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Protein kinase OspG

Effector proteins function to alter host cell physiology and promote bacterial survival in host tissues. This protein is a kinase that is involved in down-regulation of the host innate response induced by invasive bacteria (By similarity).

AlphaFold DB , UniProt , Accession Q326Z4, Species SHIDS (Shigella dysenteriae serotype 1 (strain Sd197)), Gene ospG, Length 196 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.2	Very low	38.8	Very low	241 Å²	241	142.1 Å²	142.1	100%	1.187	76%	0.764	S	S	*	*				0	115.8	0	-151.2	165.2	175.1	0	0	106.3
2	K	35.6	Very low	39.2	Very low	206 Å²	206	138.6 Å²	138.6	90%	0.896	74%	0.736	S	S	*	*			trans	-76.4	129.8	-175.9	-86.2	-180	172.5	-179.3	0	109.2
3	I	33.9	Very low	38.9	Very low	158 Å²	158	136.8 Å²	136.8	81%	0.81	74%	0.738	S	S	*	*			trans	-74.6	118.4	178	-56.5	169.4	0	0	0	107.5
4	T	37.9	Very low	39.1	Very low	122 Å²	122	137.4 Å²	137.4	75%	0.748	73%	0.73	S	S	*	*			trans	-93.2	101.2	166.2	43.2	0	0	0	0	107.7	T6	T4-T6 PolarHBondContact O-N 3.08Å; T4-T6 VanDerWaalsContact O-N 3.14Å
5	S	37.5	Very low	38.7	Very low	110 Å²	110	138.3 Å²	138.3	77%	0.769	73%	0.729	S	S	*	*			trans	-62.5	110.4	167.6	-64	0	0	0	0	108.2
6	T	37.6	Very low	38.4	Very low	116 Å²	116	139.6 Å²	139.6	71%	0.712	74%	0.736	S	S	*	*			trans	-86.1	115.8	172.6	-44.4	0	0	0	0	105.8	T4 I8	T4-T6 PolarHBondContact O-N 3.08Å; T4-T6 VanDerWaalsContact O-N 3.14Å; T6-I8 PolarHBondContact O-N 3.25Å; T6-I8 VanDerWaalsContact O-N 3.08Å
7	I	38.6	Very low	37.9	Very low	149 Å²	149	137.7 Å²	137.7	76%	0.764	73%	0.727	S	S	*	*			trans	-63.7	108.5	172.8	-63.5	167.4	0	0	0	106.1	Q9	I7-Q9 PolarHBondContact O-N 2.94Å
8	I	43.4	Very low	37.7	Very low	97 Å²	97	137.2 Å²	137.2	50%	0.497	73%	0.725	S	S	.	*			trans	-78.4	99.9	171.6	-64.1	168.2	0	0	0	105.8	T6 T10 E131	T6-I8 PolarHBondContact O-N 3.25Å; T6-I8 VanDerWaalsContact O-N 3.08Å; I8-T10 PolarHBondContact O-N 3.42Å; I8-E131 VanDerWaalsContact CD1-CD 3.49Å; I8-E131 WeakPolarHBondContact CD1-OE1 3.2Å; I8-E131 WeakPolarHBondContact CD1-OE2 3.39Å
9	Q	35.9	Very low	37.4	Very low	172 Å²	172	135.3 Å²	135.3	80%	0.804	72%	0.723	S	S	*	*			trans	-65.3	113.8	164.2	-76.8	176	-52.3	0	0	107.2	I7	I7-Q9 PolarHBondContact O-N 2.94Å
10	T	45.4	Very low	37.6	Very low	98 Å²	98	135.9 Å²	135.9	60%	0.601	72%	0.722	S	S	*	*			trans	-53.1	137.5	158.1	42.2	0	0	0	0	107.7	I8 F12	I8-T10 PolarHBondContact O-N 3.42Å; T10-F12 PolarHBondContact O-N 2.72Å
11	P	39.7	Very low	37.5	Very low	94 Å²	94	134.6 Å²	134.6	61%	0.61	73%	0.73	S	S	*	*	S	Bend	trans	-71.7	15.7	-174.6	30	-35.2	0	0	0	113.8
12	F	43.2	Very low	37.5	Very low	100 Å²	100	125.2 Å²	125.2	44%	0.439	70%	0.695	S	S	.	*			trans	-119.1	106.9	173.5	-74.2	-78.8	0	0	0	110	T10 F14 F154	T10-F12 PolarHBondContact O-N 2.72Å; F12-F14 HydrophobicContact CB-CD2 4.12Å; F12-F14 HydrophobicContact CB-CE2 4.35Å; F12-F14 PolarHBondContact O-N 3.27Å; F12-F154 HydrophobicContact CE2-CZ 4.37Å
13	P	35.6	Very low	38.3	Very low	116 Å²	116	122.9 Å²	122.9	75%	0.753	69%	0.691	S	S	*	*			trans	-66.9	98.9	148.2	29.2	-24.5	0	0	0	105.2	E15	P13-E15 VanDerWaalsContact C-N 3.28Å; P13-E15 PolarHBondContact O-N 3.1Å
14	F	41.8	Very low	39.5	Very low	144 Å²	144	117.8 Å²	117.8	63%	0.632	67%	0.667	S	S	*	*			trans	-60.8	101	163.2	-98.7	-89.7	0	0	0	106.4	F12 N16 L99	F12-F14 HydrophobicContact CB-CD2 4.12Å; F12-F14 HydrophobicContact CB-CE2 4.35Å; F12-F14 PolarHBondContact O-N 3.27Å; F14-N16 PolarHBondContact O-N 2.98Å; F14-N16 VanDerWaalsContact O-N 3.09Å; F14-L99 HydrophobicContact CZ-CD2 4.06Å
15	E	32.7	Very low	41	Very low	151 Å²	151	116.9 Å²	116.9	71%	0.706	66%	0.661	S	S	*	*			trans	-60.6	113.1	162.2	-81.5	-168.4	169.3	0	0	106.4	P13 N17	P13-E15 VanDerWaalsContact C-N 3.28Å; P13-E15 PolarHBondContact O-N 3.1Å; E15-N17 PolarHBondContact O-N 3.19Å; E15-N17 PolarHBondContact OE2-ND2 2.72Å
16	N	34.1	Very low	43.6	Very low	159 Å²	159	116.2 Å²	116.2	85%	0.85	65%	0.646	S	S	*	*			trans	-69.7	69.4	174.8	-159.3	2	0	0	0	108.7	F14	F14-N16 PolarHBondContact O-N 2.98Å; F14-N16 VanDerWaalsContact O-N 3.09Å
17	N	30.7	Very low	46.3	Very low	108 Å²	108	111.3 Å²	111.3	58%	0.578	62%	0.616	S	S	*	*			trans	-103	106	175.9	-75.9	-28.2	0	0	0	107.9	E15	E15-N17 PolarHBondContact O-N 3.19Å; E15-N17 PolarHBondContact OE2-ND2 2.72Å
18	N	33.7	Very low	49.1	Very low	129 Å²	129	107.9 Å²	107.9	69%	0.69	60%	0.599	S	S	*	*	S	Bend	trans	87.3	89	158.6	-52.1	-35.6	0	0	0	117.9	H20	N18-H20 PolarHBondContact O-N 3.45Å
19	S	31.4	Very low	51.7	Low	100 Å²	100	106.1 Å²	106.1	70%	0.699	59%	0.59	S	S	*	*				46.6	70.6	119.4	67.1	0	0	0	0	118.3
20	H	41.1	Very low	54.6	Low	148 Å²	148	99.3 Å²	99.3	69%	0.685	57%	0.566	S	S	*	*			trans	-134.3	45.4	158.2	-76.2	-70	0	0	0	112.9	N18 G22	N18-H20 PolarHBondContact O-N 3.45Å; H20-G22 PolarHBondContact O-N 3.08Å; H20-G22 VanDerWaalsContact O-N 3.09Å
21	A	36.7	Very low	57.1	Low	108 Å²	108	101.6 Å²	101.6	89%	0.893	57%	0.567	S	S	*	*			trans	-79	53.3	151.5	0	0	0	0	0	109.8
22	G	41	Very low	59.8	Low	45 Å²	45	100.6 Å²	100.6	46%	0.464	56%	0.556	S	S	.	*			trans	-96.4	119.6	162.5	0	0	0	0	0	106.2	H20 V24	H20-G22 PolarHBondContact O-N 3.08Å; H20-G22 VanDerWaalsContact O-N 3.09Å; G22-V24 VanDerWaalsContact C-N 3.33Å; G22-V24 PolarHBondContact O-N 3.38Å
23	I	53.3	Low	62.3	Low	156 Å²	156	99.3 Å²	99.3	80%	0.8	55%	0.554	S	S	*	*			trans	-55	100.6	174	-57.7	170.7	0	0	0	107.1	T25	I23-T25 HydrophobicContact CB-CG2 4.45Å; I23-T25 HydrophobicContact CG2-CG2 3.66Å; I23-T25 PolarHBondContact O-N 2.88Å
24	V	58.3	Low	65	Low	51 Å²	51	95 Å²	95	31%	0.309	53%	0.53	S	S	.	.			trans	-71.4	101.3	175.1	-178	0	0	0	0	105.9	G22 Y52 I88	G22-V24 VanDerWaalsContact C-N 3.33Å; G22-V24 PolarHBondContact O-N 3.38Å; V24-Y52 WeakPolarHBondContact CG1-OH 3.47Å; V24-I88 HydrophobicContact CB-CD1 4.17Å; V24-I88 HydrophobicContact CG1-CD1 3.89Å
25	T	70.2	Confident	67.4	Low	103 Å²	103	94.9 Å²	94.9	63%	0.632	53%	0.532	S	S	*	.			trans	-90.4	-23.5	-175.5	44.2	0	0	0	0	112.7	I23 Y90	I23-T25 HydrophobicContact CB-CG2 4.45Å; I23-T25 HydrophobicContact CG2-CG2 3.66Å; I23-T25 PolarHBondContact O-N 2.88Å; T25-Y90 VanDerWaalsContact O-CD2 3.22Å; T25-Y90 WeakPolarHBondContact O-CD2 3.43Å
26	E	91.7	Very high	70.1	Confident	97 Å²	97	90.1 Å²	90.1	45%	0.453	52%	0.523	S	S	.	.	S	Bend	trans	-141.1	121.7	-174.2	175.9	167.2	166.9	0	0	110.8	I28 Y90	E26-I28 PolarHBondContact O-N 2.91Å; E26-Y90 HydrophobicContact CB-CD2 4.05Å; E26-Y90 HydrophobicContact CB-CE2 3.64Å; E26-Y90 HydrophobicContact CG-CD1 4.28Å; E26-Y90 HydrophobicContact CG-CD2 4.25Å; E26-Y90 HydrophobicContact CG-CE1 3.74Å; E26-Y90 HydrophobicContact CG-CE2 3.66Å; E26-Y90 PolarHBondContact OE1-OH 2.87Å; E26-Y90 PolarHBondContact OE2-OH 3.35Å
27	P	94.6	Very high	72.6	Confident	13 Å²	13	87.9 Å²	87.9	8%	0.084	52%	0.52	C	S	.	.			trans	-68.2	120.3	172.4	-20.1	33.3	0	0	0	111.8	L29 Y52 I88 Y95	P27-L29 HydrophobicContact CB-CD2 4Å; P27-Y52 HydrophobicContact CB-CD1 3.95Å; P27-Y52 HydrophobicContact CB-CD2 4.36Å; P27-Y52 HydrophobicContact CB-CE1 3.75Å; P27-Y52 HydrophobicContact CB-CE2 4.19Å; P27-Y52 HydrophobicContact CB-CG 4.26Å; P27-Y52 HydrophobicContact CG-CD1 4.4Å; P27-Y52 HydrophobicContact CG-CE1 4.13Å; P27-I88 HydrophobicContact CG-CG2 3.97Å; P27-Y95 HydrophobicContact CB-CD1 4.24Å; P27-Y95 HydrophobicContact CB-CE1 4.34Å; P27-Y95 HydrophobicContact CB-CG 4.45Å; P27-Y95 HydrophobicContact CG-CD1 4.09Å; P27-Y95 HydrophobicContact CG-CD2 3.79Å; P27-Y95 HydrophobicContact CG-CE1 4.36Å; P27-Y95 HydrophobicContact CG-CE2 4.08Å; P27-Y95 HydrophobicContact CG-CG 3.82Å
28	I	96.4	Very high	75.5	Confident	77 Å²	77	85.8 Å²	85.8	40%	0.395	51%	0.511	S	S	.	.			trans	-101	96.8	168.2	-51.1	-167.1	0	0	0	108.2	E26 V45 N46	E26-I28 PolarHBondContact O-N 2.91Å; I28-V45 HydrophobicContact CB-CB 4.34Å; I28-V45 HydrophobicContact CG2-CB 3.84Å; I28-V45 HydrophobicContact CG2-CG1 4.3Å; I28-V45 HydrophobicContact CG2-CG2 3.95Å; I28-V45 WeakPolarHBondContact O-CG2 3.39Å; I28-V45 PolarHBondContact O-N 3.31Å; I28-V45 VanDerWaalsContact O-N 3.16Å; I28-N46 WeakPolarHBondContact CD1-ND2 3.33Å
29	L	97.3	Very high	78.5	Confident	59 Å²	59	80 Å²	80	31%	0.309	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	128.9	-174	-53.5	-177.6	0	0	0	111.5	P27 F42 Y52 Y95	P27-L29 HydrophobicContact CB-CD2 4Å; L29-F42 HydrophobicContact CB-CB 4.17Å; L29-F42 HydrophobicContact CB-CD1 4.2Å; L29-F42 HydrophobicContact CB-CG 4.16Å; L29-F42 HydrophobicContact CD1-CD1 4.44Å; L29-F42 HydrophobicContact CD1-CD2 4.06Å; L29-F42 HydrophobicContact CD1-CE2 4.14Å; L29-F42 HydrophobicContact CD1-CG 4.21Å; L29-F42 HydrophobicContact CD1-CZ 4.39Å; L29-F42 HydrophobicContact CD2-CB 4.08Å; L29-F42 HydrophobicContact CD2-CD2 4.28Å; L29-F42 HydrophobicContact CD2-CG 4.26Å; L29-F42 HydrophobicContact CG-CG 4.44Å; L29-Y52 HydrophobicContact CD2-CD2 3.72Å; L29-Y52 HydrophobicContact CD2-CG 3.82Å; L29-Y95 HydrophobicContact CD1-CE1 4.22Å; L29-Y95 HydrophobicContact CD2-CD1 4.44Å; L29-Y95 HydrophobicContact CD2-CE1 4.18Å
30	G	97.6	Very high	81.7	Confident	29 Å²	29	78.2 Å²	78.2	30%	0.299	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-139.8	173.1	0	0	0	0	0	111.7	E43 V45	G30-E43 WeakPolarHBondContact CA-O 3.42Å; G30-E43 PolarHBondContact N-O 3Å; G30-V45 VanDerWaalsContact CA-CG2 3.45Å
31	K	97.6	Very high	84.4	Confident	146 Å²	146	73.1 Å²	73.1	64%	0.635	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	137.6	179.8	-174.7	-177	172	-171.1	0	110.8	I33 F42 E43	K31-I33 HydrophobicContact CD-CG2 4.47Å; K31-I33 HydrophobicContact CG-CG2 4.39Å; K31-I33 PolarHBondContact O-N 3.11Å; K31-F42 WeakPolarHBondContact O-CA 3.22Å; K31-E43 WeakPolarHBondContact CB-OE2 3.28Å; K31-E43 PolarHBondContact O-N 3.45Å
32	L	97.6	Very high	87.3	Confident	73 Å²	73	69.2 Å²	69.2	38%	0.382	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	122.2	165.3	-179.5	71.8	0	0	0	109.3	G34 E40 F42	L32-G34 VanDerWaalsContact CD1-O 3.31Å; L32-G34 WeakPolarHBondContact CD1-O 3.48Å; L32-E40 HydrophobicContact CD1-CB 3.85Å; L32-E40 HydrophobicContact CD1-CG 4.36Å; L32-F42 HydrophobicContact CB-CD1 4.03Å; L32-F42 HydrophobicContact CB-CE1 3.83Å; L32-F42 HydrophobicContact CD1-CD1 4.11Å; L32-F42 HydrophobicContact CD1-CE1 3.64Å; L32-F42 HydrophobicContact CD1-CE2 4.13Å; L32-F42 HydrophobicContact CD1-CZ 3.65Å; L32-F42 HydrophobicContact CG-CE1 4.31Å
33	I	95.1	Very high	90	Very high	74 Å²	74	69.9 Å²	69.9	38%	0.379	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-14.5	-178.4	62.5	166.4	0	0	0	113.6	K31 I41 E43 L51	K31-I33 HydrophobicContact CD-CG2 4.47Å; K31-I33 HydrophobicContact CG-CG2 4.39Å; K31-I33 PolarHBondContact O-N 3.11Å; I33-I41 HydrophobicContact CD1-CG2 3.95Å; I33-I41 HydrophobicContact CG1-CB 4.13Å; I33-I41 HydrophobicContact CG1-CG2 3.75Å; I33-I41 WeakPolarHBondContact CG1-O 3.44Å; I33-I41 PolarHBondContact N-O 3.05Å; I33-E43 HydrophobicContact CD1-CG 4.46Å; I33-E43 HydrophobicContact CG2-CG 3.84Å; I33-L51 HydrophobicContact CD1-CD1 3.93Å; I33-L51 HydrophobicContact CD1-CD2 3.52Å; I33-L51 HydrophobicContact CD1-CG 4.37Å
34	G	92.1	Very high	92.1	Very high	25 Å²	25	62.8 Å²	62.8	26%	0.258	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	146.3	176.6	0	0	0	0	0	111.2	L32 I41	L32-G34 VanDerWaalsContact CD1-O 3.31Å; L32-G34 WeakPolarHBondContact CD1-O 3.48Å; G34-I41 PolarHBondContact N-O 3.2Å; G34-I41 PolarHBondContact O-N 2.84Å
35	Q	92.3	Very high	93.9	Very high	142 Å²	142	64.6 Å²	64.6	66%	0.664	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.3	121.3	179	-176.8	172	52.5	0	0	109.1	E40	Q35-E40 HydrophobicContact CG-CG 4.22Å; Q35-E40 PolarHBondContact NE2-OE1 2.88Å
36	G	88.4	Confident	95.1	Very high	51 Å²	51	65.3 Å²	65.3	53%	0.526	37%	0.367	S	S	.	.			trans	-120.9	-174.1	176.5	0	0	0	0	0	111.7	T38 A39	G36-T38 VanDerWaalsContact C-N 3.32Å; G36-A39 PolarHBondContact N-O 3.09Å
37	S	88.1	Confident	95.3	Very high	111 Å²	111	62 Å²	62	78%	0.776	35%	0.352	S	S	*	.	S	Bend	trans	-76.8	-18.4	176.4	54.1	0	0	0	0	113.8
38	T	91.6	Very high	95.4	Very high	64 Å²	64	66.3 Å²	66.3	39%	0.393	38%	0.383	S	S	.	.	S	Bend	trans	-110.7	-21.6	-175.5	50.2	0	0	0	0	113.2	G36 D56	G36-T38 VanDerWaalsContact C-N 3.32Å; T38-D56 PolarHBondContact O-N 2.84Å
39	A	96.2	Very high	95.4	Very high	7 Å²	7	65.6 Å²	65.6	6%	0.058	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	162.4	-175.3	0	0	0	0	0	113.3	G36 K53 K54 Y55	G36-A39 PolarHBondContact N-O 3.09Å; A39-K53 HydrophobicContact CB-CD 4.11Å; A39-K53 VanDerWaalsContact CB-CE 3.44Å; A39-K53 HydrophobicContact CB-CG 3.54Å; A39-K54 CarbonylContact C-O 3.51Å; A39-K54 WeakPolarHBondContact CA-O 3.47Å; A39-K54 VanDerWaalsContact CB-O 3.26Å; A39-K54 WeakPolarHBondContact CB-O 3.44Å; A39-Y55 HydrophobicContact CB-CD1 4.43Å
40	E	97.7	Very high	95.4	Very high	63 Å²	63	62.9 Å²	62.9	29%	0.294	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.1	170.8	-65.1	-176.7	130.7	0	0	109.7	L32 Q35 F42 K53 K54	L32-E40 HydrophobicContact CD1-CB 3.85Å; L32-E40 HydrophobicContact CD1-CG 4.36Å; Q35-E40 HydrophobicContact CG-CG 4.22Å; Q35-E40 PolarHBondContact NE2-OE1 2.88Å; E40-F42 HydrophobicContact CB-CD2 4.27Å; E40-F42 HydrophobicContact CB-CE2 3.4Å; E40-F42 VanDerWaalsContact CB-CE2 3.4Å; E40-F42 HydrophobicContact CB-CZ 3.85Å; E40-K53 CarbonylContact O-C 3.55Å; E40-K53 WeakPolarHBondContact O-CA 3.1Å; E40-K54 PolarHBondContact N-O 3.46Å; E40-K54 PolarHBondContact O-N 2.82Å
41	I	98	Very high	95.4	Very high	41 Å²	41	62.4 Å²	62.4	21%	0.21	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.9	-178.6	-48.5	-59.6	0	0	0	109.7	I33 G34 L51 Y52 K53	I33-I41 HydrophobicContact CD1-CG2 3.95Å; I33-I41 HydrophobicContact CG1-CB 4.13Å; I33-I41 HydrophobicContact CG1-CG2 3.75Å; I33-I41 WeakPolarHBondContact CG1-O 3.44Å; I33-I41 PolarHBondContact N-O 3.05Å; G34-I41 PolarHBondContact N-O 3.2Å; G34-I41 PolarHBondContact O-N 2.84Å; I41-L51 HydrophobicContact CG2-CB 4.31Å; I41-L51 HydrophobicContact CG2-CD1 4.07Å; I41-Y52 CarbonylContact C-O 3.55Å; I41-Y52 WeakPolarHBondContact CA-O 3.5Å; I41-K53 HydrophobicContact CD1-CB 3.6Å; I41-K53 HydrophobicContact CD1-CD 4.01Å; I41-K53 HydrophobicContact CD1-CG 3.53Å
42	F	98.4	Very high	95.4	Very high	27 Å²	27	55.5 Å²	55.5	12%	0.118	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	150.5	-179.7	-59.5	-92.5	0	0	0	111.2	L29 K31 L32 E40 L51 Y52 K54	L29-F42 HydrophobicContact CB-CB 4.17Å; L29-F42 HydrophobicContact CB-CD1 4.2Å; L29-F42 HydrophobicContact CB-CG 4.16Å; L29-F42 HydrophobicContact CD1-CD1 4.44Å; L29-F42 HydrophobicContact CD1-CD2 4.06Å; L29-F42 HydrophobicContact CD1-CE2 4.14Å; L29-F42 HydrophobicContact CD1-CG 4.21Å; L29-F42 HydrophobicContact CD1-CZ 4.39Å; L29-F42 HydrophobicContact CD2-CB 4.08Å; L29-F42 HydrophobicContact CD2-CD2 4.28Å; L29-F42 HydrophobicContact CD2-CG 4.26Å; L29-F42 HydrophobicContact CG-CG 4.44Å; K31-F42 WeakPolarHBondContact O-CA 3.22Å; L32-F42 HydrophobicContact CB-CD1 4.03Å; L32-F42 HydrophobicContact CB-CE1 3.83Å; L32-F42 HydrophobicContact CD1-CD1 4.11Å; L32-F42 HydrophobicContact CD1-CE1 3.64Å; L32-F42 HydrophobicContact CD1-CE2 4.13Å; L32-F42 HydrophobicContact CD1-CZ 3.65Å; L32-F42 HydrophobicContact CG-CE1 4.31Å; E40-F42 HydrophobicContact CB-CD2 4.27Å; E40-F42 HydrophobicContact CB-CE2 3.4Å; E40-F42 VanDerWaalsContact CB-CE2 3.4Å; E40-F42 HydrophobicContact CB-CZ 3.85Å; F42-L51 CarbonylContact O-C 3.54Å; F42-L51 WeakPolarHBondContact O-CA 3.43Å; F42-Y52 PolarHBondContact N-O 3.13Å; F42-Y52 PolarHBondContact O-N 2.78Å; F42-K54 HydrophobicContact CD2-CB 4.34Å; F42-K54 HydrophobicContact CE2-CB 4.01Å; F42-K54 HydrophobicContact CE2-CD 4.45Å
43	E	97.9	Very high	95.5	Very high	59 Å²	59	52.3 Å²	52.3	28%	0.276	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	147.8	165.5	-60.9	-174.2	132.9	0	0	110.9	G30 K31 I33 L51 R100	G30-E43 WeakPolarHBondContact CA-O 3.42Å; G30-E43 PolarHBondContact N-O 3Å; K31-E43 WeakPolarHBondContact CB-OE2 3.28Å; K31-E43 PolarHBondContact O-N 3.45Å; I33-E43 HydrophobicContact CD1-CG 4.46Å; I33-E43 HydrophobicContact CG2-CG 3.84Å; E43-L51 HydrophobicContact CG-CD2 4.25Å; E43-R100 IonicContact OE1-CZ 3.21Å; E43-R100 IonicContact OE1-NH1 3.95Å; E43-R100 PolarHBondContact OE1-NH1 3.16Å; E43-R100 IonicContact OE1-NH2 2.8Å; E43-R100 PolarHBondContact OE1-NH2 3.4Å
44	D	97.4	Very high	95.6	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.037	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	117.3	166.5	-175.7	-15	0	0	0	109.1	N46 D47 A50 Y52 R97	D44-N46 PolarHBondContact O-N 3Å; D44-N46 PolarHBondContact OD1-N 2.88Å; D44-D47 HydrophobicContact CB-CB 4.37Å; D44-D47 CarbonylContact O-C 3.48Å; D44-D47 PolarHBondContact O-N 2.97Å; D44-A50 HydrophobicContact CB-CB 4.01Å; D44-A50 PolarHBondContact N-O 3.4Å; D44-Y52 HydrophobicContact CB-CD2 3.94Å; D44-Y52 HydrophobicContact CB-CE2 3.5Å; D44-Y52 WeakPolarHBondContact OD2-CE2 3.47Å; D44-Y52 PolarHBondContact OD2-OH 2.79Å; D44-R97 IonicContact OD2-CZ 2.74Å; D44-R97 VanDerWaalsContact OD2-CZ 3.32Å; D44-R97 IonicContact OD2-NE 2.78Å; D44-R97 PolarHBondContact OD2-NE 2.95Å; D44-R97 IonicContact OD2-NH2 3.62Å; D44-R97 PolarHBondContact OD2-NH2 3.2Å
45	V	96.5	Very high	95.9	Very high	88 Å²	88	50.1 Å²	50.1	53%	0.533	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.9	-178.7	173.4	0	0	0	0	112	I28 G30	I28-V45 HydrophobicContact CB-CB 4.34Å; I28-V45 HydrophobicContact CG2-CB 3.84Å; I28-V45 HydrophobicContact CG2-CG1 4.3Å; I28-V45 HydrophobicContact CG2-CG2 3.95Å; I28-V45 WeakPolarHBondContact O-CG2 3.39Å; I28-V45 PolarHBondContact O-N 3.31Å; I28-V45 VanDerWaalsContact O-N 3.16Å; G30-V45 VanDerWaalsContact CA-CG2 3.45Å
46	N	95.4	Very high	96.1	Very high	119 Å²	119	46.1 Å²	46.1	64%	0.636	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-10.9	-175.3	-66.1	-38	0	0	0	113.4	I28 D44	I28-N46 WeakPolarHBondContact CD1-ND2 3.33Å; D44-N46 PolarHBondContact O-N 3Å; D44-N46 PolarHBondContact OD1-N 2.88Å
47	D	95.6	Very high	96.4	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.139	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	101.1	-174.9	-176.7	-4	0	0	0	110.9	D44 S49 A50 R97	D44-D47 HydrophobicContact CB-CB 4.37Å; D44-D47 CarbonylContact O-C 3.48Å; D44-D47 PolarHBondContact O-N 2.97Å; D47-S49 PolarHBondContact O-N 3.45Å; D47-S49 VanDerWaalsContact O-N 3.07Å; D47-S49 WeakPolarHBondContact OD1-CA 3.31Å; D47-S49 WeakPolarHBondContact OD1-CB 3.26Å; D47-S49 PolarHBondContact OD1-N 2.89Å; D47-S49 PolarHBondContact OD1-OG 2.97Å; D47-A50 HydrophobicContact CB-CB 4.1Å; D47-A50 PolarHBondContact O-N 3.35Å; D47-R97 IonicContact OD2-CZ 3.57Å; D47-R97 IonicContact OD2-NH1 2.76Å; D47-R97 IonicContact OD2-NH2 3.34Å; D47-R97 PolarHBondContact OD2-NH2 2.94Å
48	S	95.6	Very high	96.6	Very high	105 Å²	105	47.1 Å²	47.1	73%	0.734	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	-16.4	179.6	55.9	0	0	0	0	114.1	A50	S48-A50 VanDerWaalsContact C-N 3.34Å
49	S	96.6	Very high	96.6	Very high	62 Å²	62	48.1 Å²	48.1	43%	0.434	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	0.4	176.6	76.6	0	0	0	0	113.3	D47 R100	D47-S49 PolarHBondContact O-N 3.45Å; D47-S49 VanDerWaalsContact O-N 3.07Å; D47-S49 WeakPolarHBondContact OD1-CA 3.31Å; D47-S49 WeakPolarHBondContact OD1-CB 3.26Å; D47-S49 PolarHBondContact OD1-N 2.89Å; D47-S49 PolarHBondContact OD1-OG 2.97Å; S49-R100 VanDerWaalsContact O-CB 3.25Å; S49-R100 WeakPolarHBondContact O-CB 3.17Å; S49-R100 PolarHBondContact O-N 3.36Å
50	A	97.2	Very high	96.5	Very high	2 Å²	2	51.6 Å²	51.6	2%	0.017	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	154.8	-179.5	0	0	0	0	0	112.9	D44 D47 S48 M98	D44-A50 HydrophobicContact CB-CB 4.01Å; D44-A50 PolarHBondContact N-O 3.4Å; D47-A50 HydrophobicContact CB-CB 4.1Å; D47-A50 PolarHBondContact O-N 3.35Å; S48-A50 VanDerWaalsContact C-N 3.34Å; A50-M98 CarbonylContact C-O 3.56Å; A50-M98 WeakPolarHBondContact CA-O 3.47Å
51	L	98.1	Very high	96.4	Very high	18 Å²	18	54.4 Å²	54.4	9%	0.094	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.3	172.5	-60.4	176.7	0	0	0	109.6	I33 I41 F42 E43 R97 M98 R100	I33-L51 HydrophobicContact CD1-CD1 3.93Å; I33-L51 HydrophobicContact CD1-CD2 3.52Å; I33-L51 HydrophobicContact CD1-CG 4.37Å; I41-L51 HydrophobicContact CG2-CB 4.31Å; I41-L51 HydrophobicContact CG2-CD1 4.07Å; F42-L51 CarbonylContact O-C 3.54Å; F42-L51 WeakPolarHBondContact O-CA 3.43Å; E43-L51 HydrophobicContact CG-CD2 4.25Å; L51-R97 WeakPolarHBondContact O-CA 3.13Å; L51-M98 HydrophobicContact CB-CG 4.28Å; L51-M98 PolarHBondContact N-O 2.64Å; L51-M98 PolarHBondContact O-N 2.96Å; L51-R100 HydrophobicContact CD1-CB 4.41Å; L51-R100 HydrophobicContact CD1-CG 4.12Å; L51-R100 HydrophobicContact CD2-CG 4.37Å; L51-R100 HydrophobicContact CG-CB 4.09Å; L51-R100 HydrophobicContact CG-CG 4.11Å
52	Y	98.3	Very high	96.3	Very high	1 Å²	1	56.1 Å²	56.1	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.6	166.3	-69.5	-72.6	0	0	0	109.9	V24 P27 L29 I41 F42 D44 I88 R97	V24-Y52 WeakPolarHBondContact CG1-OH 3.47Å; P27-Y52 HydrophobicContact CB-CD1 3.95Å; P27-Y52 HydrophobicContact CB-CD2 4.36Å; P27-Y52 HydrophobicContact CB-CE1 3.75Å; P27-Y52 HydrophobicContact CB-CE2 4.19Å; P27-Y52 HydrophobicContact CB-CG 4.26Å; P27-Y52 HydrophobicContact CG-CD1 4.4Å; P27-Y52 HydrophobicContact CG-CE1 4.13Å; L29-Y52 HydrophobicContact CD2-CD2 3.72Å; L29-Y52 HydrophobicContact CD2-CG 3.82Å; I41-Y52 CarbonylContact C-O 3.55Å; I41-Y52 WeakPolarHBondContact CA-O 3.5Å; F42-Y52 PolarHBondContact N-O 3.13Å; F42-Y52 PolarHBondContact O-N 2.78Å; D44-Y52 HydrophobicContact CB-CD2 3.94Å; D44-Y52 HydrophobicContact CB-CE2 3.5Å; D44-Y52 WeakPolarHBondContact OD2-CE2 3.47Å; D44-Y52 PolarHBondContact OD2-OH 2.79Å; Y52-I88 HydrophobicContact CE1-CD1 3.96Å; Y52-R97 HydrophobicContact CD1-CB 3.85Å; Y52-R97 HydrophobicContact CD1-CG 4.04Å; Y52-R97 HydrophobicContact CE1-CB 3.62Å; Y52-R97 HydrophobicContact CE1-CG 3.57Å; Y52-R97 PolarHBondContact OH-NE 2.79Å
53	K	98.4	Very high	96.2	Very high	7 Å²	7	60.5 Å²	60.5	3%	0.03	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.7	162.1	179.4	175.5	-163.3	-175.6	0	108.5	A39 E40 I41 Y55 E72 Y95 L96 D157	A39-K53 HydrophobicContact CB-CD 4.11Å; A39-K53 VanDerWaalsContact CB-CE 3.44Å; A39-K53 HydrophobicContact CB-CG 3.54Å; E40-K53 CarbonylContact O-C 3.55Å; E40-K53 WeakPolarHBondContact O-CA 3.1Å; I41-K53 HydrophobicContact CD1-CB 3.6Å; I41-K53 HydrophobicContact CD1-CD 4.01Å; I41-K53 HydrophobicContact CD1-CG 3.53Å; K53-Y55 HydrophobicContact CD-CE1 4.21Å; K53-Y55 HydrophobicContact CG-CE2 4.45Å; K53-E72 IonicContact NZ-OE1 3.32Å; K53-E72 PolarHBondContact NZ-OE1 3.32Å; K53-E72 IonicContact NZ-OE2 2.86Å; K53-E72 PolarHBondContact NZ-OE2 3.32Å; K53-Y95 CarbonylContact O-C 3.55Å; K53-Y95 VanDerWaalsContact O-CA 3.23Å; K53-Y95 WeakPolarHBondContact O-CA 3.36Å; K53-L96 HydrophobicContact CB-CB 4.2Å; K53-L96 PolarHBondContact N-O 3.04Å; K53-L96 PolarHBondContact O-N 3.11Å; K53-D157 IonicContact NZ-OD1 3.6Å; K53-D157 PolarHBondContact NZ-OD1 2.76Å
54	K	98.3	Very high	96.1	Very high	49 Å²	49	62.6 Å²	62.6	21%	0.213	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117.1	175.3	-177.3	179.8	-177	165.5	0	109	A39 E40 F42 D93 Y95	A39-K54 CarbonylContact C-O 3.51Å; A39-K54 WeakPolarHBondContact CA-O 3.47Å; A39-K54 VanDerWaalsContact CB-O 3.26Å; A39-K54 WeakPolarHBondContact CB-O 3.44Å; E40-K54 PolarHBondContact N-O 3.46Å; E40-K54 PolarHBondContact O-N 2.82Å; F42-K54 HydrophobicContact CD2-CB 4.34Å; F42-K54 HydrophobicContact CE2-CB 4.01Å; F42-K54 HydrophobicContact CE2-CD 4.45Å; K54-D93 WeakPolarHBondContact CE-OD2 3.45Å; K54-D93 IonicContact NZ-OD2 2.72Å; K54-D93 PolarHBondContact NZ-OD2 2.83Å; K54-Y95 HydrophobicContact CB-CD1 3.85Å; K54-Y95 HydrophobicContact CB-CE1 3.76Å; K54-Y95 HydrophobicContact CD-CE1 3.72Å; K54-Y95 WeakPolarHBondContact CE-OH 3.47Å; K54-Y95 HydrophobicContact CG-CD1 4.01Å; K54-Y95 HydrophobicContact CG-CE1 3.55Å; K54-Y95 PolarHBondContact NZ-OH 2.81Å
55	Y	98.1	Very high	96	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.016	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	145.3	-178.5	-64.2	-92	0	0	0	111.9	A39 K53 I65 M68 A69 E72 V94 L96	A39-Y55 HydrophobicContact CB-CD1 4.43Å; K53-Y55 HydrophobicContact CD-CE1 4.21Å; K53-Y55 HydrophobicContact CG-CE2 4.45Å; Y55-I65 VanDerWaalsContact CB-CG2 3.43Å; Y55-I65 HydrophobicContact CD1-CG2 4.34Å; Y55-I65 HydrophobicContact CG-CG2 3.91Å; Y55-M68 HydrophobicContact CD1-CE 3.86Å; Y55-M68 HydrophobicContact CE1-CE 4.19Å; Y55-A69 HydrophobicContact CD2-CB 4.01Å; Y55-A69 HydrophobicContact CE1-CB 4.31Å; Y55-A69 HydrophobicContact CE2-CB 3.38Å; Y55-A69 WeakPolarHBondContact OH-CA 3.34Å; Y55-E72 PolarHBondContact OH-OE2 2.78Å; Y55-V94 HydrophobicContact CD2-CB 4.24Å; Y55-V94 HydrophobicContact CD2-CG1 3.89Å; Y55-V94 WeakPolarHBondContact CD2-O 3.26Å; Y55-V94 HydrophobicContact CE2-CG1 4.34Å; Y55-V94 PolarHBondContact N-O 2.88Å; Y55-V94 VanDerWaalsContact N-O 3.09Å; Y55-L96 HydrophobicContact CE2-CB 3.85Å
56	D	96.2	Very high	96.1	Very high	57 Å²	57	59.1 Å²	59.1	31%	0.305	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-78.9	123.4	174.2	-178	26.2	0	0	0	111.5	T38 I58 N60	T38-D56 PolarHBondContact O-N 2.84Å; D56-I58 WeakPolarHBondContact OD1-CB 3.36Å; D56-I58 WeakPolarHBondContact OD1-CG1 3.43Å; D56-I58 PolarHBondContact OD1-N 2.83Å; D56-N60 PolarHBondContact O-ND2 2.86Å; D56-N60 VanDerWaalsContact O-ND2 3.08Å
57	L	94.8	Very high	96.2	Very high	41 Å²	41	58.6 Å²	58.6	22%	0.215	33%	0.326	C	S	.	.			trans	-96.3	-8.1	178.2	-60.2	-175.2	0	0	0	113	G59 N60 Y62 I65 G92	L57-G59 PolarHBondContact O-N 2.82Å; L57-G59 VanDerWaalsContact O-N 3.08Å; L57-N60 PolarHBondContact O-N 2.87Å; L57-Y62 HydrophobicContact CD1-CD2 4Å; L57-Y62 HydrophobicContact CD1-CE2 4.38Å; L57-Y62 HydrophobicContact CD2-CD2 4.31Å; L57-I65 HydrophobicContact CD2-CB 3.94Å; L57-I65 HydrophobicContact CD2-CG1 3.98Å; L57-I65 HydrophobicContact CD2-CG2 3.77Å; L57-G92 VanDerWaalsContact CD1-O 3.28Å; L57-G92 WeakPolarHBondContact CD1-O 3.43Å
58	I	92.9	Very high	96.2	Very high	143 Å²	143	60.6 Å²	60.6	73%	0.733	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	113.4	-175.6	-62.3	173.2	0	0	0	110.1	D56 N60	D56-I58 WeakPolarHBondContact OD1-CB 3.36Å; D56-I58 WeakPolarHBondContact OD1-CG1 3.43Å; D56-I58 PolarHBondContact OD1-N 2.83Å; I58-N60 VanDerWaalsContact C-N 3.26Å; I58-N60 PolarHBondContact O-N 3.34Å
59	G	92	Very high	96.3	Very high	85 Å²	85	55.6 Å²	55.6	88%	0.876	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	1.6	177.7	0	0	0	0	0	115.2	L57	L57-G59 PolarHBondContact O-N 2.82Å; L57-G59 VanDerWaalsContact O-N 3.08Å
60	N	93.2	Very high	96.4	Very high	79 Å²	79	59 Å²	59	42%	0.422	30%	0.304	S	S	.	.	S	Bend	trans	-107.2	154.5	179	-59.2	-47.2	0	0	0	111.2	D56 L57 I58 I65	D56-N60 PolarHBondContact O-ND2 2.86Å; D56-N60 VanDerWaalsContact O-ND2 3.08Å; L57-N60 PolarHBondContact O-N 2.87Å; I58-N60 VanDerWaalsContact C-N 3.26Å; I58-N60 PolarHBondContact O-N 3.34Å; N60-I65 HydrophobicContact CB-CD1 3.68Å; N60-I65 HydrophobicContact CB-CG1 3.66Å
61	Q	95.1	Very high	96.4	Very high	123 Å²	123	63.8 Å²	63.8	58%	0.575	33%	0.326	S	S	*	.			trans	-78.8	130.5	172.3	-58.2	-172.6	23.8	0	0	110	N63 E64 I65	Q61-N63 VanDerWaalsContact C-N 3.27Å; Q61-N63 PolarHBondContact O-N 3.28Å; Q61-E64 HydrophobicContact CB-CB 4.23Å; Q61-E64 HydrophobicContact CB-CG 3.91Å; Q61-E64 PolarHBondContact NE2-OE1 3.24Å; Q61-E64 PolarHBondContact O-N 2.83Å; Q61-I65 PolarHBondContact O-N 2.91Å; Q61-I65 VanDerWaalsContact O-N 3.11Å
62	Y	96.3	Very high	96.4	Very high	76 Å²	76	63.4 Å²	63.4	30%	0.298	32%	0.324	S	S	.	.	H	α-helix	trans	-51.8	-44.5	-179	-179.2	-88.9	0	0	0	112.9	L57 E64 I65 L66 Q89 G92 V94	L57-Y62 HydrophobicContact CD1-CD2 4Å; L57-Y62 HydrophobicContact CD1-CE2 4.38Å; L57-Y62 HydrophobicContact CD2-CD2 4.31Å; Y62-E64 PolarHBondContact O-N 3Å; Y62-I65 PolarHBondContact O-N 3.07Å; Y62-L66 HydrophobicContact CE1-CD2 4.06Å; Y62-L66 WeakPolarHBondContact O-CB 3.41Å; Y62-L66 PolarHBondContact O-N 2.84Å; Y62-Q89 WeakPolarHBondContact OH-CG 3.33Å; Y62-Q89 PolarHBondContact OH-OE1 2.91Å; Y62-G92 WeakPolarHBondContact CE2-O 3.46Å; Y62-V94 HydrophobicContact CD2-CG2 4.23Å; Y62-V94 HydrophobicContact CE2-CG2 3.6Å
63	N	96	Very high	96.4	Very high	119 Å²	119	64 Å²	64	64%	0.636	33%	0.327	S	S	*	.	H	α-helix	trans	-66.8	-35	-178.8	-67.6	-5.3	0	0	0	112.8	Q61 L66 E67	Q61-N63 VanDerWaalsContact C-N 3.27Å; Q61-N63 PolarHBondContact O-N 3.28Å; N63-L66 PolarHBondContact O-N 3.06Å; N63-E67 WeakPolarHBondContact O-CB 3.45Å; N63-E67 PolarHBondContact O-N 3.4Å
64	E	95.7	Very high	96.4	Very high	104 Å²	104	70.6 Å²	70.6	49%	0.486	36%	0.358	S	S	.	.	H	α-helix	trans	-68.4	-39.6	176.7	-67	173.4	175	0	0	110.6	Q61 Y62 M68	Q61-E64 HydrophobicContact CB-CB 4.23Å; Q61-E64 HydrophobicContact CB-CG 3.91Å; Q61-E64 PolarHBondContact NE2-OE1 3.24Å; Q61-E64 PolarHBondContact O-N 2.83Å; Y62-E64 PolarHBondContact O-N 3Å; E64-M68 WeakPolarHBondContact O-CB 3.39Å; E64-M68 PolarHBondContact O-N 2.74Å
65	I	96.8	Very high	96.4	Very high	11 Å²	11	69.4 Å²	69.4	6%	0.056	35%	0.354	C	S	.	.	H	α-helix	trans	-66.8	-41.5	175	-61.9	-59.2	0	0	0	111.4	Y55 L57 N60 Q61 Y62 M68 A69 V94	Y55-I65 VanDerWaalsContact CB-CG2 3.43Å; Y55-I65 HydrophobicContact CD1-CG2 4.34Å; Y55-I65 HydrophobicContact CG-CG2 3.91Å; L57-I65 HydrophobicContact CD2-CB 3.94Å; L57-I65 HydrophobicContact CD2-CG1 3.98Å; L57-I65 HydrophobicContact CD2-CG2 3.77Å; N60-I65 HydrophobicContact CB-CD1 3.68Å; N60-I65 HydrophobicContact CB-CG1 3.66Å; Q61-I65 PolarHBondContact O-N 2.91Å; Q61-I65 VanDerWaalsContact O-N 3.11Å; Y62-I65 PolarHBondContact O-N 3.07Å; I65-M68 HydrophobicContact CD1-CE 3.51Å; I65-M68 HydrophobicContact CG2-CE 4.4Å; I65-M68 PolarHBondContact O-N 2.78Å; I65-A69 WeakPolarHBondContact O-CB 3.32Å; I65-A69 PolarHBondContact O-N 3.09Å; I65-V94 HydrophobicContact CG2-CB 4.27Å; I65-V94 HydrophobicContact CG2-CG2 4.37Å
66	L	97.6	Very high	96.4	Very high	11 Å²	11	69.2 Å²	69.2	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-42.8	177.4	-177.3	60.8	0	0	0	111.9	Y62 N63 A69 W70 V87 Q89 V94	Y62-L66 HydrophobicContact CE1-CD2 4.06Å; Y62-L66 WeakPolarHBondContact O-CB 3.41Å; Y62-L66 PolarHBondContact O-N 2.84Å; N63-L66 PolarHBondContact O-N 3.06Å; L66-A69 PolarHBondContact O-N 2.95Å; L66-W70 HydrophobicContact CD1-CD2 4.32Å; L66-W70 HydrophobicContact CD1-CH2 4.13Å; L66-W70 HydrophobicContact CD1-CZ2 3.78Å; L66-W70 HydrophobicContact CD2-CH2 3.33Å; L66-W70 HydrophobicContact CD2-CZ2 3.76Å; L66-W70 HydrophobicContact CD2-CZ3 3.81Å; L66-W70 HydrophobicContact CG-CD2 4.15Å; L66-W70 HydrophobicContact CG-CE3 3.95Å; L66-W70 HydrophobicContact CG-CH2 3.5Å; L66-W70 HydrophobicContact CG-CZ2 3.7Å; L66-W70 HydrophobicContact CG-CZ3 3.63Å; L66-W70 PolarHBondContact O-N 3.23Å; L66-V87 HydrophobicContact CD1-CG1 3.83Å; L66-Q89 HydrophobicContact CD1-CG 3.76Å; L66-V94 HydrophobicContact CB-CG2 4.36Å; L66-V94 HydrophobicContact CD1-CG1 4Å; L66-V94 HydrophobicContact CD1-CG2 4.27Å
67	E	97	Very high	96.5	Very high	108 Å²	108	67.6 Å²	67.6	51%	0.505	35%	0.345	S	S	.	.	H	α-helix	trans	-62.6	-45	174.5	-174.2	176.9	177.9	0	0	111.7	N63 A69 W70 Q71	N63-E67 WeakPolarHBondContact O-CB 3.45Å; N63-E67 PolarHBondContact O-N 3.4Å; E67-A69 VanDerWaalsContact C-N 3.31Å; E67-A69 PolarHBondContact O-N 3.41Å; E67-W70 PolarHBondContact O-N 2.67Å; E67-Q71 WeakPolarHBondContact O-CG 3.23Å; E67-Q71 PolarHBondContact O-N 2.7Å; E67-Q71 PolarHBondContact OE1-NE2 2.98Å
68	M	96	Very high	96.7	Very high	68 Å²	68	68 Å²	68	34%	0.335	35%	0.354	S	S	.	.	H	α-helix	trans	-59.2	-41.3	175.1	-178.9	177.2	60.5	0	0	111.9	Y55 E64 I65 Q71 E72	Y55-M68 HydrophobicContact CD1-CE 3.86Å; Y55-M68 HydrophobicContact CE1-CE 4.19Å; E64-M68 WeakPolarHBondContact O-CB 3.39Å; E64-M68 PolarHBondContact O-N 2.74Å; I65-M68 HydrophobicContact CD1-CE 3.51Å; I65-M68 HydrophobicContact CG2-CE 4.4Å; I65-M68 PolarHBondContact O-N 2.78Å; M68-Q71 PolarHBondContact O-N 3Å; M68-E72 WeakPolarHBondContact O-CB 3.46Å; M68-E72 PolarHBondContact O-N 3.49Å
69	A	97.9	Very high	96.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65	-39.4	177.4	0	0	0	0	0	112.6	Y55 I65 L66 E67 S73 V87 V94	Y55-A69 HydrophobicContact CD2-CB 4.01Å; Y55-A69 HydrophobicContact CE1-CB 4.31Å; Y55-A69 HydrophobicContact CE2-CB 3.38Å; Y55-A69 WeakPolarHBondContact OH-CA 3.34Å; I65-A69 WeakPolarHBondContact O-CB 3.32Å; I65-A69 PolarHBondContact O-N 3.09Å; L66-A69 PolarHBondContact O-N 2.95Å; E67-A69 VanDerWaalsContact C-N 3.31Å; E67-A69 PolarHBondContact O-N 3.41Å; A69-S73 WeakPolarHBondContact O-CB 3.33Å; A69-S73 PolarHBondContact O-N 3.49Å; A69-V87 HydrophobicContact CB-CG1 4.2Å; A69-V87 HydrophobicContact CB-CG2 4.01Å; A69-V87 WeakPolarHBondContact O-CG2 3.4Å; A69-V94 HydrophobicContact CB-CG1 3.68Å
70	W	98.1	Very high	97.2	Very high	134 Å²	134	60.7 Å²	60.7	51%	0.508	29%	0.292	S	S	.	.	H	α-helix	trans	-65.8	-43.6	174.6	-74.8	-42	0	0	0	112	L66 E67 E72 S73 E74 V87	L66-W70 HydrophobicContact CD1-CD2 4.32Å; L66-W70 HydrophobicContact CD1-CH2 4.13Å; L66-W70 HydrophobicContact CD1-CZ2 3.78Å; L66-W70 HydrophobicContact CD2-CH2 3.33Å; L66-W70 HydrophobicContact CD2-CZ2 3.76Å; L66-W70 HydrophobicContact CD2-CZ3 3.81Å; L66-W70 HydrophobicContact CG-CD2 4.15Å; L66-W70 HydrophobicContact CG-CE3 3.95Å; L66-W70 HydrophobicContact CG-CH2 3.5Å; L66-W70 HydrophobicContact CG-CZ2 3.7Å; L66-W70 HydrophobicContact CG-CZ3 3.63Å; L66-W70 PolarHBondContact O-N 3.23Å; E67-W70 PolarHBondContact O-N 2.67Å; W70-E72 VanDerWaalsContact C-N 3.35Å; W70-E72 PolarHBondContact O-N 2.91Å; W70-S73 WeakPolarHBondContact O-CB 3.37Å; W70-S73 PolarHBondContact O-N 2.78Å; W70-E74 PolarHBondContact O-N 2.65Å; W70-V87 VanDerWaalsContact CD1-CG2 3.43Å; W70-V87 HydrophobicContact CG-CG2 4.24Å
71	Q	97.7	Very high	97.4	Very high	101 Å²	101	58.5 Å²	58.5	47%	0.472	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-42.8	176	-70.8	174.5	3.5	0	0	111.5	E67 M68 E74 L75	E67-Q71 WeakPolarHBondContact O-CG 3.23Å; E67-Q71 PolarHBondContact O-N 2.7Å; E67-Q71 PolarHBondContact OE1-NE2 2.98Å; M68-Q71 PolarHBondContact O-N 3Å; Q71-E74 PolarHBondContact O-N 3.27Å; Q71-L75 VanDerWaalsContact O-CG 3.26Å; Q71-L75 WeakPolarHBondContact O-CG 3.49Å; Q71-L75 PolarHBondContact O-N 3.49Å; Q71-L75 VanDerWaalsContact O-N 3.11Å
72	E	98.3	Very high	97.4	Very high	11 Å²	11	59.6 Å²	59.6	5%	0.051	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-42.7	175.6	-174.7	172.7	167.1	0	0	111.7	K53 Y55 M68 W70 E74 L75 F76 L96 F158	K53-E72 IonicContact NZ-OE1 3.32Å; K53-E72 PolarHBondContact NZ-OE1 3.32Å; K53-E72 IonicContact NZ-OE2 2.86Å; K53-E72 PolarHBondContact NZ-OE2 3.32Å; Y55-E72 PolarHBondContact OH-OE2 2.78Å; M68-E72 WeakPolarHBondContact O-CB 3.46Å; M68-E72 PolarHBondContact O-N 3.49Å; W70-E72 VanDerWaalsContact C-N 3.35Å; W70-E72 PolarHBondContact O-N 2.91Å; E72-E74 PolarHBondContact O-N 3.38Å; E72-L75 PolarHBondContact O-N 2.96Å; E72-F76 WeakPolarHBondContact O-CB 3.45Å; E72-F76 PolarHBondContact O-N 3.45Å; E72-L96 HydrophobicContact CB-CD2 4.5Å; E72-L96 HydrophobicContact CG-CD2 3.97Å; E72-F158 HydrophobicContact CG-CB 4.33Å
73	S	98.3	Very high	97.4	Very high	12 Å²	12	64.9 Å²	64.9	8%	0.084	33%	0.325	C	S	.	.	H	α-helix	trans	-61.2	-42.9	176.4	-169.4	0	0	0	0	112.5	A69 W70 L75 F76 N77 S85	A69-S73 WeakPolarHBondContact O-CB 3.33Å; A69-S73 PolarHBondContact O-N 3.49Å; W70-S73 WeakPolarHBondContact O-CB 3.37Å; W70-S73 PolarHBondContact O-N 2.78Å; S73-L75 PolarHBondContact O-N 3.04Å; S73-F76 PolarHBondContact O-N 2.61Å; S73-N77 VanDerWaalsContact O-CB 3.32Å; S73-N77 WeakPolarHBondContact O-CB 3.42Å; S73-N77 PolarHBondContact O-N 2.74Å; S73-N77 PolarHBondContact O-OD1 2.83Å; S73-S85 WeakPolarHBondContact CA-OG 3.47Å; S73-S85 PolarHBondContact O-OG 3.36Å; S73-S85 PolarHBondContact OG-O 2.87Å; S73-S85 PolarHBondContact OG-OG 2.85Å
74	E	98.3	Very high	97.5	Very high	146 Å²	146	60 Å²	60	68%	0.682	30%	0.301	S	S	*	.	H	α-helix	trans	-60.8	-45.4	176.7	-173.6	-178.2	154	0	0	111.5	W70 Q71 E72 N77 A78	W70-E74 PolarHBondContact O-N 2.65Å; Q71-E74 PolarHBondContact O-N 3.27Å; E72-E74 PolarHBondContact O-N 3.38Å; E74-N77 PolarHBondContact O-N 2.78Å; E74-A78 WeakPolarHBondContact O-CB 3.36Å; E74-A78 PolarHBondContact O-N 3.22Å
75	L	98.5	Very high	97.6	Very high	24 Å²	24	55.4 Å²	55.4	13%	0.126	28%	0.281	C	S	.	.	H	α-helix	trans	-66.3	-40.8	178	-64.8	168	0	0	0	112.2	Q71 E72 S73 A78 F79 I134 F158 N160	Q71-L75 VanDerWaalsContact O-CG 3.26Å; Q71-L75 WeakPolarHBondContact O-CG 3.49Å; Q71-L75 PolarHBondContact O-N 3.49Å; Q71-L75 VanDerWaalsContact O-N 3.11Å; E72-L75 PolarHBondContact O-N 2.96Å; S73-L75 PolarHBondContact O-N 3.04Å; L75-A78 PolarHBondContact O-N 2.92Å; L75-F79 PolarHBondContact O-N 3.28Å; L75-I134 HydrophobicContact CD2-CD1 3.85Å; L75-I134 HydrophobicContact CD2-CG1 3.91Å; L75-F158 HydrophobicContact CB-CB 3.7Å; L75-F158 HydrophobicContact CB-CD1 3.99Å; L75-F158 HydrophobicContact CB-CG 3.97Å; L75-F158 HydrophobicContact CD1-CB 4.02Å; L75-N160 HydrophobicContact CD1-CB 3.72Å; L75-N160 HydrophobicContact CD2-CB 3.8Å; L75-N160 HydrophobicContact CG-CB 4.43Å
76	F	98.5	Very high	97.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.4	-45.7	176.5	-169.1	-87.9	0	0	0	110.7	E72 S73 A78 F79 Y80 A84 M98 L99 V101 F158	E72-F76 WeakPolarHBondContact O-CB 3.45Å; E72-F76 PolarHBondContact O-N 3.45Å; S73-F76 PolarHBondContact O-N 2.61Å; F76-A78 VanDerWaalsContact C-N 3.34Å; F76-A78 PolarHBondContact O-N 3.4Å; F76-F79 PolarHBondContact O-N 2.85Å; F76-Y80 AromaticContact CD1-CD2 3.88Å; F76-Y80 HydrophobicContact CD1-CD2 3.88Å; F76-Y80 AromaticContact CD2-CD2 3.74Å; F76-Y80 HydrophobicContact CD2-CD2 3.74Å; F76-Y80 AromaticContact CD2-CE2 3.91Å; F76-Y80 HydrophobicContact CD2-CE2 3.91Å; F76-Y80 AromaticContact CE1-CD2 3.63Å; F76-Y80 HydrophobicContact CE1-CD2 3.63Å; F76-Y80 HydrophobicContact CE1-CE2 4.46Å; F76-Y80 HydrophobicContact CE1-CG 4.04Å; F76-Y80 AromaticContact CE2-CD2 3.44Å; F76-Y80 HydrophobicContact CE2-CD2 3.44Å; F76-Y80 VanDerWaalsContact CE2-CD2 3.44Å; F76-Y80 AromaticContact CE2-CE2 3.47Å; F76-Y80 HydrophobicContact CE2-CE2 3.47Å; F76-Y80 VanDerWaalsContact CE2-CE2 3.47Å; F76-Y80 HydrophobicContact CE2-CG 4.46Å; F76-Y80 AromaticContact CG-CD2 3.94Å; F76-Y80 HydrophobicContact CG-CD2 3.94Å; F76-Y80 AromaticContact CZ-CD2 3.4Å; F76-Y80 HydrophobicContact CZ-CD2 3.4Å; F76-Y80 AromaticContact CZ-CE2 3.8Å; F76-Y80 HydrophobicContact CZ-CE2 3.8Å; F76-Y80 HydrophobicContact CZ-CG 4.01Å; F76-Y80 WeakPolarHBondContact O-CD2 3.25Å; F76-Y80 PolarHBondContact O-N 2.8Å; F76-A84 HydrophobicContact CD1-CB 3.89Å; F76-A84 HydrophobicContact CE1-CB 3.7Å; F76-A84 WeakPolarHBondContact CE1-O 3.44Å; F76-M98 HydrophobicContact CD2-CE 3.94Å; F76-M98 HydrophobicContact CE1-CB 4.13Å; F76-M98 HydrophobicContact CE2-CE 3.27Å; F76-M98 HydrophobicContact CZ-CB 4.16Å; F76-M98 HydrophobicContact CZ-CE 3.72Å; F76-L99 HydrophobicContact CE1-CB 4.11Å; F76-L99 HydrophobicContact CZ-CB 4.29Å; F76-V101 HydrophobicContact CE2-CG2 4.06Å; F76-V101 HydrophobicContact CZ-CG2 3.86Å; F76-F158 HydrophobicContact CB-CD2 4.28Å; F76-F158 HydrophobicContact CB-CE2 4.43Å; F76-F158 AromaticContact CD2-CD2 3.95Å; F76-F158 HydrophobicContact CD2-CD2 3.95Å; F76-F158 AromaticContact CD2-CE2 3.76Å; F76-F158 HydrophobicContact CD2-CE2 3.76Å; F76-F158 HydrophobicContact CE2-CE2 4.45Å; F76-F158 HydrophobicContact CG-CE2 4.45Å
77	N	98.3	Very high	97.6	Very high	24 Å²	24	59.1 Å²	59.1	13%	0.128	30%	0.304	C	S	.	.	H	α-helix	trans	-67.9	-34.8	-179.9	-67.1	2.6	0	0	0	111.7	S73 E74 F79 G81 D82 S85	S73-N77 VanDerWaalsContact O-CB 3.32Å; S73-N77 WeakPolarHBondContact O-CB 3.42Å; S73-N77 PolarHBondContact O-N 2.74Å; S73-N77 PolarHBondContact O-OD1 2.83Å; E74-N77 PolarHBondContact O-N 2.78Å; N77-F79 PolarHBondContact O-N 3.16Å; N77-G81 CarbonylContact C-O 3.27Å; N77-G81 WeakPolarHBondContact CA-O 3.34Å; N77-G81 WeakPolarHBondContact CB-O 3.37Å; N77-G81 CarbonylContact O-C 3.52Å; N77-G81 VanDerWaalsContact O-CA 3.26Å; N77-G81 WeakPolarHBondContact O-CA 3.46Å; N77-G81 PolarHBondContact O-N 3.07Å; N77-D82 PolarHBondContact ND2-O 3.28Å; N77-S85 PolarHBondContact ND2-O 3.4Å; N77-S85 WeakPolarHBondContact OD1-CA 3.37Å; N77-S85 WeakPolarHBondContact OD1-CB 3.47Å; N77-S85 PolarHBondContact OD1-N 2.86Å; N77-S85 PolarHBondContact OD1-O 3.45Å; N77-S85 PolarHBondContact OD1-OG 2.9Å
78	A	98.2	Very high	97.6	Very high	49 Å²	49	54.6 Å²	54.6	41%	0.405	28%	0.283	S	S	.	.	H	α-helix	trans	-59.8	-30.8	174.3	0	0	0	0	0	113	E74 L75 F76 L132	E74-A78 WeakPolarHBondContact O-CB 3.36Å; E74-A78 PolarHBondContact O-N 3.22Å; L75-A78 PolarHBondContact O-N 2.92Å; F76-A78 VanDerWaalsContact C-N 3.34Å; F76-A78 PolarHBondContact O-N 3.4Å; A78-L132 WeakPolarHBondContact O-CD1 3.38Å
79	F	98.3	Very high	97.7	Very high	40 Å²	40	56.2 Å²	56.2	18%	0.175	29%	0.29	C	S	.	.	H	α-helix	trans	-93.5	-40.8	-180	-166	-88.1	0	0	0	113.3	L75 F76 N77 L125 K128 L129 L132 F154 P155 F158	L75-F79 PolarHBondContact O-N 3.28Å; F76-F79 PolarHBondContact O-N 2.85Å; N77-F79 PolarHBondContact O-N 3.16Å; F79-L125 HydrophobicContact CE2-CD1 3.98Å; F79-L125 HydrophobicContact CZ-CD1 3.91Å; F79-K128 HydrophobicContact CE2-CB 4.47Å; F79-L129 HydrophobicContact CD2-CD2 3.9Å; F79-L129 HydrophobicContact CE2-CD2 4.15Å; F79-L132 HydrophobicContact CB-CD1 4.42Å; F79-L132 HydrophobicContact CD2-CD1 4.07Å; F79-F154 HydrophobicContact CE1-CD1 4.39Å; F79-P155 HydrophobicContact CD1-CG 4Å; F79-P155 HydrophobicContact CD2-CG 4.15Å; F79-P155 VanDerWaalsContact CE1-CD 3.47Å; F79-P155 HydrophobicContact CE1-CG 3.79Å; F79-P155 HydrophobicContact CE2-CG 3.94Å; F79-P155 HydrophobicContact CG-CG 4.18Å; F79-P155 HydrophobicContact CZ-CG 3.75Å; F79-F158 HydrophobicContact CB-CE1 4.29Å; F79-F158 HydrophobicContact CB-CZ 3.82Å; F79-F158 HydrophobicContact CG-CZ 4.12Å
80	Y	98.2	Very high	97.6	Very high	35 Å²	35	60.5 Å²	60.5	14%	0.137	31%	0.307	C	S	.	.	H	α-helix	trans	-103	-11	-172	-67.5	-71	0	0	0	114.9	F76 V101 F154 P155 F158	F76-Y80 AromaticContact CD1-CD2 3.88Å; F76-Y80 HydrophobicContact CD1-CD2 3.88Å; F76-Y80 AromaticContact CD2-CD2 3.74Å; F76-Y80 HydrophobicContact CD2-CD2 3.74Å; F76-Y80 AromaticContact CD2-CE2 3.91Å; F76-Y80 HydrophobicContact CD2-CE2 3.91Å; F76-Y80 AromaticContact CE1-CD2 3.63Å; F76-Y80 HydrophobicContact CE1-CD2 3.63Å; F76-Y80 HydrophobicContact CE1-CE2 4.46Å; F76-Y80 HydrophobicContact CE1-CG 4.04Å; F76-Y80 AromaticContact CE2-CD2 3.44Å; F76-Y80 HydrophobicContact CE2-CD2 3.44Å; F76-Y80 VanDerWaalsContact CE2-CD2 3.44Å; F76-Y80 AromaticContact CE2-CE2 3.47Å; F76-Y80 HydrophobicContact CE2-CE2 3.47Å; F76-Y80 VanDerWaalsContact CE2-CE2 3.47Å; F76-Y80 HydrophobicContact CE2-CG 4.46Å; F76-Y80 AromaticContact CG-CD2 3.94Å; F76-Y80 HydrophobicContact CG-CD2 3.94Å; F76-Y80 AromaticContact CZ-CD2 3.4Å; F76-Y80 HydrophobicContact CZ-CD2 3.4Å; F76-Y80 AromaticContact CZ-CE2 3.8Å; F76-Y80 HydrophobicContact CZ-CE2 3.8Å; F76-Y80 HydrophobicContact CZ-CG 4.01Å; F76-Y80 WeakPolarHBondContact O-CD2 3.25Å; F76-Y80 PolarHBondContact O-N 2.8Å; Y80-V101 HydrophobicContact CD1-CG2 4.43Å; Y80-V101 HydrophobicContact CE1-CG1 4.05Å; Y80-V101 HydrophobicContact CE1-CG2 3.84Å; Y80-V101 HydrophobicContact CE2-CG2 3.93Å; Y80-V101 WeakPolarHBondContact OH-CG1 3.34Å; Y80-F154 HydrophobicContact CE1-CD1 4.08Å; Y80-F154 WeakPolarHBondContact OH-CB 3.37Å; Y80-P155 WeakPolarHBondContact CE2-O 3.47Å; Y80-P155 WeakPolarHBondContact OH-CD 3.48Å; Y80-P155 PolarHBondContact OH-O 2.75Å; Y80-F158 HydrophobicContact CD2-CE2 4.4Å; Y80-F158 AromaticContact CE2-CE2 3.86Å; Y80-F158 HydrophobicContact CE2-CE2 3.86Å; Y80-F158 HydrophobicContact CE2-CZ 4.11Å
81	G	97.2	Very high	97.4	Very high	32 Å²	32	57.5 Å²	57.5	33%	0.33	32%	0.317	S	S	.	.			trans	121.6	150.8	-179.2	0	0	0	0	0	112.8	N77 E83 A84	N77-G81 CarbonylContact C-O 3.27Å; N77-G81 WeakPolarHBondContact CA-O 3.34Å; N77-G81 WeakPolarHBondContact CB-O 3.37Å; N77-G81 CarbonylContact O-C 3.52Å; N77-G81 VanDerWaalsContact O-CA 3.26Å; N77-G81 WeakPolarHBondContact O-CA 3.46Å; N77-G81 PolarHBondContact O-N 3.07Å; G81-E83 PolarHBondContact O-N 3.2Å; G81-A84 WeakPolarHBondContact O-CB 3.12Å; G81-A84 PolarHBondContact O-N 3.13Å
82	D	95.3	Very high	97.2	Very high	146 Å²	146	55.1 Å²	55.1	78%	0.781	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.9	-168.3	-62.3	0.6	0	0	0	115.3	N77	N77-D82 PolarHBondContact ND2-O 3.28Å
83	E	95.7	Very high	97.2	Very high	187 Å²	187	56.6 Å²	56.6	87%	0.874	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	13.8	-179.1	-59.6	-174.5	127.1	0	0	112.9	G81 S85	G81-E83 PolarHBondContact O-N 3.2Å; E83-S85 PolarHBondContact O-N 3.14Å
84	A	97.5	Very high	97.2	Very high	16 Å²	16	56 Å²	56	13%	0.132	33%	0.325	C	S	.	.	S	Bend	trans	-69.8	-17.9	-175.5	0	0	0	0	0	113.4	F76 G81 M98 L99	F76-A84 HydrophobicContact CD1-CB 3.89Å; F76-A84 HydrophobicContact CE1-CB 3.7Å; F76-A84 WeakPolarHBondContact CE1-O 3.44Å; G81-A84 WeakPolarHBondContact O-CB 3.12Å; G81-A84 PolarHBondContact O-N 3.13Å; A84-M98 CarbonylContact O-C 3.6Å; A84-M98 WeakPolarHBondContact O-CA 3.18Å; A84-L99 HydrophobicContact CB-CB 4.48Å; A84-L99 PolarHBondContact O-N 3.3Å
85	S	98	Very high	97.1	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.063	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	157.9	174.3	75	0	0	0	0	112.9	S73 N77 E83 R97	S73-S85 WeakPolarHBondContact CA-OG 3.47Å; S73-S85 PolarHBondContact O-OG 3.36Å; S73-S85 PolarHBondContact OG-O 2.87Å; S73-S85 PolarHBondContact OG-OG 2.85Å; N77-S85 PolarHBondContact ND2-O 3.4Å; N77-S85 WeakPolarHBondContact OD1-CA 3.37Å; N77-S85 WeakPolarHBondContact OD1-CB 3.47Å; N77-S85 PolarHBondContact OD1-N 2.86Å; N77-S85 PolarHBondContact OD1-O 3.45Å; N77-S85 PolarHBondContact OD1-OG 2.9Å; E83-S85 PolarHBondContact O-N 3.14Å; S85-R97 CarbonylContact C-O 3.48Å; S85-R97 WeakPolarHBondContact CA-O 3.34Å; S85-R97 WeakPolarHBondContact CB-O 3.36Å
86	V	97.6	Very high	97.1	Very high	76 Å²	76	48.7 Å²	48.7	46%	0.461	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	140.1	176.3	63.2	0	0	0	0	111.1	I88 R97	V86-I88 HydrophobicContact CG1-CG1 4.47Å; V86-R97 HydrophobicContact CG1-CB 4.07Å; V86-R97 PolarHBondContact N-O 3.39Å; V86-R97 PolarHBondContact O-N 3.49Å
87	V	97.8	Very high	97.1	Very high	23 Å²	23	50.5 Å²	50.5	14%	0.139	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.5	174.3	177.9	0	0	0	0	110.6	L66 A69 W70 V94 Y95 L96	L66-V87 HydrophobicContact CD1-CG1 3.83Å; A69-V87 HydrophobicContact CB-CG1 4.2Å; A69-V87 HydrophobicContact CB-CG2 4.01Å; A69-V87 WeakPolarHBondContact O-CG2 3.4Å; W70-V87 VanDerWaalsContact CD1-CG2 3.43Å; W70-V87 HydrophobicContact CG-CG2 4.24Å; V87-V94 HydrophobicContact CG1-CG1 4.11Å; V87-Y95 CarbonylContact C-O 3.57Å; V87-Y95 VanDerWaalsContact CA-O 3.32Å; V87-Y95 WeakPolarHBondContact CA-O 3.32Å; V87-L96 HydrophobicContact CG2-CD1 4.1Å
88	I	97.1	Very high	97.1	Very high	13 Å²	13	50.1 Å²	50.1	7%	0.067	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.9	178.2	-61.9	168.5	0	0	0	108.7	V24 P27 Y52 V86 Y95 R97	V24-I88 HydrophobicContact CB-CD1 4.17Å; V24-I88 HydrophobicContact CG1-CD1 3.89Å; P27-I88 HydrophobicContact CG-CG2 3.97Å; Y52-I88 HydrophobicContact CE1-CD1 3.96Å; V86-I88 HydrophobicContact CG1-CG1 4.47Å; I88-Y95 PolarHBondContact N-O 3.33Å; I88-Y95 PolarHBondContact O-N 3.49Å; I88-R97 HydrophobicContact CD1-CB 3.83Å
89	Q	96.9	Very high	97.1	Very high	102 Å²	102	50 Å²	50	48%	0.477	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.1	172.3	-65.6	175.9	76	0	0	108	Y62 L66	Y62-Q89 WeakPolarHBondContact OH-CG 3.33Å; Y62-Q89 PolarHBondContact OH-OE1 2.91Å; L66-Q89 HydrophobicContact CD1-CG 3.76Å
90	Y	96.3	Very high	97.1	Very high	91 Å²	91	52.9 Å²	52.9	36%	0.357	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	138.1	-175.9	-172.6	-89.2	0	0	0	111.2	T25 E26 G92 D93	T25-Y90 VanDerWaalsContact O-CD2 3.22Å; T25-Y90 WeakPolarHBondContact O-CD2 3.43Å; E26-Y90 HydrophobicContact CB-CD2 4.05Å; E26-Y90 HydrophobicContact CB-CE2 3.64Å; E26-Y90 HydrophobicContact CG-CD1 4.28Å; E26-Y90 HydrophobicContact CG-CD2 4.25Å; E26-Y90 HydrophobicContact CG-CE1 3.74Å; E26-Y90 HydrophobicContact CG-CE2 3.66Å; E26-Y90 PolarHBondContact OE1-OH 2.87Å; E26-Y90 PolarHBondContact OE2-OH 3.35Å; Y90-G92 PolarHBondContact O-N 3.1Å; Y90-G92 VanDerWaalsContact O-N 3.1Å; Y90-D93 PolarHBondContact N-O 3.05Å; Y90-D93 VanDerWaalsContact N-O 3.13Å; Y90-D93 PolarHBondContact O-N 3.06Å
91	G	93.6	Very high	97.1	Very high	70 Å²	70	51.8 Å²	51.8	72%	0.722	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	17.5	176.2	0	0	0	0	0	115.3	D93	G91-D93 VanDerWaalsContact C-N 3.31Å
92	G	94.3	Very high	97.1	Very high	52 Å²	52	53.2 Å²	53.2	54%	0.536	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	1.1	-174	0	0	0	0	0	114.6	L57 Y62 Y90	L57-G92 VanDerWaalsContact CD1-O 3.28Å; L57-G92 WeakPolarHBondContact CD1-O 3.43Å; Y62-G92 WeakPolarHBondContact CE2-O 3.46Å; Y90-G92 PolarHBondContact O-N 3.1Å; Y90-G92 VanDerWaalsContact O-N 3.1Å
93	D	97.1	Very high	97.2	Very high	42 Å²	42	47.8 Å²	47.8	23%	0.225	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	161.6	176.8	-70.5	-45.5	0	0	0	111.5	K54 Y90 G91 Y95	K54-D93 WeakPolarHBondContact CE-OD2 3.45Å; K54-D93 IonicContact NZ-OD2 2.72Å; K54-D93 PolarHBondContact NZ-OD2 2.83Å; Y90-D93 PolarHBondContact N-O 3.05Å; Y90-D93 VanDerWaalsContact N-O 3.13Å; Y90-D93 PolarHBondContact O-N 3.06Å; G91-D93 VanDerWaalsContact C-N 3.31Å; D93-Y95 HydrophobicContact CB-CD2 4.34Å; D93-Y95 HydrophobicContact CB-CE2 3.45Å; D93-Y95 VanDerWaalsContact CB-CE2 3.45Å; D93-Y95 WeakPolarHBondContact CB-OH 3.35Å; D93-Y95 PolarHBondContact OD2-OH 3.09Å
94	V	97.6	Very high	97.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.8	174.5	-176.7	0	0	0	0	109.5	Y55 Y62 I65 L66 A69 V87	Y55-V94 HydrophobicContact CD2-CB 4.24Å; Y55-V94 HydrophobicContact CD2-CG1 3.89Å; Y55-V94 WeakPolarHBondContact CD2-O 3.26Å; Y55-V94 HydrophobicContact CE2-CG1 4.34Å; Y55-V94 PolarHBondContact N-O 2.88Å; Y55-V94 VanDerWaalsContact N-O 3.09Å; Y62-V94 HydrophobicContact CD2-CG2 4.23Å; Y62-V94 HydrophobicContact CE2-CG2 3.6Å; I65-V94 HydrophobicContact CG2-CB 4.27Å; I65-V94 HydrophobicContact CG2-CG2 4.37Å; L66-V94 HydrophobicContact CB-CG2 4.36Å; L66-V94 HydrophobicContact CD1-CG1 4Å; L66-V94 HydrophobicContact CD1-CG2 4.27Å; A69-V94 HydrophobicContact CB-CG1 3.68Å; V87-V94 HydrophobicContact CG1-CG1 4.11Å
95	Y	98.1	Very high	97.2	Very high	15 Å²	15	42.8 Å²	42.8	6%	0.059	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.4	178.8	-57	-96.9	0	0	0	110.5	P27 L29 K53 K54 V87 I88 D93	P27-Y95 HydrophobicContact CB-CD1 4.24Å; P27-Y95 HydrophobicContact CB-CE1 4.34Å; P27-Y95 HydrophobicContact CB-CG 4.45Å; P27-Y95 HydrophobicContact CG-CD1 4.09Å; P27-Y95 HydrophobicContact CG-CD2 3.79Å; P27-Y95 HydrophobicContact CG-CE1 4.36Å; P27-Y95 HydrophobicContact CG-CE2 4.08Å; P27-Y95 HydrophobicContact CG-CG 3.82Å; L29-Y95 HydrophobicContact CD1-CE1 4.22Å; L29-Y95 HydrophobicContact CD2-CD1 4.44Å; L29-Y95 HydrophobicContact CD2-CE1 4.18Å; K53-Y95 CarbonylContact O-C 3.55Å; K53-Y95 VanDerWaalsContact O-CA 3.23Å; K53-Y95 WeakPolarHBondContact O-CA 3.36Å; K54-Y95 HydrophobicContact CB-CD1 3.85Å; K54-Y95 HydrophobicContact CB-CE1 3.76Å; K54-Y95 HydrophobicContact CD-CE1 3.72Å; K54-Y95 WeakPolarHBondContact CE-OH 3.47Å; K54-Y95 HydrophobicContact CG-CD1 4.01Å; K54-Y95 HydrophobicContact CG-CE1 3.55Å; K54-Y95 PolarHBondContact NZ-OH 2.81Å; V87-Y95 CarbonylContact C-O 3.57Å; V87-Y95 VanDerWaalsContact CA-O 3.32Å; V87-Y95 WeakPolarHBondContact CA-O 3.32Å; I88-Y95 PolarHBondContact N-O 3.33Å; I88-Y95 PolarHBondContact O-N 3.49Å; D93-Y95 HydrophobicContact CB-CD2 4.34Å; D93-Y95 HydrophobicContact CB-CE2 3.45Å; D93-Y95 VanDerWaalsContact CB-CE2 3.45Å; D93-Y95 WeakPolarHBondContact CB-OH 3.35Å; D93-Y95 PolarHBondContact OD2-OH 3.09Å
96	L	98.1	Very high	97.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	112.5	161.4	175.6	67.9	0	0	0	107.5	K53 Y55 E72 V87 M98	K53-L96 HydrophobicContact CB-CB 4.2Å; K53-L96 PolarHBondContact N-O 3.04Å; K53-L96 PolarHBondContact O-N 3.11Å; Y55-L96 HydrophobicContact CE2-CB 3.85Å; E72-L96 HydrophobicContact CB-CD2 4.5Å; E72-L96 HydrophobicContact CG-CD2 3.97Å; V87-L96 HydrophobicContact CG2-CD1 4.1Å; L96-M98 HydrophobicContact CD2-SD 4.24Å; L96-M98 HydrophobicContact CG-CB 4.4Å
97	R	98	Very high	97.1	Very high	39 Å²	39	41.5 Å²	41.5	15%	0.147	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.3	168.5	-171.7	179	-172.9	-86.6	-0.7	107.6	D44 D47 L51 Y52 S85 V86 I88	D44-R97 IonicContact OD2-CZ 2.74Å; D44-R97 VanDerWaalsContact OD2-CZ 3.32Å; D44-R97 IonicContact OD2-NE 2.78Å; D44-R97 PolarHBondContact OD2-NE 2.95Å; D44-R97 IonicContact OD2-NH2 3.62Å; D44-R97 PolarHBondContact OD2-NH2 3.2Å; D47-R97 IonicContact OD2-CZ 3.57Å; D47-R97 IonicContact OD2-NH1 2.76Å; D47-R97 IonicContact OD2-NH2 3.34Å; D47-R97 PolarHBondContact OD2-NH2 2.94Å; L51-R97 WeakPolarHBondContact O-CA 3.13Å; Y52-R97 HydrophobicContact CD1-CB 3.85Å; Y52-R97 HydrophobicContact CD1-CG 4.04Å; Y52-R97 HydrophobicContact CE1-CB 3.62Å; Y52-R97 HydrophobicContact CE1-CG 3.57Å; Y52-R97 PolarHBondContact OH-NE 2.79Å; S85-R97 CarbonylContact C-O 3.48Å; S85-R97 WeakPolarHBondContact CA-O 3.34Å; S85-R97 WeakPolarHBondContact CB-O 3.36Å; V86-R97 HydrophobicContact CG1-CB 4.07Å; V86-R97 PolarHBondContact N-O 3.39Å; V86-R97 PolarHBondContact O-N 3.49Å; I88-R97 HydrophobicContact CD1-CB 3.83Å
98	M	98	Very high	97	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.5	-172.1	57.6	-173.8	-80.3	0	0	111.8	A50 L51 F76 A84 L96 R100	A50-M98 CarbonylContact C-O 3.56Å; A50-M98 WeakPolarHBondContact CA-O 3.47Å; L51-M98 HydrophobicContact CB-CG 4.28Å; L51-M98 PolarHBondContact N-O 2.64Å; L51-M98 PolarHBondContact O-N 2.96Å; F76-M98 HydrophobicContact CD2-CE 3.94Å; F76-M98 HydrophobicContact CE1-CB 4.13Å; F76-M98 HydrophobicContact CE2-CE 3.27Å; F76-M98 HydrophobicContact CZ-CB 4.16Å; F76-M98 HydrophobicContact CZ-CE 3.72Å; A84-M98 CarbonylContact O-C 3.6Å; A84-M98 WeakPolarHBondContact O-CA 3.18Å; L96-M98 HydrophobicContact CD2-SD 4.24Å; L96-M98 HydrophobicContact CG-CB 4.4Å; M98-R100 PolarHBondContact O-N 2.89Å
99	L	97.9	Very high	97	Very high	45 Å²	45	46.2 Å²	46.2	24%	0.236	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	135.4	169.7	-177.9	69.5	0	0	0	110.3	F14 F76 A84 V101	F14-L99 HydrophobicContact CZ-CD2 4.06Å; F76-L99 HydrophobicContact CE1-CB 4.11Å; F76-L99 HydrophobicContact CZ-CB 4.29Å; A84-L99 HydrophobicContact CB-CB 4.48Å; A84-L99 PolarHBondContact O-N 3.3Å; L99-V101 PolarHBondContact O-N 3.4Å
100	R	98	Very high	96.8	Very high	101 Å²	101	47.2 Å²	47.2	38%	0.381	28%	0.283	S	S	.	.			trans	-74.1	102.9	170.6	-172.6	172.4	-170.3	151.1	5.7	109.1	E43 S49 L51 M98	E43-R100 IonicContact OE1-CZ 3.21Å; E43-R100 IonicContact OE1-NH1 3.95Å; E43-R100 PolarHBondContact OE1-NH1 3.16Å; E43-R100 IonicContact OE1-NH2 2.8Å; E43-R100 PolarHBondContact OE1-NH2 3.4Å; S49-R100 VanDerWaalsContact O-CB 3.25Å; S49-R100 WeakPolarHBondContact O-CB 3.17Å; S49-R100 PolarHBondContact O-N 3.36Å; L51-R100 HydrophobicContact CD1-CB 4.41Å; L51-R100 HydrophobicContact CD1-CG 4.12Å; L51-R100 HydrophobicContact CD2-CG 4.37Å; L51-R100 HydrophobicContact CG-CB 4.09Å; L51-R100 HydrophobicContact CG-CG 4.11Å; M98-R100 PolarHBondContact O-N 2.89Å
101	V	98.1	Very high	96.6	Very high	12 Å²	12	45.9 Å²	45.9	7%	0.073	28%	0.284	C	S	.	.			trans	-70.1	132.3	175.8	-177.6	0	0	0	0	109.5	F76 Y80 L99 L145 F154 I156	F76-V101 HydrophobicContact CE2-CG2 4.06Å; F76-V101 HydrophobicContact CZ-CG2 3.86Å; Y80-V101 HydrophobicContact CD1-CG2 4.43Å; Y80-V101 HydrophobicContact CE1-CG1 4.05Å; Y80-V101 HydrophobicContact CE1-CG2 3.84Å; Y80-V101 HydrophobicContact CE2-CG2 3.93Å; Y80-V101 WeakPolarHBondContact OH-CG1 3.34Å; L99-V101 PolarHBondContact O-N 3.4Å; V101-L145 HydrophobicContact CB-CD1 3.88Å; V101-L145 HydrophobicContact CG1-CD1 3.87Å; V101-F154 HydrophobicContact CG1-CB 3.49Å; V101-F154 VanDerWaalsContact CG1-CB 3.49Å; V101-F154 HydrophobicContact CG1-CD1 4.46Å; V101-F154 HydrophobicContact CG1-CD2 4.08Å; V101-F154 HydrophobicContact CG1-CG 3.79Å; V101-I156 HydrophobicContact CB-CG2 4.3Å; V101-I156 HydrophobicContact CG2-CG2 4.23Å
102	P	97.5	Very high	96.6	Very high	62 Å²	62	46.9 Å²	46.9	40%	0.403	29%	0.286	S	S	.	.			trans	-72.1	160.7	178.7	31.1	-35.9	0	0	0	111.9	D147 F154	P102-D147 HydrophobicContact CB-CB 4.37Å; P102-D147 HydrophobicContact CG-CB 4.47Å; P102-F154 HydrophobicContact CG-CD2 4.32Å; P102-F154 HydrophobicContact CG-CE2 3.9Å
103	G	97.2	Very high	96.6	Very high	33 Å²	33	50 Å²	50	34%	0.34	29%	0.29	S	S	.	.	S	Bend	trans	109.3	179.7	175.4	0	0	0	0	0	114	Y146	G103-Y146 CarbonylContact C-O 3.59Å; G103-Y146 WeakPolarHBondContact CA-O 3.43Å
104	T	96.9	Very high	96.5	Very high	68 Å²	68	48.3 Å²	48.3	42%	0.417	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	139.1	178.7	-55.8	0	0	0	0	108.6	L106 D108 I109 L145 Y146	T104-L106 PolarHBondContact O-N 3.17Å; T104-D108 HydrophobicContact CG2-CB 4.06Å; T104-I109 HydrophobicContact CG2-CD1 4.44Å; T104-I109 HydrophobicContact CG2-CG1 3.7Å; T104-I109 WeakPolarHBondContact O-CD1 3.44Å; T104-L145 CarbonylContact O-C 3.59Å; T104-L145 WeakPolarHBondContact O-CA 3.49Å; T104-Y146 PolarHBondContact N-O 3.22Å; T104-Y146 PolarHBondContact O-N 3.4Å
105	P	97.2	Very high	96.4	Very high	30 Å²	30	49.4 Å²	49.4	20%	0.195	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53	136.2	174.2	-24.8	33.6	0	0	0	111.3	S107 D108 I109 M144 L145	P105-S107 PolarHBondContact O-N 3.27Å; P105-S107 VanDerWaalsContact O-N 3.1Å; P105-D108 HydrophobicContact CB-CB 4.44Å; P105-D108 PolarHBondContact O-N 2.91Å; P105-I109 WeakPolarHBondContact O-CG1 3.4Å; P105-I109 PolarHBondContact O-N 2.94Å; P105-M144 WeakPolarHBondContact CA-O 3.36Å; P105-L145 HydrophobicContact CB-CD2 4.12Å; P105-L145 HydrophobicContact CG-CD2 3.59Å
106	L	97.8	Very high	96.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.5	177.1	-74.7	-179.6	0	0	0	113	T104 D108 I109 I118 T141 M144 L153 F187 L190	T104-L106 PolarHBondContact O-N 3.17Å; L106-D108 PolarHBondContact O-N 2.96Å; L106-I109 HydrophobicContact CD2-CD1 4.21Å; L106-I118 HydrophobicContact CD1-CD1 4.37Å; L106-I118 HydrophobicContact CD1-CG1 4.5Å; L106-I118 HydrophobicContact CD2-CD1 3.84Å; L106-I118 HydrophobicContact CD2-CG1 4.21Å; L106-T141 WeakPolarHBondContact CA-O 3.48Å; L106-T141 HydrophobicContact CB-CG2 4.23Å; L106-T141 WeakPolarHBondContact CB-O 3.39Å; L106-T141 PolarHBondContact N-O 2.99Å; L106-M144 HydrophobicContact CD1-CB 4.04Å; L106-M144 HydrophobicContact CD1-CE 4.05Å; L106-M144 HydrophobicContact CD1-SD 4.48Å; L106-M144 HydrophobicContact CG-CB 4.33Å; L106-M144 PolarHBondContact N-O 2.61Å; L106-L153 HydrophobicContact CD1-CD1 3.83Å; L106-L153 HydrophobicContact CD1-CD2 4.47Å; L106-L153 HydrophobicContact CD2-CD1 4.2Å; L106-L153 HydrophobicContact CG-CD1 3.96Å; L106-F187 HydrophobicContact CD1-CD2 4.04Å; L106-F187 HydrophobicContact CD1-CE2 3.92Å; L106-L190 HydrophobicContact CB-CD2 3.83Å
107	S	96	Very high	96.3	Very high	58 Å²	58	58.5 Å²	58.5	41%	0.406	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.9	174.7	58.3	0	0	0	0	114.1	P105 T141	P105-S107 PolarHBondContact O-N 3.27Å; P105-S107 VanDerWaalsContact O-N 3.1Å; S107-T141 PolarHBondContact N-O 2.79Å
108	D	96	Very high	96.2	Very high	111 Å²	111	56.7 Å²	56.7	59%	0.594	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-4.5	-169.9	-57.3	-10.6	0	0	0	112.4	T104 P105 L106	T104-D108 HydrophobicContact CG2-CB 4.06Å; P105-D108 HydrophobicContact CB-CB 4.44Å; P105-D108 PolarHBondContact O-N 2.91Å; L106-D108 PolarHBondContact O-N 2.96Å
109	I	95.4	Very high	96.2	Very high	23 Å²	23	59.8 Å²	59.8	12%	0.118	35%	0.346	C	S	.	.	S	Bend	trans	-83.8	129.5	177.8	-66.4	171.3	0	0	0	109.5	T104 P105 L106 D113 I114 Y146	T104-I109 HydrophobicContact CG2-CD1 4.44Å; T104-I109 HydrophobicContact CG2-CG1 3.7Å; T104-I109 WeakPolarHBondContact O-CD1 3.44Å; P105-I109 WeakPolarHBondContact O-CG1 3.4Å; P105-I109 PolarHBondContact O-N 2.94Å; L106-I109 HydrophobicContact CD2-CD1 4.21Å; I109-D113 HydrophobicContact CG2-CB 3.8Å; I109-I114 HydrophobicContact CB-CG1 4.46Å; I109-I114 HydrophobicContact CG2-CG1 3.81Å; I109-Y146 HydrophobicContact CD1-CD1 4.03Å; I109-Y146 HydrophobicContact CD1-CG 4.36Å
110	D	93.9	Very high	96.3	Very high	123 Å²	123	60.4 Å²	60.4	66%	0.658	35%	0.354	S	S	*	.			trans	-59.9	138.2	171.3	-77	-39.9	0	0	0	110.1	A112 D113	D110-A112 PolarHBondContact O-N 2.93Å; D110-D113 PolarHBondContact O-N 3.47Å
111	T	92.1	Very high	96.3	Very high	63 Å²	63	56.6 Å²	56.6	39%	0.387	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-56.7	-25.7	-174.4	52.4	0	0	0	0	114.1	D113 I114 R193	T111-D113 VanDerWaalsContact C-N 3.29Å; T111-D113 PolarHBondContact O-N 3.35Å; T111-I114 HydrophobicContact CG2-CD1 4.43Å; T111-I114 PolarHBondContact O-N 3.46Å; T111-R193 HydrophobicContact CG2-CB 4.35Å
112	A	93.2	Very high	96.3	Very high	92 Å²	92	56.3 Å²	56.3	76%	0.76	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-66.6	-27	175.1	0	0	0	0	0	113.8	D110	D110-A112 PolarHBondContact O-N 2.93Å
113	D	94.5	Very high	96.4	Very high	116 Å²	116	57.2 Å²	57.2	62%	0.62	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-96.7	-3.1	-178.5	-70.1	-19.5	0	0	0	112.6	I109 D110 T111	I109-D113 HydrophobicContact CG2-CB 3.8Å; D110-D113 PolarHBondContact O-N 3.47Å; T111-D113 VanDerWaalsContact C-N 3.29Å; T111-D113 PolarHBondContact O-N 3.35Å
114	I	95	Very high	96.4	Very high	7 Å²	7	60.1 Å²	60.1	4%	0.036	34%	0.344	C	S	.	.	S	Bend	trans	-74.2	122.3	174.8	-61.5	179.5	0	0	0	109.2	I109 T111 I118 L190 K194	I109-I114 HydrophobicContact CB-CG1 4.46Å; I109-I114 HydrophobicContact CG2-CG1 3.81Å; T111-I114 HydrophobicContact CG2-CD1 4.43Å; T111-I114 PolarHBondContact O-N 3.46Å; I114-I118 HydrophobicContact CG2-CB 3.91Å; I114-I118 HydrophobicContact CG2-CG1 4.08Å; I114-I118 HydrophobicContact CG2-CG2 3.65Å; I114-L190 HydrophobicContact CD1-CD1 3.8Å; I114-L190 HydrophobicContact CD1-CD2 3.9Å; I114-L190 HydrophobicContact CD1-CG 3.79Å; I114-K194 HydrophobicContact CB-CD 4.11Å; I114-K194 HydrophobicContact CG2-CD 3.92Å; I114-K194 WeakPolarHBondContact O-CE 3.03Å; I114-K194 PolarHBondContact O-NZ 3.18Å
115	P	96.3	Very high	96.5	Very high	23 Å²	23	57 Å²	57	15%	0.149	33%	0.325	C	S	.	.			trans	-71.8	155	-173.9	34.7	-41.3	0	0	0	112.3	N117 I118 Y146 K194	P115-N117 WeakPolarHBondContact CB-OD1 3.41Å; P115-N117 PolarHBondContact O-N 2.65Å; P115-I118 HydrophobicContact CG-CB 4Å; P115-I118 HydrophobicContact CG-CD1 4.15Å; P115-I118 WeakPolarHBondContact O-CB 3.48Å; P115-I118 WeakPolarHBondContact O-CG2 3.44Å; P115-I118 PolarHBondContact O-N 3.36Å; P115-Y146 HydrophobicContact CG-CD2 4.24Å; P115-Y146 HydrophobicContact CG-CE1 3.94Å; P115-Y146 HydrophobicContact CG-CE2 3.64Å; P115-Y146 VanDerWaalsContact CG-CZ 3.47Å; P115-K194 PolarHBondContact O-NZ 3.38Å
116	D	95.7	Very high	96.5	Very high	135 Å²	135	58.9 Å²	58.9	72%	0.722	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.6	-178.5	-72.9	-17.4	0	0	0	113.9	K194	D116-K194 VanDerWaalsContact CA-NZ 3.3Å; D116-K194 IonicContact OD1-NZ 3.82Å; D116-K194 PolarHBondContact OD1-NZ 3.08Å
117	N	97	Very high	96.6	Very high	71 Å²	71	62.5 Å²	62.5	38%	0.38	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	10.7	176.8	69.2	-18.9	0	0	0	113.5	P115 E119 S120 L121	P115-N117 WeakPolarHBondContact CB-OD1 3.41Å; P115-N117 PolarHBondContact O-N 2.65Å; N117-E119 VanDerWaalsContact C-N 3.27Å; N117-E119 PolarHBondContact O-N 3.32Å; N117-S120 WeakPolarHBondContact O-CA 3.39Å; N117-S120 VanDerWaalsContact O-CB 3.26Å; N117-S120 WeakPolarHBondContact O-CB 3.44Å; N117-S120 PolarHBondContact O-N 3Å; N117-L121 PolarHBondContact O-N 3.19Å
118	I	97.7	Very high	96.7	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-58.7	-36.4	-172.7	-167.2	59.9	0	0	0	113.3	L106 I114 P115 S120 L121 Y122 Y146 L153 F187 L191	L106-I118 HydrophobicContact CD1-CD1 4.37Å; L106-I118 HydrophobicContact CD1-CG1 4.5Å; L106-I118 HydrophobicContact CD2-CD1 3.84Å; L106-I118 HydrophobicContact CD2-CG1 4.21Å; I114-I118 HydrophobicContact CG2-CB 3.91Å; I114-I118 HydrophobicContact CG2-CG1 4.08Å; I114-I118 HydrophobicContact CG2-CG2 3.65Å; P115-I118 HydrophobicContact CG-CB 4Å; P115-I118 HydrophobicContact CG-CD1 4.15Å; P115-I118 WeakPolarHBondContact O-CB 3.48Å; P115-I118 WeakPolarHBondContact O-CG2 3.44Å; P115-I118 PolarHBondContact O-N 3.36Å; I118-S120 VanDerWaalsContact C-N 3.32Å; I118-S120 PolarHBondContact O-N 3.07Å; I118-L121 HydrophobicContact CD1-CD1 4.31Å; I118-L121 PolarHBondContact O-N 3.44Å; I118-Y122 WeakPolarHBondContact O-CB 3.02Å; I118-Y122 PolarHBondContact O-N 3.38Å; I118-Y146 HydrophobicContact CD1-CD2 4.34Å; I118-L153 HydrophobicContact CD1-CD1 4.1Å; I118-L153 HydrophobicContact CD1-CD2 4.38Å; I118-F187 HydrophobicContact CG1-CE2 4.09Å; I118-F187 HydrophobicContact CG1-CZ 4.28Å; I118-F187 HydrophobicContact CG2-CZ 4.48Å; I118-L191 HydrophobicContact CG2-CD2 3.36Å
119	E	98	Very high	96.8	Very high	80 Å²	80	58.6 Å²	58.6	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-64.3	-39.4	174.5	-173.3	175.4	-168.3	0	0	111.3	N117 Y122 L123 F187 Y188 L191	N117-E119 VanDerWaalsContact C-N 3.27Å; N117-E119 PolarHBondContact O-N 3.32Å; E119-Y122 PolarHBondContact O-N 3.32Å; E119-L123 HydrophobicContact CG-CD1 4.31Å; E119-L123 WeakPolarHBondContact O-CG 3.47Å; E119-L123 PolarHBondContact O-N 3.41Å; E119-F187 HydrophobicContact CG-CE1 4.49Å; E119-Y188 VanDerWaalsContact OE1-CE1 3.23Å; E119-Y188 WeakPolarHBondContact OE1-CE1 3.5Å; E119-Y188 PolarHBondContact OE1-OH 3.44Å; E119-L191 HydrophobicContact CB-CD1 4.01Å; E119-L191 HydrophobicContact CG-CD1 4.17Å
120	S	98.2	Very high	96.9	Very high	58 Å²	58	60.9 Å²	60.9	41%	0.406	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-43.7	175.8	-167	0	0	0	0	111.4	N117 I118 Y122 L123 Q124	N117-S120 WeakPolarHBondContact O-CA 3.39Å; N117-S120 VanDerWaalsContact O-CB 3.26Å; N117-S120 WeakPolarHBondContact O-CB 3.44Å; N117-S120 PolarHBondContact O-N 3Å; I118-S120 VanDerWaalsContact C-N 3.32Å; I118-S120 PolarHBondContact O-N 3.07Å; S120-Y122 VanDerWaalsContact C-N 3.35Å; S120-Y122 PolarHBondContact O-N 3.49Å; S120-L123 PolarHBondContact O-N 3.37Å; S120-Q124 WeakPolarHBondContact O-CB 3.37Å; S120-Q124 WeakPolarHBondContact O-CG 3.27Å; S120-Q124 PolarHBondContact O-N 3.04Å; S120-Q124 PolarHBondContact OG-NE2 3.07Å
121	L	98.4	Very high	97.1	Very high	21 Å²	21	60.6 Å²	60.6	11%	0.11	34%	0.335	C	S	.	.	H	α-helix	trans	-61.5	-42.4	176.4	-65.9	177.8	0	0	0	111.8	N117 I118 Q124 L125 Y146 L153	N117-L121 PolarHBondContact O-N 3.19Å; I118-L121 HydrophobicContact CD1-CD1 4.31Å; I118-L121 PolarHBondContact O-N 3.44Å; L121-Q124 PolarHBondContact O-N 2.92Å; L121-L125 VanDerWaalsContact O-CB 3.31Å; L121-L125 WeakPolarHBondContact O-CB 3.5Å; L121-L125 PolarHBondContact O-N 3.14Å; L121-Y146 HydrophobicContact CD1-CD2 4.24Å; L121-Y146 HydrophobicContact CD1-CE2 3.96Å; L121-L153 HydrophobicContact CB-CB 3.96Å; L121-L153 HydrophobicContact CB-CD2 4.39Å
122	Y	98.6	Very high	97.4	Very high	6 Å²	6	61.2 Å²	61.2	2%	0.024	34%	0.335	C	S	.	.	H	α-helix	trans	-60.7	-49.7	176.3	172.5	-111	0	0	0	112.7	I118 E119 S120 Q124 L125 I126 L139 M144 T184 F187 Y188	I118-Y122 WeakPolarHBondContact O-CB 3.02Å; I118-Y122 PolarHBondContact O-N 3.38Å; E119-Y122 PolarHBondContact O-N 3.32Å; S120-Y122 VanDerWaalsContact C-N 3.35Å; S120-Y122 PolarHBondContact O-N 3.49Å; Y122-Q124 VanDerWaalsContact C-N 3.34Å; Y122-Q124 PolarHBondContact O-N 3.37Å; Y122-L125 WeakPolarHBondContact O-CB 3.36Å; Y122-L125 PolarHBondContact O-N 3.12Å; Y122-I126 HydrophobicContact CD1-CD1 4.16Å; Y122-I126 HydrophobicContact CD2-CD1 4.45Å; Y122-I126 HydrophobicContact CE1-CD1 3.61Å; Y122-I126 HydrophobicContact CE2-CD1 3.95Å; Y122-I126 HydrophobicContact CE2-CG1 4.4Å; Y122-I126 PolarHBondContact O-N 3.07Å; Y122-L139 HydrophobicContact CE2-CD2 4.02Å; Y122-M144 HydrophobicContact CD2-CE 4.07Å; Y122-M144 HydrophobicContact CD2-SD 3.66Å; Y122-M144 HydrophobicContact CE2-CE 4.06Å; Y122-M144 HydrophobicContact CE2-SD 3.97Å; Y122-T184 PolarHBondContact OH-OG1 3.05Å; Y122-F187 AromaticContact CD1-CD1 3.58Å; Y122-F187 HydrophobicContact CD1-CD1 3.58Å; Y122-F187 AromaticContact CD1-CE1 3.46Å; Y122-F187 HydrophobicContact CD1-CE1 3.46Å; Y122-F187 VanDerWaalsContact CD1-CE1 3.46Å; Y122-F187 HydrophobicContact CD1-CG 4.26Å; Y122-F187 HydrophobicContact CD1-CZ 4.06Å; Y122-F187 HydrophobicContact CD2-CD1 4.29Å; Y122-F187 HydrophobicContact CD2-CD2 4.15Å; Y122-F187 HydrophobicContact CD2-CE1 4.4Å; Y122-F187 HydrophobicContact CD2-CE2 4.27Å; Y122-F187 HydrophobicContact CD2-CG 4.15Å; Y122-F187 HydrophobicContact CD2-CZ 4.41Å; Y122-F187 AromaticContact CE1-CD1 3.77Å; Y122-F187 HydrophobicContact CE1-CD1 3.77Å; Y122-F187 HydrophobicContact CE1-CE1 4.13Å; Y122-F187 HydrophobicContact CE1-CG 4.33Å; Y122-F187 HydrophobicContact CE2-CB 4.45Å; Y122-F187 HydrophobicContact CE2-CD1 4.44Å; Y122-F187 HydrophobicContact CE2-CG 4.23Å; Y122-F187 AromaticContact CG-CD1 3.85Å; Y122-F187 HydrophobicContact CG-CD1 3.85Å; Y122-F187 HydrophobicContact CG-CD2 4.23Å; Y122-F187 AromaticContact CG-CE1 3.61Å; Y122-F187 HydrophobicContact CG-CE1 3.61Å; Y122-F187 HydrophobicContact CG-CE2 4.03Å; Y122-F187 HydrophobicContact CG-CG 4.15Å; Y122-F187 AromaticContact CG-CZ 3.72Å; Y122-F187 HydrophobicContact CG-CZ 3.72Å; Y122-Y188 HydrophobicContact CE1-CE2 4.47Å
123	L	98.5	Very high	97.7	Very high	82 Å²	82	59.8 Å²	59.8	43%	0.429	32%	0.32	S	S	.	.	H	α-helix	trans	-65.6	-38.1	179.5	-64.1	176.1	0	0	0	111.8	E119 S120 I126 C127	E119-L123 HydrophobicContact CG-CD1 4.31Å; E119-L123 WeakPolarHBondContact O-CG 3.47Å; E119-L123 PolarHBondContact O-N 3.41Å; S120-L123 PolarHBondContact O-N 3.37Å; L123-I126 PolarHBondContact O-N 2.82Å; L123-C127 PolarHBondContact O-N 3.42Å; L123-C127 PolarHBondContact O-SG 3.42Å; L123-C127 VanDerWaalsContact O-SG 3.4Å
124	Q	98.3	Very high	97.8	Very high	93 Å²	93	54.4 Å²	54.4	44%	0.435	29%	0.291	S	S	.	.	H	α-helix	trans	-65.1	-39.6	173.7	-72.9	175.2	14.4	0	0	112.1	S120 L121 Y122 C127 K128	S120-Q124 WeakPolarHBondContact O-CB 3.37Å; S120-Q124 WeakPolarHBondContact O-CG 3.27Å; S120-Q124 PolarHBondContact O-N 3.04Å; S120-Q124 PolarHBondContact OG-NE2 3.07Å; L121-Q124 PolarHBondContact O-N 2.92Å; Y122-Q124 VanDerWaalsContact C-N 3.34Å; Y122-Q124 PolarHBondContact O-N 3.37Å; Q124-C127 PolarHBondContact O-N 2.69Å; Q124-K128 WeakPolarHBondContact O-CG 3.49Å; Q124-K128 PolarHBondContact O-N 3.25Å
125	L	98.5	Very high	98	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-44.4	176.3	174.6	58	0	0	0	111.3	F79 L121 Y122 C127 K128 L129 L139 M144 L153 P155	F79-L125 HydrophobicContact CE2-CD1 3.98Å; F79-L125 HydrophobicContact CZ-CD1 3.91Å; L121-L125 VanDerWaalsContact O-CB 3.31Å; L121-L125 WeakPolarHBondContact O-CB 3.5Å; L121-L125 PolarHBondContact O-N 3.14Å; Y122-L125 WeakPolarHBondContact O-CB 3.36Å; Y122-L125 PolarHBondContact O-N 3.12Å; L125-C127 VanDerWaalsContact C-N 3.3Å; L125-C127 PolarHBondContact O-N 3.05Å; L125-K128 PolarHBondContact O-N 3.39Å; L125-L129 HydrophobicContact CD1-CD1 4.04Å; L125-L129 HydrophobicContact CD1-CG 4.11Å; L125-L129 HydrophobicContact CG-CD1 4.04Å; L125-L129 WeakPolarHBondContact O-CG 3.49Å; L125-L129 PolarHBondContact O-N 3.44Å; L125-L139 HydrophobicContact CD2-CD1 4.31Å; L125-M144 HydrophobicContact CD2-CG 4.36Å; L125-M144 HydrophobicContact CD2-SD 4.24Å; L125-L153 HydrophobicContact CD2-CD2 4.04Å; L125-L153 HydrophobicContact CD2-CG 4.07Å; L125-P155 HydrophobicContact CD1-CB 4.27Å; L125-P155 HydrophobicContact CD1-CG 3.81Å; L125-P155 HydrophobicContact CD2-CB 4.34Å
126	I	98.6	Very high	98.1	Very high	69 Å²	69	55 Å²	55	35%	0.354	29%	0.292	S	S	.	.	H	α-helix	trans	-57.4	-45.2	174.4	-68.8	168.9	0	0	0	110.9	Y122 L123 L129 N130 L139	Y122-I126 HydrophobicContact CD1-CD1 4.16Å; Y122-I126 HydrophobicContact CD2-CD1 4.45Å; Y122-I126 HydrophobicContact CE1-CD1 3.61Å; Y122-I126 HydrophobicContact CE2-CD1 3.95Å; Y122-I126 HydrophobicContact CE2-CG1 4.4Å; Y122-I126 PolarHBondContact O-N 3.07Å; L123-I126 PolarHBondContact O-N 2.82Å; I126-L129 PolarHBondContact O-N 3.46Å; I126-N130 WeakPolarHBondContact O-CB 3.29Å; I126-N130 PolarHBondContact O-N 2.84Å; I126-L139 HydrophobicContact CG1-CD2 4.1Å
127	C	98.3	Very high	98.2	Very high	75 Å²	75	49.6 Å²	49.6	51%	0.507	26%	0.262	S	S	.	.	H	α-helix	trans	-62.3	-46.3	178	-69.2	0	0	0	0	112.2	L123 Q124 L125 L129 N130 E131	L123-C127 PolarHBondContact O-N 3.42Å; L123-C127 PolarHBondContact O-SG 3.42Å; L123-C127 VanDerWaalsContact O-SG 3.4Å; Q124-C127 PolarHBondContact O-N 2.69Å; L125-C127 VanDerWaalsContact C-N 3.3Å; L125-C127 PolarHBondContact O-N 3.05Å; C127-L129 VanDerWaalsContact C-N 3.34Å; C127-L129 PolarHBondContact O-N 3.18Å; C127-N130 PolarHBondContact O-N 3.35Å; C127-N130 VanDerWaalsContact O-N 3.12Å; C127-E131 WeakPolarHBondContact O-CG 3.44Å; C127-E131 PolarHBondContact O-N 3.5Å
128	K	98.1	Very high	98.3	Very high	85 Å²	85	47.2 Å²	47.2	37%	0.37	25%	0.249	S	C	.	.	H	α-helix	trans	-59.6	-43.2	177.4	-73	177.7	-179.7	178	0	112.1	F79 Q124 L125 N130 E131	F79-K128 HydrophobicContact CE2-CB 4.47Å; Q124-K128 WeakPolarHBondContact O-CG 3.49Å; Q124-K128 PolarHBondContact O-N 3.25Å; L125-K128 PolarHBondContact O-N 3.39Å; K128-N130 VanDerWaalsContact C-N 3.34Å; K128-E131 PolarHBondContact O-N 3.11Å
129	L	98.6	Very high	98.3	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-42.8	174.5	-71.5	168	0	0	0	111.2	F79 L125 I126 C127 E131 L132 S133 I134 H136 L139 P155 F158	F79-L129 HydrophobicContact CD2-CD2 3.9Å; F79-L129 HydrophobicContact CE2-CD2 4.15Å; L125-L129 HydrophobicContact CD1-CD1 4.04Å; L125-L129 HydrophobicContact CD1-CG 4.11Å; L125-L129 HydrophobicContact CG-CD1 4.04Å; L125-L129 WeakPolarHBondContact O-CG 3.49Å; L125-L129 PolarHBondContact O-N 3.44Å; I126-L129 PolarHBondContact O-N 3.46Å; C127-L129 VanDerWaalsContact C-N 3.34Å; C127-L129 PolarHBondContact O-N 3.18Å; L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 3.25Å; L129-L132 CarbonylContact O-C 3.55Å; L129-L132 WeakPolarHBondContact O-CA 3.27Å; L129-L132 WeakPolarHBondContact O-CB 3.3Å; L129-L132 PolarHBondContact O-N 3.17Å; L129-S133 PolarHBondContact O-N 3.37Å; L129-I134 CarbonylContact C-O 3.46Å; L129-I134 VanDerWaalsContact C-O 3.27Å; L129-I134 HydrophobicContact CB-CB 4.19Å; L129-I134 HydrophobicContact CD2-CB 4.36Å; L129-I134 HydrophobicContact CD2-CD1 4.37Å; L129-I134 HydrophobicContact CD2-CG2 4.19Å; L129-I134 WeakPolarHBondContact O-CA 3.47Å; L129-I134 WeakPolarHBondContact O-CB 3.35Å; L129-I134 PolarHBondContact O-N 2.65Å; L129-H136 HydrophobicContact CD1-CB 3.95Å; L129-L139 HydrophobicContact CD1-CD2 4.23Å; L129-P155 HydrophobicContact CD2-CG 4.22Å; L129-F158 HydrophobicContact CD2-CE1 3.76Å
130	N	98.1	Very high	98.3	Very high	70 Å²	70	45.1 Å²	45.1	37%	0.374	24%	0.241	S	C	.	.	H	α-helix	trans	-67.2	-31.1	179.7	-175.2	81.4	0	0	0	113.1	I126 C127 K128 L132 S133 I134 Y162	I126-N130 WeakPolarHBondContact O-CB 3.29Å; I126-N130 PolarHBondContact O-N 2.84Å; C127-N130 PolarHBondContact O-N 3.35Å; C127-N130 VanDerWaalsContact O-N 3.12Å; K128-N130 VanDerWaalsContact C-N 3.34Å; N130-L132 PolarHBondContact O-N 3.04Å; N130-S133 PolarHBondContact O-N 2.92Å; N130-I134 PolarHBondContact N-O 3.43Å; N130-Y162 WeakPolarHBondContact OD1-CE2 3.11Å
131	E	98.2	Very high	98.2	Very high	117 Å²	117	43 Å²	43	55%	0.547	23%	0.225	S	C	.	.	H	α-helix	trans	-61.3	-28.6	171.4	-72.2	165.4	176.4	0	0	112.3	I8 C127 K128 L129 S133	I8-E131 VanDerWaalsContact CD1-CD 3.49Å; I8-E131 WeakPolarHBondContact CD1-OE1 3.2Å; I8-E131 WeakPolarHBondContact CD1-OE2 3.39Å; C127-E131 WeakPolarHBondContact O-CG 3.44Å; C127-E131 PolarHBondContact O-N 3.5Å; K128-E131 PolarHBondContact O-N 3.11Å; L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 3.25Å; E131-S133 VanDerWaalsContact C-N 3.3Å
132	L	98	Very high	98.1	Very high	76 Å²	76	43 Å²	43	40%	0.398	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	10.6	173.5	-59.5	173.1	0	0	0	113	A78 F79 L129 N130 I134	A78-L132 WeakPolarHBondContact O-CD1 3.38Å; F79-L132 HydrophobicContact CB-CD1 4.42Å; F79-L132 HydrophobicContact CD2-CD1 4.07Å; L129-L132 CarbonylContact O-C 3.55Å; L129-L132 WeakPolarHBondContact O-CA 3.27Å; L129-L132 WeakPolarHBondContact O-CB 3.3Å; L129-L132 PolarHBondContact O-N 3.17Å; N130-L132 PolarHBondContact O-N 3.04Å; L132-I134 VanDerWaalsContact C-N 3.29Å; L132-I134 HydrophobicContact CB-CD1 3.9Å; L132-I134 HydrophobicContact CB-CG1 3.97Å; L132-I134 HydrophobicContact CD1-CD1 4.37Å; L132-I134 PolarHBondContact O-N 2.82Å
133	S	98.4	Very high	98.1	Very high	62 Å²	62	43.7 Å²	43.7	43%	0.434	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	40.2	-172.3	-53	0	0	0	0	113.3	L129 N130 E131 N160 Y162	L129-S133 PolarHBondContact O-N 3.37Å; N130-S133 PolarHBondContact O-N 2.92Å; E131-S133 VanDerWaalsContact C-N 3.3Å; S133-N160 PolarHBondContact O-ND2 2.9Å; S133-Y162 WeakPolarHBondContact O-CB 3.33Å; S133-Y162 WeakPolarHBondContact O-CD2 2.79Å
134	I	98.5	Very high	98.1	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	21%	0.214	C	C	.	.			trans	-115	121.8	177.8	-51.8	176.5	0	0	0	110	L75 L129 N130 L132 H136 N160	L75-I134 HydrophobicContact CD2-CD1 3.85Å; L75-I134 HydrophobicContact CD2-CG1 3.91Å; L129-I134 CarbonylContact C-O 3.46Å; L129-I134 VanDerWaalsContact C-O 3.27Å; L129-I134 HydrophobicContact CB-CB 4.19Å; L129-I134 HydrophobicContact CD2-CB 4.36Å; L129-I134 HydrophobicContact CD2-CD1 4.37Å; L129-I134 HydrophobicContact CD2-CG2 4.19Å; L129-I134 WeakPolarHBondContact O-CA 3.47Å; L129-I134 WeakPolarHBondContact O-CB 3.35Å; L129-I134 PolarHBondContact O-N 2.65Å; N130-I134 PolarHBondContact N-O 3.43Å; L132-I134 VanDerWaalsContact C-N 3.29Å; L132-I134 HydrophobicContact CB-CD1 3.9Å; L132-I134 HydrophobicContact CB-CG1 3.97Å; L132-I134 HydrophobicContact CD1-CD1 4.37Å; L132-I134 PolarHBondContact O-N 2.82Å; I134-H136 HydrophobicContact CG2-CB 4.5Å; I134-N160 WeakPolarHBondContact CA-OD1 3.25Å; I134-N160 HydrophobicContact CG2-CB 4.45Å
135	I	98.6	Very high	98.1	Very high	32 Å²	32	36.1 Å²	36.1	16%	0.164	20%	0.197	C	C	.	.			trans	-105.3	104.9	158.8	-58.3	-179.4	0	0	0	106	Y137 N160 I161 Y162 Y165 Y166 L180	I135-Y137 PolarHBondContact O-N 3.34Å; I135-N160 PolarHBondContact N-OD1 2.82Å; I135-N160 PolarHBondContact O-OD1 3.04Å; I135-I161 HydrophobicContact CB-CG2 3.75Å; I135-I161 HydrophobicContact CG2-CG2 3.59Å; I135-I161 PolarHBondContact O-N 3.29Å; I135-Y162 HydrophobicContact CD1-CD2 4.25Å; I135-Y162 HydrophobicContact CG1-CD2 3.73Å; I135-Y162 HydrophobicContact CG1-CG 4.26Å; I135-Y165 HydrophobicContact CD1-CD1 4.01Å; I135-Y165 HydrophobicContact CD1-CG 4.36Å; I135-Y166 HydrophobicContact CD1-CE2 4.26Å; I135-L180 HydrophobicContact CG2-CD1 4.04Å; I135-L180 HydrophobicContact CG2-CD2 3.84Å
136	H	98.5	Very high	98.1	Very high	10 Å²	10	37 Å²	37	5%	0.046	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-72.3	102.4	-176.2	-168	-53.9	0	0	0	110.7	L129 I134 D138 L139 I156 D157 F158 R159	L129-H136 HydrophobicContact CD1-CB 3.95Å; I134-H136 HydrophobicContact CG2-CB 4.5Å; H136-D138 PolarHBondContact ND1-N 2.76Å; H136-D138 PolarHBondContact O-N 3.14Å; H136-D138 VanDerWaalsContact O-N 3.14Å; H136-L139 HydrophobicContact CB-CB 3.97Å; H136-L139 HydrophobicContact CB-CD1 4.32Å; H136-L139 PolarHBondContact ND1-N 3.41Å; H136-L139 VanDerWaalsContact ND1-N 3.19Å; H136-L139 PolarHBondContact O-N 3.46Å; H136-I156 PolarHBondContact CE1-O 3.19Å; H136-I156 PolarHBondContact NE2-O 3.09Å; H136-D157 PolarHBondContact CE1-O 2.91Å; H136-D157 PolarHBondContact NE2-O 3.24Å; H136-F158 AromaticContact CD2-CD1 3.69Å; H136-F158 WeakPolarHBondContact NE2-CA 3.42Å; H136-R159 CarbonylContact C-O 3.6Å; H136-R159 WeakPolarHBondContact CA-O 3.37Å
137	Y	98.3	Very high	98.1	Very high	21 Å²	21	34.5 Å²	34.5	8%	0.082	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-10.1	-168.8	-161.8	-140.2	0	0	0	114.2	I135 R159 I161 I176 R179 L180	I135-Y137 PolarHBondContact O-N 3.34Å; Y137-R159 WeakPolarHBondContact CB-O 3.15Å; Y137-R159 HydrophobicContact CD1-CG 4.48Å; Y137-R159 PolarHBondContact N-O 3.34Å; Y137-I161 HydrophobicContact CD1-CB 4.44Å; Y137-I161 HydrophobicContact CD1-CD1 4.32Å; Y137-I161 HydrophobicContact CD2-CB 3.83Å; Y137-I161 HydrophobicContact CD2-CG1 4.02Å; Y137-I161 HydrophobicContact CD2-CG2 3.62Å; Y137-I161 HydrophobicContact CE1-CD1 4.21Å; Y137-I161 HydrophobicContact CE2-CB 4.41Å; Y137-I161 HydrophobicContact CE2-CG1 4.08Å; Y137-I161 HydrophobicContact CE2-CG2 4.32Å; Y137-I161 HydrophobicContact CG-CB 3.85Å; Y137-I161 HydrophobicContact CG-CG1 4.25Å; Y137-I161 HydrophobicContact CG-CG2 4.03Å; Y137-I176 HydrophobicContact CD2-CG2 4.49Å; Y137-I176 HydrophobicContact CE2-CB 4.36Å; Y137-I176 HydrophobicContact CE2-CG2 3.86Å; Y137-R179 HydrophobicContact CD2-CG 4.5Å; Y137-R179 HydrophobicContact CE2-CB 3.75Å; Y137-R179 VanDerWaalsContact CE2-CD 3.41Å; Y137-R179 HydrophobicContact CE2-CG 4.04Å; Y137-R179 PolarHBondContact O-NE 3.28Å; Y137-L180 HydrophobicContact CD2-CD2 3.87Å; Y137-L180 HydrophobicContact CD2-CG 4.31Å; Y137-L180 HydrophobicContact CE2-CG 4.47Å
138	D	97.6	Very high	98	Very high	21 Å²	21	38.6 Å²	38.6	11%	0.112	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	30.5	176.6	-139.6	59.4	0	0	0	114.7	H136 N140 N143 R179 R183	H136-D138 PolarHBondContact ND1-N 2.76Å; H136-D138 PolarHBondContact O-N 3.14Å; H136-D138 VanDerWaalsContact O-N 3.14Å; D138-N140 VanDerWaalsContact C-N 3.3Å; D138-N140 PolarHBondContact O-N 3.06Å; D138-N140 PolarHBondContact O-ND2 2.96Å; D138-N140 VanDerWaalsContact O-ND2 3.13Å; D138-N140 PolarHBondContact OD2-ND2 2.84Å; D138-N143 PolarHBondContact O-ND2 2.81Å; D138-N143 PolarHBondContact OD2-ND2 2.83Å; D138-N143 VanDerWaalsContact OD2-ND2 3.16Å; D138-R179 IonicContact OD1-CZ 2.67Å; D138-R179 IonicContact OD1-NE 2.65Å; D138-R179 IonicContact OD1-NH2 2.7Å; D138-R179 PolarHBondContact OD1-NH2 3.4Å; D138-R183 IonicContact OD1-CZ 2.84Å; D138-R183 IonicContact OD1-NE 2.74Å; D138-R183 PolarHBondContact OD1-NE 3.01Å; D138-R183 IonicContact OD1-NH2 2.91Å; D138-R183 PolarHBondContact OD1-NH2 2.88Å; D138-R183 IonicContact OD2-NE 3.7Å
139	L	98.2	Very high	97.9	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.052	22%	0.218	C	C	.	.			trans	-76.3	74.2	-176.9	-163.5	69.7	0	0	0	112.8	Y122 L125 I126 L129 H136 M144 P155	Y122-L139 HydrophobicContact CE2-CD2 4.02Å; L125-L139 HydrophobicContact CD2-CD1 4.31Å; I126-L139 HydrophobicContact CG1-CD2 4.1Å; L129-L139 HydrophobicContact CD1-CD2 4.23Å; H136-L139 HydrophobicContact CB-CB 3.97Å; H136-L139 HydrophobicContact CB-CD1 4.32Å; H136-L139 PolarHBondContact ND1-N 3.41Å; H136-L139 VanDerWaalsContact ND1-N 3.19Å; H136-L139 PolarHBondContact O-N 3.46Å; L139-M144 HydrophobicContact CD1-CG 3.57Å; L139-M144 HydrophobicContact CD1-SD 3.95Å; L139-M144 HydrophobicContact CD2-SD 4.32Å; L139-M144 HydrophobicContact CG-CE 4.49Å; L139-M144 HydrophobicContact CG-CG 4.04Å; L139-M144 HydrophobicContact CG-SD 3.81Å; L139-P155 HydrophobicContact CD1-CB 4.24Å
140	N	97.3	Very high	97.8	Very high	29 Å²	29	44.2 Å²	44.2	16%	0.155	23%	0.228	C	C	.	.	S	Bend	trans	-103.7	177.3	174.4	64.5	68.1	0	0	0	111.7	D138 G142 N143 M144 D186	D138-N140 VanDerWaalsContact C-N 3.3Å; D138-N140 PolarHBondContact O-N 3.06Å; D138-N140 PolarHBondContact O-ND2 2.96Å; D138-N140 VanDerWaalsContact O-ND2 3.13Å; D138-N140 PolarHBondContact OD2-ND2 2.84Å; N140-G142 VanDerWaalsContact C-N 3.26Å; N140-G142 PolarHBondContact O-N 3.41Å; N140-G142 WeakPolarHBondContact OD1-CA 3.43Å; N140-G142 PolarHBondContact OD1-N 2.9Å; N140-N143 PolarHBondContact O-N 2.94Å; N140-N143 PolarHBondContact OD1-N 2.92Å; N140-M144 VanDerWaalsContact O-CE 3.29Å; N140-M144 WeakPolarHBondContact O-CE 3.48Å; N140-M144 PolarHBondContact O-N 2.95Å; N140-D186 HydrophobicContact CB-CB 4.44Å; N140-D186 WeakPolarHBondContact CB-OD2 3.33Å
141	T	97.6	Very high	97.8	Very high	12 Å²	12	47.1 Å²	47.1	7%	0.074	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-63.2	-24.7	-178.3	53.9	0	0	0	0	114.5	L106 S107 D186 L190	L106-T141 WeakPolarHBondContact CA-O 3.48Å; L106-T141 HydrophobicContact CB-CG2 4.23Å; L106-T141 WeakPolarHBondContact CB-O 3.39Å; L106-T141 PolarHBondContact N-O 2.99Å; S107-T141 PolarHBondContact N-O 2.79Å; T141-D186 VanDerWaalsContact CB-OD2 3.3Å; T141-D186 WeakPolarHBondContact CB-OD2 3.47Å; T141-D186 VanDerWaalsContact CG2-OD2 3.27Å; T141-D186 WeakPolarHBondContact CG2-OD2 3.39Å; T141-D186 PolarHBondContact N-OD2 2.9Å; T141-D186 PolarHBondContact OG1-OD2 3.03Å; T141-L190 HydrophobicContact CG2-CB 4.04Å; T141-L190 HydrophobicContact CG2-CD2 3.71Å; T141-L190 HydrophobicContact CG2-CG 4.49Å
142	G	96.6	Very high	97.8	Very high	22 Å²	22	42.6 Å²	42.6	23%	0.227	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-76.3	-24.5	172.3	0	0	0	0	0	113.6	N140	N140-G142 VanDerWaalsContact C-N 3.26Å; N140-G142 PolarHBondContact O-N 3.41Å; N140-G142 WeakPolarHBondContact OD1-CA 3.43Å; N140-G142 PolarHBondContact OD1-N 2.9Å
143	N	98	Very high	97.8	Very high	21 Å²	21	39.6 Å²	39.6	11%	0.112	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-102.7	18.2	-176.7	-71.7	-11	0	0	0	113.3	D138 N140 I156 D157	D138-N143 PolarHBondContact O-ND2 2.81Å; D138-N143 PolarHBondContact OD2-ND2 2.83Å; D138-N143 VanDerWaalsContact OD2-ND2 3.16Å; N140-N143 PolarHBondContact O-N 2.94Å; N140-N143 PolarHBondContact OD1-N 2.92Å; N143-I156 HydrophobicContact CB-CG1 4.33Å; N143-I156 PolarHBondContact O-N 2.88Å; N143-I156 VanDerWaalsContact O-N 3.09Å; N143-D157 HydrophobicContact CB-CB 4.49Å; N143-D157 PolarHBondContact ND2-OD2 3.43Å
144	M	98.4	Very high	97.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	115.6	174.3	-67.9	-175.8	-77.1	0	0	109.7	P105 L106 Y122 L125 L139 N140 L153 F154 F187	P105-M144 WeakPolarHBondContact CA-O 3.36Å; L106-M144 HydrophobicContact CD1-CB 4.04Å; L106-M144 HydrophobicContact CD1-CE 4.05Å; L106-M144 HydrophobicContact CD1-SD 4.48Å; L106-M144 HydrophobicContact CG-CB 4.33Å; L106-M144 PolarHBondContact N-O 2.61Å; Y122-M144 HydrophobicContact CD2-CE 4.07Å; Y122-M144 HydrophobicContact CD2-SD 3.66Å; Y122-M144 HydrophobicContact CE2-CE 4.06Å; Y122-M144 HydrophobicContact CE2-SD 3.97Å; L125-M144 HydrophobicContact CD2-CG 4.36Å; L125-M144 HydrophobicContact CD2-SD 4.24Å; L139-M144 HydrophobicContact CD1-CG 3.57Å; L139-M144 HydrophobicContact CD1-SD 3.95Å; L139-M144 HydrophobicContact CD2-SD 4.32Å; L139-M144 HydrophobicContact CG-CE 4.49Å; L139-M144 HydrophobicContact CG-CG 4.04Å; L139-M144 HydrophobicContact CG-SD 3.81Å; N140-M144 VanDerWaalsContact O-CE 3.29Å; N140-M144 WeakPolarHBondContact O-CE 3.48Å; N140-M144 PolarHBondContact O-N 2.95Å; M144-L153 HydrophobicContact CB-CD1 3.93Å; M144-L153 HydrophobicContact CB-CG 4.24Å; M144-L153 HydrophobicContact SD-CD2 3.9Å; M144-F154 CarbonylContact C-O 3.09Å; M144-F154 WeakPolarHBondContact CA-O 3.42Å; M144-F187 HydrophobicContact CE-CB 4.4Å; M144-F187 HydrophobicContact CE-CD2 3.88Å; M144-F187 HydrophobicContact CE-CG 4.48Å
145	L	98.4	Very high	97.8	Very high	15 Å²	15	37.7 Å²	37.7	8%	0.079	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	120.4	177.4	-53	-176.6	0	0	0	109.3	V101 T104 P105 L153 F154 I156	V101-L145 HydrophobicContact CB-CD1 3.88Å; V101-L145 HydrophobicContact CG1-CD1 3.87Å; T104-L145 CarbonylContact O-C 3.59Å; T104-L145 WeakPolarHBondContact O-CA 3.49Å; P105-L145 HydrophobicContact CB-CD2 4.12Å; P105-L145 HydrophobicContact CG-CD2 3.59Å; L145-L153 WeakPolarHBondContact O-CA 3.46Å; L145-F154 HydrophobicContact CB-CB 4.34Å; L145-F154 PolarHBondContact N-O 2.85Å; L145-F154 PolarHBondContact O-N 3.19Å; L145-I156 HydrophobicContact CD1-CD1 4.38Å; L145-I156 HydrophobicContact CD1-CG2 3.83Å; L145-I156 HydrophobicContact CD2-CD1 3.9Å; L145-I156 HydrophobicContact CG-CD1 4.09Å; L145-I156 HydrophobicContact CG-CG1 4.44Å; L145-I156 HydrophobicContact CG-CG2 4.07Å
146	Y	98.5	Very high	97.8	Very high	24 Å²	24	37.7 Å²	37.7	9%	0.094	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.7	167.5	175.2	-111.9	0	0	0	109.4	G103 T104 I109 P115 I118 L121 K148 S152	G103-Y146 CarbonylContact C-O 3.59Å; G103-Y146 WeakPolarHBondContact CA-O 3.43Å; T104-Y146 PolarHBondContact N-O 3.22Å; T104-Y146 PolarHBondContact O-N 3.4Å; I109-Y146 HydrophobicContact CD1-CD1 4.03Å; I109-Y146 HydrophobicContact CD1-CG 4.36Å; P115-Y146 HydrophobicContact CG-CD2 4.24Å; P115-Y146 HydrophobicContact CG-CE1 3.94Å; P115-Y146 HydrophobicContact CG-CE2 3.64Å; P115-Y146 VanDerWaalsContact CG-CZ 3.47Å; I118-Y146 HydrophobicContact CD1-CD2 4.34Å; L121-Y146 HydrophobicContact CD1-CD2 4.24Å; L121-Y146 HydrophobicContact CD1-CE2 3.96Å; Y146-K148 HydrophobicContact CE1-CB 4.2Å; Y146-S152 WeakPolarHBondContact CD2-O 3.38Å
147	D	98.2	Very high	97.7	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.08	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.9	172.5	175.8	38.5	0	0	0	110.1	P102 E149 S150 E151 S152 F154	P102-D147 HydrophobicContact CB-CB 4.37Å; P102-D147 HydrophobicContact CG-CB 4.47Å; D147-E149 PolarHBondContact OD1-N 3.24Å; D147-S150 VanDerWaalsContact OD2-CB 3.25Å; D147-S150 WeakPolarHBondContact OD2-CB 3.25Å; D147-S150 PolarHBondContact OD2-N 2.91Å; D147-S150 PolarHBondContact OD2-OG 3.47Å; D147-E151 VanDerWaalsContact O-CA 3.25Å; D147-E151 WeakPolarHBondContact O-CA 3.26Å; D147-E151 PolarHBondContact O-N 2.92Å; D147-S152 PolarHBondContact N-O 3.18Å; D147-S152 PolarHBondContact O-N 2.94Å; D147-S152 VanDerWaalsContact O-N 3.1Å; D147-F154 HydrophobicContact CB-CD2 4.13Å; D147-F154 HydrophobicContact CB-CE2 3.81Å
148	K	96.2	Very high	97.7	Very high	161 Å²	161	38.7 Å²	38.7	70%	0.7	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-25.8	178.7	65.5	-177.4	178.5	-175.5	0	113	Y146	Y146-K148 HydrophobicContact CE1-CB 4.2Å
149	E	96.4	Very high	97.7	Very high	174 Å²	174	43.9 Å²	43.9	81%	0.813	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-41.3	-177.5	-65.1	-174.1	176.3	0	0	111.1	D147	D147-E149 PolarHBondContact OD1-N 3.24Å
150	S	96.8	Very high	97.7	Very high	32 Å²	32	45.3 Å²	45.3	22%	0.224	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	2	175.6	64.7	0	0	0	0	114.7	D147 S152	D147-S150 VanDerWaalsContact OD2-CB 3.25Å; D147-S150 WeakPolarHBondContact OD2-CB 3.25Å; D147-S150 PolarHBondContact OD2-N 2.91Å; D147-S150 PolarHBondContact OD2-OG 3.47Å; S150-S152 PolarHBondContact O-N 2.57Å; S150-S152 VanDerWaalsContact O-N 3.11Å; S150-S152 PolarHBondContact O-OG 3.41Å; S150-S152 WeakPolarHBondContact OG-CB 3.38Å
151	E	96.9	Very high	97.7	Very high	131 Å²	131	44.6 Å²	44.6	61%	0.612	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.1	38.6	-173.7	-61.1	-173.8	150.2	0	0	113.1	D147	D147-E151 VanDerWaalsContact O-CA 3.25Å; D147-E151 WeakPolarHBondContact O-CA 3.26Å; D147-E151 PolarHBondContact O-N 2.92Å
152	S	97.6	Very high	97.8	Very high	22 Å²	22	47 Å²	47	15%	0.154	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	151.3	-169.8	-68.5	0	0	0	0	112.3	Y146 D147 S150 F154	Y146-S152 WeakPolarHBondContact CD2-O 3.38Å; D147-S152 PolarHBondContact N-O 3.18Å; D147-S152 PolarHBondContact O-N 2.94Å; D147-S152 VanDerWaalsContact O-N 3.1Å; S150-S152 PolarHBondContact O-N 2.57Å; S150-S152 VanDerWaalsContact O-N 3.11Å; S150-S152 PolarHBondContact O-OG 3.41Å; S150-S152 WeakPolarHBondContact OG-CB 3.38Å; S152-F154 VanDerWaalsContact CB-CZ 3.5Å
153	L	98.6	Very high	97.8	Very high	14 Å²	14	49 Å²	49	7%	0.073	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.4	174.1	-169.5	68.1	0	0	0	109.4	L106 I118 L121 L125 M144 L145	L106-L153 HydrophobicContact CD1-CD1 3.83Å; L106-L153 HydrophobicContact CD1-CD2 4.47Å; L106-L153 HydrophobicContact CD2-CD1 4.2Å; L106-L153 HydrophobicContact CG-CD1 3.96Å; I118-L153 HydrophobicContact CD1-CD1 4.1Å; I118-L153 HydrophobicContact CD1-CD2 4.38Å; L121-L153 HydrophobicContact CB-CB 3.96Å; L121-L153 HydrophobicContact CB-CD2 4.39Å; L125-L153 HydrophobicContact CD2-CD2 4.04Å; L125-L153 HydrophobicContact CD2-CG 4.07Å; M144-L153 HydrophobicContact CB-CD1 3.93Å; M144-L153 HydrophobicContact CB-CG 4.24Å; M144-L153 HydrophobicContact SD-CD2 3.9Å; L145-L153 WeakPolarHBondContact O-CA 3.46Å
154	F	98.7	Very high	97.9	Very high	25 Å²	25	52.8 Å²	52.8	11%	0.11	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.7	-171.4	-67.9	-63.8	0	0	0	111.7	F12 F79 Y80 V101 P102 M144 L145 D147 S152	F12-F154 HydrophobicContact CE2-CZ 4.37Å; F79-F154 HydrophobicContact CE1-CD1 4.39Å; Y80-F154 HydrophobicContact CE1-CD1 4.08Å; Y80-F154 WeakPolarHBondContact OH-CB 3.37Å; V101-F154 HydrophobicContact CG1-CB 3.49Å; V101-F154 VanDerWaalsContact CG1-CB 3.49Å; V101-F154 HydrophobicContact CG1-CD1 4.46Å; V101-F154 HydrophobicContact CG1-CD2 4.08Å; V101-F154 HydrophobicContact CG1-CG 3.79Å; P102-F154 HydrophobicContact CG-CD2 4.32Å; P102-F154 HydrophobicContact CG-CE2 3.9Å; M144-F154 CarbonylContact C-O 3.09Å; M144-F154 WeakPolarHBondContact CA-O 3.42Å; L145-F154 HydrophobicContact CB-CB 4.34Å; L145-F154 PolarHBondContact N-O 2.85Å; L145-F154 PolarHBondContact O-N 3.19Å; D147-F154 HydrophobicContact CB-CD2 4.13Å; D147-F154 HydrophobicContact CB-CE2 3.81Å; S152-F154 VanDerWaalsContact CB-CZ 3.5Å
155	P	98.7	Very high	97.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	142.2	175.7	33.8	-34.4	0	0	0	111.5	F79 Y80 L125 L129 L139 F158	F79-P155 HydrophobicContact CD1-CG 4Å; F79-P155 HydrophobicContact CD2-CG 4.15Å; F79-P155 VanDerWaalsContact CE1-CD 3.47Å; F79-P155 HydrophobicContact CE1-CG 3.79Å; F79-P155 HydrophobicContact CE2-CG 3.94Å; F79-P155 HydrophobicContact CG-CG 4.18Å; F79-P155 HydrophobicContact CZ-CG 3.75Å; Y80-P155 WeakPolarHBondContact CE2-O 3.47Å; Y80-P155 WeakPolarHBondContact OH-CD 3.48Å; Y80-P155 PolarHBondContact OH-O 2.75Å; L125-P155 HydrophobicContact CD1-CB 4.27Å; L125-P155 HydrophobicContact CD1-CG 3.81Å; L125-P155 HydrophobicContact CD2-CB 4.34Å; L129-P155 HydrophobicContact CD2-CG 4.22Å; L139-P155 HydrophobicContact CD1-CB 4.24Å; P155-F158 HydrophobicContact CB-CE1 4.27Å; P155-F158 HydrophobicContact CB-CZ 3.98Å; P155-F158 HydrophobicContact CG-CE1 4.09Å; P155-F158 HydrophobicContact CG-CE2 4.43Å; P155-F158 HydrophobicContact CG-CZ 3.6Å
156	I	98.1	Very high	97.8	Very high	33 Å²	33	60.9 Å²	60.9	17%	0.169	29%	0.288	C	S	.	.			trans	-133.9	172.6	170.6	59.7	167.9	0	0	0	109.8	V101 H136 N143 L145	V101-I156 HydrophobicContact CB-CG2 4.3Å; V101-I156 HydrophobicContact CG2-CG2 4.23Å; H136-I156 PolarHBondContact CE1-O 3.19Å; H136-I156 PolarHBondContact NE2-O 3.09Å; N143-I156 HydrophobicContact CB-CG1 4.33Å; N143-I156 PolarHBondContact O-N 2.88Å; N143-I156 VanDerWaalsContact O-N 3.09Å; L145-I156 HydrophobicContact CD1-CD1 4.38Å; L145-I156 HydrophobicContact CD1-CG2 3.83Å; L145-I156 HydrophobicContact CD2-CD1 3.9Å; L145-I156 HydrophobicContact CG-CD1 4.09Å; L145-I156 HydrophobicContact CG-CG1 4.44Å; L145-I156 HydrophobicContact CG-CG2 4.07Å
157	D	97	Very high	97.8	Very high	45 Å²	45	64 Å²	64	24%	0.241	32%	0.319	C	S	.	.	S	Bend	trans	57.9	56.6	176.1	-166.8	38.4	0	0	0	112.4	K53 H136 N143 R159	K53-D157 IonicContact NZ-OD1 3.6Å; K53-D157 PolarHBondContact NZ-OD1 2.76Å; H136-D157 PolarHBondContact CE1-O 2.91Å; H136-D157 PolarHBondContact NE2-O 3.24Å; N143-D157 HydrophobicContact CB-CB 4.49Å; N143-D157 PolarHBondContact ND2-OD2 3.43Å; D157-R159 PolarHBondContact O-N 3.04Å
158	F	98.1	Very high	97.8	Very high	7 Å²	7	64.3 Å²	64.3	3%	0.031	32%	0.324	C	S	.	.			trans	-66.1	132.9	-170	-75.8	-97.2	0	0	0	113	E72 L75 F76 F79 Y80 L129 H136 P155	E72-F158 HydrophobicContact CG-CB 4.33Å; L75-F158 HydrophobicContact CB-CB 3.7Å; L75-F158 HydrophobicContact CB-CD1 3.99Å; L75-F158 HydrophobicContact CB-CG 3.97Å; L75-F158 HydrophobicContact CD1-CB 4.02Å; F76-F158 HydrophobicContact CB-CD2 4.28Å; F76-F158 HydrophobicContact CB-CE2 4.43Å; F76-F158 AromaticContact CD2-CD2 3.95Å; F76-F158 HydrophobicContact CD2-CD2 3.95Å; F76-F158 AromaticContact CD2-CE2 3.76Å; F76-F158 HydrophobicContact CD2-CE2 3.76Å; F76-F158 HydrophobicContact CE2-CE2 4.45Å; F76-F158 HydrophobicContact CG-CE2 4.45Å; F79-F158 HydrophobicContact CB-CE1 4.29Å; F79-F158 HydrophobicContact CB-CZ 3.82Å; F79-F158 HydrophobicContact CG-CZ 4.12Å; Y80-F158 HydrophobicContact CD2-CE2 4.4Å; Y80-F158 AromaticContact CE2-CE2 3.86Å; Y80-F158 HydrophobicContact CE2-CE2 3.86Å; Y80-F158 HydrophobicContact CE2-CZ 4.11Å; L129-F158 HydrophobicContact CD2-CE1 3.76Å; H136-F158 AromaticContact CD2-CD1 3.69Å; H136-F158 WeakPolarHBondContact NE2-CA 3.42Å; P155-F158 HydrophobicContact CB-CE1 4.27Å; P155-F158 HydrophobicContact CB-CZ 3.98Å; P155-F158 HydrophobicContact CG-CE1 4.09Å; P155-F158 HydrophobicContact CG-CE2 4.43Å; P155-F158 HydrophobicContact CG-CZ 3.6Å
159	R	97.3	Very high	97.9	Very high	130 Å²	130	60.5 Å²	60.5	49%	0.491	31%	0.314	S	S	.	.			trans	-143.5	120.2	165.1	-176.1	175.8	178.5	169	4	109.6	H136 Y137 D157	H136-R159 CarbonylContact C-O 3.6Å; H136-R159 WeakPolarHBondContact CA-O 3.37Å; Y137-R159 WeakPolarHBondContact CB-O 3.15Å; Y137-R159 HydrophobicContact CD1-CG 4.48Å; Y137-R159 PolarHBondContact N-O 3.34Å; D157-R159 PolarHBondContact O-N 3.04Å
160	N	98.2	Very high	98	Very high	40 Å²	40	60 Å²	60	21%	0.214	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-90.3	143.8	179.9	-160.2	1	0	0	0	111.4	L75 S133 I134 I135 Y162	L75-N160 HydrophobicContact CD1-CB 3.72Å; L75-N160 HydrophobicContact CD2-CB 3.8Å; L75-N160 HydrophobicContact CG-CB 4.43Å; S133-N160 PolarHBondContact O-ND2 2.9Å; I134-N160 WeakPolarHBondContact CA-OD1 3.25Å; I134-N160 HydrophobicContact CG2-CB 4.45Å; I135-N160 PolarHBondContact N-OD1 2.82Å; I135-N160 PolarHBondContact O-OD1 3.04Å; N160-Y162 WeakPolarHBondContact OD1-CB 3.21Å; N160-Y162 PolarHBondContact OD1-N 3.45Å
161	I	98.4	Very high	98	Very high	14 Å²	14	65.6 Å²	65.6	7%	0.072	33%	0.329	C	S	.	.			trans	-129.5	10.2	168.7	-159.2	67.5	0	0	0	111.9	I135 Y137 E164 Y165 I176 L180	I135-I161 HydrophobicContact CB-CG2 3.75Å; I135-I161 HydrophobicContact CG2-CG2 3.59Å; I135-I161 PolarHBondContact O-N 3.29Å; Y137-I161 HydrophobicContact CD1-CB 4.44Å; Y137-I161 HydrophobicContact CD1-CD1 4.32Å; Y137-I161 HydrophobicContact CD2-CB 3.83Å; Y137-I161 HydrophobicContact CD2-CG1 4.02Å; Y137-I161 HydrophobicContact CD2-CG2 3.62Å; Y137-I161 HydrophobicContact CE1-CD1 4.21Å; Y137-I161 HydrophobicContact CE2-CB 4.41Å; Y137-I161 HydrophobicContact CE2-CG1 4.08Å; Y137-I161 HydrophobicContact CE2-CG2 4.32Å; Y137-I161 HydrophobicContact CG-CB 3.85Å; Y137-I161 HydrophobicContact CG-CG1 4.25Å; Y137-I161 HydrophobicContact CG-CG2 4.03Å; I161-E164 WeakPolarHBondContact CA-OE2 3.49Å; I161-E164 HydrophobicContact CD1-CB 3.72Å; I161-E164 HydrophobicContact CD1-CG 4.14Å; I161-E164 HydrophobicContact CG1-CB 4.21Å; I161-Y165 WeakPolarHBondContact O-CB 3.39Å; I161-Y165 PolarHBondContact O-N 2.83Å; I161-I176 HydrophobicContact CD1-CD1 4.3Å; I161-I176 HydrophobicContact CD1-CG1 4.43Å; I161-I176 HydrophobicContact CG1-CD1 3.91Å; I161-I176 HydrophobicContact CG1-CG1 4.04Å; I161-I176 HydrophobicContact CG1-CG2 3.93Å; I161-I176 HydrophobicContact CG2-CG2 4.16Å; I161-L180 HydrophobicContact CG2-CD2 4.48Å
162	Y	98.5	Very high	98	Very high	61 Å²	61	62.6 Å²	62.6	24%	0.239	32%	0.317	C	S	.	.	H	α-helix	trans	-57.3	-55.2	-172.7	-172.7	-75.1	0	0	0	111.9	N130 S133 I135 N160 Y165 Y166	N130-Y162 WeakPolarHBondContact OD1-CE2 3.11Å; S133-Y162 WeakPolarHBondContact O-CB 3.33Å; S133-Y162 WeakPolarHBondContact O-CD2 2.79Å; I135-Y162 HydrophobicContact CD1-CD2 4.25Å; I135-Y162 HydrophobicContact CG1-CD2 3.73Å; I135-Y162 HydrophobicContact CG1-CG 4.26Å; N160-Y162 WeakPolarHBondContact OD1-CB 3.21Å; N160-Y162 PolarHBondContact OD1-N 3.45Å; Y162-Y165 PolarHBondContact O-N 2.81Å; Y162-Y166 AromaticContact CD1-CD2 3.8Å; Y162-Y166 HydrophobicContact CD1-CD2 3.8Å; Y162-Y166 HydrophobicContact CD1-CE2 4.12Å; Y162-Y166 HydrophobicContact CD2-CE2 4.16Å; Y162-Y166 AromaticContact CE1-CD2 3.61Å; Y162-Y166 HydrophobicContact CE1-CD2 3.61Å; Y162-Y166 AromaticContact CE1-CE2 3.77Å; Y162-Y166 HydrophobicContact CE1-CE2 3.77Å; Y162-Y166 HydrophobicContact CE2-CD2 4.45Å; Y162-Y166 AromaticContact CE2-CE2 3.81Å; Y162-Y166 HydrophobicContact CE2-CE2 3.81Å; Y162-Y166 HydrophobicContact CG-CD2 4.28Å; Y162-Y166 HydrophobicContact CG-CE2 4.29Å; Y162-Y166 AromaticContact CZ-CD2 3.95Å; Y162-Y166 AromaticContact CZ-CE2 3.59Å; Y162-Y166 WeakPolarHBondContact O-CD2 3.21Å; Y162-Y166 PolarHBondContact O-N 3.41Å; Y162-Y166 VanDerWaalsContact O-N 3.15Å
163	A	97.9	Very high	98.1	Very high	65 Å²	65	64.6 Å²	64.6	54%	0.537	32%	0.323	S	S	.	.	H	α-helix	trans	-66.3	-44.4	-175.5	0	0	0	0	0	111.2	Y166 A167	A163-Y166 PolarHBondContact O-N 3.48Å; A163-A167 VanDerWaalsContact O-CB 3.28Å; A163-A167 WeakPolarHBondContact O-CB 3.33Å; A163-A167 PolarHBondContact O-N 2.96Å
164	E	98.1	Very high	98	Very high	101 Å²	101	68 Å²	68	47%	0.472	34%	0.339	S	S	.	.	H	α-helix	trans	-63.3	-42.6	178.6	-60.1	94.4	137.9	0	0	111.2	I161 A167 A168	I161-E164 WeakPolarHBondContact CA-OE2 3.49Å; I161-E164 HydrophobicContact CD1-CB 3.72Å; I161-E164 HydrophobicContact CD1-CG 4.14Å; I161-E164 HydrophobicContact CG1-CB 4.21Å; E164-A167 PolarHBondContact O-N 3.46Å; E164-A168 WeakPolarHBondContact O-CA 3.48Å; E164-A168 WeakPolarHBondContact O-CB 3.28Å; E164-A168 PolarHBondContact O-N 3.48Å
165	Y	98.4	Very high	98	Very high	56 Å²	56	70.3 Å²	70.3	22%	0.22	35%	0.352	C	S	.	.	H	α-helix	trans	-60.7	-48.6	177.1	178.3	-105.4	0	0	0	111.2	I135 I161 Y162 A167 A168 K173 I176 D177	I135-Y165 HydrophobicContact CD1-CD1 4.01Å; I135-Y165 HydrophobicContact CD1-CG 4.36Å; I161-Y165 WeakPolarHBondContact O-CB 3.39Å; I161-Y165 PolarHBondContact O-N 2.83Å; Y162-Y165 PolarHBondContact O-N 2.81Å; Y165-A167 PolarHBondContact O-N 3.15Å; Y165-A168 PolarHBondContact O-N 3.38Å; Y165-K173 HydrophobicContact CD2-CG 4.13Å; Y165-K173 HydrophobicContact CE2-CB 4.23Å; Y165-K173 HydrophobicContact CE2-CD 4.41Å; Y165-K173 HydrophobicContact CE2-CG 4Å; Y165-K173 WeakPolarHBondContact O-CE 3.45Å; Y165-I176 HydrophobicContact CD2-CB 4.19Å; Y165-I176 HydrophobicContact CD2-CD1 4.28Å; Y165-I176 HydrophobicContact CD2-CG2 3.68Å; Y165-I176 HydrophobicContact CE2-CG2 4.44Å; Y165-I176 HydrophobicContact CG-CG2 4.45Å; Y165-D177 WeakPolarHBondContact CE2-OD1 3.46Å
166	Y	98.3	Very high	98	Very high	129 Å²	129	70.9 Å²	70.9	51%	0.506	36%	0.355	S	S	.	.	H	α-helix	trans	-72.7	-28.1	-178.2	-74.5	-68.5	0	0	0	113.5	I135 Y162 A163	I135-Y166 HydrophobicContact CD1-CE2 4.26Å; Y162-Y166 AromaticContact CD1-CD2 3.8Å; Y162-Y166 HydrophobicContact CD1-CD2 3.8Å; Y162-Y166 HydrophobicContact CD1-CE2 4.12Å; Y162-Y166 HydrophobicContact CD2-CE2 4.16Å; Y162-Y166 AromaticContact CE1-CD2 3.61Å; Y162-Y166 HydrophobicContact CE1-CD2 3.61Å; Y162-Y166 AromaticContact CE1-CE2 3.77Å; Y162-Y166 HydrophobicContact CE1-CE2 3.77Å; Y162-Y166 HydrophobicContact CE2-CD2 4.45Å; Y162-Y166 AromaticContact CE2-CE2 3.81Å; Y162-Y166 HydrophobicContact CE2-CE2 3.81Å; Y162-Y166 HydrophobicContact CG-CD2 4.28Å; Y162-Y166 HydrophobicContact CG-CE2 4.29Å; Y162-Y166 AromaticContact CZ-CD2 3.95Å; Y162-Y166 AromaticContact CZ-CE2 3.59Å; Y162-Y166 WeakPolarHBondContact O-CD2 3.21Å; Y162-Y166 PolarHBondContact O-N 3.41Å; Y162-Y166 VanDerWaalsContact O-N 3.15Å; A163-Y166 PolarHBondContact O-N 3.48Å
167	A	98.3	Very high	98	Very high	89 Å²	89	72.4 Å²	72.4	74%	0.736	36%	0.363	S	S	*	.	H	α-helix	trans	-84.5	-16.3	175.5	0	0	0	0	0	114.3	A163 E164 Y165	A163-A167 VanDerWaalsContact O-CB 3.28Å; A163-A167 WeakPolarHBondContact O-CB 3.33Å; A163-A167 PolarHBondContact O-N 2.96Å; E164-A167 PolarHBondContact O-N 3.46Å; Y165-A167 PolarHBondContact O-N 3.15Å
168	A	97.7	Very high	98.1	Very high	22 Å²	22	77.5 Å²	77.5	18%	0.182	38%	0.379	C	S	.	.			trans	-66.4	150.4	-173	0	0	0	0	0	114.3	E164 Y165 D172 K173 I176	E164-A168 WeakPolarHBondContact O-CA 3.48Å; E164-A168 WeakPolarHBondContact O-CB 3.28Å; E164-A168 PolarHBondContact O-N 3.48Å; Y165-A168 PolarHBondContact O-N 3.38Å; A168-D172 HydrophobicContact CB-CB 3.83Å; A168-K173 HydrophobicContact CB-CG 3.77Å; A168-K173 WeakPolarHBondContact O-CE 3.14Å; A168-I176 HydrophobicContact CB-CD1 4.28Å
169	T	98.1	Very high	98.1	Very high	81 Å²	81	80.6 Å²	80.6	50%	0.497	39%	0.39	S	S	.	.			trans	-66	164.6	165.8	76.8	0	0	0	0	110.4	K171 D172 K173	T169-K171 PolarHBondContact O-N 3.31Å; T169-K171 PolarHBondContact OG1-N 3.33Å; T169-D172 PolarHBondContact O-N 3.06Å; T169-D172 VanDerWaalsContact O-N 3.14Å; T169-D172 PolarHBondContact OG1-N 3.08Å; T169-D172 PolarHBondContact OG1-OD2 3.33Å; T169-K173 WeakPolarHBondContact O-CG 3.43Å; T169-K173 PolarHBondContact O-N 3.32Å
170	K	97.6	Very high	98.2	Very high	163 Å²	163	76.2 Å²	76.2	71%	0.709	38%	0.376	S	S	*	.	H	α-helix	trans	-54.8	-41	176	-174.3	179.2	176.7	-176	0	112.5	D172 K173 E174	K170-D172 VanDerWaalsContact C-N 3.35Å; K170-D172 PolarHBondContact O-N 3.35Å; K170-K173 PolarHBondContact O-N 2.89Å; K170-E174 WeakPolarHBondContact CE-OE1 3.46Å; K170-E174 WeakPolarHBondContact O-CG 3.09Å; K170-E174 PolarHBondContact O-N 3.02Å
171	K	97.4	Very high	98.2	Very high	149 Å²	149	79.4 Å²	79.4	65%	0.648	39%	0.39	S	S	*	.	H	α-helix	trans	-64.6	-40.4	180	-175.6	-176	176	-172.6	0	111.7	T169 E174 I175	T169-K171 PolarHBondContact O-N 3.31Å; T169-K171 PolarHBondContact OG1-N 3.33Å; K171-E174 PolarHBondContact O-N 3.48Å; K171-I175 PolarHBondContact O-N 3.23Å
172	D	97.9	Very high	98.2	Very high	69 Å²	69	84.3 Å²	84.3	37%	0.369	41%	0.414	S	S	.	.	H	α-helix	trans	-74.6	-36.5	-179.8	-55.6	-46.5	0	0	0	111.2	A168 T169 K170 E174 I175 I176	A168-D172 HydrophobicContact CB-CB 3.83Å; T169-D172 PolarHBondContact O-N 3.06Å; T169-D172 VanDerWaalsContact O-N 3.14Å; T169-D172 PolarHBondContact OG1-N 3.08Å; T169-D172 PolarHBondContact OG1-OD2 3.33Å; K170-D172 VanDerWaalsContact C-N 3.35Å; K170-D172 PolarHBondContact O-N 3.35Å; D172-E174 VanDerWaalsContact C-N 3.33Å; D172-E174 PolarHBondContact O-N 3.13Å; D172-I175 WeakPolarHBondContact O-CB 3.31Å; D172-I175 PolarHBondContact O-N 3.34Å; D172-I176 WeakPolarHBondContact O-CG1 3.44Å; D172-I176 PolarHBondContact O-N 3.48Å
173	K	98.3	Very high	98.1	Very high	63 Å²	63	83.7 Å²	83.7	27%	0.274	41%	0.411	S	S	.	.	H	α-helix	trans	-56.5	-46	169.8	-75	179.9	173	172.5	0	111.6	Y165 A168 T169 K170 I175 I176 D177	Y165-K173 HydrophobicContact CD2-CG 4.13Å; Y165-K173 HydrophobicContact CE2-CB 4.23Å; Y165-K173 HydrophobicContact CE2-CD 4.41Å; Y165-K173 HydrophobicContact CE2-CG 4Å; Y165-K173 WeakPolarHBondContact O-CE 3.45Å; A168-K173 HydrophobicContact CB-CG 3.77Å; A168-K173 WeakPolarHBondContact O-CE 3.14Å; T169-K173 WeakPolarHBondContact O-CG 3.43Å; T169-K173 PolarHBondContact O-N 3.32Å; K170-K173 PolarHBondContact O-N 2.89Å; K173-I175 PolarHBondContact O-N 3.03Å; K173-I176 CarbonylContact O-C 3.57Å; K173-I176 PolarHBondContact O-N 3.15Å; K173-D177 WeakPolarHBondContact O-CB 3.32Å; K173-D177 PolarHBondContact O-N 3.47Å
174	E	98.1	Very high	98.1	Very high	85 Å²	85	82.5 Å²	82.5	40%	0.397	40%	0.397	S	S	.	.	H	α-helix	trans	-60.3	-30.2	176.6	-72.1	168.7	-170.2	0	0	112.9	K170 K171 D172 R178	K170-E174 WeakPolarHBondContact CE-OE1 3.46Å; K170-E174 WeakPolarHBondContact O-CG 3.09Å; K170-E174 PolarHBondContact O-N 3.02Å; K171-E174 PolarHBondContact O-N 3.48Å; D172-E174 VanDerWaalsContact C-N 3.33Å; D172-E174 PolarHBondContact O-N 3.13Å; E174-R178 WeakPolarHBondContact O-CG 3.47Å; E174-R178 PolarHBondContact O-N 3.18Å; E174-R178 PolarHBondContact O-NH1 3.41Å
175	I	98.2	Very high	98.1	Very high	75 Å²	75	81.5 Å²	81.5	39%	0.385	40%	0.395	S	S	.	.	H	α-helix	trans	-71.1	-47.1	173.6	-63.7	164.3	0	0	0	110.4	K171 D172 K173 R178 R179	K171-I175 PolarHBondContact O-N 3.23Å; D172-I175 WeakPolarHBondContact O-CB 3.31Å; D172-I175 PolarHBondContact O-N 3.34Å; K173-I175 PolarHBondContact O-N 3.03Å; I175-R178 VanDerWaalsContact CG1-NH2 3.27Å; I175-R178 PolarHBondContact O-N 3.41Å; I175-R179 PolarHBondContact O-N 2.94Å
176	I	98.4	Very high	98.1	Very high	12 Å²	12	81.8 Å²	81.8	6%	0.062	40%	0.4	C	S	.	.	H	α-helix	trans	-60.5	-47.6	177.9	-66.4	166.1	0	0	0	110.2	Y137 I161 Y165 A168 D172 K173 R178 R179 L180	Y137-I176 HydrophobicContact CD2-CG2 4.49Å; Y137-I176 HydrophobicContact CE2-CB 4.36Å; Y137-I176 HydrophobicContact CE2-CG2 3.86Å; I161-I176 HydrophobicContact CD1-CD1 4.3Å; I161-I176 HydrophobicContact CD1-CG1 4.43Å; I161-I176 HydrophobicContact CG1-CD1 3.91Å; I161-I176 HydrophobicContact CG1-CG1 4.04Å; I161-I176 HydrophobicContact CG1-CG2 3.93Å; I161-I176 HydrophobicContact CG2-CG2 4.16Å; Y165-I176 HydrophobicContact CD2-CB 4.19Å; Y165-I176 HydrophobicContact CD2-CD1 4.28Å; Y165-I176 HydrophobicContact CD2-CG2 3.68Å; Y165-I176 HydrophobicContact CE2-CG2 4.44Å; Y165-I176 HydrophobicContact CG-CG2 4.45Å; A168-I176 HydrophobicContact CB-CD1 4.28Å; D172-I176 WeakPolarHBondContact O-CG1 3.44Å; D172-I176 PolarHBondContact O-N 3.48Å; K173-I176 CarbonylContact O-C 3.57Å; K173-I176 PolarHBondContact O-N 3.15Å; I176-R178 VanDerWaalsContact C-N 3.31Å; I176-R178 PolarHBondContact O-N 3.07Å; I176-R179 PolarHBondContact O-N 3.45Å; I176-L180 HydrophobicContact CG2-CD1 3.78Å; I176-L180 HydrophobicContact CG2-CG 4.14Å; I176-L180 WeakPolarHBondContact O-CG 3.34Å; I176-L180 PolarHBondContact O-N 2.95Å
177	D	98.5	Very high	98.1	Very high	64 Å²	64	75.6 Å²	75.6	34%	0.342	38%	0.376	S	S	.	.	H	α-helix	trans	-56.5	-42.5	179.3	-69.5	-22.4	0	0	0	111.7	Y165 K173 R179 L180 Q181	Y165-D177 WeakPolarHBondContact CE2-OD1 3.46Å; K173-D177 WeakPolarHBondContact O-CB 3.32Å; K173-D177 PolarHBondContact O-N 3.47Å; D177-R179 VanDerWaalsContact C-N 3.31Å; D177-R179 PolarHBondContact O-N 2.89Å; D177-L180 PolarHBondContact O-N 3.41Å; D177-Q181 WeakPolarHBondContact O-CB 3.44Å; D177-Q181 PolarHBondContact O-N 3.43Å
178	R	98.4	Very high	98.1	Very high	153 Å²	153	75 Å²	75	58%	0.577	36%	0.356	S	S	*	.	H	α-helix	trans	-61.8	-38.8	177.3	-77	-170.7	-57.2	-87.8	9.2	112.4	E174 I175 I176 M182	E174-R178 WeakPolarHBondContact O-CG 3.47Å; E174-R178 PolarHBondContact O-N 3.18Å; E174-R178 PolarHBondContact O-NH1 3.41Å; I175-R178 VanDerWaalsContact CG1-NH2 3.27Å; I175-R178 PolarHBondContact O-N 3.41Å; I176-R178 VanDerWaalsContact C-N 3.31Å; I176-R178 PolarHBondContact O-N 3.07Å; R178-M182 WeakPolarHBondContact O-CB 3.25Å; R178-M182 PolarHBondContact O-N 2.98Å
179	R	98.2	Very high	98	Very high	72 Å²	72	76.5 Å²	76.5	27%	0.272	37%	0.365	S	S	.	.	H	α-helix	trans	-72	-45.8	177	-169.4	-172.5	-179.3	129.7	-4.7	110.9	Y137 D138 I175 I176 D177 Q181 M182 R183	Y137-R179 HydrophobicContact CD2-CG 4.5Å; Y137-R179 HydrophobicContact CE2-CB 3.75Å; Y137-R179 VanDerWaalsContact CE2-CD 3.41Å; Y137-R179 HydrophobicContact CE2-CG 4.04Å; Y137-R179 PolarHBondContact O-NE 3.28Å; D138-R179 IonicContact OD1-CZ 2.67Å; D138-R179 IonicContact OD1-NE 2.65Å; D138-R179 IonicContact OD1-NH2 2.7Å; D138-R179 PolarHBondContact OD1-NH2 3.4Å; I175-R179 PolarHBondContact O-N 2.94Å; I176-R179 PolarHBondContact O-N 3.45Å; D177-R179 VanDerWaalsContact C-N 3.31Å; D177-R179 PolarHBondContact O-N 2.89Å; R179-Q181 VanDerWaalsContact C-N 3.32Å; R179-Q181 PolarHBondContact O-N 3.45Å; R179-M182 WeakPolarHBondContact O-CB 3.4Å; R179-M182 PolarHBondContact O-N 3.34Å; R179-M182 VanDerWaalsContact O-N 3.12Å; R179-R183 WeakPolarHBondContact O-CG 3.4Å; R179-R183 PolarHBondContact O-N 3.48Å
180	L	98.4	Very high	97.8	Very high	37 Å²	37	73.5 Å²	73.5	19%	0.194	35%	0.346	C	S	.	.	H	α-helix	trans	-57.9	-46.5	176.9	-68.1	178.3	0	0	0	111	I135 Y137 I161 I176 D177 M182 R183 T184	I135-L180 HydrophobicContact CG2-CD1 4.04Å; I135-L180 HydrophobicContact CG2-CD2 3.84Å; Y137-L180 HydrophobicContact CD2-CD2 3.87Å; Y137-L180 HydrophobicContact CD2-CG 4.31Å; Y137-L180 HydrophobicContact CE2-CG 4.47Å; I161-L180 HydrophobicContact CG2-CD2 4.48Å; I176-L180 HydrophobicContact CG2-CD1 3.78Å; I176-L180 HydrophobicContact CG2-CG 4.14Å; I176-L180 WeakPolarHBondContact O-CG 3.34Å; I176-L180 PolarHBondContact O-N 2.95Å; D177-L180 PolarHBondContact O-N 3.41Å; L180-M182 VanDerWaalsContact C-N 3.32Å; L180-M182 PolarHBondContact O-N 2.94Å; L180-R183 PolarHBondContact O-N 3.1Å; L180-R183 VanDerWaalsContact O-N 3.11Å; L180-T184 PolarHBondContact O-N 2.86Å; L180-T184 PolarHBondContact O-OG1 2.76Å
181	Q	98.4	Very high	97.6	Very high	107 Å²	107	66.3 Å²	66.3	50%	0.5	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-39.2	176	-170.4	65.6	63.5	0	0	112.1	D177 R179 R183 T184 N185	D177-Q181 WeakPolarHBondContact O-CB 3.44Å; D177-Q181 PolarHBondContact O-N 3.43Å; R179-Q181 VanDerWaalsContact C-N 3.32Å; R179-Q181 PolarHBondContact O-N 3.45Å; Q181-R183 VanDerWaalsContact C-N 3.33Å; Q181-R183 PolarHBondContact O-N 3.06Å; Q181-T184 PolarHBondContact O-N 3.44Å; Q181-N185 PolarHBondContact NE2-OD1 2.93Å; Q181-N185 VanDerWaalsContact O-CB 3.25Å; Q181-N185 WeakPolarHBondContact O-CB 3.34Å; Q181-N185 PolarHBondContact O-N 3.43Å; Q181-N185 PolarHBondContact O-ND2 2.76Å; Q181-N185 PolarHBondContact O-OD1 2.8Å
182	M	98.3	Very high	97.3	Very high	118 Å²	118	64.3 Å²	64.3	58%	0.581	31%	0.311	S	S	*	.	H	α-helix	trans	-61	-41.7	174.8	179.3	-175	-83.7	0	0	111.7	R178 R179 L180 N185 D186	R178-M182 WeakPolarHBondContact O-CB 3.25Å; R178-M182 PolarHBondContact O-N 2.98Å; R179-M182 WeakPolarHBondContact O-CB 3.4Å; R179-M182 PolarHBondContact O-N 3.34Å; R179-M182 VanDerWaalsContact O-N 3.12Å; L180-M182 VanDerWaalsContact C-N 3.32Å; L180-M182 PolarHBondContact O-N 2.94Å; M182-N185 PolarHBondContact O-N 3.11Å; M182-D186 PolarHBondContact O-N 3.19Å; M182-D186 VanDerWaalsContact O-N 3.17Å
183	R	98	Very high	96.8	Very high	48 Å²	48	68.8 Å²	68.8	18%	0.181	32%	0.323	C	S	.	.	H	α-helix	trans	-68.6	-41.8	178.3	-62.7	-65.8	172.4	-96.8	8.5	112.3	D138 R179 L180 Q181 D186 F187	D138-R183 IonicContact OD1-CZ 2.84Å; D138-R183 IonicContact OD1-NE 2.74Å; D138-R183 PolarHBondContact OD1-NE 3.01Å; D138-R183 IonicContact OD1-NH2 2.91Å; D138-R183 PolarHBondContact OD1-NH2 2.88Å; D138-R183 IonicContact OD2-NE 3.7Å; R179-R183 WeakPolarHBondContact O-CG 3.4Å; R179-R183 PolarHBondContact O-N 3.48Å; L180-R183 PolarHBondContact O-N 3.1Å; L180-R183 VanDerWaalsContact O-N 3.11Å; Q181-R183 VanDerWaalsContact C-N 3.33Å; Q181-R183 PolarHBondContact O-N 3.06Å; R183-D186 WeakPolarHBondContact O-CB 3.35Å; R183-D186 PolarHBondContact O-N 3.3Å; R183-F187 PolarHBondContact O-N 3.36Å
184	T	98.1	Very high	96	Very high	40 Å²	40	67.3 Å²	67.3	25%	0.245	32%	0.317	C	S	.	.	H	α-helix	trans	-66.9	-38.6	174.3	-62.2	0	0	0	0	112.1	Y122 L180 Q181 D186 F187 Y188	Y122-T184 PolarHBondContact OH-OG1 3.05Å; L180-T184 PolarHBondContact O-N 2.86Å; L180-T184 PolarHBondContact O-OG1 2.76Å; Q181-T184 PolarHBondContact O-N 3.44Å; T184-D186 VanDerWaalsContact C-N 3.27Å; T184-D186 PolarHBondContact O-N 3.33Å; T184-F187 PolarHBondContact O-N 3.21Å; T184-Y188 HydrophobicContact CG2-CD2 3.61Å; T184-Y188 HydrophobicContact CG2-CE2 3.65Å; T184-Y188 WeakPolarHBondContact O-CD2 3.23Å; T184-Y188 PolarHBondContact O-N 2.96Å
185	N	98	Very high	95.2	Very high	79 Å²	79	70.7 Å²	70.7	42%	0.422	33%	0.327	S	S	.	.	H	α-helix	trans	-63.6	-32.6	176.3	-74.1	-5.7	0	0	0	112.6	Q181 M182 S189	Q181-N185 PolarHBondContact NE2-OD1 2.93Å; Q181-N185 VanDerWaalsContact O-CB 3.25Å; Q181-N185 WeakPolarHBondContact O-CB 3.34Å; Q181-N185 PolarHBondContact O-N 3.43Å; Q181-N185 PolarHBondContact O-ND2 2.76Å; Q181-N185 PolarHBondContact O-OD1 2.8Å; M182-N185 PolarHBondContact O-N 3.11Å; N185-S189 VanDerWaalsContact O-CB 3.27Å; N185-S189 WeakPolarHBondContact O-CB 3.26Å; N185-S189 PolarHBondContact O-N 2.96Å; N185-S189 PolarHBondContact O-OG 3.06Å
186	D	98	Very high	94.4	Very high	62 Å²	62	76.8 Å²	76.8	33%	0.332	36%	0.359	S	S	.	.	H	α-helix	trans	-60.1	-49.2	173.8	-177.7	70	0	0	0	111	N140 T141 M182 R183 T184 S189 L190	N140-D186 HydrophobicContact CB-CB 4.44Å; N140-D186 WeakPolarHBondContact CB-OD2 3.33Å; T141-D186 VanDerWaalsContact CB-OD2 3.3Å; T141-D186 WeakPolarHBondContact CB-OD2 3.47Å; T141-D186 VanDerWaalsContact CG2-OD2 3.27Å; T141-D186 WeakPolarHBondContact CG2-OD2 3.39Å; T141-D186 PolarHBondContact N-OD2 2.9Å; T141-D186 PolarHBondContact OG1-OD2 3.03Å; M182-D186 PolarHBondContact O-N 3.19Å; M182-D186 VanDerWaalsContact O-N 3.17Å; R183-D186 WeakPolarHBondContact O-CB 3.35Å; R183-D186 PolarHBondContact O-N 3.3Å; T184-D186 VanDerWaalsContact C-N 3.27Å; T184-D186 PolarHBondContact O-N 3.33Å; D186-S189 WeakPolarHBondContact O-CB 3.4Å; D186-S189 PolarHBondContact O-N 2.99Å; D186-L190 PolarHBondContact O-N 3.48Å
187	F	98	Very high	94.2	Very high	0 Å²	0	80 Å²	80	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-59.7	-49.2	174.7	177.7	-100.6	0	0	0	113	L106 I118 E119 Y122 M144 R183 T184 S189 L190 L191	L106-F187 HydrophobicContact CD1-CD2 4.04Å; L106-F187 HydrophobicContact CD1-CE2 3.92Å; I118-F187 HydrophobicContact CG1-CE2 4.09Å; I118-F187 HydrophobicContact CG1-CZ 4.28Å; I118-F187 HydrophobicContact CG2-CZ 4.48Å; E119-F187 HydrophobicContact CG-CE1 4.49Å; Y122-F187 AromaticContact CD1-CD1 3.58Å; Y122-F187 HydrophobicContact CD1-CD1 3.58Å; Y122-F187 AromaticContact CD1-CE1 3.46Å; Y122-F187 HydrophobicContact CD1-CE1 3.46Å; Y122-F187 VanDerWaalsContact CD1-CE1 3.46Å; Y122-F187 HydrophobicContact CD1-CG 4.26Å; Y122-F187 HydrophobicContact CD1-CZ 4.06Å; Y122-F187 HydrophobicContact CD2-CD1 4.29Å; Y122-F187 HydrophobicContact CD2-CD2 4.15Å; Y122-F187 HydrophobicContact CD2-CE1 4.4Å; Y122-F187 HydrophobicContact CD2-CE2 4.27Å; Y122-F187 HydrophobicContact CD2-CG 4.15Å; Y122-F187 HydrophobicContact CD2-CZ 4.41Å; Y122-F187 AromaticContact CE1-CD1 3.77Å; Y122-F187 HydrophobicContact CE1-CD1 3.77Å; Y122-F187 HydrophobicContact CE1-CE1 4.13Å; Y122-F187 HydrophobicContact CE1-CG 4.33Å; Y122-F187 HydrophobicContact CE2-CB 4.45Å; Y122-F187 HydrophobicContact CE2-CD1 4.44Å; Y122-F187 HydrophobicContact CE2-CG 4.23Å; Y122-F187 AromaticContact CG-CD1 3.85Å; Y122-F187 HydrophobicContact CG-CD1 3.85Å; Y122-F187 HydrophobicContact CG-CD2 4.23Å; Y122-F187 AromaticContact CG-CE1 3.61Å; Y122-F187 HydrophobicContact CG-CE1 3.61Å; Y122-F187 HydrophobicContact CG-CE2 4.03Å; Y122-F187 HydrophobicContact CG-CG 4.15Å; Y122-F187 AromaticContact CG-CZ 3.72Å; Y122-F187 HydrophobicContact CG-CZ 3.72Å; M144-F187 HydrophobicContact CE-CB 4.4Å; M144-F187 HydrophobicContact CE-CD2 3.88Å; M144-F187 HydrophobicContact CE-CG 4.48Å; R183-F187 PolarHBondContact O-N 3.36Å; T184-F187 PolarHBondContact O-N 3.21Å; F187-S189 PolarHBondContact O-N 3.42Å; F187-L190 WeakPolarHBondContact O-CB 3.38Å; F187-L190 PolarHBondContact O-N 3.22Å; F187-L190 VanDerWaalsContact O-N 3.13Å; F187-L191 HydrophobicContact CD1-CD1 4.05Å; F187-L191 HydrophobicContact CE1-CD1 3.4Å; F187-L191 VanDerWaalsContact CE1-CD1 3.4Å; F187-L191 HydrophobicContact CE1-CG 4Å; F187-L191 HydrophobicContact CZ-CD1 3.93Å; F187-L191 HydrophobicContact CZ-CG 4.14Å; F187-L191 PolarHBondContact O-N 3.48Å
188	Y	97.2	Very high	93.9	Very high	76 Å²	76	80.8 Å²	80.8	30%	0.298	38%	0.375	S	S	.	.	H	α-helix	trans	-68	-24.9	179.5	-82.2	-74.6	0	0	0	113.1	E119 Y122 T184 L191 N192	E119-Y188 VanDerWaalsContact OE1-CE1 3.23Å; E119-Y188 WeakPolarHBondContact OE1-CE1 3.5Å; E119-Y188 PolarHBondContact OE1-OH 3.44Å; Y122-Y188 HydrophobicContact CE1-CE2 4.47Å; T184-Y188 HydrophobicContact CG2-CD2 3.61Å; T184-Y188 HydrophobicContact CG2-CE2 3.65Å; T184-Y188 WeakPolarHBondContact O-CD2 3.23Å; T184-Y188 PolarHBondContact O-N 2.96Å; Y188-L191 HydrophobicContact CD1-CD1 3.74Å; Y188-L191 HydrophobicContact CE1-CD1 3.85Å; Y188-L191 PolarHBondContact O-N 3.45Å; Y188-N192 VanDerWaalsContact O-CG 3.28Å; Y188-N192 PolarHBondContact O-N 2.86Å; Y188-N192 PolarHBondContact O-ND2 2.95Å
189	S	95.9	Very high	93.7	Very high	53 Å²	53	76.8 Å²	76.8	37%	0.371	36%	0.364	S	S	.	.	H	α-helix	trans	-68.7	-37.2	172.1	-62.5	0	0	0	0	111.8	N185 D186 F187 R193	N185-S189 VanDerWaalsContact O-CB 3.27Å; N185-S189 WeakPolarHBondContact O-CB 3.26Å; N185-S189 PolarHBondContact O-N 2.96Å; N185-S189 PolarHBondContact O-OG 3.06Å; D186-S189 WeakPolarHBondContact O-CB 3.4Å; D186-S189 PolarHBondContact O-N 2.99Å; F187-S189 PolarHBondContact O-N 3.42Å; S189-R193 WeakPolarHBondContact O-CG 3.41Å; S189-R193 PolarHBondContact O-N 3.45Å
190	L	94.5	Very high	93.4	Very high	19 Å²	19	77.1 Å²	77.1	10%	0.099	37%	0.37	C	S	.	.	H	α-helix	trans	-63.9	-46.6	171.8	-179.9	68.7	0	0	0	111.2	L106 I114 T141 D186 F187 N192 R193 K194	L106-L190 HydrophobicContact CB-CD2 3.83Å; I114-L190 HydrophobicContact CD1-CD1 3.8Å; I114-L190 HydrophobicContact CD1-CD2 3.9Å; I114-L190 HydrophobicContact CD1-CG 3.79Å; T141-L190 HydrophobicContact CG2-CB 4.04Å; T141-L190 HydrophobicContact CG2-CD2 3.71Å; T141-L190 HydrophobicContact CG2-CG 4.49Å; D186-L190 PolarHBondContact O-N 3.48Å; F187-L190 WeakPolarHBondContact O-CB 3.38Å; F187-L190 PolarHBondContact O-N 3.22Å; F187-L190 VanDerWaalsContact O-N 3.13Å; L190-N192 VanDerWaalsContact C-N 3.31Å; L190-N192 PolarHBondContact O-N 2.94Å; L190-R193 WeakPolarHBondContact O-CB 3.42Å; L190-R193 PolarHBondContact O-N 3.4Å; L190-R193 VanDerWaalsContact O-N 3.08Å; L190-K194 PolarHBondContact O-N 3.12Å
191	L	93.6	Very high	93.1	Very high	11 Å²	11	79.6 Å²	79.6	6%	0.058	38%	0.381	C	S	.	.	H	α-helix	trans	-55.5	-44.9	176.3	-82.3	180	0	0	0	112.4	I118 E119 F187 Y188 R193 K194 Y195	I118-L191 HydrophobicContact CG2-CD2 3.36Å; E119-L191 HydrophobicContact CB-CD1 4.01Å; E119-L191 HydrophobicContact CG-CD1 4.17Å; F187-L191 HydrophobicContact CD1-CD1 4.05Å; F187-L191 HydrophobicContact CE1-CD1 3.4Å; F187-L191 VanDerWaalsContact CE1-CD1 3.4Å; F187-L191 HydrophobicContact CE1-CG 4Å; F187-L191 HydrophobicContact CZ-CD1 3.93Å; F187-L191 HydrophobicContact CZ-CG 4.14Å; F187-L191 PolarHBondContact O-N 3.48Å; Y188-L191 HydrophobicContact CD1-CD1 3.74Å; Y188-L191 HydrophobicContact CE1-CD1 3.85Å; Y188-L191 PolarHBondContact O-N 3.45Å; L191-R193 VanDerWaalsContact C-N 3.28Å; L191-R193 PolarHBondContact O-N 3.39Å; L191-K194 WeakPolarHBondContact O-CB 3.35Å; L191-K194 PolarHBondContact O-N 3.24Å; L191-K194 VanDerWaalsContact O-N 3.15Å; L191-Y195 WeakPolarHBondContact O-CD2 3.22Å
192	N	91.3	Very high	92.7	Very high	108 Å²	108	77.8 Å²	77.8	58%	0.578	37%	0.373	S	S	*	.	H	α-helix	trans	-61.5	-36.5	178.4	-71.2	-28.2	0	0	0	112.5	Y188 L190 K194 Y195 L196	Y188-N192 VanDerWaalsContact O-CG 3.28Å; Y188-N192 PolarHBondContact O-N 2.86Å; Y188-N192 PolarHBondContact O-ND2 2.95Å; L190-N192 VanDerWaalsContact C-N 3.31Å; L190-N192 PolarHBondContact O-N 2.94Å; N192-K194 VanDerWaalsContact C-N 3.31Å; N192-K194 PolarHBondContact O-N 3.23Å; N192-Y195 PolarHBondContact O-N 3.18Å; N192-L196 WeakPolarHBondContact O-CG 3.4Å
193	R	87.4	Confident	92.3	Very high	162 Å²	162	74.9 Å²	74.9	61%	0.611	36%	0.358	S	S	*	.	H	α-helix	trans	-68.8	-28.5	177.1	-67.6	174.3	-172.5	173.7	4.5	113	T111 S189 L190 L191 Y195 L196	T111-R193 HydrophobicContact CG2-CB 4.35Å; S189-R193 WeakPolarHBondContact O-CG 3.41Å; S189-R193 PolarHBondContact O-N 3.45Å; L190-R193 WeakPolarHBondContact O-CB 3.42Å; L190-R193 PolarHBondContact O-N 3.4Å; L190-R193 VanDerWaalsContact O-N 3.08Å; L191-R193 VanDerWaalsContact C-N 3.28Å; L191-R193 PolarHBondContact O-N 3.39Å; R193-Y195 PolarHBondContact O-N 2.93Å; R193-L196 PolarHBondContact O-N 3.14Å
194	K	82.2	Confident	91.9	Very high	33 Å²	33	77 Å²	77	14%	0.143	37%	0.371	C	S	.	.	H	α-helix	trans	-62.9	-31.9	174.9	-178.3	-174.8	168.9	172.4	0	112.3	I114 P115 D116 L190 L191 N192	I114-K194 HydrophobicContact CB-CD 4.11Å; I114-K194 HydrophobicContact CG2-CD 3.92Å; I114-K194 WeakPolarHBondContact O-CE 3.03Å; I114-K194 PolarHBondContact O-NZ 3.18Å; P115-K194 PolarHBondContact O-NZ 3.38Å; D116-K194 VanDerWaalsContact CA-NZ 3.3Å; D116-K194 IonicContact OD1-NZ 3.82Å; D116-K194 PolarHBondContact OD1-NZ 3.08Å; L190-K194 PolarHBondContact O-N 3.12Å; L191-K194 WeakPolarHBondContact O-CB 3.35Å; L191-K194 PolarHBondContact O-N 3.24Å; L191-K194 VanDerWaalsContact O-N 3.15Å; N192-K194 VanDerWaalsContact C-N 3.31Å; N192-K194 PolarHBondContact O-N 3.23Å
195	Y	81.2	Confident	91.4	Very high	156 Å²	156	80.1 Å²	80.1	61%	0.612	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	9.8	-176.1	-61.4	-68.8	0	0	0	114.3	L191 N192 R193	L191-Y195 WeakPolarHBondContact O-CD2 3.22Å; N192-Y195 PolarHBondContact O-N 3.18Å; R193-Y195 PolarHBondContact O-N 2.93Å
196	L	79.5	Confident	90.8	Very high	202 Å²	202	80.2 Å²	80.2	100%	1.058	38%	0.378	S	S	*	.			trans	-97.3	0	173	-71.2	175.2	0	0	0	110.9	N192 R193	N192-L196 WeakPolarHBondContact O-CG 3.4Å; R193-L196 PolarHBondContact O-N 3.14Å

Retrieved 196 of 196 residues in 56.2 ms (Link to these results)

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