A0A061IAP8_CRIGR Loading...

Ankyrin repeat and SOCS box protein 7

Probable substrate-recognition component of a SCF-like ECS (Elongin-Cullin-SOCS-box protein) E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins. Plays a role in spindle dynamics and genome integrity by targeting the mitotic progression protein PSRC1 for proteasomal degradation in a cell cycle-dependent manner. Also participates in meiosis by mediating the proper attachment between kinetochores and microtubules.

AlphaFold DB (A0A024RCD9), UniProt , Accession A0A061IAP8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 274 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	37.1	Very low	51.8	Low	232 Å²	232	160.5 Å²	160.5	100%	1.143	77%	0.77	S	S	*	*				0	90.5	0	-69.2	179.9	-163.6	0	0	108.3
2	L	33.8	Very low	54.2	Low	166 Å²	166	154.7 Å²	154.7	87%	0.869	75%	0.745	S	S	*	*			trans	-98.7	86.4	173.5	-76.7	163.5	0	0	0	107.7	H4	L2-H4 VanDerWaalsContact C-N 3.3Å; L2-H4 PolarHBondContact O-N 3.09Å; L2-H4 VanDerWaalsContact O-N 3.07Å
3	H	38.5	Very low	56.6	Low	160 Å²	160	151.2 Å²	151.2	74%	0.741	73%	0.727	S	S	*	*			trans	-74	89.3	164.5	-90.2	-76.6	0	0	0	108	H5	H3-H5 PolarHBondContact O-N 3.3Å
4	H	39.6	Very low	58.7	Low	174 Å²	174	147.6 Å²	147.6	81%	0.806	71%	0.709	S	S	*	*			trans	-66.8	87.9	159.7	-97	-69.2	0	0	0	107.9	L2 C6	L2-H4 VanDerWaalsContact C-N 3.3Å; L2-H4 PolarHBondContact O-N 3.09Å; L2-H4 VanDerWaalsContact O-N 3.07Å; H4-C6 PolarHBondContact O-N 3.31Å
5	H	43.8	Very low	60.7	Low	158 Å²	158	141.1 Å²	141.1	73%	0.731	68%	0.677	S	S	*	*			trans	-61.9	93.6	158.8	-81.8	-64.3	0	0	0	107.6	H3 R7	H3-H5 PolarHBondContact O-N 3.3Å; H5-R7 PolarHBondContact O-N 3.18Å
6	C	42	Very low	62.5	Low	125 Å²	125	138.8 Å²	138.8	85%	0.845	67%	0.669	S	S	*	*			trans	-63.7	86.2	160.3	-153.9	0	0	0	0	106.2	H4 R8	H4-C6 PolarHBondContact O-N 3.31Å; C6-R8 PolarHBondContact O-N 3.37Å
7	R	51.8	Low	64.4	Low	234 Å²	234	136.8 Å²	136.8	88%	0.883	66%	0.659	S	S	*	*			trans	-57	107.6	170	-82.5	-176	173.4	-177.4	-2.2	106	H5 N9	H5-R7 PolarHBondContact O-N 3.18Å; R7-N9 PolarHBondContact O-N 2.78Å
8	R	57.7	Low	66.1	Low	202 Å²	202	129.2 Å²	129.2	76%	0.762	62%	0.622	S	S	*	*			trans	-54.2	127.5	166.7	-85.2	-179.8	172	171.5	-3	107	C6 P10	C6-R8 PolarHBondContact O-N 3.37Å; R8-P10 WeakPolarHBondContact O-CD 3.39Å
9	N	73.3	Confident	67.5	Low	83 Å²	83	125.4 Å²	125.4	44%	0.444	60%	0.603	S	S	.	*			trans	-55.7	117.8	178.1	-176.8	-3	0	0	0	108.7	R7 E11 L12 Q13	R7-N9 PolarHBondContact O-N 2.78Å; N9-E11 PolarHBondContact O-N 2.96Å; N9-E11 PolarHBondContact OD1-N 3.33Å; N9-L12 HydrophobicContact CB-CB 3.89Å; N9-L12 WeakPolarHBondContact O-CB 3.32Å; N9-L12 PolarHBondContact O-N 3.18Å; N9-L12 VanDerWaalsContact O-N 3.07Å; N9-Q13 PolarHBondContact O-N 2.94Å; N9-Q13 VanDerWaalsContact O-N 3.1Å
10	P	75.4	Confident	68.9	Low	90 Å²	90	122.2 Å²	122.2	58%	0.584	60%	0.598	S	S	*	*	H	α-helix	trans	-55.2	-38.5	-177	-27	35.2	0	0	0	113.2	R8 L12 Q13 E14	R8-P10 WeakPolarHBondContact O-CD 3.39Å; P10-L12 VanDerWaalsContact C-N 3.35Å; P10-L12 PolarHBondContact O-N 3.47Å; P10-Q13 WeakPolarHBondContact O-CB 3.38Å; P10-Q13 PolarHBondContact O-N 3.37Å; P10-Q13 VanDerWaalsContact O-N 3.1Å; P10-E14 PolarHBondContact O-N 3.38Å
11	E	77.2	Confident	70.2	Confident	142 Å²	142	116.7 Å²	116.7	66%	0.664	57%	0.572	S	S	*	*	H	α-helix	trans	-62.2	-42.4	177.1	-63.6	174.7	172.5	0	0	111.6	N9 Q13 E14 E15	N9-E11 PolarHBondContact O-N 2.96Å; N9-E11 PolarHBondContact OD1-N 3.33Å; E11-Q13 PolarHBondContact O-N 3.16Å; E11-E14 PolarHBondContact O-N 3.3Å; E11-E15 WeakPolarHBondContact O-CB 3.34Å; E11-E15 PolarHBondContact O-N 3.34Å
12	L	80.6	Confident	73	Confident	90 Å²	90	105.6 Å²	105.6	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-64.6	-33.8	176.3	-171.3	72.8	0	0	0	111.1	N9 P10 L16	N9-L12 HydrophobicContact CB-CB 3.89Å; N9-L12 WeakPolarHBondContact O-CB 3.32Å; N9-L12 PolarHBondContact O-N 3.18Å; N9-L12 VanDerWaalsContact O-N 3.07Å; P10-L12 VanDerWaalsContact C-N 3.35Å; P10-L12 PolarHBondContact O-N 3.47Å; L12-L16 HydrophobicContact CD1-CD1 4.16Å; L12-L16 HydrophobicContact CG-CD1 4.05Å; L12-L16 WeakPolarHBondContact O-CD1 3.45Å; L12-L16 PolarHBondContact O-N 3.11Å
13	Q	84.4	Confident	75.9	Confident	110 Å²	110	99.2 Å²	99.2	51%	0.514	49%	0.489	S	S	.	.	H	α-helix	trans	-72.8	-39.1	179	-168.2	161.8	-31.1	0	0	111.9	N9 P10 E11 Q17	N9-Q13 PolarHBondContact O-N 2.94Å; N9-Q13 VanDerWaalsContact O-N 3.1Å; P10-Q13 WeakPolarHBondContact O-CB 3.38Å; P10-Q13 PolarHBondContact O-N 3.37Å; P10-Q13 VanDerWaalsContact O-N 3.1Å; E11-Q13 PolarHBondContact O-N 3.16Å; Q13-Q17 WeakPolarHBondContact O-CB 3.29Å; Q13-Q17 PolarHBondContact O-N 3.48Å
14	E	87.1	Confident	78.7	Confident	100 Å²	100	95.3 Å²	95.3	47%	0.467	48%	0.484	S	S	.	.	H	α-helix	trans	-64.9	-42.6	172.3	-70.7	-179.8	175.6	0	0	111.8	P10 E11 Q17 I18 M33 Y38	P10-E14 PolarHBondContact O-N 3.38Å; E11-E14 PolarHBondContact O-N 3.3Å; E14-Q17 PolarHBondContact O-N 3.09Å; E14-I18 PolarHBondContact O-N 3.25Å; E14-M33 HydrophobicContact CB-CE 4.41Å; E14-M33 WeakPolarHBondContact O-CE 3.39Å; E14-Y38 HydrophobicContact CB-CD2 4.38Å; E14-Y38 HydrophobicContact CB-CE2 4.23Å
15	E	87.7	Confident	81.3	Confident	51 Å²	51	88.5 Å²	88.5	24%	0.238	46%	0.461	C	S	.	.	H	α-helix	trans	-59.5	-49.1	175.4	-172.8	-175.6	177.4	0	0	111.8	E11 Q17 I18 Q19	E11-E15 WeakPolarHBondContact O-CB 3.34Å; E11-E15 PolarHBondContact O-N 3.34Å; E15-Q17 VanDerWaalsContact C-N 3.27Å; E15-Q17 PolarHBondContact O-N 3.16Å; E15-I18 WeakPolarHBondContact O-CG2 3.38Å; E15-I18 PolarHBondContact O-N 3.43Å; E15-Q19 HydrophobicContact CG-CG 4.5Å; E15-Q19 WeakPolarHBondContact O-CB 3.37Å; E15-Q19 VanDerWaalsContact O-CG 3.26Å; E15-Q19 WeakPolarHBondContact O-CG 3.49Å; E15-Q19 PolarHBondContact O-N 3.16Å; E15-Q19 PolarHBondContact OE1-NE2 3.44Å
16	L	90.2	Very high	83.9	Confident	104 Å²	104	84 Å²	84	55%	0.545	44%	0.442	S	S	.	.	H	α-helix	trans	-60.6	-38.9	176.4	-97.6	77.6	0	0	0	111.8	L12 A20	L12-L16 HydrophobicContact CD1-CD1 4.16Å; L12-L16 HydrophobicContact CG-CD1 4.05Å; L12-L16 WeakPolarHBondContact O-CD1 3.45Å; L12-L16 PolarHBondContact O-N 3.11Å; L16-A20 VanDerWaalsContact O-CB 3.28Å; L16-A20 WeakPolarHBondContact O-CB 3.46Å; L16-A20 PolarHBondContact O-N 3.43Å
17	Q	94.3	Very high	86.5	Confident	105 Å²	105	79.6 Å²	79.6	49%	0.491	41%	0.412	S	S	.	.	H	α-helix	trans	-65.6	-48.4	-179.7	-177.5	177.6	-1.2	0	0	111.7	Q13 E14 E15 A20 A21 M33	Q13-Q17 WeakPolarHBondContact O-CB 3.29Å; Q13-Q17 PolarHBondContact O-N 3.48Å; E14-Q17 PolarHBondContact O-N 3.09Å; E15-Q17 VanDerWaalsContact C-N 3.27Å; E15-Q17 PolarHBondContact O-N 3.16Å; Q17-A20 PolarHBondContact O-N 3.3Å; Q17-A21 PolarHBondContact O-N 3.03Å; Q17-M33 HydrophobicContact CB-CE 4.16Å; Q17-M33 HydrophobicContact CB-SD 4.49Å; Q17-M33 HydrophobicContact CG-CE 4.17Å; Q17-M33 HydrophobicContact CG-SD 3.97Å
18	I	94.7	Very high	88.7	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-68.5	-38.3	-179.9	-162.6	162.6	0	0	0	111.3	E14 E15 A20 A21 V22 V30 M33 Y38 L50 F66	E14-I18 PolarHBondContact O-N 3.25Å; E15-I18 WeakPolarHBondContact O-CG2 3.38Å; E15-I18 PolarHBondContact O-N 3.43Å; I18-A20 VanDerWaalsContact C-N 3.33Å; I18-A20 PolarHBondContact O-N 3.44Å; I18-A21 WeakPolarHBondContact O-CB 3.44Å; I18-A21 PolarHBondContact O-N 2.98Å; I18-V22 WeakPolarHBondContact O-CG2 3.22Å; I18-V22 PolarHBondContact O-N 3.12Å; I18-V30 HydrophobicContact CG1-CG2 4.49Å; I18-M33 HydrophobicContact CB-CE 3.74Å; I18-M33 HydrophobicContact CB-SD 3.74Å; I18-M33 HydrophobicContact CD1-CB 4.1Å; I18-M33 HydrophobicContact CD1-SD 4.41Å; I18-M33 HydrophobicContact CG1-SD 4.08Å; I18-Y38 HydrophobicContact CD1-CD1 3.51Å; I18-Y38 HydrophobicContact CD1-CE1 3.74Å; I18-Y38 HydrophobicContact CD1-CG 3.99Å; I18-Y38 HydrophobicContact CG2-CE1 3.9Å; I18-Y38 HydrophobicContact CG2-CE2 4.01Å; I18-L50 HydrophobicContact CD1-CD1 3.6Å; I18-L50 HydrophobicContact CG1-CD1 3.95Å; I18-L50 HydrophobicContact CG2-CD1 4.08Å; I18-L50 HydrophobicContact CG2-CD2 4.1Å; I18-F66 HydrophobicContact CD1-CE1 4.41Å
19	Q	93.3	Very high	90.6	Very high	57 Å²	57	67.2 Å²	67.2	27%	0.266	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-40.3	175.3	-73.1	179.9	4.8	0	0	111.6	E15 V22 A23 L50	E15-Q19 HydrophobicContact CG-CG 4.5Å; E15-Q19 WeakPolarHBondContact O-CB 3.37Å; E15-Q19 VanDerWaalsContact O-CG 3.26Å; E15-Q19 WeakPolarHBondContact O-CG 3.49Å; E15-Q19 PolarHBondContact O-N 3.16Å; E15-Q19 PolarHBondContact OE1-NE2 3.44Å; Q19-V22 PolarHBondContact O-N 3.35Å; Q19-A23 VanDerWaalsContact O-CB 3.31Å; Q19-A23 WeakPolarHBondContact O-CB 3.45Å; Q19-A23 PolarHBondContact O-N 2.59Å; Q19-L50 HydrophobicContact CG-CD2 4.16Å
20	A	94.9	Very high	91.8	Very high	60 Å²	60	63.3 Å²	63.3	50%	0.496	35%	0.354	S	S	.	.	H	α-helix	trans	-64.2	-42.9	174.1	0	0	0	0	0	111.8	L16 Q17 I18 V22 A23 A24	L16-A20 VanDerWaalsContact O-CB 3.28Å; L16-A20 WeakPolarHBondContact O-CB 3.46Å; L16-A20 PolarHBondContact O-N 3.43Å; Q17-A20 PolarHBondContact O-N 3.3Å; I18-A20 VanDerWaalsContact C-N 3.33Å; I18-A20 PolarHBondContact O-N 3.44Å; A20-V22 PolarHBondContact O-N 2.91Å; A20-A23 PolarHBondContact O-N 3.26Å; A20-A24 WeakPolarHBondContact O-CB 3.31Å; A20-A24 PolarHBondContact O-N 2.92Å
21	A	97.1	Very high	92.8	Very high	7 Å²	7	62.9 Å²	62.9	6%	0.058	34%	0.34	C	S	.	.	H	α-helix	trans	-60.3	-45.8	175.4	0	0	0	0	0	111.5	Q17 I18 A23 A24 G25 D26 T29 V30	Q17-A21 PolarHBondContact O-N 3.03Å; I18-A21 WeakPolarHBondContact O-CB 3.44Å; I18-A21 PolarHBondContact O-N 2.98Å; A21-A23 PolarHBondContact O-N 3.32Å; A21-A24 PolarHBondContact O-N 3.07Å; A21-G25 PolarHBondContact O-N 3.05Å; A21-D26 HydrophobicContact CB-CB 4.33Å; A21-D26 PolarHBondContact O-N 3.41Å; A21-T29 HydrophobicContact CB-CG2 3.77Å; A21-V30 HydrophobicContact CB-CG2 3.91Å
22	V	96.2	Very high	93.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.2	-43.8	174.3	176.7	0	0	0	0	111.4	I18 Q19 A20 A24 G25 V30 L50 F53 S54 K59 C62 F66	I18-V22 WeakPolarHBondContact O-CG2 3.22Å; I18-V22 PolarHBondContact O-N 3.12Å; Q19-V22 PolarHBondContact O-N 3.35Å; A20-V22 PolarHBondContact O-N 2.91Å; V22-A24 VanDerWaalsContact C-N 3.28Å; V22-A24 PolarHBondContact O-N 3.01Å; V22-G25 PolarHBondContact O-N 3.24Å; V22-V30 HydrophobicContact CG2-CG2 3.72Å; V22-L50 HydrophobicContact CG2-CD2 4.4Å; V22-F53 HydrophobicContact CB-CD1 4.17Å; V22-F53 HydrophobicContact CB-CE1 4.18Å; V22-F53 HydrophobicContact CG1-CD1 3.58Å; V22-F53 HydrophobicContact CG1-CE1 3.91Å; V22-S54 VanDerWaalsContact CG1-OG 3.22Å; V22-S54 WeakPolarHBondContact CG1-OG 3.16Å; V22-K59 HydrophobicContact CG1-CB 4.29Å; V22-K59 HydrophobicContact CG1-CG 4.15Å; V22-K59 WeakPolarHBondContact O-CD 3.21Å; V22-K59 VanDerWaalsContact O-CE 3.22Å; V22-K59 WeakPolarHBondContact O-CE 3.33Å; V22-K59 WeakPolarHBondContact O-CG 3Å; V22-C62 HydrophobicContact CG1-CB 4.38Å; V22-F66 HydrophobicContact CG2-CE2 3.72Å; V22-F66 HydrophobicContact CG2-CZ 3.46Å; V22-F66 VanDerWaalsContact CG2-CZ 3.46Å
23	A	94.6	Very high	94.6	Very high	31 Å²	31	57.5 Å²	57.5	26%	0.256	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-38	178	0	0	0	0	0	112.2	Q19 A20 A21 G25 F53 K59	Q19-A23 VanDerWaalsContact O-CB 3.31Å; Q19-A23 WeakPolarHBondContact O-CB 3.45Å; Q19-A23 PolarHBondContact O-N 2.59Å; A20-A23 PolarHBondContact O-N 3.26Å; A21-A23 PolarHBondContact O-N 3.32Å; A23-G25 VanDerWaalsContact C-N 3.33Å; A23-F53 HydrophobicContact CB-CE1 4.14Å; A23-F53 HydrophobicContact CB-CZ 4.21Å; A23-K59 WeakPolarHBondContact O-CE 3.47Å; A23-K59 PolarHBondContact O-NZ 3.04Å
24	A	96.2	Very high	95.2	Very high	79 Å²	79	52.9 Å²	52.9	65%	0.653	29%	0.29	S	S	*	.	H	α-helix	trans	-73.8	-23.9	172.4	0	0	0	0	0	112.7	A20 A21 V22 D26	A20-A24 WeakPolarHBondContact O-CB 3.31Å; A20-A24 PolarHBondContact O-N 2.92Å; A21-A24 PolarHBondContact O-N 3.07Å; V22-A24 VanDerWaalsContact C-N 3.28Å; V22-A24 PolarHBondContact O-N 3.01Å; A24-D26 VanDerWaalsContact C-N 3.34Å; A24-D26 HydrophobicContact CB-CB 4.46Å
25	G	94.9	Very high	95.6	Very high	31 Å²	31	54.2 Å²	54.2	32%	0.32	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	23.7	-169.5	0	0	0	0	0	112.6	A21 V22 A23 V27	A21-G25 PolarHBondContact O-N 3.05Å; V22-G25 PolarHBondContact O-N 3.24Å; A23-G25 VanDerWaalsContact C-N 3.33Å; G25-V27 VanDerWaalsContact C-N 3.34Å; G25-V27 PolarHBondContact O-N 3.05Å
26	D	97.6	Very high	96	Very high	62 Å²	62	58.5 Å²	58.5	33%	0.332	32%	0.316	S	S	.	.			trans	-75.9	85.9	175.7	-177.8	-1	0	0	0	110.2	A21 A24 H28 T29 V30	A21-D26 HydrophobicContact CB-CB 4.33Å; A21-D26 PolarHBondContact O-N 3.41Å; A24-D26 VanDerWaalsContact C-N 3.34Å; A24-D26 HydrophobicContact CB-CB 4.46Å; D26-H28 PolarHBondContact O-N 3.5Å; D26-H28 WeakPolarHBondContact OD1-CB 3.45Å; D26-H28 PolarHBondContact OD1-N 3.21Å; D26-H28 VanDerWaalsContact OD1-N 3.12Å; D26-T29 VanDerWaalsContact CG-OG1 3.31Å; D26-T29 PolarHBondContact OD1-N 2.82Å; D26-T29 WeakPolarHBondContact OD2-CB 3.47Å; D26-T29 PolarHBondContact OD2-OG1 3.35Å; D26-V30 VanDerWaalsContact O-CG2 3.3Å; D26-V30 WeakPolarHBondContact O-CG2 3.02Å; D26-V30 PolarHBondContact O-N 3.27Å; D26-V30 VanDerWaalsContact O-N 3.12Å
27	V	97.6	Very high	96.1	Very high	33 Å²	33	56.7 Å²	56.7	20%	0.2	32%	0.322	C	S	.	.	H	α-helix	trans	-63.9	-29.3	179.6	-177.2	0	0	0	0	111.8	G25 R31 R61 V65	G25-V27 VanDerWaalsContact C-N 3.34Å; G25-V27 PolarHBondContact O-N 3.05Å; V27-R31 VanDerWaalsContact O-CB 3.31Å; V27-R31 WeakPolarHBondContact O-CB 3.5Å; V27-R31 PolarHBondContact O-N 2.92Å; V27-R61 HydrophobicContact CG2-CB 3.5Å; V27-R61 VanDerWaalsContact CG2-CB 3.5Å; V27-V65 HydrophobicContact CG1-CG2 3.52Å
28	H	97.7	Very high	96.1	Very high	143 Å²	143	53.8 Å²	53.8	66%	0.662	31%	0.308	S	S	*	.	H	α-helix	trans	-68.4	-49.8	-178.8	178.7	72.5	0	0	0	110.4	D26 V30 R31 K32	D26-H28 PolarHBondContact O-N 3.5Å; D26-H28 WeakPolarHBondContact OD1-CB 3.45Å; D26-H28 PolarHBondContact OD1-N 3.21Å; D26-H28 VanDerWaalsContact OD1-N 3.12Å; H28-V30 PolarHBondContact O-N 3.19Å; H28-R31 PolarHBondContact O-N 3.45Å; H28-K32 WeakPolarHBondContact O-CB 3.34Å; H28-K32 PolarHBondContact O-N 3.15Å
29	T	97.5	Very high	96.1	Very high	34 Å²	34	57 Å²	57	21%	0.209	33%	0.329	C	S	.	.	H	α-helix	trans	-62.6	-43.3	175.8	-63.8	0	0	0	0	111.3	A21 D26 R31 K32 M33	A21-T29 HydrophobicContact CB-CG2 3.77Å; D26-T29 VanDerWaalsContact CG-OG1 3.31Å; D26-T29 PolarHBondContact OD1-N 2.82Å; D26-T29 WeakPolarHBondContact OD2-CB 3.47Å; D26-T29 PolarHBondContact OD2-OG1 3.35Å; T29-R31 PolarHBondContact O-N 3.3Å; T29-K32 PolarHBondContact O-N 3.31Å; T29-M33 HydrophobicContact CG2-CG 4.37Å; T29-M33 HydrophobicContact CG2-SD 3.99Å; T29-M33 VanDerWaalsContact O-CG 3.31Å; T29-M33 WeakPolarHBondContact O-CG 3.5Å; T29-M33 PolarHBondContact O-N 3.34Å
30	V	97.9	Very high	96.1	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-56.5	-52	176	169.2	0	0	0	0	111.3	I18 A21 V22 D26 H28 K32 M33 L34 V65 F66	I18-V30 HydrophobicContact CG1-CG2 4.49Å; A21-V30 HydrophobicContact CB-CG2 3.91Å; V22-V30 HydrophobicContact CG2-CG2 3.72Å; D26-V30 VanDerWaalsContact O-CG2 3.3Å; D26-V30 WeakPolarHBondContact O-CG2 3.02Å; D26-V30 PolarHBondContact O-N 3.27Å; D26-V30 VanDerWaalsContact O-N 3.12Å; H28-V30 PolarHBondContact O-N 3.19Å; V30-K32 PolarHBondContact O-N 2.94Å; V30-M33 PolarHBondContact O-N 2.97Å; V30-L34 HydrophobicContact CG1-CD1 4.13Å; V30-L34 WeakPolarHBondContact O-CG 3.31Å; V30-L34 PolarHBondContact O-N 3.17Å; V30-L34 VanDerWaalsContact O-N 3.14Å; V30-V65 HydrophobicContact CG1-CG1 4.2Å; V30-F66 HydrophobicContact CG1-CD1 4.29Å; V30-F66 HydrophobicContact CG1-CE1 3.46Å; V30-F66 VanDerWaalsContact CG1-CE1 3.46Å; V30-F66 HydrophobicContact CG1-CE2 4.36Å; V30-F66 HydrophobicContact CG1-CZ 3.49Å; V30-F66 VanDerWaalsContact CG1-CZ 3.49Å; V30-F66 HydrophobicContact CG2-CZ 4.42Å
31	R	98.1	Very high	96.1	Very high	82 Å²	82	54.9 Å²	54.9	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-60.1	-47.3	-179.8	-176	-179.5	-63	-80.1	-0.3	111.4	V27 H28 T29 M33 L34 E35 V65 E68	V27-R31 VanDerWaalsContact O-CB 3.31Å; V27-R31 WeakPolarHBondContact O-CB 3.5Å; V27-R31 PolarHBondContact O-N 2.92Å; H28-R31 PolarHBondContact O-N 3.45Å; T29-R31 PolarHBondContact O-N 3.3Å; R31-M33 VanDerWaalsContact C-N 3.3Å; R31-M33 PolarHBondContact O-N 3.43Å; R31-L34 PolarHBondContact O-N 3.26Å; R31-E35 WeakPolarHBondContact CD-OE1 3.44Å; R31-E35 HydrophobicContact CG-CG 4.36Å; R31-E35 VanDerWaalsContact CG-OE1 3.29Å; R31-E35 WeakPolarHBondContact CG-OE1 3.02Å; R31-E35 WeakPolarHBondContact O-CG 3.36Å; R31-E35 PolarHBondContact O-N 2.88Å; R31-V65 HydrophobicContact CB-CG1 4.16Å; R31-V65 VanDerWaalsContact NH2-CG2 3.31Å; R31-E68 IonicContact CZ-OE2 3.81Å; R31-E68 IonicContact NH1-OE2 3.93Å; R31-E68 PolarHBondContact NH1-OE2 2.95Å; R31-E68 IonicContact NH2-OE2 3.09Å; R31-E68 PolarHBondContact NH2-OE2 3.46Å; R31-E68 VanDerWaalsContact NH2-OE2 3.09Å
32	K	97.6	Very high	95.9	Very high	104 Å²	104	56.1 Å²	56.1	45%	0.452	33%	0.326	S	S	.	.	H	α-helix	trans	-57	-43	178.4	-177.5	-178.5	177.5	-177.4	0	112.1	H28 T29 V30 E35 Q36	H28-K32 WeakPolarHBondContact O-CB 3.34Å; H28-K32 PolarHBondContact O-N 3.15Å; T29-K32 PolarHBondContact O-N 3.31Å; V30-K32 PolarHBondContact O-N 2.94Å; K32-E35 PolarHBondContact O-N 3.38Å; K32-Q36 WeakPolarHBondContact O-CB 3.31Å; K32-Q36 VanDerWaalsContact O-CG 3.22Å; K32-Q36 WeakPolarHBondContact O-CG 3.29Å; K32-Q36 PolarHBondContact O-N 3.49Å
33	M	97	Very high	95.8	Very high	14 Å²	14	62 Å²	62	7%	0.069	35%	0.348	C	S	.	.	H	α-helix	trans	-66.9	-39.3	179.6	-69.7	-178.6	76.2	0	0	112.1	E14 Q17 I18 T29 V30 R31 Q36 G37 Y38	E14-M33 HydrophobicContact CB-CE 4.41Å; E14-M33 WeakPolarHBondContact O-CE 3.39Å; Q17-M33 HydrophobicContact CB-CE 4.16Å; Q17-M33 HydrophobicContact CB-SD 4.49Å; Q17-M33 HydrophobicContact CG-CE 4.17Å; Q17-M33 HydrophobicContact CG-SD 3.97Å; I18-M33 HydrophobicContact CB-CE 3.74Å; I18-M33 HydrophobicContact CB-SD 3.74Å; I18-M33 HydrophobicContact CD1-CB 4.1Å; I18-M33 HydrophobicContact CD1-SD 4.41Å; I18-M33 HydrophobicContact CG1-SD 4.08Å; T29-M33 HydrophobicContact CG2-CG 4.37Å; T29-M33 HydrophobicContact CG2-SD 3.99Å; T29-M33 VanDerWaalsContact O-CG 3.31Å; T29-M33 WeakPolarHBondContact O-CG 3.5Å; T29-M33 PolarHBondContact O-N 3.34Å; V30-M33 PolarHBondContact O-N 2.97Å; R31-M33 VanDerWaalsContact C-N 3.3Å; R31-M33 PolarHBondContact O-N 3.43Å; M33-Q36 PolarHBondContact O-N 2.86Å; M33-G37 PolarHBondContact O-N 3.29Å; M33-Y38 HydrophobicContact CE-CD2 4.4Å; M33-Y38 WeakPolarHBondContact O-CB 3.35Å; M33-Y38 PolarHBondContact O-N 2.99Å
34	L	96.5	Very high	95.7	Very high	13 Å²	13	62.7 Å²	62.7	7%	0.068	35%	0.348	C	S	.	.	H	α-helix	trans	-65.7	-42.7	175.2	-63.1	171.7	0	0	0	111.7	V30 R31 Q36 G37 Y38 P40 V65 F66 H69	V30-L34 HydrophobicContact CG1-CD1 4.13Å; V30-L34 WeakPolarHBondContact O-CG 3.31Å; V30-L34 PolarHBondContact O-N 3.17Å; V30-L34 VanDerWaalsContact O-N 3.14Å; R31-L34 PolarHBondContact O-N 3.26Å; L34-Q36 PolarHBondContact O-N 2.61Å; L34-G37 PolarHBondContact O-N 3.47Å; L34-Y38 HydrophobicContact CD2-CD1 4.3Å; L34-Y38 WeakPolarHBondContact CD2-O 3.33Å; L34-P40 HydrophobicContact CD2-CB 3.9Å; L34-P40 HydrophobicContact CD2-CG 4.47Å; L34-V65 HydrophobicContact CD1-CG1 3.74Å; L34-F66 HydrophobicContact CD1-CD1 3.78Å; L34-F66 HydrophobicContact CD1-CE1 3.97Å; L34-F66 HydrophobicContact CD2-CD1 4.3Å; L34-F66 HydrophobicContact CD2-CE1 4.26Å; L34-F66 HydrophobicContact CG-CE1 4.46Å; L34-H69 HydrophobicContact CB-CB 4.49Å; L34-H69 HydrophobicContact CD1-CB 4.01Å
35	E	96.4	Very high	95.6	Very high	129 Å²	129	63.5 Å²	63.5	60%	0.603	36%	0.355	S	S	*	.	H	α-helix	trans	-62.2	-28.3	174.5	-71.6	168.8	177	0	0	112.3	R31 K32 G37	R31-E35 WeakPolarHBondContact CD-OE1 3.44Å; R31-E35 HydrophobicContact CG-CG 4.36Å; R31-E35 VanDerWaalsContact CG-OE1 3.29Å; R31-E35 WeakPolarHBondContact CG-OE1 3.02Å; R31-E35 WeakPolarHBondContact O-CG 3.36Å; R31-E35 PolarHBondContact O-N 2.88Å; K32-E35 PolarHBondContact O-N 3.38Å; E35-G37 PolarHBondContact O-N 3.14Å
36	Q	95.6	Very high	95.6	Very high	141 Å²	141	65.7 Å²	65.7	66%	0.659	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	3.4	174	-72.1	176.5	-25.2	0	0	113.7	K32 M33 L34	K32-Q36 WeakPolarHBondContact O-CB 3.31Å; K32-Q36 VanDerWaalsContact O-CG 3.22Å; K32-Q36 WeakPolarHBondContact O-CG 3.29Å; K32-Q36 PolarHBondContact O-N 3.49Å; M33-Q36 PolarHBondContact O-N 2.86Å; L34-Q36 PolarHBondContact O-N 2.61Å
37	G	93.4	Very high	95.5	Very high	65 Å²	65	62.8 Å²	62.8	67%	0.67	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.5	7.8	174.5	0	0	0	0	0	115	M33 L34 E35 S39	M33-G37 PolarHBondContact O-N 3.29Å; L34-G37 PolarHBondContact O-N 3.47Å; E35-G37 PolarHBondContact O-N 3.14Å; G37-S39 PolarHBondContact O-N 3.31Å
38	Y	94.4	Very high	95.5	Very high	45 Å²	45	64.1 Å²	64.1	18%	0.176	35%	0.345	C	S	.	.			trans	-61.8	126.8	172.2	-171.4	-82.5	0	0	0	109.9	E14 I18 M33 L34 P40 L50	E14-Y38 HydrophobicContact CB-CD2 4.38Å; E14-Y38 HydrophobicContact CB-CE2 4.23Å; I18-Y38 HydrophobicContact CD1-CD1 3.51Å; I18-Y38 HydrophobicContact CD1-CE1 3.74Å; I18-Y38 HydrophobicContact CD1-CG 3.99Å; I18-Y38 HydrophobicContact CG2-CE1 3.9Å; I18-Y38 HydrophobicContact CG2-CE2 4.01Å; M33-Y38 HydrophobicContact CE-CD2 4.4Å; M33-Y38 WeakPolarHBondContact O-CB 3.35Å; M33-Y38 PolarHBondContact O-N 2.99Å; L34-Y38 HydrophobicContact CD2-CD1 4.3Å; L34-Y38 WeakPolarHBondContact CD2-O 3.33Å; Y38-P40 WeakPolarHBondContact O-CD 3.38Å; Y38-L50 HydrophobicContact CD1-CD1 4.41Å; Y38-L50 HydrophobicContact CE1-CD1 3.76Å
39	S	94.3	Very high	95.5	Very high	66 Å²	66	57.6 Å²	57.6	46%	0.462	32%	0.315	S	S	.	.			trans	-73	122.4	-179	178.5	0	0	0	0	111.5	G37 N41 G42	G37-S39 PolarHBondContact O-N 3.31Å; S39-N41 PolarHBondContact O-N 3.43Å; S39-N41 PolarHBondContact OG-N 3.38Å; S39-G42 PolarHBondContact O-N 3.1Å
40	P	93.3	Very high	95.5	Very high	16 Å²	16	56.4 Å²	56.4	10%	0.104	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.8	176.9	29.3	-34.5	0	0	0	113.3	L34 Y38 F66 H69 A71	L34-P40 HydrophobicContact CD2-CB 3.9Å; L34-P40 HydrophobicContact CD2-CG 4.47Å; Y38-P40 WeakPolarHBondContact O-CD 3.38Å; P40-F66 HydrophobicContact CB-CD1 4.34Å; P40-H69 WeakPolarHBondContact CG-O 3.22Å; P40-A71 HydrophobicContact CB-CB 3.89Å; P40-A71 HydrophobicContact CG-CB 4.45Å
41	N	95.1	Very high	95.4	Very high	58 Å²	58	56.5 Å²	56.5	31%	0.31	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	7.8	-177.2	-65.6	-41.5	0	0	0	113.3	S39 G70 A71 D72	S39-N41 PolarHBondContact O-N 3.43Å; S39-N41 PolarHBondContact OG-N 3.38Å; N41-G70 PolarHBondContact ND2-O 3.32Å; N41-A71 WeakPolarHBondContact OD1-CA 3.32Å; N41-D72 PolarHBondContact OD1-N 3.38Å
42	G	93.1	Very high	95.5	Very high	33 Å²	33	52.6 Å²	52.6	34%	0.34	29%	0.294	S	S	.	.			trans	-54	142.9	169.8	0	0	0	0	0	111.3	S39 T49	S39-G42 PolarHBondContact O-N 3.1Å; G42-T49 WeakPolarHBondContact O-CA 3.31Å
43	R	93.9	Very high	95.4	Very high	122 Å²	122	49.3 Å²	49.3	46%	0.46	28%	0.279	S	S	.	.			trans	-123.2	134.5	-177.3	-64.6	177.2	79.2	-164.5	1.6	110.1	G47 W48 T49 K76	R43-G47 PolarHBondContact NE-O 2.97Å; R43-W48 VanDerWaalsContact CA-O 3.32Å; R43-W48 WeakPolarHBondContact CA-O 3.31Å; R43-T49 HydrophobicContact CG-CG2 3.88Å; R43-K76 PolarHBondContact NH2-O 3.4Å
44	D	92.6	Very high	95.5	Very high	46 Å²	46	48.6 Å²	48.6	25%	0.246	28%	0.276	C	S	.	.			trans	-75.3	-177.9	170.7	79	0.4	0	0	0	111.6	N46 G47 W48	D44-N46 PolarHBondContact O-N 2.95Å; D44-N46 VanDerWaalsContact O-N 3.13Å; D44-N46 WeakPolarHBondContact OD1-CA 2.99Å; D44-N46 WeakPolarHBondContact OD1-CB 3.28Å; D44-N46 PolarHBondContact OD1-N 3.21Å; D44-G47 PolarHBondContact O-N 3.42Å; D44-G47 PolarHBondContact OD1-N 2.64Å; D44-G47 VanDerWaalsContact OD1-N 3.08Å; D44-W48 PolarHBondContact N-O 3.15Å; D44-W48 WeakPolarHBondContact OD1-CB 3.37Å; D44-W48 PolarHBondContact OD1-N 3.2Å
45	A	93.1	Very high	95.5	Very high	97 Å²	97	48 Å²	48	80%	0.802	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.2	179.8	0	0	0	0	0	114.4
46	N	94.9	Very high	95.6	Very high	76 Å²	76	42.5 Å²	42.5	41%	0.406	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	4.7	175.8	-59.7	-49.6	0	0	0	112	D44 W48 L78 I79	D44-N46 PolarHBondContact O-N 2.95Å; D44-N46 VanDerWaalsContact O-N 3.13Å; D44-N46 WeakPolarHBondContact OD1-CA 2.99Å; D44-N46 WeakPolarHBondContact OD1-CB 3.28Å; D44-N46 PolarHBondContact OD1-N 3.21Å; N46-W48 VanDerWaalsContact C-N 3.32Å; N46-L78 PolarHBondContact O-N 3.04Å; N46-I79 HydrophobicContact CB-CG1 4.15Å
47	G	96.4	Very high	95.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.01	24%	0.243	C	C	.	.			trans	78.6	9.9	-176.4	0	0	0	0	0	114.7	R43 D44	R43-G47 PolarHBondContact NE-O 2.97Å; D44-G47 PolarHBondContact O-N 3.42Å; D44-G47 PolarHBondContact OD1-N 2.64Å; D44-G47 VanDerWaalsContact OD1-N 3.08Å
48	W	96.9	Very high	95.8	Very high	62 Å²	62	40.5 Å²	40.5	24%	0.235	22%	0.224	C	C	.	.			trans	-74.1	133.1	-179.9	-80	37.2	0	0	0	111.1	R43 D44 N46 H52 F53 A56 Y87	R43-W48 VanDerWaalsContact CA-O 3.32Å; R43-W48 WeakPolarHBondContact CA-O 3.31Å; D44-W48 PolarHBondContact N-O 3.15Å; D44-W48 WeakPolarHBondContact OD1-CB 3.37Å; D44-W48 PolarHBondContact OD1-N 3.2Å; N46-W48 VanDerWaalsContact C-N 3.32Å; W48-H52 HydrophobicContact CB-CB 4.2Å; W48-H52 HydrophobicContact CD2-CB 3.94Å; W48-H52 HydrophobicContact CE3-CB 3.92Å; W48-H52 HydrophobicContact CG-CB 4.08Å; W48-F53 HydrophobicContact CE3-CB 4.29Å; W48-F53 HydrophobicContact CE3-CD2 4.49Å; W48-F53 HydrophobicContact CZ3-CD2 4.36Å; W48-A56 HydrophobicContact CH2-CB 4.38Å; W48-A56 HydrophobicContact CZ3-CB 4.44Å; W48-Y87 AromaticContact CE2-CZ 3.77Å; W48-Y87 HydrophobicContact CH2-CD1 4.38Å; W48-Y87 AromaticContact CH2-CE1 3.96Å; W48-Y87 HydrophobicContact CH2-CE1 3.96Å; W48-Y87 HydrophobicContact CZ2-CD1 4.32Å; W48-Y87 AromaticContact CZ2-CE1 3.51Å; W48-Y87 HydrophobicContact CZ2-CE1 3.51Å; W48-Y87 HydrophobicContact CZ2-CE2 4.09Å; W48-Y87 AromaticContact CZ2-CZ 3.35Å; W48-Y87 VanDerWaalsContact CZ2-OH 3.24Å; W48-Y87 WeakPolarHBondContact CZ2-OH 3.33Å; W48-Y87 AromaticContact NE1-CZ 3.92Å; W48-Y87 PolarHBondContact NE1-OH 2.88Å
49	T	97.1	Very high	96	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.031	23%	0.226	C	C	.	.			trans	-94.3	170	167.2	68.2	0	0	0	0	111.1	G42 R43 L51 H52 F53 V75	G42-T49 WeakPolarHBondContact O-CA 3.31Å; R43-T49 HydrophobicContact CG-CG2 3.88Å; T49-L51 PolarHBondContact O-N 2.82Å; T49-L51 PolarHBondContact OG1-N 3.47Å; T49-H52 PolarHBondContact N-ND1 3Å; T49-H52 VanDerWaalsContact N-ND1 3.17Å; T49-H52 WeakPolarHBondContact O-CB 3.11Å; T49-H52 PolarHBondContact O-N 2.8Å; T49-H52 PolarHBondContact OG1-ND1 2.63Å; T49-F53 PolarHBondContact O-N 3.39Å; T49-V75 HydrophobicContact CG2-CB 4.02Å; T49-V75 HydrophobicContact CG2-CG1 3.7Å; T49-V75 HydrophobicContact CG2-CG2 4.27Å
50	L	97.1	Very high	96.1	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-25.1	173.3	-66.7	174	0	0	0	113	I18 Q19 V22 Y38 S54 F66	I18-L50 HydrophobicContact CD1-CD1 3.6Å; I18-L50 HydrophobicContact CG1-CD1 3.95Å; I18-L50 HydrophobicContact CG2-CD1 4.08Å; I18-L50 HydrophobicContact CG2-CD2 4.1Å; Q19-L50 HydrophobicContact CG-CD2 4.16Å; V22-L50 HydrophobicContact CG2-CD2 4.4Å; Y38-L50 HydrophobicContact CD1-CD1 4.41Å; Y38-L50 HydrophobicContact CE1-CD1 3.76Å; L50-S54 WeakPolarHBondContact O-CB 3.37Å; L50-S54 PolarHBondContact O-N 3.21Å; L50-S54 PolarHBondContact O-OG 3.42Å; L50-F66 HydrophobicContact CB-CD1 4.37Å; L50-F66 HydrophobicContact CB-CD2 4.15Å; L50-F66 HydrophobicContact CB-CE1 3.98Å; L50-F66 HydrophobicContact CB-CE2 3.74Å; L50-F66 HydrophobicContact CB-CG 4.48Å; L50-F66 HydrophobicContact CB-CZ 3.66Å; L50-F66 HydrophobicContact CD1-CD1 4.37Å; L50-F66 HydrophobicContact CD1-CE1 3.52Å; L50-F66 HydrophobicContact CD1-CZ 3.65Å; L50-F66 HydrophobicContact CG-CE1 4.38Å; L50-F66 HydrophobicContact CG-CZ 4.16Å
51	L	97.8	Very high	96.4	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-42.8	171.1	-74.7	179.9	0	0	0	112.1	T49 S54 A55 V63 F66 L67 A71 P73 A84	T49-L51 PolarHBondContact O-N 2.82Å; T49-L51 PolarHBondContact OG1-N 3.47Å; L51-S54 PolarHBondContact O-N 3.39Å; L51-A55 WeakPolarHBondContact O-CB 3.28Å; L51-A55 PolarHBondContact O-N 3.17Å; L51-V63 HydrophobicContact CD2-CG1 4.08Å; L51-F66 HydrophobicContact CD2-CB 3.69Å; L51-F66 HydrophobicContact CD2-CD2 4.41Å; L51-F66 HydrophobicContact CD2-CG 4.48Å; L51-F66 HydrophobicContact CG-CB 4.29Å; L51-L67 HydrophobicContact CD1-CD2 4.07Å; L51-L67 HydrophobicContact CD2-CD2 4.29Å; L51-L67 HydrophobicContact CD2-CG 4.32Å; L51-A71 HydrophobicContact CD1-CB 3.55Å; L51-A71 HydrophobicContact CD2-CB 4.23Å; L51-A71 HydrophobicContact CG-CB 3.76Å; L51-P73 HydrophobicContact CD1-CB 3.99Å; L51-A84 HydrophobicContact CB-CB 3.88Å
52	H	98.3	Very high	96.5	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-51.3	175.6	-67.4	82.9	0	0	0	110.7	W48 T49 S54 A55 A56 V75 F82 A84 Y87	W48-H52 HydrophobicContact CB-CB 4.2Å; W48-H52 HydrophobicContact CD2-CB 3.94Å; W48-H52 HydrophobicContact CE3-CB 3.92Å; W48-H52 HydrophobicContact CG-CB 4.08Å; T49-H52 PolarHBondContact N-ND1 3Å; T49-H52 VanDerWaalsContact N-ND1 3.17Å; T49-H52 WeakPolarHBondContact O-CB 3.11Å; T49-H52 PolarHBondContact O-N 2.8Å; T49-H52 PolarHBondContact OG1-ND1 2.63Å; H52-S54 PolarHBondContact O-N 3.3Å; H52-A55 PolarHBondContact O-N 3.27Å; H52-A56 WeakPolarHBondContact O-CB 3.21Å; H52-A56 PolarHBondContact O-N 3.19Å; H52-V75 PolarHBondContact CE1-O 3.12Å; H52-V75 PolarHBondContact NE2-O 3.34Å; H52-V75 VanDerWaalsContact NE2-O 3.16Å; H52-F82 PolarHBondContact NE2-O 3.12Å; H52-A84 PolarHBondContact NE2-N 2.72Å; H52-Y87 HydrophobicContact CB-CD2 4.49Å; H52-Y87 AromaticContact CD2-CD2 3.7Å; H52-Y87 AromaticContact CD2-CE2 3.69Å
53	F	96.9	Very high	96.8	Very high	34 Å²	34	44.5 Å²	44.5	15%	0.149	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-45.4	-179.5	-171.8	-96.8	0	0	0	112.2	V22 A23 W48 T49 R57	V22-F53 HydrophobicContact CB-CD1 4.17Å; V22-F53 HydrophobicContact CB-CE1 4.18Å; V22-F53 HydrophobicContact CG1-CD1 3.58Å; V22-F53 HydrophobicContact CG1-CE1 3.91Å; A23-F53 HydrophobicContact CB-CE1 4.14Å; A23-F53 HydrophobicContact CB-CZ 4.21Å; W48-F53 HydrophobicContact CE3-CB 4.29Å; W48-F53 HydrophobicContact CE3-CD2 4.49Å; W48-F53 HydrophobicContact CZ3-CD2 4.36Å; T49-F53 PolarHBondContact O-N 3.39Å; F53-R57 WeakPolarHBondContact O-CB 3.47Å; F53-R57 WeakPolarHBondContact O-CG 3.33Å; F53-R57 PolarHBondContact O-N 3.4Å
54	S	97.8	Very high	97	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.7	-40.6	179.3	-59.4	0	0	0	0	112.4	V22 L50 L51 H52 R57 G58 K59 V63 F66	V22-S54 VanDerWaalsContact CG1-OG 3.22Å; V22-S54 WeakPolarHBondContact CG1-OG 3.16Å; L50-S54 WeakPolarHBondContact O-CB 3.37Å; L50-S54 PolarHBondContact O-N 3.21Å; L50-S54 PolarHBondContact O-OG 3.42Å; L51-S54 PolarHBondContact O-N 3.39Å; H52-S54 PolarHBondContact O-N 3.3Å; S54-R57 PolarHBondContact O-N 3.4Å; S54-G58 PolarHBondContact O-N 3.17Å; S54-K59 PolarHBondContact O-N 3.39Å; S54-V63 VanDerWaalsContact CB-CG2 3.48Å; S54-F66 VanDerWaalsContact OG-CE2 3.32Å; S54-F66 WeakPolarHBondContact OG-CE2 3.49Å
55	A	98.1	Very high	97.2	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-46.6	177.2	0	0	0	0	0	111.6	L51 H52 R57 G58 A84 A88 R93 I96	L51-A55 WeakPolarHBondContact O-CB 3.28Å; L51-A55 PolarHBondContact O-N 3.17Å; H52-A55 PolarHBondContact O-N 3.27Å; A55-R57 PolarHBondContact O-N 2.84Å; A55-G58 PolarHBondContact O-N 3.22Å; A55-A84 HydrophobicContact CB-CB 4.14Å; A55-A84 VanDerWaalsContact CB-O 3.29Å; A55-A84 WeakPolarHBondContact CB-O 3.46Å; A55-A88 HydrophobicContact CB-CB 4.27Å; A55-R93 WeakPolarHBondContact O-CG 3.5Å; A55-I96 HydrophobicContact CB-CG2 4.08Å
56	A	97.3	Very high	97.5	Very high	13 Å²	13	37.5 Å²	37.5	11%	0.107	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-44.9	176.2	0	0	0	0	0	111.8	W48 H52 G58 Y87	W48-A56 HydrophobicContact CH2-CB 4.38Å; W48-A56 HydrophobicContact CZ3-CB 4.44Å; H52-A56 WeakPolarHBondContact O-CB 3.21Å; H52-A56 PolarHBondContact O-N 3.19Å; A56-G58 VanDerWaalsContact C-N 3.35Å; A56-G58 PolarHBondContact O-N 2.92Å; A56-Y87 HydrophobicContact CB-CD1 4.35Å
57	R	96.3	Very high	97.6	Very high	136 Å²	136	35.7 Å²	35.7	51%	0.513	16%	0.156	S	C	.	.	H	α-helix	trans	-83.4	-2.1	-176.9	-66.6	-165.6	175.1	-155.2	1.3	115.3	F53 S54 A55 K59	F53-R57 WeakPolarHBondContact O-CB 3.47Å; F53-R57 WeakPolarHBondContact O-CG 3.33Å; F53-R57 PolarHBondContact O-N 3.4Å; S54-R57 PolarHBondContact O-N 3.4Å; A55-R57 PolarHBondContact O-N 2.84Å; R57-K59 HydrophobicContact CB-CG 3.99Å
58	G	97.4	Very high	97.6	Very high	27 Å²	27	40.8 Å²	40.8	28%	0.278	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	27.9	178.5	0	0	0	0	0	114.1	S54 A55 A56 E60	S54-G58 PolarHBondContact O-N 3.17Å; A55-G58 PolarHBondContact O-N 3.22Å; A56-G58 VanDerWaalsContact C-N 3.35Å; A56-G58 PolarHBondContact O-N 2.92Å; G58-E60 VanDerWaalsContact C-N 3.29Å; G58-E60 PolarHBondContact O-N 3.28Å
59	K	98	Very high	97.6	Very high	53 Å²	53	40.7 Å²	40.7	23%	0.23	18%	0.181	C	C	.	.			trans	-85.8	67.3	-177.9	-58	-62.6	-174.4	173	0	111.5	V22 A23 S54 R57 R61 C62 V63	V22-K59 HydrophobicContact CG1-CB 4.29Å; V22-K59 HydrophobicContact CG1-CG 4.15Å; V22-K59 WeakPolarHBondContact O-CD 3.21Å; V22-K59 VanDerWaalsContact O-CE 3.22Å; V22-K59 WeakPolarHBondContact O-CE 3.33Å; V22-K59 WeakPolarHBondContact O-CG 3Å; A23-K59 WeakPolarHBondContact O-CE 3.47Å; A23-K59 PolarHBondContact O-NZ 3.04Å; S54-K59 PolarHBondContact O-N 3.39Å; R57-K59 HydrophobicContact CB-CG 3.99Å; K59-R61 PolarHBondContact O-N 2.86Å; K59-C62 HydrophobicContact CB-CB 4.04Å; K59-C62 PolarHBondContact O-N 3.48Å; K59-V63 PolarHBondContact O-N 3.1Å
60	E	97.9	Very high	97.5	Very high	56 Å²	56	42.3 Å²	42.3	26%	0.262	20%	0.199	S	C	.	.	H	α-helix	trans	-52.7	-46.5	-173.1	-173.9	-169.8	137	0	0	113.8	G58 C62 V63 R64 R95 I96 L99	G58-E60 VanDerWaalsContact C-N 3.29Å; G58-E60 PolarHBondContact O-N 3.28Å; E60-C62 VanDerWaalsContact C-N 3.32Å; E60-C62 PolarHBondContact O-N 3.05Å; E60-V63 PolarHBondContact O-N 2.99Å; E60-R64 PolarHBondContact O-N 3.12Å; E60-R64 VanDerWaalsContact O-N 3.07Å; E60-R95 HydrophobicContact CG-CB 4.3Å; E60-R95 WeakPolarHBondContact OE2-CB 3.19Å; E60-R95 WeakPolarHBondContact OE2-CD 3.18Å; E60-I96 HydrophobicContact CB-CD1 4.45Å; E60-I96 HydrophobicContact CB-CG1 3.96Å; E60-I96 HydrophobicContact CG-CG1 4.23Å; E60-L99 HydrophobicContact CG-CD1 3.76Å
61	R	98.1	Very high	97.5	Very high	192 Å²	192	41.9 Å²	41.9	73%	0.725	20%	0.197	S	C	*	.	H	α-helix	trans	-65.8	-35.5	179.6	-64.6	-175.9	178.2	168.7	-1.6	112.4	V27 K59 R64 V65	V27-R61 HydrophobicContact CG2-CB 3.5Å; V27-R61 VanDerWaalsContact CG2-CB 3.5Å; K59-R61 PolarHBondContact O-N 2.86Å; R61-R64 PolarHBondContact O-N 3.29Å; R61-V65 WeakPolarHBondContact O-CG2 3.42Å; R61-V65 PolarHBondContact O-N 2.87Å; R61-V65 VanDerWaalsContact O-N 3.16Å
62	C	98.1	Very high	97.5	Very high	1 Å²	1	44 Å²	44	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-69.3	-42.3	176.3	-54.9	0	0	0	0	110.7	V22 K59 E60 R64 V65 F66	V22-C62 HydrophobicContact CG1-CB 4.38Å; K59-C62 HydrophobicContact CB-CB 4.04Å; K59-C62 PolarHBondContact O-N 3.48Å; E60-C62 VanDerWaalsContact C-N 3.32Å; E60-C62 PolarHBondContact O-N 3.05Å; C62-R64 VanDerWaalsContact C-N 3.28Å; C62-R64 PolarHBondContact O-N 3.39Å; C62-V65 PolarHBondContact O-N 2.95Å; C62-V65 VanDerWaalsContact O-N 3.15Å; C62-F66 HydrophobicContact CB-CD2 4.28Å; C62-F66 HydrophobicContact CB-CE2 3.82Å; C62-F66 WeakPolarHBondContact O-CD2 3.2Å; C62-F66 WeakPolarHBondContact O-CG 3.5Å; C62-F66 PolarHBondContact O-N 3.49Å
63	V	98.2	Very high	97.5	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-53.1	-47.5	172.7	172.7	0	0	0	0	111	L51 S54 K59 E60 V65 F66 L67 I96 L99	L51-V63 HydrophobicContact CD2-CG1 4.08Å; S54-V63 VanDerWaalsContact CB-CG2 3.48Å; K59-V63 PolarHBondContact O-N 3.1Å; E60-V63 PolarHBondContact O-N 2.99Å; V63-V65 PolarHBondContact O-N 3.29Å; V63-F66 PolarHBondContact O-N 3.44Å; V63-L67 HydrophobicContact CG1-CD1 3.9Å; V63-L67 HydrophobicContact CG1-CG 4.35Å; V63-L67 WeakPolarHBondContact O-CG 3.3Å; V63-L67 PolarHBondContact O-N 3.34Å; V63-I96 HydrophobicContact CG1-CG2 4.33Å; V63-I96 HydrophobicContact CG2-CD1 4.06Å; V63-I96 HydrophobicContact CG2-CG1 4.13Å; V63-I96 HydrophobicContact CG2-CG2 4.04Å; V63-L99 HydrophobicContact CG1-CD1 4.42Å
64	R	98	Very high	97.6	Very high	116 Å²	116	44.6 Å²	44.6	44%	0.438	22%	0.215	S	C	.	.	H	α-helix	trans	-56.8	-50.1	177.3	-172	-172.6	-61.1	-102.4	-1.7	111.8	E60 R61 C62 F66 L67 E68 L99	E60-R64 PolarHBondContact O-N 3.12Å; E60-R64 VanDerWaalsContact O-N 3.07Å; R61-R64 PolarHBondContact O-N 3.29Å; C62-R64 VanDerWaalsContact C-N 3.28Å; C62-R64 PolarHBondContact O-N 3.39Å; R64-F66 VanDerWaalsContact C-N 3.33Å; R64-F66 PolarHBondContact O-N 3.23Å; R64-L67 PolarHBondContact O-N 3.1Å; R64-E68 WeakPolarHBondContact CG-OE1 3.25Å; R64-E68 WeakPolarHBondContact O-CG 3.22Å; R64-E68 PolarHBondContact O-N 2.92Å; R64-L99 HydrophobicContact CB-CD1 4.19Å
65	V	98.1	Very high	97.6	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-62	-40.3	179.1	175.2	0	0	0	0	111.9	V27 V30 R31 L34 R61 C62 V63 E68 H69	V27-V65 HydrophobicContact CG1-CG2 3.52Å; V30-V65 HydrophobicContact CG1-CG1 4.2Å; R31-V65 HydrophobicContact CB-CG1 4.16Å; R31-V65 VanDerWaalsContact NH2-CG2 3.31Å; L34-V65 HydrophobicContact CD1-CG1 3.74Å; R61-V65 WeakPolarHBondContact O-CG2 3.42Å; R61-V65 PolarHBondContact O-N 2.87Å; R61-V65 VanDerWaalsContact O-N 3.16Å; C62-V65 PolarHBondContact O-N 2.95Å; C62-V65 VanDerWaalsContact O-N 3.15Å; V63-V65 PolarHBondContact O-N 3.29Å; V65-E68 PolarHBondContact O-N 3.48Å; V65-H69 PolarHBondContact O-N 2.7Å; V65-H69 PolarHBondContact O-ND1 2.89Å
66	F	97.9	Very high	97.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-46.4	176.7	-69.1	-46.8	0	0	0	111.9	I18 V22 V30 L34 P40 L50 L51 S54 C62 V63 R64 E68 H69 G70 A71	I18-F66 HydrophobicContact CD1-CE1 4.41Å; V22-F66 HydrophobicContact CG2-CE2 3.72Å; V22-F66 HydrophobicContact CG2-CZ 3.46Å; V22-F66 VanDerWaalsContact CG2-CZ 3.46Å; V30-F66 HydrophobicContact CG1-CD1 4.29Å; V30-F66 HydrophobicContact CG1-CE1 3.46Å; V30-F66 VanDerWaalsContact CG1-CE1 3.46Å; V30-F66 HydrophobicContact CG1-CE2 4.36Å; V30-F66 HydrophobicContact CG1-CZ 3.49Å; V30-F66 VanDerWaalsContact CG1-CZ 3.49Å; V30-F66 HydrophobicContact CG2-CZ 4.42Å; L34-F66 HydrophobicContact CD1-CD1 3.78Å; L34-F66 HydrophobicContact CD1-CE1 3.97Å; L34-F66 HydrophobicContact CD2-CD1 4.3Å; L34-F66 HydrophobicContact CD2-CE1 4.26Å; L34-F66 HydrophobicContact CG-CE1 4.46Å; P40-F66 HydrophobicContact CB-CD1 4.34Å; L50-F66 HydrophobicContact CB-CD1 4.37Å; L50-F66 HydrophobicContact CB-CD2 4.15Å; L50-F66 HydrophobicContact CB-CE1 3.98Å; L50-F66 HydrophobicContact CB-CE2 3.74Å; L50-F66 HydrophobicContact CB-CG 4.48Å; L50-F66 HydrophobicContact CB-CZ 3.66Å; L50-F66 HydrophobicContact CD1-CD1 4.37Å; L50-F66 HydrophobicContact CD1-CE1 3.52Å; L50-F66 HydrophobicContact CD1-CZ 3.65Å; L50-F66 HydrophobicContact CG-CE1 4.38Å; L50-F66 HydrophobicContact CG-CZ 4.16Å; L51-F66 HydrophobicContact CD2-CB 3.69Å; L51-F66 HydrophobicContact CD2-CD2 4.41Å; L51-F66 HydrophobicContact CD2-CG 4.48Å; L51-F66 HydrophobicContact CG-CB 4.29Å; S54-F66 VanDerWaalsContact OG-CE2 3.32Å; S54-F66 WeakPolarHBondContact OG-CE2 3.49Å; C62-F66 HydrophobicContact CB-CD2 4.28Å; C62-F66 HydrophobicContact CB-CE2 3.82Å; C62-F66 WeakPolarHBondContact O-CD2 3.2Å; C62-F66 WeakPolarHBondContact O-CG 3.5Å; C62-F66 PolarHBondContact O-N 3.49Å; V63-F66 PolarHBondContact O-N 3.44Å; R64-F66 VanDerWaalsContact C-N 3.33Å; R64-F66 PolarHBondContact O-N 3.23Å; F66-E68 PolarHBondContact O-N 3.44Å; F66-H69 CarbonylContact O-C 3.58Å; F66-H69 PolarHBondContact O-N 3.34Å; F66-H69 VanDerWaalsContact O-N 3.11Å; F66-G70 PolarHBondContact O-N 3.05Å; F66-A71 VanDerWaalsContact C-CB 3.42Å; F66-A71 HydrophobicContact CB-CB 3.7Å; F66-A71 WeakPolarHBondContact O-CB 3.21Å; F66-A71 PolarHBondContact O-N 3.2Å
67	L	97.3	Very high	97.7	Very high	37 Å²	37	49.3 Å²	49.3	19%	0.194	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-41.8	176.3	-65.5	172.6	0	0	0	111.7	L51 V63 R64 H69 G70 P73 L99 M100	L51-L67 HydrophobicContact CD1-CD2 4.07Å; L51-L67 HydrophobicContact CD2-CD2 4.29Å; L51-L67 HydrophobicContact CD2-CG 4.32Å; V63-L67 HydrophobicContact CG1-CD1 3.9Å; V63-L67 HydrophobicContact CG1-CG 4.35Å; V63-L67 WeakPolarHBondContact O-CG 3.3Å; V63-L67 PolarHBondContact O-N 3.34Å; R64-L67 PolarHBondContact O-N 3.1Å; L67-H69 PolarHBondContact O-N 3.39Å; L67-H69 VanDerWaalsContact O-N 3.16Å; L67-G70 PolarHBondContact O-N 3.24Å; L67-G70 VanDerWaalsContact O-N 3.09Å; L67-P73 HydrophobicContact CD2-CB 4.45Å; L67-P73 HydrophobicContact CD2-CG 4.33Å; L67-L99 HydrophobicContact CD1-CB 4.31Å; L67-M100 HydrophobicContact CD1-CG 4.19Å
68	E	96.4	Very high	97.8	Very high	108 Å²	108	48.1 Å²	48.1	51%	0.505	24%	0.238	S	C	.	.	H	α-helix	trans	-57.4	-26.8	174.2	-74.9	168.7	-170.3	0	0	113.2	R31 R64 V65 F66	R31-E68 IonicContact CZ-OE2 3.81Å; R31-E68 IonicContact NH1-OE2 3.93Å; R31-E68 PolarHBondContact NH1-OE2 2.95Å; R31-E68 IonicContact NH2-OE2 3.09Å; R31-E68 PolarHBondContact NH2-OE2 3.46Å; R31-E68 VanDerWaalsContact NH2-OE2 3.09Å; R64-E68 WeakPolarHBondContact CG-OE1 3.25Å; R64-E68 WeakPolarHBondContact O-CG 3.22Å; R64-E68 PolarHBondContact O-N 2.92Å; V65-E68 PolarHBondContact O-N 3.48Å; F66-E68 PolarHBondContact O-N 3.44Å
69	H	97.3	Very high	97.8	Very high	61 Å²	61	52.5 Å²	52.5	28%	0.282	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	19.2	-179.7	-65.5	72.1	0	0	0	112.9	L34 P40 V65 F66 L67	L34-H69 HydrophobicContact CB-CB 4.49Å; L34-H69 HydrophobicContact CD1-CB 4.01Å; P40-H69 WeakPolarHBondContact CG-O 3.22Å; V65-H69 PolarHBondContact O-N 2.7Å; V65-H69 PolarHBondContact O-ND1 2.89Å; F66-H69 CarbonylContact O-C 3.58Å; F66-H69 PolarHBondContact O-N 3.34Å; F66-H69 VanDerWaalsContact O-N 3.11Å; L67-H69 PolarHBondContact O-N 3.39Å; L67-H69 VanDerWaalsContact O-N 3.16Å
70	G	95.8	Very high	97.7	Very high	39 Å²	39	50.8 Å²	50.8	40%	0.402	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	27.2	173.3	0	0	0	0	0	114.7	N41 F66 L67 D72	N41-G70 PolarHBondContact ND2-O 3.32Å; F66-G70 PolarHBondContact O-N 3.05Å; L67-G70 PolarHBondContact O-N 3.24Å; L67-G70 VanDerWaalsContact O-N 3.09Å; G70-D72 PolarHBondContact O-N 3.42Å
71	A	97.4	Very high	97.8	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.008	24%	0.239	C	C	.	.			trans	-64.8	130.8	167.4	0	0	0	0	0	110.6	P40 N41 L51 F66 P73	P40-A71 HydrophobicContact CB-CB 3.89Å; P40-A71 HydrophobicContact CG-CB 4.45Å; N41-A71 WeakPolarHBondContact OD1-CA 3.32Å; L51-A71 HydrophobicContact CD1-CB 3.55Å; L51-A71 HydrophobicContact CD2-CB 4.23Å; L51-A71 HydrophobicContact CG-CB 3.76Å; F66-A71 VanDerWaalsContact C-CB 3.42Å; F66-A71 HydrophobicContact CB-CB 3.7Å; F66-A71 WeakPolarHBondContact O-CB 3.21Å; F66-A71 PolarHBondContact O-N 3.2Å; A71-P73 VanDerWaalsContact O-CD 3.31Å; A71-P73 WeakPolarHBondContact O-CD 3.34Å
72	D	97.6	Very high	97.8	Very high	45 Å²	45	40.6 Å²	40.6	24%	0.241	21%	0.212	C	C	.	.			trans	-89.5	110.3	-178.9	179.5	-1.7	0	0	0	110.4	N41 G70 T74 V75	N41-D72 PolarHBondContact OD1-N 3.38Å; G70-D72 PolarHBondContact O-N 3.42Å; D72-T74 VanDerWaalsContact CG-OG1 3.24Å; D72-T74 PolarHBondContact O-N 3.35Å; D72-T74 WeakPolarHBondContact OD1-CA 3.5Å; D72-T74 WeakPolarHBondContact OD1-CB 3.49Å; D72-T74 VanDerWaalsContact OD1-CG2 3.28Å; D72-T74 WeakPolarHBondContact OD1-CG2 3.44Å; D72-T74 PolarHBondContact OD1-N 2.95Å; D72-T74 PolarHBondContact OD1-OG1 3.22Å; D72-T74 PolarHBondContact OD2-OG1 2.95Å; D72-T74 VanDerWaalsContact OD2-OG1 3.12Å; D72-V75 HydrophobicContact CB-CG2 4.03Å
73	P	97.8	Very high	97.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.2	179.1	34.8	-36.7	0	0	0	113.5	L51 L67 A71 V75 M100 Y105 I109	L51-P73 HydrophobicContact CD1-CB 3.99Å; L67-P73 HydrophobicContact CD2-CB 4.45Å; L67-P73 HydrophobicContact CD2-CG 4.33Å; A71-P73 VanDerWaalsContact O-CD 3.31Å; A71-P73 WeakPolarHBondContact O-CD 3.34Å; P73-V75 VanDerWaalsContact C-N 3.34Å; P73-M100 HydrophobicContact CB-CG 4.39Å; P73-M100 HydrophobicContact CB-SD 4.11Å; P73-Y105 VanDerWaalsContact CD-CD2 3.41Å; P73-Y105 VanDerWaalsContact CD-CG 3.49Å; P73-Y105 VanDerWaalsContact CG-CB 3.43Å; P73-Y105 HydrophobicContact CG-CD1 4.08Å; P73-Y105 HydrophobicContact CG-CD2 3.48Å; P73-Y105 VanDerWaalsContact CG-CD2 3.48Å; P73-Y105 HydrophobicContact CG-CE2 4.24Å; P73-Y105 HydrophobicContact CG-CG 3.38Å; P73-I109 HydrophobicContact CB-CG2 4.34Å; P73-I109 HydrophobicContact CG-CG2 4.3Å
74	T	98.4	Very high	97.8	Very high	46 Å²	46	40.7 Å²	40.7	28%	0.282	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-17.7	179.4	77	0	0	0	0	112.8	D72 K76 Y105 D108 I109	D72-T74 VanDerWaalsContact CG-OG1 3.24Å; D72-T74 PolarHBondContact O-N 3.35Å; D72-T74 WeakPolarHBondContact OD1-CA 3.5Å; D72-T74 WeakPolarHBondContact OD1-CB 3.49Å; D72-T74 VanDerWaalsContact OD1-CG2 3.28Å; D72-T74 WeakPolarHBondContact OD1-CG2 3.44Å; D72-T74 PolarHBondContact OD1-N 2.95Å; D72-T74 PolarHBondContact OD1-OG1 3.22Å; D72-T74 PolarHBondContact OD2-OG1 2.95Å; D72-T74 VanDerWaalsContact OD2-OG1 3.12Å; T74-K76 PolarHBondContact O-N 2.99Å; T74-Y105 HydrophobicContact CG2-CD1 3.69Å; T74-Y105 HydrophobicContact CG2-CE1 4.47Å; T74-Y105 HydrophobicContact CG2-CG 4.39Å; T74-D108 HydrophobicContact CG2-CB 3.6Å; T74-I109 HydrophobicContact CG2-CG2 3.95Å
75	V	98.3	Very high	97.9	Very high	25 Å²	25	35.1 Å²	35.1	15%	0.152	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-56	131.9	178.3	-178.6	0	0	0	0	109.8	T49 H52 D72 P73 T83	T49-V75 HydrophobicContact CG2-CB 4.02Å; T49-V75 HydrophobicContact CG2-CG1 3.7Å; T49-V75 HydrophobicContact CG2-CG2 4.27Å; H52-V75 PolarHBondContact CE1-O 3.12Å; H52-V75 PolarHBondContact NE2-O 3.34Å; H52-V75 VanDerWaalsContact NE2-O 3.16Å; D72-V75 HydrophobicContact CB-CG2 4.03Å; P73-V75 VanDerWaalsContact C-N 3.34Å; V75-T83 WeakPolarHBondContact O-CA 3.3Å
76	K	98.5	Very high	97.9	Very high	83 Å²	83	35 Å²	35	36%	0.361	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-100.5	146.5	173.8	-65.8	-180	-178.1	-175.8	0	110.4	R43 T74 G81 F82 T83 K113	R43-K76 PolarHBondContact NH2-O 3.4Å; T74-K76 PolarHBondContact O-N 2.99Å; K76-G81 WeakPolarHBondContact CD-O 3.35Å; K76-G81 WeakPolarHBondContact CG-O 3.43Å; K76-F82 CarbonylContact C-O 3.5Å; K76-F82 WeakPolarHBondContact CA-O 3.41Å; K76-T83 HydrophobicContact CG-CG2 3.78Å; K76-K113 WeakPolarHBondContact CE-O 3.46Å; K76-K113 PolarHBondContact NZ-O 3.35Å
77	D	98.4	Very high	98	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.032	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-65.7	167.9	165.6	73.8	43.1	0	0	0	111.9	I79 G80 G81 F82 Y87	D77-I79 PolarHBondContact OD1-N 2.84Å; D77-G80 PolarHBondContact OD1-N 3.4Å; D77-G81 WeakPolarHBondContact O-CA 3.36Å; D77-G81 PolarHBondContact OD1-N 3.27Å; D77-F82 PolarHBondContact N-O 3.11Å; D77-F82 PolarHBondContact OD1-N 3.46Å; D77-F82 WeakPolarHBondContact OD2-CB 3.45Å; D77-F82 PolarHBondContact OD2-N 3.31Å; D77-Y87 WeakPolarHBondContact OD2-CE2 3.35Å; D77-Y87 PolarHBondContact OD2-OH 3.24Å
78	L	98.4	Very high	98	Very high	110 Å²	110	34.5 Å²	34.5	58%	0.576	19%	0.186	S	C	*	.	S	Bend	trans	-89.2	-9.5	179.3	-63.8	175.7	0	0	0	113.6	N46	N46-L78 PolarHBondContact O-N 3.04Å
79	I	97.2	Very high	98.1	Very high	120 Å²	120	29.3 Å²	29.3	62%	0.615	16%	0.162	S	C	*	.	S	Bend	trans	-92.7	-63.2	-171.8	-54.5	-59.2	0	0	0	110.3	N46 D77 N115	N46-I79 HydrophobicContact CB-CG1 4.15Å; D77-I79 PolarHBondContact OD1-N 2.84Å; I79-N115 PolarHBondContact O-ND2 2.93Å
80	G	97.2	Very high	98.2	Very high	16 Å²	16	27.9 Å²	27.9	17%	0.165	16%	0.155	C	C	.	.	S	Bend	trans	-104.8	-7.7	-179.5	0	0	0	0	0	113.4	D77 F82 S114 N115	D77-G80 PolarHBondContact OD1-N 3.4Å; G80-F82 VanDerWaalsContact C-N 3.26Å; G80-S114 VanDerWaalsContact O-CB 3.3Å; G80-S114 WeakPolarHBondContact O-CB 3.39Å; G80-N115 WeakPolarHBondContact O-CB 3.42Å; G80-N115 PolarHBondContact O-N 3.1Å
81	G	98.5	Very high	98.3	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.01	15%	0.153	C	C	.	.			trans	70.4	24.9	-171.9	0	0	0	0	0	112.3	K76 D77 S114 N115	K76-G81 WeakPolarHBondContact CD-O 3.35Å; K76-G81 WeakPolarHBondContact CG-O 3.43Å; D77-G81 WeakPolarHBondContact O-CA 3.36Å; D77-G81 PolarHBondContact OD1-N 3.27Å; G81-S114 WeakPolarHBondContact O-CA 3.37Å; G81-N115 WeakPolarHBondContact CA-OD1 3.26Å; G81-N115 PolarHBondContact N-ND2 3.3Å
82	F	98.8	Very high	98.4	Very high	34 Å²	34	31 Å²	31	15%	0.149	17%	0.167	C	C	.	.			trans	-82.3	139.1	-179.5	-71.7	-25.6	0	0	0	111.5	H52 K76 D77 G80 H86 Y87 M90 V123	H52-F82 PolarHBondContact NE2-O 3.12Å; K76-F82 CarbonylContact C-O 3.5Å; K76-F82 WeakPolarHBondContact CA-O 3.41Å; D77-F82 PolarHBondContact N-O 3.11Å; D77-F82 PolarHBondContact OD1-N 3.46Å; D77-F82 WeakPolarHBondContact OD2-CB 3.45Å; D77-F82 PolarHBondContact OD2-N 3.31Å; G80-F82 VanDerWaalsContact C-N 3.26Å; F82-H86 HydrophobicContact CB-CB 3.75Å; F82-H86 HydrophobicContact CD1-CB 3.91Å; F82-H86 AromaticContact CD1-CD2 3.6Å; F82-H86 AromaticContact CD1-CG 3.78Å; F82-H86 HydrophobicContact CG-CB 3.85Å; F82-Y87 HydrophobicContact CB-CD2 4.15Å; F82-Y87 HydrophobicContact CB-CE2 3.65Å; F82-Y87 HydrophobicContact CD2-CE2 4.4Å; F82-M90 HydrophobicContact CE2-CE 4.04Å; F82-V123 HydrophobicContact CE1-CG2 4.36Å; F82-V123 HydrophobicContact CZ-CG2 4.49Å
83	T	98.8	Very high	98.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-86.1	170.3	168.3	67.8	0	0	0	0	111.2	V75 K76 L85 H86 Y87 A112	V75-T83 WeakPolarHBondContact O-CA 3.3Å; K76-T83 HydrophobicContact CG-CG2 3.78Å; T83-L85 PolarHBondContact O-N 2.83Å; T83-L85 VanDerWaalsContact O-N 3.16Å; T83-L85 PolarHBondContact OG1-N 3.27Å; T83-H86 PolarHBondContact N-ND1 3.49Å; T83-H86 WeakPolarHBondContact O-CB 3.5Å; T83-H86 PolarHBondContact O-N 3.18Å; T83-H86 PolarHBondContact OG1-ND1 3Å; T83-Y87 WeakPolarHBondContact O-CD2 3.38Å; T83-Y87 PolarHBondContact O-N 3.3Å; T83-A112 HydrophobicContact CG2-CB 4.14Å
84	A	98.6	Very high	98.4	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-55.2	-33.2	172.9	0	0	0	0	0	113.1	L51 H52 A55 H86 Y87 A88 M100	L51-A84 HydrophobicContact CB-CB 3.88Å; H52-A84 PolarHBondContact NE2-N 2.72Å; A55-A84 HydrophobicContact CB-CB 4.14Å; A55-A84 VanDerWaalsContact CB-O 3.29Å; A55-A84 WeakPolarHBondContact CB-O 3.46Å; A84-H86 PolarHBondContact O-N 3.25Å; A84-Y87 PolarHBondContact O-N 2.88Å; A84-A88 PolarHBondContact O-N 2.96Å; A84-M100 HydrophobicContact CB-CE 4.49Å; A84-M100 HydrophobicContact CB-SD 3.87Å
85	L	98.9	Very high	98.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.9	-33.1	177.1	-172.6	63.6	0	0	0	112.7	T83 A88 A89 A97 M100 L101 I109 P120 F132 L136	T83-L85 PolarHBondContact O-N 2.83Å; T83-L85 VanDerWaalsContact O-N 3.16Å; T83-L85 PolarHBondContact OG1-N 3.27Å; L85-A88 PolarHBondContact O-N 3.01Å; L85-A89 WeakPolarHBondContact O-CB 3.07Å; L85-A89 PolarHBondContact O-N 2.84Å; L85-A97 HydrophobicContact CD1-CB 3.55Å; L85-M100 HydrophobicContact CB-CE 4.18Å; L85-M100 HydrophobicContact CD1-CE 3.91Å; L85-L101 HydrophobicContact CD1-CG 4.48Å; L85-L101 HydrophobicContact CD2-CD2 3.86Å; L85-L101 HydrophobicContact CD2-CG 4.4Å; L85-I109 HydrophobicContact CD2-CB 4.2Å; L85-I109 HydrophobicContact CD2-CD1 4.09Å; L85-I109 HydrophobicContact CD2-CG1 3.88Å; L85-P120 HydrophobicContact CB-CG 4.41Å; L85-P120 HydrophobicContact CD2-CB 4.23Å; L85-P120 HydrophobicContact CD2-CG 3.87Å; L85-P120 HydrophobicContact CG-CB 4.09Å; L85-P120 HydrophobicContact CG-CG 3.97Å; L85-F132 HydrophobicContact CD1-CE1 4.4Å; L85-F132 HydrophobicContact CD1-CZ 3.84Å; L85-L136 HydrophobicContact CD2-CD2 4.39Å
86	H	98.9	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-43.5	173.1	-69.6	83	0	0	0	111.5	F82 T83 A84 A89 M90 A112 W118	F82-H86 HydrophobicContact CB-CB 3.75Å; F82-H86 HydrophobicContact CD1-CB 3.91Å; F82-H86 AromaticContact CD1-CD2 3.6Å; F82-H86 AromaticContact CD1-CG 3.78Å; F82-H86 HydrophobicContact CG-CB 3.85Å; T83-H86 PolarHBondContact N-ND1 3.49Å; T83-H86 WeakPolarHBondContact O-CB 3.5Å; T83-H86 PolarHBondContact O-N 3.18Å; T83-H86 PolarHBondContact OG1-ND1 3Å; A84-H86 PolarHBondContact O-N 3.25Å; H86-A89 CarbonylContact O-C 3.46Å; H86-A89 WeakPolarHBondContact O-CB 3.22Å; H86-A89 PolarHBondContact O-N 2.88Å; H86-A89 VanDerWaalsContact O-N 3.16Å; H86-M90 PolarHBondContact O-N 3.44Å; H86-A112 PolarHBondContact CE1-O 3.03Å; H86-A112 PolarHBondContact NE2-O 3.07Å; H86-A112 VanDerWaalsContact NE2-O 3.14Å; H86-W118 PolarHBondContact NE2-O 3.3Å
87	Y	98.8	Very high	98.3	Very high	26 Å²	26	36.3 Å²	36.3	10%	0.102	18%	0.18	C	C	.	.	H	α-helix	trans	-66.2	-39.3	175.7	-75.5	-75.1	0	0	0	112.2	W48 H52 A56 D77 F82 T83 A84 A89 M90 H91	W48-Y87 AromaticContact CE2-CZ 3.77Å; W48-Y87 HydrophobicContact CH2-CD1 4.38Å; W48-Y87 AromaticContact CH2-CE1 3.96Å; W48-Y87 HydrophobicContact CH2-CE1 3.96Å; W48-Y87 HydrophobicContact CZ2-CD1 4.32Å; W48-Y87 AromaticContact CZ2-CE1 3.51Å; W48-Y87 HydrophobicContact CZ2-CE1 3.51Å; W48-Y87 HydrophobicContact CZ2-CE2 4.09Å; W48-Y87 AromaticContact CZ2-CZ 3.35Å; W48-Y87 VanDerWaalsContact CZ2-OH 3.24Å; W48-Y87 WeakPolarHBondContact CZ2-OH 3.33Å; W48-Y87 AromaticContact NE1-CZ 3.92Å; W48-Y87 PolarHBondContact NE1-OH 2.88Å; H52-Y87 HydrophobicContact CB-CD2 4.49Å; H52-Y87 AromaticContact CD2-CD2 3.7Å; H52-Y87 AromaticContact CD2-CE2 3.69Å; A56-Y87 HydrophobicContact CB-CD1 4.35Å; D77-Y87 WeakPolarHBondContact OD2-CE2 3.35Å; D77-Y87 PolarHBondContact OD2-OH 3.24Å; F82-Y87 HydrophobicContact CB-CD2 4.15Å; F82-Y87 HydrophobicContact CB-CE2 3.65Å; F82-Y87 HydrophobicContact CD2-CE2 4.4Å; T83-Y87 WeakPolarHBondContact O-CD2 3.38Å; T83-Y87 PolarHBondContact O-N 3.3Å; A84-Y87 PolarHBondContact O-N 2.88Å; Y87-A89 VanDerWaalsContact C-N 3.28Å; Y87-A89 PolarHBondContact O-N 2.95Å; Y87-M90 PolarHBondContact O-N 3.4Å; Y87-H91 PolarHBondContact O-CD2 3.36Å; Y87-H91 VanDerWaalsContact O-CD2 3.29Å; Y87-H91 PolarHBondContact O-N 2.73Å; Y87-H91 VanDerWaalsContact O-N 3.16Å
88	A	98.8	Very high	98.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.8	-42	170.8	0	0	0	0	0	111.2	A55 A84 L85 H91 G92 R93 I96 M100 F132	A55-A88 HydrophobicContact CB-CB 4.27Å; A84-A88 PolarHBondContact O-N 2.96Å; L85-A88 PolarHBondContact O-N 3.01Å; A88-H91 CarbonylContact O-C 3.6Å; A88-H91 PolarHBondContact O-N 3.44Å; A88-G92 PolarHBondContact O-N 2.9Å; A88-R93 HydrophobicContact CB-CB 4.16Å; A88-R93 PolarHBondContact O-N 3.02Å; A88-I96 HydrophobicContact CB-CG2 4.04Å; A88-M100 HydrophobicContact CB-CE 4.02Å; A88-F132 HydrophobicContact CB-CE2 3.8Å; A88-F132 HydrophobicContact CB-CZ 3.9Å; A88-F132 VanDerWaalsContact O-CE2 3.23Å; A88-F132 WeakPolarHBondContact O-CE2 3.35Å
89	A	98.9	Very high	98.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-43.6	176.9	0	0	0	0	0	112.1	L85 H86 Y87 H91 G92 P120 V123 A124 R129 F132	L85-A89 WeakPolarHBondContact O-CB 3.07Å; L85-A89 PolarHBondContact O-N 2.84Å; H86-A89 CarbonylContact O-C 3.46Å; H86-A89 WeakPolarHBondContact O-CB 3.22Å; H86-A89 PolarHBondContact O-N 2.88Å; H86-A89 VanDerWaalsContact O-N 3.16Å; Y87-A89 VanDerWaalsContact C-N 3.28Å; Y87-A89 PolarHBondContact O-N 2.95Å; A89-H91 VanDerWaalsContact C-N 3.29Å; A89-H91 PolarHBondContact O-N 2.96Å; A89-G92 PolarHBondContact O-N 3.31Å; A89-P120 HydrophobicContact CB-CB 4.25Å; A89-P120 WeakPolarHBondContact CB-O 3.33Å; A89-V123 HydrophobicContact CB-CB 4.11Å; A89-V123 HydrophobicContact CB-CG1 4.07Å; A89-A124 HydrophobicContact CB-CB 4.19Å; A89-R129 WeakPolarHBondContact O-CG 3.43Å; A89-F132 VanDerWaalsContact CA-CE1 3.47Å; A89-F132 HydrophobicContact CB-CD1 3.86Å; A89-F132 HydrophobicContact CB-CE1 3.38Å; A89-F132 HydrophobicContact CB-CE2 4.43Å; A89-F132 HydrophobicContact CB-CZ 3.69Å
90	M	98.8	Very high	98.4	Very high	30 Å²	30	31 Å²	31	15%	0.148	15%	0.146	C	C	.	.	H	α-helix	trans	-58.4	-41.2	177.9	-177.5	-180	-64.7	0	0	112.1	F82 H86 Y87 V123 Y127 R129	F82-M90 HydrophobicContact CE2-CE 4.04Å; H86-M90 PolarHBondContact O-N 3.44Å; Y87-M90 PolarHBondContact O-N 3.4Å; M90-V123 HydrophobicContact CB-CG1 3.72Å; M90-Y127 HydrophobicContact CB-CD2 4.32Å; M90-Y127 HydrophobicContact CB-CE2 4.34Å; M90-Y127 HydrophobicContact CE-CE2 4.05Å; M90-Y127 HydrophobicContact CG-CD1 4.49Å; M90-Y127 HydrophobicContact CG-CD2 3.89Å; M90-Y127 HydrophobicContact CG-CE1 4.25Å; M90-Y127 HydrophobicContact CG-CE2 3.64Å; M90-Y127 HydrophobicContact CG-CG 4.33Å; M90-Y127 HydrophobicContact SD-CE2 4.39Å; M90-R129 VanDerWaalsContact O-CZ 3.3Å; M90-R129 PolarHBondContact O-NE 2.89Å; M90-R129 PolarHBondContact O-NH2 3.5Å
91	H	98.4	Very high	98.4	Very high	74 Å²	74	30.2 Å²	30.2	34%	0.343	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	4.8	-177	-63.7	-71.4	0	0	0	114.2	Y87 A88 A89 R93	Y87-H91 PolarHBondContact O-CD2 3.36Å; Y87-H91 VanDerWaalsContact O-CD2 3.29Å; Y87-H91 PolarHBondContact O-N 2.73Å; Y87-H91 VanDerWaalsContact O-N 3.16Å; A88-H91 CarbonylContact O-C 3.6Å; A88-H91 PolarHBondContact O-N 3.44Å; A89-H91 VanDerWaalsContact C-N 3.29Å; A89-H91 PolarHBondContact O-N 2.96Å; H91-R93 HydrophobicContact CB-CG 3.99Å; H91-R93 PolarHBondContact O-N 3.38Å
92	G	98.2	Very high	98.4	Very high	31 Å²	31	36 Å²	36	32%	0.32	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	32	177.6	0	0	0	0	0	114.2	A88 A89 A94	A88-G92 PolarHBondContact O-N 2.9Å; A89-G92 PolarHBondContact O-N 3.31Å; G92-A94 VanDerWaalsContact C-N 3.27Å; G92-A94 PolarHBondContact O-N 3.16Å
93	R	98.3	Very high	98.3	Very high	98 Å²	98	35.5 Å²	35.5	37%	0.37	17%	0.166	S	C	.	.			trans	-81.6	66.7	-177	-51.7	-54.2	-170.3	-177.5	-1.2	112.1	A55 A88 H91 R95 I96 A97	A55-R93 WeakPolarHBondContact O-CG 3.5Å; A88-R93 HydrophobicContact CB-CB 4.16Å; A88-R93 PolarHBondContact O-N 3.02Å; H91-R93 HydrophobicContact CB-CG 3.99Å; H91-R93 PolarHBondContact O-N 3.38Å; R93-R95 VanDerWaalsContact C-N 3.3Å; R93-R95 PolarHBondContact O-N 3.44Å; R93-I96 HydrophobicContact CB-CB 3.99Å; R93-I96 HydrophobicContact CB-CD1 4.13Å; R93-I96 HydrophobicContact CB-CG1 4.41Å; R93-I96 HydrophobicContact CG-CD1 4.46Å; R93-I96 WeakPolarHBondContact O-CB 3.48Å; R93-I96 PolarHBondContact O-N 2.95Å; R93-I96 VanDerWaalsContact O-N 3.1Å; R93-A97 PolarHBondContact O-N 3.41Å
94	A	97.3	Very high	98.1	Very high	29 Å²	29	42.4 Å²	42.4	24%	0.24	20%	0.198	C	C	.	.	H	α-helix	trans	-57.1	-37.3	-173.2	0	0	0	0	0	114	G92 A97 R98 F132 L135	G92-A94 VanDerWaalsContact C-N 3.27Å; G92-A94 PolarHBondContact O-N 3.16Å; A94-A97 PolarHBondContact O-N 2.87Å; A94-R98 WeakPolarHBondContact O-CB 3.49Å; A94-R98 PolarHBondContact O-N 3.42Å; A94-F132 HydrophobicContact CB-CD2 4.49Å; A94-L135 HydrophobicContact CB-CD2 4.21Å; A94-L135 WeakPolarHBondContact O-CD2 3.45Å
95	R	97.4	Very high	98	Very high	182 Å²	182	45 Å²	45	69%	0.687	21%	0.208	S	C	*	.	H	α-helix	trans	-66.3	-39.7	177.4	-64.8	-175.9	-179.1	179.2	-0.7	112.9	E60 R93 R98 L99	E60-R95 HydrophobicContact CG-CB 4.3Å; E60-R95 WeakPolarHBondContact OE2-CB 3.19Å; E60-R95 WeakPolarHBondContact OE2-CD 3.18Å; R93-R95 VanDerWaalsContact C-N 3.3Å; R93-R95 PolarHBondContact O-N 3.44Å; R95-R98 PolarHBondContact O-N 2.95Å; R95-L99 WeakPolarHBondContact O-CG 3.28Å; R95-L99 PolarHBondContact O-N 3.39Å; R95-L99 VanDerWaalsContact O-N 3.17Å
96	I	98.4	Very high	98	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.015	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-42.9	175.4	-76.3	175.9	0	0	0	110.8	A55 E60 V63 A88 R93 R98 L99 M100	A55-I96 HydrophobicContact CB-CG2 4.08Å; E60-I96 HydrophobicContact CB-CD1 4.45Å; E60-I96 HydrophobicContact CB-CG1 3.96Å; E60-I96 HydrophobicContact CG-CG1 4.23Å; V63-I96 HydrophobicContact CG1-CG2 4.33Å; V63-I96 HydrophobicContact CG2-CD1 4.06Å; V63-I96 HydrophobicContact CG2-CG1 4.13Å; V63-I96 HydrophobicContact CG2-CG2 4.04Å; A88-I96 HydrophobicContact CB-CG2 4.04Å; R93-I96 HydrophobicContact CB-CB 3.99Å; R93-I96 HydrophobicContact CB-CD1 4.13Å; R93-I96 HydrophobicContact CB-CG1 4.41Å; R93-I96 HydrophobicContact CG-CD1 4.46Å; R93-I96 WeakPolarHBondContact O-CB 3.48Å; R93-I96 PolarHBondContact O-N 2.95Å; R93-I96 VanDerWaalsContact O-N 3.1Å; I96-R98 VanDerWaalsContact C-N 3.32Å; I96-R98 PolarHBondContact O-N 3.45Å; I96-L99 PolarHBondContact O-N 3.46Å; I96-M100 HydrophobicContact CG2-CE 3.54Å; I96-M100 PolarHBondContact O-N 3.35Å; I96-M100 VanDerWaalsContact O-N 3.17Å
97	A	98.4	Very high	97.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-41.1	175.7	0	0	0	0	0	112.3	L85 R93 A94 L99 M100 L101 F132 L135	L85-A97 HydrophobicContact CD1-CB 3.55Å; R93-A97 PolarHBondContact O-N 3.41Å; A94-A97 PolarHBondContact O-N 2.87Å; A97-L99 VanDerWaalsContact C-N 3.35Å; A97-L99 PolarHBondContact O-N 3.03Å; A97-M100 PolarHBondContact O-N 2.85Å; A97-L101 HydrophobicContact CB-CD1 4.49Å; A97-L101 WeakPolarHBondContact O-CB 3.43Å; A97-L101 VanDerWaalsContact O-CG 3.22Å; A97-L101 WeakPolarHBondContact O-CG 3.4Å; A97-L101 PolarHBondContact O-N 3.42Å; A97-F132 HydrophobicContact CB-CD2 4.23Å; A97-F132 HydrophobicContact CB-CE1 4.19Å; A97-F132 HydrophobicContact CB-CE2 3.3Å; A97-F132 HydrophobicContact CB-CZ 3.28Å; A97-L135 HydrophobicContact CB-CD2 3.61Å
98	R	98.5	Very high	97.9	Very high	97 Å²	97	56.5 Å²	56.5	37%	0.366	27%	0.273	S	S	.	.	H	α-helix	trans	-57.2	-47.2	174.8	-176.1	176.8	-62.1	-76.5	-0.2	111.6	A94 R95 I96 M100 L101 E102 L135 E138	A94-R98 WeakPolarHBondContact O-CB 3.49Å; A94-R98 PolarHBondContact O-N 3.42Å; R95-R98 PolarHBondContact O-N 2.95Å; I96-R98 VanDerWaalsContact C-N 3.32Å; I96-R98 PolarHBondContact O-N 3.45Å; R98-M100 VanDerWaalsContact C-N 3.31Å; R98-M100 PolarHBondContact O-N 3.44Å; R98-L101 PolarHBondContact O-N 2.93Å; R98-E102 VanDerWaalsContact CD-OE1 3.31Å; R98-E102 WeakPolarHBondContact CD-OE1 3.45Å; R98-E102 VanDerWaalsContact CG-CD 3.41Å; R98-E102 HydrophobicContact CG-CG 4.19Å; R98-E102 WeakPolarHBondContact CG-OE1 3.39Å; R98-E102 IonicContact NH1-OE1 2.91Å; R98-E102 WeakPolarHBondContact O-CB 3.29Å; R98-E102 VanDerWaalsContact O-CG 3.32Å; R98-E102 WeakPolarHBondContact O-CG 3.16Å; R98-E102 PolarHBondContact O-N 3.23Å; R98-L135 HydrophobicContact CB-CD1 4.45Å; R98-L135 HydrophobicContact CB-CD2 4.43Å; R98-L135 VanDerWaalsContact NH2-CD1 3.27Å; R98-E138 IonicContact NH2-OE2 3.7Å
99	L	98.1	Very high	97.9	Very high	26 Å²	26	56.5 Å²	56.5	14%	0.136	27%	0.273	C	S	.	.	H	α-helix	trans	-56.3	-44.1	175.8	-68.4	173.7	0	0	0	112.7	E60 V63 R64 L67 R95 I96 A97	E60-L99 HydrophobicContact CG-CD1 3.76Å; V63-L99 HydrophobicContact CG1-CD1 4.42Å; R64-L99 HydrophobicContact CB-CD1 4.19Å; L67-L99 HydrophobicContact CD1-CB 4.31Å; R95-L99 WeakPolarHBondContact O-CG 3.28Å; R95-L99 PolarHBondContact O-N 3.39Å; R95-L99 VanDerWaalsContact O-N 3.17Å; I96-L99 PolarHBondContact O-N 3.46Å; A97-L99 VanDerWaalsContact C-N 3.35Å; A97-L99 PolarHBondContact O-N 3.03Å
100	M	98.3	Very high	97.9	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-70.8	-39	178.3	-71.6	-174.8	-75.6	0	0	112.4	L67 P73 A84 L85 A88 I96 A97 R98 E102 S103 I109	L67-M100 HydrophobicContact CD1-CG 4.19Å; P73-M100 HydrophobicContact CB-CG 4.39Å; P73-M100 HydrophobicContact CB-SD 4.11Å; A84-M100 HydrophobicContact CB-CE 4.49Å; A84-M100 HydrophobicContact CB-SD 3.87Å; L85-M100 HydrophobicContact CB-CE 4.18Å; L85-M100 HydrophobicContact CD1-CE 3.91Å; A88-M100 HydrophobicContact CB-CE 4.02Å; I96-M100 HydrophobicContact CG2-CE 3.54Å; I96-M100 PolarHBondContact O-N 3.35Å; I96-M100 VanDerWaalsContact O-N 3.17Å; A97-M100 PolarHBondContact O-N 2.85Å; R98-M100 VanDerWaalsContact C-N 3.31Å; R98-M100 PolarHBondContact O-N 3.44Å; M100-E102 VanDerWaalsContact C-N 3.34Å; M100-E102 PolarHBondContact O-N 2.86Å; M100-S103 WeakPolarHBondContact O-CB 3.31Å; M100-S103 PolarHBondContact O-N 2.96Å; M100-S103 PolarHBondContact O-OG 2.88Å; M100-I109 HydrophobicContact CB-CD1 3.68Å
101	L	98.4	Very high	97.9	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-77.1	-17.7	-177.7	-68.6	170.3	0	0	0	113.8	L85 A97 R98 R106 I109 I110 L135 L136 F139	L85-L101 HydrophobicContact CD1-CG 4.48Å; L85-L101 HydrophobicContact CD2-CD2 3.86Å; L85-L101 HydrophobicContact CD2-CG 4.4Å; A97-L101 HydrophobicContact CB-CD1 4.49Å; A97-L101 WeakPolarHBondContact O-CB 3.43Å; A97-L101 VanDerWaalsContact O-CG 3.22Å; A97-L101 WeakPolarHBondContact O-CG 3.4Å; A97-L101 PolarHBondContact O-N 3.42Å; R98-L101 PolarHBondContact O-N 2.93Å; L101-R106 HydrophobicContact CD2-CG 4.42Å; L101-R106 WeakPolarHBondContact O-CB 3.23Å; L101-R106 VanDerWaalsContact O-CD 3.31Å; L101-R106 WeakPolarHBondContact O-CD 3.37Å; L101-R106 VanDerWaalsContact O-CG 3.29Å; L101-R106 WeakPolarHBondContact O-CG 3.34Å; L101-I109 HydrophobicContact CD2-CD1 4.45Å; L101-I109 HydrophobicContact CD2-CG1 4.31Å; L101-I110 HydrophobicContact CD2-CB 3.9Å; L101-I110 HydrophobicContact CD2-CD1 4.13Å; L101-I110 HydrophobicContact CD2-CG1 4Å; L101-L135 HydrophobicContact CD1-CD2 4.44Å; L101-L135 HydrophobicContact CD1-CG 4.36Å; L101-L136 HydrophobicContact CD1-CD2 4.14Å; L101-F139 HydrophobicContact CB-CD1 3.79Å; L101-F139 HydrophobicContact CB-CD2 4.36Å; L101-F139 HydrophobicContact CB-CE1 3.8Å; L101-F139 HydrophobicContact CB-CE2 4.39Å; L101-F139 HydrophobicContact CB-CG 4.07Å; L101-F139 HydrophobicContact CB-CZ 4.11Å; L101-F139 HydrophobicContact CD1-CB 4.22Å; L101-F139 HydrophobicContact CD1-CD2 4.04Å; L101-F139 HydrophobicContact CD1-CG 4.04Å; L101-F139 WeakPolarHBondContact O-CE1 3.32Å
102	E	97.5	Very high	97.9	Very high	121 Å²	121	54.4 Å²	54.4	57%	0.565	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.5	172.1	-71.5	170.9	178	0	0	112.8	R98 M100 F139	R98-E102 VanDerWaalsContact CD-OE1 3.31Å; R98-E102 WeakPolarHBondContact CD-OE1 3.45Å; R98-E102 VanDerWaalsContact CG-CD 3.41Å; R98-E102 HydrophobicContact CG-CG 4.19Å; R98-E102 WeakPolarHBondContact CG-OE1 3.39Å; R98-E102 IonicContact NH1-OE1 2.91Å; R98-E102 WeakPolarHBondContact O-CB 3.29Å; R98-E102 VanDerWaalsContact O-CG 3.32Å; R98-E102 WeakPolarHBondContact O-CG 3.16Å; R98-E102 PolarHBondContact O-N 3.23Å; M100-E102 VanDerWaalsContact C-N 3.34Å; M100-E102 PolarHBondContact O-N 2.86Å; E102-F139 HydrophobicContact CG-CE1 4.15Å; E102-F139 HydrophobicContact CG-CZ 3.81Å
103	S	95.9	Very high	97.9	Very high	24 Å²	24	57.1 Å²	57.1	17%	0.168	27%	0.269	C	S	.	.	S	Bend	trans	-85.1	170	176.1	76.1	0	0	0	0	112.9	M100 Y105 R106	M100-S103 WeakPolarHBondContact O-CB 3.31Å; M100-S103 PolarHBondContact O-N 2.96Å; M100-S103 PolarHBondContact O-OG 2.88Å; S103-Y105 PolarHBondContact O-N 3.41Å; S103-Y105 VanDerWaalsContact O-N 3.16Å; S103-Y105 PolarHBondContact OG-N 3.42Å; S103-R106 WeakPolarHBondContact O-CB 3.28Å; S103-R106 PolarHBondContact O-N 2.85Å
104	E	95.9	Very high	98	Very high	147 Å²	147	52.8 Å²	52.8	69%	0.687	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.3	174.4	60.3	-88.2	-179.1	0	0	114.2	R106	E104-R106 PolarHBondContact O-N 3.33Å
105	Y	97.1	Very high	98	Very high	55 Å²	55	56 Å²	56	22%	0.216	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-0.3	-177	-58.8	-80.2	0	0	0	114.6	P73 T74 S103 S107 D108 I109	P73-Y105 VanDerWaalsContact CD-CD2 3.41Å; P73-Y105 VanDerWaalsContact CD-CG 3.49Å; P73-Y105 VanDerWaalsContact CG-CB 3.43Å; P73-Y105 HydrophobicContact CG-CD1 4.08Å; P73-Y105 HydrophobicContact CG-CD2 3.48Å; P73-Y105 VanDerWaalsContact CG-CD2 3.48Å; P73-Y105 HydrophobicContact CG-CE2 4.24Å; P73-Y105 HydrophobicContact CG-CG 3.38Å; T74-Y105 HydrophobicContact CG2-CD1 3.69Å; T74-Y105 HydrophobicContact CG2-CE1 4.47Å; T74-Y105 HydrophobicContact CG2-CG 4.39Å; S103-Y105 PolarHBondContact O-N 3.41Å; S103-Y105 VanDerWaalsContact O-N 3.16Å; S103-Y105 PolarHBondContact OG-N 3.42Å; Y105-S107 VanDerWaalsContact C-N 3.29Å; Y105-S107 PolarHBondContact O-N 3.43Å; Y105-D108 WeakPolarHBondContact O-CB 3.22Å; Y105-D108 PolarHBondContact O-N 3.16Å; Y105-I109 WeakPolarHBondContact O-CG1 3.43Å; Y105-I109 PolarHBondContact O-N 3.12Å; Y105-I109 VanDerWaalsContact O-N 3.15Å
106	R	98.1	Very high	98.1	Very high	82 Å²	82	51.5 Å²	51.5	31%	0.309	26%	0.257	S	S	.	.	H	α-helix	trans	-47.9	-48.7	-174.4	177.6	-169.9	132.7	63	0.4	113	L101 S103 E104 D108 I109 I110 F139	L101-R106 HydrophobicContact CD2-CG 4.42Å; L101-R106 WeakPolarHBondContact O-CB 3.23Å; L101-R106 VanDerWaalsContact O-CD 3.31Å; L101-R106 WeakPolarHBondContact O-CD 3.37Å; L101-R106 VanDerWaalsContact O-CG 3.29Å; L101-R106 WeakPolarHBondContact O-CG 3.34Å; S103-R106 WeakPolarHBondContact O-CB 3.28Å; S103-R106 PolarHBondContact O-N 2.85Å; E104-R106 PolarHBondContact O-N 3.33Å; R106-D108 PolarHBondContact O-N 3.36Å; R106-I109 PolarHBondContact O-N 3.5Å; R106-I110 VanDerWaalsContact NH1-CD1 3.31Å; R106-I110 WeakPolarHBondContact O-CB 3.39Å; R106-I110 VanDerWaalsContact O-CG2 3.28Å; R106-I110 WeakPolarHBondContact O-CG2 3.25Å; R106-I110 PolarHBondContact O-N 3.02Å; R106-I110 VanDerWaalsContact O-N 3.1Å; R106-F139 PolarHBondContact NH1-O 3.29Å; R106-F139 PolarHBondContact NH2-O 3.33Å
107	S	97.6	Very high	98.1	Very high	92 Å²	92	51.4 Å²	51.4	64%	0.643	26%	0.256	S	S	*	.	H	α-helix	trans	-62.5	-32.8	-178.8	41.3	0	0	0	0	112.7	Y105	Y105-S107 VanDerWaalsContact C-N 3.29Å; Y105-S107 PolarHBondContact O-N 3.43Å
108	D	98.3	Very high	98.1	Very high	94 Å²	94	54 Å²	54	50%	0.503	27%	0.266	S	S	.	.	H	α-helix	trans	-80.8	-29.5	-176	-53.9	-60.1	0	0	0	112.2	T74 Y105 R106	T74-D108 HydrophobicContact CG2-CB 3.6Å; Y105-D108 WeakPolarHBondContact O-CB 3.22Å; Y105-D108 PolarHBondContact O-N 3.16Å; R106-D108 PolarHBondContact O-N 3.36Å
109	I	98.6	Very high	98.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-103.3	-29	-171.5	68.4	179.1	0	0	0	114.7	P73 T74 L85 M100 L101 Y105 R106 N111 A112	P73-I109 HydrophobicContact CB-CG2 4.34Å; P73-I109 HydrophobicContact CG-CG2 4.3Å; T74-I109 HydrophobicContact CG2-CG2 3.95Å; L85-I109 HydrophobicContact CD2-CB 4.2Å; L85-I109 HydrophobicContact CD2-CD1 4.09Å; L85-I109 HydrophobicContact CD2-CG1 3.88Å; M100-I109 HydrophobicContact CB-CD1 3.68Å; L101-I109 HydrophobicContact CD2-CD1 4.45Å; L101-I109 HydrophobicContact CD2-CG1 4.31Å; Y105-I109 WeakPolarHBondContact O-CG1 3.43Å; Y105-I109 PolarHBondContact O-N 3.12Å; Y105-I109 VanDerWaalsContact O-N 3.15Å; R106-I109 PolarHBondContact O-N 3.5Å; I109-N111 VanDerWaalsContact C-N 3.33Å; I109-N111 PolarHBondContact O-N 3.47Å; I109-A112 WeakPolarHBondContact O-CB 3.08Å; I109-A112 PolarHBondContact O-N 3.22Å
110	I	98.8	Very high	98.2	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.041	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-38.7	-168.4	-170.2	167.3	0	0	0	113.3	L101 R106 L136 F139 A141	L101-I110 HydrophobicContact CD2-CB 3.9Å; L101-I110 HydrophobicContact CD2-CD1 4.13Å; L101-I110 HydrophobicContact CD2-CG1 4Å; R106-I110 VanDerWaalsContact NH1-CD1 3.31Å; R106-I110 WeakPolarHBondContact O-CB 3.39Å; R106-I110 VanDerWaalsContact O-CG2 3.28Å; R106-I110 WeakPolarHBondContact O-CG2 3.25Å; R106-I110 PolarHBondContact O-N 3.02Å; R106-I110 VanDerWaalsContact O-N 3.1Å; I110-L136 HydrophobicContact CG1-CD2 4.42Å; I110-F139 HydrophobicContact CD1-CB 3.73Å; I110-F139 WeakPolarHBondContact CD1-O 3.48Å; I110-A141 HydrophobicContact CD1-CB 3.92Å; I110-A141 HydrophobicContact CG1-CB 3.79Å
111	N	98.8	Very high	98.2	Very high	39 Å²	39	48 Å²	48	21%	0.209	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	16.4	177.6	-62.9	-25.9	0	0	0	111.8	I109 K113 A141 E142	I109-N111 VanDerWaalsContact C-N 3.33Å; I109-N111 PolarHBondContact O-N 3.47Å; N111-K113 PolarHBondContact O-N 3Å; N111-A141 WeakPolarHBondContact OD1-CA 3.44Å; N111-E142 WeakPolarHBondContact ND2-CG 3.43Å; N111-E142 PolarHBondContact ND2-OE1 3.38Å; N111-E142 PolarHBondContact OD1-N 3.48Å
112	A	98.8	Very high	98.2	Very high	13 Å²	13	48 Å²	48	11%	0.107	24%	0.241	C	C	.	.			trans	-54.6	131.6	178.4	0	0	0	0	0	110.2	T83 H86 I109 T119 P120	T83-A112 HydrophobicContact CG2-CB 4.14Å; H86-A112 PolarHBondContact CE1-O 3.03Å; H86-A112 PolarHBondContact NE2-O 3.07Å; H86-A112 VanDerWaalsContact NE2-O 3.14Å; I109-A112 WeakPolarHBondContact O-CB 3.08Å; I109-A112 PolarHBondContact O-N 3.22Å; A112-T119 WeakPolarHBondContact O-CA 3.37Å; A112-P120 WeakPolarHBondContact O-CD 3.45Å
113	K	98.8	Very high	98.3	Very high	87 Å²	87	42.3 Å²	42.3	38%	0.378	22%	0.215	S	C	.	.			trans	-95.1	136.3	178.4	-69.6	-166.9	-179.2	-163.6	0	112	K76 N111 W118 T119 L146	K76-K113 WeakPolarHBondContact CE-O 3.46Å; K76-K113 PolarHBondContact NZ-O 3.35Å; N111-K113 PolarHBondContact O-N 3Å; K113-W118 CarbonylContact C-O 3.41Å; K113-W118 WeakPolarHBondContact CA-O 3.38Å; K113-T119 HydrophobicContact CG-CG2 4.16Å; K113-L146 PolarHBondContact NZ-O 3.41Å
114	S	98.8	Very high	98.4	Very high	8 Å²	8	41.1 Å²	41.1	6%	0.056	21%	0.207	C	C	.	.			trans	-70.7	-178.6	166.7	84.3	0	0	0	0	112.3	G80 G81 D116 G117 W118	G80-S114 VanDerWaalsContact O-CB 3.3Å; G80-S114 WeakPolarHBondContact O-CB 3.39Å; G81-S114 WeakPolarHBondContact O-CA 3.37Å; S114-D116 PolarHBondContact O-N 3.02Å; S114-D116 PolarHBondContact OG-N 3.02Å; S114-G117 PolarHBondContact O-N 3.1Å; S114-W118 PolarHBondContact N-O 3.21Å; S114-W118 PolarHBondContact OG-N 3.01Å
115	N	98.6	Very high	98.6	Very high	96 Å²	96	34.1 Å²	34.1	51%	0.513	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.8	175.1	-67.3	-10	0	0	0	113.8	I79 G80 G81	I79-N115 PolarHBondContact O-ND2 2.93Å; G80-N115 WeakPolarHBondContact O-CB 3.42Å; G80-N115 PolarHBondContact O-N 3.1Å; G81-N115 WeakPolarHBondContact CA-OD1 3.26Å; G81-N115 PolarHBondContact N-ND2 3.3Å
116	D	98.3	Very high	98.7	Very high	88 Å²	88	32.9 Å²	32.9	47%	0.471	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	11.2	173.8	-70.9	-54.1	0	0	0	112	S114 W118 D148	S114-D116 PolarHBondContact O-N 3.02Å; S114-D116 PolarHBondContact OG-N 3.02Å; D116-W118 VanDerWaalsContact C-N 3.26Å; D116-W118 PolarHBondContact O-N 2.88Å; D116-D148 VanDerWaalsContact C-OD2 3.22Å; D116-D148 PolarHBondContact O-N 3.14Å; D116-D148 VanDerWaalsContact O-N 3.12Å
117	G	98.6	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	75.4	8.5	-177.1	0	0	0	0	0	114.6	S114 S147 D148	S114-G117 PolarHBondContact O-N 3.1Å; G117-S147 WeakPolarHBondContact O-CA 3.39Å; G117-D148 WeakPolarHBondContact CA-OD1 3.29Å; G117-D148 PolarHBondContact N-OD2 3.26Å; G117-D148 VanDerWaalsContact N-OD2 3.17Å
118	W	98.8	Very high	98.7	Very high	54 Å²	54	29.7 Å²	29.7	21%	0.205	15%	0.151	C	C	.	.			trans	-74.2	132.9	-178.8	-75.9	36.1	0	0	0	110.4	H86 K113 S114 D116 H122 V123 H126 L156	H86-W118 PolarHBondContact NE2-O 3.3Å; K113-W118 CarbonylContact C-O 3.41Å; K113-W118 WeakPolarHBondContact CA-O 3.38Å; S114-W118 PolarHBondContact N-O 3.21Å; S114-W118 PolarHBondContact OG-N 3.01Å; D116-W118 VanDerWaalsContact C-N 3.26Å; D116-W118 PolarHBondContact O-N 2.88Å; W118-H122 HydrophobicContact CB-CB 3.99Å; W118-H122 HydrophobicContact CD2-CB 4.04Å; W118-H122 HydrophobicContact CE3-CB 4.03Å; W118-H122 HydrophobicContact CG-CB 4.04Å; W118-V123 HydrophobicContact CE3-CG2 3.9Å; W118-H126 HydrophobicContact CH2-CB 4.13Å; W118-H126 AromaticContact CH2-CE1 3.72Å; W118-H126 AromaticContact CH2-CG 3.74Å; W118-H126 AromaticContact CH2-ND1 3.35Å; W118-H126 VanDerWaalsContact CH2-ND1 3.35Å; W118-H126 WeakPolarHBondContact CH2-ND1 3.36Å; W118-H126 HydrophobicContact CZ3-CB 3.79Å; W118-H126 AromaticContact CZ3-CG 3.78Å; W118-H126 AromaticContact CZ3-ND1 3.9Å; W118-L156 HydrophobicContact CD2-CD1 4.36Å; W118-L156 HydrophobicContact CE3-CD1 4.37Å; W118-L156 HydrophobicContact CH2-CD1 3.97Å; W118-L156 HydrophobicContact CH2-CD2 4.48Å; W118-L156 HydrophobicContact CZ2-CD1 3.88Å; W118-L156 HydrophobicContact CZ2-CD2 4.22Å; W118-L156 HydrophobicContact CZ3-CD1 4.19Å
119	T	98.9	Very high	98.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.			trans	-90.8	167.5	169.8	67.6	0	0	0	0	110.8	A112 K113 L121 H122 V123 P145	A112-T119 WeakPolarHBondContact O-CA 3.37Å; K113-T119 HydrophobicContact CG-CG2 4.16Å; T119-L121 PolarHBondContact O-N 3.08Å; T119-L121 VanDerWaalsContact O-N 3.12Å; T119-L121 PolarHBondContact OG1-N 2.86Å; T119-H122 PolarHBondContact N-ND1 3.37Å; T119-H122 VanDerWaalsContact N-ND1 3.15Å; T119-H122 WeakPolarHBondContact O-CB 3.43Å; T119-H122 PolarHBondContact O-N 3Å; T119-H122 PolarHBondContact OG1-N 3Å; T119-H122 PolarHBondContact OG1-ND1 3.16Å; T119-V123 PolarHBondContact O-N 3.07Å; T119-V123 VanDerWaalsContact O-N 3.13Å; T119-P145 HydrophobicContact CG2-CB 3.96Å; T119-P145 HydrophobicContact CG2-CG 4.08Å
120	P	98.9	Very high	98.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-53.7	-32	170.6	-28.1	36.2	0	0	0	113.2	L85 A89 A112 V123 A124 L136	L85-P120 HydrophobicContact CB-CG 4.41Å; L85-P120 HydrophobicContact CD2-CB 4.23Å; L85-P120 HydrophobicContact CD2-CG 3.87Å; L85-P120 HydrophobicContact CG-CB 4.09Å; L85-P120 HydrophobicContact CG-CG 3.97Å; A89-P120 HydrophobicContact CB-CB 4.25Å; A89-P120 WeakPolarHBondContact CB-O 3.33Å; A112-P120 WeakPolarHBondContact O-CD 3.45Å; P120-V123 PolarHBondContact O-N 3.25Å; P120-A124 WeakPolarHBondContact O-CB 3.48Å; P120-A124 PolarHBondContact O-N 2.7Å; P120-L136 HydrophobicContact CB-CD1 3.98Å; P120-L136 HydrophobicContact CB-CD2 4.19Å
121	L	98.9	Very high	98.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-68	-40.6	176.4	-170.8	62.2	0	0	0	112.1	T119 V123 A124 A125 V133 L136 L137 E142 P153 L169	T119-L121 PolarHBondContact O-N 3.08Å; T119-L121 VanDerWaalsContact O-N 3.12Å; T119-L121 PolarHBondContact OG1-N 2.86Å; L121-V123 VanDerWaalsContact C-N 3.35Å; L121-V123 PolarHBondContact O-N 3.17Å; L121-A124 PolarHBondContact O-N 2.85Å; L121-A125 WeakPolarHBondContact O-CB 3.35Å; L121-A125 PolarHBondContact O-N 3.06Å; L121-V133 HydrophobicContact CD1-CB 4.39Å; L121-V133 HydrophobicContact CD1-CG1 3.96Å; L121-V133 HydrophobicContact CD1-CG2 4.36Å; L121-L136 HydrophobicContact CB-CD1 4Å; L121-L136 HydrophobicContact CD1-CB 4.21Å; L121-L136 HydrophobicContact CD1-CD1 4Å; L121-L137 HydrophobicContact CD1-CG 4.4Å; L121-L137 HydrophobicContact CD2-CD2 4.06Å; L121-E142 WeakPolarHBondContact CD2-O 3.4Å; L121-P153 HydrophobicContact CB-CG 4.22Å; L121-P153 HydrophobicContact CD2-CB 4.25Å; L121-P153 HydrophobicContact CD2-CG 3.94Å; L121-P153 HydrophobicContact CG-CB 3.91Å; L121-P153 HydrophobicContact CG-CG 3.86Å; L121-L169 HydrophobicContact CD1-CD2 4.2Å; L121-L169 HydrophobicContact CD2-CD2 4.11Å; L121-L169 HydrophobicContact CG-CD2 4.35Å
122	H	98.9	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58	-48.3	172.1	-72.3	90.4	0	0	0	111.3	W118 T119 A125 H126 P145 S147 T151 L156	W118-H122 HydrophobicContact CB-CB 3.99Å; W118-H122 HydrophobicContact CD2-CB 4.04Å; W118-H122 HydrophobicContact CE3-CB 4.03Å; W118-H122 HydrophobicContact CG-CB 4.04Å; T119-H122 PolarHBondContact N-ND1 3.37Å; T119-H122 VanDerWaalsContact N-ND1 3.15Å; T119-H122 WeakPolarHBondContact O-CB 3.43Å; T119-H122 PolarHBondContact O-N 3Å; T119-H122 PolarHBondContact OG1-N 3Å; T119-H122 PolarHBondContact OG1-ND1 3.16Å; H122-A125 PolarHBondContact O-N 3.39Å; H122-H126 WeakPolarHBondContact O-CB 3.43Å; H122-H126 PolarHBondContact O-N 3.29Å; H122-P145 PolarHBondContact CE1-O 3.15Å; H122-P145 PolarHBondContact NE2-O 3.02Å; H122-P145 VanDerWaalsContact NE2-O 3.16Å; H122-S147 PolarHBondContact NE2-N 3.13Å; H122-T151 PolarHBondContact NE2-O 3.1Å; H122-L156 HydrophobicContact CB-CD1 3.96Å
123	V	98.9	Very high	98.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-50.6	179.6	179.5	0	0	0	0	110.4	F82 A89 M90 W118 T119 P120 L121 A125 H126 Y127	F82-V123 HydrophobicContact CE1-CG2 4.36Å; F82-V123 HydrophobicContact CZ-CG2 4.49Å; A89-V123 HydrophobicContact CB-CB 4.11Å; A89-V123 HydrophobicContact CB-CG1 4.07Å; M90-V123 HydrophobicContact CB-CG1 3.72Å; W118-V123 HydrophobicContact CE3-CG2 3.9Å; T119-V123 PolarHBondContact O-N 3.07Å; T119-V123 VanDerWaalsContact O-N 3.13Å; P120-V123 PolarHBondContact O-N 3.25Å; L121-V123 VanDerWaalsContact C-N 3.35Å; L121-V123 PolarHBondContact O-N 3.17Å; V123-A125 VanDerWaalsContact C-N 3.32Å; V123-A125 PolarHBondContact O-N 3.17Å; V123-H126 PolarHBondContact O-N 2.69Å; V123-Y127 HydrophobicContact CG1-CD2 3.85Å; V123-Y127 HydrophobicContact CG1-CE2 4.06Å; V123-Y127 VanDerWaalsContact O-CD2 3.29Å; V123-Y127 WeakPolarHBondContact O-CD2 3.43Å; V123-Y127 PolarHBondContact O-N 2.66Å; V123-Y127 VanDerWaalsContact O-N 3.08Å
124	A	98.9	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.5	-42.5	179.5	0	0	0	0	0	112.2	A89 P120 L121 G128 R129 F132 V133 L136	A89-A124 HydrophobicContact CB-CB 4.19Å; P120-A124 WeakPolarHBondContact O-CB 3.48Å; P120-A124 PolarHBondContact O-N 2.7Å; L121-A124 PolarHBondContact O-N 2.85Å; A124-G128 PolarHBondContact O-N 3.04Å; A124-R129 HydrophobicContact CB-CB 4.28Å; A124-R129 PolarHBondContact O-N 3.41Å; A124-F132 HydrophobicContact CB-CB 4.33Å; A124-F132 HydrophobicContact CB-CD1 3.91Å; A124-F132 HydrophobicContact CB-CG 4.46Å; A124-V133 HydrophobicContact CB-CG2 3.68Å; A124-L136 HydrophobicContact CB-CD1 4.3Å
125	A	98.9	Very high	98.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64	-45.6	177.3	0	0	0	0	0	112	L121 H122 V123 Y127 G128 P153 A157 R162 L169	L121-A125 WeakPolarHBondContact O-CB 3.35Å; L121-A125 PolarHBondContact O-N 3.06Å; H122-A125 PolarHBondContact O-N 3.39Å; V123-A125 VanDerWaalsContact C-N 3.32Å; V123-A125 PolarHBondContact O-N 3.17Å; A125-Y127 PolarHBondContact O-N 3.01Å; A125-G128 PolarHBondContact O-N 3.42Å; A125-P153 HydrophobicContact CB-CB 3.91Å; A125-P153 WeakPolarHBondContact CB-O 3.39Å; A125-A157 HydrophobicContact CB-CB 4.27Å; A125-R162 WeakPolarHBondContact O-CG 3.39Å; A125-L169 HydrophobicContact CB-CD1 4.27Å
126	H	98.8	Very high	98.7	Very high	29 Å²	29	28.2 Å²	28.2	13%	0.134	14%	0.137	C	C	.	.	H	α-helix	trans	-59.1	-45.2	178.1	-176.3	95.7	0	0	0	112.8	W118 H122 V123 G128 L156 R160 R162	W118-H126 HydrophobicContact CH2-CB 4.13Å; W118-H126 AromaticContact CH2-CE1 3.72Å; W118-H126 AromaticContact CH2-CG 3.74Å; W118-H126 AromaticContact CH2-ND1 3.35Å; W118-H126 VanDerWaalsContact CH2-ND1 3.35Å; W118-H126 WeakPolarHBondContact CH2-ND1 3.36Å; W118-H126 HydrophobicContact CZ3-CB 3.79Å; W118-H126 AromaticContact CZ3-CG 3.78Å; W118-H126 AromaticContact CZ3-ND1 3.9Å; H122-H126 WeakPolarHBondContact O-CB 3.43Å; H122-H126 PolarHBondContact O-N 3.29Å; V123-H126 PolarHBondContact O-N 2.69Å; H126-G128 VanDerWaalsContact C-N 3.33Å; H126-L156 HydrophobicContact CB-CD1 4.43Å; H126-R160 PolarHBondContact CE1-NH1 3.17Å; H126-R160 PolarHBondContact NE2-NH1 3.02Å; H126-R162 PolarHBondContact O-NE 3.13Å
127	Y	98.6	Very high	98.7	Very high	85 Å²	85	24.4 Å²	24.4	33%	0.333	12%	0.116	S	C	.	.	H	α-helix	trans	-86	0.2	-178.8	-71.7	-79.5	0	0	0	114.1	M90 V123 A125	M90-Y127 HydrophobicContact CB-CD2 4.32Å; M90-Y127 HydrophobicContact CB-CE2 4.34Å; M90-Y127 HydrophobicContact CE-CE2 4.05Å; M90-Y127 HydrophobicContact CG-CD1 4.49Å; M90-Y127 HydrophobicContact CG-CD2 3.89Å; M90-Y127 HydrophobicContact CG-CE1 4.25Å; M90-Y127 HydrophobicContact CG-CE2 3.64Å; M90-Y127 HydrophobicContact CG-CG 4.33Å; M90-Y127 HydrophobicContact SD-CE2 4.39Å; V123-Y127 HydrophobicContact CG1-CD2 3.85Å; V123-Y127 HydrophobicContact CG1-CE2 4.06Å; V123-Y127 VanDerWaalsContact O-CD2 3.29Å; V123-Y127 WeakPolarHBondContact O-CD2 3.43Å; V123-Y127 PolarHBondContact O-N 2.66Å; V123-Y127 VanDerWaalsContact O-N 3.08Å; A125-Y127 PolarHBondContact O-N 3.01Å
128	G	98.5	Very high	98.7	Very high	21 Å²	21	29.5 Å²	29.5	22%	0.216	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	41.5	177.6	0	0	0	0	0	113.4	A124 A125 H126 D130	A124-G128 PolarHBondContact O-N 3.04Å; A125-G128 PolarHBondContact O-N 3.42Å; H126-G128 VanDerWaalsContact C-N 3.33Å; G128-D130 PolarHBondContact O-N 3.3Å
129	R	98.7	Very high	98.7	Very high	89 Å²	89	28.7 Å²	28.7	34%	0.336	14%	0.138	S	C	.	.			trans	-92.8	72	-178.2	-55.3	-46	-171.4	-172.1	-3.3	111.4	A89 M90 A124 S131 F132 V133	A89-R129 WeakPolarHBondContact O-CG 3.43Å; M90-R129 VanDerWaalsContact O-CZ 3.3Å; M90-R129 PolarHBondContact O-NE 2.89Å; M90-R129 PolarHBondContact O-NH2 3.5Å; A124-R129 HydrophobicContact CB-CB 4.28Å; A124-R129 PolarHBondContact O-N 3.41Å; R129-S131 PolarHBondContact O-N 3.11Å; R129-F132 HydrophobicContact CB-CB 3.74Å; R129-F132 CarbonylContact O-C 3.57Å; R129-F132 WeakPolarHBondContact O-CA 3.32Å; R129-F132 VanDerWaalsContact O-CB 3.3Å; R129-F132 WeakPolarHBondContact O-CB 3.46Å; R129-F132 PolarHBondContact O-N 3.4Å; R129-V133 PolarHBondContact O-N 3.24Å
130	D	98.3	Very high	98.7	Very high	46 Å²	46	36.5 Å²	36.5	25%	0.246	17%	0.172	C	C	.	.	H	α-helix	trans	-46.5	-53.3	-173.6	-57.7	-14.8	0	0	0	114.3	G128 F132 V133 R134 S164 C165 I168	G128-D130 PolarHBondContact O-N 3.3Å; D130-F132 PolarHBondContact O-N 3.03Å; D130-V133 PolarHBondContact O-N 3.47Å; D130-R134 PolarHBondContact O-N 3.47Å; D130-S164 VanDerWaalsContact OD1-CB 3.27Å; D130-S164 WeakPolarHBondContact OD1-CB 3.39Å; D130-S164 WeakPolarHBondContact OD2-CB 3.47Å; D130-S164 PolarHBondContact OD2-OG 3.27Å; D130-C165 PolarHBondContact OD1-N 3.19Å; D130-C165 PolarHBondContact OD1-SG 3.14Å; D130-I168 HydrophobicContact CB-CD1 3.79Å
131	S	98.1	Very high	98.7	Very high	75 Å²	75	36.8 Å²	36.8	52%	0.524	18%	0.175	S	C	.	.	H	α-helix	trans	-66.7	-25.5	-179.6	-56.7	0	0	0	0	113	R129 L135	R129-S131 PolarHBondContact O-N 3.11Å; S131-L135 WeakPolarHBondContact O-CB 3.33Å; S131-L135 PolarHBondContact O-N 2.84Å
132	F	98.7	Very high	98.6	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-80.2	-39.8	176.3	-156	-74.1	0	0	0	111.3	L85 A88 A89 A94 A97 A124 R129 D130 L135 L136	L85-F132 HydrophobicContact CD1-CE1 4.4Å; L85-F132 HydrophobicContact CD1-CZ 3.84Å; A88-F132 HydrophobicContact CB-CE2 3.8Å; A88-F132 HydrophobicContact CB-CZ 3.9Å; A88-F132 VanDerWaalsContact O-CE2 3.23Å; A88-F132 WeakPolarHBondContact O-CE2 3.35Å; A89-F132 VanDerWaalsContact CA-CE1 3.47Å; A89-F132 HydrophobicContact CB-CD1 3.86Å; A89-F132 HydrophobicContact CB-CE1 3.38Å; A89-F132 HydrophobicContact CB-CE2 4.43Å; A89-F132 HydrophobicContact CB-CZ 3.69Å; A94-F132 HydrophobicContact CB-CD2 4.49Å; A97-F132 HydrophobicContact CB-CD2 4.23Å; A97-F132 HydrophobicContact CB-CE1 4.19Å; A97-F132 HydrophobicContact CB-CE2 3.3Å; A97-F132 HydrophobicContact CB-CZ 3.28Å; A124-F132 HydrophobicContact CB-CB 4.33Å; A124-F132 HydrophobicContact CB-CD1 3.91Å; A124-F132 HydrophobicContact CB-CG 4.46Å; R129-F132 HydrophobicContact CB-CB 3.74Å; R129-F132 CarbonylContact O-C 3.57Å; R129-F132 WeakPolarHBondContact O-CA 3.32Å; R129-F132 VanDerWaalsContact O-CB 3.3Å; R129-F132 WeakPolarHBondContact O-CB 3.46Å; R129-F132 PolarHBondContact O-N 3.4Å; D130-F132 PolarHBondContact O-N 3.03Å; F132-L135 WeakPolarHBondContact O-CB 3.34Å; F132-L135 PolarHBondContact O-N 3.31Å; F132-L136 HydrophobicContact CD1-CD1 3.69Å; F132-L136 HydrophobicContact CD1-CD2 4.49Å; F132-L136 HydrophobicContact CD1-CG 3.8Å; F132-L136 HydrophobicContact CE1-CD1 3.72Å; F132-L136 HydrophobicContact CE1-CD2 3.96Å; F132-L136 HydrophobicContact CE1-CG 3.76Å; F132-L136 WeakPolarHBondContact O-CG 3.27Å; F132-L136 PolarHBondContact O-N 3.44Å
133	V	98.9	Very high	98.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.1	-49.9	171.5	171.8	0	0	0	0	109.9	L121 A124 R129 D130 L135 L136 L137 I168 L169	L121-V133 HydrophobicContact CD1-CB 4.39Å; L121-V133 HydrophobicContact CD1-CG1 3.96Å; L121-V133 HydrophobicContact CD1-CG2 4.36Å; A124-V133 HydrophobicContact CB-CG2 3.68Å; R129-V133 PolarHBondContact O-N 3.24Å; D130-V133 PolarHBondContact O-N 3.47Å; V133-L135 PolarHBondContact O-N 2.92Å; V133-L136 PolarHBondContact O-N 3.11Å; V133-L137 HydrophobicContact CG1-CD1 3.75Å; V133-L137 WeakPolarHBondContact O-CD1 3.48Å; V133-L137 VanDerWaalsContact O-CG 3.28Å; V133-L137 WeakPolarHBondContact O-CG 3.17Å; V133-L137 PolarHBondContact O-N 2.92Å; V133-L137 VanDerWaalsContact O-N 3.1Å; V133-I168 HydrophobicContact CG1-CB 4.28Å; V133-I168 HydrophobicContact CG1-CG2 3.7Å; V133-L169 HydrophobicContact CG1-CD2 4.1Å; V133-L169 HydrophobicContact CG1-CG 4.14Å
134	R	98.8	Very high	98.6	Very high	100 Å²	100	46 Å²	46	38%	0.377	22%	0.221	S	C	.	.	H	α-helix	trans	-55.2	-49.2	174.5	-84.8	-171.6	-75.7	-90.9	-3.8	112.3	D130 L136 L137 E138 I168	D130-R134 PolarHBondContact O-N 3.47Å; R134-L136 PolarHBondContact O-N 3Å; R134-L137 PolarHBondContact O-N 3.29Å; R134-E138 WeakPolarHBondContact O-CG 3.3Å; R134-E138 PolarHBondContact O-N 2.88Å; R134-I168 HydrophobicContact CG-CD1 4.19Å; R134-I168 HydrophobicContact CG-CG1 4.27Å; R134-I168 HydrophobicContact CG-CG2 3.67Å
135	L	98.8	Very high	98.5	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-57.1	-47.7	179.2	-179.3	70.9	0	0	0	112.1	A94 A97 R98 L101 S131 F132 V133 L137 E138 F139	A94-L135 HydrophobicContact CB-CD2 4.21Å; A94-L135 WeakPolarHBondContact O-CD2 3.45Å; A97-L135 HydrophobicContact CB-CD2 3.61Å; R98-L135 HydrophobicContact CB-CD1 4.45Å; R98-L135 HydrophobicContact CB-CD2 4.43Å; R98-L135 VanDerWaalsContact NH2-CD1 3.27Å; L101-L135 HydrophobicContact CD1-CD2 4.44Å; L101-L135 HydrophobicContact CD1-CG 4.36Å; S131-L135 WeakPolarHBondContact O-CB 3.33Å; S131-L135 PolarHBondContact O-N 2.84Å; F132-L135 WeakPolarHBondContact O-CB 3.34Å; F132-L135 PolarHBondContact O-N 3.31Å; V133-L135 PolarHBondContact O-N 2.92Å; L135-L137 VanDerWaalsContact C-N 3.3Å; L135-L137 PolarHBondContact O-N 3.44Å; L135-E138 WeakPolarHBondContact O-CB 3.46Å; L135-E138 PolarHBondContact O-N 3.38Å; L135-F139 HydrophobicContact CD1-CD2 3.81Å; L135-F139 HydrophobicContact CD1-CE2 3.63Å; L135-F139 HydrophobicContact CG-CD2 4.22Å; L135-F139 HydrophobicContact CG-CE2 4.43Å; L135-F139 WeakPolarHBondContact O-CD2 3.25Å; L135-F139 PolarHBondContact O-N 3.4Å
136	L	98.9	Very high	98.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-42.1	179	-71.6	174	0	0	0	111.7	L85 L101 I110 P120 L121 A124 F132 V133 R134 F139 K140 A141	L85-L136 HydrophobicContact CD2-CD2 4.39Å; L101-L136 HydrophobicContact CD1-CD2 4.14Å; I110-L136 HydrophobicContact CG1-CD2 4.42Å; P120-L136 HydrophobicContact CB-CD1 3.98Å; P120-L136 HydrophobicContact CB-CD2 4.19Å; L121-L136 HydrophobicContact CB-CD1 4Å; L121-L136 HydrophobicContact CD1-CB 4.21Å; L121-L136 HydrophobicContact CD1-CD1 4Å; A124-L136 HydrophobicContact CB-CD1 4.3Å; F132-L136 HydrophobicContact CD1-CD1 3.69Å; F132-L136 HydrophobicContact CD1-CD2 4.49Å; F132-L136 HydrophobicContact CD1-CG 3.8Å; F132-L136 HydrophobicContact CE1-CD1 3.72Å; F132-L136 HydrophobicContact CE1-CD2 3.96Å; F132-L136 HydrophobicContact CE1-CG 3.76Å; F132-L136 WeakPolarHBondContact O-CG 3.27Å; F132-L136 PolarHBondContact O-N 3.44Å; V133-L136 PolarHBondContact O-N 3.11Å; R134-L136 PolarHBondContact O-N 3Å; L136-F139 CarbonylContact O-C 3.31Å; L136-F139 VanDerWaalsContact O-C 3.3Å; L136-F139 PolarHBondContact O-N 2.9Å; L136-K140 PolarHBondContact O-N 2.84Å; L136-A141 HydrophobicContact CB-CB 3.93Å; L136-A141 VanDerWaalsContact O-CB 3.25Å; L136-A141 WeakPolarHBondContact O-CB 3.02Å; L136-A141 PolarHBondContact O-N 3.49Å
137	L	98.8	Very high	98.4	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-70.9	-36	179.3	-63.6	165.7	0	0	0	112.7	L121 V133 R134 L135 F139 K140 V143 I168 L169 H172	L121-L137 HydrophobicContact CD1-CG 4.4Å; L121-L137 HydrophobicContact CD2-CD2 4.06Å; V133-L137 HydrophobicContact CG1-CD1 3.75Å; V133-L137 WeakPolarHBondContact O-CD1 3.48Å; V133-L137 VanDerWaalsContact O-CG 3.28Å; V133-L137 WeakPolarHBondContact O-CG 3.17Å; V133-L137 PolarHBondContact O-N 2.92Å; V133-L137 VanDerWaalsContact O-N 3.1Å; R134-L137 PolarHBondContact O-N 3.29Å; L135-L137 VanDerWaalsContact C-N 3.3Å; L135-L137 PolarHBondContact O-N 3.44Å; L137-F139 PolarHBondContact O-N 3.08Å; L137-K140 PolarHBondContact O-N 3.32Å; L137-V143 HydrophobicContact CD2-CB 4.47Å; L137-V143 HydrophobicContact CD2-CG1 4.4Å; L137-V143 HydrophobicContact CD2-CG2 3.85Å; L137-I168 HydrophobicContact CD1-CG2 3.8Å; L137-L169 HydrophobicContact CD1-CD2 4.26Å; L137-H172 HydrophobicContact CD1-CB 3.86Å; L137-H172 HydrophobicContact CD2-CB 4.2Å; L137-H172 HydrophobicContact CG-CB 4.43Å
138	E	98.4	Very high	98.4	Very high	108 Å²	108	50.3 Å²	50.3	51%	0.505	25%	0.252	S	S	.	.	H	α-helix	trans	-57.1	-42.4	169.8	-75.9	166.8	-162.3	0	0	110.7	R98 R134 L135 K140	R98-E138 IonicContact NH2-OE2 3.7Å; R134-E138 WeakPolarHBondContact O-CG 3.3Å; R134-E138 PolarHBondContact O-N 2.88Å; L135-E138 WeakPolarHBondContact O-CB 3.46Å; L135-E138 PolarHBondContact O-N 3.38Å; E138-K140 PolarHBondContact O-N 3.29Å
139	F	98.5	Very high	98.3	Very high	36 Å²	36	57.5 Å²	57.5	16%	0.158	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	15.3	173.4	-82.7	-88.5	0	0	0	113	L101 E102 R106 I110 L135 L136 L137 A141	L101-F139 HydrophobicContact CB-CD1 3.79Å; L101-F139 HydrophobicContact CB-CD2 4.36Å; L101-F139 HydrophobicContact CB-CE1 3.8Å; L101-F139 HydrophobicContact CB-CE2 4.39Å; L101-F139 HydrophobicContact CB-CG 4.07Å; L101-F139 HydrophobicContact CB-CZ 4.11Å; L101-F139 HydrophobicContact CD1-CB 4.22Å; L101-F139 HydrophobicContact CD1-CD2 4.04Å; L101-F139 HydrophobicContact CD1-CG 4.04Å; L101-F139 WeakPolarHBondContact O-CE1 3.32Å; E102-F139 HydrophobicContact CG-CE1 4.15Å; E102-F139 HydrophobicContact CG-CZ 3.81Å; R106-F139 PolarHBondContact NH1-O 3.29Å; R106-F139 PolarHBondContact NH2-O 3.33Å; I110-F139 HydrophobicContact CD1-CB 3.73Å; I110-F139 WeakPolarHBondContact CD1-O 3.48Å; L135-F139 HydrophobicContact CD1-CD2 3.81Å; L135-F139 HydrophobicContact CD1-CE2 3.63Å; L135-F139 HydrophobicContact CG-CD2 4.22Å; L135-F139 HydrophobicContact CG-CE2 4.43Å; L135-F139 WeakPolarHBondContact O-CD2 3.25Å; L135-F139 PolarHBondContact O-N 3.4Å; L136-F139 CarbonylContact O-C 3.31Å; L136-F139 VanDerWaalsContact O-C 3.3Å; L136-F139 PolarHBondContact O-N 2.9Å; L137-F139 PolarHBondContact O-N 3.08Å; F139-A141 VanDerWaalsContact C-N 3.31Å; F139-A141 PolarHBondContact O-N 3.16Å
140	K	98.1	Very high	98.1	Very high	165 Å²	165	54.2 Å²	54.2	72%	0.717	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	35.5	174.2	-45.4	-58.6	-177.4	-177.2	0	114.2	L136 L137 E138	L136-K140 PolarHBondContact O-N 2.84Å; L137-K140 PolarHBondContact O-N 3.32Å; E138-K140 PolarHBondContact O-N 3.29Å
141	A	98.7	Very high	98.1	Very high	6 Å²	6	53.5 Å²	53.5	5%	0.05	27%	0.268	C	S	.	.			trans	-56.2	147.6	163.7	0	0	0	0	0	109.7	I110 N111 L136 F139 V143	I110-A141 HydrophobicContact CD1-CB 3.92Å; I110-A141 HydrophobicContact CG1-CB 3.79Å; N111-A141 WeakPolarHBondContact OD1-CA 3.44Å; L136-A141 HydrophobicContact CB-CB 3.93Å; L136-A141 VanDerWaalsContact O-CB 3.25Å; L136-A141 WeakPolarHBondContact O-CB 3.02Å; L136-A141 PolarHBondContact O-N 3.49Å; F139-A141 VanDerWaalsContact C-N 3.31Å; F139-A141 PolarHBondContact O-N 3.16Å; A141-V143 PolarHBondContact O-N 2.98Å
142	E	98.6	Very high	98.1	Very high	106 Å²	106	50 Å²	50	50%	0.495	24%	0.243	S	C	.	.			trans	-58.7	134	171.6	-78.5	163.2	-141.6	0	0	109.4	N111 L121 P145	N111-E142 WeakPolarHBondContact ND2-CG 3.43Å; N111-E142 PolarHBondContact ND2-OE1 3.38Å; N111-E142 PolarHBondContact OD1-N 3.48Å; L121-E142 WeakPolarHBondContact CD2-O 3.4Å; E142-P145 HydrophobicContact CB-CB 4.23Å; E142-P145 HydrophobicContact CB-CG 4.29Å; E142-P145 VanDerWaalsContact O-CD 3.22Å; E142-P145 WeakPolarHBondContact O-CD 3.22Å
143	V	98.3	Very high	98.1	Very high	36 Å²	36	49.9 Å²	49.9	22%	0.218	24%	0.243	C	C	.	.	S	Bend	trans	-82.8	-42.1	-173.7	-173.9	0	0	0	0	112	L137 A141 P145 A174	L137-V143 HydrophobicContact CD2-CB 4.47Å; L137-V143 HydrophobicContact CD2-CG1 4.4Å; L137-V143 HydrophobicContact CD2-CG2 3.85Å; A141-V143 PolarHBondContact O-N 2.98Å; V143-P145 VanDerWaalsContact O-CD 3.25Å; V143-P145 WeakPolarHBondContact O-CD 3.35Å; V143-A174 VanDerWaalsContact CG1-CA 3.49Å; V143-A174 HydrophobicContact CG1-CB 3.56Å
144	D	97.9	Very high	98.1	Very high	52 Å²	52	49.9 Å²	49.9	28%	0.278	24%	0.243	S	C	.	.	S	Bend	trans	-114.4	46.2	-179.8	-64.2	-48.9	0	0	0	113.8	T152 N175	D144-T152 HydrophobicContact CB-CG2 4.36Å; D144-N175 PolarHBondContact OD1-N 2.96Å; D144-N175 WeakPolarHBondContact OD2-CB 3.15Å; D144-N175 PolarHBondContact OD2-N 3.36Å
145	P	97.8	Very high	98	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.032	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-64.4	144	174.1	28.5	-32.1	0	0	0	109	T119 H122 E142 V143 P153	T119-P145 HydrophobicContact CG2-CB 3.96Å; T119-P145 HydrophobicContact CG2-CG 4.08Å; H122-P145 PolarHBondContact CE1-O 3.15Å; H122-P145 PolarHBondContact NE2-O 3.02Å; H122-P145 VanDerWaalsContact NE2-O 3.16Å; E142-P145 HydrophobicContact CB-CB 4.23Å; E142-P145 HydrophobicContact CB-CG 4.29Å; E142-P145 VanDerWaalsContact O-CD 3.22Å; E142-P145 WeakPolarHBondContact O-CD 3.22Å; V143-P145 VanDerWaalsContact O-CD 3.25Å; V143-P145 WeakPolarHBondContact O-CD 3.35Å; P145-P153 HydrophobicContact CG-CG 3.93Å
146	L	97.6	Very high	98	Very high	83 Å²	83	45.9 Å²	45.9	44%	0.435	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-95.5	127.3	174	-59.5	177.3	0	0	0	110.3	K113 T152	K113-L146 PolarHBondContact NZ-O 3.41Å; L146-T152 HydrophobicContact CD2-CG2 3.7Å
147	S	98.3	Very high	98	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.042	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-63.1	170.3	157.6	56.6	0	0	0	0	111.4	G117 H122 K149 G150 T151	G117-S147 WeakPolarHBondContact O-CA 3.39Å; H122-S147 PolarHBondContact NE2-N 3.13Å; S147-K149 PolarHBondContact O-N 3.16Å; S147-K149 VanDerWaalsContact O-N 3.14Å; S147-G150 WeakPolarHBondContact O-CA 3.45Å; S147-G150 PolarHBondContact O-N 3.11Å; S147-T151 PolarHBondContact N-O 2.83Å; S147-T151 VanDerWaalsContact N-O 3.08Å; S147-T151 WeakPolarHBondContact OG-CA 3.36Å; S147-T151 WeakPolarHBondContact OG-CB 3.24Å; S147-T151 PolarHBondContact OG-N 3.46Å; S147-T151 PolarHBondContact OG-O 2.85Å
148	D	98.1	Very high	97.9	Very high	111 Å²	111	45.7 Å²	45.7	59%	0.594	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.1	-178.1	-62.6	-15.5	0	0	0	112.4	D116 G117 G150	D116-D148 VanDerWaalsContact C-OD2 3.22Å; D116-D148 PolarHBondContact O-N 3.14Å; D116-D148 VanDerWaalsContact O-N 3.12Å; G117-D148 WeakPolarHBondContact CA-OD1 3.29Å; G117-D148 PolarHBondContact N-OD2 3.26Å; G117-D148 VanDerWaalsContact N-OD2 3.17Å; D148-G150 VanDerWaalsContact C-N 3.29Å
149	K	96	Very high	97.7	Very high	171 Å²	171	43.9 Å²	43.9	74%	0.743	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	11.4	171.7	-61.3	-179.3	-177.2	172.6	0	113.1	S147 T151	S147-K149 PolarHBondContact O-N 3.16Å; S147-K149 VanDerWaalsContact O-N 3.14Å; K149-T151 PolarHBondContact O-N 3.08Å
150	G	95.8	Very high	97.7	Very high	20 Å²	20	47.4 Å²	47.4	21%	0.206	23%	0.233	C	C	.	.	S	Bend	trans	67.9	17.6	-179.5	0	0	0	0	0	114.5	S147 D148 Q179	S147-G150 WeakPolarHBondContact O-CA 3.45Å; S147-G150 PolarHBondContact O-N 3.11Å; D148-G150 VanDerWaalsContact C-N 3.29Å; G150-Q179 PolarHBondContact O-NE2 3.42Å
151	T	96.9	Very high	97.5	Very high	32 Å²	32	46.5 Å²	46.5	20%	0.196	23%	0.232	C	C	.	.			trans	-91.9	137.3	-179.1	-50.5	0	0	0	0	110.5	H122 S147 K149 Q155 L156	H122-T151 PolarHBondContact NE2-O 3.1Å; S147-T151 PolarHBondContact N-O 2.83Å; S147-T151 VanDerWaalsContact N-O 3.08Å; S147-T151 WeakPolarHBondContact OG-CA 3.36Å; S147-T151 WeakPolarHBondContact OG-CB 3.24Å; S147-T151 PolarHBondContact OG-N 3.46Å; S147-T151 PolarHBondContact OG-O 2.85Å; K149-T151 PolarHBondContact O-N 3.08Å; T151-Q155 VanDerWaalsContact CA-OE1 3.27Å; T151-Q155 HydrophobicContact CG2-CB 3.7Å; T151-L156 HydrophobicContact CG2-CD2 3.86Å; T151-L156 HydrophobicContact CG2-CG 3.86Å
152	T	98.3	Very high	97.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.245	C	C	.	.			trans	-91.1	164.3	173.8	67.7	0	0	0	0	113	D144 L146 L154 Q155 L156 I178	D144-T152 HydrophobicContact CB-CG2 4.36Å; L146-T152 HydrophobicContact CD2-CG2 3.7Å; T152-L154 VanDerWaalsContact C-N 3.28Å; T152-L154 PolarHBondContact O-N 2.83Å; T152-Q155 PolarHBondContact O-N 3.19Å; T152-Q155 PolarHBondContact OG1-N 3.48Å; T152-L156 PolarHBondContact O-N 3.45Å; T152-L156 VanDerWaalsContact O-N 3.14Å; T152-I178 HydrophobicContact CG2-CD1 4.29Å; T152-I178 HydrophobicContact CG2-CG1 3.89Å
153	P	98.7	Very high	97.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.9	-37.8	171.2	-25.4	35.4	0	0	0	113.4	L121 A125 P145 L156 A157 L169	L121-P153 HydrophobicContact CB-CG 4.22Å; L121-P153 HydrophobicContact CD2-CB 4.25Å; L121-P153 HydrophobicContact CD2-CG 3.94Å; L121-P153 HydrophobicContact CG-CB 3.91Å; L121-P153 HydrophobicContact CG-CG 3.86Å; A125-P153 HydrophobicContact CB-CB 3.91Å; A125-P153 WeakPolarHBondContact CB-O 3.39Å; P145-P153 HydrophobicContact CG-CG 3.93Å; P153-L156 PolarHBondContact O-N 2.92Å; P153-A157 PolarHBondContact O-N 2.81Å; P153-L169 HydrophobicContact CB-CD1 4.29Å; P153-L169 HydrophobicContact CB-CD2 4.4Å
154	L	98.5	Very high	97.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-45.1	177.6	177.5	58.9	0	0	0	111.5	T152 L156 A157 I158 V166 L169 L170 A174 L183	T152-L154 VanDerWaalsContact C-N 3.28Å; T152-L154 PolarHBondContact O-N 2.83Å; L154-L156 VanDerWaalsContact C-N 3.33Å; L154-L156 PolarHBondContact O-N 3.17Å; L154-A157 PolarHBondContact O-N 3.34Å; L154-I158 HydrophobicContact CD1-CD1 3.95Å; L154-I158 HydrophobicContact CD1-CG1 4.32Å; L154-I158 HydrophobicContact CG-CD1 3.96Å; L154-I158 VanDerWaalsContact O-CG1 3.31Å; L154-I158 WeakPolarHBondContact O-CG1 3.43Å; L154-I158 PolarHBondContact O-N 2.92Å; L154-V166 HydrophobicContact CD1-CB 4.38Å; L154-V166 HydrophobicContact CD1-CG1 3.84Å; L154-V166 HydrophobicContact CD1-CG2 4.49Å; L154-L169 HydrophobicContact CB-CD1 4.21Å; L154-L169 HydrophobicContact CD1-CB 4.15Å; L154-L169 HydrophobicContact CD1-CD1 4.39Å; L154-L170 HydrophobicContact CD1-CD2 4.37Å; L154-L170 HydrophobicContact CD1-CG 4.19Å; L154-L170 HydrophobicContact CD2-CD2 3.68Å; L154-L170 HydrophobicContact CD2-CG 4.37Å; L154-A174 HydrophobicContact CB-CB 4.3Å; L154-A174 HydrophobicContact CD2-CB 3.77Å; L154-L183 HydrophobicContact CD2-CD1 3.37Å; L154-L183 HydrophobicContact CG-CD1 3.76Å
155	Q	97.9	Very high	97.4	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.019	24%	0.236	C	C	.	.	H	α-helix	trans	-58	-45	174.3	-76.9	174.8	-45.8	0	0	111.7	T151 T152 I158 I159 I178 F182 L183	T151-Q155 VanDerWaalsContact CA-OE1 3.27Å; T151-Q155 HydrophobicContact CG2-CB 3.7Å; T152-Q155 PolarHBondContact O-N 3.19Å; T152-Q155 PolarHBondContact OG1-N 3.48Å; Q155-I158 PolarHBondContact O-N 2.85Å; Q155-I159 WeakPolarHBondContact O-CB 3.45Å; Q155-I159 VanDerWaalsContact O-CG1 3.28Å; Q155-I159 WeakPolarHBondContact O-CG1 3.16Å; Q155-I159 PolarHBondContact O-N 2.97Å; Q155-I178 HydrophobicContact CG-CG2 4.19Å; Q155-F182 HydrophobicContact CG-CD1 4.24Å; Q155-F182 HydrophobicContact CG-CE1 4.4Å; Q155-L183 HydrophobicContact CB-CD2 4.43Å; Q155-L183 HydrophobicContact CG-CD2 3.47Å; Q155-L183 VanDerWaalsContact CG-CD2 3.47Å
156	L	98	Very high	97.5	Very high	16 Å²	16	46.4 Å²	46.4	8%	0.084	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-43	176.7	-69.9	179	0	0	0	112.3	W118 H122 H126 T151 T152 P153 L154 I158 I159 R160	W118-L156 HydrophobicContact CD2-CD1 4.36Å; W118-L156 HydrophobicContact CE3-CD1 4.37Å; W118-L156 HydrophobicContact CH2-CD1 3.97Å; W118-L156 HydrophobicContact CH2-CD2 4.48Å; W118-L156 HydrophobicContact CZ2-CD1 3.88Å; W118-L156 HydrophobicContact CZ2-CD2 4.22Å; W118-L156 HydrophobicContact CZ3-CD1 4.19Å; H122-L156 HydrophobicContact CB-CD1 3.96Å; H126-L156 HydrophobicContact CB-CD1 4.43Å; T151-L156 HydrophobicContact CG2-CD2 3.86Å; T151-L156 HydrophobicContact CG2-CG 3.86Å; T152-L156 PolarHBondContact O-N 3.45Å; T152-L156 VanDerWaalsContact O-N 3.14Å; P153-L156 PolarHBondContact O-N 2.92Å; L154-L156 VanDerWaalsContact C-N 3.33Å; L154-L156 PolarHBondContact O-N 3.17Å; L156-I158 VanDerWaalsContact C-N 3.29Å; L156-I158 PolarHBondContact O-N 2.83Å; L156-I159 PolarHBondContact O-N 2.86Å; L156-R160 VanDerWaalsContact O-CB 3.29Å; L156-R160 WeakPolarHBondContact O-CB 3.48Å; L156-R160 VanDerWaalsContact O-CG 3.29Å; L156-R160 WeakPolarHBondContact O-CG 3.3Å; L156-R160 PolarHBondContact O-N 2.75Å
157	A	98.3	Very high	97.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-39.7	176.7	0	0	0	0	0	111.7	A125 P153 L154 E161 R162 C165 V166 L169	A125-A157 HydrophobicContact CB-CB 4.27Å; P153-A157 PolarHBondContact O-N 2.81Å; L154-A157 PolarHBondContact O-N 3.34Å; A157-E161 PolarHBondContact O-N 3.26Å; A157-E161 VanDerWaalsContact O-N 3.13Å; A157-R162 HydrophobicContact CB-CB 4.2Å; A157-R162 PolarHBondContact O-N 3.39Å; A157-C165 HydrophobicContact CB-CB 3.91Å; A157-V166 HydrophobicContact CB-CG2 3.71Å; A157-L169 HydrophobicContact CB-CD1 4.15Å
158	I	97	Very high	97.5	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-52	177.6	-68.5	164.9	0	0	0	110.9	L154 Q155 L156 R160 E161 V166 L183 Y186 Y195 F199	L154-I158 HydrophobicContact CD1-CD1 3.95Å; L154-I158 HydrophobicContact CD1-CG1 4.32Å; L154-I158 HydrophobicContact CG-CD1 3.96Å; L154-I158 VanDerWaalsContact O-CG1 3.31Å; L154-I158 WeakPolarHBondContact O-CG1 3.43Å; L154-I158 PolarHBondContact O-N 2.92Å; Q155-I158 PolarHBondContact O-N 2.85Å; L156-I158 VanDerWaalsContact C-N 3.29Å; L156-I158 PolarHBondContact O-N 2.83Å; I158-R160 PolarHBondContact O-N 3.08Å; I158-E161 PolarHBondContact O-N 3.48Å; I158-V166 HydrophobicContact CG1-CG1 4.14Å; I158-V166 HydrophobicContact CG1-CG2 3.66Å; I158-L183 HydrophobicContact CD1-CB 4.04Å; I158-L183 HydrophobicContact CD1-CD1 3.7Å; I158-L183 HydrophobicContact CD1-CD2 3.5Å; I158-L183 VanDerWaalsContact CD1-CD2 3.5Å; I158-L183 HydrophobicContact CD1-CG 3.93Å; I158-Y186 HydrophobicContact CG2-CD1 3.84Å; I158-Y186 HydrophobicContact CG2-CE1 4.06Å; I158-Y195 HydrophobicContact CB-CE2 4.39Å; I158-Y195 HydrophobicContact CG2-CD2 4.01Å; I158-Y195 HydrophobicContact CG2-CE2 3.9Å; I158-F199 HydrophobicContact CD1-CE1 3.97Å; I158-F199 HydrophobicContact CD1-CE2 4.19Å; I158-F199 HydrophobicContact CD1-CZ 3.37Å; I158-F199 HydrophobicContact CG1-CE1 4.45Å; I158-F199 HydrophobicContact CG1-CZ 3.81Å; I158-F199 HydrophobicContact CG2-CZ 4.45Å
159	I	95.4	Very high	97.5	Very high	70 Å²	70	42.4 Å²	42.4	36%	0.359	21%	0.208	S	C	.	.	H	α-helix	trans	-60.8	-32.4	-179.4	-68	164.9	0	0	0	111.3	Q155 L156 Y186	Q155-I159 WeakPolarHBondContact O-CB 3.45Å; Q155-I159 VanDerWaalsContact O-CG1 3.28Å; Q155-I159 WeakPolarHBondContact O-CG1 3.16Å; Q155-I159 PolarHBondContact O-N 2.97Å; L156-I159 PolarHBondContact O-N 2.86Å; I159-Y186 HydrophobicContact CG1-CE2 4.37Å
160	R	96.7	Very high	97.6	Very high	110 Å²	110	35.1 Å²	35.1	42%	0.415	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	10.1	177.8	-60.2	-53.1	-56.8	-107.3	3.8	113.9	H126 L156 I158 R162	H126-R160 PolarHBondContact CE1-NH1 3.17Å; H126-R160 PolarHBondContact NE2-NH1 3.02Å; L156-R160 VanDerWaalsContact O-CB 3.29Å; L156-R160 WeakPolarHBondContact O-CB 3.48Å; L156-R160 VanDerWaalsContact O-CG 3.29Å; L156-R160 WeakPolarHBondContact O-CG 3.3Å; L156-R160 PolarHBondContact O-N 2.75Å; I158-R160 PolarHBondContact O-N 3.08Å; R160-R162 HydrophobicContact CB-CG 3.92Å; R160-R162 VanDerWaalsContact O-CD 3.26Å; R160-R162 WeakPolarHBondContact O-CD 3.45Å; R160-R162 PolarHBondContact O-N 2.89Å; R160-R162 PolarHBondContact O-NE 2.83Å
161	E	95.8	Very high	97.7	Very high	147 Å²	147	38.6 Å²	38.6	69%	0.687	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	32.9	177	-60.4	179.6	-169.3	0	0	114	A157 I158 S163 Y195	A157-E161 PolarHBondContact O-N 3.26Å; A157-E161 VanDerWaalsContact O-N 3.13Å; I158-E161 PolarHBondContact O-N 3.48Å; E161-S163 VanDerWaalsContact C-N 3.28Å; E161-S163 PolarHBondContact O-N 2.9Å; E161-Y195 WeakPolarHBondContact CA-OH 3.36Å
162	R	97.9	Very high	97.8	Very high	85 Å²	85	40.5 Å²	40.5	32%	0.321	20%	0.198	S	C	.	.			trans	-85.1	66.7	179.6	-51.5	-50.5	-171.8	-168.3	-0	110.9	A125 H126 A157 R160 S164 C165 V166	A125-R162 WeakPolarHBondContact O-CG 3.39Å; H126-R162 PolarHBondContact O-NE 3.13Å; A157-R162 HydrophobicContact CB-CB 4.2Å; A157-R162 PolarHBondContact O-N 3.39Å; R160-R162 HydrophobicContact CB-CG 3.92Å; R160-R162 VanDerWaalsContact O-CD 3.26Å; R160-R162 WeakPolarHBondContact O-CD 3.45Å; R160-R162 PolarHBondContact O-N 2.89Å; R160-R162 PolarHBondContact O-NE 2.83Å; R162-S164 PolarHBondContact O-N 3.49Å; R162-S164 VanDerWaalsContact O-N 3.11Å; R162-C165 HydrophobicContact CB-CB 3.91Å; R162-C165 WeakPolarHBondContact O-CB 3.27Å; R162-C165 PolarHBondContact O-N 3.05Å; R162-V166 WeakPolarHBondContact O-CG2 3.36Å; R162-V166 PolarHBondContact O-N 3.48Å
163	S	96.6	Very high	97.6	Very high	57 Å²	57	47.4 Å²	47.4	40%	0.399	24%	0.235	S	C	.	.	H	α-helix	trans	-51.3	-38.6	-173.1	-70.1	0	0	0	0	114.3	E161 V166 K167 Y195	E161-S163 VanDerWaalsContact C-N 3.28Å; E161-S163 PolarHBondContact O-N 2.9Å; S163-V166 PolarHBondContact O-N 3.46Å; S163-K167 WeakPolarHBondContact O-CG 3.39Å; S163-K167 PolarHBondContact O-N 2.97Å; S163-K167 VanDerWaalsContact O-N 3.11Å; S163-Y195 PolarHBondContact N-OH 2.9Å; S163-Y195 WeakPolarHBondContact OG-CE1 3.34Å; S163-Y195 PolarHBondContact OG-OH 2.93Å
164	S	98.1	Very high	97.6	Very high	60 Å²	60	47.7 Å²	47.7	42%	0.42	24%	0.237	S	C	.	.	H	α-helix	trans	-65.6	-47.7	175.9	-64.2	0	0	0	0	112.5	D130 R162 V166 K167 I168	D130-S164 VanDerWaalsContact OD1-CB 3.27Å; D130-S164 WeakPolarHBondContact OD1-CB 3.39Å; D130-S164 WeakPolarHBondContact OD2-CB 3.47Å; D130-S164 PolarHBondContact OD2-OG 3.27Å; R162-S164 PolarHBondContact O-N 3.49Å; R162-S164 VanDerWaalsContact O-N 3.11Å; S164-V166 VanDerWaalsContact C-N 3.29Å; S164-V166 PolarHBondContact O-N 3.11Å; S164-K167 PolarHBondContact O-N 3.02Å; S164-I168 WeakPolarHBondContact O-CD1 3.44Å; S164-I168 VanDerWaalsContact O-CG1 3.25Å; S164-I168 WeakPolarHBondContact O-CG1 3.4Å; S164-I168 PolarHBondContact O-N 2.85Å
165	C	98.6	Very high	97.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.8	-40.9	172.5	-72.1	0	0	0	0	112.2	D130 A157 R162 K167 I168 L169	D130-C165 PolarHBondContact OD1-N 3.19Å; D130-C165 PolarHBondContact OD1-SG 3.14Å; A157-C165 HydrophobicContact CB-CB 3.91Å; R162-C165 HydrophobicContact CB-CB 3.91Å; R162-C165 WeakPolarHBondContact O-CB 3.27Å; R162-C165 PolarHBondContact O-N 3.05Å; C165-K167 PolarHBondContact O-N 3.32Å; C165-I168 PolarHBondContact O-N 3.39Å; C165-L169 WeakPolarHBondContact O-CB 3.24Å; C165-L169 WeakPolarHBondContact O-CG 3.34Å; C165-L169 PolarHBondContact O-N 2.96Å
166	V	98.2	Very high	97.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.7	-48	177.8	177.9	0	0	0	0	110.6	L154 A157 I158 R162 S163 S164 I168 L169 L170 M198 F199	L154-V166 HydrophobicContact CD1-CB 4.38Å; L154-V166 HydrophobicContact CD1-CG1 3.84Å; L154-V166 HydrophobicContact CD1-CG2 4.49Å; A157-V166 HydrophobicContact CB-CG2 3.71Å; I158-V166 HydrophobicContact CG1-CG1 4.14Å; I158-V166 HydrophobicContact CG1-CG2 3.66Å; R162-V166 WeakPolarHBondContact O-CG2 3.36Å; R162-V166 PolarHBondContact O-N 3.48Å; S163-V166 PolarHBondContact O-N 3.46Å; S164-V166 VanDerWaalsContact C-N 3.29Å; S164-V166 PolarHBondContact O-N 3.11Å; V166-I168 PolarHBondContact O-N 3.26Å; V166-L169 PolarHBondContact O-N 3.03Å; V166-L170 HydrophobicContact CG1-CD1 3.88Å; V166-L170 HydrophobicContact CG1-CG 4.48Å; V166-L170 WeakPolarHBondContact O-CB 3.44Å; V166-L170 VanDerWaalsContact O-CG 3.3Å; V166-L170 WeakPolarHBondContact O-CG 3.13Å; V166-L170 PolarHBondContact O-N 3.26Å; V166-M198 HydrophobicContact CB-CE 4.09Å; V166-M198 HydrophobicContact CG1-CE 3.26Å; V166-M198 HydrophobicContact CG1-SD 4.4Å; V166-F199 HydrophobicContact CG1-CE1 3.89Å
167	K	98.3	Very high	97.4	Very high	107 Å²	107	53 Å²	53	47%	0.465	27%	0.266	S	S	.	.	H	α-helix	trans	-58.9	-49.2	176.5	-70.1	173.6	-177.1	179.7	0	111.5	S163 S164 C165 L169 L170 D171 M198	S163-K167 WeakPolarHBondContact O-CG 3.39Å; S163-K167 PolarHBondContact O-N 2.97Å; S163-K167 VanDerWaalsContact O-N 3.11Å; S164-K167 PolarHBondContact O-N 3.02Å; C165-K167 PolarHBondContact O-N 3.32Å; K167-L169 PolarHBondContact O-N 3.49Å; K167-L170 PolarHBondContact O-N 3.36Å; K167-D171 WeakPolarHBondContact O-CB 3.43Å; K167-D171 PolarHBondContact O-N 3.25Å; K167-M198 HydrophobicContact CG-SD 3.7Å
168	I	98.6	Very high	97	Very high	10 Å²	10	54.4 Å²	54.4	5%	0.051	27%	0.273	C	S	.	.	H	α-helix	trans	-59.1	-47	-179.5	-63.3	158.6	0	0	0	110.9	D130 V133 R134 L137 S164 C165 V166 L170 D171 H172	D130-I168 HydrophobicContact CB-CD1 3.79Å; V133-I168 HydrophobicContact CG1-CB 4.28Å; V133-I168 HydrophobicContact CG1-CG2 3.7Å; R134-I168 HydrophobicContact CG-CD1 4.19Å; R134-I168 HydrophobicContact CG-CG1 4.27Å; R134-I168 HydrophobicContact CG-CG2 3.67Å; L137-I168 HydrophobicContact CD1-CG2 3.8Å; S164-I168 WeakPolarHBondContact O-CD1 3.44Å; S164-I168 VanDerWaalsContact O-CG1 3.25Å; S164-I168 WeakPolarHBondContact O-CG1 3.4Å; S164-I168 PolarHBondContact O-N 2.85Å; C165-I168 PolarHBondContact O-N 3.39Å; V166-I168 PolarHBondContact O-N 3.26Å; I168-L170 PolarHBondContact O-N 3.41Å; I168-D171 PolarHBondContact O-N 2.89Å; I168-H172 PolarHBondContact O-CD2 3.29Å; I168-H172 VanDerWaalsContact O-CD2 3.25Å; I168-H172 PolarHBondContact O-N 3.07Å; I168-H172 VanDerWaalsContact O-N 3.11Å
169	L	98.7	Very high	96.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-43.9	-179.7	-73	165	0	0	0	111.5	L121 A125 V133 L137 P153 L154 A157 C165 V166 K167 H172 N173 A174	L121-L169 HydrophobicContact CD1-CD2 4.2Å; L121-L169 HydrophobicContact CD2-CD2 4.11Å; L121-L169 HydrophobicContact CG-CD2 4.35Å; A125-L169 HydrophobicContact CB-CD1 4.27Å; V133-L169 HydrophobicContact CG1-CD2 4.1Å; V133-L169 HydrophobicContact CG1-CG 4.14Å; L137-L169 HydrophobicContact CD1-CD2 4.26Å; P153-L169 HydrophobicContact CB-CD1 4.29Å; P153-L169 HydrophobicContact CB-CD2 4.4Å; L154-L169 HydrophobicContact CB-CD1 4.21Å; L154-L169 HydrophobicContact CD1-CB 4.15Å; L154-L169 HydrophobicContact CD1-CD1 4.39Å; A157-L169 HydrophobicContact CB-CD1 4.15Å; C165-L169 WeakPolarHBondContact O-CB 3.24Å; C165-L169 WeakPolarHBondContact O-CG 3.34Å; C165-L169 PolarHBondContact O-N 2.96Å; V166-L169 PolarHBondContact O-N 3.03Å; K167-L169 PolarHBondContact O-N 3.49Å; L169-H172 CarbonylContact O-C 3.53Å; L169-H172 VanDerWaalsContact O-C 3.31Å; L169-H172 WeakPolarHBondContact O-CA 3.39Å; L169-H172 PolarHBondContact O-N 3.28Å; L169-H172 VanDerWaalsContact O-N 3.12Å; L169-N173 PolarHBondContact O-N 3.42Å; L169-A174 HydrophobicContact CB-CB 3.98Å; L169-A174 WeakPolarHBondContact O-CB 3.49Å; L169-A174 PolarHBondContact O-N 3.24Å
170	L	97.8	Very high	96.4	Very high	17 Å²	17	58.2 Å²	58.2	9%	0.089	29%	0.291	C	S	.	.	H	α-helix	trans	-66.4	-35.2	176.1	-67.7	172.5	0	0	0	112.5	L154 V166 K167 I168 H172 N173 I176 F199 R202	L154-L170 HydrophobicContact CD1-CD2 4.37Å; L154-L170 HydrophobicContact CD1-CG 4.19Å; L154-L170 HydrophobicContact CD2-CD2 3.68Å; L154-L170 HydrophobicContact CD2-CG 4.37Å; V166-L170 HydrophobicContact CG1-CD1 3.88Å; V166-L170 HydrophobicContact CG1-CG 4.48Å; V166-L170 WeakPolarHBondContact O-CB 3.44Å; V166-L170 VanDerWaalsContact O-CG 3.3Å; V166-L170 WeakPolarHBondContact O-CG 3.13Å; V166-L170 PolarHBondContact O-N 3.26Å; K167-L170 PolarHBondContact O-N 3.36Å; I168-L170 PolarHBondContact O-N 3.41Å; L170-H172 PolarHBondContact O-N 3Å; L170-N173 PolarHBondContact O-N 3.05Å; L170-I176 HydrophobicContact CD1-CD1 4.37Å; L170-I176 HydrophobicContact CD2-CB 4.04Å; L170-I176 HydrophobicContact CD2-CD1 3.86Å; L170-I176 HydrophobicContact CD2-CG1 3.93Å; L170-F199 HydrophobicContact CD1-CD1 4.13Å; L170-F199 HydrophobicContact CD1-CE1 4.19Å; L170-R202 HydrophobicContact CD1-CG 4.33Å
171	D	97.6	Very high	96.2	Very high	94 Å²	94	53 Å²	53	50%	0.503	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-22.5	174	-65	-15	0	0	0	111.9	K167 I168 R202	K167-D171 WeakPolarHBondContact O-CB 3.43Å; K167-D171 PolarHBondContact O-N 3.25Å; I168-D171 PolarHBondContact O-N 2.89Å; D171-R202 IonicContact OD1-CZ 2.87Å; D171-R202 IonicContact OD1-NH1 3.94Å; D171-R202 PolarHBondContact OD1-NH1 3.32Å; D171-R202 IonicContact OD1-NH2 3.31Å; D171-R202 PolarHBondContact OD1-NH2 2.76Å
172	H	98.1	Very high	96	Very high	71 Å²	71	49 Å²	49	33%	0.329	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	30.2	175	-76.7	-96.3	0	0	0	112.8	L137 I168 L169 L170 A174	L137-H172 HydrophobicContact CD1-CB 3.86Å; L137-H172 HydrophobicContact CD2-CB 4.2Å; L137-H172 HydrophobicContact CG-CB 4.43Å; I168-H172 PolarHBondContact O-CD2 3.29Å; I168-H172 VanDerWaalsContact O-CD2 3.25Å; I168-H172 PolarHBondContact O-N 3.07Å; I168-H172 VanDerWaalsContact O-N 3.11Å; L169-H172 CarbonylContact O-C 3.53Å; L169-H172 VanDerWaalsContact O-C 3.31Å; L169-H172 WeakPolarHBondContact O-CA 3.39Å; L169-H172 PolarHBondContact O-N 3.28Å; L169-H172 VanDerWaalsContact O-N 3.12Å; L170-H172 PolarHBondContact O-N 3Å; H172-A174 VanDerWaalsContact C-N 3.32Å; H172-A174 PolarHBondContact O-N 2.93Å
173	N	95.9	Very high	95.9	Very high	145 Å²	145	45 Å²	45	78%	0.775	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	26	171.1	-53.4	99.1	0	0	0	115.5	L169 L170 N175	L169-N173 PolarHBondContact O-N 3.42Å; L170-N173 PolarHBondContact O-N 3.05Å; N173-N175 PolarHBondContact O-N 3.42Å
174	A	98	Very high	96	Very high	7 Å²	7	42.3 Å²	42.3	6%	0.058	22%	0.218	C	C	.	.			trans	-57.5	133.3	168.5	0	0	0	0	0	110.3	V143 L154 L169 H172 I176	V143-A174 VanDerWaalsContact CG1-CA 3.49Å; V143-A174 HydrophobicContact CG1-CB 3.56Å; L154-A174 HydrophobicContact CB-CB 4.3Å; L154-A174 HydrophobicContact CD2-CB 3.77Å; L169-A174 HydrophobicContact CB-CB 3.98Å; L169-A174 WeakPolarHBondContact O-CB 3.49Å; L169-A174 PolarHBondContact O-N 3.24Å; H172-A174 VanDerWaalsContact C-N 3.32Å; H172-A174 PolarHBondContact O-N 2.93Å; A174-I176 PolarHBondContact O-N 3.44Å; A174-I176 VanDerWaalsContact O-N 3.11Å
175	N	97.2	Very high	95.9	Very high	75 Å²	75	40.2 Å²	40.2	40%	0.401	20%	0.201	S	C	.	.			trans	-67.2	111.9	-175.7	-175.7	-1.7	0	0	0	111.1	D144 N173 D177	D144-N175 PolarHBondContact OD1-N 2.96Å; D144-N175 WeakPolarHBondContact OD2-CB 3.15Å; D144-N175 PolarHBondContact OD2-N 3.36Å; N173-N175 PolarHBondContact O-N 3.42Å; N175-D177 VanDerWaalsContact C-N 3.31Å; N175-D177 PolarHBondContact O-N 3.45Å; N175-D177 PolarHBondContact OD1-N 3.3Å
176	I	96.1	Very high	95.8	Very high	17 Å²	17	42.8 Å²	42.8	9%	0.087	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-24.4	-177.8	-157.7	163.9	0	0	0	113.2	L170 A174 L183 F199 R202 A204	L170-I176 HydrophobicContact CD1-CD1 4.37Å; L170-I176 HydrophobicContact CD2-CB 4.04Å; L170-I176 HydrophobicContact CD2-CD1 3.86Å; L170-I176 HydrophobicContact CD2-CG1 3.93Å; A174-I176 PolarHBondContact O-N 3.44Å; A174-I176 VanDerWaalsContact O-N 3.11Å; I176-L183 HydrophobicContact CG1-CD1 4.34Å; I176-L183 VanDerWaalsContact O-CD1 3.31Å; I176-L183 WeakPolarHBondContact O-CD1 3.31Å; I176-L183 WeakPolarHBondContact O-CG 3.26Å; I176-F199 HydrophobicContact CD1-CB 3.8Å; I176-F199 HydrophobicContact CD1-CD1 3.92Å; I176-F199 HydrophobicContact CD1-CG 4.17Å; I176-F199 WeakPolarHBondContact CD1-O 3.44Å; I176-F199 HydrophobicContact CG1-CB 4.33Å; I176-F199 HydrophobicContact CG1-CD1 4.28Å; I176-F199 HydrophobicContact CG1-CG 4.43Å; I176-R202 HydrophobicContact CD1-CB 3.61Å; I176-A204 HydrophobicContact CD1-CB 4.06Å; I176-A204 HydrophobicContact CG1-CB 4.11Å; I176-A204 HydrophobicContact CG2-CB 4.2Å
177	D	96.2	Very high	95.7	Very high	40 Å²	40	42.8 Å²	42.8	21%	0.214	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	21.5	-178.2	-65.9	-40.5	0	0	0	112.5	N175 N180 G181 D205 L208	N175-D177 VanDerWaalsContact C-N 3.31Å; N175-D177 PolarHBondContact O-N 3.45Å; N175-D177 PolarHBondContact OD1-N 3.3Å; D177-N180 PolarHBondContact O-N 2.92Å; D177-G181 PolarHBondContact O-N 3.32Å; D177-D205 PolarHBondContact OD1-N 2.74Å; D177-D205 PolarHBondContact OD2-N 2.79Å; D177-L208 HydrophobicContact CB-CD1 3.73Å
178	I	91.4	Very high	95.7	Very high	29 Å²	29	37.7 Å²	37.7	15%	0.149	19%	0.189	C	C	.	.	H	α-helix	trans	-52.8	143.4	175.7	-162.1	68.2	0	0	0	111.4	T152 Q155 N180 G181 F182 L183	T152-I178 HydrophobicContact CG2-CD1 4.29Å; T152-I178 HydrophobicContact CG2-CG1 3.89Å; Q155-I178 HydrophobicContact CG-CG2 4.19Å; I178-N180 VanDerWaalsContact C-N 3.3Å; I178-N180 PolarHBondContact O-N 2.81Å; I178-G181 PolarHBondContact O-N 3.1Å; I178-F182 PolarHBondContact O-N 2.94Å; I178-F182 VanDerWaalsContact O-N 3.1Å; I178-L183 HydrophobicContact CG2-CD1 4.31Å; I178-L183 HydrophobicContact CG2-CD2 4.1Å; I178-L183 HydrophobicContact CG2-CG 4.06Å
179	Q	87.2	Confident	95.5	Very high	90 Å²	90	40.4 Å²	40.4	42%	0.421	20%	0.203	S	C	.	.	H	α-helix	trans	51.3	50.4	-176.8	-65.8	177.6	-7.3	0	0	112.2	G150 G181 F182 R185	G150-Q179 PolarHBondContact O-NE2 3.42Å; Q179-G181 PolarHBondContact O-N 3.38Å; Q179-F182 HydrophobicContact CB-CB 4.03Å; Q179-R185 PolarHBondContact O-NH2 3.07Å
180	N	91.9	Very high	95.4	Very high	62 Å²	62	46.4 Å²	46.4	33%	0.332	23%	0.229	S	C	.	.	H	α-helix	trans	56.3	46.3	178.4	-160.9	43.3	0	0	0	112	D177 I178 R185 L208 G209 L211	D177-N180 PolarHBondContact O-N 2.92Å; I178-N180 VanDerWaalsContact C-N 3.3Å; I178-N180 PolarHBondContact O-N 2.81Å; N180-R185 PolarHBondContact O-NH1 2.84Å; N180-R185 PolarHBondContact O-NH2 3.25Å; N180-L208 WeakPolarHBondContact O-CB 3.44Å; N180-G209 PolarHBondContact ND2-O 3.33Å; N180-L211 HydrophobicContact CB-CD2 4.38Å
181	G	91.5	Very high	95.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	82	27.6	177.1	0	0	0	0	0	115.8	D177 I178 Q179 L183 R185	D177-G181 PolarHBondContact O-N 3.32Å; I178-G181 PolarHBondContact O-N 3.1Å; Q179-G181 PolarHBondContact O-N 3.38Å; G181-L183 VanDerWaalsContact C-N 3.27Å; G181-L183 PolarHBondContact O-N 3.21Å; G181-R185 PolarHBondContact O-N 2.88Å
182	F	92.8	Very high	95.2	Very high	63 Å²	63	45.2 Å²	45.2	28%	0.276	23%	0.226	S	C	.	.	H	α-helix	trans	-56.1	-39.5	-178.4	171.2	-89.9	0	0	0	112.9	Q155 I178 Q179 R185 Y186	Q155-F182 HydrophobicContact CG-CD1 4.24Å; Q155-F182 HydrophobicContact CG-CE1 4.4Å; I178-F182 PolarHBondContact O-N 2.94Å; I178-F182 VanDerWaalsContact O-N 3.1Å; Q179-F182 HydrophobicContact CB-CB 4.03Å; F182-R185 PolarHBondContact O-N 3.12Å; F182-Y186 HydrophobicContact CE1-CD2 4.15Å; F182-Y186 HydrophobicContact CE1-CG 4.24Å; F182-Y186 AromaticContact CZ-CD2 3.74Å; F182-Y186 HydrophobicContact CZ-CD2 3.74Å; F182-Y186 HydrophobicContact CZ-CG 4.27Å; F182-Y186 VanDerWaalsContact O-CB 3.31Å; F182-Y186 WeakPolarHBondContact O-CB 3.29Å; F182-Y186 PolarHBondContact O-N 2.87Å
183	L	95.9	Very high	95.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-48	-171.2	-53	-175.5	0	0	0	112.6	L154 Q155 I158 I176 I178 G181 Y186 A187 F199	L154-L183 HydrophobicContact CD2-CD1 3.37Å; L154-L183 HydrophobicContact CG-CD1 3.76Å; Q155-L183 HydrophobicContact CB-CD2 4.43Å; Q155-L183 HydrophobicContact CG-CD2 3.47Å; Q155-L183 VanDerWaalsContact CG-CD2 3.47Å; I158-L183 HydrophobicContact CD1-CB 4.04Å; I158-L183 HydrophobicContact CD1-CD1 3.7Å; I158-L183 HydrophobicContact CD1-CD2 3.5Å; I158-L183 VanDerWaalsContact CD1-CD2 3.5Å; I158-L183 HydrophobicContact CD1-CG 3.93Å; I176-L183 HydrophobicContact CG1-CD1 4.34Å; I176-L183 VanDerWaalsContact O-CD1 3.31Å; I176-L183 WeakPolarHBondContact O-CD1 3.31Å; I176-L183 WeakPolarHBondContact O-CG 3.26Å; I178-L183 HydrophobicContact CG2-CD1 4.31Å; I178-L183 HydrophobicContact CG2-CD2 4.1Å; I178-L183 HydrophobicContact CG2-CG 4.06Å; G181-L183 VanDerWaalsContact C-N 3.27Å; G181-L183 PolarHBondContact O-N 3.21Å; L183-Y186 PolarHBondContact O-N 3.29Å; L183-A187 PolarHBondContact O-N 3.14Å; L183-F199 HydrophobicContact CB-CD2 4.3Å; L183-F199 HydrophobicContact CB-CE2 3.99Å; L183-F199 HydrophobicContact CB-CZ 4.39Å; L183-F199 WeakPolarHBondContact O-CE2 3.16Å
184	L	97.6	Very high	95.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-46.2	179	-179.7	57.9	0	0	0	110.8	Y186 A187 V188 F199 L200 A204 T206 P217 L233	L184-Y186 VanDerWaalsContact C-N 3.34Å; L184-Y186 PolarHBondContact O-N 2.77Å; L184-A187 PolarHBondContact O-N 3.26Å; L184-V188 VanDerWaalsContact O-CG2 3.24Å; L184-V188 WeakPolarHBondContact O-CG2 3.31Å; L184-V188 PolarHBondContact O-N 3.04Å; L184-F199 HydrophobicContact CD1-CB 4.35Å; L184-L200 HydrophobicContact CD1-CD2 4.1Å; L184-L200 HydrophobicContact CD1-CG 4.12Å; L184-L200 HydrophobicContact CD2-CD2 3.84Å; L184-A204 HydrophobicContact CB-CB 4.35Å; L184-A204 HydrophobicContact CD2-CB 4.11Å; L184-T206 HydrophobicContact CD2-CG2 4.37Å; L184-P217 HydrophobicContact CD2-CB 4.23Å; L184-P217 HydrophobicContact CD2-CG 3.81Å; L184-P217 HydrophobicContact CG-CB 4.24Å; L184-P217 HydrophobicContact CG-CG 3.97Å; L184-L233 HydrophobicContact CD1-CD2 4.26Å; L184-L233 HydrophobicContact CD2-CD2 3.97Å; L184-L233 HydrophobicContact CG-CD2 4.34Å
185	R	96.5	Very high	95.1	Very high	16 Å²	16	42 Å²	42	6%	0.06	22%	0.215	C	C	.	.	H	α-helix	trans	-60.9	-41.6	175.4	-69	-168	-63.1	-90.2	-1.3	112.7	Q179 N180 G181 F182 A187 V188 I189 L208 G209 R210 P217 L220	Q179-R185 PolarHBondContact O-NH2 3.07Å; N180-R185 PolarHBondContact O-NH1 2.84Å; N180-R185 PolarHBondContact O-NH2 3.25Å; G181-R185 PolarHBondContact O-N 2.88Å; F182-R185 PolarHBondContact O-N 3.12Å; R185-A187 VanDerWaalsContact C-N 3.34Å; R185-A187 PolarHBondContact O-N 2.97Å; R185-V188 PolarHBondContact O-N 3.36Å; R185-I189 VanDerWaalsContact O-CG1 3.26Å; R185-I189 WeakPolarHBondContact O-CG1 3.29Å; R185-I189 PolarHBondContact O-N 3.27Å; R185-L208 PolarHBondContact NH1-O 3.13Å; R185-G209 PolarHBondContact NH1-O 3.14Å; R185-R210 VanDerWaalsContact CD-CG 3.45Å; R185-P217 HydrophobicContact CG-CG 3.83Å; R185-L220 HydrophobicContact CB-CD1 3.82Å; R185-L220 HydrophobicContact CG-CD1 3.83Å
186	Y	95.7	Very high	95.2	Very high	54 Å²	54	38.4 Å²	38.4	21%	0.212	20%	0.196	C	C	.	.	H	α-helix	trans	-60.2	-44.9	176.6	-177.3	-89	0	0	0	111.2	I158 I159 F182 L183 L184 V188 I189 K190	I158-Y186 HydrophobicContact CG2-CD1 3.84Å; I158-Y186 HydrophobicContact CG2-CE1 4.06Å; I159-Y186 HydrophobicContact CG1-CE2 4.37Å; F182-Y186 HydrophobicContact CE1-CD2 4.15Å; F182-Y186 HydrophobicContact CE1-CG 4.24Å; F182-Y186 AromaticContact CZ-CD2 3.74Å; F182-Y186 HydrophobicContact CZ-CD2 3.74Å; F182-Y186 HydrophobicContact CZ-CG 4.27Å; F182-Y186 VanDerWaalsContact O-CB 3.31Å; F182-Y186 WeakPolarHBondContact O-CB 3.29Å; F182-Y186 PolarHBondContact O-N 2.87Å; L183-Y186 PolarHBondContact O-N 3.29Å; L184-Y186 VanDerWaalsContact C-N 3.34Å; L184-Y186 PolarHBondContact O-N 2.77Å; Y186-V188 VanDerWaalsContact C-N 3.34Å; Y186-V188 PolarHBondContact O-N 2.97Å; Y186-I189 PolarHBondContact O-N 3.08Å; Y186-K190 HydrophobicContact CD1-CG 4.15Å; Y186-K190 HydrophobicContact CE1-CG 3.75Å; Y186-K190 HydrophobicContact CE2-CG 4.43Å; Y186-K190 WeakPolarHBondContact O-CB 3.33Å; Y186-K190 WeakPolarHBondContact O-CG 3.5Å; Y186-K190 PolarHBondContact O-N 3.49Å
187	A	97.1	Very high	95.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-40.3	176.6	0	0	0	0	0	112.3	L183 L184 R185 K190 S191 N192 C196 F199	L183-A187 PolarHBondContact O-N 3.14Å; L184-A187 PolarHBondContact O-N 3.26Å; R185-A187 VanDerWaalsContact C-N 3.34Å; R185-A187 PolarHBondContact O-N 2.97Å; A187-K190 CarbonylContact O-C 3.3Å; A187-K190 PolarHBondContact O-N 3.35Å; A187-S191 PolarHBondContact O-N 3.24Å; A187-S191 VanDerWaalsContact O-N 3.09Å; A187-N192 PolarHBondContact O-N 3.31Å; A187-C196 VanDerWaalsContact C-SG 3.54Å; A187-C196 VanDerWaalsContact CB-SG 3.57Å; A187-F199 HydrophobicContact CB-CD2 4.14Å; A187-F199 HydrophobicContact CB-CE2 3.89Å
188	V	97.5	Very high	95.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-48.8	175	175.2	0	0	0	0	111.2	L184 R185 Y186 K190 S191 P217 L220 S221 L233	L184-V188 VanDerWaalsContact O-CG2 3.24Å; L184-V188 WeakPolarHBondContact O-CG2 3.31Å; L184-V188 PolarHBondContact O-N 3.04Å; R185-V188 PolarHBondContact O-N 3.36Å; Y186-V188 VanDerWaalsContact C-N 3.34Å; Y186-V188 PolarHBondContact O-N 2.97Å; V188-K190 PolarHBondContact O-N 3.22Å; V188-S191 PolarHBondContact O-N 3.46Å; V188-P217 HydrophobicContact CG2-CB 4.2Å; V188-L220 HydrophobicContact CG1-CB 3.8Å; V188-S221 VanDerWaalsContact CG1-OG 3.29Å; V188-S221 WeakPolarHBondContact CG1-OG 3.35Å; V188-L233 HydrophobicContact CG2-CD1 4.3Å
189	I	95.8	Very high	95.6	Very high	67 Å²	67	41.2 Å²	41.2	34%	0.344	20%	0.202	S	C	.	.	H	α-helix	trans	-60.5	-35.3	180	-70.5	163.7	0	0	0	111.2	R185 Y186 S191 L220 R224	R185-I189 VanDerWaalsContact O-CG1 3.26Å; R185-I189 WeakPolarHBondContact O-CG1 3.29Å; R185-I189 PolarHBondContact O-N 3.27Å; Y186-I189 PolarHBondContact O-N 3.08Å; I189-S191 VanDerWaalsContact C-N 3.29Å; I189-L220 HydrophobicContact CD1-CD1 4.01Å; I189-L220 HydrophobicContact CG1-CD1 4.01Å; I189-R224 PolarHBondContact O-NE 3.12Å; I189-R224 PolarHBondContact O-NH2 3.11Å
190	K	95.8	Very high	96.1	Very high	125 Å²	125	37.2 Å²	37.2	54%	0.543	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.4	176.1	-63.5	-57.6	-175.8	-177.8	0	113.8	Y186 A187 V188 N192	Y186-K190 HydrophobicContact CD1-CG 4.15Å; Y186-K190 HydrophobicContact CE1-CG 3.75Å; Y186-K190 HydrophobicContact CE2-CG 4.43Å; Y186-K190 WeakPolarHBondContact O-CB 3.33Å; Y186-K190 WeakPolarHBondContact O-CG 3.5Å; Y186-K190 PolarHBondContact O-N 3.49Å; A187-K190 CarbonylContact O-C 3.3Å; A187-K190 PolarHBondContact O-N 3.35Å; V188-K190 PolarHBondContact O-N 3.22Å; K190-N192 HydrophobicContact CB-CB 4.44Å; K190-N192 PolarHBondContact O-N 3.01Å; K190-N192 VanDerWaalsContact O-N 3.15Å
191	S	95.4	Very high	96.4	Very high	43 Å²	43	40 Å²	40	30%	0.301	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	34.2	-172.1	-64.4	0	0	0	0	112.5	A187 V188 I189 H193 D226	A187-S191 PolarHBondContact O-N 3.24Å; A187-S191 VanDerWaalsContact O-N 3.09Å; V188-S191 PolarHBondContact O-N 3.46Å; I189-S191 VanDerWaalsContact C-N 3.29Å; S191-H193 PolarHBondContact O-N 3.48Å; S191-H193 VanDerWaalsContact O-N 3.15Å; S191-D226 WeakPolarHBondContact CB-OD2 3.35Å; S191-D226 PolarHBondContact OG-OD2 3.26Å; S191-D226 VanDerWaalsContact OG-OD2 3.07Å
192	N	95.9	Very high	96.6	Very high	43 Å²	43	44.8 Å²	44.8	23%	0.23	21%	0.212	C	C	.	.			trans	-86.5	84	177.1	-172.9	-27.9	0	0	0	108.8	A187 K190 S194 Y195 C196	A187-N192 PolarHBondContact O-N 3.31Å; K190-N192 HydrophobicContact CB-CB 4.44Å; K190-N192 PolarHBondContact O-N 3.01Å; K190-N192 VanDerWaalsContact O-N 3.15Å; N192-S194 PolarHBondContact O-N 3.21Å; N192-S194 PolarHBondContact OD1-N 2.78Å; N192-Y195 VanDerWaalsContact ND2-CD2 3.3Å; N192-Y195 WeakPolarHBondContact ND2-CD2 3.45Å; N192-Y195 PolarHBondContact O-N 2.99Å; N192-Y195 PolarHBondContact OD1-N 3.36Å; N192-C196 PolarHBondContact O-N 2.83Å; N192-C196 PolarHBondContact O-SG 3.29Å
193	H	96.5	Very high	96.8	Very high	58 Å²	58	44.5 Å²	44.5	27%	0.269	23%	0.227	S	C	.	.	H	α-helix	trans	-61.6	-28.5	-177.4	-56.5	140	0	0	0	113.2	S191 C196 R197 D226 M232	S191-H193 PolarHBondContact O-N 3.48Å; S191-H193 VanDerWaalsContact O-N 3.15Å; H193-C196 PolarHBondContact O-N 3.44Å; H193-R197 VanDerWaalsContact O-CB 3.27Å; H193-R197 WeakPolarHBondContact O-CB 3.27Å; H193-R197 PolarHBondContact O-N 2.95Å; H193-D226 IonicContact CD2-OD1 3.87Å; H193-D226 IonicContact CD2-OD2 3.7Å; H193-D226 IonicContact CE1-OD1 3.71Å; H193-D226 IonicContact CE1-OD2 2.7Å; H193-D226 VanDerWaalsContact NE2-CG 3.28Å; H193-D226 IonicContact NE2-OD1 2.72Å; H193-D226 PolarHBondContact NE2-OD1 3.01Å; H193-D226 IonicContact NE2-OD2 3.08Å; H193-D226 PolarHBondContact NE2-OD2 3.18Å; H193-M232 HydrophobicContact CB-CE 3.91Å
194	S	96.7	Very high	96.9	Very high	90 Å²	90	44.9 Å²	44.9	63%	0.629	23%	0.229	S	C	*	.	H	α-helix	trans	-65.3	-44.9	175.9	-61.7	0	0	0	0	111.6	N192 M198	N192-S194 PolarHBondContact O-N 3.21Å; N192-S194 PolarHBondContact OD1-N 2.78Å; S194-M198 VanDerWaalsContact O-CB 3.31Å; S194-M198 WeakPolarHBondContact O-CB 3.48Å; S194-M198 PolarHBondContact O-N 3.13Å
195	Y	97	Very high	96.9	Very high	7 Å²	7	48 Å²	48	3%	0.027	25%	0.246	C	C	.	.	H	α-helix	trans	-70.6	-39.9	174.1	-77.2	-6.6	0	0	0	112.4	I158 E161 S163 N192 R197 M198 F199	I158-Y195 HydrophobicContact CB-CE2 4.39Å; I158-Y195 HydrophobicContact CG2-CD2 4.01Å; I158-Y195 HydrophobicContact CG2-CE2 3.9Å; E161-Y195 WeakPolarHBondContact CA-OH 3.36Å; S163-Y195 PolarHBondContact N-OH 2.9Å; S163-Y195 WeakPolarHBondContact OG-CE1 3.34Å; S163-Y195 PolarHBondContact OG-OH 2.93Å; N192-Y195 VanDerWaalsContact ND2-CD2 3.3Å; N192-Y195 WeakPolarHBondContact ND2-CD2 3.45Å; N192-Y195 PolarHBondContact O-N 2.99Å; N192-Y195 PolarHBondContact OD1-N 3.36Å; Y195-R197 PolarHBondContact O-N 3.23Å; Y195-M198 HydrophobicContact CD1-CE 3.51Å; Y195-M198 HydrophobicContact CE1-CE 3.79Å; Y195-M198 HydrophobicContact CG-CE 4.42Å; Y195-M198 PolarHBondContact O-N 3.49Å; Y195-F199 HydrophobicContact CD2-CZ 4.34Å; Y195-F199 HydrophobicContact CG-CE2 4.44Å; Y195-F199 HydrophobicContact CG-CZ 4.11Å; Y195-F199 WeakPolarHBondContact O-CB 3.31Å; Y195-F199 VanDerWaalsContact O-CD2 3.24Å; Y195-F199 WeakPolarHBondContact O-CD2 3.36Å; Y195-F199 WeakPolarHBondContact O-CG 3.24Å; Y195-F199 PolarHBondContact O-N 3.01Å
196	C	97.9	Very high	97	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.6	-52.8	173.2	-62	0	0	0	0	110.5	A187 N192 H193 M198 F199 L200 M232	A187-C196 VanDerWaalsContact C-SG 3.54Å; A187-C196 VanDerWaalsContact CB-SG 3.57Å; N192-C196 PolarHBondContact O-N 2.83Å; N192-C196 PolarHBondContact O-SG 3.29Å; H193-C196 PolarHBondContact O-N 3.44Å; C196-M198 VanDerWaalsContact C-N 3.35Å; C196-M198 PolarHBondContact O-N 3.46Å; C196-F199 PolarHBondContact O-N 3.23Å; C196-L200 WeakPolarHBondContact O-CB 3.39Å; C196-L200 WeakPolarHBondContact O-CG 3.24Å; C196-L200 PolarHBondContact O-N 3.01Å; C196-M232 HydrophobicContact CB-CE 3.79Å
197	R	97.9	Very high	97	Very high	126 Å²	126	47.7 Å²	47.7	48%	0.475	25%	0.25	S	C	.	.	H	α-helix	trans	-57.2	-47.5	177.5	-175.6	-177.6	-55.5	-76.1	-4.6	112	H193 Y195 L200 Q201 M232	H193-R197 VanDerWaalsContact O-CB 3.27Å; H193-R197 WeakPolarHBondContact O-CB 3.27Å; H193-R197 PolarHBondContact O-N 2.95Å; Y195-R197 PolarHBondContact O-N 3.23Å; R197-L200 PolarHBondContact O-N 3.37Å; R197-Q201 HydrophobicContact CG-CG 4.44Å; R197-Q201 WeakPolarHBondContact O-CB 3.49Å; R197-Q201 VanDerWaalsContact O-CG 3.24Å; R197-Q201 WeakPolarHBondContact O-CG 3.3Å; R197-Q201 PolarHBondContact O-N 3.38Å; R197-M232 HydrophobicContact CB-SD 4.03Å
198	M	97.5	Very high	97	Very high	20 Å²	20	49.3 Å²	49.3	10%	0.099	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-44.7	-179.1	-177.2	171.9	64.4	0	0	111.8	V166 K167 S194 Y195 C196 Q201 R202	V166-M198 HydrophobicContact CB-CE 4.09Å; V166-M198 HydrophobicContact CG1-CE 3.26Å; V166-M198 HydrophobicContact CG1-SD 4.4Å; K167-M198 HydrophobicContact CG-SD 3.7Å; S194-M198 VanDerWaalsContact O-CB 3.31Å; S194-M198 WeakPolarHBondContact O-CB 3.48Å; S194-M198 PolarHBondContact O-N 3.13Å; Y195-M198 HydrophobicContact CD1-CE 3.51Å; Y195-M198 HydrophobicContact CE1-CE 3.79Å; Y195-M198 HydrophobicContact CG-CE 4.42Å; Y195-M198 PolarHBondContact O-N 3.49Å; C196-M198 VanDerWaalsContact C-N 3.35Å; C196-M198 PolarHBondContact O-N 3.46Å; M198-Q201 PolarHBondContact O-N 2.95Å; M198-R202 WeakPolarHBondContact O-CB 3.48Å; M198-R202 WeakPolarHBondContact O-CG 3.33Å; M198-R202 PolarHBondContact O-N 2.86Å; M198-R202 VanDerWaalsContact O-N 3.14Å
199	F	97.9	Very high	96.9	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.6	-42.1	-179.9	-59.2	-26	0	0	0	111.9	I158 V166 L170 I176 L183 L184 A187 Y195 C196 Q201 R202 G203 A204	I158-F199 HydrophobicContact CD1-CE1 3.97Å; I158-F199 HydrophobicContact CD1-CE2 4.19Å; I158-F199 HydrophobicContact CD1-CZ 3.37Å; I158-F199 HydrophobicContact CG1-CE1 4.45Å; I158-F199 HydrophobicContact CG1-CZ 3.81Å; I158-F199 HydrophobicContact CG2-CZ 4.45Å; V166-F199 HydrophobicContact CG1-CE1 3.89Å; L170-F199 HydrophobicContact CD1-CD1 4.13Å; L170-F199 HydrophobicContact CD1-CE1 4.19Å; I176-F199 HydrophobicContact CD1-CB 3.8Å; I176-F199 HydrophobicContact CD1-CD1 3.92Å; I176-F199 HydrophobicContact CD1-CG 4.17Å; I176-F199 WeakPolarHBondContact CD1-O 3.44Å; I176-F199 HydrophobicContact CG1-CB 4.33Å; I176-F199 HydrophobicContact CG1-CD1 4.28Å; I176-F199 HydrophobicContact CG1-CG 4.43Å; L183-F199 HydrophobicContact CB-CD2 4.3Å; L183-F199 HydrophobicContact CB-CE2 3.99Å; L183-F199 HydrophobicContact CB-CZ 4.39Å; L183-F199 WeakPolarHBondContact O-CE2 3.16Å; L184-F199 HydrophobicContact CD1-CB 4.35Å; A187-F199 HydrophobicContact CB-CD2 4.14Å; A187-F199 HydrophobicContact CB-CE2 3.89Å; Y195-F199 HydrophobicContact CD2-CZ 4.34Å; Y195-F199 HydrophobicContact CG-CE2 4.44Å; Y195-F199 HydrophobicContact CG-CZ 4.11Å; Y195-F199 WeakPolarHBondContact O-CB 3.31Å; Y195-F199 VanDerWaalsContact O-CD2 3.24Å; Y195-F199 WeakPolarHBondContact O-CD2 3.36Å; Y195-F199 WeakPolarHBondContact O-CG 3.24Å; Y195-F199 PolarHBondContact O-N 3.01Å; C196-F199 PolarHBondContact O-N 3.23Å; F199-Q201 PolarHBondContact O-N 3.25Å; F199-R202 CarbonylContact O-C 3.6Å; F199-R202 WeakPolarHBondContact O-CA 3.42Å; F199-R202 PolarHBondContact O-N 3.09Å; F199-G203 PolarHBondContact O-N 3.13Å; F199-G203 VanDerWaalsContact O-N 3.17Å; F199-A204 HydrophobicContact CB-CB 3.96Å; F199-A204 WeakPolarHBondContact O-CB 3.24Å; F199-A204 PolarHBondContact O-N 3.42Å
200	L	98.1	Very high	96.8	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-43.6	175.6	-66.8	172.4	0	0	0	112	L184 C196 R197 R202 G203 T206 M232 L233 Y236	L184-L200 HydrophobicContact CD1-CD2 4.1Å; L184-L200 HydrophobicContact CD1-CG 4.12Å; L184-L200 HydrophobicContact CD2-CD2 3.84Å; C196-L200 WeakPolarHBondContact O-CB 3.39Å; C196-L200 WeakPolarHBondContact O-CG 3.24Å; C196-L200 PolarHBondContact O-N 3.01Å; R197-L200 PolarHBondContact O-N 3.37Å; L200-R202 PolarHBondContact O-N 3.31Å; L200-G203 PolarHBondContact O-N 3.27Å; L200-T206 HydrophobicContact CD2-CG2 3.39Å; L200-M232 HydrophobicContact CD1-CB 3.85Å; L200-L233 HydrophobicContact CD1-CD2 4.26Å; L200-L233 HydrophobicContact CD2-CD2 4.03Å; L200-Y236 VanDerWaalsContact C-CE1 3.49Å; L200-Y236 HydrophobicContact CB-CD1 3.71Å; L200-Y236 HydrophobicContact CB-CD2 4.04Å; L200-Y236 HydrophobicContact CB-CE1 3.94Å; L200-Y236 HydrophobicContact CB-CE2 4.25Å; L200-Y236 HydrophobicContact CB-CG 3.76Å; L200-Y236 HydrophobicContact CD1-CD2 4.18Å; L200-Y236 HydrophobicContact CD1-CG 4.36Å; L200-Y236 HydrophobicContact CD2-CG 4.34Å; L200-Y236 HydrophobicContact CG-CG 4.37Å; L200-Y236 WeakPolarHBondContact O-CD1 3.28Å; L200-Y236 WeakPolarHBondContact O-CE1 3.42Å
201	Q	96.9	Very high	96.7	Very high	121 Å²	121	50 Å²	50	57%	0.565	27%	0.265	S	S	*	.	H	α-helix	trans	-62.6	-22.2	173.9	-76.1	177	-24.5	0	0	113.6	R197 M198 F199 Y236	R197-Q201 HydrophobicContact CG-CG 4.44Å; R197-Q201 WeakPolarHBondContact O-CB 3.49Å; R197-Q201 VanDerWaalsContact O-CG 3.24Å; R197-Q201 WeakPolarHBondContact O-CG 3.3Å; R197-Q201 PolarHBondContact O-N 3.38Å; M198-Q201 PolarHBondContact O-N 2.95Å; F199-Q201 PolarHBondContact O-N 3.25Å; Q201-Y236 HydrophobicContact CG-CE1 4.45Å; Q201-Y236 VanDerWaalsContact CG-OH 3.27Å; Q201-Y236 WeakPolarHBondContact CG-OH 3.43Å
202	R	96.3	Very high	96.6	Very high	102 Å²	102	54.6 Å²	54.6	39%	0.385	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	8.2	176.7	-64	-67.7	-178.3	98.5	-4.2	112.8	L170 D171 I176 M198 F199 L200	L170-R202 HydrophobicContact CD1-CG 4.33Å; D171-R202 IonicContact OD1-CZ 2.87Å; D171-R202 IonicContact OD1-NH1 3.94Å; D171-R202 PolarHBondContact OD1-NH1 3.32Å; D171-R202 IonicContact OD1-NH2 3.31Å; D171-R202 PolarHBondContact OD1-NH2 2.76Å; I176-R202 HydrophobicContact CD1-CB 3.61Å; M198-R202 WeakPolarHBondContact O-CB 3.48Å; M198-R202 WeakPolarHBondContact O-CG 3.33Å; M198-R202 PolarHBondContact O-N 2.86Å; M198-R202 VanDerWaalsContact O-N 3.14Å; F199-R202 CarbonylContact O-C 3.6Å; F199-R202 WeakPolarHBondContact O-CA 3.42Å; F199-R202 PolarHBondContact O-N 3.09Å; L200-R202 PolarHBondContact O-N 3.31Å
203	G	96.3	Very high	96.6	Very high	57 Å²	57	54.3 Å²	54.3	59%	0.588	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	25.6	172.9	0	0	0	0	0	115.1	F199 L200 D205	F199-G203 PolarHBondContact O-N 3.13Å; F199-G203 VanDerWaalsContact O-N 3.17Å; L200-G203 PolarHBondContact O-N 3.27Å; G203-D205 PolarHBondContact O-N 2.6Å
204	A	97.9	Very high	96.6	Very high	7 Å²	7	51.8 Å²	51.8	6%	0.058	27%	0.271	C	S	.	.			trans	-57.1	134.3	170.5	0	0	0	0	0	111.1	I176 L184 F199 T206	I176-A204 HydrophobicContact CD1-CB 4.06Å; I176-A204 HydrophobicContact CG1-CB 4.11Å; I176-A204 HydrophobicContact CG2-CB 4.2Å; L184-A204 HydrophobicContact CB-CB 4.35Å; L184-A204 HydrophobicContact CD2-CB 4.11Å; F199-A204 HydrophobicContact CB-CB 3.96Å; F199-A204 WeakPolarHBondContact O-CB 3.24Å; F199-A204 PolarHBondContact O-N 3.42Å; A204-T206 PolarHBondContact O-N 3.27Å
205	D	98.1	Very high	96.6	Very high	66 Å²	66	48.2 Å²	48.2	35%	0.353	24%	0.244	S	C	.	.			trans	-70.8	117.7	178	-175.9	-15.5	0	0	0	110.5	D177 G203 N207 L208	D177-D205 PolarHBondContact OD1-N 2.74Å; D177-D205 PolarHBondContact OD2-N 2.79Å; G203-D205 PolarHBondContact O-N 2.6Å; D205-N207 VanDerWaalsContact C-N 3.26Å; D205-N207 PolarHBondContact O-N 3.33Å; D205-N207 PolarHBondContact OD1-N 3.03Å; D205-L208 HydrophobicContact CB-CD1 3.82Å; D205-L208 HydrophobicContact CB-CD2 4.47Å; D205-L208 HydrophobicContact CB-CG 3.75Å
206	T	98	Very high	96.7	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.037	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.2	-178	48.2	0	0	0	0	114.2	L184 L200 A204 P217 L233 G237 A238	L184-T206 HydrophobicContact CD2-CG2 4.37Å; L200-T206 HydrophobicContact CD2-CG2 3.39Å; A204-T206 PolarHBondContact O-N 3.27Å; T206-P217 WeakPolarHBondContact O-CD 3.24Å; T206-P217 WeakPolarHBondContact O-CG 3.49Å; T206-L233 HydrophobicContact CG2-CD2 4.06Å; T206-G237 PolarHBondContact OG1-O 3.06Å; T206-A238 HydrophobicContact CG2-CB 4.41Å; T206-A238 WeakPolarHBondContact OG1-CA 3.22Å; T206-A238 PolarHBondContact OG1-N 2.92Å
207	N	97.4	Very high	96.7	Very high	59 Å²	59	48 Å²	48	32%	0.316	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-0.3	-169	-61.9	-51.9	0	0	0	113.3	D205 G209 G237 D239	D205-N207 VanDerWaalsContact C-N 3.26Å; D205-N207 PolarHBondContact O-N 3.33Å; D205-N207 PolarHBondContact OD1-N 3.03Å; N207-G209 PolarHBondContact O-N 3.1Å; N207-G209 VanDerWaalsContact O-N 3.13Å; N207-G237 PolarHBondContact ND2-O 3.07Å; N207-D239 PolarHBondContact OD1-N 3.24Å
208	L	97.2	Very high	96.7	Very high	33 Å²	33	42 Å²	42	17%	0.173	22%	0.22	C	C	.	.			trans	-68.3	113.2	175.5	-59.8	178.9	0	0	0	111	D177 N180 R185 D205 P217	D177-L208 HydrophobicContact CB-CD1 3.73Å; N180-L208 WeakPolarHBondContact O-CB 3.44Å; R185-L208 PolarHBondContact NH1-O 3.13Å; D205-L208 HydrophobicContact CB-CD1 3.82Å; D205-L208 HydrophobicContact CB-CD2 4.47Å; D205-L208 HydrophobicContact CB-CG 3.75Å; L208-P217 VanDerWaalsContact O-CD 3.29Å; L208-P217 WeakPolarHBondContact O-CD 3.28Å
209	G	94.4	Very high	96.7	Very high	14 Å²	14	41 Å²	41	14%	0.144	22%	0.216	C	C	.	.			trans	-77.9	155.1	176.5	0	0	0	0	0	113.3	N180 R185 N207	N180-G209 PolarHBondContact ND2-O 3.33Å; R185-G209 PolarHBondContact NH1-O 3.14Å; N207-G209 PolarHBondContact O-N 3.1Å; N207-G209 VanDerWaalsContact O-N 3.13Å
210	R	94.3	Very high	96.7	Very high	76 Å²	76	41.5 Å²	41.5	29%	0.287	22%	0.218	S	C	.	.			trans	-61.4	143.6	166.3	-73.5	-157.8	-55.7	158	-17	111.1	R185 E212 D213 G214 Q215	R185-R210 VanDerWaalsContact CD-CG 3.45Å; R210-E212 WeakPolarHBondContact CB-OE2 3.37Å; R210-E212 IonicContact NH1-OE2 3.71Å; R210-E212 PolarHBondContact O-N 2.93Å; R210-D213 VanDerWaalsContact CB-OD1 3.31Å; R210-D213 WeakPolarHBondContact CB-OD1 3.49Å; R210-D213 IonicContact CZ-OD1 3.23Å; R210-D213 VanDerWaalsContact CZ-OD1 3.23Å; R210-D213 IonicContact CZ-OD2 3.37Å; R210-D213 IonicContact NE-OD1 2.87Å; R210-D213 PolarHBondContact NE-OD1 3.33Å; R210-D213 IonicContact NE-OD2 3.71Å; R210-D213 IonicContact NH2-OD1 3.26Å; R210-D213 PolarHBondContact NH2-OD1 2.86Å; R210-D213 IonicContact NH2-OD2 2.56Å; R210-D213 PolarHBondContact NH2-OD2 3.39Å; R210-G214 VanDerWaalsContact O-CA 3.24Å; R210-G214 WeakPolarHBondContact O-CA 3.29Å; R210-G214 PolarHBondContact O-N 3.21Å; R210-Q215 PolarHBondContact N-O 3.15Å
211	L	92.4	Very high	96.7	Very high	117 Å²	117	41.2 Å²	41.2	61%	0.613	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-25	178.3	-64.8	178.9	0	0	0	112	N180 Y245	N180-L211 HydrophobicContact CB-CD2 4.38Å; L211-Y245 WeakPolarHBondContact O-CE2 3.38Å
212	E	94.3	Very high	96.7	Very high	140 Å²	140	35.5 Å²	35.5	65%	0.654	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-35.9	-175.5	-55.7	79.9	-167.4	0	0	113	R210	R210-E212 WeakPolarHBondContact CB-OE2 3.37Å; R210-E212 IonicContact NH1-OE2 3.71Å; R210-E212 PolarHBondContact O-N 2.93Å
213	D	95.1	Very high	96.6	Very high	36 Å²	36	35 Å²	35	19%	0.193	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.4	3.4	-171.6	68.7	-9.7	0	0	0	115.2	R210 Q215 N244 Y245	R210-D213 VanDerWaalsContact CB-OD1 3.31Å; R210-D213 WeakPolarHBondContact CB-OD1 3.49Å; R210-D213 IonicContact CZ-OD1 3.23Å; R210-D213 VanDerWaalsContact CZ-OD1 3.23Å; R210-D213 IonicContact CZ-OD2 3.37Å; R210-D213 IonicContact NE-OD1 2.87Å; R210-D213 PolarHBondContact NE-OD1 3.33Å; R210-D213 IonicContact NE-OD2 3.71Å; R210-D213 IonicContact NH2-OD1 3.26Å; R210-D213 PolarHBondContact NH2-OD1 2.86Å; R210-D213 IonicContact NH2-OD2 2.56Å; R210-D213 PolarHBondContact NH2-OD2 3.39Å; D213-Q215 HydrophobicContact CB-CG 4.39Å; D213-Q215 PolarHBondContact O-N 3.15Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.41Å; D213-Q215 VanDerWaalsContact OD1-CG 3.24Å; D213-Q215 WeakPolarHBondContact OD1-CG 3.39Å; D213-Q215 PolarHBondContact OD1-N 2.88Å; D213-Q215 WeakPolarHBondContact OD2-CG 3.38Å; D213-N244 WeakPolarHBondContact O-CB 3.43Å; D213-Y245 VanDerWaalsContact CA-CD2 3.41Å; D213-Y245 PolarHBondContact O-N 3.04Å
214	G	96.6	Very high	96.5	Very high	6 Å²	6	38.4 Å²	38.4	6%	0.062	19%	0.19	C	C	.	.			trans	74	4.2	178.4	0	0	0	0	0	114.7	R210 T216	R210-G214 VanDerWaalsContact O-CA 3.24Å; R210-G214 WeakPolarHBondContact O-CA 3.29Å; R210-G214 PolarHBondContact O-N 3.21Å; G214-T216 PolarHBondContact O-N 3.41Å; G214-T216 VanDerWaalsContact O-N 3.17Å
215	Q	97.3	Very high	96.4	Very high	14 Å²	14	40.4 Å²	40.4	7%	0.065	20%	0.2	C	C	.	.			trans	-65.9	118.5	-179.4	-61.3	-76.6	34.8	0	0	110.5	R210 D213 H219 L220 N244	R210-Q215 PolarHBondContact N-O 3.15Å; D213-Q215 HydrophobicContact CB-CG 4.39Å; D213-Q215 PolarHBondContact O-N 3.15Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.41Å; D213-Q215 VanDerWaalsContact OD1-CG 3.24Å; D213-Q215 WeakPolarHBondContact OD1-CG 3.39Å; D213-Q215 PolarHBondContact OD1-N 2.88Å; D213-Q215 WeakPolarHBondContact OD2-CG 3.38Å; Q215-H219 HydrophobicContact CB-CB 4.05Å; Q215-H219 PolarHBondContact OE1-CD2 3.26Å; Q215-L220 HydrophobicContact CB-CD2 4.01Å; Q215-L220 HydrophobicContact CB-CG 4.32Å; Q215-N244 HydrophobicContact CG-CB 4.49Å; Q215-N244 PolarHBondContact NE2-ND2 3.32Å; Q215-N244 PolarHBondContact OE1-ND2 3.09Å
216	T	98.1	Very high	96.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.187	C	C	.	.			trans	-76.6	165.5	172.6	70.5	0	0	0	0	110.9	G214 L218 H219 L220 T242	G214-T216 PolarHBondContact O-N 3.41Å; G214-T216 VanDerWaalsContact O-N 3.17Å; T216-L218 PolarHBondContact O-N 3.22Å; T216-L218 VanDerWaalsContact O-N 3.12Å; T216-L218 PolarHBondContact OG1-N 3.34Å; T216-H219 PolarHBondContact N-ND1 3.35Å; T216-H219 WeakPolarHBondContact O-CB 3.42Å; T216-H219 PolarHBondContact O-N 3.45Å; T216-H219 VanDerWaalsContact O-N 3.09Å; T216-H219 PolarHBondContact OG1-ND1 3.41Å; T216-L220 WeakPolarHBondContact O-CG 3.33Å; T216-L220 PolarHBondContact O-N 3.36Å; T216-L220 VanDerWaalsContact O-N 3.12Å; T216-T242 HydrophobicContact CG2-CG2 3.63Å
217	P	98.4	Very high	96.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-42.8	-42.3	167.6	-33.2	34.8	0	0	0	114.2	L184 R185 V188 T206 L208 L220 S221 L233	L184-P217 HydrophobicContact CD2-CB 4.23Å; L184-P217 HydrophobicContact CD2-CG 3.81Å; L184-P217 HydrophobicContact CG-CB 4.24Å; L184-P217 HydrophobicContact CG-CG 3.97Å; R185-P217 HydrophobicContact CG-CG 3.83Å; V188-P217 HydrophobicContact CG2-CB 4.2Å; T206-P217 WeakPolarHBondContact O-CD 3.24Å; T206-P217 WeakPolarHBondContact O-CG 3.49Å; L208-P217 VanDerWaalsContact O-CD 3.29Å; L208-P217 WeakPolarHBondContact O-CD 3.28Å; P217-L220 PolarHBondContact O-N 3.12Å; P217-S221 PolarHBondContact O-N 3.36Å; P217-S221 PolarHBondContact O-OG 2.95Å; P217-L233 VanDerWaalsContact C-CD1 3.45Å; P217-L233 HydrophobicContact CB-CD1 3.72Å; P217-L233 HydrophobicContact CB-CD2 3.64Å; P217-L233 HydrophobicContact CB-CG 4.35Å; P217-L233 WeakPolarHBondContact O-CD1 3.44Å
218	L	98.4	Very high	96.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-70.5	-37.1	-177.5	-171.8	59.4	0	0	0	112.5	T216 L220 S221 A222 A230 L233 A238 T240 P250 L268	T216-L218 PolarHBondContact O-N 3.22Å; T216-L218 VanDerWaalsContact O-N 3.12Å; T216-L218 PolarHBondContact OG1-N 3.34Å; L218-L220 VanDerWaalsContact C-N 3.29Å; L218-L220 PolarHBondContact O-N 2.89Å; L218-S221 PolarHBondContact O-N 2.85Å; L218-A222 WeakPolarHBondContact O-CB 3.49Å; L218-A222 PolarHBondContact O-N 2.84Å; L218-A230 HydrophobicContact CD1-CB 3.86Å; L218-L233 HydrophobicContact CB-CD1 4.32Å; L218-L233 HydrophobicContact CD1-CB 4.25Å; L218-L233 HydrophobicContact CD1-CD1 4.33Å; L218-A238 HydrophobicContact CB-CB 4.24Å; L218-A238 HydrophobicContact CD2-CB 4.02Å; L218-T240 HydrophobicContact CD2-CG2 3.94Å; L218-P250 HydrophobicContact CB-CB 4.47Å; L218-P250 HydrophobicContact CB-CG 4.17Å; L218-P250 HydrophobicContact CD2-CB 4.17Å; L218-P250 HydrophobicContact CD2-CG 3.95Å; L218-P250 HydrophobicContact CG-CB 3.85Å; L218-P250 HydrophobicContact CG-CG 3.91Å; L218-L268 HydrophobicContact CD1-CD2 4.24Å; L218-L268 HydrophobicContact CD2-CD2 4.25Å; L218-L268 HydrophobicContact CG-CD2 4.35Å
219	H	98.2	Very high	96.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-40.8	170.7	-68.2	89.3	0	0	0	111.9	Q215 T216 A222 L223 T242 Q248 P250	Q215-H219 HydrophobicContact CB-CB 4.05Å; Q215-H219 PolarHBondContact OE1-CD2 3.26Å; T216-H219 PolarHBondContact N-ND1 3.35Å; T216-H219 WeakPolarHBondContact O-CB 3.42Å; T216-H219 PolarHBondContact O-N 3.45Å; T216-H219 VanDerWaalsContact O-N 3.09Å; T216-H219 PolarHBondContact OG1-ND1 3.41Å; H219-A222 WeakPolarHBondContact O-CB 3.31Å; H219-A222 PolarHBondContact O-N 2.72Å; H219-L223 WeakPolarHBondContact O-CB 3.41Å; H219-L223 PolarHBondContact O-N 2.84Å; H219-T242 PolarHBondContact CE1-O 3.32Å; H219-T242 PolarHBondContact NE2-O 3.18Å; H219-Q248 PolarHBondContact NE2-O 3.47Å; H219-P250 WeakPolarHBondContact NE2-CD 3.33Å
220	L	97.4	Very high	96.4	Very high	10 Å²	10	39 Å²	39	5%	0.052	19%	0.189	C	C	.	.	H	α-helix	trans	-69.2	-36.9	179.6	-61.8	174.9	0	0	0	112	R185 V188 I189 Q215 T216 P217 L218 R224	R185-L220 HydrophobicContact CB-CD1 3.82Å; R185-L220 HydrophobicContact CG-CD1 3.83Å; V188-L220 HydrophobicContact CG1-CB 3.8Å; I189-L220 HydrophobicContact CD1-CD1 4.01Å; I189-L220 HydrophobicContact CG1-CD1 4.01Å; Q215-L220 HydrophobicContact CB-CD2 4.01Å; Q215-L220 HydrophobicContact CB-CG 4.32Å; T216-L220 WeakPolarHBondContact O-CG 3.33Å; T216-L220 PolarHBondContact O-N 3.36Å; T216-L220 VanDerWaalsContact O-N 3.12Å; P217-L220 PolarHBondContact O-N 3.12Å; L218-L220 VanDerWaalsContact C-N 3.29Å; L218-L220 PolarHBondContact O-N 2.89Å; L220-R224 VanDerWaalsContact O-CG 3.27Å; L220-R224 WeakPolarHBondContact O-CG 3.48Å; L220-R224 PolarHBondContact O-N 3.01Å
221	S	97.4	Very high	96.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-43.4	170.7	-65.3	0	0	0	0	111.5	V188 P217 L218 R224 D225 D226 C229 L233	V188-S221 VanDerWaalsContact CG1-OG 3.29Å; V188-S221 WeakPolarHBondContact CG1-OG 3.35Å; P217-S221 PolarHBondContact O-N 3.36Å; P217-S221 PolarHBondContact O-OG 2.95Å; L218-S221 PolarHBondContact O-N 2.85Å; S221-R224 PolarHBondContact O-N 3.16Å; S221-D225 PolarHBondContact O-N 3.38Å; S221-D225 VanDerWaalsContact O-N 3.12Å; S221-D226 PolarHBondContact O-N 3.26Å; S221-C229 WeakPolarHBondContact OG-CB 3.31Å; S221-L233 VanDerWaalsContact OG-CD1 3.31Å; S221-L233 WeakPolarHBondContact OG-CD1 3.31Å
222	A	96.7	Very high	96.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-50.9	176.5	0	0	0	0	0	111.9	L218 H219 R224 D225 P250 V253 I257 L268	L218-A222 WeakPolarHBondContact O-CB 3.49Å; L218-A222 PolarHBondContact O-N 2.84Å; H219-A222 WeakPolarHBondContact O-CB 3.31Å; H219-A222 PolarHBondContact O-N 2.72Å; A222-R224 PolarHBondContact O-N 3.25Å; A222-R224 VanDerWaalsContact O-N 3.12Å; A222-D225 PolarHBondContact O-N 3.16Å; A222-P250 HydrophobicContact CB-CB 4.4Å; A222-P250 VanDerWaalsContact CB-O 3.28Å; A222-P250 WeakPolarHBondContact CB-O 3.29Å; A222-V253 HydrophobicContact CB-CG1 4.39Å; A222-I257 WeakPolarHBondContact O-CD1 3.01Å; A222-L268 HydrophobicContact CB-CD1 3.76Å
223	L	94.9	Very high	97.1	Very high	91 Å²	91	29.1 Å²	29.1	48%	0.476	14%	0.139	S	C	.	.	H	α-helix	trans	-56.6	-28.4	178.9	-174.5	62	0	0	0	113.2	H219 V253 I257	H219-L223 WeakPolarHBondContact O-CB 3.41Å; H219-L223 PolarHBondContact O-N 2.84Å; L223-V253 HydrophobicContact CB-CG1 3.84Å; L223-V253 HydrophobicContact CD1-CG1 4.09Å; L223-I257 WeakPolarHBondContact O-CD1 3.24Å
224	R	93.3	Very high	97.2	Very high	130 Å²	130	31.3 Å²	31.3	49%	0.491	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	0.9	-177.6	-63.2	-178.6	68.5	72.1	4.6	113.5	I189 L220 S221 A222 D226	I189-R224 PolarHBondContact O-NE 3.12Å; I189-R224 PolarHBondContact O-NH2 3.11Å; L220-R224 VanDerWaalsContact O-CG 3.27Å; L220-R224 WeakPolarHBondContact O-CG 3.48Å; L220-R224 PolarHBondContact O-N 3.01Å; S221-R224 PolarHBondContact O-N 3.16Å; A222-R224 PolarHBondContact O-N 3.25Å; A222-R224 VanDerWaalsContact O-N 3.12Å; R224-D226 HydrophobicContact CB-CB 4.41Å; R224-D226 PolarHBondContact O-N 3.17Å
225	D	95.6	Very high	97.3	Very high	49 Å²	49	36.7 Å²	36.7	26%	0.262	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	32.8	-171.4	-162.1	34.2	0	0	0	113.1	S221 A222 V227 P263 C264	S221-D225 PolarHBondContact O-N 3.38Å; S221-D225 VanDerWaalsContact O-N 3.12Å; A222-D225 PolarHBondContact O-N 3.16Å; D225-V227 PolarHBondContact O-N 3.19Å; D225-V227 VanDerWaalsContact O-N 3.11Å; D225-P263 WeakPolarHBondContact OD1-CD 3.38Å; D225-P263 WeakPolarHBondContact OD2-CD 3.48Å; D225-C264 WeakPolarHBondContact OD1-CB 3.24Å; D225-C264 PolarHBondContact OD1-N 2.89Å
226	D	95.8	Very high	97.3	Very high	17 Å²	17	40.9 Å²	40.9	9%	0.091	19%	0.188	C	C	.	.			trans	-87.6	77.8	-179.2	-168.4	-22.2	0	0	0	110.3	S191 H193 S221 R224 L228 C229 A230	S191-D226 WeakPolarHBondContact CB-OD2 3.35Å; S191-D226 PolarHBondContact OG-OD2 3.26Å; S191-D226 VanDerWaalsContact OG-OD2 3.07Å; H193-D226 IonicContact CD2-OD1 3.87Å; H193-D226 IonicContact CD2-OD2 3.7Å; H193-D226 IonicContact CE1-OD1 3.71Å; H193-D226 IonicContact CE1-OD2 2.7Å; H193-D226 VanDerWaalsContact NE2-CG 3.28Å; H193-D226 IonicContact NE2-OD1 2.72Å; H193-D226 PolarHBondContact NE2-OD1 3.01Å; H193-D226 IonicContact NE2-OD2 3.08Å; H193-D226 PolarHBondContact NE2-OD2 3.18Å; S221-D226 PolarHBondContact O-N 3.26Å; R224-D226 HydrophobicContact CB-CB 4.41Å; R224-D226 PolarHBondContact O-N 3.17Å; D226-L228 PolarHBondContact O-N 3.29Å; D226-C229 HydrophobicContact CB-CB 4.16Å; D226-C229 VanDerWaalsContact CG-CB 3.5Å; D226-C229 PolarHBondContact O-N 2.93Å; D226-C229 WeakPolarHBondContact OD1-CB 3.26Å; D226-C229 PolarHBondContact OD1-N 3.45Å; D226-A230 PolarHBondContact O-N 2.91Å
227	V	96.6	Very high	97.3	Very high	28 Å²	28	43.2 Å²	43.2	17%	0.17	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-31.5	-177.1	69.4	0	0	0	0	113.1	D225 A230 R231 P263 C264 F267	D225-V227 PolarHBondContact O-N 3.19Å; D225-V227 VanDerWaalsContact O-N 3.11Å; V227-A230 PolarHBondContact O-N 2.87Å; V227-R231 HydrophobicContact CG2-CG 4.32Å; V227-R231 WeakPolarHBondContact O-CB 3.48Å; V227-R231 VanDerWaalsContact O-CG 3.28Å; V227-R231 WeakPolarHBondContact O-CG 3.38Å; V227-R231 PolarHBondContact O-N 3.38Å; V227-P263 HydrophobicContact CB-CB 3.93Å; V227-P263 HydrophobicContact CG1-CB 3.87Å; V227-P263 HydrophobicContact CG2-CB 4.17Å; V227-P263 WeakPolarHBondContact CG2-O 3.49Å; V227-C264 HydrophobicContact CB-CB 4.33Å; V227-F267 HydrophobicContact CG2-CB 3.93Å; V227-F267 HydrophobicContact CG2-CG 4.33Å
228	L	97.4	Very high	97.3	Very high	104 Å²	104	43.4 Å²	43.4	55%	0.545	21%	0.214	S	C	.	.	H	α-helix	trans	-65.9	-44.4	178.2	-67.6	-179.7	0	0	0	110.3	D226 M232	D226-L228 PolarHBondContact O-N 3.29Å; L228-M232 WeakPolarHBondContact O-CG 3.46Å; L228-M232 PolarHBondContact O-N 2.81Å; L228-M232 VanDerWaalsContact O-N 3.1Å
229	C	97.8	Very high	97.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.9	-42.9	175.8	-158.4	0	0	0	0	111.9	S221 D226 R231 M232 L233	S221-C229 WeakPolarHBondContact OG-CB 3.31Å; D226-C229 HydrophobicContact CB-CB 4.16Å; D226-C229 VanDerWaalsContact CG-CB 3.5Å; D226-C229 PolarHBondContact O-N 2.93Å; D226-C229 WeakPolarHBondContact OD1-CB 3.26Å; D226-C229 PolarHBondContact OD1-N 3.45Å; C229-R231 VanDerWaalsContact C-N 3.34Å; C229-R231 PolarHBondContact O-N 2.91Å; C229-M232 HydrophobicContact CB-CE 4.37Å; C229-M232 WeakPolarHBondContact O-CB 3.47Å; C229-M232 PolarHBondContact O-N 3.25Å; C229-M232 VanDerWaalsContact O-N 3.13Å; C229-L233 WeakPolarHBondContact O-CG 3.24Å; C229-L233 PolarHBondContact O-N 3.38Å
230	A	98.1	Very high	97.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-44.5	176.3	0	0	0	0	0	112.3	L218 D226 V227 L233 Y234 C264 F267	L218-A230 HydrophobicContact CD1-CB 3.86Å; D226-A230 PolarHBondContact O-N 2.91Å; V227-A230 PolarHBondContact O-N 2.87Å; A230-L233 PolarHBondContact O-N 3.4Å; A230-Y234 WeakPolarHBondContact O-CB 3.39Å; A230-Y234 PolarHBondContact O-N 3.03Å; A230-C264 VanDerWaalsContact CB-SG 3.55Å; A230-F267 HydrophobicContact CB-CD1 3.95Å; A230-F267 HydrophobicContact CB-CE1 3.92Å
231	R	98.3	Very high	97.2	Very high	107 Å²	107	51.4 Å²	51.4	40%	0.404	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-42	174.8	-74.5	178.3	-176	-76.9	-2.4	112.2	V227 C229 N235 F267	V227-R231 HydrophobicContact CG2-CG 4.32Å; V227-R231 WeakPolarHBondContact O-CB 3.48Å; V227-R231 VanDerWaalsContact O-CG 3.28Å; V227-R231 WeakPolarHBondContact O-CG 3.38Å; V227-R231 PolarHBondContact O-N 3.38Å; C229-R231 VanDerWaalsContact C-N 3.34Å; C229-R231 PolarHBondContact O-N 2.91Å; R231-N235 WeakPolarHBondContact O-CB 3.39Å; R231-N235 PolarHBondContact O-N 2.87Å; R231-N235 PolarHBondContact O-ND2 3.47Å; R231-F267 HydrophobicContact CB-CZ 4.38Å; R231-F267 HydrophobicContact CG-CD1 4.24Å; R231-F267 HydrophobicContact CG-CD2 3.89Å; R231-F267 HydrophobicContact CG-CE1 4.07Å; R231-F267 HydrophobicContact CG-CE2 3.7Å; R231-F267 HydrophobicContact CG-CG 4.15Å; R231-F267 HydrophobicContact CG-CZ 3.8Å
232	M	98.4	Very high	97.2	Very high	18 Å²	18	53 Å²	53	9%	0.089	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-48.1	174.7	-73.2	-171.7	-62.9	0	0	111.3	H193 C196 R197 L200 L228 C229 Y234 N235 Y236	H193-M232 HydrophobicContact CB-CE 3.91Å; C196-M232 HydrophobicContact CB-CE 3.79Å; R197-M232 HydrophobicContact CB-SD 4.03Å; L200-M232 HydrophobicContact CD1-CB 3.85Å; L228-M232 WeakPolarHBondContact O-CG 3.46Å; L228-M232 PolarHBondContact O-N 2.81Å; L228-M232 VanDerWaalsContact O-N 3.1Å; C229-M232 HydrophobicContact CB-CE 4.37Å; C229-M232 WeakPolarHBondContact O-CB 3.47Å; C229-M232 PolarHBondContact O-N 3.25Å; C229-M232 VanDerWaalsContact O-N 3.13Å; M232-Y234 PolarHBondContact O-N 3.33Å; M232-N235 PolarHBondContact O-N 2.65Å; M232-Y236 VanDerWaalsContact O-CD2 3.24Å; M232-Y236 WeakPolarHBondContact O-CD2 3.38Å; M232-Y236 PolarHBondContact O-N 3.12Å
233	L	98.6	Very high	97.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.1	-47.2	179.8	-70.5	169.6	0	0	0	111.9	L184 V188 L200 T206 P217 L218 S221 C229 A230 N235 Y236 G237 A238	L184-L233 HydrophobicContact CD1-CD2 4.26Å; L184-L233 HydrophobicContact CD2-CD2 3.97Å; L184-L233 HydrophobicContact CG-CD2 4.34Å; V188-L233 HydrophobicContact CG2-CD1 4.3Å; L200-L233 HydrophobicContact CD1-CD2 4.26Å; L200-L233 HydrophobicContact CD2-CD2 4.03Å; T206-L233 HydrophobicContact CG2-CD2 4.06Å; P217-L233 VanDerWaalsContact C-CD1 3.45Å; P217-L233 HydrophobicContact CB-CD1 3.72Å; P217-L233 HydrophobicContact CB-CD2 3.64Å; P217-L233 HydrophobicContact CB-CG 4.35Å; P217-L233 WeakPolarHBondContact O-CD1 3.44Å; L218-L233 HydrophobicContact CB-CD1 4.32Å; L218-L233 HydrophobicContact CD1-CB 4.25Å; L218-L233 HydrophobicContact CD1-CD1 4.33Å; S221-L233 VanDerWaalsContact OG-CD1 3.31Å; S221-L233 WeakPolarHBondContact OG-CD1 3.31Å; C229-L233 WeakPolarHBondContact O-CG 3.24Å; C229-L233 PolarHBondContact O-N 3.38Å; A230-L233 PolarHBondContact O-N 3.4Å; L233-N235 PolarHBondContact O-N 3.27Å; L233-Y236 CarbonylContact O-C 3.59Å; L233-Y236 PolarHBondContact O-N 2.96Å; L233-Y236 VanDerWaalsContact O-N 3.11Å; L233-G237 PolarHBondContact O-N 3.11Å; L233-A238 VanDerWaalsContact C-CB 3.47Å; L233-A238 HydrophobicContact CB-CB 3.85Å; L233-A238 VanDerWaalsContact O-CB 3.24Å; L233-A238 WeakPolarHBondContact O-CB 3.48Å; L233-A238 PolarHBondContact O-N 3.09Å
234	Y	98.3	Very high	97.3	Very high	81 Å²	81	57.3 Å²	57.3	32%	0.318	28%	0.277	S	S	.	.	H	α-helix	trans	-57.5	-47.5	175.9	176.1	-101.7	0	0	0	112.2	A230 M232 Y236 G237 T240 F267 V271	A230-Y234 WeakPolarHBondContact O-CB 3.39Å; A230-Y234 PolarHBondContact O-N 3.03Å; M232-Y234 PolarHBondContact O-N 3.33Å; Y234-Y236 PolarHBondContact O-N 2.93Å; Y234-Y236 VanDerWaalsContact O-N 3.08Å; Y234-G237 PolarHBondContact O-N 3.2Å; Y234-T240 HydrophobicContact CD2-CG2 3.73Å; Y234-T240 HydrophobicContact CE2-CG2 4.06Å; Y234-F267 HydrophobicContact CD1-CE2 4.49Å; Y234-F267 HydrophobicContact CD1-CZ 4.02Å; Y234-F267 AromaticContact CG-CZ 3.85Å; Y234-F267 HydrophobicContact CG-CZ 3.85Å; Y234-V271 HydrophobicContact CD1-CG1 4.3Å; Y234-V271 HydrophobicContact CD2-CB 4.18Å; Y234-V271 HydrophobicContact CD2-CG1 4.39Å; Y234-V271 HydrophobicContact CD2-CG2 4.14Å; Y234-V271 HydrophobicContact CE1-CB 4.48Å; Y234-V271 HydrophobicContact CE1-CG1 3.92Å; Y234-V271 HydrophobicContact CE2-CB 3.68Å; Y234-V271 HydrophobicContact CE2-CG1 4.02Å; Y234-V271 HydrophobicContact CE2-CG2 4.09Å
235	N	98.1	Very high	97.5	Very high	120 Å²	120	58.7 Å²	58.7	64%	0.642	28%	0.284	S	S	*	.	H	α-helix	trans	-62	-19.6	178.8	-72.1	-15.8	0	0	0	113.6	R231 M232 L233	R231-N235 WeakPolarHBondContact O-CB 3.39Å; R231-N235 PolarHBondContact O-N 2.87Å; R231-N235 PolarHBondContact O-ND2 3.47Å; M232-N235 PolarHBondContact O-N 2.65Å; L233-N235 PolarHBondContact O-N 3.27Å
236	Y	98.4	Very high	97.5	Very high	102 Å²	102	63.2 Å²	63.2	40%	0.4	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	17.1	177	-77.9	-101.5	0	0	0	112.8	L200 Q201 M232 L233 Y234	L200-Y236 VanDerWaalsContact C-CE1 3.49Å; L200-Y236 HydrophobicContact CB-CD1 3.71Å; L200-Y236 HydrophobicContact CB-CD2 4.04Å; L200-Y236 HydrophobicContact CB-CE1 3.94Å; L200-Y236 HydrophobicContact CB-CE2 4.25Å; L200-Y236 HydrophobicContact CB-CG 3.76Å; L200-Y236 HydrophobicContact CD1-CD2 4.18Å; L200-Y236 HydrophobicContact CD1-CG 4.36Å; L200-Y236 HydrophobicContact CD2-CG 4.34Å; L200-Y236 HydrophobicContact CG-CG 4.37Å; L200-Y236 WeakPolarHBondContact O-CD1 3.28Å; L200-Y236 WeakPolarHBondContact O-CE1 3.42Å; Q201-Y236 HydrophobicContact CG-CE1 4.45Å; Q201-Y236 VanDerWaalsContact CG-OH 3.27Å; Q201-Y236 WeakPolarHBondContact CG-OH 3.43Å; M232-Y236 VanDerWaalsContact O-CD2 3.24Å; M232-Y236 WeakPolarHBondContact O-CD2 3.38Å; M232-Y236 PolarHBondContact O-N 3.12Å; L233-Y236 CarbonylContact O-C 3.59Å; L233-Y236 PolarHBondContact O-N 2.96Å; L233-Y236 VanDerWaalsContact O-N 3.11Å; Y234-Y236 PolarHBondContact O-N 2.93Å; Y234-Y236 VanDerWaalsContact O-N 3.08Å
237	G	97.5	Very high	97.6	Very high	49 Å²	49	63.9 Å²	63.9	51%	0.505	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	22.4	169.5	0	0	0	0	0	115.6	T206 N207 L233 Y234 D239	T206-G237 PolarHBondContact OG1-O 3.06Å; N207-G237 PolarHBondContact ND2-O 3.07Å; L233-G237 PolarHBondContact O-N 3.11Å; Y234-G237 PolarHBondContact O-N 3.2Å; G237-D239 PolarHBondContact O-N 2.95Å
238	A	98.1	Very high	97.6	Very high	6 Å²	6	65.2 Å²	65.2	5%	0.05	32%	0.318	C	S	.	.			trans	-63.6	126.6	169.5	0	0	0	0	0	110.8	T206 L218 L233 T240	T206-A238 HydrophobicContact CG2-CB 4.41Å; T206-A238 WeakPolarHBondContact OG1-CA 3.22Å; T206-A238 PolarHBondContact OG1-N 2.92Å; L218-A238 HydrophobicContact CB-CB 4.24Å; L218-A238 HydrophobicContact CD2-CB 4.02Å; L233-A238 VanDerWaalsContact C-CB 3.47Å; L233-A238 HydrophobicContact CB-CB 3.85Å; L233-A238 VanDerWaalsContact O-CB 3.24Å; L233-A238 WeakPolarHBondContact O-CB 3.48Å; L233-A238 PolarHBondContact O-N 3.09Å; A238-T240 PolarHBondContact O-N 3.25Å
239	D	97.7	Very high	97.7	Very high	67 Å²	67	61.4 Å²	61.4	36%	0.358	30%	0.299	S	S	.	.			trans	-73.9	116.8	175.7	172.4	20.7	0	0	0	110.3	N207 G237 N241 T242	N207-D239 PolarHBondContact OD1-N 3.24Å; G237-D239 PolarHBondContact O-N 2.95Å; D239-N241 PolarHBondContact O-N 3.3Å; D239-N241 WeakPolarHBondContact OD1-CB 3.47Å; D239-N241 PolarHBondContact OD1-N 3.38Å; D239-T242 WeakPolarHBondContact CB-OG1 3.33Å; D239-T242 VanDerWaalsContact CG-OG1 3.28Å; D239-T242 PolarHBondContact OD2-N 3.45Å; D239-T242 VanDerWaalsContact OD2-N 3.16Å; D239-T242 PolarHBondContact OD2-OG1 3.12Å
240	T	97.3	Very high	97.7	Very high	13 Å²	13	61.4 Å²	61.4	8%	0.08	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.6	-179.2	55.3	0	0	0	0	113.2	L218 Y234 A238 P250 V271	L218-T240 HydrophobicContact CD2-CG2 3.94Å; Y234-T240 HydrophobicContact CD2-CG2 3.73Å; Y234-T240 HydrophobicContact CE2-CG2 4.06Å; A238-T240 PolarHBondContact O-N 3.25Å; T240-P250 WeakPolarHBondContact O-CD 3.34Å; T240-V271 HydrophobicContact CG2-CG2 3.77Å
241	N	96.3	Very high	97.6	Very high	98 Å²	98	63 Å²	63	52%	0.524	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-2.2	-177.1	-65	-50.8	0	0	0	113.6	D239 R243	D239-N241 PolarHBondContact O-N 3.3Å; D239-N241 WeakPolarHBondContact OD1-CB 3.47Å; D239-N241 PolarHBondContact OD1-N 3.38Å; N241-R243 PolarHBondContact O-N 3.09Å
242	T	97.3	Very high	97.5	Very high	32 Å²	32	59.7 Å²	59.7	20%	0.196	30%	0.303	C	S	.	.			trans	-55.1	135.6	175.2	-66.5	0	0	0	0	109.8	T216 H219 D239 T249 P250	T216-T242 HydrophobicContact CG2-CG2 3.63Å; H219-T242 PolarHBondContact CE1-O 3.32Å; H219-T242 PolarHBondContact NE2-O 3.18Å; D239-T242 WeakPolarHBondContact CB-OG1 3.33Å; D239-T242 VanDerWaalsContact CG-OG1 3.28Å; D239-T242 PolarHBondContact OD2-N 3.45Å; D239-T242 VanDerWaalsContact OD2-N 3.16Å; D239-T242 PolarHBondContact OD2-OG1 3.12Å; T242-T249 WeakPolarHBondContact O-CA 3.41Å; T242-P250 WeakPolarHBondContact O-CD 3.42Å
243	R	97.3	Very high	97.4	Very high	176 Å²	176	58.9 Å²	58.9	66%	0.664	30%	0.299	S	S	*	.			trans	-102.5	132	177.5	-68	-179.4	177.7	-115.7	7.5	110.8	N241 G247 Q248 T249	N241-R243 PolarHBondContact O-N 3.09Å; R243-G247 PolarHBondContact NH1-O 2.93Å; R243-Q248 WeakPolarHBondContact CA-O 3.44Å; R243-T249 HydrophobicContact CG-CG2 4.1Å
244	N	97.1	Very high	97.2	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.037	30%	0.299	C	S	.	.			trans	-71.2	-179.3	168	75	9	0	0	0	111.1	D213 Q215 E246 G247 Q248	D213-N244 WeakPolarHBondContact O-CB 3.43Å; Q215-N244 HydrophobicContact CG-CB 4.49Å; Q215-N244 PolarHBondContact NE2-ND2 3.32Å; Q215-N244 PolarHBondContact OE1-ND2 3.09Å; N244-E246 PolarHBondContact O-N 3.27Å; N244-E246 WeakPolarHBondContact OD1-CA 3.28Å; N244-E246 WeakPolarHBondContact OD1-CB 3.27Å; N244-E246 PolarHBondContact OD1-N 2.94Å; N244-G247 WeakPolarHBondContact O-CA 3.46Å; N244-G247 PolarHBondContact O-N 3.02Å; N244-G247 PolarHBondContact OD1-N 3Å; N244-G247 VanDerWaalsContact OD1-N 3.11Å; N244-Q248 PolarHBondContact N-O 2.95Å; N244-Q248 PolarHBondContact ND2-OE1 3.22Å; N244-Q248 VanDerWaalsContact ND2-OE1 3.14Å; N244-Q248 PolarHBondContact OD1-N 2.84Å; N244-Q248 PolarHBondContact OD1-O 2.94Å
245	Y	97.6	Very high	96.9	Very high	159 Å²	159	59.4 Å²	59.4	62%	0.624	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.4	-177.8	-61.3	-15.6	0	0	0	114.1	L211 D213	L211-Y245 WeakPolarHBondContact O-CE2 3.38Å; D213-Y245 VanDerWaalsContact CA-CD2 3.41Å; D213-Y245 PolarHBondContact O-N 3.04Å
246	E	96.3	Very high	96.4	Very high	144 Å²	144	57.8 Å²	57.8	67%	0.673	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	2.2	170.2	-58.2	-173.3	168.7	0	0	112.4	N244 Q248	N244-E246 PolarHBondContact O-N 3.27Å; N244-E246 WeakPolarHBondContact OD1-CA 3.28Å; N244-E246 WeakPolarHBondContact OD1-CB 3.27Å; N244-E246 PolarHBondContact OD1-N 2.94Å; E246-Q248 VanDerWaalsContact C-N 3.27Å; E246-Q248 HydrophobicContact CB-CG 4.2Å; E246-Q248 PolarHBondContact O-N 3.49Å; E246-Q248 PolarHBondContact OE2-NE2 3.41Å; E246-Q248 PolarHBondContact OE2-OE1 3.11Å
247	G	97.2	Very high	95.9	Very high	30 Å²	30	54.9 Å²	54.9	31%	0.309	30%	0.296	S	S	.	.	S	Bend	trans	76.9	8.1	-179.6	0	0	0	0	0	114.5	R243 N244	R243-G247 PolarHBondContact NH1-O 2.93Å; N244-G247 WeakPolarHBondContact O-CA 3.46Å; N244-G247 PolarHBondContact O-N 3.02Å; N244-G247 PolarHBondContact OD1-N 3Å; N244-G247 VanDerWaalsContact OD1-N 3.11Å
248	Q	97.6	Very high	94.7	Very high	56 Å²	56	58.3 Å²	58.3	26%	0.262	31%	0.312	S	S	.	.			trans	-83.3	140	-179.9	-58	167.6	-22.9	0	0	110.3	H219 R243 N244 E246 A252 V253	H219-Q248 PolarHBondContact NE2-O 3.47Å; R243-Q248 WeakPolarHBondContact CA-O 3.44Å; N244-Q248 PolarHBondContact N-O 2.95Å; N244-Q248 PolarHBondContact ND2-OE1 3.22Å; N244-Q248 VanDerWaalsContact ND2-OE1 3.14Å; N244-Q248 PolarHBondContact OD1-N 2.84Å; N244-Q248 PolarHBondContact OD1-O 2.94Å; E246-Q248 VanDerWaalsContact C-N 3.27Å; E246-Q248 HydrophobicContact CB-CG 4.2Å; E246-Q248 PolarHBondContact O-N 3.49Å; E246-Q248 PolarHBondContact OE2-NE2 3.41Å; E246-Q248 PolarHBondContact OE2-OE1 3.11Å; Q248-A252 HydrophobicContact CB-CB 4.12Å; Q248-V253 HydrophobicContact CB-CG2 3.93Å
249	T	97.9	Very high	93.6	Very high	25 Å²	25	60.4 Å²	60.4	15%	0.153	33%	0.334	C	S	.	.			trans	-85.1	167.8	166.2	63.5	0	0	0	0	110.6	T242 R243 L251 A252 V253	T242-T249 WeakPolarHBondContact O-CA 3.41Å; R243-T249 HydrophobicContact CG-CG2 4.1Å; T249-L251 PolarHBondContact O-N 3.21Å; T249-A252 PolarHBondContact O-N 2.91Å; T249-A252 PolarHBondContact OG1-N 2.97Å; T249-V253 PolarHBondContact O-N 2.95Å
250	P	97.8	Very high	92.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-54.1	-38.6	171.6	-27.1	34.4	0	0	0	113.1	L218 H219 A222 T240 T242 V253 S254 L268	L218-P250 HydrophobicContact CB-CB 4.47Å; L218-P250 HydrophobicContact CB-CG 4.17Å; L218-P250 HydrophobicContact CD2-CB 4.17Å; L218-P250 HydrophobicContact CD2-CG 3.95Å; L218-P250 HydrophobicContact CG-CB 3.85Å; L218-P250 HydrophobicContact CG-CG 3.91Å; H219-P250 WeakPolarHBondContact NE2-CD 3.33Å; A222-P250 HydrophobicContact CB-CB 4.4Å; A222-P250 VanDerWaalsContact CB-O 3.28Å; A222-P250 WeakPolarHBondContact CB-O 3.29Å; T240-P250 WeakPolarHBondContact O-CD 3.34Å; T242-P250 WeakPolarHBondContact O-CD 3.42Å; P250-V253 PolarHBondContact O-N 3.25Å; P250-S254 PolarHBondContact O-N 3.08Å; P250-L268 HydrophobicContact CB-CD1 4.2Å; P250-L268 HydrophobicContact CB-CD2 4.33Å
251	L	97.3	Very high	91.6	Very high	32 Å²	32	67 Å²	67	17%	0.168	39%	0.386	C	S	.	.	H	α-helix	trans	-62.8	-45.9	174.8	175.3	60.2	0	0	0	111.6	T249 V253 S254 I255 L265 L268 Q269	T249-L251 PolarHBondContact O-N 3.21Å; L251-V253 VanDerWaalsContact C-N 3.35Å; L251-V253 PolarHBondContact O-N 3.14Å; L251-S254 WeakPolarHBondContact O-CB 3.43Å; L251-S254 PolarHBondContact O-N 3.38Å; L251-S254 VanDerWaalsContact O-N 3.1Å; L251-I255 HydrophobicContact CD1-CD1 4.28Å; L251-I255 HydrophobicContact CD1-CG1 4.38Å; L251-I255 HydrophobicContact CG-CD1 4.14Å; L251-I255 WeakPolarHBondContact O-CG1 3.47Å; L251-I255 PolarHBondContact O-N 2.56Å; L251-L265 HydrophobicContact CD1-CD1 3.52Å; L251-L268 HydrophobicContact CB-CB 4.26Å; L251-L268 HydrophobicContact CD1-CB 3.92Å; L251-Q269 HydrophobicContact CD1-CG 3.61Å
252	A	96.4	Very high	91.2	Very high	38 Å²	38	64.9 Å²	64.9	31%	0.314	37%	0.37	S	S	.	.	H	α-helix	trans	-63.1	-40.5	178.8	0	0	0	0	0	112.1	Q248 T249 S254 I255 S256	Q248-A252 HydrophobicContact CB-CB 4.12Å; T249-A252 PolarHBondContact O-N 2.91Å; T249-A252 PolarHBondContact OG1-N 2.97Å; A252-S254 VanDerWaalsContact C-N 3.31Å; A252-I255 PolarHBondContact O-N 2.9Å; A252-S256 PolarHBondContact O-N 3.26Å
253	V	95.1	Very high	91.1	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.012	38%	0.375	C	S	.	.	H	α-helix	trans	-61.3	-42.4	171.3	171.5	0	0	0	0	110.6	A222 L223 Q248 T249 P250 L251 I255 S256	A222-V253 HydrophobicContact CB-CG1 4.39Å; L223-V253 HydrophobicContact CB-CG1 3.84Å; L223-V253 HydrophobicContact CD1-CG1 4.09Å; Q248-V253 HydrophobicContact CB-CG2 3.93Å; T249-V253 PolarHBondContact O-N 2.95Å; P250-V253 PolarHBondContact O-N 3.25Å; L251-V253 VanDerWaalsContact C-N 3.35Å; L251-V253 PolarHBondContact O-N 3.14Å; V253-I255 VanDerWaalsContact C-N 3.33Å; V253-I255 PolarHBondContact O-N 3.35Å; V253-S256 PolarHBondContact O-N 2.87Å; V253-S256 PolarHBondContact O-OG 3.11Å
254	S	94	Very high	91	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-59.9	-44.5	177.9	-164.3	0	0	0	0	111	P250 L251 A252 S256 I257 R262 L265	P250-S254 PolarHBondContact O-N 3.08Å; L251-S254 WeakPolarHBondContact O-CB 3.43Å; L251-S254 PolarHBondContact O-N 3.38Å; L251-S254 VanDerWaalsContact O-N 3.1Å; A252-S254 VanDerWaalsContact C-N 3.31Å; S254-S256 VanDerWaalsContact C-N 3.33Å; S254-S256 PolarHBondContact O-N 3.43Å; S254-I257 WeakPolarHBondContact O-CB 3.38Å; S254-I257 WeakPolarHBondContact O-CG1 3.43Å; S254-I257 PolarHBondContact O-N 2.92Å; S254-R262 PolarHBondContact O-NH2 3.12Å; S254-L265 VanDerWaalsContact OG-CA 3.24Å; S254-L265 WeakPolarHBondContact OG-CA 3.16Å; S254-L265 WeakPolarHBondContact OG-CB 3.36Å; S254-L265 PolarHBondContact OG-N 3.47Å
255	I	93.3	Very high	90.9	Very high	92 Å²	92	57.5 Å²	57.5	47%	0.472	35%	0.345	S	S	.	.	H	α-helix	trans	-60.6	-30.7	-179	-69.1	167.4	0	0	0	113.8	L251 A252 V253 I257 R262 L265	L251-I255 HydrophobicContact CD1-CD1 4.28Å; L251-I255 HydrophobicContact CD1-CG1 4.38Å; L251-I255 HydrophobicContact CG-CD1 4.14Å; L251-I255 WeakPolarHBondContact O-CG1 3.47Å; L251-I255 PolarHBondContact O-N 2.56Å; A252-I255 PolarHBondContact O-N 2.9Å; V253-I255 VanDerWaalsContact C-N 3.33Å; V253-I255 PolarHBondContact O-N 3.35Å; I255-I257 VanDerWaalsContact C-N 3.27Å; I255-I257 PolarHBondContact O-N 3.11Å; I255-R262 PolarHBondContact O-NH1 3.26Å; I255-R262 PolarHBondContact O-NH2 3.2Å; I255-L265 HydrophobicContact CD1-CD1 4.46Å; I255-L265 HydrophobicContact CG1-CD1 3.5Å
256	S	87.4	Confident	90.8	Very high	85 Å²	85	54.5 Å²	54.5	59%	0.594	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-12.2	-178.4	66.3	0	0	0	0	114.2	A252 V253 S254	A252-S256 PolarHBondContact O-N 3.26Å; V253-S256 PolarHBondContact O-N 2.87Å; V253-S256 PolarHBondContact O-OG 3.11Å; S254-S256 VanDerWaalsContact C-N 3.33Å; S254-S256 PolarHBondContact O-N 3.43Å
257	I	86.6	Confident	90.8	Very high	42 Å²	42	48 Å²	48	22%	0.215	31%	0.309	C	S	.	.	S	Bend	trans	-75.2	136.7	-179.9	-55.7	164.5	0	0	0	111	A222 L223 S254 I255 R262	A222-I257 WeakPolarHBondContact O-CD1 3.01Å; L223-I257 WeakPolarHBondContact O-CD1 3.24Å; S254-I257 WeakPolarHBondContact O-CB 3.38Å; S254-I257 WeakPolarHBondContact O-CG1 3.43Å; S254-I257 PolarHBondContact O-N 2.92Å; I255-I257 VanDerWaalsContact C-N 3.27Å; I255-I257 PolarHBondContact O-N 3.11Å; I257-R262 PolarHBondContact O-NH1 2.94Å; I257-R262 PolarHBondContact O-NH2 2.97Å
258	S	72.8	Confident	90.8	Very high	121 Å²	121	46.5 Å²	46.5	85%	0.846	30%	0.295	S	S	*	.			trans	-89	128.8	172	52.1	0	0	0	0	111
259	G	75.8	Confident	90.8	Very high	49 Å²	49	48.3 Å²	48.3	51%	0.505	30%	0.303	S	S	.	.			trans	175.3	150.9	179.3	0	0	0	0	0	112.6
260	S	72.9	Confident	90.7	Very high	139 Å²	139	52.1 Å²	52.1	97%	0.972	32%	0.319	S	S	*	.	S	Bend	trans	-81.6	-27.2	-179.7	50	0	0	0	0	113.8
261	S	79.3	Confident	90.6	Very high	80 Å²	80	52.4 Å²	52.4	56%	0.559	32%	0.321	S	S	*	.			trans	-119.8	130.4	172.9	173	0	0	0	0	107.9
262	R	88.6	Confident	90.4	Very high	53 Å²	53	52.7 Å²	52.7	20%	0.2	32%	0.324	C	S	.	.			trans	-138.5	63.4	-175.6	-56.2	173.5	74.2	168.7	14.5	111.1	S254 I255 I257 C264 L265 D266	S254-R262 PolarHBondContact O-NH2 3.12Å; I255-R262 PolarHBondContact O-NH1 3.26Å; I255-R262 PolarHBondContact O-NH2 3.2Å; I257-R262 PolarHBondContact O-NH1 2.94Å; I257-R262 PolarHBondContact O-NH2 2.97Å; R262-C264 PolarHBondContact O-N 2.97Å; R262-C264 VanDerWaalsContact O-N 3.12Å; R262-L265 HydrophobicContact CB-CB 3.69Å; R262-L265 HydrophobicContact CB-CD2 4.28Å; R262-L265 WeakPolarHBondContact O-CA 3.38Å; R262-L265 VanDerWaalsContact O-CB 3.32Å; R262-L265 WeakPolarHBondContact O-CB 2.94Å; R262-L265 PolarHBondContact O-N 3.46Å; R262-D266 PolarHBondContact O-N 2.9Å; R262-D266 VanDerWaalsContact O-N 3.11Å
263	P	94.8	Very high	89.8	Confident	45 Å²	45	55.6 Å²	55.6	29%	0.292	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-27.6	-172.9	-22.6	36.7	0	0	0	113.1	D225 V227 F267	D225-P263 WeakPolarHBondContact OD1-CD 3.38Å; D225-P263 WeakPolarHBondContact OD2-CD 3.48Å; V227-P263 HydrophobicContact CB-CB 3.93Å; V227-P263 HydrophobicContact CG1-CB 3.87Å; V227-P263 HydrophobicContact CG2-CB 4.17Å; V227-P263 WeakPolarHBondContact CG2-O 3.49Å; P263-F267 VanDerWaalsContact O-CB 3.29Å; P263-F267 WeakPolarHBondContact O-CB 3.29Å; P263-F267 PolarHBondContact O-N 3.1Å; P263-F267 VanDerWaalsContact O-N 3.11Å
264	C	94.7	Very high	88.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-73.6	-32.9	175.1	-163.2	0	0	0	0	112.1	D225 V227 A230 R262 L268	D225-C264 WeakPolarHBondContact OD1-CB 3.24Å; D225-C264 PolarHBondContact OD1-N 2.89Å; V227-C264 HydrophobicContact CB-CB 4.33Å; A230-C264 VanDerWaalsContact CB-SG 3.55Å; R262-C264 PolarHBondContact O-N 2.97Å; R262-C264 VanDerWaalsContact O-N 3.12Å; C264-L268 WeakPolarHBondContact O-CB 3.46Å; C264-L268 WeakPolarHBondContact O-CD1 3.2Å; C264-L268 WeakPolarHBondContact O-CG 3.47Å; C264-L268 PolarHBondContact O-N 2.92Å
265	L	95.8	Very high	88.5	Confident	15 Å²	15	67 Å²	67	8%	0.079	40%	0.401	C	S	.	.	H	α-helix	trans	-63.8	-52.4	173.6	174.3	60.4	0	0	0	110	L251 S254 I255 R262 F267 L268 Q269	L251-L265 HydrophobicContact CD1-CD1 3.52Å; S254-L265 VanDerWaalsContact OG-CA 3.24Å; S254-L265 WeakPolarHBondContact OG-CA 3.16Å; S254-L265 WeakPolarHBondContact OG-CB 3.36Å; S254-L265 PolarHBondContact OG-N 3.47Å; I255-L265 HydrophobicContact CD1-CD1 4.46Å; I255-L265 HydrophobicContact CG1-CD1 3.5Å; R262-L265 HydrophobicContact CB-CB 3.69Å; R262-L265 HydrophobicContact CB-CD2 4.28Å; R262-L265 WeakPolarHBondContact O-CA 3.38Å; R262-L265 VanDerWaalsContact O-CB 3.32Å; R262-L265 WeakPolarHBondContact O-CB 2.94Å; R262-L265 PolarHBondContact O-N 3.46Å; L265-F267 VanDerWaalsContact C-N 3.28Å; L265-F267 PolarHBondContact O-N 3.02Å; L265-L268 PolarHBondContact O-N 3.38Å; L265-L268 VanDerWaalsContact O-N 3.12Å; L265-Q269 HydrophobicContact CD1-CG 4.08Å; L265-Q269 HydrophobicContact CG-CG 4.47Å; L265-Q269 WeakPolarHBondContact O-CG 3.32Å; L265-Q269 PolarHBondContact O-N 3.42Å
266	D	95.3	Very high	88.2	Confident	97 Å²	97	65.7 Å²	65.7	52%	0.519	40%	0.398	S	S	.	.	H	α-helix	trans	-57.1	-45.6	-179.1	-59.5	-25.4	0	0	0	110.6	R262 Q269 E270	R262-D266 PolarHBondContact O-N 2.9Å; R262-D266 VanDerWaalsContact O-N 3.11Å; D266-Q269 PolarHBondContact O-N 2.71Å; D266-E270 PolarHBondContact O-N 2.54Å; D266-E270 VanDerWaalsContact O-N 3.08Å
267	F	97.4	Very high	88.2	Confident	6 Å²	6	64.6 Å²	64.6	3%	0.026	39%	0.387	C	S	.	.	H	α-helix	trans	-60.5	-47.3	175.5	170	-113.4	0	0	0	112.6	V227 A230 R231 Y234 P263 L265 Q269 E270 V271	V227-F267 HydrophobicContact CG2-CB 3.93Å; V227-F267 HydrophobicContact CG2-CG 4.33Å; A230-F267 HydrophobicContact CB-CD1 3.95Å; A230-F267 HydrophobicContact CB-CE1 3.92Å; R231-F267 HydrophobicContact CB-CZ 4.38Å; R231-F267 HydrophobicContact CG-CD1 4.24Å; R231-F267 HydrophobicContact CG-CD2 3.89Å; R231-F267 HydrophobicContact CG-CE1 4.07Å; R231-F267 HydrophobicContact CG-CE2 3.7Å; R231-F267 HydrophobicContact CG-CG 4.15Å; R231-F267 HydrophobicContact CG-CZ 3.8Å; Y234-F267 HydrophobicContact CD1-CE2 4.49Å; Y234-F267 HydrophobicContact CD1-CZ 4.02Å; Y234-F267 AromaticContact CG-CZ 3.85Å; Y234-F267 HydrophobicContact CG-CZ 3.85Å; P263-F267 VanDerWaalsContact O-CB 3.29Å; P263-F267 WeakPolarHBondContact O-CB 3.29Å; P263-F267 PolarHBondContact O-N 3.1Å; P263-F267 VanDerWaalsContact O-N 3.11Å; L265-F267 VanDerWaalsContact C-N 3.28Å; L265-F267 PolarHBondContact O-N 3.02Å; F267-Q269 VanDerWaalsContact C-N 3.33Å; F267-Q269 PolarHBondContact O-N 3.12Å; F267-E270 WeakPolarHBondContact O-CB 3.38Å; F267-E270 PolarHBondContact O-N 3.37Å; F267-V271 HydrophobicContact CD2-CG1 3.97Å; F267-V271 HydrophobicContact CE1-CG2 4.36Å; F267-V271 HydrophobicContact CE2-CG1 3.37Å; F267-V271 HydrophobicContact CE2-CG2 4.41Å; F267-V271 HydrophobicContact CZ-CG1 3.79Å; F267-V271 HydrophobicContact CZ-CG2 4.16Å; F267-V271 WeakPolarHBondContact O-CG2 3.46Å; F267-V271 PolarHBondContact O-N 3.48Å
268	L	96.9	Very high	88.3	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-67.9	-33.4	-178.4	-73.1	168.8	0	0	0	112.2	L218 A222 P250 L251 C264 L265 V271 T272	L218-L268 HydrophobicContact CD1-CD2 4.24Å; L218-L268 HydrophobicContact CD2-CD2 4.25Å; L218-L268 HydrophobicContact CG-CD2 4.35Å; A222-L268 HydrophobicContact CB-CD1 3.76Å; P250-L268 HydrophobicContact CB-CD1 4.2Å; P250-L268 HydrophobicContact CB-CD2 4.33Å; L251-L268 HydrophobicContact CB-CB 4.26Å; L251-L268 HydrophobicContact CD1-CB 3.92Å; C264-L268 WeakPolarHBondContact O-CB 3.46Å; C264-L268 WeakPolarHBondContact O-CD1 3.2Å; C264-L268 WeakPolarHBondContact O-CG 3.47Å; C264-L268 PolarHBondContact O-N 2.92Å; L265-L268 PolarHBondContact O-N 3.38Å; L265-L268 VanDerWaalsContact O-N 3.12Å; L268-V271 HydrophobicContact CD2-CG2 4.39Å; L268-T272 WeakPolarHBondContact O-CB 3.09Å; L268-T272 WeakPolarHBondContact O-CG2 3.41Å; L268-T272 PolarHBondContact O-N 3.37Å; L268-T272 VanDerWaalsContact O-N 3.09Å; L268-T272 PolarHBondContact O-OG1 3.26Å
269	Q	95.9	Very high	89.3	Confident	94 Å²	94	62.5 Å²	62.5	44%	0.439	37%	0.369	S	S	.	.	H	α-helix	trans	-63.4	-44.6	172.4	-72.9	177.7	-28.9	0	0	111.3	L251 L265 D266 F267 T272 S273	L251-Q269 HydrophobicContact CD1-CG 3.61Å; L265-Q269 HydrophobicContact CD1-CG 4.08Å; L265-Q269 HydrophobicContact CG-CG 4.47Å; L265-Q269 WeakPolarHBondContact O-CG 3.32Å; L265-Q269 PolarHBondContact O-N 3.42Å; D266-Q269 PolarHBondContact O-N 2.71Å; F267-Q269 VanDerWaalsContact C-N 3.33Å; F267-Q269 PolarHBondContact O-N 3.12Å; Q269-T272 PolarHBondContact O-OG1 2.74Å; Q269-S273 WeakPolarHBondContact O-CB 3.45Å; Q269-S273 PolarHBondContact O-N 3.33Å; Q269-S273 PolarHBondContact O-OG 3.29Å
270	E	96	Very high	90.2	Very high	104 Å²	104	63.4 Å²	63.4	49%	0.486	36%	0.36	S	S	.	.	H	α-helix	trans	-56.9	-55.9	175.9	-174.8	-172.4	174.5	0	0	110.6	D266 F267 T272 S273 M274	D266-E270 PolarHBondContact O-N 2.54Å; D266-E270 VanDerWaalsContact O-N 3.08Å; F267-E270 WeakPolarHBondContact O-CB 3.38Å; F267-E270 PolarHBondContact O-N 3.37Å; E270-T272 PolarHBondContact O-N 3.5Å; E270-S273 PolarHBondContact O-N 3.42Å; E270-S273 PolarHBondContact O-OG 3.35Å; E270-M274 HydrophobicContact CG-CE 4.43Å
271	V	95.8	Very high	91.4	Very high	7 Å²	7	58 Å²	58	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-77.6	-16.7	-171.8	-59.3	0	0	0	0	115.6	Y234 T240 F267 L268 M274	Y234-V271 HydrophobicContact CD1-CG1 4.3Å; Y234-V271 HydrophobicContact CD2-CB 4.18Å; Y234-V271 HydrophobicContact CD2-CG1 4.39Å; Y234-V271 HydrophobicContact CD2-CG2 4.14Å; Y234-V271 HydrophobicContact CE1-CB 4.48Å; Y234-V271 HydrophobicContact CE1-CG1 3.92Å; Y234-V271 HydrophobicContact CE2-CB 3.68Å; Y234-V271 HydrophobicContact CE2-CG1 4.02Å; Y234-V271 HydrophobicContact CE2-CG2 4.09Å; T240-V271 HydrophobicContact CG2-CG2 3.77Å; F267-V271 HydrophobicContact CD2-CG1 3.97Å; F267-V271 HydrophobicContact CE1-CG2 4.36Å; F267-V271 HydrophobicContact CE2-CG1 3.37Å; F267-V271 HydrophobicContact CE2-CG2 4.41Å; F267-V271 HydrophobicContact CZ-CG1 3.79Å; F267-V271 HydrophobicContact CZ-CG2 4.16Å; F267-V271 WeakPolarHBondContact O-CG2 3.46Å; F267-V271 PolarHBondContact O-N 3.48Å; L268-V271 HydrophobicContact CD2-CG2 4.39Å; V271-M274 HydrophobicContact CB-CE 4.14Å; V271-M274 HydrophobicContact CG1-CE 3.85Å
272	T	92.7	Very high	92.4	Very high	38 Å²	38	56.3 Å²	56.3	23%	0.233	30%	0.297	C	S	.	.	H	α-helix	trans	-88.2	-12.9	174.8	52.9	0	0	0	0	113.1	L268 Q269 E270	L268-T272 WeakPolarHBondContact O-CB 3.09Å; L268-T272 WeakPolarHBondContact O-CG2 3.41Å; L268-T272 PolarHBondContact O-N 3.37Å; L268-T272 VanDerWaalsContact O-N 3.09Å; L268-T272 PolarHBondContact O-OG1 3.26Å; Q269-T272 PolarHBondContact O-OG1 2.74Å; E270-T272 PolarHBondContact O-N 3.5Å
273	S	85.1	Confident	92.7	Very high	98 Å²	98	56.6 Å²	56.6	69%	0.685	31%	0.305	S	S	*	.			trans	-91.7	-10.1	178.9	70.5	0	0	0	0	114.4	Q269 E270	Q269-S273 WeakPolarHBondContact O-CB 3.45Å; Q269-S273 PolarHBondContact O-N 3.33Å; Q269-S273 PolarHBondContact O-OG 3.29Å; E270-S273 PolarHBondContact O-N 3.42Å; E270-S273 PolarHBondContact O-OG 3.35Å
274	M	72	Confident	92.5	Very high	175 Å²	175	57.6 Å²	57.6	86%	0.862	31%	0.307	S	S	*	.			trans	-88.5	0	176.5	-68.2	-170.5	-80.9	0	0	111.6	E270 V271	E270-M274 HydrophobicContact CG-CE 4.43Å; V271-M274 HydrophobicContact CB-CE 4.14Å; V271-M274 HydrophobicContact CG1-CE 3.85Å

Retrieved 274 of 274 residues in 143 ms (Link to these results)

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