A0A077ZHW6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZHW6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 252 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	51.8	Low	57	Low	230 Å²	230	118.4 Å²	118.4	100%	1.133	66%	0.663	S	S	*	*				0	-16.1	0	-68.4	-163.9	-103.6	0	0	114.4	F3	M1-F3 PolarHBondContact O-N 3.45Å
2	G	56.7	Low	56.7	Low	57 Å²	57	119.8 Å²	119.8	59%	0.588	66%	0.657	S	S	*	*	H	α-helix	trans	-70.5	-24.5	-177	0	0	0	0	0	117.1
3	F	58	Low	56.6	Low	192 Å²	192	118.8 Å²	118.8	84%	0.842	65%	0.649	S	S	*	*	H	α-helix	trans	-73.4	-32.2	-176.1	-94.9	-87.4	0	0	0	114.4	M1 S7	M1-F3 PolarHBondContact O-N 3.45Å; F3-S7 PolarHBondContact O-N 3.34Å
4	M	60.5	Low	56.3	Low	159 Å²	159	115.7 Å²	115.7	78%	0.783	64%	0.635	S	S	*	*	H	α-helix	trans	-72.2	-32.3	178.9	-74.1	-166.8	-175	0	0	112.8	L6 S7 M8	M4-L6 VanDerWaalsContact C-N 3.33Å; M4-S7 PolarHBondContact O-OG 3.1Å; M4-S7 VanDerWaalsContact O-OG 3.1Å; M4-M8 PolarHBondContact O-N 3.01Å
5	A	60.1	Low	56	Low	70 Å²	70	115.3 Å²	115.3	58%	0.579	63%	0.63	S	S	*	*	H	α-helix	trans	-67	-38.2	177.2	0	0	0	0	0	111.4	L9	A5-L9 PolarHBondContact O-N 3.22Å
6	L	54.6	Low	55.8	Low	124 Å²	124	114.3 Å²	114.3	65%	0.649	62%	0.623	S	S	*	*	H	α-helix	trans	-67.2	-41.4	178.7	-124.5	95.7	0	0	0	112.1	M4 L9 V10	M4-L6 VanDerWaalsContact C-N 3.33Å; L6-L9 PolarHBondContact O-N 3.27Å; L6-V10 WeakPolarHBondContact O-CG2 3.46Å; L6-V10 PolarHBondContact O-N 3.5Å; L6-V10 VanDerWaalsContact O-N 3.16Å
7	S	58.9	Low	55.2	Low	68 Å²	68	109.5 Å²	109.5	48%	0.476	61%	0.606	S	S	.	*	H	α-helix	trans	-67	-40	-179.1	66.3	0	0	0	0	112.4	F3 M4 L9 V10 C11	F3-S7 PolarHBondContact O-N 3.34Å; M4-S7 PolarHBondContact O-OG 3.1Å; M4-S7 VanDerWaalsContact O-OG 3.1Å; S7-L9 VanDerWaalsContact C-N 3.32Å; S7-L9 PolarHBondContact O-N 3.44Å; S7-V10 PolarHBondContact O-N 3.35Å; S7-C11 PolarHBondContact O-N 2.77Å; S7-C11 VanDerWaalsContact O-N 3.09Å; S7-C11 PolarHBondContact O-SG 3.29Å
8	M	55	Low	54.8	Low	133 Å²	133	109.4 Å²	109.4	66%	0.655	60%	0.603	S	S	*	*	H	α-helix	trans	-62.8	-38.6	174.4	-78.8	-156.1	158.4	0	0	112.2	M4 V10 C11 F12	M4-M8 PolarHBondContact O-N 3.01Å; M8-V10 PolarHBondContact O-N 3Å; M8-C11 PolarHBondContact O-N 3.02Å; M8-F12 WeakPolarHBondContact O-CD2 3.24Å; M8-F12 PolarHBondContact O-N 3.4Å
9	L	61	Low	54.3	Low	114 Å²	114	106.5 Å²	106.5	60%	0.597	59%	0.594	S	S	*	*	H	α-helix	trans	-63.4	-43.1	178	-155.4	102.2	0	0	0	111.7	A5 L6 S7 F12 I13	A5-L9 PolarHBondContact O-N 3.22Å; L6-L9 PolarHBondContact O-N 3.27Å; S7-L9 VanDerWaalsContact C-N 3.32Å; S7-L9 PolarHBondContact O-N 3.44Å; L9-F12 PolarHBondContact O-N 3.29Å; L9-I13 HydrophobicContact CD2-CD1 3.96Å; L9-I13 HydrophobicContact CG-CD1 4.32Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.3Å; L9-I13 PolarHBondContact O-N 3.16Å
10	V	57.8	Low	53.8	Low	85 Å²	85	104.5 Å²	104.5	52%	0.515	59%	0.585	S	S	.	*	H	α-helix	trans	-65.4	-39.1	178	177.1	0	0	0	0	111.7	L6 S7 M8 I13 T14	L6-V10 WeakPolarHBondContact O-CG2 3.46Å; L6-V10 PolarHBondContact O-N 3.5Å; L6-V10 VanDerWaalsContact O-N 3.16Å; S7-V10 PolarHBondContact O-N 3.35Å; M8-V10 PolarHBondContact O-N 3Å; V10-I13 PolarHBondContact O-N 3.36Å; V10-T14 PolarHBondContact O-N 3.09Å; V10-T14 PolarHBondContact O-OG1 3.46Å
11	C	52.9	Low	53.2	Low	70 Å²	70	107.1 Å²	107.1	47%	0.473	59%	0.59	S	S	.	*	H	α-helix	trans	-62.7	-42	173.3	-71.9	0	0	0	0	112	S7 M8 T14 I15	S7-C11 PolarHBondContact O-N 2.77Å; S7-C11 VanDerWaalsContact O-N 3.09Å; S7-C11 PolarHBondContact O-SG 3.29Å; M8-C11 PolarHBondContact O-N 3.02Å; C11-T14 WeakPolarHBondContact CA-OG1 3.44Å; C11-T14 PolarHBondContact O-N 3.46Å; C11-T14 PolarHBondContact O-OG1 3.42Å; C11-I15 VanDerWaalsContact O-CG1 3.24Å; C11-I15 WeakPolarHBondContact O-CG1 3.33Å; C11-I15 PolarHBondContact O-N 2.93Å
12	F	53.6	Low	52.7	Low	136 Å²	136	102.9 Å²	102.9	60%	0.596	57%	0.568	S	S	*	*	H	α-helix	trans	-64.3	-42.6	176.6	-97.7	-85.4	0	0	0	112.5	M8 L9 T14 I15 I16	M8-F12 WeakPolarHBondContact O-CD2 3.24Å; M8-F12 PolarHBondContact O-N 3.4Å; L9-F12 PolarHBondContact O-N 3.29Å; F12-T14 VanDerWaalsContact C-N 3.34Å; F12-T14 PolarHBondContact O-N 3.42Å; F12-I15 PolarHBondContact O-N 2.96Å; F12-I16 WeakPolarHBondContact O-CB 3.45Å; F12-I16 VanDerWaalsContact O-CG1 3.23Å; F12-I16 WeakPolarHBondContact O-CG1 3.43Å; F12-I16 PolarHBondContact O-N 2.98Å
13	I	55.2	Low	51.8	Low	107 Å²	107	109.6 Å²	109.6	55%	0.549	58%	0.575	S	S	.	*	H	α-helix	trans	-65.6	-38.8	179.1	-63.2	163.7	0	0	0	110.9	L9 V10 G17	L9-I13 HydrophobicContact CD2-CD1 3.96Å; L9-I13 HydrophobicContact CG-CD1 4.32Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.3Å; L9-I13 PolarHBondContact O-N 3.16Å; V10-I13 PolarHBondContact O-N 3.36Å; I13-G17 PolarHBondContact O-N 3.3Å
14	T	51.9	Low	51	Low	75 Å²	75	106 Å²	106	46%	0.46	57%	0.565	S	S	.	*	H	α-helix	trans	-68.8	-41.2	176.9	39.1	0	0	0	0	112.5	V10 C11 F12 G17 I18	V10-T14 PolarHBondContact O-N 3.09Å; V10-T14 PolarHBondContact O-OG1 3.46Å; C11-T14 WeakPolarHBondContact CA-OG1 3.44Å; C11-T14 PolarHBondContact O-N 3.46Å; C11-T14 PolarHBondContact O-OG1 3.42Å; F12-T14 VanDerWaalsContact C-N 3.34Å; F12-T14 PolarHBondContact O-N 3.42Å; T14-G17 PolarHBondContact O-N 2.83Å; T14-I18 VanDerWaalsContact O-CG1 3.28Å; T14-I18 WeakPolarHBondContact O-CG1 3.23Å; T14-I18 PolarHBondContact O-N 3.03Å
15	I	51.9	Low	50.2	Low	109 Å²	109	101.9 Å²	101.9	56%	0.559	55%	0.549	S	S	*	.	H	α-helix	trans	-63.6	-44.3	175.3	-67.3	166.5	0	0	0	110.6	C11 F12 G17 I18 A19	C11-I15 VanDerWaalsContact O-CG1 3.24Å; C11-I15 WeakPolarHBondContact O-CG1 3.33Å; C11-I15 PolarHBondContact O-N 2.93Å; F12-I15 PolarHBondContact O-N 2.96Å; I15-G17 VanDerWaalsContact C-N 3.35Å; I15-I18 PolarHBondContact O-N 2.78Å; I15-A19 VanDerWaalsContact O-CB 3.28Å; I15-A19 WeakPolarHBondContact O-CB 3.48Å; I15-A19 PolarHBondContact O-N 3.32Å
16	I	52.6	Low	49.2	Very low	100 Å²	100	101.2 Å²	101.2	51%	0.513	55%	0.548	S	S	.	.	H	α-helix	trans	-63.2	-43.6	176.2	-66.2	166.3	0	0	0	110	F12 I18 A19 T20	F12-I16 WeakPolarHBondContact O-CB 3.45Å; F12-I16 VanDerWaalsContact O-CG1 3.23Å; F12-I16 WeakPolarHBondContact O-CG1 3.43Å; F12-I16 PolarHBondContact O-N 2.98Å; I16-I18 PolarHBondContact O-N 3.24Å; I16-A19 PolarHBondContact O-N 3.44Å; I16-T20 HydrophobicContact CG2-CG2 4.18Å; I16-T20 WeakPolarHBondContact O-CG2 3.37Å; I16-T20 PolarHBondContact O-N 2.9Å; I16-T20 PolarHBondContact O-OG1 3.4Å
17	G	45.6	Very low	48.5	Very low	32 Å²	32	103.3 Å²	103.3	33%	0.33	55%	0.552	S	S	.	*	H	α-helix	trans	-62.7	-37.9	178.4	0	0	0	0	0	113.8	I13 T14 I15 T20 K21	I13-G17 PolarHBondContact O-N 3.3Å; T14-G17 PolarHBondContact O-N 2.83Å; I15-G17 VanDerWaalsContact C-N 3.35Å; G17-T20 WeakPolarHBondContact CA-OG1 3.28Å; G17-T20 PolarHBondContact O-OG1 2.81Å; G17-T20 VanDerWaalsContact O-OG1 3.07Å; G17-K21 WeakPolarHBondContact O-CB 3.28Å; G17-K21 PolarHBondContact O-N 3.4Å
18	I	48.7	Very low	47.6	Very low	109 Å²	109	105.8 Å²	105.8	56%	0.559	56%	0.556	S	S	*	*	H	α-helix	trans	-71.2	-42.5	174.2	-65.9	165.4	0	0	0	110.3	T14 I15 I16 K21 Q22	T14-I18 VanDerWaalsContact O-CG1 3.28Å; T14-I18 WeakPolarHBondContact O-CG1 3.23Å; T14-I18 PolarHBondContact O-N 3.03Å; I15-I18 PolarHBondContact O-N 2.78Å; I16-I18 PolarHBondContact O-N 3.24Å; I18-K21 PolarHBondContact O-N 3.43Å; I18-Q22 WeakPolarHBondContact O-CB 3.37Å; I18-Q22 PolarHBondContact O-N 2.87Å
19	A	45.4	Very low	47	Very low	53 Å²	53	103.1 Å²	103.1	44%	0.438	56%	0.556	S	S	.	*	H	α-helix	trans	-65	-40.2	178	0	0	0	0	0	111.8	I15 I16 Q22 R23	I15-A19 VanDerWaalsContact O-CB 3.28Å; I15-A19 WeakPolarHBondContact O-CB 3.48Å; I15-A19 PolarHBondContact O-N 3.32Å; I16-A19 PolarHBondContact O-N 3.44Å; A19-Q22 PolarHBondContact O-N 3.39Å; A19-R23 WeakPolarHBondContact O-CB 3.35Å; A19-R23 PolarHBondContact O-N 2.95Å
20	T	44.6	Very low	46.3	Very low	67 Å²	67	102.4 Å²	102.4	41%	0.411	55%	0.548	S	S	.	.	H	α-helix	trans	-69.2	-40.5	174.1	54.5	0	0	0	0	111.1	I16 G17 Q22 R23 D24	I16-T20 HydrophobicContact CG2-CG2 4.18Å; I16-T20 WeakPolarHBondContact O-CG2 3.37Å; I16-T20 PolarHBondContact O-N 2.9Å; I16-T20 PolarHBondContact O-OG1 3.4Å; G17-T20 WeakPolarHBondContact CA-OG1 3.28Å; G17-T20 PolarHBondContact O-OG1 2.81Å; G17-T20 VanDerWaalsContact O-OG1 3.07Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 2.8Å; T20-R23 CarbonylContact O-C 3.58Å; T20-R23 PolarHBondContact O-N 3.07Å; T20-R23 VanDerWaalsContact O-N 3.09Å; T20-D24 WeakPolarHBondContact O-CB 3.5Å; T20-D24 PolarHBondContact O-N 3.09Å
21	K	39.8	Very low	46	Very low	159 Å²	159	105.5 Å²	105.5	69%	0.691	56%	0.56	S	S	*	*	H	α-helix	trans	-59.4	-42.8	171.8	-98.4	-167.2	173.5	-175.1	0	112	G17 I18 R23 D24 T25	G17-K21 WeakPolarHBondContact O-CB 3.28Å; G17-K21 PolarHBondContact O-N 3.4Å; I18-K21 PolarHBondContact O-N 3.43Å; K21-R23 VanDerWaalsContact C-N 3.29Å; K21-R23 PolarHBondContact O-N 2.88Å; K21-D24 PolarHBondContact O-N 3.48Å; K21-T25 PolarHBondContact O-N 3.34Å; K21-T25 PolarHBondContact O-OG1 2.8Å
22	Q	41.1	Very low	46.1	Very low	141 Å²	141	103.5 Å²	103.5	66%	0.659	55%	0.545	S	S	*	.	H	α-helix	trans	-65.8	-32.4	174.6	-80.9	-161.5	-21.6	0	0	112.5	I18 A19 T20 T25 G26	I18-Q22 WeakPolarHBondContact O-CB 3.37Å; I18-Q22 PolarHBondContact O-N 2.87Å; A19-Q22 PolarHBondContact O-N 3.39Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 2.8Å; Q22-T25 WeakPolarHBondContact CA-OG1 3.32Å; Q22-T25 PolarHBondContact O-OG1 2.85Å; Q22-G26 WeakPolarHBondContact O-CA 3.48Å; Q22-G26 PolarHBondContact O-N 2.74Å
23	R	39.5	Very low	46.2	Very low	199 Å²	199	98.8 Å²	98.8	75%	0.751	53%	0.528	S	S	*	.	H	α-helix	trans	-73.2	-36.5	176.3	-148.3	177.4	-168.3	173.2	3	112	A19 T20 K21 G26 K27	A19-R23 WeakPolarHBondContact O-CB 3.35Å; A19-R23 PolarHBondContact O-N 2.95Å; T20-R23 CarbonylContact O-C 3.58Å; T20-R23 PolarHBondContact O-N 3.07Å; T20-R23 VanDerWaalsContact O-N 3.09Å; K21-R23 VanDerWaalsContact C-N 3.29Å; K21-R23 PolarHBondContact O-N 2.88Å; R23-G26 PolarHBondContact O-N 3.2Å; R23-K27 PolarHBondContact O-N 3.49Å
24	D	39.9	Very low	46.6	Very low	117 Å²	117	96.2 Å²	96.2	63%	0.626	52%	0.516	S	S	*	.	H	α-helix	trans	-75.8	-37.7	175.6	-77	-19.5	0	0	0	111.7	T20 K21 G26 K27 Q28	T20-D24 WeakPolarHBondContact O-CB 3.5Å; T20-D24 PolarHBondContact O-N 3.09Å; K21-D24 PolarHBondContact O-N 3.48Å; D24-G26 VanDerWaalsContact C-N 3.32Å; D24-K27 CarbonylContact O-C 3.29Å; D24-K27 VanDerWaalsContact O-C 3.29Å; D24-K27 WeakPolarHBondContact O-CA 3.48Å; D24-K27 PolarHBondContact O-N 2.83Å; D24-K27 VanDerWaalsContact O-N 3.11Å; D24-Q28 PolarHBondContact O-N 3.28Å
25	T	44.2	Very low	47.2	Very low	72 Å²	72	93 Å²	93	44%	0.442	50%	0.496	S	S	.	.	H	α-helix	trans	-69.7	-30.3	169.2	47.7	0	0	0	0	112.2	K21 Q22 K27 Q28	K21-T25 PolarHBondContact O-N 3.34Å; K21-T25 PolarHBondContact O-OG1 2.8Å; Q22-T25 WeakPolarHBondContact CA-OG1 3.32Å; Q22-T25 PolarHBondContact O-OG1 2.85Å; T25-K27 PolarHBondContact O-N 3.11Å; T25-Q28 WeakPolarHBondContact O-CB 3.4Å; T25-Q28 PolarHBondContact O-N 3.21Å
26	G	39.9	Very low	47.7	Very low	55 Å²	55	90.7 Å²	90.7	57%	0.567	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.4	169.4	0	0	0	0	0	113.7	Q22 R23 D24	Q22-G26 WeakPolarHBondContact O-CA 3.48Å; Q22-G26 PolarHBondContact O-N 2.74Å; R23-G26 PolarHBondContact O-N 3.2Å; D24-G26 VanDerWaalsContact C-N 3.32Å
27	K	39.9	Very low	48.3	Very low	169 Å²	169	90.9 Å²	90.9	74%	0.735	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	20.9	169.8	-73.5	-170.9	178	-175.9	0	112.7	R23 D24 T25 A29	R23-K27 PolarHBondContact O-N 3.49Å; D24-K27 CarbonylContact O-C 3.29Å; D24-K27 VanDerWaalsContact O-C 3.29Å; D24-K27 WeakPolarHBondContact O-CA 3.48Å; D24-K27 PolarHBondContact O-N 2.83Å; D24-K27 VanDerWaalsContact O-N 3.11Å; T25-K27 PolarHBondContact O-N 3.11Å; K27-A29 PolarHBondContact O-N 2.96Å
28	Q	39.6	Very low	49.5	Very low	119 Å²	119	89.7 Å²	89.7	56%	0.556	47%	0.467	S	S	*	.			trans	-56.9	102.4	154	-82.3	-179.5	-6.5	0	0	104.8	D24 T25 F30	D24-Q28 PolarHBondContact O-N 3.28Å; T25-Q28 WeakPolarHBondContact O-CB 3.4Å; T25-Q28 PolarHBondContact O-N 3.21Å; Q28-F30 VanDerWaalsContact O-CD2 3.22Å; Q28-F30 WeakPolarHBondContact O-CD2 3.22Å; Q28-F30 PolarHBondContact O-N 2.97Å
29	A	42	Very low	50.5	Low	78 Å²	78	84.5 Å²	84.5	65%	0.645	44%	0.44	S	S	*	.			trans	-57	97.2	166.2	0	0	0	0	0	103.2	K27 I31	K27-A29 PolarHBondContact O-N 2.96Å; A29-I31 VanDerWaalsContact C-N 3.27Å; A29-I31 PolarHBondContact O-N 2.74Å
30	F	47.2	Very low	51.4	Low	98 Å²	98	83.8 Å²	83.8	43%	0.43	43%	0.43	S	S	.	.			trans	-57.5	106	172.2	-72.4	-85.5	0	0	0	103.5	Q28 V32	Q28-F30 VanDerWaalsContact O-CD2 3.22Å; Q28-F30 WeakPolarHBondContact O-CD2 3.22Å; Q28-F30 PolarHBondContact O-N 2.97Å; F30-V32 HydrophobicContact CB-CG2 4.49Å; F30-V32 PolarHBondContact O-N 3.08Å
31	I	49.7	Very low	52.5	Low	151 Å²	151	87.6 Å²	87.6	77%	0.774	45%	0.448	S	S	*	.			trans	-68.4	91.3	169	-60.7	177.5	0	0	0	102.7	A29 P33	A29-I31 VanDerWaalsContact C-N 3.27Å; A29-I31 PolarHBondContact O-N 2.74Å; I31-P33 WeakPolarHBondContact O-CD 3.42Å; I31-P33 VanDerWaalsContact O-N 3.13Å
32	V	55.3	Low	54	Low	27 Å²	27	83.6 Å²	83.6	16%	0.164	43%	0.431	C	S	.	.			trans	-63.2	112.6	177.6	168.3	0	0	0	0	105.6	F30 N34 H94 L96	F30-V32 HydrophobicContact CB-CG2 4.49Å; F30-V32 PolarHBondContact O-N 3.08Å; V32-N34 PolarHBondContact O-N 3.45Å; V32-H94 WeakPolarHBondContact CG1-O 3.48Å; V32-L96 HydrophobicContact CG1-CB 4.23Å; V32-L96 HydrophobicContact CG1-CD2 4.44Å; V32-L96 HydrophobicContact CG1-CG 3.67Å
33	P	56.2	Low	55.2	Low	37 Å²	37	78.1 Å²	78.1	24%	0.24	41%	0.407	C	S	.	.			trans	-58.8	127.6	-179.6	-17.3	28.8	0	0	0	108.1	I31 V38 P92 S95	I31-P33 WeakPolarHBondContact O-CD 3.42Å; I31-P33 VanDerWaalsContact O-N 3.13Å; P33-V38 HydrophobicContact CB-CG2 3.84Å; P33-P92 HydrophobicContact CG-CB 4.36Å; P33-S95 WeakPolarHBondContact O-CB 3.16Å
34	N	63.7	Low	56.5	Low	54 Å²	54	71.7 Å²	71.7	29%	0.289	40%	0.403	S	S	.	.			trans	-71.3	134.4	170.7	-179.4	-10.2	0	0	0	107.6	V32 K36 E37 V38	V32-N34 PolarHBondContact O-N 3.45Å; N34-K36 PolarHBondContact O-N 2.87Å; N34-K36 WeakPolarHBondContact OD1-CB 3.42Å; N34-K36 PolarHBondContact OD1-N 2.91Å; N34-E37 HydrophobicContact CB-CG 4.16Å; N34-E37 PolarHBondContact N-OE2 3.4Å; N34-E37 WeakPolarHBondContact O-CA 3.45Å; N34-E37 WeakPolarHBondContact O-CB 3.4Å; N34-E37 PolarHBondContact O-N 2.75Å; N34-V38 PolarHBondContact O-N 2.91Å; N34-V38 VanDerWaalsContact O-N 3.13Å
35	L	63.8	Low	57.6	Low	8 Å²	8	66.2 Å²	66.2	4%	0.042	37%	0.374	C	S	.	.	H	α-helix	trans	-52.7	-32.4	177.1	-160.6	56.9	0	0	0	112.6	V38 C39 H50 T61 I89 V91	L35-V38 PolarHBondContact O-N 2.85Å; L35-C39 WeakPolarHBondContact O-CB 3.18Å; L35-C39 PolarHBondContact O-N 3.48Å; L35-C39 PolarHBondContact O-SG 2.82Å; L35-C39 VanDerWaalsContact O-SG 3.33Å; L35-H50 WeakPolarHBondContact CD2-NE2 3.44Å; L35-H50 WeakPolarHBondContact CG-NE2 3.02Å; L35-T61 HydrophobicContact CD1-CG2 3.89Å; L35-T61 HydrophobicContact CD2-CG2 4.09Å; L35-T61 HydrophobicContact CG-CG2 4.31Å; L35-I89 HydrophobicContact CD1-CD1 3.95Å; L35-V91 HydrophobicContact CD1-CG1 4.12Å; L35-V91 HydrophobicContact CD1-CG2 3.94Å
36	K	63.1	Low	58.3	Low	60 Å²	60	69.9 Å²	69.9	26%	0.261	38%	0.38	S	S	.	.	H	α-helix	trans	-51.7	-53.5	168.1	159.2	163.9	-145.2	-156.3	0	112.3	N34 V38 C39 V40 F48 E181	N34-K36 PolarHBondContact O-N 2.87Å; N34-K36 WeakPolarHBondContact OD1-CB 3.42Å; N34-K36 PolarHBondContact OD1-N 2.91Å; K36-V38 VanDerWaalsContact C-N 3.32Å; K36-V38 PolarHBondContact O-N 3.35Å; K36-C39 PolarHBondContact O-N 3.38Å; K36-V40 WeakPolarHBondContact O-CG2 3.47Å; K36-V40 PolarHBondContact O-N 2.79Å; K36-F48 HydrophobicContact CB-CE1 4Å; K36-F48 HydrophobicContact CB-CE2 3.73Å; K36-F48 HydrophobicContact CB-CZ 3.29Å; K36-F48 HydrophobicContact CD-CE1 3.74Å; K36-F48 HydrophobicContact CD-CZ 3.38Å; K36-F48 HydrophobicContact CG-CE1 3.37Å; K36-F48 HydrophobicContact CG-CE2 4.06Å; K36-F48 HydrophobicContact CG-CZ 3.11Å; K36-E181 IonicContact NZ-OE1 2.62Å; K36-E181 PolarHBondContact NZ-OE1 3.49Å; K36-E181 IonicContact NZ-OE2 3.36Å; K36-E181 PolarHBondContact NZ-OE2 2.94Å
37	E	65.6	Low	59.3	Low	103 Å²	103	67.5 Å²	67.5	48%	0.481	35%	0.354	S	S	.	.	H	α-helix	trans	-66	-40	-177	-64.1	170.4	156.3	0	0	110.6	N34 C39 V40 L41	N34-E37 HydrophobicContact CB-CG 4.16Å; N34-E37 PolarHBondContact N-OE2 3.4Å; N34-E37 WeakPolarHBondContact O-CA 3.45Å; N34-E37 WeakPolarHBondContact O-CB 3.4Å; N34-E37 PolarHBondContact O-N 2.75Å; E37-C39 VanDerWaalsContact C-N 3.35Å; E37-C39 PolarHBondContact O-N 3.18Å; E37-V40 PolarHBondContact O-N 3.13Å; E37-L41 WeakPolarHBondContact O-CB 3.4Å; E37-L41 VanDerWaalsContact O-CG 3.25Å; E37-L41 WeakPolarHBondContact O-CG 3.17Å; E37-L41 PolarHBondContact O-N 2.83Å
38	V	69.4	Low	60.1	Low	7 Å²	7	61.2 Å²	61.2	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-45.7	175	-177.7	0	0	0	0	110.8	P33 N34 L35 K36 L41 Q42 I89 P92	P33-V38 HydrophobicContact CB-CG2 3.84Å; N34-V38 PolarHBondContact O-N 2.91Å; N34-V38 VanDerWaalsContact O-N 3.13Å; L35-V38 PolarHBondContact O-N 2.85Å; K36-V38 VanDerWaalsContact C-N 3.32Å; K36-V38 PolarHBondContact O-N 3.35Å; V38-L41 PolarHBondContact O-N 2.75Å; V38-Q42 VanDerWaalsContact CG1-NE2 3.33Å; V38-Q42 WeakPolarHBondContact O-CB 3.01Å; V38-Q42 WeakPolarHBondContact O-CG 3.02Å; V38-Q42 PolarHBondContact O-N 2.98Å; V38-I89 HydrophobicContact CB-CD1 4.31Å; V38-I89 HydrophobicContact CG1-CD1 3.62Å; V38-P92 HydrophobicContact CG1-CG 4.28Å; V38-P92 HydrophobicContact CG2-CG 3.92Å
39	C	69.9	Low	60.8	Low	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-51.1	175.8	-73.4	0	0	0	0	111.5	L35 K36 E37 L41 Q42 T43 F48 C63	L35-C39 WeakPolarHBondContact O-CB 3.18Å; L35-C39 PolarHBondContact O-N 3.48Å; L35-C39 PolarHBondContact O-SG 2.82Å; L35-C39 VanDerWaalsContact O-SG 3.33Å; K36-C39 PolarHBondContact O-N 3.38Å; E37-C39 VanDerWaalsContact C-N 3.35Å; E37-C39 PolarHBondContact O-N 3.18Å; C39-L41 VanDerWaalsContact C-N 3.29Å; C39-L41 PolarHBondContact O-N 2.84Å; C39-Q42 PolarHBondContact O-N 3.13Å; C39-T43 WeakPolarHBondContact O-CB 3.43Å; C39-T43 WeakPolarHBondContact O-CG2 3.12Å; C39-T43 PolarHBondContact O-N 2.02Å; C39-T43 PolarHBondContact O-OG1 3.14Å; C39-F48 HydrophobicContact CB-CB 4.32Å; C39-F48 HydrophobicContact CB-CD2 4.22Å; C39-F48 HydrophobicContact CB-CG 4.09Å; C39-C63 WeakPolarHBondContact CA-SG 3.14Å; C39-C63 HydrophobicContact CB-CB 3.73Å; C39-C63 WeakPolarHBondContact CB-SG 3.34Å; C39-C63 WeakPolarHBondContact SG-CB 3.05Å; C39-C63 CovalentContact SG-SG 2.03Å; C39-C63 PolarHBondContact SG-SG 3.2Å
40	V	66	Low	61	Low	38 Å²	38	52.8 Å²	52.8	23%	0.23	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-41.4	-179.8	174.8	0	0	0	0	111.6	K36 E37 G44 R46 F48	K36-V40 WeakPolarHBondContact O-CG2 3.47Å; K36-V40 PolarHBondContact O-N 2.79Å; E37-V40 PolarHBondContact O-N 3.13Å; V40-G44 VanDerWaalsContact O-CA 3.26Å; V40-G44 WeakPolarHBondContact O-CA 3.35Å; V40-G44 PolarHBondContact O-N 3Å; V40-R46 HydrophobicContact CG1-CG 4.01Å; V40-F48 HydrophobicContact CG2-CD1 3.72Å; V40-F48 HydrophobicContact CG2-CE1 4Å
41	L	67.2	Low	61	Low	148 Å²	148	50.8 Å²	50.8	78%	0.775	27%	0.27	S	S	*	.	H	α-helix	trans	-67.9	-38.7	179.9	-73.6	168.5	0	0	0	112.9	E37 V38 C39	E37-L41 WeakPolarHBondContact O-CB 3.4Å; E37-L41 VanDerWaalsContact O-CG 3.25Å; E37-L41 WeakPolarHBondContact O-CG 3.17Å; E37-L41 PolarHBondContact O-N 2.83Å; V38-L41 PolarHBondContact O-N 2.75Å; C39-L41 VanDerWaalsContact C-N 3.29Å; C39-L41 PolarHBondContact O-N 2.84Å
42	Q	71.8	Confident	60.8	Low	75 Å²	75	44.6 Å²	44.6	35%	0.35	24%	0.244	S	C	.	.	H	α-helix	trans	-87.5	-32.8	-175.5	-69	-170.8	35.5	0	0	113.9	V38 C39 I89 T90	V38-Q42 VanDerWaalsContact CG1-NE2 3.33Å; V38-Q42 WeakPolarHBondContact O-CB 3.01Å; V38-Q42 WeakPolarHBondContact O-CG 3.02Å; V38-Q42 PolarHBondContact O-N 2.98Å; C39-Q42 PolarHBondContact O-N 3.13Å; Q42-I89 HydrophobicContact CB-CG2 3.88Å; Q42-I89 HydrophobicContact CG-CG2 4.48Å; Q42-I89 VanDerWaalsContact OE1-CB 3.24Å; Q42-T90 PolarHBondContact NE2-O 2.9Å
43	T	66.2	Low	60.5	Low	25 Å²	25	44.4 Å²	44.4	15%	0.153	25%	0.245	C	C	.	.	H	α-helix	trans	-92.8	-20.8	179	71.4	0	0	0	0	112.6	C39 N45 C63 Q87	C39-T43 WeakPolarHBondContact O-CB 3.43Å; C39-T43 WeakPolarHBondContact O-CG2 3.12Å; C39-T43 PolarHBondContact O-N 2.02Å; C39-T43 PolarHBondContact O-OG1 3.14Å; T43-N45 PolarHBondContact O-N 3.31Å; T43-N45 PolarHBondContact OG1-N 3.17Å; T43-N45 VanDerWaalsContact OG1-N 3.12Å; T43-C63 HydrophobicContact CG2-CB 3.86Å; T43-Q87 HydrophobicContact CG2-CB 4.1Å
44	G	65.6	Low	60.1	Low	64 Å²	64	48 Å²	48	66%	0.66	26%	0.255	S	S	*	.			trans	73.1	-0.7	-171.3	0	0	0	0	0	114.1	V40	V40-G44 VanDerWaalsContact O-CA 3.26Å; V40-G44 WeakPolarHBondContact O-CA 3.35Å; V40-G44 PolarHBondContact O-N 3Å
45	N	62.6	Low	59.6	Low	2 Å²	2	50.4 Å²	50.4	1%	0.011	27%	0.271	C	S	.	.			trans	-104.2	123.2	-174.2	-169.4	-32.7	0	0	0	110.6	T43 C47 S65 E67 Q85	T43-N45 PolarHBondContact O-N 3.31Å; T43-N45 PolarHBondContact OG1-N 3.17Å; T43-N45 VanDerWaalsContact OG1-N 3.12Å; N45-C47 VanDerWaalsContact C-N 3.32Å; N45-C47 PolarHBondContact OD1-N 3.37Å; N45-S65 VanDerWaalsContact CG-OG 3.31Å; N45-S65 WeakPolarHBondContact ND2-CB 3.49Å; N45-S65 PolarHBondContact ND2-OG 3.49Å; N45-E67 VanDerWaalsContact ND2-CD 3.27Å; N45-E67 WeakPolarHBondContact ND2-CG 3.39Å; N45-E67 PolarHBondContact ND2-OE1 3.06Å; N45-E67 PolarHBondContact OD1-OE1 3.33Å; N45-Q85 PolarHBondContact ND2-OE1 3.24Å
46	R	60.4	Low	59.4	Low	150 Å²	150	55.8 Å²	55.8	57%	0.566	30%	0.3	S	S	*	.	S	Bend	trans	-79	-16.9	-177.8	-68.8	-174.6	178	-170.3	0.1	113.4	V40 F48	V40-R46 HydrophobicContact CG1-CG 4.01Å; R46-F48 VanDerWaalsContact C-N 3.32Å; R46-F48 PolarHBondContact O-N 3.09Å
47	C	60.4	Low	59.7	Low	4 Å²	4	54.2 Å²	54.2	3%	0.027	30%	0.296	C	S	.	.			trans	-102.2	55.1	-172.7	-61.3	0	0	0	0	111	N45 S65 W66 L132 C133	N45-C47 VanDerWaalsContact C-N 3.32Å; N45-C47 PolarHBondContact OD1-N 3.37Å; C47-S65 VanDerWaalsContact O-CA 3.26Å; C47-S65 WeakPolarHBondContact O-CA 3.1Å; C47-S65 VanDerWaalsContact O-CB 3.24Å; C47-S65 WeakPolarHBondContact O-CB 3.03Å; C47-W66 VanDerWaalsContact CB-O 3.28Å; C47-W66 WeakPolarHBondContact CB-O 3.43Å; C47-W66 PolarHBondContact O-N 2.7Å; C47-W66 VanDerWaalsContact O-N 3.09Å; C47-L132 VanDerWaalsContact SG-C 3.56Å; C47-C133 HydrophobicContact CB-CB 3.59Å; C47-C133 WeakPolarHBondContact CB-SG 3.24Å; C47-C133 WeakPolarHBondContact SG-CA 3.08Å; C47-C133 WeakPolarHBondContact SG-CB 3.31Å; C47-C133 PolarHBondContact SG-N 3.29Å; C47-C133 CovalentContact SG-SG 2Å; C47-C133 PolarHBondContact SG-SG 2.73Å
48	F	56.6	Low	60.1	Low	38 Å²	38	49.3 Å²	49.3	17%	0.167	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	152.1	177.3	76.4	-77.7	0	0	0	110.6	K36 C39 V40 R46 A64	K36-F48 HydrophobicContact CB-CE1 4Å; K36-F48 HydrophobicContact CB-CE2 3.73Å; K36-F48 HydrophobicContact CB-CZ 3.29Å; K36-F48 HydrophobicContact CD-CE1 3.74Å; K36-F48 HydrophobicContact CD-CZ 3.38Å; K36-F48 HydrophobicContact CG-CE1 3.37Å; K36-F48 HydrophobicContact CG-CE2 4.06Å; K36-F48 HydrophobicContact CG-CZ 3.11Å; C39-F48 HydrophobicContact CB-CB 4.32Å; C39-F48 HydrophobicContact CB-CD2 4.22Å; C39-F48 HydrophobicContact CB-CG 4.09Å; V40-F48 HydrophobicContact CG2-CD1 3.72Å; V40-F48 HydrophobicContact CG2-CE1 4Å; R46-F48 VanDerWaalsContact C-N 3.32Å; R46-F48 PolarHBondContact O-N 3.09Å; F48-A64 CarbonylContact C-O 3.59Å; F48-A64 WeakPolarHBondContact CA-O 3.39Å; F48-A64 WeakPolarHBondContact CB-O 3.39Å
49	Y	53.2	Low	60.1	Low	12 Å²	12	55.3 Å²	55.3	5%	0.047	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.2	160.5	62.9	-80.3	0	0	0	106.8	A64 W66 P187	Y49-A64 HydrophobicContact CD1-CB 4.24Å; Y49-A64 HydrophobicContact CD2-CB 4.12Å; Y49-A64 HydrophobicContact CE1-CB 3.76Å; Y49-A64 HydrophobicContact CE2-CB 3.65Å; Y49-A64 HydrophobicContact CG-CB 4.41Å; Y49-A64 VanDerWaalsContact CZ-CB 3.45Å; Y49-A64 PolarHBondContact N-O 3.32Å; Y49-A64 CarbonylContact O-C 3.49Å; Y49-A64 WeakPolarHBondContact O-CB 3.49Å; Y49-A64 PolarHBondContact O-N 2.93Å; Y49-W66 AromaticContact CD1-CD1 3.78Å; Y49-W66 AromaticContact CE1-CD1 3.76Å; Y49-P187 HydrophobicContact CD2-CG 4.38Å; Y49-P187 HydrophobicContact CE2-CB 4.33Å; Y49-P187 HydrophobicContact CE2-CG 3.92Å
50	H	47.8	Very low	59.9	Low	8 Å²	8	59.7 Å²	59.7	4%	0.037	33%	0.326	C	S	.	.			trans	-81.9	133.5	168.3	-123.7	-82.6	0	0	0	107.8	L35 G52 T61 E62 Q184 S185	L35-H50 WeakPolarHBondContact CD2-NE2 3.44Å; L35-H50 WeakPolarHBondContact CG-NE2 3.02Å; H50-G52 VanDerWaalsContact ND1-C 3.29Å; H50-G52 PolarHBondContact ND1-O 2.03Å; H50-G52 PolarHBondContact O-N 3.39Å; H50-T61 WeakPolarHBondContact CE1-CG2 3.41Å; H50-T61 WeakPolarHBondContact NE2-CG2 3.48Å; H50-E62 PolarHBondContact CE1-O 3.23Å; H50-E62 VanDerWaalsContact CE1-O 3.3Å; H50-Q184 CarbonylContact C-O 3.56Å; H50-Q184 WeakPolarHBondContact CA-O 3.2Å; H50-Q184 HydrophobicContact CB-CB 4.48Å; H50-Q184 WeakPolarHBondContact CB-O 3.2Å; H50-Q184 CarbonylContact O-C 3.5Å; H50-S185 CarbonylContact O-C 3.51Å; H50-S185 WeakPolarHBondContact O-CA 3.41Å
51	P	46.8	Very low	60.2	Low	55 Å²	55	58 Å²	58	36%	0.357	32%	0.315	S	S	.	.	S	Bend	trans	-73.5	19.9	165.1	28.4	-29.8	0	0	0	112.2	E62 A64	P51-E62 WeakPolarHBondContact CD-O 3.37Å; P51-A64 HydrophobicContact CG-CB 4.21Å
52	G	44.7	Very low	60.3	Low	21 Å²	21	52.7 Å²	52.7	22%	0.216	29%	0.287	C	S	.	.			trans	105.7	136.9	-166.8	0	0	0	0	0	111.2	H50 Q184	H50-G52 VanDerWaalsContact ND1-C 3.29Å; H50-G52 PolarHBondContact ND1-O 2.03Å; H50-G52 PolarHBondContact O-N 3.39Å; G52-Q184 PolarHBondContact N-O 3.45Å
53	A	48.9	Very low	60.4	Low	24 Å²	24	49.2 Å²	49.2	20%	0.198	27%	0.27	C	S	.	.			trans	-68.4	135.8	158.4	0	0	0	0	0	107.2	V55 C97	A53-V55 PolarHBondContact O-N 3.41Å; A53-C97 WeakPolarHBondContact CB-O 3.09Å
54	Y	47.9	Very low	60.5	Low	113 Å²	113	48 Å²	48	44%	0.443	26%	0.263	S	S	.	.			trans	-63.8	114.8	168.5	-67.7	-86.7	0	0	0	106.7	D56 S57 L60	Y54-D56 PolarHBondContact O-N 3.02Å; Y54-S57 WeakPolarHBondContact CB-O 3.44Å; Y54-S57 PolarHBondContact O-N 3.27Å; Y54-S57 VanDerWaalsContact O-O 3.14Å; Y54-L60 HydrophobicContact CD2-CB 3.96Å; Y54-L60 WeakPolarHBondContact CD2-O 3.46Å; Y54-L60 HydrophobicContact CE2-CB 4.12Å; Y54-L60 WeakPolarHBondContact CE2-O 3.39Å; Y54-L60 HydrophobicContact CG-CB 4.35Å
55	V	53.3	Low	60.6	Low	103 Å²	103	45 Å²	45	62%	0.624	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-26.4	-164.8	-176.6	0	0	0	0	112.9	A53	A53-V55 PolarHBondContact O-N 3.41Å
56	D	60.3	Low	60.8	Low	122 Å²	122	45.1 Å²	45.1	65%	0.652	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-15.8	-171	-53.7	-41	0	0	0	114	Y54 C108	Y54-D56 PolarHBondContact O-N 3.02Å; D56-C108 PolarHBondContact O-N 3.32Å; D56-C108 VanDerWaalsContact O-N 3.14Å
57	S	68.7	Low	61.1	Low	26 Å²	26	39.4 Å²	39.4	18%	0.182	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-139.7	135.9	-177.3	-179.9	0	0	0	0	112.7	Y54 M59 G106	Y54-S57 WeakPolarHBondContact CB-O 3.44Å; Y54-S57 PolarHBondContact O-N 3.27Å; Y54-S57 VanDerWaalsContact O-O 3.14Å; S57-M59 PolarHBondContact OG-N 3.4Å; S57-G106 PolarHBondContact OG-O 2.89Å
58	C	73.9	Confident	61.2	Low	1 Å²	1	41.2 Å²	41.2	1%	0.007	22%	0.22	C	C	.	.	S	Bend	trans	-94.8	-11	171.1	53.2	0	0	0	0	113.2	L60 T61 V91 C103 G106	C58-L60 VanDerWaalsContact C-N 3.28Å; C58-L60 PolarHBondContact O-N 2.91Å; C58-T61 WeakPolarHBondContact CA-OG1 3.45Å; C58-T61 WeakPolarHBondContact O-CB 3.25Å; C58-T61 PolarHBondContact O-N 2.75Å; C58-T61 PolarHBondContact O-OG1 3.46Å; C58-V91 HydrophobicContact CB-CB 4.04Å; C58-V91 HydrophobicContact CB-CG1 4.07Å; C58-V91 HydrophobicContact CB-CG2 4.2Å; C58-V91 WeakPolarHBondContact O-CG2 3.49Å; C58-C103 HydrophobicContact CB-CB 3.54Å; C58-C103 WeakPolarHBondContact CB-SG 3.49Å; C58-C103 WeakPolarHBondContact SG-CA 3.26Å; C58-C103 WeakPolarHBondContact SG-CB 3.39Å; C58-C103 CovalentContact SG-SG 2.02Å; C58-C103 PolarHBondContact SG-SG 2.8Å; C58-G106 PolarHBondContact N-O 2.99Å; C58-G106 VanDerWaalsContact SG-CA 3.54Å; C58-G106 PolarHBondContact SG-O 3.02Å; C58-G106 VanDerWaalsContact SG-O 3.41Å
59	M	69.3	Low	61.8	Low	132 Å²	132	41.5 Å²	41.5	65%	0.65	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-31.9	176.3	-77.5	-168.2	-79.9	0	0	113.2	S57 G106	S57-M59 PolarHBondContact OG-N 3.4Å; M59-G106 VanDerWaalsContact CG-CA 3.43Å; M59-G106 PolarHBondContact N-O 3.33Å
60	L	67.3	Low	62.4	Low	92 Å²	92	40.9 Å²	40.9	48%	0.482	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	7	-174.5	-65.1	178	0	0	0	113.4	Y54 C58 E62	Y54-L60 HydrophobicContact CD2-CB 3.96Å; Y54-L60 WeakPolarHBondContact CD2-O 3.46Å; Y54-L60 HydrophobicContact CE2-CB 4.12Å; Y54-L60 WeakPolarHBondContact CE2-O 3.39Å; Y54-L60 HydrophobicContact CG-CB 4.35Å; C58-L60 VanDerWaalsContact C-N 3.28Å; C58-L60 PolarHBondContact O-N 2.91Å; L60-E62 PolarHBondContact O-N 3.14Å
61	T	70.5	Confident	63.2	Low	3 Å²	3	42 Å²	42	2%	0.018	23%	0.227	C	C	.	.			trans	-55.3	123.3	-177.8	-55.2	0	0	0	0	112	L35 H50 C58 K88 I89 V91	L35-T61 HydrophobicContact CD1-CG2 3.89Å; L35-T61 HydrophobicContact CD2-CG2 4.09Å; L35-T61 HydrophobicContact CG-CG2 4.31Å; H50-T61 WeakPolarHBondContact CE1-CG2 3.41Å; H50-T61 WeakPolarHBondContact NE2-CG2 3.48Å; C58-T61 WeakPolarHBondContact CA-OG1 3.45Å; C58-T61 WeakPolarHBondContact O-CB 3.25Å; C58-T61 PolarHBondContact O-N 2.75Å; C58-T61 PolarHBondContact O-OG1 3.46Å; T61-K88 WeakPolarHBondContact O-CA 3.49Å; T61-I89 HydrophobicContact CG2-CD1 3.88Å; T61-I89 HydrophobicContact CG2-CG1 3.82Å; T61-I89 PolarHBondContact O-N 3.39Å; T61-V91 HydrophobicContact CG2-CG2 3.7Å; T61-V91 WeakPolarHBondContact OG1-CG2 3.42Å
62	E	71.1	Confident	63.9	Low	37 Å²	37	41.9 Å²	41.9	17%	0.173	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.7	174.2	-176.5	174.1	-121.8	0	0	109.3	H50 P51 L60 R86	H50-E62 PolarHBondContact CE1-O 3.23Å; H50-E62 VanDerWaalsContact CE1-O 3.3Å; P51-E62 WeakPolarHBondContact CD-O 3.37Å; L60-E62 PolarHBondContact O-N 3.14Å; E62-R86 HydrophobicContact CG-CB 4.13Å; E62-R86 WeakPolarHBondContact OE1-CB 3.5Å
63	C	72.3	Confident	64.5	Low	1 Å²	1	43.3 Å²	43.3	1%	0.007	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.3	165.2	-61.2	0	0	0	0	107.8	C39 T43 R86 Q87 I89	C39-C63 WeakPolarHBondContact CA-SG 3.14Å; C39-C63 HydrophobicContact CB-CB 3.73Å; C39-C63 WeakPolarHBondContact CB-SG 3.34Å; C39-C63 WeakPolarHBondContact SG-CB 3.05Å; C39-C63 CovalentContact SG-SG 2.03Å; C39-C63 PolarHBondContact SG-SG 3.2Å; T43-C63 HydrophobicContact CG2-CB 3.86Å; C63-R86 WeakPolarHBondContact O-CA 3.39Å; C63-Q87 PolarHBondContact N-O 2.87Å; C63-Q87 PolarHBondContact O-N 3.33Å; C63-I89 HydrophobicContact CB-CG2 4.24Å; C63-I89 WeakPolarHBondContact SG-CD1 3.26Å; C63-I89 VanDerWaalsContact SG-CG1 3.55Å; C63-I89 WeakPolarHBondContact SG-CG2 3.34Å
64	A	68.9	Low	64.7	Low	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	145.2	166	0	0	0	0	0	108.9	F48 Y49 P51 Q85 R86	F48-A64 CarbonylContact C-O 3.59Å; F48-A64 WeakPolarHBondContact CA-O 3.39Å; F48-A64 WeakPolarHBondContact CB-O 3.39Å; Y49-A64 HydrophobicContact CD1-CB 4.24Å; Y49-A64 HydrophobicContact CD2-CB 4.12Å; Y49-A64 HydrophobicContact CE1-CB 3.76Å; Y49-A64 HydrophobicContact CE2-CB 3.65Å; Y49-A64 HydrophobicContact CG-CB 4.41Å; Y49-A64 VanDerWaalsContact CZ-CB 3.45Å; Y49-A64 PolarHBondContact N-O 3.32Å; Y49-A64 CarbonylContact O-C 3.49Å; Y49-A64 WeakPolarHBondContact O-CB 3.49Å; Y49-A64 PolarHBondContact O-N 2.93Å; P51-A64 HydrophobicContact CG-CB 4.21Å; A64-Q85 CarbonylContact C-O 3.39Å; A64-Q85 WeakPolarHBondContact CA-O 3.49Å; A64-R86 HydrophobicContact CB-CG 4.09Å
65	S	68.7	Low	64.9	Low	1 Å²	1	52.6 Å²	52.6	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159.7	171.4	61.5	0	0	0	0	110	N45 C47 Q85	N45-S65 VanDerWaalsContact CG-OG 3.31Å; N45-S65 WeakPolarHBondContact ND2-CB 3.49Å; N45-S65 PolarHBondContact ND2-OG 3.49Å; C47-S65 VanDerWaalsContact O-CA 3.26Å; C47-S65 WeakPolarHBondContact O-CA 3.1Å; C47-S65 VanDerWaalsContact O-CB 3.24Å; C47-S65 WeakPolarHBondContact O-CB 3.03Å; S65-Q85 PolarHBondContact N-O 2.89Å; S65-Q85 PolarHBondContact O-N 2.79Å
66	W	65.5	Low	64.7	Low	5 Å²	5	49.1 Å²	49.1	2%	0.019	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148	168	65.4	-91.6	0	0	0	110.3	C47 Y49 K68 I83 E84 C133 P188	C47-W66 VanDerWaalsContact CB-O 3.28Å; C47-W66 WeakPolarHBondContact CB-O 3.43Å; C47-W66 PolarHBondContact O-N 2.7Å; C47-W66 VanDerWaalsContact O-N 3.09Å; Y49-W66 AromaticContact CD1-CD1 3.78Å; Y49-W66 AromaticContact CE1-CD1 3.76Å; W66-K68 HydrophobicContact CE3-CG 4.37Å; W66-K68 HydrophobicContact CZ3-CD 4.25Å; W66-K68 HydrophobicContact CZ3-CG 3.89Å; W66-I83 CarbonylContact C-O 3.51Å; W66-I83 WeakPolarHBondContact CA-O 3.31Å; W66-E84 HydrophobicContact CB-CG 4.47Å; W66-C133 HydrophobicContact CH2-CB 4.39Å; W66-C133 HydrophobicContact CZ3-CB 4.23Å; W66-P188 HydrophobicContact CZ2-CB 4.47Å; W66-P188 HydrophobicContact CZ2-CG 4.43Å; W66-P188 VanDerWaalsContact NE1-CD 3.26Å
67	E	66.4	Low	64.3	Low	30 Å²	30	46 Å²	46	14%	0.14	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.6	171.4	-72.9	171.3	159.1	0	0	108.6	N45 I83 C133 K135	N45-E67 VanDerWaalsContact ND2-CD 3.27Å; N45-E67 WeakPolarHBondContact ND2-CG 3.39Å; N45-E67 PolarHBondContact ND2-OE1 3.06Å; N45-E67 PolarHBondContact OD1-OE1 3.33Å; E67-I83 PolarHBondContact N-O 3.09Å; E67-I83 PolarHBondContact O-N 2.72Å; E67-C133 CarbonylContact C-O 3.34Å; E67-C133 WeakPolarHBondContact CA-O 3.34Å; E67-K135 HydrophobicContact CB-CB 4.33Å
68	K	62.2	Low	63.6	Low	42 Å²	42	45.2 Å²	45.2	18%	0.183	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.4	162.8	-79.5	176.1	-179	-176.3	0	107.1	W66 I80 T81 C133 L134 K135 Y200	W66-K68 HydrophobicContact CE3-CG 4.37Å; W66-K68 HydrophobicContact CZ3-CD 4.25Å; W66-K68 HydrophobicContact CZ3-CG 3.89Å; K68-I80 HydrophobicContact CB-CG2 4.23Å; K68-I80 HydrophobicContact CD-CG2 4.4Å; K68-I80 HydrophobicContact CG-CG2 4.26Å; K68-T81 CarbonylContact C-O 3.55Å; K68-T81 WeakPolarHBondContact CA-O 2.88Å; K68-C133 PolarHBondContact N-O 2.99Å; K68-L134 HydrophobicContact CB-CD2 3.92Å; K68-L134 WeakPolarHBondContact O-CA 3.15Å; K68-K135 PolarHBondContact O-N 2.9Å; K68-Y200 PolarHBondContact NZ-O 2.96Å
69	E	70.6	Confident	62.7	Low	43 Å²	43	49.1 Å²	49.1	20%	0.201	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.2	171.7	-179.2	174.2	-118.7	0	0	109.8	I80 T81 I83 K135	E69-I80 WeakPolarHBondContact O-CA 3.36Å; E69-T81 PolarHBondContact N-O 3.05Å; E69-T81 PolarHBondContact O-N 2.89Å; E69-I83 HydrophobicContact CB-CD1 3.63Å; E69-I83 HydrophobicContact CB-CG1 3.98Å; E69-I83 HydrophobicContact CG-CD1 4.22Å; E69-K135 CarbonylContact C-O 3.34Å; E69-K135 VanDerWaalsContact CA-O 3.23Å; E69-K135 WeakPolarHBondContact CA-O 3.37Å; E69-K135 HydrophobicContact CB-CB 4.13Å; E69-K135 HydrophobicContact CB-CD 4.46Å; E69-K135 HydrophobicContact CG-CB 4.37Å; E69-K135 HydrophobicContact CG-CD 4.33Å; E69-K135 HydrophobicContact CG-CG 4.43Å; E69-K135 WeakPolarHBondContact OE1-CD 3.48Å; E69-K135 WeakPolarHBondContact OE1-CE 3.34Å; E69-K135 IonicContact OE1-NZ 2.76Å; E69-K135 PolarHBondContact OE1-NZ 2.87Å
70	L	65.5	Low	62.1	Low	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	113.5	174.1	-76.3	82	0	0	0	108.3	L78 Q79 I80 L134 K135 F136 G137 I141 I145 L175	L70-L78 HydrophobicContact CB-CD1 4.28Å; L70-L78 HydrophobicContact CD2-CD1 4.37Å; L70-L78 HydrophobicContact CD2-CD2 4.23Å; L70-Q79 WeakPolarHBondContact CA-O 3.4Å; L70-I80 HydrophobicContact CG-CD1 4.44Å; L70-I80 HydrophobicContact CG-CG1 4.28Å; L70-L134 HydrophobicContact CD1-CB 4.17Å; L70-L134 HydrophobicContact CD1-CD1 4.38Å; L70-L134 HydrophobicContact CD1-CD2 3.58Å; L70-L134 HydrophobicContact CD1-CG 4.23Å; L70-K135 PolarHBondContact N-O 2.87Å; L70-F136 HydrophobicContact CB-CD1 4.24Å; L70-F136 HydrophobicContact CD2-CE1 4.42Å; L70-G137 PolarHBondContact O-N 2.89Å; L70-I141 HydrophobicContact CB-CG2 4Å; L70-I145 HydrophobicContact CD2-CD1 4.1Å; L70-I145 HydrophobicContact CD2-CG1 4.02Å; L70-L175 HydrophobicContact CD1-CD2 4.29Å; L70-L175 HydrophobicContact CD2-CD1 3.98Å; L70-L175 HydrophobicContact CD2-CD2 3.65Å; L70-L175 HydrophobicContact CD2-CG 4.48Å
71	S	64.4	Low	61.7	Low	31 Å²	31	44 Å²	44	22%	0.217	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	170.1	177.5	59.9	0	0	0	0	110.7	L78 Q79	S71-L78 CarbonylContact O-C 3.48Å; S71-L78 WeakPolarHBondContact O-CA 3.22Å; S71-Q79 PolarHBondContact N-O 3.07Å; S71-Q79 PolarHBondContact O-N 2.94Å
72	L	60.6	Low	61.5	Low	52 Å²	52	49.3 Å²	49.3	27%	0.272	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.9	167.8	-62.4	172.5	0	0	0	108	M77 L78 I141 M167	L72-M77 CarbonylContact C-O 3.55Å; L72-M77 VanDerWaalsContact CA-O 3.27Å; L72-M77 WeakPolarHBondContact CA-O 3.34Å; L72-L78 HydrophobicContact CD2-CB 4.33Å; L72-L78 HydrophobicContact CD2-CD1 4.26Å; L72-I141 HydrophobicContact CB-CD1 4.47Å; L72-I141 HydrophobicContact CD1-CD1 4.32Å; L72-I141 HydrophobicContact CD1-CG1 4.14Å; L72-I141 HydrophobicContact CG-CD1 3.72Å; L72-I141 HydrophobicContact CG-CG1 3.95Å; L72-M167 HydrophobicContact CD1-CE 3.95Å; L72-M167 HydrophobicContact CD2-CE 4.13Å; L72-M167 HydrophobicContact CD2-CG 4.13Å; L72-M167 HydrophobicContact CD2-SD 3.97Å
73	D	57.2	Low	61.4	Low	51 Å²	51	49.2 Å²	49.2	27%	0.273	25%	0.25	S	S	.	.			trans	-78.3	-178.7	167.2	67.1	21	0	0	0	112	N75 G76 M77 Q79	D73-N75 PolarHBondContact O-N 3.49Å; D73-N75 VanDerWaalsContact O-N 3.1Å; D73-N75 WeakPolarHBondContact OD1-CA 3.39Å; D73-N75 WeakPolarHBondContact OD1-CB 3.34Å; D73-N75 PolarHBondContact OD1-N 3.37Å; D73-G76 PolarHBondContact O-N 3.5Å; D73-G76 PolarHBondContact OD1-N 3.13Å; D73-M77 PolarHBondContact N-O 3.29Å; D73-M77 WeakPolarHBondContact OD1-CB 3.49Å; D73-M77 PolarHBondContact OD1-N 2.81Å; D73-M77 WeakPolarHBondContact OD2-CB 2.92Å; D73-Q79 HydrophobicContact CB-CG 3.82Å; D73-Q79 PolarHBondContact OD2-NE2 3.33Å
74	E	54.9	Low	61.4	Low	202 Å²	202	53.8 Å²	53.8	94%	0.944	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.3	180	-58.7	-179.5	-179.1	0	0	113.3
75	N	50.6	Low	61.5	Low	131 Å²	131	57.4 Å²	57.4	70%	0.701	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	2.9	178.4	-59.5	-52.4	0	0	0	112.6	D73 M77	D73-N75 PolarHBondContact O-N 3.49Å; D73-N75 VanDerWaalsContact O-N 3.1Å; D73-N75 WeakPolarHBondContact OD1-CA 3.39Å; D73-N75 WeakPolarHBondContact OD1-CB 3.34Å; D73-N75 PolarHBondContact OD1-N 3.37Å; N75-M77 VanDerWaalsContact C-N 3.28Å; N75-M77 HydrophobicContact CB-CG 4.25Å
76	G	50.6	Low	61.9	Low	30 Å²	30	64.4 Å²	64.4	31%	0.309	32%	0.315	S	S	.	.	S	Bend	trans	74.8	17.3	-175.7	0	0	0	0	0	113.5	D73	D73-G76 PolarHBondContact O-N 3.5Å; D73-G76 PolarHBondContact OD1-N 3.13Å
77	M	51.2	Low	62.3	Low	56 Å²	56	68.4 Å²	68.4	28%	0.276	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-85.1	137.1	175.4	-60.9	-69.6	-64.2	0	0	110	L72 D73 N75 Q79 H164 P166	L72-M77 CarbonylContact C-O 3.55Å; L72-M77 VanDerWaalsContact CA-O 3.27Å; L72-M77 WeakPolarHBondContact CA-O 3.34Å; D73-M77 PolarHBondContact N-O 3.29Å; D73-M77 WeakPolarHBondContact OD1-CB 3.49Å; D73-M77 PolarHBondContact OD1-N 2.81Å; D73-M77 WeakPolarHBondContact OD2-CB 2.92Å; N75-M77 VanDerWaalsContact C-N 3.28Å; N75-M77 HydrophobicContact CB-CG 4.25Å; M77-Q79 PolarHBondContact O-N 3.01Å; M77-H164 HydrophobicContact SD-CB 4.15Å; M77-P166 HydrophobicContact CB-CG 4.48Å; M77-P166 HydrophobicContact CE-CB 4.28Å; M77-P166 HydrophobicContact CE-CG 3.73Å; M77-P166 WeakPolarHBondContact SD-CD 3.35Å; M77-P166 HydrophobicContact SD-CG 3.73Å
78	L	54	Low	62.8	Low	9 Å²	9	73.9 Å²	73.9	5%	0.047	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	120.8	174.5	-168.7	92.8	0	0	0	110.6	L70 S71 L72 I80 I141 M167 F173 L202 I204	L70-L78 HydrophobicContact CB-CD1 4.28Å; L70-L78 HydrophobicContact CD2-CD1 4.37Å; L70-L78 HydrophobicContact CD2-CD2 4.23Å; S71-L78 CarbonylContact O-C 3.48Å; S71-L78 WeakPolarHBondContact O-CA 3.22Å; L72-L78 HydrophobicContact CD2-CB 4.33Å; L72-L78 HydrophobicContact CD2-CD1 4.26Å; L78-I80 HydrophobicContact CD2-CD1 4.15Å; L78-I80 HydrophobicContact CD2-CG1 3.98Å; L78-I141 HydrophobicContact CD1-CG2 4.03Å; L78-M167 HydrophobicContact CD1-SD 4.39Å; L78-F173 HydrophobicContact CB-CZ 4.12Å; L78-F173 HydrophobicContact CD2-CE1 3.54Å; L78-F173 HydrophobicContact CD2-CZ 3.73Å; L78-F173 HydrophobicContact CG-CE1 4.43Å; L78-F173 HydrophobicContact CG-CZ 4.38Å; L78-L202 HydrophobicContact CD2-CD2 3.73Å; L78-I204 HydrophobicContact CB-CD1 4.2Å; L78-I204 HydrophobicContact CD2-CD1 4.48Å
79	Q	54.4	Low	63.3	Low	83 Å²	83	72.2 Å²	72.2	39%	0.388	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	139.2	169.6	-63.8	-62.5	-24.1	0	0	109.3	L70 S71 D73 M77	L70-Q79 WeakPolarHBondContact CA-O 3.4Å; S71-Q79 PolarHBondContact N-O 3.07Å; S71-Q79 PolarHBondContact O-N 2.94Å; D73-Q79 HydrophobicContact CB-CG 3.82Å; D73-Q79 PolarHBondContact OD2-NE2 3.33Å; M77-Q79 PolarHBondContact O-N 3.01Å
80	I	57.9	Low	63.4	Low	57 Å²	57	75.6 Å²	75.6	29%	0.292	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.9	171.1	-61.6	-169.1	0	0	0	108.4	K68 E69 L70 L78 L175 L202	K68-I80 HydrophobicContact CB-CG2 4.23Å; K68-I80 HydrophobicContact CD-CG2 4.4Å; K68-I80 HydrophobicContact CG-CG2 4.26Å; E69-I80 WeakPolarHBondContact O-CA 3.36Å; L70-I80 HydrophobicContact CG-CD1 4.44Å; L70-I80 HydrophobicContact CG-CG1 4.28Å; L78-I80 HydrophobicContact CD2-CD1 4.15Å; L78-I80 HydrophobicContact CD2-CG1 3.98Å; I80-L175 HydrophobicContact CD1-CD1 3.71Å; I80-L202 HydrophobicContact CD1-CB 3.61Å; I80-L202 HydrophobicContact CD1-CD2 3.28Å; I80-L202 HydrophobicContact CD1-CG 3.96Å; I80-L202 HydrophobicContact CG1-CD2 4.14Å
81	T	59	Low	63.8	Low	61 Å²	61	76.3 Å²	76.3	37%	0.374	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.8	174.2	56.4	0	0	0	0	109.7	K68 E69	K68-T81 CarbonylContact C-O 3.55Å; K68-T81 WeakPolarHBondContact CA-O 2.88Å; E69-T81 PolarHBondContact N-O 3.05Å; E69-T81 PolarHBondContact O-N 2.89Å
82	R	65.1	Low	64.3	Low	113 Å²	113	77.2 Å²	77.2	43%	0.426	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121	170.6	178.9	175.6	171.8	164.7	-5.4	107.9	E84	R82-E84 HydrophobicContact CG-CG 4.19Å; R82-E84 IonicContact CZ-OE1 3.74Å; R82-E84 IonicContact NE-OE1 2.8Å; R82-E84 PolarHBondContact NE-OE1 3.25Å; R82-E84 IonicContact NH2-OE1 3.29Å; R82-E84 PolarHBondContact NH2-OE1 3Å
83	I	68.5	Low	65.1	Low	35 Å²	35	79 Å²	79	18%	0.179	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.1	169.4	-57.9	-178.4	0	0	0	107	W66 E67 E69 Q85 K135	W66-I83 CarbonylContact C-O 3.51Å; W66-I83 WeakPolarHBondContact CA-O 3.31Å; E67-I83 PolarHBondContact N-O 3.09Å; E67-I83 PolarHBondContact O-N 2.72Å; E69-I83 HydrophobicContact CB-CD1 3.63Å; E69-I83 HydrophobicContact CB-CG1 3.98Å; E69-I83 HydrophobicContact CG-CD1 4.22Å; I83-Q85 HydrophobicContact CG2-CG 4.13Å; I83-K135 HydrophobicContact CD1-CD 3.64Å
84	E	73.2	Confident	66.1	Low	97 Å²	97	79.6 Å²	79.6	45%	0.453	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.4	168.1	-60	-164	160.2	0	0	109.5	W66 R82	W66-E84 HydrophobicContact CB-CG 4.47Å; R82-E84 HydrophobicContact CG-CG 4.19Å; R82-E84 IonicContact CZ-OE1 3.74Å; R82-E84 IonicContact NE-OE1 2.8Å; R82-E84 PolarHBondContact NE-OE1 3.25Å; R82-E84 IonicContact NH2-OE1 3.29Å; R82-E84 PolarHBondContact NH2-OE1 3Å
85	Q	71.8	Confident	66.9	Low	76 Å²	76	70 Å²	70	36%	0.355	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.4	175	-69.9	172.2	-10.9	0	0	108.4	N45 A64 S65 I83	N45-Q85 PolarHBondContact ND2-OE1 3.24Å; A64-Q85 CarbonylContact C-O 3.39Å; A64-Q85 WeakPolarHBondContact CA-O 3.49Å; S65-Q85 PolarHBondContact N-O 2.89Å; S65-Q85 PolarHBondContact O-N 2.79Å; I83-Q85 HydrophobicContact CG2-CG 4.13Å
86	R	75.8	Confident	68	Low	148 Å²	148	66.1 Å²	66.1	56%	0.558	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	131.8	171.5	-62.2	-169.7	-173.6	-171.4	3.5	108.6	E62 C63 A64	E62-R86 HydrophobicContact CG-CB 4.13Å; E62-R86 WeakPolarHBondContact OE1-CB 3.5Å; C63-R86 WeakPolarHBondContact O-CA 3.39Å; A64-R86 HydrophobicContact CB-CG 4.09Å
87	Q	74.2	Confident	68.9	Low	90 Å²	90	65.1 Å²	65.1	42%	0.421	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	126.3	-177.8	-172.2	174	0.7	0	0	109.7	T43 C63	T43-Q87 HydrophobicContact CG2-CB 4.1Å; C63-Q87 PolarHBondContact N-O 2.87Å; C63-Q87 PolarHBondContact O-N 3.33Å
88	K	77.3	Confident	69.6	Low	145 Å²	145	63.7 Å²	63.7	63%	0.63	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	133.1	167.5	-67.2	-175.3	179	-177.9	0	109	T61	T61-K88 WeakPolarHBondContact O-CA 3.49Å
89	I	72.7	Confident	70.3	Confident	6 Å²	6	69.3 Å²	69.3	3%	0.031	34%	0.343	C	S	.	.			trans	-116.6	151.6	-179.5	56.5	153.8	0	0	0	111.3	L35 V38 Q42 T61 C63 V91	L35-I89 HydrophobicContact CD1-CD1 3.95Å; V38-I89 HydrophobicContact CB-CD1 4.31Å; V38-I89 HydrophobicContact CG1-CD1 3.62Å; Q42-I89 HydrophobicContact CB-CG2 3.88Å; Q42-I89 HydrophobicContact CG-CG2 4.48Å; Q42-I89 VanDerWaalsContact OE1-CB 3.24Å; T61-I89 HydrophobicContact CG2-CD1 3.88Å; T61-I89 HydrophobicContact CG2-CG1 3.82Å; T61-I89 PolarHBondContact O-N 3.39Å; C63-I89 HydrophobicContact CB-CG2 4.24Å; C63-I89 WeakPolarHBondContact SG-CD1 3.26Å; C63-I89 VanDerWaalsContact SG-CG1 3.55Å; C63-I89 WeakPolarHBondContact SG-CG2 3.34Å; I89-V91 HydrophobicContact CD1-CG2 4.09Å; I89-V91 HydrophobicContact CG1-CG2 4.3Å; I89-V91 PolarHBondContact O-N 3.01Å
90	T	72.6	Confident	71.2	Confident	115 Å²	115	66.6 Å²	66.6	71%	0.706	34%	0.338	S	S	*	.			trans	-81.8	109.6	165.9	-57.1	0	0	0	0	107.8	Q42 P92	Q42-T90 PolarHBondContact NE2-O 2.9Å; T90-P92 WeakPolarHBondContact O-CD 3Å
91	V	74.2	Confident	72.1	Confident	15 Å²	15	67.3 Å²	67.3	9%	0.091	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-75.1	122.3	177.1	-177.6	0	0	0	0	109.2	L35 C58 T61 I89 C103	L35-V91 HydrophobicContact CD1-CG1 4.12Å; L35-V91 HydrophobicContact CD1-CG2 3.94Å; C58-V91 HydrophobicContact CB-CB 4.04Å; C58-V91 HydrophobicContact CB-CG1 4.07Å; C58-V91 HydrophobicContact CB-CG2 4.2Å; C58-V91 WeakPolarHBondContact O-CG2 3.49Å; T61-V91 HydrophobicContact CG2-CG2 3.7Å; T61-V91 WeakPolarHBondContact OG1-CG2 3.42Å; I89-V91 HydrophobicContact CD1-CG2 4.09Å; I89-V91 HydrophobicContact CG1-CG2 4.3Å; I89-V91 PolarHBondContact O-N 3.01Å; V91-C103 HydrophobicContact CG1-CB 3.74Å
92	P	73.7	Confident	73	Confident	49 Å²	49	65.4 Å²	65.4	32%	0.318	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-60.9	145.3	175.4	-19.6	29.8	0	0	0	111.5	P33 V38 T90 S95	P33-P92 HydrophobicContact CG-CB 4.36Å; V38-P92 HydrophobicContact CG1-CG 4.28Å; V38-P92 HydrophobicContact CG2-CG 3.92Å; T90-P92 WeakPolarHBondContact O-CD 3Å; P92-S95 WeakPolarHBondContact CB-OG 3.39Å; P92-S95 WeakPolarHBondContact CD-OG 3.38Å; P92-S95 VanDerWaalsContact O-CB 3.24Å; P92-S95 WeakPolarHBondContact O-CB 3.49Å; P92-S95 PolarHBondContact O-N 3.36Å; P92-S95 VanDerWaalsContact O-N 3.13Å; P92-S95 PolarHBondContact O-OG 3.04Å
93	E	79.2	Confident	73.6	Confident	89 Å²	89	60.1 Å²	60.1	42%	0.416	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	142.9	169.8	-77.7	-70.2	137.4	0	0	111.1	S95 S104 G105	E93-S95 PolarHBondContact O-N 2.62Å; E93-S104 WeakPolarHBondContact OE2-CA 3.43Å; E93-S104 WeakPolarHBondContact OE2-CB 3.08Å; E93-S104 PolarHBondContact OE2-OG 2.84Å; E93-G105 PolarHBondContact OE1-N 3.24Å
94	H	77.3	Confident	74.4	Confident	64 Å²	64	60.5 Å²	60.5	30%	0.296	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	7.5	-177.3	-45.9	126	0	0	0	115.9	V32 W102 C103	V32-H94 WeakPolarHBondContact CG1-O 3.48Å; H94-W102 HydrophobicContact CB-CD2 4.08Å; H94-W102 HydrophobicContact CB-CE3 3.77Å; H94-W102 HydrophobicContact CB-CZ3 4.08Å; H94-W102 AromaticContact CD2-CD2 3.92Å; H94-W102 AromaticContact CD2-CE2 3.63Å; H94-W102 AromaticContact CD2-CH2 3.85Å; H94-W102 AromaticContact CD2-CZ2 3.59Å; H94-C103 WeakPolarHBondContact CA-O 3.41Å; H94-C103 PolarHBondContact N-O 2.9Å
95	S	72.7	Confident	74.8	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.32	C	S	.	.			trans	-65.8	145.3	171.3	-55.4	0	0	0	0	111.5	P33 P92 E93 C97 W102 C103	P33-S95 WeakPolarHBondContact O-CB 3.16Å; P92-S95 WeakPolarHBondContact CB-OG 3.39Å; P92-S95 WeakPolarHBondContact CD-OG 3.38Å; P92-S95 VanDerWaalsContact O-CB 3.24Å; P92-S95 WeakPolarHBondContact O-CB 3.49Å; P92-S95 PolarHBondContact O-N 3.36Å; P92-S95 VanDerWaalsContact O-N 3.13Å; P92-S95 PolarHBondContact O-OG 3.04Å; E93-S95 PolarHBondContact O-N 2.62Å; S95-C97 PolarHBondContact O-N 3.44Å; S95-W102 CarbonylContact O-C 3.4Å; S95-W102 WeakPolarHBondContact O-CA 3.15Å; S95-W102 WeakPolarHBondContact O-CB 3.24Å; S95-C103 PolarHBondContact O-N 2.89Å
96	L	72.1	Confident	75.1	Confident	50 Å²	50	55.7 Å²	55.7	26%	0.262	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	123.7	176.3	-82.4	-179.9	0	0	0	111.4	V32 K101 I111 P118	V32-L96 HydrophobicContact CG1-CB 4.23Å; V32-L96 HydrophobicContact CG1-CD2 4.44Å; V32-L96 HydrophobicContact CG1-CG 3.67Å; L96-K101 WeakPolarHBondContact CD2-O 3.47Å; L96-I111 HydrophobicContact CD2-CD1 3.99Å; L96-P118 HydrophobicContact CD1-CB 3.97Å; L96-P118 HydrophobicContact CD1-CG 3.54Å; L96-P118 HydrophobicContact CD2-CG 3.52Å; L96-P118 HydrophobicContact CG-CG 3.77Å
97	C	70.6	Confident	75.4	Confident	9 Å²	9	54.5 Å²	54.5	6%	0.061	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-2.8	175.5	58	0	0	0	0	113	A53 S95 K101 W102 C108	A53-C97 WeakPolarHBondContact CB-O 3.09Å; S95-C97 PolarHBondContact O-N 3.44Å; C97-K101 PolarHBondContact N-O 2.94Å; C97-W102 VanDerWaalsContact SG-CA 3.59Å; C97-W102 PolarHBondContact SG-O 2.86Å; C97-W102 VanDerWaalsContact SG-O 3.4Å; C97-C108 HydrophobicContact CB-CB 4.01Å; C97-C108 WeakPolarHBondContact CB-SG 3.37Å; C97-C108 WeakPolarHBondContact SG-CA 3.09Å; C97-C108 WeakPolarHBondContact SG-CB 3.25Å; C97-C108 CovalentContact SG-SG 2.03Å; C97-C108 PolarHBondContact SG-SG 2.81Å
98	G	65.6	Low	75.6	Confident	26 Å²	26	50.7 Å²	50.7	27%	0.268	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177.1	-179.1	178.3	0	0	0	0	0	112.2	G100 K101	G98-G100 PolarHBondContact O-N 3.12Å; G98-K101 PolarHBondContact N-O 2.89Å; G98-K101 PolarHBondContact O-N 3.28Å; G98-K101 VanDerWaalsContact O-N 3.09Å
99	D	68.4	Low	75.9	Confident	128 Å²	128	46.2 Å²	46.2	68%	0.684	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	105.2	-177.9	-97.8	-4.4	0	0	0	112	K101 K120	D99-K101 PolarHBondContact O-N 3Å; D99-K120 VanDerWaalsContact CG-CE 3.49Å; D99-K120 WeakPolarHBondContact OD1-CE 3.33Å; D99-K120 IonicContact OD1-NZ 3.09Å; D99-K120 PolarHBondContact OD1-NZ 2.8Å; D99-K120 VanDerWaalsContact OD1-NZ 3.09Å; D99-K120 IonicContact OD2-NZ 2.72Å; D99-K120 PolarHBondContact OD2-NZ 3.4Å
100	G	73.5	Confident	76.4	Confident	26 Å²	26	49.4 Å²	49.4	27%	0.268	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	18.9	-177.2	0	0	0	0	0	113.7	G98 I111	G98-G100 PolarHBondContact O-N 3.12Å; G100-I111 WeakPolarHBondContact O-CG1 3.48Å; G100-I111 PolarHBondContact O-N 3.48Å
101	K	76.3	Confident	76.7	Confident	71 Å²	71	44.3 Å²	44.3	31%	0.309	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145	178.1	-61.8	-175.8	177.2	-171.4	0	111.2	L96 C97 G98 D99 C108 V109	L96-K101 WeakPolarHBondContact CD2-O 3.47Å; C97-K101 PolarHBondContact N-O 2.94Å; G98-K101 PolarHBondContact N-O 2.89Å; G98-K101 PolarHBondContact O-N 3.28Å; G98-K101 VanDerWaalsContact O-N 3.09Å; D99-K101 PolarHBondContact O-N 3Å; K101-C108 VanDerWaalsContact CB-SG 3.5Å; K101-V109 CarbonylContact C-O 3.54Å; K101-V109 WeakPolarHBondContact CA-O 3Å; K101-V109 WeakPolarHBondContact CB-O 3.28Å
102	W	79.2	Confident	76.7	Confident	21 Å²	21	46.7 Å²	46.7	8%	0.08	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	164.4	174.5	65.8	15.2	0	0	0	112.1	H94 S95 C97 V109 I111 P112 Q115	H94-W102 HydrophobicContact CB-CD2 4.08Å; H94-W102 HydrophobicContact CB-CE3 3.77Å; H94-W102 HydrophobicContact CB-CZ3 4.08Å; H94-W102 AromaticContact CD2-CD2 3.92Å; H94-W102 AromaticContact CD2-CE2 3.63Å; H94-W102 AromaticContact CD2-CH2 3.85Å; H94-W102 AromaticContact CD2-CZ2 3.59Å; S95-W102 CarbonylContact O-C 3.4Å; S95-W102 WeakPolarHBondContact O-CA 3.15Å; S95-W102 WeakPolarHBondContact O-CB 3.24Å; C97-W102 VanDerWaalsContact SG-CA 3.59Å; C97-W102 PolarHBondContact SG-O 2.86Å; C97-W102 VanDerWaalsContact SG-O 3.4Å; W102-V109 PolarHBondContact N-O 2.03Å; W102-V109 PolarHBondContact O-N 3.3Å; W102-I111 HydrophobicContact CB-CG1 4.02Å; W102-I111 HydrophobicContact CD2-CB 4.45Å; W102-I111 HydrophobicContact CD2-CG1 3.81Å; W102-I111 HydrophobicContact CD2-CG2 4.46Å; W102-I111 HydrophobicContact CE3-CD1 4.48Å; W102-I111 HydrophobicContact CE3-CG1 3.96Å; W102-I111 HydrophobicContact CE3-CG2 4.17Å; W102-I111 HydrophobicContact CG-CG1 3.83Å; W102-I111 HydrophobicContact CH2-CG2 4.48Å; W102-I111 HydrophobicContact CZ3-CG2 4.17Å; W102-P112 HydrophobicContact CZ2-CG 4Å; W102-Q115 HydrophobicContact CH2-CB 4.28Å; W102-Q115 HydrophobicContact CH2-CG 3.78Å; W102-Q115 HydrophobicContact CZ3-CB 4.46Å; W102-Q115 HydrophobicContact CZ3-CG 4.38Å
103	C	77.4	Confident	76.5	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.02	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	123.3	176.4	-177	0	0	0	0	110.2	C58 V91 H94 S95 E107	C58-C103 HydrophobicContact CB-CB 3.54Å; C58-C103 WeakPolarHBondContact CB-SG 3.49Å; C58-C103 WeakPolarHBondContact SG-CA 3.26Å; C58-C103 WeakPolarHBondContact SG-CB 3.39Å; C58-C103 CovalentContact SG-SG 2.02Å; C58-C103 PolarHBondContact SG-SG 2.8Å; V91-C103 HydrophobicContact CG1-CB 3.74Å; H94-C103 WeakPolarHBondContact CA-O 3.41Å; H94-C103 PolarHBondContact N-O 2.9Å; S95-C103 PolarHBondContact O-N 2.89Å; C103-E107 CarbonylContact C-O 3.46Å; C103-E107 WeakPolarHBondContact CA-O 3.39Å
104	S	84.2	Confident	75.8	Confident	43 Å²	43	60.1 Å²	60.1	30%	0.301	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	131.1	166	-162.6	0	0	0	0	113.5	E93 G106 E107	E93-S104 WeakPolarHBondContact OE2-CA 3.43Å; E93-S104 WeakPolarHBondContact OE2-CB 3.08Å; E93-S104 PolarHBondContact OE2-OG 2.84Å; S104-G106 PolarHBondContact O-N 3Å; S104-G106 VanDerWaalsContact O-N 3.13Å; S104-E107 PolarHBondContact N-O 2.91Å; S104-E107 PolarHBondContact O-N 3.47Å
105	G	82.7	Confident	75.3	Confident	63 Å²	63	59.8 Å²	59.8	65%	0.649	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	20.3	-175.3	0	0	0	0	0	113.3	E93	E93-G105 PolarHBondContact OE1-N 3.24Å
106	G	78	Confident	74.8	Confident	8 Å²	8	64.1 Å²	64.1	8%	0.082	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-0.2	-173.9	0	0	0	0	0	116.1	S57 C58 M59 S104	S57-G106 PolarHBondContact OG-O 2.89Å; C58-G106 PolarHBondContact N-O 2.99Å; C58-G106 VanDerWaalsContact SG-CA 3.54Å; C58-G106 PolarHBondContact SG-O 3.02Å; C58-G106 VanDerWaalsContact SG-O 3.41Å; M59-G106 VanDerWaalsContact CG-CA 3.43Å; M59-G106 PolarHBondContact N-O 3.33Å; S104-G106 PolarHBondContact O-N 3Å; S104-G106 VanDerWaalsContact O-N 3.13Å
107	E	82.7	Confident	74.1	Confident	123 Å²	123	69.8 Å²	69.8	58%	0.575	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	151.1	178.8	-63.4	-171	167.3	0	0	112.1	C103 S104 V109	C103-E107 CarbonylContact C-O 3.46Å; C103-E107 WeakPolarHBondContact CA-O 3.39Å; S104-E107 PolarHBondContact N-O 2.91Å; S104-E107 PolarHBondContact O-N 3.47Å; E107-V109 HydrophobicContact CB-CG1 3.94Å; E107-V109 PolarHBondContact O-N 3.09Å
108	C	77.7	Confident	73.5	Confident	11 Å²	11	71.4 Å²	71.4	7%	0.074	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	91.3	174.7	-168.2	0	0	0	0	110.3	D56 C97 K101	D56-C108 PolarHBondContact O-N 3.32Å; D56-C108 VanDerWaalsContact O-N 3.14Å; C97-C108 HydrophobicContact CB-CB 4.01Å; C97-C108 WeakPolarHBondContact CB-SG 3.37Å; C97-C108 WeakPolarHBondContact SG-CA 3.09Å; C97-C108 WeakPolarHBondContact SG-CB 3.25Å; C97-C108 CovalentContact SG-SG 2.03Å; C97-C108 PolarHBondContact SG-SG 2.81Å; K101-C108 VanDerWaalsContact CB-SG 3.5Å
109	V	83.1	Confident	72.9	Confident	50 Å²	50	78.8 Å²	78.8	30%	0.303	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	156.1	-172.3	-57.4	0	0	0	0	112.3	K101 W102 E107 I111	K101-V109 CarbonylContact C-O 3.54Å; K101-V109 WeakPolarHBondContact CA-O 3Å; K101-V109 WeakPolarHBondContact CB-O 3.28Å; W102-V109 PolarHBondContact N-O 2.03Å; W102-V109 PolarHBondContact O-N 3.3Å; E107-V109 HydrophobicContact CB-CG1 3.94Å; E107-V109 PolarHBondContact O-N 3.09Å; V109-I111 PolarHBondContact O-N 3.29Å
110	A	84.1	Confident	72	Confident	73 Å²	73	79.2 Å²	79.2	60%	0.603	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	136.4	176.6	0	0	0	0	0	111.4	P112	A110-P112 WeakPolarHBondContact O-CD 3.48Å
111	I	77.6	Confident	70.8	Confident	8 Å²	8	83.1 Å²	83.1	4%	0.041	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-65.4	125	173.6	-61.7	171.1	0	0	0	108.1	L96 G100 W102 V109 E113 Q115 P118	L96-I111 HydrophobicContact CD2-CD1 3.99Å; G100-I111 WeakPolarHBondContact O-CG1 3.48Å; G100-I111 PolarHBondContact O-N 3.48Å; W102-I111 HydrophobicContact CB-CG1 4.02Å; W102-I111 HydrophobicContact CD2-CB 4.45Å; W102-I111 HydrophobicContact CD2-CG1 3.81Å; W102-I111 HydrophobicContact CD2-CG2 4.46Å; W102-I111 HydrophobicContact CE3-CD1 4.48Å; W102-I111 HydrophobicContact CE3-CG1 3.96Å; W102-I111 HydrophobicContact CE3-CG2 4.17Å; W102-I111 HydrophobicContact CG-CG1 3.83Å; W102-I111 HydrophobicContact CH2-CG2 4.48Å; W102-I111 HydrophobicContact CZ3-CG2 4.17Å; V109-I111 PolarHBondContact O-N 3.29Å; I111-E113 PolarHBondContact O-N 3.27Å; I111-Q115 HydrophobicContact CG2-CB 3.75Å; I111-P118 HydrophobicContact CD1-CG 4.4Å
112	P	75.4	Confident	69.3	Low	66 Å²	66	88.7 Å²	88.7	43%	0.429	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-55	139.1	178.2	-24.9	33.6	0	0	0	111.7	W102 A110 R114 Q115	W102-P112 HydrophobicContact CZ2-CG 4Å; A110-P112 WeakPolarHBondContact O-CD 3.48Å; P112-R114 PolarHBondContact O-N 2.89Å; P112-Q115 HydrophobicContact CB-CG 4.33Å; P112-Q115 WeakPolarHBondContact O-CB 3.12Å; P112-Q115 PolarHBondContact O-N 2.82Å
113	E	69.3	Low	67.8	Low	177 Å²	177	91.6 Å²	91.6	83%	0.827	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.8	-173.1	-66.4	-171.8	157.6	0	0	114.9	I111 Q115	I111-E113 PolarHBondContact O-N 3.27Å; E113-Q115 VanDerWaalsContact C-N 3.26Å; E113-Q115 PolarHBondContact O-N 3.3Å
114	R	64.5	Low	66.2	Low	242 Å²	242	96.6 Å²	96.6	91%	0.913	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.5	-179.7	-63.3	-175.9	-178.7	-175.6	0.6	113.6	P112	P112-R114 PolarHBondContact O-N 2.89Å
115	Q	65.5	Low	64.4	Low	57 Å²	57	97.7 Å²	97.7	27%	0.266	51%	0.51	S	S	.	.	S	Bend	trans	-89.9	143.3	-177.7	-68.9	-69.2	-15.9	0	0	110.5	W102 I111 P112 E113 R117	W102-Q115 HydrophobicContact CH2-CB 4.28Å; W102-Q115 HydrophobicContact CH2-CG 3.78Å; W102-Q115 HydrophobicContact CZ3-CB 4.46Å; W102-Q115 HydrophobicContact CZ3-CG 4.38Å; I111-Q115 HydrophobicContact CG2-CB 3.75Å; P112-Q115 HydrophobicContact CB-CG 4.33Å; P112-Q115 WeakPolarHBondContact O-CB 3.12Å; P112-Q115 PolarHBondContact O-N 2.82Å; E113-Q115 VanDerWaalsContact C-N 3.26Å; E113-Q115 PolarHBondContact O-N 3.3Å; Q115-R117 PolarHBondContact O-N 3.22Å; Q115-R117 VanDerWaalsContact O-N 3.08Å
116	P	62.1	Low	62.5	Low	92 Å²	92	100 Å²	100	60%	0.597	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-56.7	119.5	171.5	-16.1	27.8	0	0	0	108.5
117	R	59.1	Low	60.8	Low	168 Å²	168	103.1 Å²	103.1	63%	0.634	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-71.1	127.8	168.9	-68.6	-176.5	-178.6	176.6	1	106.6	Q115 E119	Q115-R117 PolarHBondContact O-N 3.22Å; Q115-R117 VanDerWaalsContact O-N 3.08Å; R117-E119 PolarHBondContact O-N 2.9Å
118	P	56.2	Low	59.2	Low	44 Å²	44	100.5 Å²	100.5	29%	0.286	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-56.6	138.4	172.6	20.7	-28.5	0	0	0	108.6	L96 I111 K120	L96-P118 HydrophobicContact CD1-CB 3.97Å; L96-P118 HydrophobicContact CD1-CG 3.54Å; L96-P118 HydrophobicContact CD2-CG 3.52Å; L96-P118 HydrophobicContact CG-CG 3.77Å; I111-P118 HydrophobicContact CD1-CG 4.4Å; P118-K120 PolarHBondContact O-N 3.23Å; P118-K120 VanDerWaalsContact O-N 3.14Å
119	E	54.3	Low	57.7	Low	181 Å²	181	104.2 Å²	104.2	85%	0.846	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-56.9	123.6	176.1	-77.1	-175.6	166.2	0	0	108.5	R117 T121	R117-E119 PolarHBondContact O-N 2.9Å; E119-T121 PolarHBondContact O-N 3.25Å
120	K	48.8	Very low	56.1	Low	136 Å²	136	101.9 Å²	101.9	59%	0.591	50%	0.502	S	S	*	.			trans	-71.7	86.3	167.2	-70.1	-170.8	-178.1	-174.3	0	106.7	D99 P118 K122	D99-K120 VanDerWaalsContact CG-CE 3.49Å; D99-K120 WeakPolarHBondContact OD1-CE 3.33Å; D99-K120 IonicContact OD1-NZ 3.09Å; D99-K120 PolarHBondContact OD1-NZ 2.8Å; D99-K120 VanDerWaalsContact OD1-NZ 3.09Å; D99-K120 IonicContact OD2-NZ 2.72Å; D99-K120 PolarHBondContact OD2-NZ 3.4Å; P118-K120 PolarHBondContact O-N 3.23Å; P118-K120 VanDerWaalsContact O-N 3.14Å; K120-K122 VanDerWaalsContact C-N 3.31Å; K120-K122 PolarHBondContact O-N 2.97Å
121	T	48.7	Very low	54.3	Low	108 Å²	108	100.3 Å²	100.3	66%	0.663	48%	0.483	S	S	*	.			trans	-60.5	107.5	157.4	-40.4	0	0	0	0	104.6	E119 L123	E119-T121 PolarHBondContact O-N 3.25Å; T121-L123 PolarHBondContact O-N 3.27Å
122	K	44.7	Very low	53.1	Low	188 Å²	188	104.3 Å²	104.3	82%	0.817	50%	0.504	S	S	*	.			trans	-56.6	102.9	164.2	-85.2	-174	177.8	-179.6	0	104.5	K120 T124	K120-K122 VanDerWaalsContact C-N 3.31Å; K120-K122 PolarHBondContact O-N 2.97Å; K122-T124 PolarHBondContact O-N 2.88Å
123	L	46.9	Very low	52.3	Low	83 Å²	83	101.1 Å²	101.1	44%	0.435	48%	0.484	S	S	.	.			trans	-71.3	85.7	169.7	-69.9	166.6	0	0	0	104.7	T121 G182	T121-L123 PolarHBondContact O-N 3.27Å; L123-G182 VanDerWaalsContact CB-O 3.22Å; L123-G182 WeakPolarHBondContact CB-O 3.22Å
124	T	44.8	Very low	52	Low	107 Å²	107	93.4 Å²	93.4	66%	0.656	45%	0.448	S	S	*	.			trans	-57.4	127.6	161.7	32	0	0	0	0	106.1	K122 E126	K122-T124 PolarHBondContact O-N 2.88Å; T124-E126 PolarHBondContact O-N 3.36Å
125	P	45.2	Very low	52.2	Low	66 Å²	66	85.9 Å²	85.9	43%	0.429	42%	0.422	S	S	.	.			trans	-52.9	117.4	176.7	22.1	-33	0	0	0	108.4	E181 M183	P125-E181 CarbonylContact C-O 3.46Å; P125-E181 VanDerWaalsContact CA-O 3.25Å; P125-E181 WeakPolarHBondContact CA-O 3.04Å; P125-M183 HydrophobicContact CB-CE 3.91Å; P125-M183 HydrophobicContact CB-CG 4.45Å; P125-M183 HydrophobicContact CG-CE 3.97Å
126	E	43.8	Very low	52.3	Low	111 Å²	111	85 Å²	85	52%	0.519	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128	-178	-171.2	-178.6	-160.9	0	0	107.9	T124 K128 E181	T124-E126 PolarHBondContact O-N 3.36Å; E126-K128 PolarHBondContact O-N 2.08Å; E126-K128 WeakPolarHBondContact OE2-CE 3.49Å; E126-E181 PolarHBondContact N-O 2.88Å; E126-E181 PolarHBondContact O-N 2.84Å
127	W	42.9	Very low	52.6	Low	74 Å²	74	82.6 Å²	82.6	28%	0.28	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	122.1	171.3	-74.2	109.3	0	0	0	109.4	Y178 Y179 C180 C192 Y200	W127-Y178 HydrophobicContact CB-CD1 4.35Å; W127-Y179 WeakPolarHBondContact CA-O 3.19Å; W127-C180 HydrophobicContact CE3-CB 4.31Å; W127-C180 HydrophobicContact CZ3-CB 4.27Å; W127-C192 VanDerWaalsContact CE2-SG 3.52Å; W127-C192 HydrophobicContact CH2-CB 3.52Å; W127-C192 HydrophobicContact CZ2-CB 3.27Å; W127-C192 VanDerWaalsContact CZ2-SG 3.53Å; W127-C192 HydrophobicContact CZ3-CB 4.38Å; W127-Y200 HydrophobicContact CH2-CD2 4.23Å; W127-Y200 AromaticContact CH2-CE2 3.98Å; W127-Y200 HydrophobicContact CH2-CE2 3.98Å; W127-Y200 AromaticContact CZ2-CE2 3.9Å; W127-Y200 HydrophobicContact CZ2-CE2 3.9Å
128	K	48.2	Very low	52.9	Low	69 Å²	69	77.6 Å²	77.6	30%	0.3	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147	174.6	-61.8	-150.6	-169.7	165.2	0	111.4	E126 G130 Y178 Y179 E181	E126-K128 PolarHBondContact O-N 2.08Å; E126-K128 WeakPolarHBondContact OE2-CE 3.49Å; K128-G130 PolarHBondContact O-N 3.15Å; K128-Y178 WeakPolarHBondContact O-CA 3.32Å; K128-Y179 HydrophobicContact CB-CD1 4.35Å; K128-Y179 HydrophobicContact CB-CE1 3.74Å; K128-Y179 HydrophobicContact CB-CE2 4.37Å; K128-Y179 PolarHBondContact N-O 3.25Å; K128-Y179 WeakPolarHBondContact O-CD1 3.3Å; K128-Y179 PolarHBondContact O-N 2.66Å; K128-E181 HydrophobicContact CD-CB 4.24Å; K128-E181 WeakPolarHBondContact CD-OE2 3.2Å; K128-E181 VanDerWaalsContact CE-CD 3.41Å; K128-E181 WeakPolarHBondContact CE-OE2 3.49Å; K128-E181 HydrophobicContact CG-CB 4.05Å; K128-E181 IonicContact NZ-OE1 3Å; K128-E181 PolarHBondContact NZ-OE1 2.98Å; K128-E181 IonicContact NZ-OE2 2.8Å; K128-E181 PolarHBondContact NZ-OE2 3.32Å
129	E	47	Very low	53.3	Low	89 Å²	89	81.1 Å²	81.1	42%	0.416	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	122.1	173.1	-64.8	-174.2	144.6	0	0	109.7	Y149 I176 Y178	E129-Y149 PolarHBondContact OE1-OH 3.11Å; E129-Y149 PolarHBondContact OE2-OH 3.08Å; E129-I176 HydrophobicContact CG-CG2 4.35Å; E129-Y178 HydrophobicContact CG-CE1 3.93Å
130	G	48.3	Very low	53.7	Low	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.393	C	S	.	.			trans	-105.3	25.1	-168.9	0	0	0	0	0	113.8	K128 L132 C133 P177	K128-G130 PolarHBondContact O-N 3.15Å; G130-L132 PolarHBondContact O-N 2.78Å; G130-L132 VanDerWaalsContact O-N 3.15Å; G130-C133 WeakPolarHBondContact O-CA 3.16Å; G130-C133 VanDerWaalsContact O-CB 3.25Å; G130-C133 WeakPolarHBondContact O-CB 3.35Å; G130-C133 PolarHBondContact O-N 3.01Å; G130-P177 WeakPolarHBondContact CA-O 3.32Å; G130-P177 PolarHBondContact N-O 3.19Å; G130-P177 WeakPolarHBondContact O-CG 3.25Å
131	I	47.2	Very low	54.5	Low	40 Å²	40	71 Å²	71	21%	0.205	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-54.8	-31	170.6	-70.1	175.3	0	0	0	109.9	C133 L134 Y149	I131-C133 PolarHBondContact O-N 2Å; I131-L134 HydrophobicContact CG1-CD1 4.48Å; I131-L134 HydrophobicContact CG2-CD1 4.46Å; I131-L134 WeakPolarHBondContact O-CB 2.89Å; I131-L134 WeakPolarHBondContact O-CG 3.37Å; I131-L134 PolarHBondContact O-N 3.18Å; I131-L134 VanDerWaalsContact O-N 3.08Å; I131-Y149 HydrophobicContact CD1-CD1 3.45Å; I131-Y149 VanDerWaalsContact CD1-CD1 3.45Å; I131-Y149 HydrophobicContact CD1-CD2 3.48Å; I131-Y149 VanDerWaalsContact CD1-CD2 3.48Å; I131-Y149 HydrophobicContact CD1-CE1 3.39Å; I131-Y149 HydrophobicContact CD1-CE2 3.44Å; I131-Y149 VanDerWaalsContact CD1-CE2 3.44Å; I131-Y149 HydrophobicContact CD1-CG 3.48Å; I131-Y149 VanDerWaalsContact CD1-CG 3.48Å
132	L	52.1	Low	55.1	Low	92 Å²	92	68.9 Å²	68.9	48%	0.482	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-63.6	-14.9	173.1	-57.5	178.2	0	0	0	114	C47 G130	C47-L132 VanDerWaalsContact SG-C 3.56Å; G130-L132 PolarHBondContact O-N 2.78Å; G130-L132 VanDerWaalsContact O-N 3.15Å
133	C	59.5	Low	55.7	Low	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-98.9	12.4	176.3	-47.8	0	0	0	0	112.7	C47 W66 E67 K68 G130 I131 Y179	C47-C133 HydrophobicContact CB-CB 3.59Å; C47-C133 WeakPolarHBondContact CB-SG 3.24Å; C47-C133 WeakPolarHBondContact SG-CA 3.08Å; C47-C133 WeakPolarHBondContact SG-CB 3.31Å; C47-C133 PolarHBondContact SG-N 3.29Å; C47-C133 CovalentContact SG-SG 2Å; C47-C133 PolarHBondContact SG-SG 2.73Å; W66-C133 HydrophobicContact CH2-CB 4.39Å; W66-C133 HydrophobicContact CZ3-CB 4.23Å; E67-C133 CarbonylContact C-O 3.34Å; E67-C133 WeakPolarHBondContact CA-O 3.34Å; K68-C133 PolarHBondContact N-O 2.99Å; G130-C133 WeakPolarHBondContact O-CA 3.16Å; G130-C133 VanDerWaalsContact O-CB 3.25Å; G130-C133 WeakPolarHBondContact O-CB 3.35Å; G130-C133 PolarHBondContact O-N 3.01Å; I131-C133 PolarHBondContact O-N 2Å; C133-Y179 VanDerWaalsContact SG-CD1 3.6Å
134	L	62.2	Low	56.2	Low	14 Å²	14	59.7 Å²	59.7	7%	0.073	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.3	175.5	-57.7	179.9	0	0	0	109.4	K68 L70 I131 F136 L175 P177	K68-L134 HydrophobicContact CB-CD2 3.92Å; K68-L134 WeakPolarHBondContact O-CA 3.15Å; L70-L134 HydrophobicContact CD1-CB 4.17Å; L70-L134 HydrophobicContact CD1-CD1 4.38Å; L70-L134 HydrophobicContact CD1-CD2 3.58Å; L70-L134 HydrophobicContact CD1-CG 4.23Å; I131-L134 HydrophobicContact CG1-CD1 4.48Å; I131-L134 HydrophobicContact CG2-CD1 4.46Å; I131-L134 WeakPolarHBondContact O-CB 2.89Å; I131-L134 WeakPolarHBondContact O-CG 3.37Å; I131-L134 PolarHBondContact O-N 3.18Å; I131-L134 VanDerWaalsContact O-N 3.08Å; L134-F136 HydrophobicContact CB-CE1 4.2Å; L134-F136 HydrophobicContact CB-CE2 3.96Å; L134-F136 HydrophobicContact CB-CZ 3.69Å; L134-F136 HydrophobicContact CD1-CE1 4.25Å; L134-F136 HydrophobicContact CD1-CZ 3.89Å; L134-F136 HydrophobicContact CG-CZ 4.48Å; L134-L175 HydrophobicContact CD1-CD2 3.28Å; L134-L175 HydrophobicContact CD2-CD2 4.05Å; L134-L175 HydrophobicContact CG-CD2 4.27Å; L134-P177 HydrophobicContact CD1-CG 3.96Å; L134-P177 HydrophobicContact CD2-CB 4.16Å; L134-P177 HydrophobicContact CD2-CG 3.71Å; L134-P177 HydrophobicContact CG-CG 3.84Å
135	K	68.5	Low	57	Low	84 Å²	84	55.3 Å²	55.3	37%	0.365	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.1	163.6	-170.5	-175.2	176.1	-144.2	0	107.8	E67 K68 E69 L70 I83	E67-K135 HydrophobicContact CB-CB 4.33Å; K68-K135 PolarHBondContact O-N 2.9Å; E69-K135 CarbonylContact C-O 3.34Å; E69-K135 VanDerWaalsContact CA-O 3.23Å; E69-K135 WeakPolarHBondContact CA-O 3.37Å; E69-K135 HydrophobicContact CB-CB 4.13Å; E69-K135 HydrophobicContact CB-CD 4.46Å; E69-K135 HydrophobicContact CG-CB 4.37Å; E69-K135 HydrophobicContact CG-CD 4.33Å; E69-K135 HydrophobicContact CG-CG 4.43Å; E69-K135 WeakPolarHBondContact OE1-CD 3.48Å; E69-K135 WeakPolarHBondContact OE1-CE 3.34Å; E69-K135 IonicContact OE1-NZ 2.76Å; E69-K135 PolarHBondContact OE1-NZ 2.87Å; L70-K135 PolarHBondContact N-O 2.87Å; I83-K135 HydrophobicContact CD1-CD 3.64Å
136	F	68.3	Low	57.3	Low	39 Å²	39	54.7 Å²	54.7	17%	0.171	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.2	179.8	-57.6	-80.8	0	0	0	109	L70 L134 T138 I141 K142 I145	L70-F136 HydrophobicContact CB-CD1 4.24Å; L70-F136 HydrophobicContact CD2-CE1 4.42Å; L134-F136 HydrophobicContact CB-CE1 4.2Å; L134-F136 HydrophobicContact CB-CE2 3.96Å; L134-F136 HydrophobicContact CB-CZ 3.69Å; L134-F136 HydrophobicContact CD1-CE1 4.25Å; L134-F136 HydrophobicContact CD1-CZ 3.89Å; L134-F136 HydrophobicContact CG-CZ 4.48Å; F136-T138 PolarHBondContact O-N 2.76Å; F136-I141 HydrophobicContact CD1-CG2 4Å; F136-K142 HydrophobicContact CB-CB 3.69Å; F136-K142 HydrophobicContact CD1-CB 4.03Å; F136-K142 HydrophobicContact CD2-CB 3.65Å; F136-K142 HydrophobicContact CD2-CD 3.95Å; F136-K142 HydrophobicContact CD2-CG 3.61Å; F136-K142 HydrophobicContact CE2-CB 4.26Å; F136-K142 HydrophobicContact CE2-CD 4.48Å; F136-K142 HydrophobicContact CE2-CG 3.89Å; F136-K142 HydrophobicContact CG-CB 3.5Å; F136-K142 HydrophobicContact CG-CG 4.03Å; F136-I145 HydrophobicContact CE1-CB 3.87Å; F136-I145 HydrophobicContact CE1-CG1 4.2Å; F136-I145 HydrophobicContact CE1-CG2 3.92Å; F136-I145 HydrophobicContact CZ-CG2 4.32Å
137	G	67.7	Low	57.6	Low	41 Å²	41	49.5 Å²	49.5	42%	0.423	25%	0.248	S	C	.	.	S	Bend	trans	-65.4	-24.4	178.3	0	0	0	0	0	112.6	L70	L70-G137 PolarHBondContact O-N 2.89Å
138	T	66.2	Low	57.9	Low	63 Å²	63	47.8 Å²	47.8	39%	0.387	24%	0.242	S	C	.	.	S	Bend	trans	-143.6	152.5	174	71.1	0	0	0	0	111.1	F136 Q140 I141 K142	F136-T138 PolarHBondContact O-N 2.76Å; T138-Q140 PolarHBondContact O-N 3.4Å; T138-I141 HydrophobicContact CG2-CD1 4.46Å; T138-I141 PolarHBondContact O-N 3.04Å; T138-I141 VanDerWaalsContact OG1-CG1 3.3Å; T138-I141 WeakPolarHBondContact OG1-CG1 3.42Å; T138-I141 PolarHBondContact OG1-N 2.95Å; T138-K142 PolarHBondContact O-N 3.14Å; T138-K142 VanDerWaalsContact O-N 3.15Å
139	E	64.9	Low	57.7	Low	118 Å²	118	48.3 Å²	48.3	55%	0.551	24%	0.242	S	C	*	.	H	α-helix	trans	-59.3	-30.7	171.8	-73.6	-64.3	127.7	0	0	111.7	K142 D143	E139-K142 WeakPolarHBondContact O-CB 3.48Å; E139-K142 PolarHBondContact O-N 2.95Å; E139-K142 IonicContact OE1-NZ 3.18Å; E139-K142 PolarHBondContact OE1-NZ 3.45Å; E139-K142 IonicContact OE2-NZ 2.73Å; E139-K142 PolarHBondContact OE2-NZ 2.87Å; E139-D143 PolarHBondContact O-N 3.45Å
140	Q	62.7	Low	57.6	Low	104 Å²	104	51 Å²	51	49%	0.486	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-44.9	175.8	-174.8	-178.6	13.4	0	0	112.7	T138 K142 E144 Y156	T138-Q140 PolarHBondContact O-N 3.4Å; Q140-K142 VanDerWaalsContact C-N 3.3Å; Q140-E144 VanDerWaalsContact O-CB 3.23Å; Q140-E144 WeakPolarHBondContact O-CB 3.45Å; Q140-E144 PolarHBondContact O-N 2.89Å; Q140-Y156 VanDerWaalsContact NE2-CD2 3.29Å; Q140-Y156 VanDerWaalsContact NE2-CE2 3.33Å
141	I	64.8	Low	57.3	Low	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.3	-41.2	176.2	-62.7	163.5	0	0	0	109.5	L70 L72 L78 F136 T138 E144 I145	L70-I141 HydrophobicContact CB-CG2 4Å; L72-I141 HydrophobicContact CB-CD1 4.47Å; L72-I141 HydrophobicContact CD1-CD1 4.32Å; L72-I141 HydrophobicContact CD1-CG1 4.14Å; L72-I141 HydrophobicContact CG-CD1 3.72Å; L72-I141 HydrophobicContact CG-CG1 3.95Å; L78-I141 HydrophobicContact CD1-CG2 4.03Å; F136-I141 HydrophobicContact CD1-CG2 4Å; T138-I141 HydrophobicContact CG2-CD1 4.46Å; T138-I141 PolarHBondContact O-N 3.04Å; T138-I141 VanDerWaalsContact OG1-CG1 3.3Å; T138-I141 WeakPolarHBondContact OG1-CG1 3.42Å; T138-I141 PolarHBondContact OG1-N 2.95Å; I141-E144 PolarHBondContact O-N 3.39Å; I141-I145 HydrophobicContact CG2-CG1 4.02Å; I141-I145 WeakPolarHBondContact O-CB 3.2Å; I141-I145 WeakPolarHBondContact O-CG1 3.26Å; I141-I145 PolarHBondContact O-N 3.33Å
142	K	60.8	Low	57	Low	64 Å²	64	57 Å²	57	28%	0.278	29%	0.294	S	S	.	.	H	α-helix	trans	-57.1	-55.5	176.9	177.3	176.3	155.2	-148.7	0	111.3	F136 T138 E139 Q140 E144 I145 I146	F136-K142 HydrophobicContact CB-CB 3.69Å; F136-K142 HydrophobicContact CD1-CB 4.03Å; F136-K142 HydrophobicContact CD2-CB 3.65Å; F136-K142 HydrophobicContact CD2-CD 3.95Å; F136-K142 HydrophobicContact CD2-CG 3.61Å; F136-K142 HydrophobicContact CE2-CB 4.26Å; F136-K142 HydrophobicContact CE2-CD 4.48Å; F136-K142 HydrophobicContact CE2-CG 3.89Å; F136-K142 HydrophobicContact CG-CB 3.5Å; F136-K142 HydrophobicContact CG-CG 4.03Å; T138-K142 PolarHBondContact O-N 3.14Å; T138-K142 VanDerWaalsContact O-N 3.15Å; E139-K142 WeakPolarHBondContact O-CB 3.48Å; E139-K142 PolarHBondContact O-N 2.95Å; E139-K142 IonicContact OE1-NZ 3.18Å; E139-K142 PolarHBondContact OE1-NZ 3.45Å; E139-K142 IonicContact OE2-NZ 2.73Å; E139-K142 PolarHBondContact OE2-NZ 2.87Å; Q140-K142 VanDerWaalsContact C-N 3.3Å; K142-E144 VanDerWaalsContact C-N 3.27Å; K142-E144 PolarHBondContact O-N 3.29Å; K142-I145 PolarHBondContact O-N 3.17Å; K142-I146 HydrophobicContact CD-CD1 4.34Å; K142-I146 HydrophobicContact CG-CD1 3.5Å; K142-I146 VanDerWaalsContact CG-CD1 3.5Å; K142-I146 HydrophobicContact CG-CG1 4.25Å; K142-I146 WeakPolarHBondContact O-CB 3.45Å; K142-I146 VanDerWaalsContact O-CG1 3.22Å; K142-I146 WeakPolarHBondContact O-CG1 3.48Å; K142-I146 PolarHBondContact O-N 3.47Å
143	D	58.8	Low	56.5	Low	73 Å²	73	58.4 Å²	58.4	39%	0.39	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-36.1	-178.9	-67.9	-19.7	0	0	0	111.7	E139 G147 I155	E139-D143 PolarHBondContact O-N 3.45Å; D143-G147 VanDerWaalsContact O-CA 3.26Å; D143-G147 WeakPolarHBondContact O-CA 3.1Å; D143-G147 PolarHBondContact O-N 3.42Å; D143-I155 HydrophobicContact CB-CD1 3.76Å
144	E	57.3	Low	55.6	Low	5 Å²	5	60.8 Å²	60.8	2%	0.023	32%	0.319	C	S	.	.	H	α-helix	trans	-66.6	-46.5	176.7	-171.9	65.6	-159.9	0	0	111.6	Q140 I141 K142 R148 S154 I155 Y156 M167	Q140-E144 VanDerWaalsContact O-CB 3.23Å; Q140-E144 WeakPolarHBondContact O-CB 3.45Å; Q140-E144 PolarHBondContact O-N 2.89Å; I141-E144 PolarHBondContact O-N 3.39Å; K142-E144 VanDerWaalsContact C-N 3.27Å; K142-E144 PolarHBondContact O-N 3.29Å; E144-R148 VanDerWaalsContact O-CB 3.22Å; E144-R148 WeakPolarHBondContact O-CB 3.13Å; E144-R148 WeakPolarHBondContact O-CD 3.47Å; E144-R148 WeakPolarHBondContact O-CG 3.12Å; E144-R148 PolarHBondContact O-N 2.89Å; E144-R148 IonicContact OE1-CZ 3.3Å; E144-R148 IonicContact OE1-NE 3.08Å; E144-R148 PolarHBondContact OE1-NE 2.91Å; E144-R148 IonicContact OE1-NH2 2.69Å; E144-R148 PolarHBondContact OE1-NH2 3.4Å; E144-S154 VanDerWaalsContact OE1-CA 3.31Å; E144-S154 WeakPolarHBondContact OE1-CA 3.23Å; E144-S154 WeakPolarHBondContact OE1-CB 3.36Å; E144-S154 WeakPolarHBondContact OE2-CA 3.22Å; E144-I155 PolarHBondContact OE2-N 3.15Å; E144-Y156 PolarHBondContact OE2-N 3.06Å; E144-M167 HydrophobicContact CG-CE 4.47Å; E144-M167 HydrophobicContact CG-SD 4.32Å
145	I	60.5	Low	54.5	Low	15 Å²	15	65.3 Å²	65.3	8%	0.077	34%	0.342	C	S	.	.	H	α-helix	trans	-70.7	-44.7	179.9	-65.1	-68.1	0	0	0	111	L70 F136 I141 K142 R148 Y149 F173 L175	L70-I145 HydrophobicContact CD2-CD1 4.1Å; L70-I145 HydrophobicContact CD2-CG1 4.02Å; F136-I145 HydrophobicContact CE1-CB 3.87Å; F136-I145 HydrophobicContact CE1-CG1 4.2Å; F136-I145 HydrophobicContact CE1-CG2 3.92Å; F136-I145 HydrophobicContact CZ-CG2 4.32Å; I141-I145 HydrophobicContact CG2-CG1 4.02Å; I141-I145 WeakPolarHBondContact O-CB 3.2Å; I141-I145 WeakPolarHBondContact O-CG1 3.26Å; I141-I145 PolarHBondContact O-N 3.33Å; K142-I145 PolarHBondContact O-N 3.17Å; I145-R148 PolarHBondContact O-N 3.48Å; I145-Y149 WeakPolarHBondContact O-CB 3.18Å; I145-Y149 PolarHBondContact O-N 3.29Å; I145-F173 HydrophobicContact CD1-CD1 3.66Å; I145-F173 HydrophobicContact CD1-CE1 3.73Å; I145-L175 HydrophobicContact CG2-CD2 4.01Å
146	I	52.8	Low	53.1	Low	53 Å²	53	64.2 Å²	64.2	27%	0.272	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-51.8	176.5	-71.9	-178.8	0	0	0	110	K142 R148 Y149 F150	K142-I146 HydrophobicContact CD-CD1 4.34Å; K142-I146 HydrophobicContact CG-CD1 3.5Å; K142-I146 VanDerWaalsContact CG-CD1 3.5Å; K142-I146 HydrophobicContact CG-CG1 4.25Å; K142-I146 WeakPolarHBondContact O-CB 3.45Å; K142-I146 VanDerWaalsContact O-CG1 3.22Å; K142-I146 WeakPolarHBondContact O-CG1 3.48Å; K142-I146 PolarHBondContact O-N 3.47Å; I146-R148 VanDerWaalsContact C-N 3.26Å; I146-R148 PolarHBondContact O-N 3.45Å; I146-Y149 WeakPolarHBondContact O-CB 3.32Å; I146-Y149 PolarHBondContact O-N 3.02Å; I146-Y149 VanDerWaalsContact O-N 3.11Å; I146-F150 HydrophobicContact CG2-CD2 3.61Å; I146-F150 HydrophobicContact CG2-CE2 3.74Å; I146-F150 WeakPolarHBondContact O-CD2 3.22Å; I146-F150 PolarHBondContact O-N 3.17Å
147	G	48.6	Very low	51.8	Low	3 Å²	3	70.9 Å²	70.9	3%	0.031	37%	0.368	C	S	.	.	H	α-helix	trans	-53.9	-46.7	177.8	0	0	0	0	0	110.6	D143 F150 G151 Q152	D143-G147 VanDerWaalsContact O-CA 3.26Å; D143-G147 WeakPolarHBondContact O-CA 3.1Å; D143-G147 PolarHBondContact O-N 3.42Å; G147-F150 CarbonylContact O-C 3.59Å; G147-F150 PolarHBondContact O-N 3.05Å; G147-G151 PolarHBondContact O-N 3.37Å; G147-Q152 WeakPolarHBondContact O-CA 3.02Å; G147-Q152 VanDerWaalsContact O-CB 3.3Å; G147-Q152 WeakPolarHBondContact O-CB 3.36Å; G147-Q152 PolarHBondContact O-N 2.8Å
148	R	49.8	Very low	50.3	Low	38 Å²	38	71 Å²	71	14%	0.143	37%	0.369	C	S	.	.	H	α-helix	trans	-64.3	-42.4	175.6	-76.1	168	-179.9	-121.8	-5.5	114.2	E144 I145 I146 F150 G151 M167	E144-R148 VanDerWaalsContact O-CB 3.22Å; E144-R148 WeakPolarHBondContact O-CB 3.13Å; E144-R148 WeakPolarHBondContact O-CD 3.47Å; E144-R148 WeakPolarHBondContact O-CG 3.12Å; E144-R148 PolarHBondContact O-N 2.89Å; E144-R148 IonicContact OE1-CZ 3.3Å; E144-R148 IonicContact OE1-NE 3.08Å; E144-R148 PolarHBondContact OE1-NE 2.91Å; E144-R148 IonicContact OE1-NH2 2.69Å; E144-R148 PolarHBondContact OE1-NH2 3.4Å; I145-R148 PolarHBondContact O-N 3.48Å; I146-R148 VanDerWaalsContact C-N 3.26Å; I146-R148 PolarHBondContact O-N 3.45Å; R148-F150 PolarHBondContact O-N 2.73Å; R148-G151 PolarHBondContact O-N 2.79Å; R148-M167 PolarHBondContact NH1-O 3.42Å; R148-M167 PolarHBondContact NH2-O 3.4Å
149	Y	44.7	Very low	48.7	Very low	80 Å²	80	70.7 Å²	70.7	31%	0.314	37%	0.369	S	S	.	.	H	α-helix	trans	-58.8	-40.5	176.3	178.3	-99.2	0	0	0	110.8	E129 I131 I145 I146 G151 I176	E129-Y149 PolarHBondContact OE1-OH 3.11Å; E129-Y149 PolarHBondContact OE2-OH 3.08Å; I131-Y149 HydrophobicContact CD1-CD1 3.45Å; I131-Y149 VanDerWaalsContact CD1-CD1 3.45Å; I131-Y149 HydrophobicContact CD1-CD2 3.48Å; I131-Y149 VanDerWaalsContact CD1-CD2 3.48Å; I131-Y149 HydrophobicContact CD1-CE1 3.39Å; I131-Y149 HydrophobicContact CD1-CE2 3.44Å; I131-Y149 VanDerWaalsContact CD1-CE2 3.44Å; I131-Y149 HydrophobicContact CD1-CG 3.48Å; I131-Y149 VanDerWaalsContact CD1-CG 3.48Å; I145-Y149 WeakPolarHBondContact O-CB 3.18Å; I145-Y149 PolarHBondContact O-N 3.29Å; I146-Y149 WeakPolarHBondContact O-CB 3.32Å; I146-Y149 PolarHBondContact O-N 3.02Å; I146-Y149 VanDerWaalsContact O-N 3.11Å; Y149-G151 VanDerWaalsContact C-N 3.27Å; Y149-G151 PolarHBondContact O-N 3.32Å; Y149-I176 HydrophobicContact CE2-CG1 4.31Å
150	F	43.6	Very low	47.2	Very low	145 Å²	145	77.2 Å²	77.2	64%	0.636	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	7.8	174.3	-67.3	-65.6	0	0	0	114.2	I146 G147 R148 Q152	I146-F150 HydrophobicContact CG2-CD2 3.61Å; I146-F150 HydrophobicContact CG2-CE2 3.74Å; I146-F150 WeakPolarHBondContact O-CD2 3.22Å; I146-F150 PolarHBondContact O-N 3.17Å; G147-F150 CarbonylContact O-C 3.59Å; G147-F150 PolarHBondContact O-N 3.05Å; R148-F150 PolarHBondContact O-N 2.73Å; F150-Q152 VanDerWaalsContact C-N 3.34Å; F150-Q152 PolarHBondContact O-N 3.29Å
151	G	41.6	Very low	45.7	Very low	53 Å²	53	77.3 Å²	77.3	55%	0.546	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	14.2	174.9	0	0	0	0	0	115.8	G147 R148 Y149	G147-G151 PolarHBondContact O-N 3.37Å; R148-G151 PolarHBondContact O-N 2.79Å; Y149-G151 VanDerWaalsContact C-N 3.27Å; Y149-G151 PolarHBondContact O-N 3.32Å
152	Q	40.8	Very low	44.1	Very low	114 Å²	114	79.9 Å²	79.9	53%	0.533	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-69.8	156.1	172.7	-57	-177.3	-18.1	0	0	111.5	G147 F150 R170	G147-Q152 WeakPolarHBondContact O-CA 3.02Å; G147-Q152 VanDerWaalsContact O-CB 3.3Å; G147-Q152 WeakPolarHBondContact O-CB 3.36Å; G147-Q152 PolarHBondContact O-N 2.8Å; F150-Q152 VanDerWaalsContact C-N 3.34Å; F150-Q152 PolarHBondContact O-N 3.29Å; Q152-R170 PolarHBondContact O-NH2 2.84Å
153	D	42.5	Very low	42.7	Very low	120 Å²	120	81.6 Å²	81.6	64%	0.642	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-67.2	143.2	171.1	-71.2	-35.3	0	0	0	110.8	I155 R170	D153-I155 PolarHBondContact O-N 2.79Å; D153-R170 VanDerWaalsContact CA-NH2 3.29Å; D153-R170 IonicContact OD1-CZ 2.67Å; D153-R170 VanDerWaalsContact OD1-CZ 3.3Å; D153-R170 IonicContact OD1-NH1 2.94Å; D153-R170 PolarHBondContact OD1-NH1 3.15Å; D153-R170 VanDerWaalsContact OD1-NH1 3.08Å; D153-R170 IonicContact OD1-NH2 3.89Å; D153-R170 PolarHBondContact OD1-NH2 2.82Å
154	S	40.8	Very low	41.4	Very low	50 Å²	50	84.3 Å²	84.3	35%	0.35	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-55.8	135.6	178	56.5	0	0	0	0	109.8	E144 Y156	E144-S154 VanDerWaalsContact OE1-CA 3.31Å; E144-S154 WeakPolarHBondContact OE1-CA 3.23Å; E144-S154 WeakPolarHBondContact OE1-CB 3.36Å; E144-S154 WeakPolarHBondContact OE2-CA 3.22Å; S154-Y156 PolarHBondContact O-N 3.26Å
155	I	39.4	Very low	40.4	Very low	109 Å²	109	85.6 Å²	85.6	56%	0.559	46%	0.458	S	S	*	.			trans	-81.9	-8.4	177.7	-52.7	168.6	0	0	0	110.1	D143 E144 D153 E157	D143-I155 HydrophobicContact CB-CD1 3.76Å; E144-I155 PolarHBondContact OE2-N 3.15Å; D153-I155 PolarHBondContact O-N 2.79Å; I155-E157 PolarHBondContact O-N 2.79Å
156	Y	39.1	Very low	39.2	Very low	61 Å²	61	85.4 Å²	85.4	24%	0.239	46%	0.458	C	S	.	.			trans	-73.4	95.6	-177.7	-154.9	-91.9	0	0	0	114.5	Q140 E144 S154 E165 M167 R168	Q140-Y156 VanDerWaalsContact NE2-CD2 3.29Å; Q140-Y156 VanDerWaalsContact NE2-CE2 3.33Å; E144-Y156 PolarHBondContact OE2-N 3.06Å; S154-Y156 PolarHBondContact O-N 3.26Å; Y156-E165 WeakPolarHBondContact CE1-OE1 3.3Å; Y156-M167 HydrophobicContact CD2-CE 4.27Å; Y156-R168 PolarHBondContact O-NH2 2.81Å
157	E	39.7	Very low	38.5	Very low	180 Å²	180	83.4 Å²	83.4	84%	0.841	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-72.3	132.1	159.7	-72.2	-172	163.4	0	0	110.1	I155	I155-E157 PolarHBondContact O-N 2.79Å
158	G	37	Very low	38	Very low	44 Å²	44	88.2 Å²	88.2	45%	0.454	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-67.2	145	-152.6	0	0	0	0	0	117.3
159	S	33	Very low	37.4	Very low	55 Å²	55	88 Å²	88	39%	0.385	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-70.2	145.9	151.6	171.6	0	0	0	0	108.8	V161 E165	S159-V161 PolarHBondContact O-N 2.88Å; S159-V161 PolarHBondContact OG-N 2.67Å; S159-E165 PolarHBondContact N-OE1 3.49Å
160	R	34.1	Very low	37	Very low	256 Å²	256	88.3 Å²	88.3	97%	0.966	47%	0.467	S	S	*	.	S	Bend	trans	-81.1	2.7	177.7	-70.7	-173.8	179.3	-171.7	0.6	113.4
161	V	29.8	Very low	36.6	Very low	105 Å²	105	82.8 Å²	82.8	64%	0.636	45%	0.448	S	S	*	.	S	Bend	trans	-92	134.8	-178.3	-168.5	0	0	0	0	108.9	S159	S159-V161 PolarHBondContact O-N 2.88Å; S159-V161 PolarHBondContact OG-N 2.67Å
162	G	32.5	Very low	36.4	Very low	55 Å²	55	81.4 Å²	81.4	57%	0.567	43%	0.429	S	S	*	.			trans	-49.8	153.4	-174	0	0	0	0	0	113.5	H164	G162-H164 PolarHBondContact O-CD2 3.28Å; G162-H164 PolarHBondContact O-N 3.32Å
163	C	31.5	Very low	36.2	Very low	99 Å²	99	77.1 Å²	77.1	67%	0.669	41%	0.408	S	S	*	.	S	Bend	trans	-46.1	45	-165.2	-67.2	0	0	0	0	119.7	E165	C163-E165 PolarHBondContact O-N 2.78Å
164	H	30.6	Very low	36.1	Very low	130 Å²	130	74.4 Å²	74.4	60%	0.602	39%	0.394	S	S	*	.			trans	-77	28.7	156.8	-66.4	-76.4	0	0	0	110.6	M77 G162 P166	M77-H164 HydrophobicContact SD-CB 4.15Å; G162-H164 PolarHBondContact O-CD2 3.28Å; G162-H164 PolarHBondContact O-N 3.32Å; H164-P166 WeakPolarHBondContact O-CD 3.39Å
165	E	36.8	Very low	36.2	Very low	32 Å²	32	73 Å²	73	15%	0.15	38%	0.382	C	S	.	.			trans	-99.4	75.4	-180	-66.7	-177.2	154.1	0	0	108.2	Y156 S159 C163 M167 R168	Y156-E165 WeakPolarHBondContact CE1-OE1 3.3Å; S159-E165 PolarHBondContact N-OE1 3.49Å; C163-E165 PolarHBondContact O-N 2.78Å; E165-M167 PolarHBondContact O-N 3.06Å; E165-M167 VanDerWaalsContact O-N 3.12Å; E165-R168 HydrophobicContact CB-CB 4.23Å; E165-R168 HydrophobicContact CB-CG 4.18Å; E165-R168 PolarHBondContact O-N 3.45Å; E165-R168 IonicContact OE1-NH1 2.7Å; E165-R168 WeakPolarHBondContact OE2-CD 3.24Å; E165-R168 WeakPolarHBondContact OE2-CG 3.18Å; E165-R168 IonicContact OE2-CZ 3.1Å; E165-R168 VanDerWaalsContact OE2-CZ 3.32Å; E165-R168 IonicContact OE2-NE 3.32Å; E165-R168 PolarHBondContact OE2-NE 3.23Å; E165-R168 IonicContact OE2-NH1 2.67Å; E165-R168 PolarHBondContact OE2-NH1 3.11Å
166	P	35.5	Very low	36.4	Very low	12 Å²	12	69.4 Å²	69.4	8%	0.078	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-55.5	-33.8	175.8	24.5	-33.5	0	0	0	109.4	M77 H164 R168 N169 F173 I204	M77-P166 HydrophobicContact CB-CG 4.48Å; M77-P166 HydrophobicContact CE-CB 4.28Å; M77-P166 HydrophobicContact CE-CG 3.73Å; M77-P166 WeakPolarHBondContact SD-CD 3.35Å; M77-P166 HydrophobicContact SD-CG 3.73Å; H164-P166 WeakPolarHBondContact O-CD 3.39Å; P166-R168 VanDerWaalsContact C-N 3.3Å; P166-R168 PolarHBondContact O-N 3.41Å; P166-N169 WeakPolarHBondContact O-CB 3.49Å; P166-N169 PolarHBondContact O-N 2.91Å; P166-F173 VanDerWaalsContact C-CE2 3.5Å; P166-F173 HydrophobicContact CB-CE2 4.3Å; P166-F173 WeakPolarHBondContact O-CE2 3.18Å; P166-I204 HydrophobicContact CB-CD1 4.2Å; P166-I204 HydrophobicContact CB-CG2 3.89Å
167	M	37.4	Very low	36.7	Very low	10 Å²	10	66.8 Å²	66.8	5%	0.049	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-54.9	-40.1	174.5	-67.3	-133.3	-64.8	0	0	112	L72 L78 E144 R148 Y156 E165 N169 F173	L72-M167 HydrophobicContact CD1-CE 3.95Å; L72-M167 HydrophobicContact CD2-CE 4.13Å; L72-M167 HydrophobicContact CD2-CG 4.13Å; L72-M167 HydrophobicContact CD2-SD 3.97Å; L78-M167 HydrophobicContact CD1-SD 4.39Å; E144-M167 HydrophobicContact CG-CE 4.47Å; E144-M167 HydrophobicContact CG-SD 4.32Å; R148-M167 PolarHBondContact NH1-O 3.42Å; R148-M167 PolarHBondContact NH2-O 3.4Å; Y156-M167 HydrophobicContact CD2-CE 4.27Å; E165-M167 PolarHBondContact O-N 3.06Å; E165-M167 VanDerWaalsContact O-N 3.12Å; M167-N169 PolarHBondContact O-N 2.82Å; M167-F173 HydrophobicContact CG-CZ 4.45Å
168	R	37.5	Very low	36.9	Very low	105 Å²	105	58.5 Å²	58.5	40%	0.396	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-68.3	-10.4	179.8	-76.9	-154.9	173.4	146.1	-16.4	115.5	Y156 E165 P166 R170	Y156-R168 PolarHBondContact O-NH2 2.81Å; E165-R168 HydrophobicContact CB-CB 4.23Å; E165-R168 HydrophobicContact CB-CG 4.18Å; E165-R168 PolarHBondContact O-N 3.45Å; E165-R168 IonicContact OE1-NH1 2.7Å; E165-R168 WeakPolarHBondContact OE2-CD 3.24Å; E165-R168 WeakPolarHBondContact OE2-CG 3.18Å; E165-R168 IonicContact OE2-CZ 3.1Å; E165-R168 VanDerWaalsContact OE2-CZ 3.32Å; E165-R168 IonicContact OE2-NE 3.32Å; E165-R168 PolarHBondContact OE2-NE 3.23Å; E165-R168 IonicContact OE2-NH1 2.67Å; E165-R168 PolarHBondContact OE2-NH1 3.11Å; P166-R168 VanDerWaalsContact C-N 3.3Å; P166-R168 PolarHBondContact O-N 3.41Å; R168-R170 PolarHBondContact O-N 3.3Å
169	N	37.2	Very low	37.3	Very low	33 Å²	33	57.8 Å²	57.8	18%	0.176	30%	0.299	C	S	.	.			trans	-84.8	82.3	-174.7	-151.6	-15.5	0	0	0	112	P166 M167 A171 V172 V213	P166-N169 WeakPolarHBondContact O-CB 3.49Å; P166-N169 PolarHBondContact O-N 2.91Å; M167-N169 PolarHBondContact O-N 2.82Å; N169-A171 PolarHBondContact O-N 2.97Å; N169-V172 HydrophobicContact CB-CB 4.45Å; N169-V172 HydrophobicContact CB-CG2 4.26Å; N169-V172 WeakPolarHBondContact ND2-CG2 3.49Å; N169-V172 PolarHBondContact O-N 3Å; N169-V172 VanDerWaalsContact O-N 3.16Å; N169-V213 WeakPolarHBondContact OD1-CG1 3.33Å
170	R	36.2	Very low	37.8	Very low	86 Å²	86	55.7 Å²	55.7	33%	0.325	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-31.4	-179.3	-87.1	-179.4	150.1	170.7	-7.3	114.1	Q152 D153 R168	Q152-R170 PolarHBondContact O-NH2 2.84Å; D153-R170 VanDerWaalsContact CA-NH2 3.29Å; D153-R170 IonicContact OD1-CZ 2.67Å; D153-R170 VanDerWaalsContact OD1-CZ 3.3Å; D153-R170 IonicContact OD1-NH1 2.94Å; D153-R170 PolarHBondContact OD1-NH1 3.15Å; D153-R170 VanDerWaalsContact OD1-NH1 3.08Å; D153-R170 IonicContact OD1-NH2 3.89Å; D153-R170 PolarHBondContact OD1-NH2 2.82Å; R168-R170 PolarHBondContact O-N 3.3Å
171	A	36.1	Very low	38.5	Very low	30 Å²	30	44.9 Å²	44.9	25%	0.248	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-20.9	-174.7	0	0	0	0	0	114.1	N169 V213	N169-A171 PolarHBondContact O-N 2.97Å; A171-V213 HydrophobicContact CB-CG1 3.63Å
172	V	37.7	Very low	39.3	Very low	23 Å²	23	40.8 Å²	40.8	14%	0.139	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-11.6	-176.8	-167.9	0	0	0	0	111.3	N169 N174 I203	N169-V172 HydrophobicContact CB-CB 4.45Å; N169-V172 HydrophobicContact CB-CG2 4.26Å; N169-V172 WeakPolarHBondContact ND2-CG2 3.49Å; N169-V172 PolarHBondContact O-N 3Å; N169-V172 VanDerWaalsContact O-N 3.16Å; V172-N174 PolarHBondContact O-N 2.99Å; V172-I203 WeakPolarHBondContact CG1-O 3.13Å
173	F	36	Very low	39.8	Very low	24 Å²	24	41.6 Å²	41.6	11%	0.105	21%	0.214	C	C	.	.			trans	-91.5	71.2	177.1	-89.7	-101.5	0	0	0	111.8	L78 I145 P166 M167 L175 L202	L78-F173 HydrophobicContact CB-CZ 4.12Å; L78-F173 HydrophobicContact CD2-CE1 3.54Å; L78-F173 HydrophobicContact CD2-CZ 3.73Å; L78-F173 HydrophobicContact CG-CE1 4.43Å; L78-F173 HydrophobicContact CG-CZ 4.38Å; I145-F173 HydrophobicContact CD1-CD1 3.66Å; I145-F173 HydrophobicContact CD1-CE1 3.73Å; P166-F173 VanDerWaalsContact C-CE2 3.5Å; P166-F173 HydrophobicContact CB-CE2 4.3Å; P166-F173 WeakPolarHBondContact O-CE2 3.18Å; M167-F173 HydrophobicContact CG-CZ 4.45Å; F173-L175 VanDerWaalsContact C-N 3.31Å; F173-L175 PolarHBondContact O-N 2.91Å; F173-L202 HydrophobicContact CD1-CD1 4.48Å
174	N	40.4	Very low	40.5	Very low	63 Å²	63	41.9 Å²	41.9	34%	0.337	21%	0.205	S	C	.	.			trans	-92.1	68.2	164.2	-68.5	-40.6	0	0	0	109.3	V172 I176 L244 I247	V172-N174 PolarHBondContact O-N 2.99Å; N174-I176 VanDerWaalsContact C-N 3.34Å; N174-I176 PolarHBondContact O-N 2.72Å; N174-L244 HydrophobicContact CB-CD2 3.81Å; N174-I247 WeakPolarHBondContact ND2-CD1 3.12Å
175	L	43.5	Very low	41.2	Very low	20 Å²	20	39 Å²	39	11%	0.105	20%	0.2	C	C	.	.			trans	-91.1	72.4	176.5	-163.7	110.4	0	0	0	109.2	L70 I80 L134 I145 F173 P177 L202	L70-L175 HydrophobicContact CD1-CD2 4.29Å; L70-L175 HydrophobicContact CD2-CD1 3.98Å; L70-L175 HydrophobicContact CD2-CD2 3.65Å; L70-L175 HydrophobicContact CD2-CG 4.48Å; I80-L175 HydrophobicContact CD1-CD1 3.71Å; L134-L175 HydrophobicContact CD1-CD2 3.28Å; L134-L175 HydrophobicContact CD2-CD2 4.05Å; L134-L175 HydrophobicContact CG-CD2 4.27Å; I145-L175 HydrophobicContact CG2-CD2 4.01Å; F173-L175 VanDerWaalsContact C-N 3.31Å; F173-L175 PolarHBondContact O-N 2.91Å; L175-P177 WeakPolarHBondContact O-CD 3.35Å; L175-L202 HydrophobicContact CB-CD1 4.06Å; L175-L202 HydrophobicContact CD1-CB 4.06Å; L175-L202 HydrophobicContact CD1-CD1 3.62Å; L175-L202 HydrophobicContact CD1-CD2 4.38Å; L175-L202 HydrophobicContact CD1-CG 4.2Å; L175-L202 HydrophobicContact CG-CD1 4.44Å
176	I	43.3	Very low	41.4	Very low	35 Å²	35	43.7 Å²	43.7	18%	0.179	22%	0.217	C	C	.	.			trans	-100.4	86.3	160.2	-47.2	177.9	0	0	0	105.6	E129 Y149 N174 Y178 L240	E129-I176 HydrophobicContact CG-CG2 4.35Å; Y149-I176 HydrophobicContact CE2-CG1 4.31Å; N174-I176 VanDerWaalsContact C-N 3.34Å; N174-I176 PolarHBondContact O-N 2.72Å; I176-Y178 HydrophobicContact CB-CD2 4.2Å; I176-Y178 HydrophobicContact CB-CE2 3.64Å; I176-Y178 HydrophobicContact CG2-CD2 3.84Å; I176-Y178 HydrophobicContact CG2-CE1 4.16Å; I176-Y178 HydrophobicContact CG2-CE2 3.28Å; I176-Y178 HydrophobicContact CG2-CG 4.49Å; I176-Y178 VanDerWaalsContact CG2-CZ 3.47Å; I176-Y178 WeakPolarHBondContact O-CD2 3.17Å; I176-Y178 PolarHBondContact O-N 2.98Å; I176-L240 HydrophobicContact CD1-CD2 4.17Å
177	P	44.6	Very low	41.8	Very low	5 Å²	5	44.1 Å²	44.1	3%	0.032	22%	0.219	C	C	.	.			trans	-57.4	126.1	167.8	27.7	-35.5	0	0	0	106.4	G130 L134 L175	G130-P177 WeakPolarHBondContact CA-O 3.32Å; G130-P177 PolarHBondContact N-O 3.19Å; G130-P177 WeakPolarHBondContact O-CG 3.25Å; L134-P177 HydrophobicContact CD1-CG 3.96Å; L134-P177 HydrophobicContact CD2-CB 4.16Å; L134-P177 HydrophobicContact CD2-CG 3.71Å; L134-P177 HydrophobicContact CG-CG 3.84Å; L175-P177 WeakPolarHBondContact O-CD 3.35Å
178	Y	43.2	Very low	42	Very low	7 Å²	7	44 Å²	44	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	144.7	165.3	-72.2	-91.5	0	0	0	107.8	W127 K128 E129 I176 Y200	W127-Y178 HydrophobicContact CB-CD1 4.35Å; K128-Y178 WeakPolarHBondContact O-CA 3.32Å; E129-Y178 HydrophobicContact CG-CE1 3.93Å; I176-Y178 HydrophobicContact CB-CD2 4.2Å; I176-Y178 HydrophobicContact CB-CE2 3.64Å; I176-Y178 HydrophobicContact CG2-CD2 3.84Å; I176-Y178 HydrophobicContact CG2-CE1 4.16Å; I176-Y178 HydrophobicContact CG2-CE2 3.28Å; I176-Y178 HydrophobicContact CG2-CG 4.49Å; I176-Y178 VanDerWaalsContact CG2-CZ 3.47Å; I176-Y178 WeakPolarHBondContact O-CD2 3.17Å; I176-Y178 PolarHBondContact O-N 2.98Å; Y178-Y200 AromaticContact CD2-CD1 3.9Å; Y178-Y200 HydrophobicContact CD2-CD1 3.9Å; Y178-Y200 HydrophobicContact CD2-CE1 4.03Å; Y178-Y200 HydrophobicContact CG-CD1 4.42Å; Y178-Y200 HydrophobicContact CG-CE1 4.4Å
179	Y	45.7	Very low	42.1	Very low	29 Å²	29	41.2 Å²	41.2	11%	0.114	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.4	167.7	72.7	-82.7	0	0	0	109.7	W127 K128 C133 E181	W127-Y179 WeakPolarHBondContact CA-O 3.19Å; K128-Y179 HydrophobicContact CB-CD1 4.35Å; K128-Y179 HydrophobicContact CB-CE1 3.74Å; K128-Y179 HydrophobicContact CB-CE2 4.37Å; K128-Y179 PolarHBondContact N-O 3.25Å; K128-Y179 WeakPolarHBondContact O-CD1 3.3Å; K128-Y179 PolarHBondContact O-N 2.66Å; C133-Y179 VanDerWaalsContact SG-CD1 3.6Å; Y179-E181 HydrophobicContact CD2-CB 4.29Å; Y179-E181 HydrophobicContact CE2-CB 3.73Å; Y179-E181 HydrophobicContact CE2-CG 4.22Å; Y179-E181 PolarHBondContact O-N 3.47Å; Y179-E181 PolarHBondContact OH-OE2 3.24Å
180	C	45	Very low	42.1	Very low	10 Å²	10	45 Å²	45	7%	0.068	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	100.9	178	-162.3	0	0	0	0	106.9	W127 P188 C192	W127-C180 HydrophobicContact CE3-CB 4.31Å; W127-C180 HydrophobicContact CZ3-CB 4.27Å; C180-P188 HydrophobicContact CB-CB 4Å; C180-P188 WeakPolarHBondContact CB-O 3.46Å; C180-C192 HydrophobicContact CB-CB 3.9Å; C180-C192 WeakPolarHBondContact CB-SG 3.2Å; C180-C192 WeakPolarHBondContact SG-CB 3.45Å; C180-C192 CovalentContact SG-SG 2.08Å; C180-C192 PolarHBondContact SG-SG 2.87Å
181	E	48.6	Very low	42	Very low	29 Å²	29	42.2 Å²	42.2	14%	0.136	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142	173.2	-170.7	171.5	148.6	0	0	110	K36 P125 E126 K128 Y179	K36-E181 IonicContact NZ-OE1 2.62Å; K36-E181 PolarHBondContact NZ-OE1 3.49Å; K36-E181 IonicContact NZ-OE2 3.36Å; K36-E181 PolarHBondContact NZ-OE2 2.94Å; P125-E181 CarbonylContact C-O 3.46Å; P125-E181 VanDerWaalsContact CA-O 3.25Å; P125-E181 WeakPolarHBondContact CA-O 3.04Å; E126-E181 PolarHBondContact N-O 2.88Å; E126-E181 PolarHBondContact O-N 2.84Å; K128-E181 HydrophobicContact CD-CB 4.24Å; K128-E181 WeakPolarHBondContact CD-OE2 3.2Å; K128-E181 VanDerWaalsContact CE-CD 3.41Å; K128-E181 WeakPolarHBondContact CE-OE2 3.49Å; K128-E181 HydrophobicContact CG-CB 4.05Å; K128-E181 IonicContact NZ-OE1 3Å; K128-E181 PolarHBondContact NZ-OE1 2.98Å; K128-E181 IonicContact NZ-OE2 2.8Å; K128-E181 PolarHBondContact NZ-OE2 3.32Å; Y179-E181 HydrophobicContact CD2-CB 4.29Å; Y179-E181 HydrophobicContact CE2-CB 3.73Å; Y179-E181 HydrophobicContact CE2-CG 4.22Å; Y179-E181 PolarHBondContact O-N 3.47Å; Y179-E181 PolarHBondContact OH-OE2 3.24Å
182	G	46.8	Very low	42	Very low	20 Å²	20	42.4 Å²	42.4	21%	0.206	22%	0.22	C	C	.	.	S	Bend	trans	117.4	-8.5	163	0	0	0	0	0	116.1	L123	L123-G182 VanDerWaalsContact CB-O 3.22Å; L123-G182 WeakPolarHBondContact CB-O 3.22Å
183	M	43.1	Very low	41.7	Very low	72 Å²	72	45.1 Å²	45.1	36%	0.355	23%	0.231	S	C	.	.			trans	-107.2	122.8	171.4	-73.6	-154.6	-96.6	0	0	112.2	P125 S185 L191	P125-M183 HydrophobicContact CB-CE 3.91Å; P125-M183 HydrophobicContact CB-CG 4.45Å; P125-M183 HydrophobicContact CG-CE 3.97Å; M183-S185 PolarHBondContact O-N 3.36Å; M183-L191 HydrophobicContact CB-CD1 3.42Å; M183-L191 VanDerWaalsContact CB-CD1 3.42Å; M183-L191 HydrophobicContact CE-CB 3.56Å; M183-L191 HydrophobicContact CE-CD1 3.68Å; M183-L191 HydrophobicContact CE-CD2 3.75Å; M183-L191 HydrophobicContact CE-CG 3.85Å; M183-L191 HydrophobicContact CG-CD1 4.06Å; M183-L191 HydrophobicContact SD-CD1 3.62Å; M183-L191 HydrophobicContact SD-CD2 3.9Å; M183-L191 HydrophobicContact SD-CG 4.23Å
184	Q	45	Very low	41.3	Very low	104 Å²	104	54.3 Å²	54.3	49%	0.486	27%	0.266	S	S	.	.	S	Bend	trans	-81.3	-2.1	-174.5	-66.1	-175.8	-4.7	0	0	114.2	H50 G52	H50-Q184 CarbonylContact C-O 3.56Å; H50-Q184 WeakPolarHBondContact CA-O 3.2Å; H50-Q184 HydrophobicContact CB-CB 4.48Å; H50-Q184 WeakPolarHBondContact CB-O 3.2Å; H50-Q184 CarbonylContact O-C 3.5Å; G52-Q184 PolarHBondContact N-O 3.45Å
185	S	45.9	Very low	40.9	Very low	71 Å²	71	56.6 Å²	56.6	50%	0.497	29%	0.287	S	S	.	.	S	Bend	trans	-125.4	-1.1	-164.7	57.4	0	0	0	0	116.3	H50 M183	H50-S185 CarbonylContact O-C 3.51Å; H50-S185 WeakPolarHBondContact O-CA 3.41Å; M183-S185 PolarHBondContact O-N 3.36Å
186	R	40.6	Very low	40.6	Very low	130 Å²	130	57.5 Å²	57.5	49%	0.491	29%	0.292	S	S	.	.	S	Bend	trans	-145.8	161.5	177.6	-44.9	-165.3	-173.8	158	-6.3	111.9	L191	R186-L191 HydrophobicContact CB-CD1 3.44Å; R186-L191 VanDerWaalsContact CB-CD1 3.44Å; R186-L191 HydrophobicContact CB-CD2 4.44Å; R186-L191 HydrophobicContact CB-CG 3.64Å; R186-L191 VanDerWaalsContact CD-CD2 3.49Å; R186-L191 HydrophobicContact CG-CD1 3.68Å; R186-L191 HydrophobicContact CG-CD2 4.02Å; R186-L191 HydrophobicContact CG-CG 3.77Å
187	P	43.5	Very low	39.9	Very low	20 Å²	20	62 Å²	62	13%	0.13	31%	0.31	C	S	.	.			trans	-51.9	139.5	168.5	-22.3	32.6	0	0	0	110.1	Y49 N189 E190	Y49-P187 HydrophobicContact CD2-CG 4.38Å; Y49-P187 HydrophobicContact CE2-CB 4.33Å; Y49-P187 HydrophobicContact CE2-CG 3.92Å; P187-N189 PolarHBondContact O-N 3.23Å; P187-E190 HydrophobicContact CB-CB 4.41Å; P187-E190 HydrophobicContact CB-CG 4.26Å; P187-E190 VanDerWaalsContact CD-OE2 3.31Å; P187-E190 WeakPolarHBondContact CD-OE2 3.36Å; P187-E190 HydrophobicContact CG-CB 4.49Å; P187-E190 HydrophobicContact CG-CG 4.13Å; P187-E190 PolarHBondContact O-N 3.04Å
188	P	42.6	Very low	39.5	Very low	7 Å²	7	67.6 Å²	67.6	5%	0.045	34%	0.336	C	S	.	.	H	α-helix	trans	-52.2	-32.1	-178.2	-27.7	35.9	0	0	0	113.1	W66 C180	W66-P188 HydrophobicContact CZ2-CB 4.47Å; W66-P188 HydrophobicContact CZ2-CG 4.43Å; W66-P188 VanDerWaalsContact NE1-CD 3.26Å; C180-P188 HydrophobicContact CB-CB 4Å; C180-P188 WeakPolarHBondContact CB-O 3.46Å
189	N	39.2	Very low	38.9	Very low	48 Å²	48	69.3 Å²	69.3	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-76.8	-38.5	-178.1	-53.9	-8.3	0	0	0	111.9	P187 L191 E193	P187-N189 PolarHBondContact O-N 3.23Å; N189-L191 VanDerWaalsContact C-N 3.3Å; N189-L191 PolarHBondContact O-N 3.41Å; N189-E193 WeakPolarHBondContact O-CA 3.18Å; N189-E193 WeakPolarHBondContact O-CB 3.48Å; N189-E193 WeakPolarHBondContact O-CG 3.19Å; N189-E193 PolarHBondContact O-N 2.68Å
190	E	37	Very low	38.2	Very low	111 Å²	111	70.4 Å²	70.4	52%	0.519	35%	0.348	S	S	.	.	H	α-helix	trans	-69.3	-24.2	-174.8	-79.3	-174.6	-178.6	0	0	113.8	P187	P187-E190 HydrophobicContact CB-CB 4.41Å; P187-E190 HydrophobicContact CB-CG 4.26Å; P187-E190 VanDerWaalsContact CD-OE2 3.31Å; P187-E190 WeakPolarHBondContact CD-OE2 3.36Å; P187-E190 HydrophobicContact CG-CB 4.49Å; P187-E190 HydrophobicContact CG-CG 4.13Å; P187-E190 PolarHBondContact O-N 3.04Å
191	L	33.5	Very low	37.4	Very low	28 Å²	28	72.9 Å²	72.9	15%	0.147	37%	0.365	C	S	.	.	H	α-helix	trans	-91.4	-37.3	-179.6	-80.8	162.4	0	0	0	113.5	M183 R186 N189 E193	M183-L191 HydrophobicContact CB-CD1 3.42Å; M183-L191 VanDerWaalsContact CB-CD1 3.42Å; M183-L191 HydrophobicContact CE-CB 3.56Å; M183-L191 HydrophobicContact CE-CD1 3.68Å; M183-L191 HydrophobicContact CE-CD2 3.75Å; M183-L191 HydrophobicContact CE-CG 3.85Å; M183-L191 HydrophobicContact CG-CD1 4.06Å; M183-L191 HydrophobicContact SD-CD1 3.62Å; M183-L191 HydrophobicContact SD-CD2 3.9Å; M183-L191 HydrophobicContact SD-CG 4.23Å; R186-L191 HydrophobicContact CB-CD1 3.44Å; R186-L191 VanDerWaalsContact CB-CD1 3.44Å; R186-L191 HydrophobicContact CB-CD2 4.44Å; R186-L191 HydrophobicContact CB-CG 3.64Å; R186-L191 VanDerWaalsContact CD-CD2 3.49Å; R186-L191 HydrophobicContact CG-CD1 3.68Å; R186-L191 HydrophobicContact CG-CD2 4.02Å; R186-L191 HydrophobicContact CG-CG 3.77Å; N189-L191 VanDerWaalsContact C-N 3.3Å; N189-L191 PolarHBondContact O-N 3.41Å; L191-E193 PolarHBondContact O-N 3.42Å
192	C	36.5	Very low	36.6	Very low	35 Å²	35	73.2 Å²	73.2	24%	0.236	37%	0.368	C	S	.	.	H	α-helix	trans	-83.3	-0.4	176.7	-89.6	0	0	0	0	111.5	W127 C180 Y194	W127-C192 VanDerWaalsContact CE2-SG 3.52Å; W127-C192 HydrophobicContact CH2-CB 3.52Å; W127-C192 HydrophobicContact CZ2-CB 3.27Å; W127-C192 VanDerWaalsContact CZ2-SG 3.53Å; W127-C192 HydrophobicContact CZ3-CB 4.38Å; C180-C192 HydrophobicContact CB-CB 3.9Å; C180-C192 WeakPolarHBondContact CB-SG 3.2Å; C180-C192 WeakPolarHBondContact SG-CB 3.45Å; C180-C192 CovalentContact SG-SG 2.08Å; C180-C192 PolarHBondContact SG-SG 2.87Å; C192-Y194 PolarHBondContact O-N 2.81Å
193	E	30.8	Very low	35.8	Very low	80 Å²	80	76.5 Å²	76.5	37%	0.374	38%	0.38	S	S	.	.			trans	-63.8	10.6	-178.1	-117.7	174.4	-135.7	0	0	116	N189 L191 S195 K197	N189-E193 WeakPolarHBondContact O-CA 3.18Å; N189-E193 WeakPolarHBondContact O-CB 3.48Å; N189-E193 WeakPolarHBondContact O-CG 3.19Å; N189-E193 PolarHBondContact O-N 2.68Å; L191-E193 PolarHBondContact O-N 3.42Å; E193-S195 PolarHBondContact O-N 3Å; E193-K197 HydrophobicContact CG-CD 4.49Å; E193-K197 VanDerWaalsContact CG-CE 3.41Å; E193-K197 HydrophobicContact CG-CG 4.21Å; E193-K197 WeakPolarHBondContact OE1-CE 3.23Å; E193-K197 IonicContact OE1-NZ 2.81Å; E193-K197 PolarHBondContact OE1-NZ 3.49Å; E193-K197 WeakPolarHBondContact OE2-CE 3.36Å; E193-K197 IonicContact OE2-NZ 3.01Å; E193-K197 PolarHBondContact OE2-NZ 3.18Å
194	Y	28.9	Very low	35.3	Very low	217 Å²	217	76.1 Å²	76.1	85%	0.851	38%	0.378	S	S	*	.	S	Bend	trans	-69.2	1.9	-176.3	-100.2	-76.3	0	0	0	115.4	C192	C192-Y194 PolarHBondContact O-N 2.81Å
195	S	32.5	Very low	34.6	Very low	111 Å²	111	74.8 Å²	74.8	78%	0.776	38%	0.378	S	S	*	.	S	Bend	trans	-166.8	-18	166.3	17.1	0	0	0	0	119.4	E193	E193-S195 PolarHBondContact O-N 3Å
196	D	35.6	Very low	34	Very low	39 Å²	39	73.8 Å²	73.8	21%	0.209	38%	0.379	C	S	.	.			trans	-153.9	76.7	-159	-144.2	-29.8	0	0	0	114.3	E198 K199 Y200	D196-E198 PolarHBondContact O-N 3.38Å; D196-K199 HydrophobicContact CB-CB 3.92Å; D196-K199 HydrophobicContact CB-CD 4.02Å; D196-K199 HydrophobicContact CB-CG 4.21Å; D196-K199 VanDerWaalsContact CG-CG 3.49Å; D196-K199 PolarHBondContact OD1-N 2.94Å; D196-K199 WeakPolarHBondContact OD2-CD 3.07Å; D196-K199 VanDerWaalsContact OD2-CE 3.29Å; D196-K199 WeakPolarHBondContact OD2-CE 3.46Å; D196-K199 VanDerWaalsContact OD2-CG 3.26Å; D196-K199 WeakPolarHBondContact OD2-CG 3.15Å; D196-K199 IonicContact OD2-NZ 2.88Å; D196-Y200 WeakPolarHBondContact O-CD2 3.2Å
197	K	29.3	Very low	33.6	Very low	129 Å²	129	74.7 Å²	74.7	56%	0.561	40%	0.398	S	S	*	.	S	Bend	trans	-64.3	-27.5	172.2	-67.8	-170.6	-172.4	-160.4	0	111.8	E193 S201	E193-K197 HydrophobicContact CG-CD 4.49Å; E193-K197 VanDerWaalsContact CG-CE 3.41Å; E193-K197 HydrophobicContact CG-CG 4.21Å; E193-K197 WeakPolarHBondContact OE1-CE 3.23Å; E193-K197 IonicContact OE1-NZ 2.81Å; E193-K197 PolarHBondContact OE1-NZ 3.49Å; E193-K197 WeakPolarHBondContact OE2-CE 3.36Å; E193-K197 IonicContact OE2-NZ 3.01Å; E193-K197 PolarHBondContact OE2-NZ 3.18Å; K197-S201 WeakPolarHBondContact O-CB 3.48Å; K197-S201 PolarHBondContact O-OG 3.03Å
198	E	35.8	Very low	33.2	Very low	123 Å²	123	76.5 Å²	76.5	58%	0.575	42%	0.415	S	S	*	.	S	Bend	trans	-77.3	-35.1	-176.1	-64.7	-171.3	165.3	0	0	111.7	D196 Y200 S201	D196-E198 PolarHBondContact O-N 3.38Å; E198-Y200 PolarHBondContact O-N 3.22Å; E198-S201 PolarHBondContact O-N 2.77Å
199	K	31.3	Very low	32.9	Very low	42 Å²	42	79.1 Å²	79.1	18%	0.183	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-29.9	175.1	-109	-175.6	-172.1	173.5	0	116.5	D196 Q245	D196-K199 HydrophobicContact CB-CB 3.92Å; D196-K199 HydrophobicContact CB-CD 4.02Å; D196-K199 HydrophobicContact CB-CG 4.21Å; D196-K199 VanDerWaalsContact CG-CG 3.49Å; D196-K199 PolarHBondContact OD1-N 2.94Å; D196-K199 WeakPolarHBondContact OD2-CD 3.07Å; D196-K199 VanDerWaalsContact OD2-CE 3.29Å; D196-K199 WeakPolarHBondContact OD2-CE 3.46Å; D196-K199 VanDerWaalsContact OD2-CG 3.26Å; D196-K199 WeakPolarHBondContact OD2-CG 3.15Å; D196-K199 IonicContact OD2-NZ 2.88Å; K199-Q245 VanDerWaalsContact CE-NE2 3.26Å
200	Y	31.1	Very low	32.6	Very low	52 Å²	52	80.3 Å²	80.3	20%	0.204	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	5.7	-172.4	-52.1	-75	0	0	0	113.1	K68 W127 Y178 D196 E198	K68-Y200 PolarHBondContact NZ-O 2.96Å; W127-Y200 HydrophobicContact CH2-CD2 4.23Å; W127-Y200 AromaticContact CH2-CE2 3.98Å; W127-Y200 HydrophobicContact CH2-CE2 3.98Å; W127-Y200 AromaticContact CZ2-CE2 3.9Å; W127-Y200 HydrophobicContact CZ2-CE2 3.9Å; Y178-Y200 AromaticContact CD2-CD1 3.9Å; Y178-Y200 HydrophobicContact CD2-CD1 3.9Å; Y178-Y200 HydrophobicContact CD2-CE1 4.03Å; Y178-Y200 HydrophobicContact CG-CD1 4.42Å; Y178-Y200 HydrophobicContact CG-CE1 4.4Å; D196-Y200 WeakPolarHBondContact O-CD2 3.2Å; E198-Y200 PolarHBondContact O-N 3.22Å
201	S	28.1	Very low	32.5	Very low	62 Å²	62	79.1 Å²	79.1	43%	0.434	45%	0.452	S	S	.	.	S	Bend	trans	-94.2	131.1	176.8	-65.6	0	0	0	0	108.9	K197 E198 I203	K197-S201 WeakPolarHBondContact O-CB 3.48Å; K197-S201 PolarHBondContact O-OG 3.03Å; E198-S201 PolarHBondContact O-N 2.77Å; S201-I203 PolarHBondContact O-N 2.95Å; S201-I203 VanDerWaalsContact O-N 3.11Å
202	L	32.7	Very low	32.6	Very low	36 Å²	36	82 Å²	82	19%	0.188	47%	0.471	C	S	.	.			trans	-62.3	116.5	168.7	-173.7	88.2	0	0	0	107.1	L78 I80 F173 L175 I204	L78-L202 HydrophobicContact CD2-CD2 3.73Å; I80-L202 HydrophobicContact CD1-CB 3.61Å; I80-L202 HydrophobicContact CD1-CD2 3.28Å; I80-L202 HydrophobicContact CD1-CG 3.96Å; I80-L202 HydrophobicContact CG1-CD2 4.14Å; F173-L202 HydrophobicContact CD1-CD1 4.48Å; L175-L202 HydrophobicContact CB-CD1 4.06Å; L175-L202 HydrophobicContact CD1-CB 4.06Å; L175-L202 HydrophobicContact CD1-CD1 3.62Å; L175-L202 HydrophobicContact CD1-CD2 4.38Å; L175-L202 HydrophobicContact CD1-CG 4.2Å; L175-L202 HydrophobicContact CG-CD1 4.44Å; L202-I204 HydrophobicContact CD2-CD1 3.92Å; L202-I204 HydrophobicContact CD2-CG1 3.62Å; L202-I204 HydrophobicContact CG-CG1 4.28Å
203	I	29.8	Very low	32.4	Very low	90 Å²	90	81.2 Å²	81.2	46%	0.462	47%	0.465	S	S	.	.			trans	-110.8	108.6	167.1	-40.3	-177.4	0	0	0	107.3	V172 S201 T205	V172-I203 WeakPolarHBondContact CG1-O 3.13Å; S201-I203 PolarHBondContact O-N 2.95Å; S201-I203 VanDerWaalsContact O-N 3.11Å; I203-T205 HydrophobicContact CB-CG2 3.81Å; I203-T205 HydrophobicContact CG2-CG2 3.21Å; I203-T205 PolarHBondContact O-N 3.23Å
204	I	31.1	Very low	32.4	Very low	63 Å²	63	83 Å²	83	32%	0.323	48%	0.477	S	S	.	.			trans	-74.8	79.5	167.4	-55.6	177.1	0	0	0	106.9	L78 P166 L202 G206	L78-I204 HydrophobicContact CB-CD1 4.2Å; L78-I204 HydrophobicContact CD2-CD1 4.48Å; P166-I204 HydrophobicContact CB-CD1 4.2Å; P166-I204 HydrophobicContact CB-CG2 3.89Å; L202-I204 HydrophobicContact CD2-CD1 3.92Å; L202-I204 HydrophobicContact CD2-CG1 3.62Å; L202-I204 HydrophobicContact CG-CG1 4.28Å; I204-G206 PolarHBondContact O-N 2.88Å
205	T	31.6	Very low	32.5	Very low	77 Å²	77	82.2 Å²	82.2	47%	0.472	47%	0.474	S	S	.	.			trans	-87.4	99.1	178	56.8	0	0	0	0	110.1	I203	I203-T205 HydrophobicContact CB-CG2 3.81Å; I203-T205 HydrophobicContact CG2-CG2 3.21Å; I203-T205 PolarHBondContact O-N 3.23Å
206	G	32.5	Very low	32.6	Very low	50 Å²	50	81.4 Å²	81.4	52%	0.515	46%	0.464	S	S	.	.			trans	124.5	138.7	147.4	0	0	0	0	0	116.8	I204 A208	I204-G206 PolarHBondContact O-N 2.88Å; G206-A208 PolarHBondContact O-N 3.25Å
207	V	31.5	Very low	32.4	Very low	148 Å²	148	80.2 Å²	80.2	90%	0.897	46%	0.461	S	S	*	.			trans	-87.2	24.2	172.7	-141.7	0	0	0	0	111.4
208	A	35.5	Very low	32.7	Very low	58 Å²	58	78.8 Å²	78.8	48%	0.479	46%	0.459	S	S	.	.			trans	-68.4	146.7	-171.5	0	0	0	0	0	112.3	G206 C210 V213	G206-A208 PolarHBondContact O-N 3.25Å; A208-C210 PolarHBondContact O-N 2.92Å; A208-V213 HydrophobicContact CB-CG2 3.99Å
209	A	36	Very low	32.9	Very low	63 Å²	63	75.7 Å²	75.7	52%	0.521	46%	0.455	S	S	.	.			trans	-58.8	136.8	175.6	0	0	0	0	0	111.6	S211 T212	A209-S211 PolarHBondContact O-N 2.75Å; A209-S211 VanDerWaalsContact O-N 3.1Å; A209-T212 PolarHBondContact O-N 3.49Å; A209-T212 VanDerWaalsContact O-N 3.14Å; A209-T212 PolarHBondContact O-OG1 3.06Å
210	C	34.5	Very low	33.1	Very low	73 Å²	73	76.7 Å²	76.7	49%	0.493	46%	0.459	S	S	.	.	H	α-helix	trans	-54.6	-34.4	-172.3	-70	0	0	0	0	114.2	A208 V213 L214	A208-C210 PolarHBondContact O-N 2.92Å; C210-V213 PolarHBondContact O-N 2.85Å; C210-L214 PolarHBondContact O-N 3.39Å
211	S	34.9	Very low	33.3	Very low	86 Å²	86	80.2 Å²	80.2	60%	0.601	47%	0.473	S	S	*	.	H	α-helix	trans	-65.3	-38.4	-178.4	50.9	0	0	0	0	113	A209 V213	A209-S211 PolarHBondContact O-N 2.75Å; A209-S211 VanDerWaalsContact O-N 3.1Å; S211-V213 VanDerWaalsContact C-N 3.29Å; S211-V213 PolarHBondContact O-N 2.98Å
212	T	35	Very low	34	Very low	89 Å²	89	85.4 Å²	85.4	55%	0.546	49%	0.487	S	S	.	.	H	α-helix	trans	-68	-32.7	-179.8	-26.2	0	0	0	0	111.2	A209 T216	A209-T212 PolarHBondContact O-N 3.49Å; A209-T212 VanDerWaalsContact O-N 3.14Å; A209-T212 PolarHBondContact O-OG1 3.06Å; T212-T216 PolarHBondContact O-OG1 3.43Å; T212-T216 VanDerWaalsContact O-OG1 3.09Å
213	V	32.6	Very low	34.4	Very low	18 Å²	18	89.7 Å²	89.7	11%	0.109	51%	0.506	C	S	.	.	H	α-helix	trans	-81.7	-34.5	-172.8	-170.2	0	0	0	0	113	N169 A171 A208 C210 S211 Y215 T216 G217	N169-V213 WeakPolarHBondContact OD1-CG1 3.33Å; A171-V213 HydrophobicContact CB-CG1 3.63Å; A208-V213 HydrophobicContact CB-CG2 3.99Å; C210-V213 PolarHBondContact O-N 2.85Å; S211-V213 VanDerWaalsContact C-N 3.29Å; S211-V213 PolarHBondContact O-N 2.98Å; V213-Y215 VanDerWaalsContact C-N 3.27Å; V213-Y215 PolarHBondContact O-N 3.31Å; V213-T216 PolarHBondContact O-N 2.98Å; V213-G217 PolarHBondContact O-N 3.45Å; V213-G217 VanDerWaalsContact O-N 3.17Å
214	L	30	Very low	34.7	Very low	118 Å²	118	86.4 Å²	86.4	62%	0.618	49%	0.493	S	S	*	.	H	α-helix	trans	-58.9	-37.7	175.9	-81.1	162.1	0	0	0	112.5	C210 N218	C210-L214 PolarHBondContact O-N 3.39Å; L214-N218 PolarHBondContact O-N 3.42Å
215	Y	32.5	Very low	35.1	Very low	200 Å²	200	86.5 Å²	86.5	78%	0.784	50%	0.499	S	S	*	.	H	α-helix	trans	-64.8	-44.6	177.8	-105.5	-86.4	0	0	0	112.1	V213 N218 A219	V213-Y215 VanDerWaalsContact C-N 3.27Å; V213-Y215 PolarHBondContact O-N 3.31Å; Y215-N218 PolarHBondContact O-N 3.12Å; Y215-A219 PolarHBondContact O-N 3.02Å; Y215-A219 VanDerWaalsContact O-N 3.15Å
216	T	33.6	Very low	35.6	Very low	93 Å²	93	86 Å²	86	57%	0.571	50%	0.502	S	S	*	.	H	α-helix	trans	-65.1	-42.2	-179.2	-25	0	0	0	0	111.7	T212 V213 N218 A219 F220	T212-T216 PolarHBondContact O-OG1 3.43Å; T212-T216 VanDerWaalsContact O-OG1 3.09Å; V213-T216 PolarHBondContact O-N 2.98Å; T216-N218 PolarHBondContact O-N 3.49Å; T216-A219 PolarHBondContact O-N 2.69Å; T216-F220 WeakPolarHBondContact O-CB 3.41Å; T216-F220 PolarHBondContact O-N 3.08Å
217	G	31.1	Very low	35.8	Very low	14 Å²	14	87.1 Å²	87.1	14%	0.144	50%	0.496	C	S	.	.	H	α-helix	trans	-65.4	-37.8	179	0	0	0	0	0	114	V213 F220 R221	V213-G217 PolarHBondContact O-N 3.45Å; V213-G217 VanDerWaalsContact O-N 3.17Å; G217-F220 PolarHBondContact O-N 3.23Å; G217-R221 PolarHBondContact O-N 3.11Å
218	N	36.5	Very low	36	Very low	99 Å²	99	82.6 Å²	82.6	53%	0.529	47%	0.466	S	S	.	.	H	α-helix	trans	-70.6	-40.1	176.5	-93.1	-13.8	0	0	0	112.6	L214 Y215 T216 F220 R221 K222	L214-N218 PolarHBondContact O-N 3.42Å; Y215-N218 PolarHBondContact O-N 3.12Å; T216-N218 PolarHBondContact O-N 3.49Å; N218-F220 VanDerWaalsContact C-N 3.3Å; N218-F220 PolarHBondContact O-N 3.06Å; N218-R221 PolarHBondContact O-N 3.45Å; N218-K222 PolarHBondContact O-N 2.6Å; N218-K222 VanDerWaalsContact O-N 3.12Å
219	A	39.5	Very low	36.2	Very low	58 Å²	58	88 Å²	88	48%	0.479	48%	0.479	S	S	.	.	H	α-helix	trans	-60.1	-44.2	173.4	0	0	0	0	0	110.7	Y215 T216 K222 Q223	Y215-A219 PolarHBondContact O-N 3.02Å; Y215-A219 VanDerWaalsContact O-N 3.15Å; T216-A219 PolarHBondContact O-N 2.69Å; A219-K222 PolarHBondContact O-N 2.61Å; A219-Q223 PolarHBondContact O-N 2.67Å
220	F	36.2	Very low	36.5	Very low	63 Å²	63	88.7 Å²	88.7	28%	0.276	49%	0.493	S	S	.	.	H	α-helix	trans	-64.4	-44.8	178.7	-167.8	-97.3	0	0	0	113.1	T216 G217 N218 K222 Q223 A224 V243	T216-F220 WeakPolarHBondContact O-CB 3.41Å; T216-F220 PolarHBondContact O-N 3.08Å; G217-F220 PolarHBondContact O-N 3.23Å; N218-F220 VanDerWaalsContact C-N 3.3Å; N218-F220 PolarHBondContact O-N 3.06Å; F220-K222 VanDerWaalsContact C-N 3.3Å; F220-K222 PolarHBondContact O-N 3.04Å; F220-Q223 CarbonylContact O-C 3.56Å; F220-Q223 WeakPolarHBondContact O-CB 3.17Å; F220-Q223 PolarHBondContact O-N 2.7Å; F220-A224 WeakPolarHBondContact O-CB 3.26Å; F220-A224 PolarHBondContact O-N 3.12Å; F220-V243 HydrophobicContact CE1-CG1 3.53Å; F220-V243 HydrophobicContact CE2-CG1 3.62Å; F220-V243 HydrophobicContact CZ-CB 4.39Å; F220-V243 HydrophobicContact CZ-CG1 2.96Å
221	R	35.3	Very low	36.6	Very low	127 Å²	127	87.3 Å²	87.3	48%	0.479	48%	0.48	S	S	.	.	H	α-helix	trans	-59.7	-40.8	174.9	-83.5	-171.5	-119.3	-164.4	-2.5	112.4	G217 N218 Q223 S225	G217-R221 PolarHBondContact O-N 3.11Å; N218-R221 PolarHBondContact O-N 3.45Å; R221-Q223 VanDerWaalsContact C-N 3.3Å; R221-Q223 PolarHBondContact O-N 3.06Å; R221-S225 WeakPolarHBondContact O-CB 3.31Å; R221-S225 PolarHBondContact O-N 3.24Å
222	K	42.2	Very low	36.9	Very low	170 Å²	170	87.4 Å²	87.4	74%	0.739	47%	0.474	S	S	*	.	H	α-helix	trans	-62.1	-41.5	174.1	-78.2	-176.3	176.8	-178.7	0	111	N218 A219 F220 A226	N218-K222 PolarHBondContact O-N 2.6Å; N218-K222 VanDerWaalsContact O-N 3.12Å; A219-K222 PolarHBondContact O-N 2.61Å; F220-K222 VanDerWaalsContact C-N 3.3Å; F220-K222 PolarHBondContact O-N 3.04Å; K222-A226 WeakPolarHBondContact O-CB 3.06Å; K222-A226 PolarHBondContact O-N 2.91Å
223	Q	39.9	Very low	37	Very low	126 Å²	126	90.7 Å²	90.7	59%	0.589	48%	0.483	S	S	*	.	H	α-helix	trans	-69.4	-49.5	-179.8	-147.5	170.1	12.3	0	0	111.9	A219 F220 R221 A226 I227	A219-Q223 PolarHBondContact O-N 2.67Å; F220-Q223 CarbonylContact O-C 3.56Å; F220-Q223 WeakPolarHBondContact O-CB 3.17Å; F220-Q223 PolarHBondContact O-N 2.7Å; R221-Q223 VanDerWaalsContact C-N 3.3Å; R221-Q223 PolarHBondContact O-N 3.06Å; Q223-A226 PolarHBondContact O-N 2.94Å; Q223-I227 HydrophobicContact CG-CD1 4.33Å; Q223-I227 WeakPolarHBondContact O-CD1 3.29Å; Q223-I227 WeakPolarHBondContact O-CG1 3.43Å; Q223-I227 PolarHBondContact O-N 3.1Å
224	A	37.4	Very low	37.2	Very low	22 Å²	22	94.3 Å²	94.3	18%	0.182	51%	0.505	C	S	.	.	H	α-helix	trans	-60.7	-46.5	175.4	0	0	0	0	0	111.4	F220 A226 I227 L228	F220-A224 WeakPolarHBondContact O-CB 3.26Å; F220-A224 PolarHBondContact O-N 3.12Å; A224-A226 VanDerWaalsContact C-N 3.32Å; A224-A226 PolarHBondContact O-N 2.94Å; A224-I227 PolarHBondContact O-N 3.49Å; A224-L228 WeakPolarHBondContact O-CB 3.44Å; A224-L228 WeakPolarHBondContact O-CD1 3.36Å; A224-L228 WeakPolarHBondContact O-CG 2.85Å; A224-L228 PolarHBondContact O-N 2.87Å
225	S	39.9	Very low	37.6	Very low	64 Å²	64	91.9 Å²	91.9	45%	0.448	49%	0.493	S	S	.	.	H	α-helix	trans	-64.5	-35.8	177.2	-169.6	0	0	0	0	112.4	R221 K229	R221-S225 WeakPolarHBondContact O-CB 3.31Å; R221-S225 PolarHBondContact O-N 3.24Å; S225-K229 WeakPolarHBondContact O-CB 3.27Å; S225-K229 WeakPolarHBondContact O-CG 3.49Å; S225-K229 PolarHBondContact O-N 3.42Å
226	A	40.5	Very low	37.6	Very low	66 Å²	66	88.1 Å²	88.1	55%	0.545	48%	0.477	S	S	.	.	H	α-helix	trans	-67.2	-41.1	173.8	0	0	0	0	0	112.2	K222 Q223 A224 K229	K222-A226 WeakPolarHBondContact O-CB 3.06Å; K222-A226 PolarHBondContact O-N 2.91Å; Q223-A226 PolarHBondContact O-N 2.94Å; A224-A226 VanDerWaalsContact C-N 3.32Å; A224-A226 PolarHBondContact O-N 2.94Å; A226-K229 PolarHBondContact O-N 3.15Å
227	I	38.5	Very low	37.5	Very low	74 Å²	74	87 Å²	87	38%	0.379	47%	0.468	S	S	.	.	H	α-helix	trans	-69.7	-40.4	177.8	-63	161.8	0	0	0	110.5	Q223 A224 K229 L231 V239	Q223-I227 HydrophobicContact CG-CD1 4.33Å; Q223-I227 WeakPolarHBondContact O-CD1 3.29Å; Q223-I227 WeakPolarHBondContact O-CG1 3.43Å; Q223-I227 PolarHBondContact O-N 3.1Å; A224-I227 PolarHBondContact O-N 3.49Å; I227-K229 VanDerWaalsContact C-N 3.3Å; I227-K229 PolarHBondContact O-N 3.49Å; I227-L231 HydrophobicContact CG2-CD1 3.81Å; I227-L231 WeakPolarHBondContact O-CD1 2.96Å; I227-L231 VanDerWaalsContact O-CG 3.24Å; I227-L231 WeakPolarHBondContact O-CG 3.39Å; I227-V239 HydrophobicContact CB-CG1 4.28Å; I227-V239 HydrophobicContact CG2-CB 4.23Å; I227-V239 HydrophobicContact CG2-CG1 3.49Å; I227-V239 VanDerWaalsContact CG2-CG1 3.49Å; I227-V239 HydrophobicContact CG2-CG2 3.76Å
228	L	33.7	Very low	37.5	Very low	53 Å²	53	92.5 Å²	92.5	28%	0.277	49%	0.489	S	S	.	.	H	α-helix	trans	-69.7	-26.7	179.1	-67.1	168.5	0	0	0	112.7	A224 G230 L231 R236	A224-L228 WeakPolarHBondContact O-CB 3.44Å; A224-L228 WeakPolarHBondContact O-CD1 3.36Å; A224-L228 WeakPolarHBondContact O-CG 2.85Å; A224-L228 PolarHBondContact O-N 2.87Å; L228-G230 VanDerWaalsContact C-N 3.34Å; L228-G230 PolarHBondContact O-N 3.48Å; L228-L231 PolarHBondContact O-N 3.01Å; L228-R236 HydrophobicContact CD2-CB 3.77Å; L228-R236 HydrophobicContact CD2-CG 3.65Å
229	K	40.5	Very low	37.3	Very low	172 Å²	172	89.1 Å²	89.1	75%	0.748	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	87.3	172.3	-85.3	-176.7	176.8	-176.8	0	110.3	S225 A226 I227	S225-K229 WeakPolarHBondContact O-CB 3.27Å; S225-K229 WeakPolarHBondContact O-CG 3.49Å; S225-K229 PolarHBondContact O-N 3.42Å; A226-K229 PolarHBondContact O-N 3.15Å; I227-K229 VanDerWaalsContact C-N 3.3Å; I227-K229 PolarHBondContact O-N 3.49Å
230	G	42.8	Very low	36.8	Very low	78 Å²	78	89.3 Å²	89.3	80%	0.804	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	137.5	-11.8	174.3	0	0	0	0	0	113.7	L228	L228-G230 VanDerWaalsContact C-N 3.34Å; L228-G230 PolarHBondContact O-N 3.48Å
231	L	35.2	Very low	36.4	Very low	44 Å²	44	87.5 Å²	87.5	23%	0.23	46%	0.46	C	S	.	.			trans	-90.1	140.5	-178.7	-65.3	178.1	0	0	0	111.8	I227 L228 D235 R236 V239	I227-L231 HydrophobicContact CG2-CD1 3.81Å; I227-L231 WeakPolarHBondContact O-CD1 2.96Å; I227-L231 VanDerWaalsContact O-CG 3.24Å; I227-L231 WeakPolarHBondContact O-CG 3.39Å; L228-L231 PolarHBondContact O-N 3.01Å; L231-D235 HydrophobicContact CB-CB 3.86Å; L231-D235 HydrophobicContact CD1-CB 4.28Å; L231-D235 HydrophobicContact CD2-CB 3.78Å; L231-D235 HydrophobicContact CG-CB 4.16Å; L231-R236 HydrophobicContact CB-CG 3.87Å; L231-R236 PolarHBondContact O-NE 3.33Å; L231-V239 HydrophobicContact CD1-CB 4.09Å; L231-V239 HydrophobicContact CD1-CG2 3.41Å; L231-V239 VanDerWaalsContact CD1-CG2 3.41Å
232	N	42.4	Very low	36	Very low	88 Å²	88	84.5 Å²	84.5	47%	0.471	46%	0.458	S	S	.	.			trans	-68.6	166.7	165.1	66.5	48.3	0	0	0	110	T234 D235 R236	N232-T234 VanDerWaalsContact C-N 3.29Å; N232-T234 PolarHBondContact O-N 3Å; N232-T234 PolarHBondContact OD1-N 2.97Å; N232-D235 VanDerWaalsContact CG-OD2 3.24Å; N232-D235 PolarHBondContact ND2-OD2 3.17Å; N232-D235 PolarHBondContact O-N 3.28Å; N232-D235 VanDerWaalsContact O-N 3.14Å; N232-D235 WeakPolarHBondContact OD1-CB 3.4Å; N232-D235 VanDerWaalsContact OD1-CG 3.27Å; N232-D235 PolarHBondContact OD1-N 3.4Å; N232-D235 PolarHBondContact OD1-OD2 3.4Å; N232-R236 WeakPolarHBondContact O-CG 2.81Å; N232-R236 PolarHBondContact O-N 3.03Å
233	E	37.4	Very low	35.3	Very low	157 Å²	157	77.7 Å²	77.7	73%	0.734	43%	0.43	S	S	*	.	H	α-helix	trans	-58.4	-38	-172.4	-159.3	168.5	-164.6	0	0	113.4	R236 L237	E233-R236 PolarHBondContact O-N 3.16Å; E233-L237 PolarHBondContact O-N 3.05Å
234	T	36.1	Very low	34.8	Very low	95 Å²	95	73.2 Å²	73.2	58%	0.583	41%	0.411	S	S	*	.	H	α-helix	trans	-68.2	-38.6	177.6	-44.7	0	0	0	0	112.4	N232 L237 H238	N232-T234 VanDerWaalsContact C-N 3.29Å; N232-T234 PolarHBondContact O-N 3Å; N232-T234 PolarHBondContact OD1-N 2.97Å; T234-L237 WeakPolarHBondContact O-CB 3.04Å; T234-L237 PolarHBondContact O-N 3.36Å; T234-H238 PolarHBondContact O-N 3.18Å; T234-H238 PolarHBondContact O-ND1 2.93Å
235	D	37.7	Very low	34.2	Very low	67 Å²	67	76.7 Å²	76.7	36%	0.358	42%	0.423	S	S	.	.	H	α-helix	trans	-74.2	-31.4	177.3	-67.3	-30.3	0	0	0	111.8	L231 N232 L237 H238 V239	L231-D235 HydrophobicContact CB-CB 3.86Å; L231-D235 HydrophobicContact CD1-CB 4.28Å; L231-D235 HydrophobicContact CD2-CB 3.78Å; L231-D235 HydrophobicContact CG-CB 4.16Å; N232-D235 VanDerWaalsContact CG-OD2 3.24Å; N232-D235 PolarHBondContact ND2-OD2 3.17Å; N232-D235 PolarHBondContact O-N 3.28Å; N232-D235 VanDerWaalsContact O-N 3.14Å; N232-D235 WeakPolarHBondContact OD1-CB 3.4Å; N232-D235 VanDerWaalsContact OD1-CG 3.27Å; N232-D235 PolarHBondContact OD1-N 3.4Å; N232-D235 PolarHBondContact OD1-OD2 3.4Å; D235-L237 VanDerWaalsContact C-N 3.3Å; D235-L237 PolarHBondContact O-N 2.81Å; D235-H238 PolarHBondContact O-N 3.37Å; D235-V239 WeakPolarHBondContact O-CB 3.39Å; D235-V239 WeakPolarHBondContact O-CG2 3.4Å; D235-V239 PolarHBondContact O-N 3.27Å
236	R	32.3	Very low	33.5	Very low	121 Å²	121	78.3 Å²	78.3	46%	0.457	43%	0.43	S	S	.	.	H	α-helix	trans	-60.7	-42.1	172.3	-69	177	-173	-177.4	0.3	111.3	L228 L231 N232 E233 V239 L240	L228-R236 HydrophobicContact CD2-CB 3.77Å; L228-R236 HydrophobicContact CD2-CG 3.65Å; L231-R236 HydrophobicContact CB-CG 3.87Å; L231-R236 PolarHBondContact O-NE 3.33Å; N232-R236 WeakPolarHBondContact O-CG 2.81Å; N232-R236 PolarHBondContact O-N 3.03Å; E233-R236 PolarHBondContact O-N 3.16Å; R236-V239 PolarHBondContact O-N 3.4Å; R236-L240 WeakPolarHBondContact O-CB 3.45Å; R236-L240 PolarHBondContact O-N 2.93Å
237	L	32.7	Very low	32.9	Very low	70 Å²	70	79.5 Å²	79.5	37%	0.366	43%	0.426	S	S	.	.	H	α-helix	trans	-62.1	-46.1	174.3	-94	148.2	0	0	0	111.7	E233 T234 D235 V239 L240 C241	E233-L237 PolarHBondContact O-N 3.05Å; T234-L237 WeakPolarHBondContact O-CB 3.04Å; T234-L237 PolarHBondContact O-N 3.36Å; D235-L237 VanDerWaalsContact C-N 3.3Å; D235-L237 PolarHBondContact O-N 2.81Å; L237-V239 PolarHBondContact O-N 3.24Å; L237-L240 PolarHBondContact O-N 3.29Å; L237-C241 PolarHBondContact O-N 3.35Å; L237-C241 PolarHBondContact O-SG 3.09Å; L237-C241 VanDerWaalsContact O-SG 3.39Å
238	H	31.4	Very low	32.4	Very low	128 Å²	128	80.5 Å²	80.5	59%	0.593	43%	0.432	S	S	*	.	H	α-helix	trans	-61.1	-42.9	175.4	-92.2	85.9	0	0	0	112.6	T234 D235 C241 S242	T234-H238 PolarHBondContact O-N 3.18Å; T234-H238 PolarHBondContact O-ND1 2.93Å; D235-H238 PolarHBondContact O-N 3.37Å; H238-C241 CarbonylContact O-C 3.54Å; H238-C241 WeakPolarHBondContact O-CA 3.42Å; H238-C241 WeakPolarHBondContact O-CB 3.44Å; H238-C241 PolarHBondContact O-N 3.46Å; H238-C241 VanDerWaalsContact O-N 3.15Å; H238-S242 PolarHBondContact O-N 3.27Å; H238-S242 PolarHBondContact O-OG 3.49Å
239	V	30.7	Very low	31.9	Very low	29 Å²	29	88.6 Å²	88.6	18%	0.176	46%	0.459	C	S	.	.	H	α-helix	trans	-66.2	-41.4	177.8	165.8	0	0	0	0	111.6	I227 L231 D235 R236 L237 C241 S242 V243	I227-V239 HydrophobicContact CB-CG1 4.28Å; I227-V239 HydrophobicContact CG2-CB 4.23Å; I227-V239 HydrophobicContact CG2-CG1 3.49Å; I227-V239 VanDerWaalsContact CG2-CG1 3.49Å; I227-V239 HydrophobicContact CG2-CG2 3.76Å; L231-V239 HydrophobicContact CD1-CB 4.09Å; L231-V239 HydrophobicContact CD1-CG2 3.41Å; L231-V239 VanDerWaalsContact CD1-CG2 3.41Å; D235-V239 WeakPolarHBondContact O-CB 3.39Å; D235-V239 WeakPolarHBondContact O-CG2 3.4Å; D235-V239 PolarHBondContact O-N 3.27Å; R236-V239 PolarHBondContact O-N 3.4Å; L237-V239 PolarHBondContact O-N 3.24Å; V239-C241 PolarHBondContact O-N 3.34Å; V239-S242 PolarHBondContact O-N 3.35Å; V239-S242 VanDerWaalsContact O-N 3.11Å; V239-V243 HydrophobicContact CG1-CG2 3.69Å; V239-V243 WeakPolarHBondContact O-CB 3.46Å; V239-V243 WeakPolarHBondContact O-CG2 3.41Å; V239-V243 PolarHBondContact O-N 2.91Å
240	L	30.9	Very low	31.3	Very low	61 Å²	61	91.9 Å²	91.9	32%	0.319	47%	0.467	S	S	.	.	H	α-helix	trans	-55.4	-39.6	171.9	-86.3	156.4	0	0	0	111.1	I176 R236 L237	I176-L240 HydrophobicContact CD1-CD2 4.17Å; R236-L240 WeakPolarHBondContact O-CB 3.45Å; R236-L240 PolarHBondContact O-N 2.93Å; L237-L240 PolarHBondContact O-N 3.29Å
241	C	26.8	Very low	30.4	Very low	26 Å²	26	93.1 Å²	93.1	18%	0.176	46%	0.464	C	S	.	.	H	α-helix	trans	-69.8	-35.1	174.9	-69.8	0	0	0	0	114.3	L237 H238 V239	L237-C241 PolarHBondContact O-N 3.35Å; L237-C241 PolarHBondContact O-SG 3.09Å; L237-C241 VanDerWaalsContact O-SG 3.39Å; H238-C241 CarbonylContact O-C 3.54Å; H238-C241 WeakPolarHBondContact O-CA 3.42Å; H238-C241 WeakPolarHBondContact O-CB 3.44Å; H238-C241 PolarHBondContact O-N 3.46Å; H238-C241 VanDerWaalsContact O-N 3.15Å; V239-C241 PolarHBondContact O-N 3.34Å
242	S	26.7	Very low	30	Very low	63 Å²	63	103.4 Å²	103.4	44%	0.441	51%	0.51	S	S	.	.	H	α-helix	trans	-78.7	-33.2	178.2	-60.2	0	0	0	0	112.9	H238 V239 L244 Q245	H238-S242 PolarHBondContact O-N 3.27Å; H238-S242 PolarHBondContact O-OG 3.49Å; V239-S242 PolarHBondContact O-N 3.35Å; V239-S242 VanDerWaalsContact O-N 3.11Å; S242-L244 VanDerWaalsContact C-N 3.29Å; S242-L244 PolarHBondContact O-N 3.43Å; S242-Q245 WeakPolarHBondContact O-CB 3.39Å; S242-Q245 PolarHBondContact O-N 3.38Å
243	V	28.3	Very low	29.4	Very low	27 Å²	27	104.2 Å²	104.2	16%	0.164	51%	0.512	C	S	.	.	H	α-helix	trans	-69.7	-28.4	-176.8	165.7	0	0	0	0	111.5	F220 V239 Q245 V246	F220-V243 HydrophobicContact CE1-CG1 3.53Å; F220-V243 HydrophobicContact CE2-CG1 3.62Å; F220-V243 HydrophobicContact CZ-CB 4.39Å; F220-V243 HydrophobicContact CZ-CG1 2.96Å; V239-V243 HydrophobicContact CG1-CG2 3.69Å; V239-V243 WeakPolarHBondContact O-CB 3.46Å; V239-V243 WeakPolarHBondContact O-CG2 3.41Å; V239-V243 PolarHBondContact O-N 2.91Å; V243-Q245 VanDerWaalsContact C-N 3.25Å; V243-Q245 PolarHBondContact O-N 3.36Å; V243-V246 PolarHBondContact O-N 2.63Å
244	L	29	Very low	29	Very low	33 Å²	33	101.4 Å²	101.4	17%	0.173	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-66.6	-25.5	170	-72.9	166.3	0	0	0	113.2	N174 S242 V246	N174-L244 HydrophobicContact CB-CD2 3.81Å; S242-L244 VanDerWaalsContact C-N 3.29Å; S242-L244 PolarHBondContact O-N 3.43Å; L244-V246 PolarHBondContact O-N 3.44Å
245	Q	25.3	Very low	28.6	Very low	94 Å²	94	101.7 Å²	101.7	44%	0.439	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-73.4	-16	-178.6	-142.2	166.2	11.2	0	0	112.9	K199 S242 V243 I247 D248	K199-Q245 VanDerWaalsContact CE-NE2 3.26Å; S242-Q245 WeakPolarHBondContact O-CB 3.39Å; S242-Q245 PolarHBondContact O-N 3.38Å; V243-Q245 VanDerWaalsContact C-N 3.25Å; V243-Q245 PolarHBondContact O-N 3.36Å; Q245-I247 VanDerWaalsContact C-N 3.29Å; Q245-I247 PolarHBondContact O-N 3.14Å; Q245-D248 PolarHBondContact O-N 3.29Å
246	V	24	Very low	28.1	Very low	98 Å²	98	103.8 Å²	103.8	59%	0.594	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-77.8	-12.5	-176.1	-177.7	0	0	0	0	112.8	V243 L244 D248	V243-V246 PolarHBondContact O-N 2.63Å; L244-V246 PolarHBondContact O-N 3.44Å; V246-D248 VanDerWaalsContact C-N 3.29Å
247	I	27.8	Very low	27.8	Very low	91 Å²	91	102.7 Å²	102.7	47%	0.467	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-82.7	-11.2	176.6	-57.7	-178.3	0	0	0	111.7	N174 Q245 R249	N174-I247 WeakPolarHBondContact ND2-CD1 3.12Å; Q245-I247 VanDerWaalsContact C-N 3.29Å; Q245-I247 PolarHBondContact O-N 3.14Å; I247-R249 PolarHBondContact O-N 3.1Å
248	D	27.7	Very low	27.5	Very low	96 Å²	96	104.9 Å²	104.9	51%	0.513	52%	0.516	S	S	.	.			trans	-82.4	54.1	172.9	-167.8	18.2	0	0	0	112.6	Q245 V246	Q245-D248 PolarHBondContact O-N 3.29Å; V246-D248 VanDerWaalsContact C-N 3.29Å
249	R	24.6	Very low	27.2	Very low	222 Å²	222	103.2 Å²	103.2	84%	0.838	51%	0.511	S	S	*	.			trans	-127.5	72.6	165.7	-78.3	-163.8	-177.3	-168.1	1.6	109.5	I247	I247-R249 PolarHBondContact O-N 3.1Å
250	R	27	Very low	26.9	Very low	241 Å²	241	108.9 Å²	108.9	91%	0.909	54%	0.537	S	S	*	.			trans	-162.6	55.5	152.2	-105.5	168.5	-157.7	-147.6	5.6	110.5
251	S	24.5	Very low	26.6	Very low	105 Å²	105	112.9 Å²	112.9	73%	0.734	56%	0.555	S	S	*	*			trans	-105.3	56.6	150	64.9	0	0	0	0	108.7
252	E	27.7	Very low	26.6	Very low	259 Å²	259	120.8 Å²	120.8	100%	1.21	59%	0.589	S	S	*	*			trans	-147	0	159.3	-77.3	-170.1	168.2	0	0	108.6

Retrieved 252 of 252 residues in 658.9 ms (Link to these results)

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