-E447 WeakPolarHBondContact CA-OE2 3.31Å; G443-E447 PolarHBondContact N-OE2 3.07Å; F444-E447 HydrophobicContact CB-CB 4.41Å; F444-E447 WeakPolarHBondContact O-CB 3.41Å; F444-E447 PolarHBondContact O-N 3.41Å; E447-D451 HydrophobicContact CG-CB 4.1Å; E447-F452 HydrophobicContact CG-CB 4.27Å; E447-R495 PolarHBondContact O-NH1 3.27Å; E447-R495 PolarHBondContact O-NH2 3.09Å; E447-R495 WeakPolarHBondContact OE2-CD 3.39Å; E447-R495 IonicContact OE2-CZ 3.19Å; E447-R495 IonicContact OE2-NE 2.73Å; E447-R495 IonicContact OE2-NH1 2.87Å; E447-R495 PolarHBondContact OE2-NH1 3.16Å
448	T	98.3	Very high	98.3	Very high	40 Å²	40	27.8 Å²	27.8	25%	0.245	15%	0.147	C	C	.	.			trans	-82.5	174.8	170.9	70	0	0	0	0	111.6	T446 N450 D451 F452 K486	T446-T448 PolarHBondContact O-N 3.28Å; T448-N450 VanDerWaalsContact C-N 3.26Å; T448-N450 PolarHBondContact O-N 2.67Å; T448-N450 PolarHBondContact OG1-N 3.4Å; T448-D451 VanDerWaalsContact CB-OD2 3.31Å; T448-D451 WeakPolarHBondContact CB-OD2 3.27Å; T448-D451 WeakPolarHBondContact CG2-OD2 3.32Å; T448-D451 PolarHBondContact N-OD2 3.14Å; T448-D451 PolarHBondContact OG1-N 3.11Å; T448-D451 PolarHBondContact OG1-OD1 2.93Å; T448-D451 PolarHBondContact OG1-OD2 3.18Å; T448-F452 PolarHBondContact O-N 3.01Å; T448-F452 VanDerWaalsContact O-N 3.16Å; T448-K486 HydrophobicContact CG2-CD 3.54Å
449	N	97.9	Very high	98.3	Very high	94 Å²	94	27.8 Å²	27.8	50%	0.503	15%	0.147	S	C	.	.	H	α-helix	trans	-66.2	-28.3	170.6	-83.4	-7.4	0	0	0	112.9	N453 R495	N449-N453 PolarHBondContact O-N 2.91Å; N449-N453 PolarHBondContact O-ND2 3.17Å; N449-R495 PolarHBondContact OD1-NH2 3.27Å
450	N	98.5	Very high	98.3	Very high	101 Å²	101	31.9 Å²	31.9	54%	0.54	17%	0.166	S	C	.	.	H	α-helix	trans	-68.3	-50.1	176.8	-162.2	74	0	0	0	110.5	T448 F452 N453 E454	T448-N450 VanDerWaalsContact C-N 3.26Å; T448-N450 PolarHBondContact O-N 2.67Å; T448-N450 PolarHBondContact OG1-N 3.4Å; N450-F452 PolarHBondContact O-N 3.08Å; N450-N453 WeakPolarHBondContact O-CA 3.43Å; N450-N453 WeakPolarHBondContact O-CB 3.2Å; N450-N453 PolarHBondContact O-N 3Å; N450-E454 PolarHBondContact ND2-OE1 3.17Å; N450-E454 PolarHBondContact O-N 3.43Å
451	D	98.7	Very high	98.3	Very high	16 Å²	16	37.8 Å²	37.8	9%	0.086	19%	0.191	C	C	.	.	H	α-helix	trans	-58	-38.7	178.1	-48.3	-34.7	0	0	0	111.8	S387 V390 E447 T448 E454 T455	S387-D451 PolarHBondContact OG-OD1 3.02Å; V390-D451 HydrophobicContact CG2-CB 3.58Å; E447-D451 HydrophobicContact CG-CB 4.1Å; T448-D451 VanDerWaalsContact CB-OD2 3.31Å; T448-D451 WeakPolarHBondContact CB-OD2 3.27Å; T448-D451 WeakPolarHBondContact CG2-OD2 3.32Å; T448-D451 PolarHBondContact N-OD2 3.14Å; T448-D451 PolarHBondContact OG1-N 3.11Å; T448-D451 PolarHBondContact OG1-OD1 2.93Å; T448-D451 PolarHBondContact OG1-OD2 3.18Å; D451-E454 PolarHBondContact O-N 2.9Å; D451-T455 PolarHBondContact O-N 2.68Å; D451-T455 VanDerWaalsContact O-N 3.14Å; D451-T455 PolarHBondContact O-OG1 3.23Å
452	F	98.7	Very high	98.3	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.022	19%	0.191	C	C	.	.	H	α-helix	trans	-68.3	-36.2	174.7	177	-107.8	0	0	0	112.6	E447 T448 N450 T455 V456 R495 R498 L499	E447-F452 HydrophobicContact CG-CB 4.27Å; T448-F452 PolarHBondContact O-N 3.01Å; T448-F452 VanDerWaalsContact O-N 3.16Å; N450-F452 PolarHBondContact O-N 3.08Å; F452-T455 WeakPolarHBondContact O-CB 3.36Å; F452-T455 PolarHBondContact O-N 3.47Å; F452-V456 HydrophobicContact CD1-CG2 4.38Å; F452-V456 HydrophobicContact CE1-CG2 3.88Å; F452-V456 HydrophobicContact CE2-CG2 4.31Å; F452-V456 HydrophobicContact CZ-CG2 3.81Å; F452-V456 WeakPolarHBondContact O-CG2 3.26Å; F452-V456 PolarHBondContact O-N 2.59Å; F452-R495 HydrophobicContact CD1-CB 4.32Å; F452-R495 HydrophobicContact CD1-CG 3.67Å; F452-R495 HydrophobicContact CD2-CB 3.87Å; F452-R495 HydrophobicContact CD2-CG 3.83Å; F452-R495 HydrophobicContact CE1-CB 3.93Å; F452-R495 HydrophobicContact CE1-CG 3.67Å; F452-R495 HydrophobicContact CE2-CB 3.49Å; F452-R495 VanDerWaalsContact CE2-CB 3.49Å; F452-R495 HydrophobicContact CE2-CG 3.89Å; F452-R495 HydrophobicContact CG-CB 4.28Å; F452-R495 HydrophobicContact CG-CG 3.73Å; F452-R495 VanDerWaalsContact CZ-CA 3.43Å; F452-R495 HydrophobicContact CZ-CB 3.53Å; F452-R495 HydrophobicContact CZ-CG 3.82Å; F452-R495 VanDerWaalsContact CZ-O 3.25Å; F452-R495 WeakPolarHBondContact CZ-O 3.16Å; F452-R498 HydrophobicContact CZ-CB 4.29Å; F452-L499 HydrophobicContact CE2-CD1 3.94Å; F452-L499 HydrophobicContact CE2-CD2 4.43Å; F452-L499 HydrophobicContact CE2-CG 3.84Å; F452-L499 HydrophobicContact CZ-CG 4.02Å
453	N	98.7	Very high	98.2	Very high	56 Å²	56	42.6 Å²	42.6	30%	0.299	21%	0.212	S	C	.	.	H	α-helix	trans	-66	-40	174.3	-72.7	-26.4	0	0	0	111.7	N449 N450 T455 V456 E457 R498	N449-N453 PolarHBondContact O-N 2.91Å; N449-N453 PolarHBondContact O-ND2 3.17Å; N450-N453 WeakPolarHBondContact O-CA 3.43Å; N450-N453 WeakPolarHBondContact O-CB 3.2Å; N450-N453 PolarHBondContact O-N 3Å; N453-T455 PolarHBondContact O-N 3.22Å; N453-V456 WeakPolarHBondContact O-CA 3.19Å; N453-V456 WeakPolarHBondContact O-CB 3.37Å; N453-V456 PolarHBondContact O-N 3.11Å; N453-E457 WeakPolarHBondContact O-CG 3.4Å; N453-E457 PolarHBondContact O-N 2.88Å; N453-R498 PolarHBondContact OD1-NH1 3.28Å
454	E	98.7	Very high	98.2	Very high	58 Å²	58	42.5 Å²	42.5	27%	0.271	21%	0.21	S	C	.	.	H	α-helix	trans	-58.4	-38.3	172.8	-65.4	164.6	-148.2	0	0	111	G386 S387 N450 D451 E457 L458	G386-E454 WeakPolarHBondContact O-CB 3.25Å; S387-E454 WeakPolarHBondContact CA-OE2 2.93Å; S387-E454 WeakPolarHBondContact CB-OE2 3.31Å; S387-E454 PolarHBondContact OG-OE2 3.4Å; N450-E454 PolarHBondContact ND2-OE1 3.17Å; N450-E454 PolarHBondContact O-N 3.43Å; D451-E454 PolarHBondContact O-N 2.9Å; E454-E457 PolarHBondContact O-N 3.02Å; E454-L458 PolarHBondContact O-N 2.95Å
455	T	98.7	Very high	98	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-41.3	172.4	-53.9	0	0	0	0	112.4	G386 V440 D451 F452 N453 L458 I459 L499	G386-T455 PolarHBondContact N-OG1 3.28Å; V440-T455 HydrophobicContact CG1-CG2 3.55Å; V440-T455 HydrophobicContact CG2-CG2 4.23Å; D451-T455 PolarHBondContact O-N 2.68Å; D451-T455 VanDerWaalsContact O-N 3.14Å; D451-T455 PolarHBondContact O-OG1 3.23Å; F452-T455 WeakPolarHBondContact O-CB 3.36Å; F452-T455 PolarHBondContact O-N 3.47Å; N453-T455 PolarHBondContact O-N 3.22Å; T455-L458 PolarHBondContact O-N 3.16Å; T455-I459 WeakPolarHBondContact O-CG1 3.5Å; T455-I459 PolarHBondContact O-N 3.29Å; T455-L499 HydrophobicContact CG2-CD1 4.42Å
456	V	98.7	Very high	97.9	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-47.2	175.8	169.9	0	0	0	0	110.9	F452 N453 L458 I459 E460 L499 L502	F452-V456 HydrophobicContact CD1-CG2 4.38Å; F452-V456 HydrophobicContact CE1-CG2 3.88Å; F452-V456 HydrophobicContact CE2-CG2 4.31Å; F452-V456 HydrophobicContact CZ-CG2 3.81Å; F452-V456 WeakPolarHBondContact O-CG2 3.26Å; F452-V456 PolarHBondContact O-N 2.59Å; N453-V456 WeakPolarHBondContact O-CA 3.19Å; N453-V456 WeakPolarHBondContact O-CB 3.37Å; N453-V456 PolarHBondContact O-N 3.11Å; V456-L458 VanDerWaalsContact C-N 3.29Å; V456-L458 PolarHBondContact O-N 3.34Å; V456-I459 PolarHBondContact O-N 3.44Å; V456-I459 VanDerWaalsContact O-N 3.12Å; V456-E460 HydrophobicContact CG1-CG 4.41Å; V456-E460 WeakPolarHBondContact O-CG 3.12Å; V456-E460 PolarHBondContact O-N 2.87Å; V456-L499 HydrophobicContact CG2-CD2 3.8Å; V456-L502 HydrophobicContact CG1-CD2 4.05Å
457	E	98.6	Very high	97.9	Very high	123 Å²	123	44.5 Å²	44.5	58%	0.575	22%	0.222	S	C	*	.	H	α-helix	trans	-58.7	-39.9	178.5	-71.6	172.3	-166.3	0	0	111.9	N453 E454 I459 E460 K461	N453-E457 WeakPolarHBondContact O-CG 3.4Å; N453-E457 PolarHBondContact O-N 2.88Å; E454-E457 PolarHBondContact O-N 3.02Å; E457-I459 PolarHBondContact O-N 3Å; E457-E460 PolarHBondContact O-N 3.26Å; E457-K461 WeakPolarHBondContact O-CB 3.4Å; E457-K461 PolarHBondContact O-N 3.07Å
458	L	98.6	Very high	97.8	Very high	12 Å²	12	47.9 Å²	47.9	6%	0.063	24%	0.238	C	C	.	.	H	α-helix	trans	-60	-46.4	174.4	-179.8	71.9	0	0	0	112.4	V383 M400 F403 E454 T455 V456 E460 K461 Y462	V383-L458 HydrophobicContact CB-CD2 4.3Å; V383-L458 HydrophobicContact CG1-CD2 3.85Å; V383-L458 HydrophobicContact CG2-CD2 3.75Å; M400-L458 HydrophobicContact CE-CD1 3.37Å; M400-L458 HydrophobicContact CE-CD2 3.56Å; M400-L458 HydrophobicContact CE-CG 3.97Å; F403-L458 HydrophobicContact CD1-CD1 4.32Å; F403-L458 HydrophobicContact CE1-CD1 4.14Å; F403-L458 HydrophobicContact CE1-CD2 4.16Å; E454-L458 PolarHBondContact O-N 2.95Å; T455-L458 PolarHBondContact O-N 3.16Å; V456-L458 VanDerWaalsContact C-N 3.29Å; V456-L458 PolarHBondContact O-N 3.34Å; L458-E460 VanDerWaalsContact C-N 3.33Å; L458-K461 PolarHBondContact O-N 2.67Å; L458-Y462 HydrophobicContact CD1-CD2 3.58Å; L458-Y462 HydrophobicContact CD1-CE2 3.52Å; L458-Y462 HydrophobicContact CG-CD2 4.23Å; L458-Y462 PolarHBondContact O-N 3.4Å; L458-Y462 VanDerWaalsContact O-N 3.16Å
459	I	98.5	Very high	97.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.7	-36.2	-179.7	-60.5	-52	0	0	0	110.7	V440 T455 V456 E457 Q463 F464 L467 L499 L502 Y506	V440-I459 HydrophobicContact CG2-CD1 4.14Å; T455-I459 WeakPolarHBondContact O-CG1 3.5Å; T455-I459 PolarHBondContact O-N 3.29Å; V456-I459 PolarHBondContact O-N 3.44Å; V456-I459 VanDerWaalsContact O-N 3.12Å; E457-I459 PolarHBondContact O-N 3Å; I459-Q463 WeakPolarHBondContact O-CA 3.37Å; I459-Q463 PolarHBondContact O-N 2.73Å; I459-F464 HydrophobicContact CD1-CD2 3.73Å; I459-F464 HydrophobicContact CD1-CE2 3.91Å; I459-L467 HydrophobicContact CD1-CD1 3.66Å; I459-L467 HydrophobicContact CD1-CD2 4Å; I459-L467 HydrophobicContact CG1-CD2 4.13Å; I459-L467 HydrophobicContact CG2-CD2 3.64Å; I459-L499 HydrophobicContact CG1-CD2 4.31Å; I459-L502 HydrophobicContact CB-CD2 3.84Å; I459-L502 HydrophobicContact CG2-CD2 3.66Å; I459-L502 HydrophobicContact CG2-CG 4.13Å; I459-Y506 HydrophobicContact CG2-CE1 4.15Å
460	E	97.9	Very high	97.6	Very high	102 Å²	102	44 Å²	44	48%	0.477	22%	0.215	S	C	.	.	H	α-helix	trans	-64	-40.4	173.1	-74.8	176.1	173	0	0	112.1	V456 E457 L458 Q463 L502	V456-E460 HydrophobicContact CG1-CG 4.41Å; V456-E460 WeakPolarHBondContact O-CG 3.12Å; V456-E460 PolarHBondContact O-N 2.87Å; E457-E460 PolarHBondContact O-N 3.26Å; L458-E460 VanDerWaalsContact C-N 3.33Å; E460-Q463 WeakPolarHBondContact O-CG 3.37Å; E460-L502 HydrophobicContact CG-CD1 3.64Å; E460-L502 HydrophobicContact CG-CD2 3.8Å; E460-L502 HydrophobicContact CG-CG 4.38Å
461	K	97.9	Very high	97.4	Very high	124 Å²	124	42.1 Å²	42.1	54%	0.539	20%	0.204	S	C	.	.	H	α-helix	trans	-61.7	-49.1	177.8	179.5	-174.2	175.9	-166.5	0	112.2	D408 E457 L458	D408-K461 IonicContact OD2-NZ 2.95Å; E457-K461 WeakPolarHBondContact O-CB 3.4Å; E457-K461 PolarHBondContact O-N 3.07Å; L458-K461 PolarHBondContact O-N 2.67Å
462	Y	97.5	Very high	97.2	Very high	22 Å²	22	42.1 Å²	42.1	9%	0.086	20%	0.203	C	C	.	.	H	α-helix	trans	-98.2	-22.4	-169.2	-73.3	-61.8	0	0	0	115	F403 S404 V407 D408 M411 L458 F464	F403-Y462 HydrophobicContact CE1-CE2 4.48Å; S404-Y462 WeakPolarHBondContact CA-OH 3.33Å; S404-Y462 VanDerWaalsContact CB-OH 3.26Å; S404-Y462 WeakPolarHBondContact CB-OH 3.41Å; S404-Y462 PolarHBondContact O-OH 2.85Å; V407-Y462 HydrophobicContact CB-CE1 4.02Å; V407-Y462 HydrophobicContact CG1-CD1 3.45Å; V407-Y462 VanDerWaalsContact CG1-CD1 3.45Å; V407-Y462 HydrophobicContact CG1-CE1 3.29Å; V407-Y462 HydrophobicContact CG1-CE2 4.39Å; V407-Y462 HydrophobicContact CG1-CG 4.09Å; D408-Y462 VanDerWaalsContact CG-OH 3.31Å; D408-Y462 WeakPolarHBondContact OD1-CE1 3.41Å; D408-Y462 VanDerWaalsContact OD1-CZ 3.31Å; D408-Y462 PolarHBondContact OD1-OH 3Å; D408-Y462 PolarHBondContact OD2-OH 3.31Å; M411-Y462 HydrophobicContact SD-CD1 4.04Å; M411-Y462 HydrophobicContact SD-CE1 4.33Å; L458-Y462 HydrophobicContact CD1-CD2 3.58Å; L458-Y462 HydrophobicContact CD1-CE2 3.52Å; L458-Y462 HydrophobicContact CG-CD2 4.23Å; L458-Y462 PolarHBondContact O-N 3.4Å; L458-Y462 VanDerWaalsContact O-N 3.16Å; Y462-F464 VanDerWaalsContact C-N 3.28Å; Y462-F464 HydrophobicContact CD2-CE2 4.05Å; Y462-F464 AromaticContact CD2-CZ 3.64Å; Y462-F464 HydrophobicContact CD2-CZ 3.64Å; Y462-F464 HydrophobicContact CG-CE1 4.14Å; Y462-F464 HydrophobicContact CG-CE2 4.13Å; Y462-F464 AromaticContact CG-CZ 3.65Å; Y462-F464 HydrophobicContact CG-CZ 3.65Å; Y462-F464 PolarHBondContact O-N 3.34Å
463	Q	96.7	Very high	96.7	Very high	94 Å²	94	45.9 Å²	45.9	44%	0.439	22%	0.219	S	C	.	.			trans	46.8	49.7	-179.9	-61.3	-170.3	-28.9	0	0	113.1	I459 E460 Y506	I459-Q463 WeakPolarHBondContact O-CA 3.37Å; I459-Q463 PolarHBondContact O-N 2.73Å; E460-Q463 WeakPolarHBondContact O-CG 3.37Å; Q463-Y506 HydrophobicContact CB-CD1 4.33Å; Q463-Y506 HydrophobicContact CB-CD2 3.73Å; Q463-Y506 HydrophobicContact CB-CE1 4.36Å; Q463-Y506 HydrophobicContact CB-CE2 3.79Å; Q463-Y506 HydrophobicContact CB-CG 3.99Å; Q463-Y506 HydrophobicContact CG-CD1 4.15Å; Q463-Y506 HydrophobicContact CG-CD2 4.3Å; Q463-Y506 HydrophobicContact CG-CE1 4.44Å; Q463-Y506 HydrophobicContact CG-CG 4.04Å; Q463-Y506 VanDerWaalsContact O-CE2 3.27Å; Q463-Y506 WeakPolarHBondContact O-CE2 3.23Å
464	F	97.1	Very high	96.3	Very high	5 Å²	5	45.7 Å²	45.7	2%	0.022	22%	0.221	C	C	.	.			trans	-50.5	128.7	-174.6	-64.5	-72.7	0	0	0	112.7	F403 V407 I436 T438 I459 Y462 V466 F503 Y506	F403-F464 AromaticContact CE1-CZ 3.95Å; F403-F464 HydrophobicContact CE1-CZ 3.95Å; F403-F464 HydrophobicContact CZ-CE1 4.42Å; F403-F464 AromaticContact CZ-CZ 3.83Å; F403-F464 HydrophobicContact CZ-CZ 3.83Å; V407-F464 HydrophobicContact CG1-CE1 4.26Å; V407-F464 HydrophobicContact CG2-CE1 4.37Å; I436-F464 HydrophobicContact CB-CD1 4.09Å; I436-F464 HydrophobicContact CB-CE1 4.3Å; I436-F464 HydrophobicContact CG2-CD1 3.89Å; I436-F464 HydrophobicContact CG2-CE1 3.81Å; T438-F464 HydrophobicContact CG2-CB 4.36Å; T438-F464 HydrophobicContact CG2-CD1 4.37Å; T438-F464 HydrophobicContact CG2-CD2 3.66Å; T438-F464 HydrophobicContact CG2-CE2 3.98Å; T438-F464 HydrophobicContact CG2-CG 3.87Å; T438-F464 HydrophobicContact CG2-CZ 4.47Å; I459-F464 HydrophobicContact CD1-CD2 3.73Å; I459-F464 HydrophobicContact CD1-CE2 3.91Å; Y462-F464 VanDerWaalsContact C-N 3.28Å; Y462-F464 HydrophobicContact CD2-CE2 4.05Å; Y462-F464 AromaticContact CD2-CZ 3.64Å; Y462-F464 HydrophobicContact CD2-CZ 3.64Å; Y462-F464 HydrophobicContact CG-CE1 4.14Å; Y462-F464 HydrophobicContact CG-CE2 4.13Å; Y462-F464 AromaticContact CG-CZ 3.65Å; Y462-F464 HydrophobicContact CG-CZ 3.65Å; Y462-F464 PolarHBondContact O-N 3.34Å; F464-V466 PolarHBondContact O-N 3.31Å; F464-F503 WeakPolarHBondContact O-CE2 3.15Å; F464-Y506 PolarHBondContact N-OH 2.91Å; F464-Y506 WeakPolarHBondContact O-CE2 3.31Å; F464-Y506 PolarHBondContact O-OH 2.79Å
465	P	93.9	Very high	95.9	Very high	27 Å²	27	44.1 Å²	44.1	18%	0.175	21%	0.213	C	C	.	.	S	Bend	trans	-62.9	-29.7	178.7	-20.1	29.8	0	0	0	113.4	T435 T508	T435-P465 HydrophobicContact CG2-CB 4.15Å; T435-P465 HydrophobicContact CG2-CG 4.35Å; P465-T508 HydrophobicContact CB-CG2 4.01Å; P465-T508 HydrophobicContact CG-CG2 4.03Å
466	V	96.6	Very high	95.3	Very high	43 Å²	43	47.4 Å²	47.4	26%	0.261	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	108.7	178.4	-179.6	0	0	0	0	109.2	T435 A437 T438 F464	T435-V466 HydrophobicContact CG2-CG2 3.92Å; A437-V466 CarbonylContact C-O 3.56Å; A437-V466 VanDerWaalsContact CA-O 3.31Å; A437-V466 WeakPolarHBondContact CA-O 3.05Å; A437-V466 HydrophobicContact CB-CB 3.67Å; A437-V466 HydrophobicContact CB-CG1 3.66Å; T438-V466 PolarHBondContact N-O 2.84Å; F464-V466 PolarHBondContact O-N 3.31Å
467	L	97.5	Very high	94.7	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.052	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	109.1	-179.5	-178.8	61.1	0	0	0	110.9	T438 V440 I459 I469 F503	T438-L467 HydrophobicContact CG2-CD1 3.48Å; T438-L467 VanDerWaalsContact CG2-CD1 3.48Å; V440-L467 HydrophobicContact CG2-CD1 3.9Å; I459-L467 HydrophobicContact CD1-CD1 3.66Å; I459-L467 HydrophobicContact CD1-CD2 4Å; I459-L467 HydrophobicContact CG1-CD2 4.13Å; I459-L467 HydrophobicContact CG2-CD2 3.64Å; L467-I469 HydrophobicContact CD2-CD1 4.09Å; L467-I469 HydrophobicContact CD2-CG1 4.04Å; L467-I469 HydrophobicContact CG-CD1 4.34Å; L467-I469 HydrophobicContact CG-CG1 3.84Å; L467-I469 PolarHBondContact O-N 3.49Å; L467-F503 HydrophobicContact CB-CD1 4.37Å; L467-F503 HydrophobicContact CB-CD2 3.93Å; L467-F503 HydrophobicContact CB-CE1 4.31Å; L467-F503 HydrophobicContact CB-CE2 3.89Å; L467-F503 HydrophobicContact CB-CG 4.19Å; L467-F503 HydrophobicContact CB-CZ 4.1Å; L467-F503 HydrophobicContact CD2-CB 4.18Å; L467-F503 HydrophobicContact CD2-CD2 4.3Å; L467-F503 HydrophobicContact CD2-CG 4.26Å
468	H	96.1	Very high	94.5	Very high	72 Å²	72	44.5 Å²	44.5	33%	0.333	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	100.5	175.5	-57.3	138.5	0	0	0	110.6	H380 T438 D439 V440 N470	H380-H468 AromaticContact CE1-ND1 3.89Å; H380-H468 AromaticContact NE2-ND1 3.87Å; T438-H468 PolarHBondContact O-N 2.64Å; D439-H468 CarbonylContact C-O 3.48Å; D439-H468 VanDerWaalsContact CA-O 3.29Å; D439-H468 WeakPolarHBondContact CA-O 3.5Å; D439-H468 HydrophobicContact CB-CB 4.27Å; D439-H468 WeakPolarHBondContact OD1-CB 3.5Å; D439-H468 IonicContact OD1-CG 3.86Å; D439-H468 IonicContact OD1-ND1 3.81Å; D439-H468 PolarHBondContact OD1-ND1 3.3Å; V440-H468 PolarHBondContact N-O 3.37Å; H468-N470 PolarHBondContact O-ND2 3.39Å
469	I	97.2	Very high	94.3	Very high	17 Å²	17	47.6 Å²	47.6	9%	0.087	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118.3	178.7	-53.4	163.7	0	0	0	108.3	L467 T496 L499 H500 F503	L467-I469 HydrophobicContact CD2-CD1 4.09Å; L467-I469 HydrophobicContact CD2-CG1 4.04Å; L467-I469 HydrophobicContact CG-CD1 4.34Å; L467-I469 HydrophobicContact CG-CG1 3.84Å; L467-I469 PolarHBondContact O-N 3.49Å; I469-T496 HydrophobicContact CG2-CG2 3.93Å; I469-L499 VanDerWaalsContact CD1-C 3.42Å; I469-L499 HydrophobicContact CD1-CB 3.64Å; I469-L499 WeakPolarHBondContact CD1-O 3.18Å; I469-L499 HydrophobicContact CG1-CB 4.19Å; I469-L499 HydrophobicContact CG2-CB 4.11Å; I469-L499 HydrophobicContact CG2-CD1 4.2Å; I469-H500 HydrophobicContact CD1-CB 4.41Å; I469-F503 HydrophobicContact CD1-CB 4.33Å
470	N	93.9	Very high	94.2	Very high	34 Å²	34	47.6 Å²	47.6	18%	0.182	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.8	177.5	-54.9	-76.2	0	0	0	110.2	K144 V440 I441 C442 H468	K144-N470 VanDerWaalsContact CE-OD1 3.32Å; K144-N470 WeakPolarHBondContact CE-OD1 3.42Å; K144-N470 PolarHBondContact NZ-OD1 2.83Å; V440-N470 PolarHBondContact O-N 3.31Å; I441-N470 CarbonylContact C-O 3.58Å; I441-N470 WeakPolarHBondContact CA-O 3.24Å; C442-N470 PolarHBondContact N-O 2.99Å; H468-N470 PolarHBondContact O-ND2 3.39Å
471	Q	94.6	Very high	94.1	Very high	63 Å²	63	44 Å²	44	29%	0.294	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	151.1	167	-67.7	178	18.2	0	0	110	C442 F473 V492 T496	C442-Q471 CarbonylContact O-C 3.54Å; Q471-F473 HydrophobicContact CB-CE2 3.98Å; Q471-F473 HydrophobicContact CB-CZ 4.06Å; Q471-F473 WeakPolarHBondContact O-CD2 3.25Å; Q471-F473 VanDerWaalsContact O-CE2 3.27Å; Q471-F473 WeakPolarHBondContact O-CE2 3.29Å; Q471-F473 PolarHBondContact O-N 3.27Å; Q471-V492 HydrophobicContact CB-CG1 4.11Å; Q471-V492 HydrophobicContact CG-CG1 3.82Å; Q471-T496 HydrophobicContact CG-CG2 4.33Å; Q471-T496 VanDerWaalsContact CG-OG1 3.24Å; Q471-T496 WeakPolarHBondContact CG-OG1 3.46Å
472	F	94.7	Very high	93.9	Very high	15 Å²	15	44.7 Å²	44.7	7%	0.066	26%	0.255	C	S	.	.			trans	-68	117.8	169.7	176.5	-105.2	0	0	0	110.2	I441 C442 G443 F444 P445 P474 A480	I441-F472 HydrophobicContact CG2-CB 3.69Å; I441-F472 HydrophobicContact CG2-CD2 4.3Å; C442-F472 PolarHBondContact O-N 2.57Å; G443-F472 VanDerWaalsContact O-CB 3.32Å; G443-F472 WeakPolarHBondContact O-CB 3.38Å; F444-F472 AromaticContact CD2-CD2 3.83Å; F444-F472 HydrophobicContact CD2-CD2 3.83Å; F444-F472 AromaticContact CD2-CE2 3.98Å; F444-F472 HydrophobicContact CD2-CE2 3.98Å; F444-F472 HydrophobicContact CE2-CD2 4.4Å; F444-F472 HydrophobicContact CE2-CE2 4.09Å; P445-F472 HydrophobicContact CG-CD1 4.04Å; P445-F472 HydrophobicContact CG-CE1 3.48Å; P445-F472 VanDerWaalsContact CG-CE1 3.48Å; P445-F472 HydrophobicContact CG-CE2 4.48Å; P445-F472 HydrophobicContact CG-CZ 3.74Å; F472-P474 HydrophobicContact CE1-CB 4.15Å; F472-P474 HydrophobicContact CZ-CB 4.48Å; F472-A480 HydrophobicContact CE2-CB 3.92Å; F472-A480 HydrophobicContact CZ-CB 3.76Å
473	F	88.1	Confident	93.9	Very high	84 Å²	84	45.9 Å²	45.9	37%	0.368	26%	0.262	S	S	.	.			trans	-105.9	120.9	170.6	-63.4	-82.2	0	0	0	108.9	Q471 R475	Q471-F473 HydrophobicContact CB-CE2 3.98Å; Q471-F473 HydrophobicContact CB-CZ 4.06Å; Q471-F473 WeakPolarHBondContact O-CD2 3.25Å; Q471-F473 VanDerWaalsContact O-CE2 3.27Å; Q471-F473 WeakPolarHBondContact O-CE2 3.29Å; Q471-F473 PolarHBondContact O-N 3.27Å; F473-R475 WeakPolarHBondContact O-CG 3.11Å; F473-R475 PolarHBondContact O-N 3.2Å
474	P	91	Very high	93.8	Very high	53 Å²	53	47 Å²	47	34%	0.344	28%	0.277	S	S	.	.			trans	-65.4	129.6	177.6	32.5	-36.4	0	0	0	108.7	F472 A481	F472-P474 HydrophobicContact CE1-CB 4.15Å; F472-P474 HydrophobicContact CZ-CB 4.48Å; P474-A481 HydrophobicContact CB-CB 4.02Å
475	R	89.3	Confident	93.8	Very high	25 Å²	25	52.7 Å²	52.7	9%	0.094	30%	0.299	C	S	.	.			trans	-107.8	118.3	-179.8	-56.5	-60.2	-71	150.1	4.4	108.7	T142 E148 K265 F473 G477 T478 A481	T142-R475 PolarHBondContact O-NE 2.92Å; T142-R475 PolarHBondContact O-NH2 3.29Å; T142-R475 VanDerWaalsContact O-NH2 3.08Å; T142-R475 PolarHBondContact OG1-NH2 2.9Å; E148-R475 IonicContact OE2-CZ 3.77Å; E148-R475 IonicContact OE2-NH1 2.81Å; E148-R475 PolarHBondContact OE2-NH1 3.17Å; E148-R475 IonicContact OE2-NH2 3.83Å; E148-R475 PolarHBondContact OE2-NH2 3.29Å; K265-R475 HydrophobicContact CB-CB 4.42Å; K265-R475 HydrophobicContact CB-CG 4.47Å; K265-R475 HydrophobicContact CD-CB 4.46Å; F473-R475 WeakPolarHBondContact O-CG 3.11Å; F473-R475 PolarHBondContact O-N 3.2Å; R475-G477 PolarHBondContact O-N 2.88Å; R475-T478 HydrophobicContact CB-CG2 3.8Å; R475-T478 WeakPolarHBondContact O-CG2 3.17Å; R475-T478 PolarHBondContact O-N 3.24Å; R475-T478 VanDerWaalsContact O-N 3.08Å; R475-T478 PolarHBondContact O-OG1 2.77Å; R475-A481 VanDerWaalsContact O-CB 3.22Å; R475-A481 WeakPolarHBondContact O-CB 3.09Å
476	P	86.2	Confident	93.9	Very high	69 Å²	69	57.4 Å²	57.4	45%	0.448	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	134.1	-178.6	-29	35.2	0	0	0	112.6	K265	K265-P476 PolarHBondContact NZ-O 3.11Å
477	G	87.2	Confident	93.8	Very high	60 Å²	60	55.7 Å²	55.7	62%	0.619	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	10.7	-178.3	0	0	0	0	0	115.2	Q268 R475	Q268-G477 PolarHBondContact NE2-O 3.09Å; R475-G477 PolarHBondContact O-N 2.88Å
478	T	93	Very high	93.6	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.018	33%	0.326	C	S	.	.	S	Bend	trans	-101.2	148.3	168.1	74.7	0	0	0	0	110.8	T262 K265 R475 A480 A481	T262-T478 VanDerWaalsContact O-CB 3.29Å; T262-T478 WeakPolarHBondContact O-CB 3.43Å; T262-T478 PolarHBondContact O-OG1 3.44Å; K265-T478 HydrophobicContact CD-CG2 4.24Å; R475-T478 HydrophobicContact CB-CG2 3.8Å; R475-T478 WeakPolarHBondContact O-CG2 3.17Å; R475-T478 PolarHBondContact O-N 3.24Å; R475-T478 VanDerWaalsContact O-N 3.08Å; R475-T478 PolarHBondContact O-OG1 2.77Å; T478-A480 VanDerWaalsContact C-N 3.28Å; T478-A480 PolarHBondContact O-N 3.12Å; T478-A481 WeakPolarHBondContact O-CB 3.02Å; T478-A481 PolarHBondContact O-N 3.05Å; T478-A481 VanDerWaalsContact O-N 3.13Å; T478-A481 PolarHBondContact OG1-N 3.07Å
479	P	96	Very high	93.5	Very high	78 Å²	78	59.8 Å²	59.8	51%	0.506	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-54.4	-42	176.8	-27.8	33.6	0	0	0	113.5	T262 A481 N482	T262-P479 HydrophobicContact CG2-CB 4.31Å; T262-P479 VanDerWaalsContact O-CD 3.26Å; T262-P479 WeakPolarHBondContact O-CD 3.48Å; P479-A481 PolarHBondContact O-N 2.78Å; P479-N482 PolarHBondContact O-N 3.3Å; P479-N482 VanDerWaalsContact O-N 3.17Å
480	A	96.4	Very high	93.5	Very high	0 Å²	0	63 Å²	63	0%	0	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-65.4	-23.7	-179.1	0	0	0	0	0	113.7	T262 F444 P445 F472 T478 N482 M483	T262-A480 VanDerWaalsContact O-CB 3.27Å; T262-A480 WeakPolarHBondContact O-CB 3.46Å; T262-A480 PolarHBondContact O-N 3.19Å; F444-A480 HydrophobicContact CE2-CB 3.8Å; F444-A480 HydrophobicContact CZ-CB 4.04Å; P445-A480 WeakPolarHBondContact CG-O 3.47Å; F472-A480 HydrophobicContact CE2-CB 3.92Å; F472-A480 HydrophobicContact CZ-CB 3.76Å; T478-A480 VanDerWaalsContact C-N 3.28Å; T478-A480 PolarHBondContact O-N 3.12Å; A480-N482 PolarHBondContact O-N 3.5Å; A480-M483 HydrophobicContact CB-CE 4.48Å; A480-M483 HydrophobicContact CB-SD 4.15Å; A480-M483 PolarHBondContact O-N 3.5Å
481	A	94.6	Very high	93.6	Very high	27 Å²	27	64.7 Å²	64.7	22%	0.223	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-66.7	-26.4	177	0	0	0	0	0	112.9	P474 R475 T478 P479	P474-A481 HydrophobicContact CB-CB 4.02Å; R475-A481 VanDerWaalsContact O-CB 3.22Å; R475-A481 WeakPolarHBondContact O-CB 3.09Å; T478-A481 WeakPolarHBondContact O-CB 3.02Å; T478-A481 PolarHBondContact O-N 3.05Å; T478-A481 VanDerWaalsContact O-N 3.13Å; T478-A481 PolarHBondContact OG1-N 3.07Å; P479-A481 PolarHBondContact O-N 2.78Å
482	N	95.2	Very high	93.7	Very high	138 Å²	138	62.5 Å²	62.5	74%	0.738	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-100.3	0.4	-178.7	-60.8	-36.4	0	0	0	113	P479 A480	P479-N482 PolarHBondContact O-N 3.3Å; P479-N482 VanDerWaalsContact O-N 3.17Å; A480-N482 PolarHBondContact O-N 3.5Å
483	M	96.9	Very high	93.8	Very high	47 Å²	47	66.9 Å²	66.9	23%	0.232	38%	0.378	C	S	.	.	S	Bend	trans	-72.6	137.2	177.9	-71.4	177.1	-176.7	0	0	110.5	T262 F444 P445 A480 R485	T262-M483 HydrophobicContact CG2-CE 3.93Å; F444-M483 HydrophobicContact CE1-SD 4.18Å; F444-M483 HydrophobicContact CZ-SD 3.95Å; P445-M483 HydrophobicContact CB-CB 3.49Å; P445-M483 VanDerWaalsContact CB-CB 3.49Å; P445-M483 HydrophobicContact CB-SD 4.45Å; P445-M483 HydrophobicContact CG-CB 3.9Å; A480-M483 HydrophobicContact CB-CE 4.48Å; A480-M483 HydrophobicContact CB-SD 4.15Å; A480-M483 PolarHBondContact O-N 3.5Å; M483-R485 PolarHBondContact O-N 3.21Å
484	P	95	Very high	94.3	Very high	117 Å²	117	66.5 Å²	66.5	76%	0.76	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-57.7	132	170.8	-22.8	33.4	0	0	0	110.8
485	R	96	Very high	94.6	Very high	125 Å²	125	64.4 Å²	64.4	47%	0.472	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-89.1	128.4	179.8	-64	-176	-179.7	-174.8	-2.1	110.8	P445 M483	P445-R485 HydrophobicContact CB-CG 4.26Å; P445-R485 CarbonylContact O-C 3.59Å; P445-R485 WeakPolarHBondContact O-CA 3.49Å; M483-R485 PolarHBondContact O-N 3.21Å
486	K	95.6	Very high	95	Very high	126 Å²	126	63.8 Å²	63.8	55%	0.548	37%	0.37	S	S	.	.	S	Bend	trans	-80.4	-30.2	171	-66.5	-164.4	-170.9	161	0	113	P445 T446 T448	P445-K486 PolarHBondContact O-N 2.71Å; T446-K486 VanDerWaalsContact O-CD 3.3Å; T446-K486 WeakPolarHBondContact O-CD 3.39Å; T446-K486 WeakPolarHBondContact O-CE 3.16Å; T446-K486 PolarHBondContact O-NZ 3.02Å; T446-K486 VanDerWaalsContact O-NZ 3.13Å; T448-K486 HydrophobicContact CG2-CD 3.54Å
487	A	94.8	Very high	95.6	Very high	6 Å²	6	68.9 Å²	68.9	5%	0.05	38%	0.38	C	S	.	.	S	Bend	trans	-105.2	133.9	177.8	0	0	0	0	0	111.5	E491 V492	A487-E491 VanDerWaalsContact CA-OE2 3.28Å; A487-E491 WeakPolarHBondContact CA-OE2 3.49Å; A487-E491 HydrophobicContact CB-CB 4.12Å; A487-V492 HydrophobicContact CB-CG2 3.97Å
488	N	94.9	Very high	96.1	Very high	88 Å²	88	71.2 Å²	71.2	47%	0.471	37%	0.37	S	S	.	.			trans	-81	169.4	170.6	70.2	55.9	0	0	0	111.2	S490 E491 V492	N488-S490 VanDerWaalsContact C-N 3.25Å; N488-S490 PolarHBondContact O-N 2.82Å; N488-S490 WeakPolarHBondContact OD1-CA 3.31Å; N488-S490 VanDerWaalsContact OD1-CB 3.26Å; N488-S490 WeakPolarHBondContact OD1-CB 3.45Å; N488-S490 PolarHBondContact OD1-N 2.78Å; N488-E491 VanDerWaalsContact CG-OE2 3.28Å; N488-E491 PolarHBondContact N-OE2 3.44Å; N488-E491 PolarHBondContact ND2-OE2 3.15Å; N488-E491 PolarHBondContact O-N 2.92Å; N488-E491 VanDerWaalsContact O-N 3.11Å; N488-E491 PolarHBondContact OD1-N 2.96Å; N488-V492 WeakPolarHBondContact O-CG2 3.34Å; N488-V492 PolarHBondContact O-N 3.16Å
489	S	93.4	Very high	96.4	Very high	80 Å²	80	71 Å²	71	56%	0.559	37%	0.37	S	S	*	.	H	α-helix	trans	-58.5	-32.9	-176.9	-53.9	0	0	0	0	114.1	K493	S489-K493 WeakPolarHBondContact O-CB 3.3Å; S489-K493 VanDerWaalsContact O-CG 3.29Å; S489-K493 WeakPolarHBondContact O-CG 3.36Å; S489-K493 PolarHBondContact O-N 3.48Å
490	S	96.1	Very high	96.4	Very high	86 Å²	86	70.4 Å²	70.4	60%	0.601	36%	0.36	S	S	*	.	H	α-helix	trans	-69.4	-41.2	177.6	-173.8	0	0	0	0	111.3	N488 K493 S494	N488-S490 VanDerWaalsContact C-N 3.25Å; N488-S490 PolarHBondContact O-N 2.82Å; N488-S490 WeakPolarHBondContact OD1-CA 3.31Å; N488-S490 VanDerWaalsContact OD1-CB 3.26Å; N488-S490 WeakPolarHBondContact OD1-CB 3.45Å; N488-S490 PolarHBondContact OD1-N 2.78Å; S490-K493 PolarHBondContact O-N 2.85Å; S490-S494 WeakPolarHBondContact O-CB 3.28Å; S490-S494 PolarHBondContact O-N 3.15Å
491	E	97.3	Very high	96.5	Very high	69 Å²	69	74.5 Å²	74.5	32%	0.322	38%	0.381	S	S	.	.	H	α-helix	trans	-64.7	-44.6	176	-68	169.9	131.7	0	0	110.9	A487 N488 K493 S494 R495	A487-E491 VanDerWaalsContact CA-OE2 3.28Å; A487-E491 WeakPolarHBondContact CA-OE2 3.49Å; A487-E491 HydrophobicContact CB-CB 4.12Å; N488-E491 VanDerWaalsContact CG-OE2 3.28Å; N488-E491 PolarHBondContact N-OE2 3.44Å; N488-E491 PolarHBondContact ND2-OE2 3.15Å; N488-E491 PolarHBondContact O-N 2.92Å; N488-E491 VanDerWaalsContact O-N 3.11Å; N488-E491 PolarHBondContact OD1-N 2.96Å; E491-K493 PolarHBondContact O-N 3.47Å; E491-S494 WeakPolarHBondContact O-CB 3.37Å; E491-S494 PolarHBondContact O-N 3.28Å; E491-S494 VanDerWaalsContact O-N 3.15Å; E491-R495 VanDerWaalsContact O-CG 3.29Å; E491-R495 WeakPolarHBondContact O-CG 3.35Å; E491-R495 PolarHBondContact O-N 3.26Å
492	V	96.9	Very high	96.7	Very high	16 Å²	16	74.2 Å²	74.2	10%	0.097	38%	0.376	C	S	.	.	H	α-helix	trans	-60	-45	176	179.2	0	0	0	0	111.5	Q471 A487 N488 S494 R495 T496	Q471-V492 HydrophobicContact CB-CG1 4.11Å; Q471-V492 HydrophobicContact CG-CG1 3.82Å; A487-V492 HydrophobicContact CB-CG2 3.97Å; N488-V492 WeakPolarHBondContact O-CG2 3.34Å; N488-V492 PolarHBondContact O-N 3.16Å; V492-S494 VanDerWaalsContact C-N 3.32Å; V492-S494 PolarHBondContact O-N 3.37Å; V492-R495 PolarHBondContact O-N 3.48Å; V492-T496 PolarHBondContact O-N 2.63Å; V492-T496 PolarHBondContact O-OG1 3.35Å
493	K	96.6	Very high	96.8	Very high	107 Å²	107	68.4 Å²	68.4	47%	0.465	34%	0.344	S	S	.	.	H	α-helix	trans	-59.8	-41.2	174.8	-74.9	175.4	-176.3	-179.8	0	111.7	D5 S489 S490 E491 R497	D5-K493 IonicContact OD1-NZ 3.24Å; S489-K493 WeakPolarHBondContact O-CB 3.3Å; S489-K493 VanDerWaalsContact O-CG 3.29Å; S489-K493 WeakPolarHBondContact O-CG 3.36Å; S489-K493 PolarHBondContact O-N 3.48Å; S490-K493 PolarHBondContact O-N 2.85Å; E491-K493 PolarHBondContact O-N 3.47Å; K493-R497 WeakPolarHBondContact O-CB 3.4Å; K493-R497 PolarHBondContact O-N 3.34Å
494	S	97.8	Very high	96.7	Very high	77 Å²	77	73.5 Å²	73.5	54%	0.538	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-46.1	176.4	-174.8	0	0	0	0	112.1	S490 E491 V492 R497 R498	S490-S494 WeakPolarHBondContact O-CB 3.28Å; S490-S494 PolarHBondContact O-N 3.15Å; E491-S494 WeakPolarHBondContact O-CB 3.37Å; E491-S494 PolarHBondContact O-N 3.28Å; E491-S494 VanDerWaalsContact O-N 3.15Å; V492-S494 VanDerWaalsContact C-N 3.32Å; V492-S494 PolarHBondContact O-N 3.37Å; S494-R497 PolarHBondContact O-N 3.08Å; S494-R498 PolarHBondContact O-N 3.25Å
495	R	98.1	Very high	96.7	Very high	9 Å²	9	72.1 Å²	72.1	3%	0.034	35%	0.354	C	S	.	.	H	α-helix	trans	-58.6	-50.9	176.8	-72.1	179	-174.1	174	3.4	112	C442 E447 N449 F452 E491 V492 R497 R498 L499	C442-R495 HydrophobicContact CB-CB 4.29Å; E447-R495 PolarHBondContact O-NH1 3.27Å; E447-R495 PolarHBondContact O-NH2 3.09Å; E447-R495 WeakPolarHBondContact OE2-CD 3.39Å; E447-R495 IonicContact OE2-CZ 3.19Å; E447-R495 IonicContact OE2-NE 2.73Å; E447-R495 IonicContact OE2-NH1 2.87Å; E447-R495 PolarHBondContact OE2-NH1 3.16Å; N449-R495 PolarHBondContact OD1-NH2 3.27Å; F452-R495 HydrophobicContact CD1-CB 4.32Å; F452-R495 HydrophobicContact CD1-CG 3.67Å; F452-R495 HydrophobicContact CD2-CB 3.87Å; F452-R495 HydrophobicContact CD2-CG 3.83Å; F452-R495 HydrophobicContact CE1-CB 3.93Å; F452-R495 HydrophobicContact CE1-CG 3.67Å; F452-R495 HydrophobicContact CE2-CB 3.49Å; F452-R495 VanDerWaalsContact CE2-CB 3.49Å; F452-R495 HydrophobicContact CE2-CG 3.89Å; F452-R495 HydrophobicContact CG-CB 4.28Å; F452-R495 HydrophobicContact CG-CG 3.73Å; F452-R495 VanDerWaalsContact CZ-CA 3.43Å; F452-R495 HydrophobicContact CZ-CB 3.53Å; F452-R495 HydrophobicContact CZ-CG 3.82Å; F452-R495 VanDerWaalsContact CZ-O 3.25Å; F452-R495 WeakPolarHBondContact CZ-O 3.16Å; E491-R495 VanDerWaalsContact O-CG 3.29Å; E491-R495 WeakPolarHBondContact O-CG 3.35Å; E491-R495 PolarHBondContact O-N 3.26Å; V492-R495 PolarHBondContact O-N 3.48Å; R495-R497 VanDerWaalsContact C-N 3.31Å; R495-R497 PolarHBondContact O-N 3.09Å; R495-R498 PolarHBondContact O-N 3.3Å; R495-L499 PolarHBondContact O-N 2.65Å
496	T	97.3	Very high	96.6	Very high	12 Å²	12	66.7 Å²	66.7	7%	0.074	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-42.1	177	-61.3	0	0	0	0	111.9	C442 I469 Q471 V492 L499 H500	C442-T496 WeakPolarHBondContact CB-OG1 3.5Å; I469-T496 HydrophobicContact CG2-CG2 3.93Å; Q471-T496 HydrophobicContact CG-CG2 4.33Å; Q471-T496 VanDerWaalsContact CG-OG1 3.24Å; Q471-T496 WeakPolarHBondContact CG-OG1 3.46Å; V492-T496 PolarHBondContact O-N 2.63Å; V492-T496 PolarHBondContact O-OG1 3.35Å; T496-L499 PolarHBondContact O-N 3.07Å; T496-H500 PolarHBondContact O-CD2 3.1Å; T496-H500 PolarHBondContact O-N 3.45Å
497	R	98.1	Very high	96.3	Very high	175 Å²	175	67.9 Å²	67.9	66%	0.66	34%	0.335	S	S	*	.	H	α-helix	trans	-61.4	-47.2	175.8	-175	178.1	-63.1	-168.7	-0.2	111.6	K493 S494 R495 L499 H500 D501	K493-R497 WeakPolarHBondContact O-CB 3.4Å; K493-R497 PolarHBondContact O-N 3.34Å; S494-R497 PolarHBondContact O-N 3.08Å; R495-R497 VanDerWaalsContact C-N 3.31Å; R495-R497 PolarHBondContact O-N 3.09Å; R497-L499 VanDerWaalsContact C-N 3.33Å; R497-L499 PolarHBondContact O-N 2.78Å; R497-H500 WeakPolarHBondContact O-CB 3.32Å; R497-H500 PolarHBondContact O-N 3.2Å; R497-H500 VanDerWaalsContact O-N 3.08Å; R497-D501 VanDerWaalsContact O-CG 3.26Å; R497-D501 PolarHBondContact O-N 3.49Å
498	R	98.4	Very high	96	Very high	109 Å²	109	69 Å²	69	41%	0.411	34%	0.341	S	S	.	.	H	α-helix	trans	-57.9	-43.5	178.4	-173.1	-172.2	175.5	-168.6	-6.3	112.1	F452 N453 S494 R495 D501 L502	F452-R498 HydrophobicContact CZ-CB 4.29Å; N453-R498 PolarHBondContact OD1-NH1 3.28Å; S494-R498 PolarHBondContact O-N 3.25Å; R495-R498 PolarHBondContact O-N 3.3Å; R498-D501 PolarHBondContact O-N 3.41Å; R498-L502 WeakPolarHBondContact O-CB 3.34Å; R498-L502 PolarHBondContact O-N 3.06Å
499	L	98.3	Very high	95.8	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67	-35.9	175.8	-74	-176.1	0	0	0	112.7	V440 C442 F452 T455 V456 I459 I469 R495 T496 R497 L502 F503	V440-L499 HydrophobicContact CB-CD1 4.35Å; V440-L499 HydrophobicContact CG1-CD1 3.67Å; C442-L499 VanDerWaalsContact SG-CD1 3.57Å; F452-L499 HydrophobicContact CE2-CD1 3.94Å; F452-L499 HydrophobicContact CE2-CD2 4.43Å; F452-L499 HydrophobicContact CE2-CG 3.84Å; F452-L499 HydrophobicContact CZ-CG 4.02Å; T455-L499 HydrophobicContact CG2-CD1 4.42Å; V456-L499 HydrophobicContact CG2-CD2 3.8Å; I459-L499 HydrophobicContact CG1-CD2 4.31Å; I469-L499 VanDerWaalsContact CD1-C 3.42Å; I469-L499 HydrophobicContact CD1-CB 3.64Å; I469-L499 WeakPolarHBondContact CD1-O 3.18Å; I469-L499 HydrophobicContact CG1-CB 4.19Å; I469-L499 HydrophobicContact CG2-CB 4.11Å; I469-L499 HydrophobicContact CG2-CD1 4.2Å; R495-L499 PolarHBondContact O-N 2.65Å; T496-L499 PolarHBondContact O-N 3.07Å; R497-L499 VanDerWaalsContact C-N 3.33Å; R497-L499 PolarHBondContact O-N 2.78Å; L499-L502 HydrophobicContact CD2-CD2 4.33Å; L499-F503 WeakPolarHBondContact O-CB 3.27Å; L499-F503 PolarHBondContact O-N 3.03Å
500	H	97.6	Very high	95.3	Very high	65 Å²	65	66.7 Å²	66.7	30%	0.301	32%	0.322	S	S	.	.	H	α-helix	trans	-65.4	-40.3	173.8	-83.5	-61.7	0	0	0	112.1	I469 T496 R497 F503 R504	I469-H500 HydrophobicContact CD1-CB 4.41Å; T496-H500 PolarHBondContact O-CD2 3.1Å; T496-H500 PolarHBondContact O-N 3.45Å; R497-H500 WeakPolarHBondContact O-CB 3.32Å; R497-H500 PolarHBondContact O-N 3.2Å; R497-H500 VanDerWaalsContact O-N 3.08Å; H500-F503 PolarHBondContact O-N 2.66Å; H500-R504 WeakPolarHBondContact O-CB 3.49Å; H500-R504 VanDerWaalsContact O-CG 3.3Å; H500-R504 WeakPolarHBondContact O-CG 3.49Å; H500-R504 PolarHBondContact O-N 2.73Å
501	D	98.1	Very high	95	Very high	85 Å²	85	65.2 Å²	65.2	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-67.7	-41.8	178.4	-64.7	-19.7	0	0	0	110.7	R497 R498 R504 S505	R497-D501 VanDerWaalsContact O-CG 3.26Å; R497-D501 PolarHBondContact O-N 3.49Å; R498-D501 PolarHBondContact O-N 3.41Å; D501-R504 PolarHBondContact O-N 3.21Å; D501-R504 IonicContact OD1-NH1 2.75Å; D501-S505 PolarHBondContact O-N 2.84Å; D501-S505 VanDerWaalsContact O-N 3.07Å
502	L	98.1	Very high	94.7	Very high	21 Å²	21	63.2 Å²	63.2	11%	0.11	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-48	170.2	172	60.8	0	0	0	111.7	V456 I459 E460 R498 L499 R504 S505 Y506	V456-L502 HydrophobicContact CG1-CD2 4.05Å; I459-L502 HydrophobicContact CB-CD2 3.84Å; I459-L502 HydrophobicContact CG2-CD2 3.66Å; I459-L502 HydrophobicContact CG2-CG 4.13Å; E460-L502 HydrophobicContact CG-CD1 3.64Å; E460-L502 HydrophobicContact CG-CD2 3.8Å; E460-L502 HydrophobicContact CG-CG 4.38Å; R498-L502 WeakPolarHBondContact O-CB 3.34Å; R498-L502 PolarHBondContact O-N 3.06Å; L499-L502 HydrophobicContact CD2-CD2 4.33Å; L502-R504 PolarHBondContact O-N 3.26Å; L502-S505 PolarHBondContact O-N 3.47Å; L502-S505 PolarHBondContact O-OG 3.4Å; L502-Y506 HydrophobicContact CD1-CD1 4.43Å; L502-Y506 HydrophobicContact CG-CE1 4.43Å; L502-Y506 WeakPolarHBondContact O-CD1 3.4Å; L502-Y506 WeakPolarHBondContact O-CE1 3.41Å
503	F	97.1	Very high	94.7	Very high	17 Å²	17	66.6 Å²	66.6	8%	0.075	33%	0.33	C	S	.	.	H	α-helix	trans	-59.7	-34.4	179.5	-176.7	-142.1	0	0	0	111.6	F464 L467 I469 L499 H500 Y506 K563 F564	F464-F503 WeakPolarHBondContact O-CE2 3.15Å; L467-F503 HydrophobicContact CB-CD1 4.37Å; L467-F503 HydrophobicContact CB-CD2 3.93Å; L467-F503 HydrophobicContact CB-CE1 4.31Å; L467-F503 HydrophobicContact CB-CE2 3.89Å; L467-F503 HydrophobicContact CB-CG 4.19Å; L467-F503 HydrophobicContact CB-CZ 4.1Å; L467-F503 HydrophobicContact CD2-CB 4.18Å; L467-F503 HydrophobicContact CD2-CD2 4.3Å; L467-F503 HydrophobicContact CD2-CG 4.26Å; I469-F503 HydrophobicContact CD1-CB 4.33Å; L499-F503 WeakPolarHBondContact O-CB 3.27Å; L499-F503 PolarHBondContact O-N 3.03Å; H500-F503 PolarHBondContact O-N 2.66Å; F503-Y506 HydrophobicContact CD2-CE1 4.21Å; F503-Y506 AromaticContact CD2-CE2 3.94Å; F503-Y506 HydrophobicContact CD2-CE2 3.94Å; F503-Y506 AromaticContact CD2-CZ 3.55Å; F503-Y506 VanDerWaalsContact CD2-OH 3.27Å; F503-Y506 WeakPolarHBondContact CD2-OH 3.46Å; F503-Y506 HydrophobicContact CE2-CE2 4.15Å; F503-K563 WeakPolarHBondContact O-CE 3.32Å; F503-K563 PolarHBondContact O-NZ 3.45Å; F503-F564 HydrophobicContact CD1-CE1 4.37Å; F503-F564 AromaticContact CE1-CE1 3.62Å; F503-F564 HydrophobicContact CE1-CE1 3.62Å; F503-F564 HydrophobicContact CE1-CZ 4.46Å; F503-F564 HydrophobicContact CZ-CE1 4.07Å
504	R	95.1	Very high	94.6	Very high	153 Å²	153	63.7 Å²	63.7	58%	0.577	33%	0.33	S	S	*	.	H	α-helix	trans	-76	-20.2	176	-73.4	177.3	-177.8	123.2	1.6	113.9	H500 D501 L502	H500-R504 WeakPolarHBondContact O-CB 3.49Å; H500-R504 VanDerWaalsContact O-CG 3.3Å; H500-R504 WeakPolarHBondContact O-CG 3.49Å; H500-R504 PolarHBondContact O-N 2.73Å; D501-R504 PolarHBondContact O-N 3.21Å; D501-R504 IonicContact OD1-NH1 2.75Å; L502-R504 PolarHBondContact O-N 3.26Å
505	S	95.1	Very high	94.5	Very high	89 Å²	89	60.7 Å²	60.7	62%	0.622	31%	0.309	S	S	*	.	H	α-helix	trans	-76.4	-31.8	-173.6	76.2	0	0	0	0	113.3	D501 L502	D501-S505 PolarHBondContact O-N 2.84Å; D501-S505 VanDerWaalsContact O-N 3.07Å; L502-S505 PolarHBondContact O-N 3.47Å; L502-S505 PolarHBondContact O-OG 3.4Å
506	Y	94.7	Very high	94.4	Very high	11 Å²	11	63 Å²	63	4%	0.043	32%	0.32	C	S	.	.	S	Bend	trans	-98	157.3	176.4	62.6	-98.5	0	0	0	112.5	I459 Q463 F464 L502 F503 T508 K563	I459-Y506 HydrophobicContact CG2-CE1 4.15Å; Q463-Y506 HydrophobicContact CB-CD1 4.33Å; Q463-Y506 HydrophobicContact CB-CD2 3.73Å; Q463-Y506 HydrophobicContact CB-CE1 4.36Å; Q463-Y506 HydrophobicContact CB-CE2 3.79Å; Q463-Y506 HydrophobicContact CB-CG 3.99Å; Q463-Y506 HydrophobicContact CG-CD1 4.15Å; Q463-Y506 HydrophobicContact CG-CD2 4.3Å; Q463-Y506 HydrophobicContact CG-CE1 4.44Å; Q463-Y506 HydrophobicContact CG-CG 4.04Å; Q463-Y506 VanDerWaalsContact O-CE2 3.27Å; Q463-Y506 WeakPolarHBondContact O-CE2 3.23Å; F464-Y506 PolarHBondContact N-OH 2.91Å; F464-Y506 WeakPolarHBondContact O-CE2 3.31Å; F464-Y506 PolarHBondContact O-OH 2.79Å; L502-Y506 HydrophobicContact CD1-CD1 4.43Å; L502-Y506 HydrophobicContact CG-CE1 4.43Å; L502-Y506 WeakPolarHBondContact O-CD1 3.4Å; L502-Y506 WeakPolarHBondContact O-CE1 3.41Å; F503-Y506 HydrophobicContact CD2-CE1 4.21Å; F503-Y506 AromaticContact CD2-CE2 3.94Å; F503-Y506 HydrophobicContact CD2-CE2 3.94Å; F503-Y506 AromaticContact CD2-CZ 3.55Å; F503-Y506 VanDerWaalsContact CD2-OH 3.27Å; F503-Y506 WeakPolarHBondContact CD2-OH 3.46Å; F503-Y506 HydrophobicContact CE2-CE2 4.15Å; Y506-T508 HydrophobicContact CD2-CG2 4.11Å; Y506-T508 HydrophobicContact CE2-CG2 4.17Å; Y506-K563 PolarHBondContact O-NZ 3.37Å
507	R	89.5	Confident	94.4	Very high	151 Å²	151	62.5 Å²	62.5	57%	0.57	32%	0.317	S	S	*	.			trans	-123	146	175.8	-68.4	-176	177	-142.9	-2.1	109.7	D510	R507-D510 VanDerWaalsContact CB-OD1 3.27Å; R507-D510 WeakPolarHBondContact CB-OD1 3.25Å; R507-D510 WeakPolarHBondContact CD-OD1 3.48Å
508	T	87.4	Confident	94.4	Very high	30 Å²	30	55.8 Å²	55.8	18%	0.184	29%	0.291	C	S	.	.	S	Bend	trans	-113.9	-2.1	-177.8	53.3	0	0	0	0	113.1	P465 Y506	P465-T508 HydrophobicContact CB-CG2 4.01Å; P465-T508 HydrophobicContact CG-CG2 4.03Å; Y506-T508 HydrophobicContact CD2-CG2 4.11Å; Y506-T508 HydrophobicContact CE2-CG2 4.17Å
509	Y	89.8	Confident	94.3	Very high	17 Å²	17	50.6 Å²	50.6	7%	0.067	27%	0.272	C	S	.	.			trans	-116.7	23.4	-178	-46.2	-41.8	0	0	0	112.4	R512 E539 C561 D562 K563 M566	Y509-R512 WeakPolarHBondContact O-CB 3.44Å; Y509-R512 VanDerWaalsContact O-CG 3.23Å; Y509-R512 WeakPolarHBondContact O-CG 3.47Å; Y509-R512 PolarHBondContact O-N 3.22Å; Y509-E539 HydrophobicContact CE1-CB 4.21Å; Y509-E539 HydrophobicContact CE1-CG 3.93Å; Y509-C561 PolarHBondContact O-SG 3.41Å; Y509-C561 VanDerWaalsContact O-SG 3.41Å; Y509-D562 WeakPolarHBondContact CD2-O 3.32Å; Y509-K563 WeakPolarHBondContact CE2-O 3.16Å; Y509-M566 HydrophobicContact CD1-CE 4.38Å; Y509-M566 HydrophobicContact CD2-CG 4.16Å; Y509-M566 HydrophobicContact CG-CG 4.19Å; Y509-M566 HydrophobicContact CG-SD 4.28Å
510	D	84.6	Confident	94.4	Very high	102 Å²	102	50.6 Å²	50.6	55%	0.545	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	141.4	178.2	-68.5	-20.5	0	0	0	110.5	R507 R512	R507-D510 VanDerWaalsContact CB-OD1 3.27Å; R507-D510 WeakPolarHBondContact CB-OD1 3.25Å; R507-D510 WeakPolarHBondContact CD-OD1 3.48Å; D510-R512 PolarHBondContact O-N 2.78Å
511	G	88.3	Confident	94.4	Very high	54 Å²	54	47.5 Å²	47.5	56%	0.557	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	7	-179.1	0	0	0	0	0	115.6
512	R	92.6	Very high	94.3	Very high	27 Å²	27	43.4 Å²	43.4	10%	0.102	24%	0.236	C	C	.	.			trans	-85.2	-19	-178.4	-52.1	-56.7	-172.7	86.6	16.5	114.3	N429 G430 G432 Y509 D510 G514 C515 E539 I558 M566	N429-R512 PolarHBondContact O-NE 3.42Å; N429-R512 PolarHBondContact O-NH1 3.14Å; G430-R512 VanDerWaalsContact C-NH1 3.27Å; G430-R512 PolarHBondContact O-NH1 3.17Å; G432-R512 VanDerWaalsContact CA-NH1 3.27Å; Y509-R512 WeakPolarHBondContact O-CB 3.44Å; Y509-R512 VanDerWaalsContact O-CG 3.23Å; Y509-R512 WeakPolarHBondContact O-CG 3.47Å; Y509-R512 PolarHBondContact O-N 3.22Å; D510-R512 PolarHBondContact O-N 2.78Å; R512-G514 PolarHBondContact O-N 3.09Å; R512-C515 VanDerWaalsContact O-CB 3.27Å; R512-C515 WeakPolarHBondContact O-CB 3.12Å; R512-C515 PolarHBondContact O-N 2.83Å; R512-C515 VanDerWaalsContact O-N 3.1Å; R512-E539 IonicContact CZ-OE1 3.31Å; R512-E539 IonicContact CZ-OE2 3.07Å; R512-E539 IonicContact NH1-OE1 2.99Å; R512-E539 IonicContact NH1-OE2 2.67Å; R512-E539 PolarHBondContact NH1-OE2 3.36Å; R512-E539 IonicContact NH2-OE1 3.69Å; R512-E539 PolarHBondContact NH2-OE1 2.9Å; R512-E539 IonicContact NH2-OE2 3.41Å; R512-I558 HydrophobicContact CB-CD1 4.05Å; R512-I558 WeakPolarHBondContact O-CB 3.4Å; R512-M566 HydrophobicContact CB-SD 3.92Å; R512-M566 HydrophobicContact CG-SD 4.26Å
513	V	95.5	Very high	94.2	Very high	88 Å²	88	44.7 Å²	44.7	53%	0.533	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	130.1	176.3	178.3	0	0	0	0	109.9	C515 C561	V513-C515 VanDerWaalsContact C-N 3.32Å; V513-C561 HydrophobicContact CG2-CB 4.4Å
514	G	95.1	Very high	94.1	Very high	46 Å²	46	46.9 Å²	46.9	47%	0.474	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-17.9	-176.7	0	0	0	0	0	114.2	R512 I558	R512-G514 PolarHBondContact O-N 3.09Å; G514-I558 PolarHBondContact N-O 2.79Å
515	C	95.4	Very high	94	Very high	14 Å²	14	40.2 Å²	40.2	10%	0.095	23%	0.234	C	C	.	.			trans	-65.7	144.1	177.1	-65	0	0	0	0	111.4	V428 R512 V513 R557 I558	V428-C515 PolarHBondContact O-SG 3.04Å; V428-C515 VanDerWaalsContact O-SG 3.39Å; R512-C515 VanDerWaalsContact O-CB 3.27Å; R512-C515 WeakPolarHBondContact O-CB 3.12Å; R512-C515 PolarHBondContact O-N 2.83Å; R512-C515 VanDerWaalsContact O-N 3.1Å; V513-C515 VanDerWaalsContact C-N 3.32Å; C515-R557 WeakPolarHBondContact O-CA 3.35Å; C515-I558 HydrophobicContact CB-CD1 4.35Å; C515-I558 PolarHBondContact O-N 3.19Å
516	E	95.9	Very high	93.5	Very high	58 Å²	58	46.4 Å²	46.4	27%	0.271	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.4	170.5	-64.8	-176.7	176.7	0	0	110.2	P420 L555 V556 R557	P420-E516 HydrophobicContact CG-CB 4.1Å; P420-E516 WeakPolarHBondContact CG-O 3.35Å; E516-L555 HydrophobicContact CB-CD1 4.24Å; E516-V556 CarbonylContact C-O 3.52Å; E516-V556 VanDerWaalsContact CA-O 3.29Å; E516-V556 WeakPolarHBondContact CA-O 3.47Å; E516-R557 HydrophobicContact CG-CB 4.37Å; E516-R557 HydrophobicContact CG-CG 4.42Å; E516-R557 IonicContact OE1-CZ 2.69Å; E516-R557 IonicContact OE1-NE 3.72Å; E516-R557 PolarHBondContact OE1-NE 2.83Å; E516-R557 IonicContact OE1-NH2 2.73Å; E516-R557 PolarHBondContact OE1-NH2 3.34Å
517	V	97.1	Very high	93.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151.4	-175	-61.4	0	0	0	0	109.8	G430 V519 T535 I541 V556 I558	G430-V517 VanDerWaalsContact CA-CG1 3.45Å; G430-V517 WeakPolarHBondContact O-CG1 3.24Å; V517-V519 HydrophobicContact CG2-CG1 4.07Å; V517-T535 HydrophobicContact CG2-CG2 4.44Å; V517-I541 HydrophobicContact CG2-CD1 3.67Å; V517-V556 HydrophobicContact CG2-CB 4.22Å; V517-V556 PolarHBondContact N-O 3.04Å; V517-V556 PolarHBondContact O-N 3.28Å; V517-I558 HydrophobicContact CG1-CD1 4Å; V517-I558 HydrophobicContact CG2-CD1 4.09Å; V517-I558 HydrophobicContact CG2-CG1 4.14Å
518	R	97.7	Very high	93.4	Very high	34 Å²	34	43.9 Å²	43.9	13%	0.128	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	141.3	165	-69.7	179	179.5	168.9	1.3	109.7	I553 V554 L555 F576 S578 I579 F581	R518-I553 HydrophobicContact CB-CG2 3.9Å; R518-V554 WeakPolarHBondContact CA-O 3.4Å; R518-L555 HydrophobicContact CG-CD1 4.16Å; R518-F576 HydrophobicContact CG-CD2 4.37Å; R518-F576 VanDerWaalsContact CZ-CD1 3.42Å; R518-F576 VanDerWaalsContact NH2-CD1 3.28Å; R518-S578 WeakPolarHBondContact CD-O 3.44Å; R518-S578 PolarHBondContact NH1-O 3.26Å; R518-S578 VanDerWaalsContact NH1-O 3.17Å; R518-I579 HydrophobicContact CB-CG1 4.22Å; R518-I579 WeakPolarHBondContact CB-O 3.33Å; R518-I579 WeakPolarHBondContact O-CG1 3.36Å; R518-F581 HydrophobicContact CG-CE1 3.98Å; R518-F581 HydrophobicContact CG-CZ 3.9Å
519	V	98.2	Very high	93.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	145.5	176.5	-60.7	0	0	0	0	111	V517 I521 H534 T535 I541 L543 I553 V554 V556	V517-V519 HydrophobicContact CG2-CG1 4.07Å; V519-I521 HydrophobicContact CG2-CG1 4.49Å; V519-H534 VanDerWaalsContact CA-O 3.22Å; V519-H534 WeakPolarHBondContact CA-O 3.49Å; V519-H534 WeakPolarHBondContact CB-O 3.43Å; V519-T535 HydrophobicContact CG1-CG2 3.89Å; V519-I541 HydrophobicContact CG1-CD1 3.72Å; V519-I541 HydrophobicContact CG1-CG1 4.17Å; V519-L543 HydrophobicContact CG2-CD1 3.83Å; V519-I553 VanDerWaalsContact O-CA 3.25Å; V519-I553 WeakPolarHBondContact O-CA 3.11Å; V519-V554 HydrophobicContact CG2-CG2 3.9Å; V519-V554 PolarHBondContact N-O 3.48Å; V519-V554 PolarHBondContact O-N 2.95Å; V519-V556 HydrophobicContact CG2-CG2 3.64Å
520	L	98.6	Very high	94	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.3	169.6	175.4	58.1	0	0	0	109.1	K294 M348 T522 G533 H534 I553	K294-L520 HydrophobicContact CB-CD1 4.26Å; K294-L520 HydrophobicContact CB-CD2 4.29Å; M348-L520 HydrophobicContact CB-CD2 3.99Å; M348-L520 HydrophobicContact CG-CD2 3.73Å; L520-T522 HydrophobicContact CD1-CG2 4.22Å; L520-T522 HydrophobicContact CD2-CG2 3.97Å; L520-T522 HydrophobicContact CG-CG2 3.78Å; L520-G533 CarbonylContact O-C 3.55Å; L520-G533 VanDerWaalsContact O-CA 3.23Å; L520-G533 WeakPolarHBondContact O-CA 3.36Å; L520-H534 PolarHBondContact N-O 3.17Å; L520-H534 VanDerWaalsContact N-O 3.12Å; L520-H534 PolarHBondContact O-N 3.23Å; L520-I553 HydrophobicContact CB-CG1 4.12Å; L520-I553 HydrophobicContact CD1-CG1 3.89Å
521	I	98.4	Very high	94.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	113.1	177.6	-59.5	174.8	0	0	0	109.7	V519 W531 L543 V549 Y550 G551 R552 V554	V519-I521 HydrophobicContact CG2-CG1 4.49Å; I521-W531 HydrophobicContact CG2-CB 3.63Å; I521-W531 HydrophobicContact CG2-CD2 4.39Å; I521-W531 HydrophobicContact CG2-CG 3.9Å; I521-L543 HydrophobicContact CD1-CD1 3.57Å; I521-L543 HydrophobicContact CG1-CD1 3.82Å; I521-V549 HydrophobicContact CD1-CB 4.03Å; I521-V549 HydrophobicContact CD1-CG2 3.63Å; I521-Y550 HydrophobicContact CG2-CD2 3.94Å; I521-G551 WeakPolarHBondContact O-CA 3.25Å; I521-G551 PolarHBondContact O-N 2.92Å; I521-R552 PolarHBondContact N-O 3.36Å; I521-V554 HydrophobicContact CD1-CG1 4.36Å; I521-V554 HydrophobicContact CD1-CG2 3.72Å; I521-V554 HydrophobicContact CG1-CG2 4.17Å
522	T	97.1	Very high	95.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	-14.7	-177.9	41.9	0	0	0	0	114.2	N245 L247 K294 E295 L520 V532 Y550	N245-T522 PolarHBondContact ND2-O 2.82Å; L247-T522 HydrophobicContact CB-CG2 4.25Å; L247-T522 HydrophobicContact CD1-CG2 4.44Å; K294-T522 HydrophobicContact CB-CG2 4.1Å; E295-T522 HydrophobicContact CB-CG2 4.23Å; E295-T522 PolarHBondContact OE2-OG1 3.26Å; E295-T522 VanDerWaalsContact OE2-OG1 3.09Å; L520-T522 HydrophobicContact CD1-CG2 4.22Å; L520-T522 HydrophobicContact CD2-CG2 3.97Å; L520-T522 HydrophobicContact CG-CG2 3.78Å; T522-V532 PolarHBondContact N-O 3.27Å; T522-Y550 PolarHBondContact O-OH 3.32Å
523	E	95.5	Very high	95.4	Very high	48 Å²	48	44 Å²	44	22%	0.224	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.2	-171.7	-63.8	-179.5	92.7	0	0	112.2	I248 V532 H534	I248-E523 HydrophobicContact CD1-CG 3.8Å; E523-V532 HydrophobicContact CB-CB 4.21Å; E523-V532 PolarHBondContact O-N 2.9Å; E523-H534 IonicContact OE2-CE1 3.88Å; E523-H534 PolarHBondContact OE2-CE1 3.44Å; E523-H534 VanDerWaalsContact OE2-CE1 3.28Å
524	P	94.6	Very high	95.5	Very high	63 Å²	63	39.9 Å²	39.9	41%	0.409	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	152.6	162.8	32	-32.3	0	0	0	111.3	W531	P524-W531 HydrophobicContact CB-CE3 4.13Å; P524-W531 HydrophobicContact CB-CZ3 3.87Å
525	S	93.8	Very high	95.6	Very high	12 Å²	12	37.7 Å²	37.7	8%	0.084	19%	0.186	C	C	.	.			trans	-63.2	159.2	167.5	62	0	0	0	0	110.8	D527 G528 K529 F530	S525-D527 VanDerWaalsContact C-N 3.26Å; S525-D527 WeakPolarHBondContact CB-OD1 3.34Å; S525-D527 PolarHBondContact O-N 3.1Å; S525-D527 PolarHBondContact OG-OD1 3.01Å; S525-G528 WeakPolarHBondContact O-CA 3.22Å; S525-G528 PolarHBondContact O-N 3.41Å; S525-G528 PolarHBondContact OG-N 2.71Å; S525-K529 PolarHBondContact OG-N 3.25Å; S525-F530 PolarHBondContact N-O 3.14Å; S525-F530 PolarHBondContact OG-N 3.03Å; S525-F530 PolarHBondContact OG-O 3.42Å
526	F	84.7	Confident	95.7	Very high	220 Å²	220	37.3 Å²	37.3	97%	0.965	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-39.2	-179.4	178.6	-97.1	0	0	0	113.4	G528	F526-G528 PolarHBondContact O-N 2.83Å
527	D	89.6	Confident	95.7	Very high	83 Å²	83	34.5 Å²	34.5	44%	0.444	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.1	176	69.1	-10.3	0	0	0	113.6	S525 K529	S525-D527 VanDerWaalsContact C-N 3.26Å; S525-D527 WeakPolarHBondContact CB-OD1 3.34Å; S525-D527 PolarHBondContact O-N 3.1Å; S525-D527 PolarHBondContact OG-OD1 3.01Å; D527-K529 HydrophobicContact CB-CG 4.4Å; D527-K529 PolarHBondContact O-N 3.49Å; D527-K529 PolarHBondContact OD1-N 3.23Å; D527-K529 VanDerWaalsContact OD1-N 3.13Å; D527-K529 VanDerWaalsContact OD2-CD 3.28Å; D527-K529 WeakPolarHBondContact OD2-CD 3.38Å; D527-K529 IonicContact OD2-NZ 2.81Å
528	G	90.6	Very high	95.8	Very high	26 Å²	26	35.6 Å²	35.6	27%	0.268	17%	0.174	S	C	.	.	S	Bend	trans	68.1	8.3	179.6	0	0	0	0	0	115	S525 F526 K545	S525-G528 WeakPolarHBondContact O-CA 3.22Å; S525-G528 PolarHBondContact O-N 3.41Å; S525-G528 PolarHBondContact OG-N 2.71Å; F526-G528 PolarHBondContact O-N 2.83Å; G528-K545 VanDerWaalsContact O-CD 3.27Å; G528-K545 WeakPolarHBondContact O-CD 3.36Å; G528-K545 WeakPolarHBondContact O-CE 3.4Å; G528-K545 PolarHBondContact O-NZ 3.05Å
529	K	94	Very high	95.7	Very high	132 Å²	132	34.4 Å²	34.4	57%	0.574	17%	0.17	S	C	*	.	S	Bend	trans	-85.5	-22.3	-175.9	-64.4	-175.3	-168.4	162.6	0	113.9	S525 D527 K545	S525-K529 PolarHBondContact OG-N 3.25Å; D527-K529 HydrophobicContact CB-CG 4.4Å; D527-K529 PolarHBondContact O-N 3.49Å; D527-K529 PolarHBondContact OD1-N 3.23Å; D527-K529 VanDerWaalsContact OD1-N 3.13Å; D527-K529 VanDerWaalsContact OD2-CD 3.28Å; D527-K529 WeakPolarHBondContact OD2-CD 3.38Å; D527-K529 IonicContact OD2-NZ 2.81Å; K529-K545 WeakPolarHBondContact O-CB 3.49Å
530	F	97.1	Very high	95.6	Very high	65 Å²	65	38.2 Å²	38.2	29%	0.285	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	159.9	-175.9	-60	-84.2	0	0	0	110.6	S525 L542 L543	S525-F530 PolarHBondContact N-O 3.14Å; S525-F530 PolarHBondContact OG-N 3.03Å; S525-F530 PolarHBondContact OG-O 3.42Å; F530-L542 HydrophobicContact CB-CB 4.2Å; F530-L542 HydrophobicContact CB-CD2 4.48Å; F530-L542 HydrophobicContact CG-CB 4.28Å; F530-L543 WeakPolarHBondContact CA-O 3.38Å; F530-L543 WeakPolarHBondContact CB-O 3.41Å; F530-L543 WeakPolarHBondContact CD1-O 3.26Å
531	W	97.9	Very high	95.6	Very high	27 Å²	27	38.2 Å²	38.2	10%	0.102	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	150.1	157.4	-69	136.4	0	0	0	110.3	I521 P524 L542 L543 K545 D546 Y550	I521-W531 HydrophobicContact CG2-CB 3.63Å; I521-W531 HydrophobicContact CG2-CD2 4.39Å; I521-W531 HydrophobicContact CG2-CG 3.9Å; P524-W531 HydrophobicContact CB-CE3 4.13Å; P524-W531 HydrophobicContact CB-CZ3 3.87Å; W531-L542 WeakPolarHBondContact O-CA 3.18Å; W531-L543 HydrophobicContact CB-CB 4.44Å; W531-L543 PolarHBondContact N-O 3.44Å; W531-L543 PolarHBondContact O-N 3.3Å; W531-K545 HydrophobicContact CD2-CG 3.91Å; W531-K545 HydrophobicContact CG-CG 4.26Å; W531-K545 HydrophobicContact CH2-CG 4.47Å; W531-K545 HydrophobicContact CZ2-CG 3.84Å; W531-D546 PolarHBondContact NE1-O 2.61Å; W531-Y550 AromaticContact CD2-CD2 3.81Å; W531-Y550 HydrophobicContact CD2-CD2 3.81Å; W531-Y550 HydrophobicContact CD2-CE2 4.39Å; W531-Y550 AromaticContact CE2-CD2 3.96Å; W531-Y550 AromaticContact CE3-CD2 3.52Å; W531-Y550 HydrophobicContact CE3-CD2 3.52Å; W531-Y550 AromaticContact CE3-CE2 3.65Å; W531-Y550 HydrophobicContact CE3-CE2 3.65Å; W531-Y550 AromaticContact CH2-CD2 3.69Å; W531-Y550 HydrophobicContact CH2-CD2 3.69Å; W531-Y550 AromaticContact CH2-CE2 3.96Å; W531-Y550 HydrophobicContact CH2-CE2 3.96Å; W531-Y550 AromaticContact CH2-CG 4Å; W531-Y550 HydrophobicContact CH2-CG 4Å; W531-Y550 AromaticContact CZ2-CD2 3.94Å; W531-Y550 HydrophobicContact CZ2-CD2 3.94Å; W531-Y550 HydrophobicContact CZ2-CG 4.07Å; W531-Y550 AromaticContact CZ3-CD2 3.46Å; W531-Y550 HydrophobicContact CZ3-CD2 3.46Å; W531-Y550 VanDerWaalsContact CZ3-CD2 3.46Å; W531-Y550 AromaticContact CZ3-CE2 3.4Å; W531-Y550 HydrophobicContact CZ3-CE2 3.4Å; W531-Y550 HydrophobicContact CZ3-CG 4.24Å
532	V	98.1	Very high	95.6	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.055	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.4	172.7	-176	0	0	0	0	107.5	T522 E523 Q540 L542	T522-V532 PolarHBondContact N-O 3.27Å; E523-V532 HydrophobicContact CB-CB 4.21Å; E523-V532 PolarHBondContact O-N 2.9Å; V532-Q540 HydrophobicContact CG1-CB 4.25Å; V532-Q540 HydrophobicContact CG1-CG 4.03Å; V532-L542 HydrophobicContact CG2-CD2 3.87Å
533	G	98	Very high	95.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	147.4	168.1	0	0	0	0	0	111	L520 I541	L520-G533 CarbonylContact O-C 3.55Å; L520-G533 VanDerWaalsContact O-CA 3.23Å; L520-G533 WeakPolarHBondContact O-CA 3.36Å; G533-I541 PolarHBondContact N-O 3Å; G533-I541 PolarHBondContact O-N 3.32Å
534	H	98.3	Very high	95.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.6	174.2	-68.4	93.6	0	0	0	110.9	Y376 V519 L520 E523 Y538 E539 Q540 I579	Y376-H534 HydrophobicContact CE1-CB 3.95Å; V519-H534 VanDerWaalsContact CA-O 3.22Å; V519-H534 WeakPolarHBondContact CA-O 3.49Å; V519-H534 WeakPolarHBondContact CB-O 3.43Å; L520-H534 PolarHBondContact N-O 3.17Å; L520-H534 VanDerWaalsContact N-O 3.12Å; L520-H534 PolarHBondContact O-N 3.23Å; E523-H534 IonicContact OE2-CE1 3.88Å; E523-H534 PolarHBondContact OE2-CE1 3.44Å; E523-H534 VanDerWaalsContact OE2-CE1 3.28Å; H534-Y538 HydrophobicContact CB-CD2 3.83Å; H534-Y538 HydrophobicContact CB-CE2 4.06Å; H534-Y538 AromaticContact CD2-CD2 3.75Å; H534-Y538 AromaticContact CD2-CE2 3.7Å; H534-Y538 AromaticContact CD2-CG 3.97Å; H534-Y538 AromaticContact CD2-CZ 3.87Å; H534-Y538 AromaticContact CG-CD2 3.78Å; H534-Y538 AromaticContact CG-CE2 3.63Å; H534-Y538 AromaticContact ND1-CE2 3.97Å; H534-Y538 AromaticContact NE2-CZ 3.82Å; H534-E539 WeakPolarHBondContact CA-O 3.37Å; H534-Q540 WeakPolarHBondContact NE2-CG 3.45Å; H534-I579 WeakPolarHBondContact O-CD1 3.22Å
535	T	97.4	Very high	95.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.204	C	C	.	.			trans	-72.3	175.8	169.4	66.7	0	0	0	0	111.3	Y376 S431 V517 V519 A537 Y538 E539 I541 M566 I579	Y376-T535 VanDerWaalsContact CD1-O 3.26Å; Y376-T535 WeakPolarHBondContact CD1-O 3.42Å; Y376-T535 WeakPolarHBondContact CE1-O 3.39Å; S431-T535 WeakPolarHBondContact O-CB 3.38Å; S431-T535 PolarHBondContact O-OG1 3.45Å; S431-T535 VanDerWaalsContact O-OG1 3.11Å; V517-T535 HydrophobicContact CG2-CG2 4.44Å; V519-T535 HydrophobicContact CG1-CG2 3.89Å; T535-A537 PolarHBondContact O-N 2.93Å; T535-A537 PolarHBondContact OG1-N 3.16Å; T535-Y538 WeakPolarHBondContact O-CA 3.36Å; T535-Y538 PolarHBondContact O-N 2.89Å; T535-E539 HydrophobicContact CG2-CB 4.35Å; T535-E539 PolarHBondContact N-O 3.32Å; T535-E539 WeakPolarHBondContact OG1-CB 3.31Å; T535-E539 PolarHBondContact OG1-N 3.31Å; T535-E539 VanDerWaalsContact OG1-N 3.14Å; T535-I541 HydrophobicContact CG2-CD1 3.65Å; T535-I541 HydrophobicContact CG2-CG1 4.07Å; T535-M566 HydrophobicContact CG2-CE 4.45Å; T535-I579 VanDerWaalsContact C-CD1 3.41Å
536	K	97.1	Very high	95.6	Very high	5 Å²	5	44 Å²	44	2%	0.022	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.7	172.1	171.7	57.9	-177.7	160.6	0	112.3	L370 H372 V375 Y376 S377 P417 Y538 I579 V580	L370-K536 PolarHBondContact O-NZ 2.78Å; H372-K536 PolarHBondContact O-NZ 3.38Å; V375-K536 PolarHBondContact O-NZ 2.93Å; Y376-K536 CarbonylContact C-O 3.59Å; Y376-K536 WeakPolarHBondContact CA-O 3.44Å; S377-K536 PolarHBondContact N-O 3.22Å; S377-K536 PolarHBondContact OG-O 3.14Å; P417-K536 HydrophobicContact CB-CG 4.19Å; P417-K536 HydrophobicContact CG-CB 4.12Å; P417-K536 HydrophobicContact CG-CG 4Å; K536-Y538 PolarHBondContact O-N 2.97Å; K536-I579 HydrophobicContact CB-CG2 4.23Å; K536-I579 HydrophobicContact CD-CG2 4.31Å; K536-V580 HydrophobicContact CD-CG2 4.11Å; K536-V580 HydrophobicContact CG-CG2 4.29Å
537	A	97	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	13	174.5	0	0	0	0	0	114.2	S377 S431 T435 T535 E539	S377-A537 WeakPolarHBondContact OG-CA 3.45Å; S431-A537 VanDerWaalsContact O-CB 3.28Å; S431-A537 WeakPolarHBondContact O-CB 3.25Å; S431-A537 PolarHBondContact O-N 2.67Å; T435-A537 WeakPolarHBondContact CB-O 3.45Å; T435-A537 PolarHBondContact OG1-O 2.76Å; T535-A537 PolarHBondContact O-N 2.93Å; T535-A537 PolarHBondContact OG1-N 3.16Å; A537-E539 HydrophobicContact CB-CG 4.12Å; A537-E539 PolarHBondContact O-N 2.97Å
538	Y	97.6	Very high	96.3	Very high	22 Å²	22	39.2 Å²	39.2	9%	0.086	20%	0.204	C	C	.	.			trans	59.1	29.8	-178	-153	-113.4	0	0	0	113.8	E295 W297 R350 Y376 F378 H534 T535 K536	E295-Y538 VanDerWaalsContact OE1-CE2 3.25Å; E295-Y538 WeakPolarHBondContact OE1-CE2 3.36Å; E295-Y538 PolarHBondContact OE1-OH 2.81Å; W297-Y538 VanDerWaalsContact CZ2-OH 3.26Å; W297-Y538 WeakPolarHBondContact CZ2-OH 3.18Å; R350-Y538 VanDerWaalsContact CD-CZ 3.45Å; R350-Y538 WeakPolarHBondContact CD-OH 3.25Å; R350-Y538 HydrophobicContact CG-CE2 4.49Å; R350-Y538 VanDerWaalsContact NE-CE1 3.3Å; R350-Y538 PolarHBondContact NH1-OH 3.44Å; R350-Y538 VanDerWaalsContact NH1-OH 3.07Å; Y376-Y538 AromaticContact CD1-CD2 3.72Å; Y376-Y538 HydrophobicContact CD1-CD2 3.72Å; Y376-Y538 AromaticContact CD2-CD2 3.63Å; Y376-Y538 HydrophobicContact CD2-CD2 3.63Å; Y376-Y538 AromaticContact CD2-CE2 3.94Å; Y376-Y538 HydrophobicContact CD2-CE2 3.94Å; Y376-Y538 AromaticContact CE1-CD2 3.83Å; Y376-Y538 HydrophobicContact CE1-CD2 3.83Å; Y376-Y538 HydrophobicContact CE1-CE2 4.43Å; Y376-Y538 AromaticContact CE2-CD2 3.71Å; Y376-Y538 HydrophobicContact CE2-CD2 3.71Å; Y376-Y538 AromaticContact CE2-CE2 3.7Å; Y376-Y538 HydrophobicContact CE2-CE2 3.7Å; Y376-Y538 AromaticContact CG-CD2 3.6Å; Y376-Y538 HydrophobicContact CG-CD2 3.6Å; Y376-Y538 HydrophobicContact CG-CE2 4.37Å; Y376-Y538 HydrophobicContact CG-CG 4.35Å; Y376-Y538 AromaticContact CZ-CD2 3.8Å; Y376-Y538 AromaticContact CZ-CE2 3.94Å; F378-Y538 HydrophobicContact CB-CG 4.23Å; F378-Y538 HydrophobicContact CD1-CD1 4.5Å; F378-Y538 AromaticContact CD2-CD1 3.92Å; F378-Y538 HydrophobicContact CD2-CD1 3.92Å; F378-Y538 HydrophobicContact CD2-CG 4.36Å; F378-Y538 HydrophobicContact CE2-CD1 4.27Å; F378-Y538 HydrophobicContact CG-CD1 4.07Å; F378-Y538 HydrophobicContact CG-CG 4.24Å; H534-Y538 HydrophobicContact CB-CD2 3.83Å; H534-Y538 HydrophobicContact CB-CE2 4.06Å; H534-Y538 AromaticContact CD2-CD2 3.75Å; H534-Y538 AromaticContact CD2-CE2 3.7Å; H534-Y538 AromaticContact CD2-CG 3.97Å; H534-Y538 AromaticContact CD2-CZ 3.87Å; H534-Y538 AromaticContact CG-CD2 3.78Å; H534-Y538 AromaticContact CG-CE2 3.63Å; H534-Y538 AromaticContact ND1-CE2 3.97Å; H534-Y538 AromaticContact NE2-CZ 3.82Å; T535-Y538 WeakPolarHBondContact O-CA 3.36Å; T535-Y538 PolarHBondContact O-N 2.89Å; K536-Y538 PolarHBondContact O-N 2.97Å
539	E	96.3	Very high	96.6	Very high	9 Å²	9	38 Å²	38	4%	0.042	19%	0.192	C	C	.	.			trans	-83.1	138.5	175	-57	167.2	144.2	0	0	109.1	Y509 R512 H534 T535 A537 M566	Y509-E539 HydrophobicContact CE1-CB 4.21Å; Y509-E539 HydrophobicContact CE1-CG 3.93Å; R512-E539 IonicContact CZ-OE1 3.31Å; R512-E539 IonicContact CZ-OE2 3.07Å; R512-E539 IonicContact NH1-OE1 2.99Å; R512-E539 IonicContact NH1-OE2 2.67Å; R512-E539 PolarHBondContact NH1-OE2 3.36Å; R512-E539 IonicContact NH2-OE1 3.69Å; R512-E539 PolarHBondContact NH2-OE1 2.9Å; R512-E539 IonicContact NH2-OE2 3.41Å; H534-E539 WeakPolarHBondContact CA-O 3.37Å; T535-E539 HydrophobicContact CG2-CB 4.35Å; T535-E539 PolarHBondContact N-O 3.32Å; T535-E539 WeakPolarHBondContact OG1-CB 3.31Å; T535-E539 PolarHBondContact OG1-N 3.31Å; T535-E539 VanDerWaalsContact OG1-N 3.14Å; A537-E539 HydrophobicContact CB-CG 4.12Å; A537-E539 PolarHBondContact O-N 2.97Å; E539-M566 HydrophobicContact CB-CE 3.78Å
540	Q	96.7	Very high	96.7	Very high	80 Å²	80	34.9 Å²	34.9	37%	0.374	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	132.2	-175.1	-71.2	-174.5	-7.7	0	0	112.5	V532 H534 F565 M566	V532-Q540 HydrophobicContact CG1-CB 4.25Å; V532-Q540 HydrophobicContact CG1-CG 4.03Å; H534-Q540 WeakPolarHBondContact NE2-CG 3.45Å; Q540-F565 HydrophobicContact CB-CB 4.17Å; Q540-M566 PolarHBondContact O-N 3.07Å
541	I	97.7	Very high	96.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120	171.4	-48.4	-163.8	0	0	0	109.8	V517 V519 G533 T535 L543 V556 I558 M566	V517-I541 HydrophobicContact CG2-CD1 3.67Å; V519-I541 HydrophobicContact CG1-CD1 3.72Å; V519-I541 HydrophobicContact CG1-CG1 4.17Å; G533-I541 PolarHBondContact N-O 3Å; G533-I541 PolarHBondContact O-N 3.32Å; T535-I541 HydrophobicContact CG2-CD1 3.65Å; T535-I541 HydrophobicContact CG2-CG1 4.07Å; I541-L543 HydrophobicContact CG2-CD2 3.98Å; I541-L543 HydrophobicContact CG2-CG 4.35Å; I541-V556 HydrophobicContact CG2-CG1 4.2Å; I541-I558 HydrophobicContact CD1-CD1 4.19Å; I541-I558 HydrophobicContact CD1-CG1 3.97Å; I541-M566 CarbonylContact C-O 3.59Å; I541-M566 WeakPolarHBondContact CA-O 3.44Å; I541-M566 HydrophobicContact CD1-CE 4.15Å; I541-M566 HydrophobicContact CG1-CB 4.26Å; I541-M566 HydrophobicContact CG1-CE 4.05Å; I541-M566 HydrophobicContact CG2-CB 4.5Å
542	L	98.2	Very high	96.7	Very high	21 Å²	21	35.2 Å²	35.2	11%	0.11	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.5	172	-55.8	-176.3	0	0	0	110	F530 W531 V532 F565 M566 R567 G568	F530-L542 HydrophobicContact CB-CB 4.2Å; F530-L542 HydrophobicContact CB-CD2 4.48Å; F530-L542 HydrophobicContact CG-CB 4.28Å; W531-L542 WeakPolarHBondContact O-CA 3.18Å; V532-L542 HydrophobicContact CG2-CD2 3.87Å; L542-F565 HydrophobicContact CD1-CD2 3.51Å; L542-F565 HydrophobicContact CD1-CE2 3.59Å; L542-F565 HydrophobicContact CD1-CG 4.08Å; L542-F565 HydrophobicContact CD1-CZ 4.2Å; L542-F565 HydrophobicContact CG-CD2 3.79Å; L542-F565 HydrophobicContact CG-CE2 4.35Å; L542-F565 HydrophobicContact CG-CG 4.24Å; L542-M566 PolarHBondContact N-O 2.74Å; L542-R567 HydrophobicContact CB-CG 4.29Å; L542-R567 WeakPolarHBondContact O-CA 3.28Å; L542-G568 PolarHBondContact O-N 2.88Å
543	L	98.3	Very high	96.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	153	-176.7	-62.9	174.5	0	0	0	111.4	V519 I521 F530 W531 I541 K545 V554 V556 I570	V519-L543 HydrophobicContact CG2-CD1 3.83Å; I521-L543 HydrophobicContact CD1-CD1 3.57Å; I521-L543 HydrophobicContact CG1-CD1 3.82Å; F530-L543 WeakPolarHBondContact CA-O 3.38Å; F530-L543 WeakPolarHBondContact CB-O 3.41Å; F530-L543 WeakPolarHBondContact CD1-O 3.26Å; W531-L543 HydrophobicContact CB-CB 4.44Å; W531-L543 PolarHBondContact N-O 3.44Å; W531-L543 PolarHBondContact O-N 3.3Å; I541-L543 HydrophobicContact CG2-CD2 3.98Å; I541-L543 HydrophobicContact CG2-CG 4.35Å; L543-K545 PolarHBondContact O-N 3.03Å; L543-V554 HydrophobicContact CD1-CG2 4.23Å; L543-V556 HydrophobicContact CD1-CG2 3.87Å; L543-V556 HydrophobicContact CD2-CB 4.34Å; L543-V556 HydrophobicContact CD2-CG1 3.62Å; L543-V556 HydrophobicContact CD2-CG2 3.69Å; L543-V556 HydrophobicContact CG-CG2 4.44Å; L543-I570 HydrophobicContact CD1-CG1 4.42Å; L543-I570 HydrophobicContact CD2-CG1 4.33Å
544	P	95.6	Very high	96.7	Very high	67 Å²	67	34.9 Å²	34.9	44%	0.435	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.3	140.5	171.2	-25.8	34.7	0	0	0	111.8	D546	P544-D546 PolarHBondContact O-N 3.35Å
545	K	93.8	Very high	96.7	Very high	101 Å²	101	35.9 Å²	35.9	44%	0.439	18%	0.181	S	C	.	.			trans	-81.6	59.1	-174.4	-159.2	-178.9	-175.3	-177.9	0	112.8	G528 K529 W531 L543	G528-K545 VanDerWaalsContact O-CD 3.27Å; G528-K545 WeakPolarHBondContact O-CD 3.36Å; G528-K545 WeakPolarHBondContact O-CE 3.4Å; G528-K545 PolarHBondContact O-NZ 3.05Å; K529-K545 WeakPolarHBondContact O-CB 3.49Å; W531-K545 HydrophobicContact CD2-CG 3.91Å; W531-K545 HydrophobicContact CG-CG 4.26Å; W531-K545 HydrophobicContact CH2-CG 4.47Å; W531-K545 HydrophobicContact CZ2-CG 3.84Å; L543-K545 PolarHBondContact O-N 3.03Å
546	D	94.4	Very high	96.7	Very high	56 Å²	56	35.9 Å²	35.9	30%	0.299	18%	0.181	S	C	.	.			trans	-76.5	116.7	171.8	176.2	-0.8	0	0	0	109.4	W531 P544 D548 V549	W531-D546 PolarHBondContact NE1-O 2.61Å; P544-D546 PolarHBondContact O-N 3.35Å; D546-D548 PolarHBondContact O-N 2.7Å; D546-D548 WeakPolarHBondContact OD1-CB 3.44Å; D546-D548 PolarHBondContact OD1-N 3.4Å; D546-V549 HydrophobicContact CB-CG2 4.04Å; D546-V549 VanDerWaalsContact O-CG2 3.23Å; D546-V549 WeakPolarHBondContact O-CG2 3.44Å; D546-V549 PolarHBondContact O-N 3.26Å
547	P	92.5	Very high	96.8	Very high	95 Å²	95	40.4 Å²	40.4	62%	0.617	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-62.8	-25.6	-177.8	26.8	-35	0	0	0	113.3	V549 Y550	P547-V549 VanDerWaalsContact C-N 3.27Å; P547-V549 PolarHBondContact O-N 2.84Å; P547-Y550 PolarHBondContact O-N 3.1Å
548	D	95	Very high	96.8	Very high	108 Å²	108	40.5 Å²	40.5	58%	0.578	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-71.9	-23.5	-174.1	-71.5	-25.4	0	0	0	112.5	D546 R552	D546-D548 PolarHBondContact O-N 2.7Å; D546-D548 WeakPolarHBondContact OD1-CB 3.44Å; D546-D548 PolarHBondContact OD1-N 3.4Å; D548-R552 PolarHBondContact O-NE 2.8Å; D548-R552 PolarHBondContact O-NH2 3.31Å
549	V	97.2	Very high	96.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-93.6	-4.8	-177.4	-60.4	0	0	0	0	114.2	I521 D546 P547 G551 R552 V554 I570	I521-V549 HydrophobicContact CD1-CB 4.03Å; I521-V549 HydrophobicContact CD1-CG2 3.63Å; D546-V549 HydrophobicContact CB-CG2 4.04Å; D546-V549 VanDerWaalsContact O-CG2 3.23Å; D546-V549 WeakPolarHBondContact O-CG2 3.44Å; D546-V549 PolarHBondContact O-N 3.26Å; P547-V549 VanDerWaalsContact C-N 3.27Å; P547-V549 PolarHBondContact O-N 2.84Å; V549-G551 PolarHBondContact O-N 2.77Å; V549-R552 WeakPolarHBondContact O-CB 3.46Å; V549-R552 PolarHBondContact O-N 3.11Å; V549-R552 VanDerWaalsContact O-N 3.1Å; V549-V554 HydrophobicContact CB-CG1 3.96Å; V549-V554 HydrophobicContact CG1-CG1 4.08Å; V549-I570 HydrophobicContact CB-CD1 4.36Å; V549-I570 HydrophobicContact CG1-CD1 4.12Å; V549-I570 HydrophobicContact CG2-CD1 3.77Å
550	Y	96.6	Very high	96.8	Very high	66 Å²	66	46.8 Å²	46.8	26%	0.259	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	129.5	-179	-170.1	-117.7	0	0	0	111.1	N245 L247 I521 T522 W531 P547 R552	N245-Y550 PolarHBondContact OD1-OH 2.76Å; L247-Y550 HydrophobicContact CD1-CD1 3.75Å; L247-Y550 HydrophobicContact CD1-CD2 4.31Å; L247-Y550 HydrophobicContact CD1-CE1 3.37Å; L247-Y550 HydrophobicContact CD1-CE2 3.98Å; L247-Y550 HydrophobicContact CD1-CG 4.21Å; L247-Y550 VanDerWaalsContact CD1-CZ 3.5Å; L247-Y550 HydrophobicContact CG-CE1 3.95Å; I521-Y550 HydrophobicContact CG2-CD2 3.94Å; T522-Y550 PolarHBondContact O-OH 3.32Å; W531-Y550 AromaticContact CD2-CD2 3.81Å; W531-Y550 HydrophobicContact CD2-CD2 3.81Å; W531-Y550 HydrophobicContact CD2-CE2 4.39Å; W531-Y550 AromaticContact CE2-CD2 3.96Å; W531-Y550 AromaticContact CE3-CD2 3.52Å; W531-Y550 HydrophobicContact CE3-CD2 3.52Å; W531-Y550 AromaticContact CE3-CE2 3.65Å; W531-Y550 HydrophobicContact CE3-CE2 3.65Å; W531-Y550 AromaticContact CH2-CD2 3.69Å; W531-Y550 HydrophobicContact CH2-CD2 3.69Å; W531-Y550 AromaticContact CH2-CE2 3.96Å; W531-Y550 HydrophobicContact CH2-CE2 3.96Å; W531-Y550 AromaticContact CH2-CG 4Å; W531-Y550 HydrophobicContact CH2-CG 4Å; W531-Y550 AromaticContact CZ2-CD2 3.94Å; W531-Y550 HydrophobicContact CZ2-CD2 3.94Å; W531-Y550 HydrophobicContact CZ2-CG 4.07Å; W531-Y550 AromaticContact CZ3-CD2 3.46Å; W531-Y550 HydrophobicContact CZ3-CD2 3.46Å; W531-Y550 VanDerWaalsContact CZ3-CD2 3.46Å; W531-Y550 AromaticContact CZ3-CE2 3.4Å; W531-Y550 HydrophobicContact CZ3-CE2 3.4Å; W531-Y550 HydrophobicContact CZ3-CG 4.24Å; P547-Y550 PolarHBondContact O-N 3.1Å; Y550-R552 VanDerWaalsContact C-N 3.32Å
551	G	97.3	Very high	96.7	Very high	7 Å²	7	44.1 Å²	44.1	7%	0.072	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	14.2	-175.1	0	0	0	0	0	115.2	L247 K294 I521 V549	L247-G551 VanDerWaalsContact CD1-CA 3.44Å; K294-G551 VanDerWaalsContact CE-O 3.31Å; K294-G551 WeakPolarHBondContact CE-O 3.47Å; I521-G551 WeakPolarHBondContact O-CA 3.25Å; I521-G551 PolarHBondContact O-N 2.92Å; V549-G551 PolarHBondContact O-N 2.77Å
552	R	97.5	Very high	96.5	Very high	92 Å²	92	47.2 Å²	47.2	35%	0.347	24%	0.237	S	C	.	.	S	Bend	trans	-109.9	156.4	176.3	-55.8	-171.2	-172.6	175.1	8.8	111.8	I521 D548 V549 Y550 V554	I521-R552 PolarHBondContact N-O 3.36Å; D548-R552 PolarHBondContact O-NE 2.8Å; D548-R552 PolarHBondContact O-NH2 3.31Å; V549-R552 WeakPolarHBondContact O-CB 3.46Å; V549-R552 PolarHBondContact O-N 3.11Å; V549-R552 VanDerWaalsContact O-N 3.1Å; Y550-R552 VanDerWaalsContact C-N 3.32Å; R552-V554 HydrophobicContact CB-CG1 4.18Å
553	I	98.5	Very high	96.1	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	125.7	160.1	-55	-176	0	0	0	107.7	R518 V519 L520 F576 I579	R518-I553 HydrophobicContact CB-CG2 3.9Å; V519-I553 VanDerWaalsContact O-CA 3.25Å; V519-I553 WeakPolarHBondContact O-CA 3.11Å; L520-I553 HydrophobicContact CB-CG1 4.12Å; L520-I553 HydrophobicContact CD1-CG1 3.89Å; I553-F576 HydrophobicContact CB-CB 4.11Å; I553-F576 WeakPolarHBondContact CB-O 3.4Å; I553-F576 HydrophobicContact CG2-CB 3.94Å; I553-F576 WeakPolarHBondContact O-CD2 3.35Å; I553-F576 PolarHBondContact O-N 3.4Å; I553-I579 HydrophobicContact CD1-CB 4.31Å
554	V	98.2	Very high	95.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	158	-177.5	-61	0	0	0	0	111.2	R518 V519 I521 L543 V549 R552 V556 I570 S573	R518-V554 WeakPolarHBondContact CA-O 3.4Å; V519-V554 HydrophobicContact CG2-CG2 3.9Å; V519-V554 PolarHBondContact N-O 3.48Å; V519-V554 PolarHBondContact O-N 2.95Å; I521-V554 HydrophobicContact CD1-CG1 4.36Å; I521-V554 HydrophobicContact CD1-CG2 3.72Å; I521-V554 HydrophobicContact CG1-CG2 4.17Å; L543-V554 HydrophobicContact CD1-CG2 4.23Å; V549-V554 HydrophobicContact CB-CG1 3.96Å; V549-V554 HydrophobicContact CG1-CG1 4.08Å; R552-V554 HydrophobicContact CB-CG1 4.18Å; V554-V556 HydrophobicContact CG2-CG2 3.83Å; V554-I570 HydrophobicContact CB-CG2 4.37Å; V554-S573 WeakPolarHBondContact CG1-O 3.21Å
555	L	97.9	Very high	95.6	Very high	22 Å²	22	51.5 Å²	51.5	12%	0.115	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.6	172.9	-177	65.1	0	0	0	109.1	E516 R518 I571 D572 F576 F581	E516-L555 HydrophobicContact CB-CD1 4.24Å; R518-L555 HydrophobicContact CG-CD1 4.16Å; L555-I571 HydrophobicContact CD2-CB 4.34Å; L555-I571 HydrophobicContact CD2-CG2 4.29Å; L555-I571 HydrophobicContact CG-CB 4.33Å; L555-I571 PolarHBondContact O-N 2.86Å; L555-D572 HydrophobicContact CB-CB 3.83Å; L555-D572 HydrophobicContact CD2-CB 4.23Å; L555-D572 PolarHBondContact N-O 3.22Å; L555-D572 PolarHBondContact O-N 2.91Å; L555-F576 HydrophobicContact CB-CE2 3.7Å; L555-F576 HydrophobicContact CB-CZ 4.09Å; L555-F581 HydrophobicContact CD1-CE1 3.96Å; L555-F581 HydrophobicContact CD1-CZ 3.67Å
556	V	98.1	Very high	95.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.8	-173.6	174.1	0	0	0	0	109.5	E516 V517 V519 I541 L543 V554 I569	E516-V556 CarbonylContact C-O 3.52Å; E516-V556 VanDerWaalsContact CA-O 3.29Å; E516-V556 WeakPolarHBondContact CA-O 3.47Å; V517-V556 HydrophobicContact CG2-CB 4.22Å; V517-V556 PolarHBondContact N-O 3.04Å; V517-V556 PolarHBondContact O-N 3.28Å; V519-V556 HydrophobicContact CG2-CG2 3.64Å; I541-V556 HydrophobicContact CG2-CG1 4.2Å; L543-V556 HydrophobicContact CD1-CG2 3.87Å; L543-V556 HydrophobicContact CD2-CB 4.34Å; L543-V556 HydrophobicContact CD2-CG1 3.62Å; L543-V556 HydrophobicContact CD2-CG2 3.69Å; L543-V556 HydrophobicContact CG-CG2 4.44Å; V554-V556 HydrophobicContact CG2-CG2 3.83Å; V556-I569 CarbonylContact C-O 3.53Å; V556-I569 VanDerWaalsContact CA-O 3.29Å; V556-I569 WeakPolarHBondContact CA-O 3.45Å
557	R	97.7	Very high	95.9	Very high	100 Å²	100	48 Å²	48	38%	0.377	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.2	163.1	-172.5	175.3	-64.8	162.2	-0.2	109.5	C515 E516 G568 I569 I571	C515-R557 WeakPolarHBondContact O-CA 3.35Å; E516-R557 HydrophobicContact CG-CB 4.37Å; E516-R557 HydrophobicContact CG-CG 4.42Å; E516-R557 IonicContact OE1-CZ 2.69Å; E516-R557 IonicContact OE1-NE 3.72Å; E516-R557 PolarHBondContact OE1-NE 2.83Å; E516-R557 IonicContact OE1-NH2 2.73Å; E516-R557 PolarHBondContact OE1-NH2 3.34Å; R557-G568 CarbonylContact O-C 3.53Å; R557-G568 WeakPolarHBondContact O-CA 3.23Å; R557-I569 HydrophobicContact CB-CG1 4.11Å; R557-I569 PolarHBondContact N-O 3.27Å; R557-I569 PolarHBondContact O-N 2.79Å; R557-I571 HydrophobicContact CB-CD1 3.79Å; R557-I571 HydrophobicContact CB-CG1 3.67Å
558	I	97.9	Very high	96.1	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129	176.5	-61.8	165	0	0	0	108.3	R512 G514 C515 V517 I541 M566	R512-I558 HydrophobicContact CB-CD1 4.05Å; R512-I558 WeakPolarHBondContact O-CB 3.4Å; G514-I558 PolarHBondContact N-O 2.79Å; C515-I558 HydrophobicContact CB-CD1 4.35Å; C515-I558 PolarHBondContact O-N 3.19Å; V517-I558 HydrophobicContact CG1-CD1 4Å; V517-I558 HydrophobicContact CG2-CD1 4.09Å; V517-I558 HydrophobicContact CG2-CG1 4.14Å; I541-I558 HydrophobicContact CD1-CD1 4.19Å; I541-I558 HydrophobicContact CD1-CG1 3.97Å; I558-M566 HydrophobicContact CD1-CE 4.42Å; I558-M566 HydrophobicContact CD1-SD 3.74Å; I558-M566 HydrophobicContact CG1-SD 4.38Å; I558-M566 HydrophobicContact CG2-CB 4.17Å; I558-M566 HydrophobicContact CG2-CG 4.41Å; I558-M566 HydrophobicContact CG2-SD 4.11Å
559	I	97.7	Very high	96.2	Very high	86 Å²	86	42 Å²	42	44%	0.441	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-21.7	-178	57.3	162.6	0	0	0	112.9	R567 I569	I559-R567 HydrophobicContact CG1-CB 4.3Å; I559-R567 VanDerWaalsContact CG1-O 3.31Å; I559-R567 WeakPolarHBondContact CG1-O 3.34Å; I559-R567 PolarHBondContact N-O 3.33Å; I559-I569 HydrophobicContact CD1-CG2 4.1Å; I559-I569 HydrophobicContact CG2-CD1 4.32Å; I559-I569 HydrophobicContact CG2-CG1 4.05Å; I559-I569 HydrophobicContact CG2-CG2 4.42Å
560	E	96.6	Very high	96.3	Very high	77 Å²	77	43.8 Å²	43.8	36%	0.36	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	139.9	-176.5	-171.5	-176.3	174.9	0	0	109.5	M566 R567	E560-M566 CarbonylContact O-C 3.55Å; E560-M566 VanDerWaalsContact O-CA 3.29Å; E560-M566 WeakPolarHBondContact O-CA 3.24Å; E560-R567 HydrophobicContact CB-CB 4.12Å; E560-R567 HydrophobicContact CB-CG 4.47Å; E560-R567 PolarHBondContact N-O 3.3Å; E560-R567 PolarHBondContact O-N 3.33Å; E560-R567 IonicContact OE1-NH1 3.68Å; E560-R567 PolarHBondContact OE1-NH1 2.91Å; E560-R567 WeakPolarHBondContact OE2-CD 3.32Å; E560-R567 IonicContact OE2-CZ 3.39Å; E560-R567 IonicContact OE2-NE 2.98Å; E560-R567 IonicContact OE2-NH1 2.79Å; E560-R567 PolarHBondContact OE2-NH1 3.46Å
561	C	95	Very high	96.3	Very high	24 Å²	24	44.2 Å²	44.2	16%	0.162	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	115	172.4	-62.6	0	0	0	0	109.4	Y509 V513 M566	Y509-C561 PolarHBondContact O-SG 3.41Å; Y509-C561 VanDerWaalsContact O-SG 3.41Å; V513-C561 HydrophobicContact CG2-CB 4.4Å; C561-M566 HydrophobicContact CB-CG 4.35Å
562	D	91.8	Very high	96.3	Very high	66 Å²	66	47.4 Å²	47.4	35%	0.353	22%	0.222	S	C	.	.			trans	-90	-173.9	167.2	-152.9	-64.8	0	0	0	109.3	Y509 F565	Y509-D562 WeakPolarHBondContact CD2-O 3.32Å; D562-F565 CarbonylContact C-O 3.56Å; D562-F565 WeakPolarHBondContact CA-O 3.44Å; D562-F565 HydrophobicContact CB-CD1 4.34Å; D562-F565 HydrophobicContact CB-CD2 4.18Å; D562-F565 HydrophobicContact CB-CE1 4.01Å; D562-F565 HydrophobicContact CB-CE2 3.84Å; D562-F565 HydrophobicContact CB-CG 4.4Å; D562-F565 HydrophobicContact CB-CZ 3.74Å; D562-F565 WeakPolarHBondContact CB-O 3.34Å; D562-F565 PolarHBondContact N-O 3.04Å
563	K	89.8	Confident	96.2	Very high	27 Å²	27	45.3 Å²	45.3	12%	0.117	22%	0.221	C	C	.	.	S	Bend	trans	-70.3	-36.8	177.2	173.9	57.9	-170.6	168.4	0	113	F503 Y506 Y509	F503-K563 WeakPolarHBondContact O-CE 3.32Å; F503-K563 PolarHBondContact O-NZ 3.45Å; Y506-K563 PolarHBondContact O-NZ 3.37Å; Y509-K563 WeakPolarHBondContact CE2-O 3.16Å
564	F	91.3	Very high	96	Very high	106 Å²	106	46.4 Å²	46.4	47%	0.465	23%	0.233	S	C	.	.	S	Bend	trans	-116.9	-10.7	-170	-58	-65.5	0	0	0	114.4	F503	F503-F564 HydrophobicContact CD1-CE1 4.37Å; F503-F564 AromaticContact CE1-CE1 3.62Å; F503-F564 HydrophobicContact CE1-CE1 3.62Å; F503-F564 HydrophobicContact CE1-CZ 4.46Å; F503-F564 HydrophobicContact CZ-CE1 4.07Å
565	F	93.6	Very high	95.7	Very high	45 Å²	45	50.9 Å²	50.9	20%	0.197	26%	0.262	C	S	.	.			trans	-154.4	166.2	179.9	61.2	-91.9	0	0	0	109.5	Q540 L542 D562 R567	Q540-F565 HydrophobicContact CB-CB 4.17Å; L542-F565 HydrophobicContact CD1-CD2 3.51Å; L542-F565 HydrophobicContact CD1-CE2 3.59Å; L542-F565 HydrophobicContact CD1-CG 4.08Å; L542-F565 HydrophobicContact CD1-CZ 4.2Å; L542-F565 HydrophobicContact CG-CD2 3.79Å; L542-F565 HydrophobicContact CG-CE2 4.35Å; L542-F565 HydrophobicContact CG-CG 4.24Å; D562-F565 CarbonylContact C-O 3.56Å; D562-F565 WeakPolarHBondContact CA-O 3.44Å; D562-F565 HydrophobicContact CB-CD1 4.34Å; D562-F565 HydrophobicContact CB-CD2 4.18Å; D562-F565 HydrophobicContact CB-CE1 4.01Å; D562-F565 HydrophobicContact CB-CE2 3.84Å; D562-F565 HydrophobicContact CB-CG 4.4Å; D562-F565 HydrophobicContact CB-CZ 3.74Å; D562-F565 WeakPolarHBondContact CB-O 3.34Å; D562-F565 PolarHBondContact N-O 3.04Å; F565-R567 HydrophobicContact CD2-CG 4.26Å; F565-R567 HydrophobicContact CE2-CG 3.99Å
566	M	96.1	Very high	95.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	162	168	-64	175.9	-81.3	0	0	109.6	Y509 R512 T535 E539 Q540 I541 L542 I558 E560 C561	Y509-M566 HydrophobicContact CD1-CE 4.38Å; Y509-M566 HydrophobicContact CD2-CG 4.16Å; Y509-M566 HydrophobicContact CG-CG 4.19Å; Y509-M566 HydrophobicContact CG-SD 4.28Å; R512-M566 HydrophobicContact CB-SD 3.92Å; R512-M566 HydrophobicContact CG-SD 4.26Å; T535-M566 HydrophobicContact CG2-CE 4.45Å; E539-M566 HydrophobicContact CB-CE 3.78Å; Q540-M566 PolarHBondContact O-N 3.07Å; I541-M566 CarbonylContact C-O 3.59Å; I541-M566 WeakPolarHBondContact CA-O 3.44Å; I541-M566 HydrophobicContact CD1-CE 4.15Å; I541-M566 HydrophobicContact CG1-CB 4.26Å; I541-M566 HydrophobicContact CG1-CE 4.05Å; I541-M566 HydrophobicContact CG2-CB 4.5Å; L542-M566 PolarHBondContact N-O 2.74Å; I558-M566 HydrophobicContact CD1-CE 4.42Å; I558-M566 HydrophobicContact CD1-SD 3.74Å; I558-M566 HydrophobicContact CG1-SD 4.38Å; I558-M566 HydrophobicContact CG2-CB 4.17Å; I558-M566 HydrophobicContact CG2-CG 4.41Å; I558-M566 HydrophobicContact CG2-SD 4.11Å; E560-M566 CarbonylContact O-C 3.55Å; E560-M566 VanDerWaalsContact O-CA 3.29Å; E560-M566 WeakPolarHBondContact O-CA 3.24Å; C561-M566 HydrophobicContact CB-CG 4.35Å
567	R	97.3	Very high	95.4	Very high	83 Å²	83	57.3 Å²	57.3	31%	0.313	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	143.9	165.3	-54.5	-164.3	177.5	124.4	-2.1	109.7	L542 I559 E560 F565	L542-R567 HydrophobicContact CB-CG 4.29Å; L542-R567 WeakPolarHBondContact O-CA 3.28Å; I559-R567 HydrophobicContact CG1-CB 4.3Å; I559-R567 VanDerWaalsContact CG1-O 3.31Å; I559-R567 WeakPolarHBondContact CG1-O 3.34Å; I559-R567 PolarHBondContact N-O 3.33Å; E560-R567 HydrophobicContact CB-CB 4.12Å; E560-R567 HydrophobicContact CB-CG 4.47Å; E560-R567 PolarHBondContact N-O 3.3Å; E560-R567 PolarHBondContact O-N 3.33Å; E560-R567 IonicContact OE1-NH1 3.68Å; E560-R567 PolarHBondContact OE1-NH1 2.91Å; E560-R567 WeakPolarHBondContact OE2-CD 3.32Å; E560-R567 IonicContact OE2-CZ 3.39Å; E560-R567 IonicContact OE2-NE 2.98Å; E560-R567 IonicContact OE2-NH1 2.79Å; E560-R567 PolarHBondContact OE2-NH1 3.46Å; F565-R567 HydrophobicContact CD2-CG 4.26Å; F565-R567 HydrophobicContact CE2-CG 3.99Å
568	G	97.7	Very high	95.3	Very high	4 Å²	4	54.1 Å²	54.1	4%	0.041	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	165.4	-179.4	0	0	0	0	0	113	L542 R557	L542-G568 PolarHBondContact O-N 2.88Å; R557-G568 CarbonylContact O-C 3.53Å; R557-G568 WeakPolarHBondContact O-CA 3.23Å
569	I	97.5	Very high	95.2	Very high	72 Å²	72	54 Å²	54	37%	0.369	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	141.6	166.6	56.3	172.8	0	0	0	109	V556 R557 I559 I571	V556-I569 CarbonylContact C-O 3.53Å; V556-I569 VanDerWaalsContact CA-O 3.29Å; V556-I569 WeakPolarHBondContact CA-O 3.45Å; R557-I569 HydrophobicContact CB-CG1 4.11Å; R557-I569 PolarHBondContact N-O 3.27Å; R557-I569 PolarHBondContact O-N 2.79Å; I559-I569 HydrophobicContact CD1-CG2 4.1Å; I559-I569 HydrophobicContact CG2-CD1 4.32Å; I559-I569 HydrophobicContact CG2-CG1 4.05Å; I559-I569 HydrophobicContact CG2-CG2 4.42Å; I569-I571 HydrophobicContact CD1-CD1 3.85Å; I569-I571 HydrophobicContact CG1-CD1 3.89Å; I569-I571 PolarHBondContact O-N 3.44Å
570	I	98.1	Very high	95	Very high	39 Å²	39	50.7 Å²	50.7	20%	0.2	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.3	175.8	-57.9	175.2	0	0	0	107.6	L543 V549 V554	L543-I570 HydrophobicContact CD1-CG1 4.42Å; L543-I570 HydrophobicContact CD2-CG1 4.33Å; V549-I570 HydrophobicContact CB-CD1 4.36Å; V549-I570 HydrophobicContact CG1-CD1 4.12Å; V549-I570 HydrophobicContact CG2-CD1 3.77Å; V554-I570 HydrophobicContact CB-CG2 4.37Å
571	I	97	Very high	94.8	Very high	74 Å²	74	47.5 Å²	47.5	38%	0.379	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-36.4	176.9	-56.7	-58.6	0	0	0	110.2	L555 R557 I569	L555-I571 HydrophobicContact CD2-CB 4.34Å; L555-I571 HydrophobicContact CD2-CG2 4.29Å; L555-I571 HydrophobicContact CG-CB 4.33Å; L555-I571 PolarHBondContact O-N 2.86Å; R557-I571 HydrophobicContact CB-CD1 3.79Å; R557-I571 HydrophobicContact CB-CG1 3.67Å; I569-I571 HydrophobicContact CD1-CD1 3.85Å; I569-I571 HydrophobicContact CG1-CD1 3.89Å; I569-I571 PolarHBondContact O-N 3.44Å
572	D	97	Very high	94.3	Very high	74 Å²	74	49.5 Å²	49.5	40%	0.396	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	123	174.7	-173.3	-23	0	0	0	109	L555 G574 F576	L555-D572 HydrophobicContact CB-CB 3.83Å; L555-D572 HydrophobicContact CD2-CB 4.23Å; L555-D572 PolarHBondContact N-O 3.22Å; L555-D572 PolarHBondContact O-N 2.91Å; D572-G574 PolarHBondContact O-N 3.03Å; D572-G574 PolarHBondContact OD1-N 3.45Å; D572-F576 HydrophobicContact CB-CE2 4.16Å; D572-F576 HydrophobicContact CB-CZ 3.93Å; D572-F576 WeakPolarHBondContact OD2-CZ 3.44Å
573	S	96.5	Very high	93.5	Very high	49 Å²	49	50.3 Å²	50.3	34%	0.343	27%	0.271	S	S	.	.			trans	-74.5	-0.8	-178.1	-58.2	0	0	0	0	113.9	V554	V554-S573 WeakPolarHBondContact CG1-O 3.21Å
574	G	93.2	Very high	92.2	Very high	26 Å²	26	55.6 Å²	55.6	27%	0.268	30%	0.3	S	S	.	.			trans	62.1	-145	178.6	0	0	0	0	0	112.8	D572	D572-G574 PolarHBondContact O-N 3.03Å; D572-G574 PolarHBondContact OD1-N 3.45Å
575	P	92	Very high	90.1	Very high	93 Å²	93	57.9 Å²	57.9	60%	0.604	32%	0.318	S	S	*	.			cis	-76.4	136.4	6.8	30.1	-34.3	0	0	0	112.6
576	F	95.7	Very high	87.7	Confident	34 Å²	34	59.7 Å²	59.7	15%	0.149	33%	0.329	C	S	.	.			trans	-92.3	144	167.9	-61.7	-72.4	0	0	0	111.5	R518 I553 L555 D572 S578	R518-F576 HydrophobicContact CG-CD2 4.37Å; R518-F576 VanDerWaalsContact CZ-CD1 3.42Å; R518-F576 VanDerWaalsContact NH2-CD1 3.28Å; I553-F576 HydrophobicContact CB-CB 4.11Å; I553-F576 WeakPolarHBondContact CB-O 3.4Å; I553-F576 HydrophobicContact CG2-CB 3.94Å; I553-F576 WeakPolarHBondContact O-CD2 3.35Å; I553-F576 PolarHBondContact O-N 3.4Å; L555-F576 HydrophobicContact CB-CE2 3.7Å; L555-F576 HydrophobicContact CB-CZ 4.09Å; D572-F576 HydrophobicContact CB-CE2 4.16Å; D572-F576 HydrophobicContact CB-CZ 3.93Å; D572-F576 WeakPolarHBondContact OD2-CZ 3.44Å; F576-S578 VanDerWaalsContact C-N 3.26Å; F576-S578 PolarHBondContact O-N 3.06Å
577	D	94	Very high	85.1	Confident	123 Å²	123	67.9 Å²	67.9	66%	0.658	37%	0.371	S	S	*	.	S	Bend	trans	-74.6	-14.6	177.1	-74	-23.6	0	0	0	113.9	A345 G346	A345-D577 HydrophobicContact CB-CB 3.93Å; G346-D577 PolarHBondContact N-O 2.87Å
578	S	95.1	Very high	82.2	Confident	33 Å²	33	67.6 Å²	67.6	23%	0.231	38%	0.382	C	S	.	.			trans	-152.4	141.9	-174.1	176.6	0	0	0	0	111.7	R518 F576 V580	R518-S578 WeakPolarHBondContact CD-O 3.44Å; R518-S578 PolarHBondContact NH1-O 3.26Å; R518-S578 VanDerWaalsContact NH1-O 3.17Å; F576-S578 VanDerWaalsContact C-N 3.26Å; F576-S578 PolarHBondContact O-N 3.06Å; S578-V580 PolarHBondContact O-N 3.31Å; S578-V580 PolarHBondContact OG-N 3Å; S578-V580 PolarHBondContact OG-O 2.99Å; S578-V580 VanDerWaalsContact OG-O 3.09Å
579	I	95.8	Very high	79.4	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	42%	0.418	C	S	.	.	S	Bend	trans	-73	-17.5	172.1	-157.9	168.3	0	0	0	112.3	M348 Y376 R518 H534 T535 K536 I553	M348-I579 HydrophobicContact CE-CG2 3.73Å; M348-I579 HydrophobicContact SD-CB 4.41Å; M348-I579 HydrophobicContact SD-CG2 3.8Å; Y376-I579 HydrophobicContact CE1-CD1 4.17Å; R518-I579 HydrophobicContact CB-CG1 4.22Å; R518-I579 WeakPolarHBondContact CB-O 3.33Å; R518-I579 WeakPolarHBondContact O-CG1 3.36Å; H534-I579 WeakPolarHBondContact O-CD1 3.22Å; T535-I579 VanDerWaalsContact C-CD1 3.41Å; K536-I579 HydrophobicContact CB-CG2 4.23Å; K536-I579 HydrophobicContact CD-CG2 4.31Å; I553-I579 HydrophobicContact CD1-CB 4.31Å
580	V	94	Very high	76.8	Confident	16 Å²	16	78.6 Å²	78.6	10%	0.097	43%	0.426	C	S	.	.	S	Bend	trans	-99.3	138.5	176.5	-178.6	0	0	0	0	109.5	P373 P417 N418 K536 S578	P373-V580 HydrophobicContact CB-CB 4.35Å; P373-V580 HydrophobicContact CB-CG2 4.17Å; P417-V580 HydrophobicContact CB-CB 4.39Å; P417-V580 HydrophobicContact CB-CG1 3.82Å; P417-V580 HydrophobicContact CB-CG2 3.92Å; N418-V580 HydrophobicContact CB-CG1 4.45Å; K536-V580 HydrophobicContact CD-CG2 4.11Å; K536-V580 HydrophobicContact CG-CG2 4.29Å; S578-V580 PolarHBondContact O-N 3.31Å; S578-V580 PolarHBondContact OG-N 3Å; S578-V580 PolarHBondContact OG-O 2.99Å; S578-V580 VanDerWaalsContact OG-O 3.09Å
581	F	92.6	Very high	74.3	Confident	9 Å²	9	83.3 Å²	83.3	4%	0.039	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-70.5	145	174.6	-64.2	-78.5	0	0	0	111.6	N418 L419 P420 R518 L555	N418-F581 HydrophobicContact CB-CB 4.28Å; N418-F581 WeakPolarHBondContact CB-O 3.37Å; N418-F581 PolarHBondContact ND2-O 3.35Å; N418-F581 WeakPolarHBondContact O-CD2 3.3Å; L419-F581 WeakPolarHBondContact O-CB 3.34Å; P420-F581 HydrophobicContact CB-CD1 4.48Å; P420-F581 HydrophobicContact CB-CD2 4.45Å; P420-F581 HydrophobicContact CB-CE1 4.12Å; P420-F581 HydrophobicContact CB-CE2 4.09Å; P420-F581 HydrophobicContact CB-CZ 3.91Å; P420-F581 HydrophobicContact CG-CD2 4.19Å; P420-F581 HydrophobicContact CG-CE1 4.4Å; P420-F581 HydrophobicContact CG-CE2 3.57Å; P420-F581 HydrophobicContact CG-CZ 3.69Å; R518-F581 HydrophobicContact CG-CE1 3.98Å; R518-F581 HydrophobicContact CG-CZ 3.9Å; L555-F581 HydrophobicContact CD1-CE1 3.96Å; L555-F581 HydrophobicContact CD1-CZ 3.67Å
582	P	84.2	Confident	72.2	Confident	67 Å²	67	85.3 Å²	85.3	44%	0.435	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-63.2	150.3	176.1	28.3	-34.1	0	0	0	110.9
583	E	74.9	Confident	70.1	Confident	82 Å²	82	87 Å²	87	38%	0.383	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-66.2	142.8	169	-70	-177.1	-179.4	0	0	109.6	N418 N585 K590	N418-E583 VanDerWaalsContact ND2-CG 3.34Å; N418-E583 WeakPolarHBondContact ND2-CG 3.34Å; E583-N585 PolarHBondContact O-N 3.32Å; E583-K590 IonicContact OE1-NZ 3.51Å; E583-K590 IonicContact OE2-NZ 2.69Å; E583-K590 PolarHBondContact OE2-NZ 2.97Å
584	N	63.1	Low	68.4	Low	138 Å²	138	85.3 Å²	85.3	74%	0.738	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-10.1	-175.3	-77.6	-21.7	0	0	0	115.4
585	N	47.1	Very low	66.7	Low	155 Å²	155	91.3 Å²	91.3	83%	0.829	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.4	7.6	-168	-86.2	-12.5	0	0	0	117.6	E583	E583-N585 PolarHBondContact O-N 3.32Å
586	D	42.8	Very low	65.1	Low	83 Å²	83	88.3 Å²	88.3	44%	0.444	46%	0.455	S	S	.	.			trans	-158.2	102.7	173.1	-140.1	-24.1	0	0	0	113.4	S588	D586-S588 PolarHBondContact O-N 3.49Å; D586-S588 PolarHBondContact OD1-N 2.71Å; D586-S588 PolarHBondContact OD1-OG 3.09Å
587	I	42	Very low	63.4	Low	172 Å²	172	86.9 Å²	86.9	88%	0.882	45%	0.449	S	S	*	.	S	Bend	trans	-78.8	-8	172.6	-65.4	173.2	0	0	0	110.5
588	S	36.8	Very low	61.8	Low	76 Å²	76	83.4 Å²	83.4	53%	0.531	43%	0.434	S	S	.	.	S	Bend	trans	-125.1	102.6	-175.4	57.6	0	0	0	0	113.1	D586	D586-S588 PolarHBondContact O-N 3.49Å; D586-S588 PolarHBondContact OD1-N 2.71Å; D586-S588 PolarHBondContact OD1-OG 3.09Å
589	K	38.8	Very low	60.1	Low	183 Å²	183	86 Å²	86	80%	0.796	45%	0.452	S	S	*	.			trans	74.5	37.6	152.3	-48.9	176.5	177.1	178.6	0	118.7	H591	K589-H591 PolarHBondContact O-N 3.05Å
590	K	41.5	Very low	58.4	Low	125 Å²	125	87.4 Å²	87.4	54%	0.543	46%	0.459	S	S	.	.			trans	-67.1	90.1	136.7	-79.9	-174.4	-177.9	173.6	0	105.8	E583 F592	E583-K590 IonicContact OE1-NZ 3.51Å; E583-K590 IonicContact OE2-NZ 2.69Å; E583-K590 PolarHBondContact OE2-NZ 2.97Å; K590-F592 PolarHBondContact O-N 3.15Å
591	H	45.9	Very low	56.6	Low	138 Å²	138	90.1 Å²	90.1	64%	0.639	48%	0.475	S	S	*	.			trans	-47.7	118.2	155.2	-89.9	-115.6	0	0	0	104.3	K589 N593	K589-H591 PolarHBondContact O-N 3.05Å; H591-N593 WeakPolarHBondContact CB-OD1 3.43Å; H591-N593 PolarHBondContact O-N 3.31Å
592	F	52.7	Low	55.2	Low	116 Å²	116	96.7 Å²	96.7	51%	0.509	51%	0.506	S	S	.	.			trans	-65.8	76	167.6	-79.8	-88.5	0	0	0	105.8	P373 K590 L594	P373-F592 HydrophobicContact CG-CD1 3.55Å; P373-F592 HydrophobicContact CG-CD2 3.68Å; P373-F592 HydrophobicContact CG-CE1 3.33Å; P373-F592 HydrophobicContact CG-CE2 3.48Å; P373-F592 VanDerWaalsContact CG-CE2 3.48Å; P373-F592 HydrophobicContact CG-CG 3.72Å; P373-F592 HydrophobicContact CG-CZ 3.29Å; K590-F592 PolarHBondContact O-N 3.15Å; F592-L594 PolarHBondContact O-N 3.17Å
593	N	54	Low	54	Low	108 Å²	108	97.2 Å²	97.2	58%	0.578	50%	0.501	S	S	*	.			trans	-74	117	177.5	-81.1	-21.6	0	0	0	104.6	H591 L595	H591-N593 WeakPolarHBondContact CB-OD1 3.43Å; H591-N593 PolarHBondContact O-N 3.31Å; N593-L595 PolarHBondContact O-N 3.46Å
594	L	61.1	Low	52.9	Low	15 Å²	15	99.2 Å²	99.2	8%	0.079	52%	0.519	C	S	.	.			trans	-68.3	95	162.2	-55	164.3	0	0	0	105.3	V340 E368 V369 H372 F592 S596 L597	V340-L594 HydrophobicContact CB-CD1 4.29Å; V340-L594 HydrophobicContact CG1-CD1 4.28Å; E368-L594 HydrophobicContact CG-CB 4.31Å; E368-L594 HydrophobicContact CG-CD2 3.8Å; E368-L594 VanDerWaalsContact OE1-C 3.31Å; E368-L594 WeakPolarHBondContact OE1-CA 3.31Å; E368-L594 VanDerWaalsContact OE2-C 3.3Å; E368-L594 WeakPolarHBondContact OE2-CA 3.33Å; V369-L594 HydrophobicContact CG2-CD1 4.46Å; V369-L594 HydrophobicContact CG2-CD2 4.45Å; H372-L594 HydrophobicContact CB-CD2 4.21Å; F592-L594 PolarHBondContact O-N 3.17Å; L594-S596 VanDerWaalsContact C-N 3.26Å; L594-S596 PolarHBondContact O-N 3.41Å; L594-L597 HydrophobicContact CB-CB 3.58Å; L594-L597 HydrophobicContact CB-CD1 4.38Å; L594-L597 HydrophobicContact CB-CG 4.42Å; L594-L597 HydrophobicContact CD1-CB 4.01Å; L594-L597 HydrophobicContact CD1-CD1 4.02Å; L594-L597 HydrophobicContact CG-CB 4.42Å; L594-L597 CarbonylContact O-C 3.58Å; L594-L597 WeakPolarHBondContact O-CA 3.4Å; L594-L597 PolarHBondContact O-N 3.34Å
595	L	56.5	Low	52	Low	151 Å²	151	99.8 Å²	99.8	79%	0.791	52%	0.521	S	S	*	.	S	Bend	trans	-57.6	-38.6	-176.8	-71.2	159.7	0	0	0	111.9	E368 N593	E368-L595 WeakPolarHBondContact OE1-CB 3.3Å; E368-L595 PolarHBondContact OE1-N 2.8Å; E368-L595 PolarHBondContact OE2-N 3.47Å; N593-L595 PolarHBondContact O-N 3.46Å
596	S	58	Low	51.5	Low	30 Å²	30	100.5 Å²	100.5	21%	0.21	52%	0.52	C	S	.	.	S	Bend	trans	-82.1	-14.6	173.2	71.4	0	0	0	0	113.1	E365 E368 L594 P598	E365-S596 WeakPolarHBondContact CA-OG 3.29Å; E368-S596 WeakPolarHBondContact OE2-CA 3.31Å; E368-S596 VanDerWaalsContact OE2-CB 3.26Å; E368-S596 WeakPolarHBondContact OE2-CB 3.48Å; E368-S596 PolarHBondContact OE2-N 2.82Å; E368-S596 PolarHBondContact OE2-OG 2.9Å; L594-S596 VanDerWaalsContact C-N 3.26Å; L594-S596 PolarHBondContact O-N 3.41Å; S596-P598 VanDerWaalsContact C-CD 3.41Å; S596-P598 WeakPolarHBondContact O-CD 3.48Å
597	L	61	Low	51.3	Low	4 Å²	4	102 Å²	102	2%	0.021	53%	0.534	C	S	.	.	S	Bend	trans	-123	66.9	174.3	-57.8	163.3	0	0	0	111.6	L322 A333 A337 E365 V369 L594 S599	L322-L597 HydrophobicContact CD1-CD2 3.82Å; A333-L597 HydrophobicContact CB-CD2 3.84Å; A337-L597 HydrophobicContact CB-CB 3.99Å; A337-L597 HydrophobicContact CB-CD2 4.23Å; E365-L597 HydrophobicContact CB-CD1 4.1Å; E365-L597 HydrophobicContact CB-CD2 3.91Å; E365-L597 HydrophobicContact CB-CG 4.01Å; E365-L597 HydrophobicContact CG-CD2 3.86Å; E365-L597 HydrophobicContact CG-CG 4.16Å; V369-L597 HydrophobicContact CG2-CD1 3.26Å; L594-L597 HydrophobicContact CB-CB 3.58Å; L594-L597 HydrophobicContact CB-CD1 4.38Å; L594-L597 HydrophobicContact CB-CG 4.42Å; L594-L597 HydrophobicContact CD1-CB 4.01Å; L594-L597 HydrophobicContact CD1-CD1 4.02Å; L594-L597 HydrophobicContact CG-CB 4.42Å; L594-L597 CarbonylContact O-C 3.58Å; L594-L597 WeakPolarHBondContact O-CA 3.4Å; L594-L597 PolarHBondContact O-N 3.34Å; L597-S599 PolarHBondContact O-N 3.36Å
598	P	60.2	Low	51	Low	51 Å²	51	98.1 Å²	98.1	33%	0.331	52%	0.522	S	S	.	.			trans	-52.8	145.8	174.1	21.1	-30.2	0	0	0	109.9	P320 S596 L600	P320-P598 HydrophobicContact CG-CG 4.29Å; S596-P598 VanDerWaalsContact C-CD 3.41Å; S596-P598 WeakPolarHBondContact O-CD 3.48Å; P598-L600 PolarHBondContact O-N 2.93Å
599	S	60.2	Low	51.1	Low	87 Å²	87	104.7 Å²	104.7	61%	0.608	54%	0.541	S	S	*	.			trans	-45.2	134.1	-178.5	51.1	0	0	0	0	111	L597 V601	L597-S599 PolarHBondContact O-N 3.36Å; S599-V601 WeakPolarHBondContact O-CG2 3.26Å; S599-V601 PolarHBondContact O-N 2.92Å
600	L	58.2	Low	51	Low	29 Å²	29	99.2 Å²	99.2	15%	0.152	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-52.3	125.5	177.2	-67.4	178.1	0	0	0	109.9	L317 I318 C319 A337 G338 P598	L317-L600 HydrophobicContact CB-CB 3.96Å; L317-L600 HydrophobicContact CB-CD1 3.7Å; L317-L600 HydrophobicContact CB-CD2 4.26Å; L317-L600 HydrophobicContact CB-CG 4.18Å; L317-L600 HydrophobicContact CD1-CD1 3.78Å; L317-L600 HydrophobicContact CD2-CB 3.92Å; L317-L600 HydrophobicContact CG-CB 4.39Å; L317-L600 HydrophobicContact CG-CD1 4.19Å; I318-L600 WeakPolarHBondContact O-CD2 3.38Å; C319-L600 HydrophobicContact CB-CD2 4.41Å; A337-L600 HydrophobicContact CB-CD2 3.92Å; A337-L600 HydrophobicContact CB-CG 4.06Å; G338-L600 VanDerWaalsContact N-CD1 3.31Å; P598-L600 PolarHBondContact O-N 2.93Å
601	V	57.6	Low	50.9	Low	73 Å²	73	98.5 Å²	98.5	44%	0.442	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.1	176.7	-169.7	0	0	0	0	107.6	I318 S599 K603	I318-V601 PolarHBondContact N-O 3.41Å; I318-V601 PolarHBondContact O-N 3.45Å; S599-V601 WeakPolarHBondContact O-CG2 3.26Å; S599-V601 PolarHBondContact O-N 2.92Å; V601-K603 PolarHBondContact O-N 3.38Å
602	E	61.9	Low	50.9	Low	147 Å²	147	102 Å²	102	69%	0.687	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	129.4	167.9	-77.4	-176.6	177.2	0	0	108.9	S316 L317 T604	S316-E602 WeakPolarHBondContact O-CA 3.29Å; L317-E602 HydrophobicContact CD2-CG 4.35Å; E602-T604 PolarHBondContact O-N 2.65Å
603	K	59.9	Low	50.7	Low	78 Å²	78	100.3 Å²	100.3	34%	0.339	54%	0.54	S	S	.	.			trans	-52.2	113.5	173.4	-77.7	176	-178.8	144.7	0	109	R312 T313 S315 S316 I318 V601 I605	R312-K603 PolarHBondContact O-NZ 2.75Å; T313-K603 VanDerWaalsContact C-NZ 3.34Å; T313-K603 VanDerWaalsContact CA-NZ 3.34Å; T313-K603 PolarHBondContact O-NZ 3.19Å; S315-K603 PolarHBondContact O-NZ 2.5Å; S316-K603 PolarHBondContact O-N 3.38Å; I318-K603 HydrophobicContact CD1-CG 4.27Å; I318-K603 HydrophobicContact CG2-CG 4.39Å; V601-K603 PolarHBondContact O-N 3.38Å; K603-I605 PolarHBondContact O-N 2.96Å
604	T	52.6	Low	50.5	Low	124 Å²	124	98.2 Å²	98.2	76%	0.761	53%	0.531	S	S	*	.			trans	-67.9	102.1	169	-39.2	0	0	0	0	106.4	E602 Q606	E602-T604 PolarHBondContact O-N 2.65Å; T604-Q606 PolarHBondContact O-N 2.97Å
605	I	43.6	Very low	49.8	Very low	151 Å²	151	103.9 Å²	103.9	77%	0.774	56%	0.558	S	S	*	*			trans	-64.6	93.7	171.3	-56.9	173.7	0	0	0	105.7	K603 P607	K603-I605 PolarHBondContact O-N 2.96Å; I605-P607 WeakPolarHBondContact O-CD 3.42Å
606	Q	36.5	Very low	49.7	Very low	170 Å²	170	99.8 Å²	99.8	79%	0.794	55%	0.546	S	S	*	.			trans	-64.6	119.4	162.2	-75.9	-158.6	-16.9	0	0	105.7	T604 S608	T604-Q606 PolarHBondContact O-N 2.97Å; Q606-S608 PolarHBondContact O-N 3.28Å
607	P	38.2	Very low	49.6	Very low	114 Å²	114	105.8 Å²	105.8	74%	0.74	57%	0.569	S	S	*	*			trans	-55.9	117.6	178.9	20.9	-30.1	0	0	0	107.2	I605 K609	I605-P607 WeakPolarHBondContact O-CD 3.42Å; P607-K609 PolarHBondContact O-N 3.37Å
608	S	36.9	Very low	49.5	Very low	90 Å²	90	113.5 Å²	113.5	63%	0.629	60%	0.599	S	S	*	*			trans	-49.4	115.8	178.6	51.5	0	0	0	0	108	Q606 S610	Q606-S608 PolarHBondContact O-N 3.28Å; S608-S610 PolarHBondContact O-N 3.41Å
609	K	38.8	Very low	49.4	Very low	214 Å²	214	117.1 Å²	117.1	93%	0.93	61%	0.613	S	S	*	*			trans	-69.5	68	165.9	-77.1	-174.8	178.8	176.9	0	108.3	P607	P607-K609 PolarHBondContact O-N 3.37Å
610	S	35.5	Very low	49.7	Very low	69 Å²	69	114.5 Å²	114.5	48%	0.483	60%	0.6	S	S	.	*			trans	-132.8	116	169.8	59.4	0	0	0	0	108.1	S608	S608-S610 PolarHBondContact O-N 3.41Å
611	N	39.8	Very low	50.2	Low	109 Å²	109	120.9 Å²	120.9	58%	0.583	62%	0.623	S	S	*	*			trans	87	33	152.3	-57.6	-12.1	0	0	0	119.4	S613 T614 M615	N611-S613 PolarHBondContact O-N 3.33Å; N611-T614 WeakPolarHBondContact CB-OG1 3.38Å; N611-T614 PolarHBondContact O-N 3.43Å; N611-T614 VanDerWaalsContact O-N 3.11Å; N611-M615 PolarHBondContact O-N 2.72Å
612	Y	45.4	Very low	50.5	Low	212 Å²	212	123 Å²	123	83%	0.831	63%	0.629	S	S	*	*	H	α-helix	trans	-53.7	-28.2	154.4	-82	-79.2	0	0	0	111.9	A616	Y612-A616 WeakPolarHBondContact O-CB 3.38Å; Y612-A616 PolarHBondContact O-N 3.26Å
613	S	49.2	Very low	50.9	Low	81 Å²	81	121.2 Å²	121.2	57%	0.566	62%	0.624	S	S	*	*	H	α-helix	trans	-65.2	-42.1	174.9	-177.9	0	0	0	0	112.7	N611 F617	N611-S613 PolarHBondContact O-N 3.33Å; S613-F617 WeakPolarHBondContact O-CD2 3.4Å; S613-F617 PolarHBondContact O-N 3.31Å; S613-F617 VanDerWaalsContact O-N 3.14Å
614	T	49.8	Very low	51.4	Low	64 Å²	64	123.5 Å²	123.5	39%	0.393	64%	0.639	S	S	.	*	H	α-helix	trans	-75.4	-39.9	-177	-32.3	0	0	0	0	111.7	N611 F617 Y618	N611-T614 WeakPolarHBondContact CB-OG1 3.38Å; N611-T614 PolarHBondContact O-N 3.43Å; N611-T614 VanDerWaalsContact O-N 3.11Å; T614-F617 PolarHBondContact O-N 3.49Å; T614-Y618 HydrophobicContact CG2-CD2 4.2Å; T614-Y618 HydrophobicContact CG2-CE2 4.02Å; T614-Y618 VanDerWaalsContact O-CD2 3.3Å; T614-Y618 WeakPolarHBondContact O-CD2 3.42Å; T614-Y618 PolarHBondContact O-N 2.69Å
615	M	46.1	Very low	52.3	Low	134 Å²	134	121.1 Å²	121.1	66%	0.66	62%	0.621	S	S	*	*	H	α-helix	trans	-64.1	-39	173.6	-95.1	-74.4	-142.6	0	0	112.5	N611 F617 Y618 M619	N611-M615 PolarHBondContact O-N 2.72Å; M615-F617 VanDerWaalsContact C-N 3.31Å; M615-F617 PolarHBondContact O-N 3.25Å; M615-Y618 PolarHBondContact O-N 2.82Å; M615-M619 WeakPolarHBondContact O-CB 3.27Å; M615-M619 PolarHBondContact O-N 2.94Å
616	A	53.8	Low	53.4	Low	65 Å²	65	118.5 Å²	118.5	54%	0.537	61%	0.607	S	S	.	*	H	α-helix	trans	-64	-36.8	175.2	0	0	0	0	0	112.1	Y612 G620	Y612-A616 WeakPolarHBondContact O-CB 3.38Å; Y612-A616 PolarHBondContact O-N 3.26Å; A616-G620 PolarHBondContact O-N 3.01Å
617	F	57.6	Low	54.8	Low	155 Å²	155	112.8 Å²	112.8	68%	0.68	59%	0.589	S	S	*	*	H	α-helix	trans	-65.1	-45.7	173.7	-101.9	-84.4	0	0	0	112.4	S613 T614 M615 G620 Y621	S613-F617 WeakPolarHBondContact O-CD2 3.4Å; S613-F617 PolarHBondContact O-N 3.31Å; S613-F617 VanDerWaalsContact O-N 3.14Å; T614-F617 PolarHBondContact O-N 3.49Å; M615-F617 VanDerWaalsContact C-N 3.31Å; M615-F617 PolarHBondContact O-N 3.25Å; F617-G620 PolarHBondContact O-N 3.49Å; F617-Y621 WeakPolarHBondContact O-CB 3.46Å; F617-Y621 PolarHBondContact O-N 2.82Å
618	Y	57.1	Low	56.2	Low	166 Å²	166	109.4 Å²	109.4	65%	0.651	58%	0.575	S	S	*	*	H	α-helix	trans	-67.1	-39.9	178.5	-84.8	-74.4	0	0	0	112.9	T614 M615 Y621 M622	T614-Y618 HydrophobicContact CG2-CD2 4.2Å; T614-Y618 HydrophobicContact CG2-CE2 4.02Å; T614-Y618 VanDerWaalsContact O-CD2 3.3Å; T614-Y618 WeakPolarHBondContact O-CD2 3.42Å; T614-Y618 PolarHBondContact O-N 2.69Å; M615-Y618 PolarHBondContact O-N 2.82Å; Y618-Y621 PolarHBondContact O-N 2.86Å; Y618-M622 PolarHBondContact O-N 2.87Å
619	M	58.3	Low	57.5	Low	127 Å²	127	109.2 Å²	109.2	63%	0.626	57%	0.566	S	S	*	*	H	α-helix	trans	-66.5	-41.8	174.4	-81.6	-124.4	161	0	0	112	M615 Y621 M622 I623	M615-M619 WeakPolarHBondContact O-CB 3.27Å; M615-M619 PolarHBondContact O-N 2.94Å; M619-Y621 VanDerWaalsContact C-N 3.31Å; M619-Y621 PolarHBondContact O-N 3.25Å; M619-M622 PolarHBondContact O-N 3.42Å; M619-I623 VanDerWaalsContact O-CG1 3.24Å; M619-I623 WeakPolarHBondContact O-CG1 3.26Å; M619-I623 PolarHBondContact O-N 2.86Å
620	G	67	Low	58.3	Low	33 Å²	33	103 Å²	103	34%	0.34	55%	0.548	S	S	.	.	H	α-helix	trans	-60.1	-41.1	174.6	0	0	0	0	0	112.5	A616 F617 I623 L624	A616-G620 PolarHBondContact O-N 3.01Å; F617-G620 PolarHBondContact O-N 3.49Å; G620-I623 PolarHBondContact O-N 2.95Å; G620-L624 PolarHBondContact O-N 2.99Å; G620-L624 VanDerWaalsContact O-N 3.12Å
621	Y	68.3	Low	59.4	Low	163 Å²	163	104 Å²	104	64%	0.639	56%	0.556	S	S	*	*	H	α-helix	trans	-68.4	-41.6	178	-139.9	-93.6	0	0	0	112.3	F617 Y618 M619 L624 I625	F617-Y621 WeakPolarHBondContact O-CB 3.46Å; F617-Y621 PolarHBondContact O-N 2.82Å; Y618-Y621 PolarHBondContact O-N 2.86Å; M619-Y621 VanDerWaalsContact C-N 3.31Å; M619-Y621 PolarHBondContact O-N 3.25Å; Y621-L624 PolarHBondContact O-N 3.35Å; Y621-I625 HydrophobicContact CD1-CD1 3.74Å; Y621-I625 HydrophobicContact CD1-CG1 4.31Å; Y621-I625 HydrophobicContact CE1-CD1 4.12Å; Y621-I625 WeakPolarHBondContact O-CG1 3.24Å; Y621-I625 PolarHBondContact O-N 3.12Å
622	M	64.1	Low	60.1	Low	116 Å²	116	102.3 Å²	102.3	57%	0.571	56%	0.557	S	S	*	*	H	α-helix	trans	-64.9	-39.4	175.5	-88.4	-68.2	-177.2	0	0	112.5	Y618 M619 L624 I625 I626	Y618-M622 PolarHBondContact O-N 2.87Å; M619-M622 PolarHBondContact O-N 3.42Å; M622-L624 VanDerWaalsContact C-N 3.34Å; M622-L624 PolarHBondContact O-N 2.92Å; M622-I625 PolarHBondContact O-N 3.42Å; M622-I626 WeakPolarHBondContact O-CB 3.24Å; M622-I626 VanDerWaalsContact O-CG1 3.24Å; M622-I626 WeakPolarHBondContact O-CG1 3.36Å; M622-I626 PolarHBondContact O-N 3.49Å
623	I	70.8	Confident	60.3	Low	111 Å²	111	97.8 Å²	97.8	57%	0.569	55%	0.546	S	S	*	.	H	α-helix	trans	-64.7	-40	176.8	-68.4	165.7	0	0	0	110.8	M619 G620 I626 A627	M619-I623 VanDerWaalsContact O-CG1 3.24Å; M619-I623 WeakPolarHBondContact O-CG1 3.26Å; M619-I623 PolarHBondContact O-N 2.86Å; G620-I623 PolarHBondContact O-N 2.95Å; I623-I626 PolarHBondContact O-N 2.69Å; I623-A627 VanDerWaalsContact O-CB 3.24Å; I623-A627 WeakPolarHBondContact O-CB 3.43Å; I623-A627 PolarHBondContact O-N 2.9Å
624	L	70.8	Confident	60	Low	125 Å²	125	102.9 Å²	102.9	65%	0.654	56%	0.558	S	S	*	*	H	α-helix	trans	-65.3	-40.5	175.1	-85	158.6	0	0	0	112.4	G620 Y621 M622 G628	G620-L624 PolarHBondContact O-N 2.99Å; G620-L624 VanDerWaalsContact O-N 3.12Å; Y621-L624 PolarHBondContact O-N 3.35Å; M622-L624 VanDerWaalsContact C-N 3.34Å; M622-L624 PolarHBondContact O-N 2.92Å; L624-G628 PolarHBondContact O-N 2.99Å
625	I	71.7	Confident	59.5	Low	75 Å²	75	108.5 Å²	108.5	39%	0.385	58%	0.577	S	S	.	*	H	α-helix	trans	-64.2	-47.8	175.5	-70.7	170.4	0	0	0	110.4	Y621 M622 A627 G628 I629	Y621-I625 HydrophobicContact CD1-CD1 3.74Å; Y621-I625 HydrophobicContact CD1-CG1 4.31Å; Y621-I625 HydrophobicContact CE1-CD1 4.12Å; Y621-I625 WeakPolarHBondContact O-CG1 3.24Å; Y621-I625 PolarHBondContact O-N 3.12Å; M622-I625 PolarHBondContact O-N 3.42Å; I625-A627 PolarHBondContact O-N 2.99Å; I625-G628 PolarHBondContact O-N 2.76Å; I625-I629 HydrophobicContact CG2-CD1 3.56Å; I625-I629 HydrophobicContact CG2-CG1 4.32Å; I625-I629 WeakPolarHBondContact O-CB 3.44Å; I625-I629 VanDerWaalsContact O-CG1 3.23Å; I625-I629 WeakPolarHBondContact O-CG1 3.33Å; I625-I629 PolarHBondContact O-N 3.11Å
626	I	65.7	Low	59.1	Low	95 Å²	95	107.7 Å²	107.7	49%	0.487	58%	0.58	S	S	.	*	H	α-helix	trans	-64.3	-42	179.6	-66.8	166.6	0	0	0	110.5	M622 I623 G628 I629 C630	M622-I626 WeakPolarHBondContact O-CB 3.24Å; M622-I626 VanDerWaalsContact O-CG1 3.24Å; M622-I626 WeakPolarHBondContact O-CG1 3.36Å; M622-I626 PolarHBondContact O-N 3.49Å; I623-I626 PolarHBondContact O-N 2.69Å; I626-G628 VanDerWaalsContact C-N 3.33Å; I626-G628 PolarHBondContact O-N 2.66Å; I626-I629 PolarHBondContact O-N 3.23Å; I626-C630 VanDerWaalsContact O-CB 3.32Å; I626-C630 WeakPolarHBondContact O-CB 3.47Å; I626-C630 PolarHBondContact O-N 3.28Å; I626-C630 PolarHBondContact O-SG 3.14Å; I626-C630 VanDerWaalsContact O-SG 3.33Å
627	A	65.1	Low	58.3	Low	50 Å²	50	111.5 Å²	111.5	41%	0.413	59%	0.592	S	S	.	*	H	α-helix	trans	-64.4	-36.8	176.2	0	0	0	0	0	112.5	I623 I625 S631	I623-A627 VanDerWaalsContact O-CB 3.24Å; I623-A627 WeakPolarHBondContact O-CB 3.43Å; I623-A627 PolarHBondContact O-N 2.9Å; I625-A627 PolarHBondContact O-N 2.99Å; A627-S631 WeakPolarHBondContact O-CB 3.37Å; A627-S631 PolarHBondContact O-N 2.8Å; A627-S631 PolarHBondContact O-OG 2.94Å
628	G	68	Low	57.2	Low	43 Å²	43	112 Å²	112	44%	0.443	60%	0.6	S	S	.	*	H	α-helix	trans	-65.1	-44.7	172.5	0	0	0	0	0	112.3	L624 I625 I626 S631 A632	L624-G628 PolarHBondContact O-N 2.99Å; I625-G628 PolarHBondContact O-N 2.76Å; I626-G628 VanDerWaalsContact C-N 3.33Å; I626-G628 PolarHBondContact O-N 2.66Å; G628-S631 PolarHBondContact O-N 3.18Å; G628-A632 WeakPolarHBondContact O-CB 3.35Å; G628-A632 PolarHBondContact O-N 3.05Å
629	I	64.6	Low	56.2	Low	87 Å²	87	112 Å²	112	45%	0.446	61%	0.612	S	S	.	*	H	α-helix	trans	-66.4	-44.1	178	-68.9	169.3	0	0	0	111	I625 I626 S631 A632 L633	I625-I629 HydrophobicContact CG2-CD1 3.56Å; I625-I629 HydrophobicContact CG2-CG1 4.32Å; I625-I629 WeakPolarHBondContact O-CB 3.44Å; I625-I629 VanDerWaalsContact O-CG1 3.23Å; I625-I629 WeakPolarHBondContact O-CG1 3.33Å; I625-I629 PolarHBondContact O-N 3.11Å; I626-I629 PolarHBondContact O-N 3.23Å; I629-S631 VanDerWaalsContact C-N 3.33Å; I629-S631 PolarHBondContact O-N 3.46Å; I629-A632 PolarHBondContact O-N 3.34Å; I629-L633 HydrophobicContact CG2-CD1 3.56Å; I629-L633 HydrophobicContact CG2-CG 4.37Å; I629-L633 WeakPolarHBondContact O-CB 3.21Å; I629-L633 WeakPolarHBondContact O-CG 3.47Å; I629-L633 PolarHBondContact O-N 3.06Å
630	C	55	Low	55	Low	82 Å²	82	113.1 Å²	113.1	55%	0.554	62%	0.62	S	S	*	*	H	α-helix	trans	-66.4	-33.1	177.3	-73.3	0	0	0	0	112.5	I626	I626-C630 VanDerWaalsContact O-CB 3.32Å; I626-C630 WeakPolarHBondContact O-CB 3.47Å; I626-C630 PolarHBondContact O-N 3.28Å; I626-C630 PolarHBondContact O-SG 3.14Å; I626-C630 VanDerWaalsContact O-SG 3.33Å
631	S	58.7	Low	53.4	Low	92 Å²	92	122.7 Å²	122.7	64%	0.643	65%	0.647	S	S	*	*	H	α-helix	trans	-71.6	-33.6	173.9	-62	0	0	0	0	112.1	A627 G628 I629	A627-S631 WeakPolarHBondContact O-CB 3.37Å; A627-S631 PolarHBondContact O-N 2.8Å; A627-S631 PolarHBondContact O-OG 2.94Å; G628-S631 PolarHBondContact O-N 3.18Å; I629-S631 VanDerWaalsContact C-N 3.33Å; I629-S631 PolarHBondContact O-N 3.46Å
632	A	55.6	Low	51.9	Low	73 Å²	73	124.8 Å²	124.8	60%	0.603	66%	0.66	S	S	*	*	H	α-helix	trans	-75.7	-31	177	0	0	0	0	0	112.9	G628 I629 K634	G628-A632 WeakPolarHBondContact O-CB 3.35Å; G628-A632 PolarHBondContact O-N 3.05Å; I629-A632 PolarHBondContact O-N 3.34Å; A632-K634 VanDerWaalsContact C-N 3.31Å; A632-K634 PolarHBondContact O-N 2.98Å
633	L	49.3	Very low	50.6	Low	117 Å²	117	125.2 Å²	125.2	61%	0.613	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	31.1	-177	-69.6	171.5	0	0	0	113.9	I629 F635	I629-L633 HydrophobicContact CG2-CD1 3.56Å; I629-L633 HydrophobicContact CG2-CG 4.37Å; I629-L633 WeakPolarHBondContact O-CB 3.21Å; I629-L633 WeakPolarHBondContact O-CG 3.47Å; I629-L633 PolarHBondContact O-N 3.06Å; L633-F635 PolarHBondContact O-N 3.5Å
634	K	42.5	Very low	48.9	Very low	188 Å²	188	130.6 Å²	130.6	82%	0.817	69%	0.688	S	S	*	*			trans	-66.7	63.7	156.2	-81.5	-173.8	175.9	179.1	0	110	A632	A632-K634 VanDerWaalsContact C-N 3.31Å; A632-K634 PolarHBondContact O-N 2.98Å
635	F	39.5	Very low	47.1	Very low	181 Å²	181	129 Å²	129	79%	0.794	69%	0.688	S	S	*	*			trans	-105.8	109.9	162.6	-94.4	-85.2	0	0	0	107.6	L633	L633-F635 PolarHBondContact O-N 3.5Å
636	T	38.2	Very low	45.1	Very low	117 Å²	117	133.9 Å²	133.9	72%	0.718	71%	0.708	S	S	*	*			trans	-26.7	137.2	167	46.8	0	0	0	0	116.4
637	D	35.6	Very low	43.9	Very low	145 Å²	145	139.7 Å²	139.7	78%	0.775	75%	0.749	S	S	*	*			trans	48.6	112	150.8	-73.6	-34.1	0	0	0	118.4
638	L	34.6	Very low	42.8	Very low	165 Å²	165	144.2 Å²	144.2	86%	0.864	77%	0.766	S	S	*	*				-168	115.1	128.5	-101.8	143.2	0	0	0	112.1	L640	L638-L640 PolarHBondContact O-N 3.19Å; L638-L640 VanDerWaalsContact O-N 3.14Å
639	D	36.3	Very low	41.5	Very low	166 Å²	166	149.5 Å²	149.5	89%	0.888	78%	0.783	S	S	*	*			trans	-51.9	97.3	171.6	-78	-51.3	0	0	0	114
640	L	33.8	Very low	40.2	Very low	152 Å²	152	153 Å²	153	80%	0.796	80%	0.801	S	S	*	*			trans	-120.4	29.2	173.3	-111.2	152	0	0	0	113.7	L638	L638-L640 PolarHBondContact O-N 3.19Å; L638-L640 VanDerWaalsContact O-N 3.14Å
641	Y	33.5	Very low	39.3	Very low	234 Å²	234	157.2 Å²	157.2	92%	0.918	82%	0.816	S	S	*	*			trans	-121.1	57.7	177.9	-107.5	-85	0	0	0	112.5
642	K	37.4	Very low	38.1	Very low	207 Å²	207	161.3 Å²	161.3	90%	0.9	83%	0.827	S	S	*	*			trans	-142	15.4	171.3	-96.2	-166.2	-176.7	173.4	0	118.4
643	T	36.1	Very low	37	Very low	125 Å²	125	167.1 Å²	167.1	77%	0.767	84%	0.842	S	S	*	*	S	Bend	trans	-118.8	21.7	-173.7	-15.5	0	0	0	0	116.8
644	F	34.3	Very low	36.1	Very low	223 Å²	223	170.7 Å²	170.7	98%	0.978	86%	0.858	S	S	*	*	S	Bend	trans	-124.2	41.8	175	-87.8	-77.9	0	0	0	114.2
645	S	32.8	Very low	35.6	Very low	91 Å²	91	169.4 Å²	169.4	64%	0.636	86%	0.861	S	S	*	*	S	Bend	trans	-132.9	121.1	166	171.5	0	0	0	0	107.9
646	H	29.8	Very low	35.3	Very low	178 Å²	178	168.4 Å²	168.4	82%	0.824	87%	0.867	S	S	*	*			trans	96.9	72.9	-178.9	-54.5	-68.3	0	0	0	117
647	T	40.7	Very low	35	Very low	218 Å²	218	173.1 Å²	173.1	100%	1.337	88%	0.88	S	S	*	*				-169.1	0	125.2	42.4	0	0	0	0	106.9

Retrieved 647 of 647 residues in 148.6 ms (Link to these results)

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