A0A077Z0I0_TRITR Loading...

DUF59 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0I0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 181 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.9	Very low	60.7	Low	242 Å²	242	133.8 Å²	133.8	100%	1.192	65%	0.645	S	S	*	*				0	98.2	0	-131.3	156.7	80.4	0	0	108	S3	M1-S3 PolarHBondContact O-N 3.42Å
2	V	48.3	Very low	60.8	Low	106 Å²	106	133.4 Å²	133.4	64%	0.642	65%	0.648	S	S	*	*			trans	-70.9	119.4	174.3	177.1	0	0	0	0	106.8	I4 R6 L7	V2-I4 PolarHBondContact O-N 3.46Å; V2-R6 HydrophobicContact CG1-CB 3.92Å; V2-L7 HydrophobicContact CB-CD1 4.49Å; V2-L7 HydrophobicContact CG1-CD1 3.85Å
3	S	59.7	Low	61	Low	69 Å²	69	131.8 Å²	131.8	48%	0.483	64%	0.644	S	S	.	*			trans	-58	137.8	-178.8	176.8	0	0	0	0	110.5	M1 E5 R6 L7	M1-S3 PolarHBondContact O-N 3.42Å; S3-E5 PolarHBondContact O-N 2.92Å; S3-E5 PolarHBondContact OG-N 3.25Å; S3-R6 WeakPolarHBondContact O-CB 3.37Å; S3-R6 PolarHBondContact O-N 3.36Å; S3-L7 PolarHBondContact O-N 3Å
4	I	65.6	Low	60.6	Low	127 Å²	127	128.5 Å²	128.5	65%	0.651	63%	0.629	S	S	*	*	H	α-helix	trans	-49.5	-32.8	175.9	-69.7	169.9	0	0	0	111.1	V2 L7 K8	V2-I4 PolarHBondContact O-N 3.46Å; I4-L7 WeakPolarHBondContact O-CB 3.37Å; I4-L7 PolarHBondContact O-N 3.23Å; I4-K8 WeakPolarHBondContact O-CG 3.42Å; I4-K8 PolarHBondContact O-N 3.34Å
5	E	68.8	Low	59.8	Low	104 Å²	104	130.1 Å²	130.1	49%	0.486	63%	0.627	S	S	.	*	H	α-helix	trans	-64.4	-38.2	175.7	-75.2	-60.3	127.3	0	0	113.6	S3 L7 K8 L9	S3-E5 PolarHBondContact O-N 2.92Å; S3-E5 PolarHBondContact OG-N 3.25Å; E5-L7 VanDerWaalsContact C-N 3.33Å; E5-L7 PolarHBondContact O-N 3.04Å; E5-K8 PolarHBondContact O-N 3.49Å; E5-K8 IonicContact OE1-NZ 2.83Å; E5-K8 PolarHBondContact OE1-NZ 2.86Å; E5-L9 PolarHBondContact O-N 3.46Å
6	R	65.1	Low	59.5	Low	193 Å²	193	125.4 Å²	125.4	73%	0.728	62%	0.616	S	S	*	*	H	α-helix	trans	-67.9	-33.9	173.9	-81.1	-170.6	177.6	-140	1.2	112	V2 S3 L10	V2-R6 HydrophobicContact CG1-CB 3.92Å; S3-R6 WeakPolarHBondContact O-CB 3.37Å; S3-R6 PolarHBondContact O-N 3.36Å; R6-L10 WeakPolarHBondContact O-CB 3.22Å; R6-L10 PolarHBondContact O-N 3.49Å
7	L	55.3	Low	59	Low	111 Å²	111	122.9 Å²	122.9	58%	0.581	61%	0.614	S	S	*	*	H	α-helix	trans	-66.2	-40.5	174	-117	78.7	0	0	0	111.5	V2 S3 I4 E5 R11	V2-L7 HydrophobicContact CB-CD1 4.49Å; V2-L7 HydrophobicContact CG1-CD1 3.85Å; S3-L7 PolarHBondContact O-N 3Å; I4-L7 WeakPolarHBondContact O-CB 3.37Å; I4-L7 PolarHBondContact O-N 3.23Å; E5-L7 VanDerWaalsContact C-N 3.33Å; E5-L7 PolarHBondContact O-N 3.04Å; L7-R11 WeakPolarHBondContact O-CB 3.5Å; L7-R11 PolarHBondContact O-N 3.32Å
8	K	64.8	Low	58.2	Low	117 Å²	117	119.2 Å²	119.2	51%	0.509	60%	0.596	S	S	.	*	H	α-helix	trans	-63.7	-45.7	176	-70.9	177.3	-173.1	167.5	0	112.1	I4 E5 R11 L12	I4-K8 WeakPolarHBondContact O-CG 3.42Å; I4-K8 PolarHBondContact O-N 3.34Å; E5-K8 PolarHBondContact O-N 3.49Å; E5-K8 IonicContact OE1-NZ 2.83Å; E5-K8 PolarHBondContact OE1-NZ 2.86Å; K8-R11 WeakPolarHBondContact O-CB 3.06Å; K8-R11 PolarHBondContact O-N 3.48Å; K8-L12 PolarHBondContact O-N 3.45Å
9	L	67.9	Low	57.5	Low	105 Å²	105	120.5 Å²	120.5	55%	0.55	60%	0.597	S	S	.	*	H	α-helix	trans	-64	-41.9	177.5	-104.5	126.6	0	0	0	112.4	E5 R11 L12 L13	E5-L9 PolarHBondContact O-N 3.46Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 3.06Å; L9-L12 PolarHBondContact O-N 3.04Å; L9-L13 WeakPolarHBondContact O-CG 3.43Å; L9-L13 PolarHBondContact O-N 2.87Å
10	L	63.3	Low	56.9	Low	105 Å²	105	120.3 Å²	120.3	55%	0.55	60%	0.599	S	S	.	*	H	α-helix	trans	-62.9	-40.8	174.8	-165.1	72.8	0	0	0	111	R6 L12 L13 I14	R6-L10 WeakPolarHBondContact O-CB 3.22Å; R6-L10 PolarHBondContact O-N 3.49Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.32Å; L10-L13 PolarHBondContact O-N 3.31Å; L10-I14 HydrophobicContact CG-CD1 4.02Å; L10-I14 WeakPolarHBondContact O-CB 3.37Å; L10-I14 WeakPolarHBondContact O-CD1 3.46Å; L10-I14 WeakPolarHBondContact O-CG1 3.4Å; L10-I14 PolarHBondContact O-N 3Å
11	R	63.1	Low	56.3	Low	193 Å²	193	116.1 Å²	116.1	73%	0.728	58%	0.583	S	S	*	*	H	α-helix	trans	-63.3	-37.9	175.5	-150.1	176.6	-169.6	-175.7	2.7	112	L7 K8 L9 Y15	L7-R11 WeakPolarHBondContact O-CB 3.5Å; L7-R11 PolarHBondContact O-N 3.32Å; K8-R11 WeakPolarHBondContact O-CB 3.06Å; K8-R11 PolarHBondContact O-N 3.48Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 3.06Å; R11-Y15 WeakPolarHBondContact O-CB 3.22Å; R11-Y15 PolarHBondContact O-N 3.28Å
12	L	61.1	Low	56.1	Low	129 Å²	129	107.8 Å²	107.8	68%	0.675	54%	0.541	S	S	*	.	H	α-helix	trans	-71	-41.6	177.7	-147	86.7	0	0	0	112.3	K8 L9 L10 Y15 A16	K8-L12 PolarHBondContact O-N 3.45Å; L9-L12 PolarHBondContact O-N 3.04Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.32Å; L12-Y15 WeakPolarHBondContact O-CB 3.34Å; L12-Y15 PolarHBondContact O-N 3.48Å; L12-A16 PolarHBondContact O-N 3.48Å
13	L	64.5	Low	55.9	Low	113 Å²	113	107 Å²	107	59%	0.592	54%	0.54	S	S	*	.	H	α-helix	trans	-65.7	-39.5	176	-72.7	169.8	0	0	0	111.7	L9 L10 A16 S17	L9-L13 WeakPolarHBondContact O-CG 3.43Å; L9-L13 PolarHBondContact O-N 2.87Å; L10-L13 PolarHBondContact O-N 3.31Å; L13-A16 PolarHBondContact O-N 3.37Å; L13-S17 WeakPolarHBondContact O-CB 3.48Å; L13-S17 PolarHBondContact O-N 2.94Å
14	I	55.1	Low	55.4	Low	85 Å²	85	109 Å²	109	44%	0.436	54%	0.544	S	S	.	.	H	α-helix	trans	-62.4	-45.4	170.7	-69.2	164.8	0	0	0	109.6	L10 A16 S17 L18	L10-I14 HydrophobicContact CG-CD1 4.02Å; L10-I14 WeakPolarHBondContact O-CB 3.37Å; L10-I14 WeakPolarHBondContact O-CD1 3.46Å; L10-I14 WeakPolarHBondContact O-CG1 3.4Å; L10-I14 PolarHBondContact O-N 3Å; I14-A16 PolarHBondContact O-N 3.41Å; I14-S17 PolarHBondContact O-N 2.92Å; I14-L18 HydrophobicContact CG2-CD1 3.45Å; I14-L18 VanDerWaalsContact CG2-CD1 3.45Å; I14-L18 HydrophobicContact CG2-CG 4.08Å; I14-L18 WeakPolarHBondContact O-CB 3.16Å; I14-L18 WeakPolarHBondContact O-CD1 3.36Å; I14-L18 WeakPolarHBondContact O-CG 3.47Å; I14-L18 PolarHBondContact O-N 3.26Å
15	Y	47.9	Very low	55	Low	153 Å²	153	106.6 Å²	106.6	60%	0.6	53%	0.529	S	S	*	.	H	α-helix	trans	-61.6	-39.7	177.9	-133.6	-88.5	0	0	0	113.3	R11 L12 L18 K19	R11-Y15 WeakPolarHBondContact O-CB 3.22Å; R11-Y15 PolarHBondContact O-N 3.28Å; L12-Y15 WeakPolarHBondContact O-CB 3.34Å; L12-Y15 PolarHBondContact O-N 3.48Å; Y15-L18 PolarHBondContact O-N 3.47Å; Y15-K19 PolarHBondContact O-N 3.45Å
16	A	55.9	Low	54.3	Low	55 Å²	55	107.8 Å²	107.8	46%	0.455	54%	0.539	S	S	.	.	H	α-helix	trans	-67.2	-47.3	177	0	0	0	0	0	111.4	L12 L13 I14 L18 K19 D20	L12-A16 PolarHBondContact O-N 3.48Å; L13-A16 PolarHBondContact O-N 3.37Å; I14-A16 PolarHBondContact O-N 3.41Å; A16-L18 PolarHBondContact O-N 2.97Å; A16-K19 PolarHBondContact O-N 2.87Å; A16-D20 PolarHBondContact O-N 3.19Å
17	S	50.8	Low	53.8	Low	82 Å²	82	101.6 Å²	101.6	57%	0.573	54%	0.535	S	S	*	.	H	α-helix	trans	-64.1	-29.4	175.6	-178.3	0	0	0	0	112.9	L13 I14 A21	L13-S17 WeakPolarHBondContact O-CB 3.48Å; L13-S17 PolarHBondContact O-N 2.94Å; I14-S17 PolarHBondContact O-N 2.92Å; S17-A21 PolarHBondContact O-N 2.91Å
18	L	44.7	Very low	54.4	Low	57 Å²	57	101.9 Å²	101.9	30%	0.298	53%	0.529	S	S	.	.	H	α-helix	trans	-76.9	-32.1	177.3	-74.8	171.4	0	0	0	113.5	I14 Y15 A16 D20 A21 F22	I14-L18 HydrophobicContact CG2-CD1 3.45Å; I14-L18 VanDerWaalsContact CG2-CD1 3.45Å; I14-L18 HydrophobicContact CG2-CG 4.08Å; I14-L18 WeakPolarHBondContact O-CB 3.16Å; I14-L18 WeakPolarHBondContact O-CD1 3.36Å; I14-L18 WeakPolarHBondContact O-CG 3.47Å; I14-L18 PolarHBondContact O-N 3.26Å; Y15-L18 PolarHBondContact O-N 3.47Å; A16-L18 PolarHBondContact O-N 2.97Å; L18-D20 VanDerWaalsContact C-N 3.29Å; L18-D20 PolarHBondContact O-N 3.04Å; L18-A21 PolarHBondContact O-N 2.83Å; L18-F22 WeakPolarHBondContact O-CB 3.49Å; L18-F22 PolarHBondContact O-N 2.87Å
19	K	44.5	Very low	54.8	Low	143 Å²	143	105.3 Å²	105.3	62%	0.622	54%	0.544	S	S	*	.	H	α-helix	trans	-63	-38.1	173	-80.9	-173.7	175.2	-174	0	111.6	Y15 A16 F22 S23	Y15-K19 PolarHBondContact O-N 3.45Å; A16-K19 PolarHBondContact O-N 2.87Å; K19-F22 PolarHBondContact O-N 3.01Å; K19-S23 PolarHBondContact O-N 3.21Å; K19-S23 VanDerWaalsContact O-N 3.12Å
20	D	45.2	Very low	55.3	Low	117 Å²	117	102.8 Å²	102.8	63%	0.626	53%	0.533	S	S	*	.	H	α-helix	trans	-68.1	-38.2	176.7	-64	-27.2	0	0	0	111.8	A16 L18 S23 L24	A16-D20 PolarHBondContact O-N 3.19Å; L18-D20 VanDerWaalsContact C-N 3.29Å; L18-D20 PolarHBondContact O-N 3.04Å; D20-S23 PolarHBondContact O-N 3.32Å; D20-L24 PolarHBondContact O-N 2.83Å
21	A	44.6	Very low	56.2	Low	33 Å²	33	101.6 Å²	101.6	27%	0.273	53%	0.525	S	S	.	.	H	α-helix	trans	-68.3	-33.9	173.9	0	0	0	0	0	112.7	S17 L18 L24 F25	S17-A21 PolarHBondContact O-N 2.91Å; L18-A21 PolarHBondContact O-N 2.83Å; A21-L24 WeakPolarHBondContact O-CB 3.14Å; A21-L24 PolarHBondContact O-N 3.26Å; A21-L24 VanDerWaalsContact O-N 3.11Å; A21-F25 WeakPolarHBondContact O-CD2 3.5Å
22	F	42.3	Very low	57.1	Low	67 Å²	67	93.9 Å²	93.9	29%	0.294	50%	0.498	S	S	.	.	H	α-helix	trans	-69	-36.2	178	-152.8	-96.1	0	0	0	111.9	L18 K19 L24 F25 N26 E171	L18-F22 WeakPolarHBondContact O-CB 3.49Å; L18-F22 PolarHBondContact O-N 2.87Å; K19-F22 PolarHBondContact O-N 3.01Å; F22-L24 PolarHBondContact O-N 3.08Å; F22-F25 PolarHBondContact O-N 3.12Å; F22-N26 PolarHBondContact O-N 2.92Å; F22-E171 HydrophobicContact CE2-CG 4.39Å; F22-E171 WeakPolarHBondContact CE2-OE2 3.27Å; F22-E171 HydrophobicContact CZ-CG 4.42Å
23	S	44.4	Very low	58	Low	90 Å²	90	91.9 Å²	91.9	63%	0.629	50%	0.501	S	S	*	.	H	α-helix	trans	-64.4	-24.7	170.1	-170.3	0	0	0	0	113	K19 D20	K19-S23 PolarHBondContact O-N 3.21Å; K19-S23 VanDerWaalsContact O-N 3.12Å; D20-S23 PolarHBondContact O-N 3.32Å
24	L	48.9	Very low	58.9	Low	109 Å²	109	90.4 Å²	90.4	57%	0.571	50%	0.504	S	S	*	.	H	α-helix	trans	-72.4	-24.5	-179.3	-123.6	98.5	0	0	0	113.9	D20 A21 F22 R28	D20-L24 PolarHBondContact O-N 2.83Å; A21-L24 WeakPolarHBondContact O-CB 3.14Å; A21-L24 PolarHBondContact O-N 3.26Å; A21-L24 VanDerWaalsContact O-N 3.11Å; F22-L24 PolarHBondContact O-N 3.08Å; L24-R28 WeakPolarHBondContact O-CG 3.36Å
25	F	56.2	Low	60.3	Low	78 Å²	78	87.7 Å²	87.7	34%	0.342	49%	0.492	S	S	.	.	H	α-helix	trans	-96.8	-37.6	179.2	-70.9	-88.8	0	0	0	112	A21 F22 G27 R28 M113	A21-F25 WeakPolarHBondContact O-CD2 3.5Å; F22-F25 PolarHBondContact O-N 3.12Å; F25-G27 PolarHBondContact O-N 3.08Å; F25-R28 PolarHBondContact O-N 3.12Å; F25-M113 HydrophobicContact CD1-CE 4.03Å; F25-M113 HydrophobicContact CE1-CE 3.92Å
26	N	55	Low	62.1	Low	129 Å²	129	85 Å²	85	69%	0.69	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	11.7	-178.6	-115.1	12.8	0	0	0	115.1	F22	F22-N26 PolarHBondContact O-N 2.92Å
27	G	55.4	Low	63.7	Low	63 Å²	63	86.6 Å²	86.6	65%	0.649	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.7	10.1	174.9	0	0	0	0	0	113.7	F25 K29	F25-G27 PolarHBondContact O-N 3.08Å; G27-K29 PolarHBondContact O-N 3.34Å
28	R	67	Low	65.6	Low	116 Å²	116	87.9 Å²	87.9	44%	0.438	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-67.7	130.3	172.5	-90.4	174	172.1	178.1	-4.8	108.9	L24 F25	L24-R28 WeakPolarHBondContact O-CG 3.36Å; F25-R28 PolarHBondContact O-N 3.12Å
29	K	74.1	Confident	67.7	Low	190 Å²	190	89.9 Å²	89.9	83%	0.826	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-66.1	134.9	166.4	-68.4	-176.5	178.6	-178.4	0	107.2	G27 E31	G27-K29 PolarHBondContact O-N 3.34Å; K29-E31 PolarHBondContact O-N 2.95Å
30	P	76.5	Confident	69.9	Low	51 Å²	51	88.3 Å²	88.3	33%	0.331	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-56.3	130.9	176.8	23.3	-33.1	0	0	0	109	N32 E75	P30-N32 PolarHBondContact O-N 3.43Å; P30-E75 HydrophobicContact CB-CB 4.31Å
31	E	83	Confident	71.9	Confident	81 Å²	81	84.3 Å²	84.3	38%	0.379	49%	0.49	S	S	.	.	S	Bend	trans	-65.5	-31	179.4	-64.6	-179.7	179.9	0	0	111.2	K29 E75 I108 C111 S112	K29-E31 PolarHBondContact O-N 2.95Å; E31-E75 PolarHBondContact N-OE1 3.48Å; E31-I108 HydrophobicContact CB-CD1 3.57Å; E31-C111 WeakPolarHBondContact OE2-CA 3.18Å; E31-S112 WeakPolarHBondContact OE1-CB 3.4Å; E31-S112 PolarHBondContact OE1-OG 2.8Å; E31-S112 PolarHBondContact OE2-N 2.85Å
32	N	81.7	Confident	73.9	Confident	30 Å²	30	87.3 Å²	87.3	16%	0.16	51%	0.509	C	S	.	.	S	Bend	trans	-100.5	86.6	167.6	-173.4	6.2	0	0	0	110.9	P30 A34 H76 T107 I108	P30-N32 PolarHBondContact O-N 3.43Å; N32-A34 PolarHBondContact O-N 2.52Å; N32-A34 VanDerWaalsContact O-N 3.07Å; N32-H76 PolarHBondContact O-CE1 3.29Å; N32-H76 PolarHBondContact O-NE2 3.45Å; N32-H76 VanDerWaalsContact O-NE2 3.12Å; N32-T107 WeakPolarHBondContact ND2-CB 3.49Å; N32-T107 PolarHBondContact ND2-OG1 3.23Å; N32-I108 HydrophobicContact CB-CG2 4.05Å
33	A	79.8	Confident	75.9	Confident	88 Å²	88	92.6 Å²	92.6	73%	0.727	53%	0.532	S	S	*	.	S	Bend	trans	-60.1	-24.2	-173.1	0	0	0	0	0	115.5
34	A	84.7	Confident	77.7	Confident	81 Å²	81	91.7 Å²	91.7	67%	0.669	51%	0.514	S	S	*	.	S	Bend	trans	-141.5	81.5	-178	0	0	0	0	0	110.3	N32	N32-A34 PolarHBondContact O-N 2.52Å; N32-A34 VanDerWaalsContact O-N 3.07Å
35	P	83.5	Confident	79.4	Confident	28 Å²	28	93.3 Å²	93.3	18%	0.182	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-66.8	143.2	-178.2	27	-33.8	0	0	0	111.8	V37 L78 L83	P35-V37 PolarHBondContact O-N 2.84Å; P35-L78 HydrophobicContact CG-CD1 3.92Å; P35-L83 HydrophobicContact CB-CD2 3.43Å; P35-L83 VanDerWaalsContact CB-CD2 3.43Å; P35-L83 HydrophobicContact CG-CD2 3.97Å
36	V	85.8	Confident	80.7	Confident	97 Å²	97	92.7 Å²	92.7	59%	0.588	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-70.5	126.1	166.8	179.9	0	0	0	0	107.9	Y38	V36-Y38 HydrophobicContact CB-CE2 3.98Å; V36-Y38 HydrophobicContact CG1-CD2 4.31Å; V36-Y38 HydrophobicContact CG1-CE1 4.43Å; V36-Y38 HydrophobicContact CG1-CE2 3.78Å; V36-Y38 WeakPolarHBondContact O-CD2 3.43Å; V36-Y38 WeakPolarHBondContact O-CE2 3.3Å
37	V	89.7	Confident	82.2	Confident	88 Å²	88	89.4 Å²	89.4	53%	0.533	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-98.5	125.6	178.3	-174.9	0	0	0	0	109.4	P35 L78 E82	P35-V37 PolarHBondContact O-N 2.84Å; V37-L78 HydrophobicContact CG2-CD1 3.81Å; V37-L78 HydrophobicContact CG2-CD2 4.44Å; V37-E82 CarbonylContact C-O 3.56Å; V37-E82 WeakPolarHBondContact CA-O 3.28Å; V37-E82 HydrophobicContact CG1-CB 4.31Å
38	Y	91	Very high	83.7	Confident	109 Å²	109	95 Å²	95	43%	0.427	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-99.6	152.8	-178.9	-64.7	-96.9	0	0	0	111	V36 E82 N84	V36-Y38 HydrophobicContact CB-CE2 3.98Å; V36-Y38 HydrophobicContact CG1-CD2 4.31Å; V36-Y38 HydrophobicContact CG1-CE1 4.43Å; V36-Y38 HydrophobicContact CG1-CE2 3.78Å; V36-Y38 WeakPolarHBondContact O-CD2 3.43Å; V36-Y38 WeakPolarHBondContact O-CE2 3.3Å; Y38-E82 PolarHBondContact N-O 3.29Å; Y38-N84 HydrophobicContact CD1-CB 4.07Å; Y38-N84 HydrophobicContact CD2-CB 3.39Å; Y38-N84 HydrophobicContact CE1-CB 4.16Å; Y38-N84 HydrophobicContact CE2-CB 3.49Å; Y38-N84 VanDerWaalsContact CE2-CB 3.49Å; Y38-N84 HydrophobicContact CG-CB 3.69Å
39	A	88.5	Confident	84.6	Confident	100 Å²	100	92.5 Å²	92.5	83%	0.826	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-68.3	136.6	174.7	0	0	0	0	0	110.4
40	K	91.2	Very high	85.2	Confident	109 Å²	109	85.7 Å²	85.7	47%	0.474	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-68.2	145.5	173.6	-67.2	-175.7	177.7	163.4	0	110.8	E81 E82	K40-E81 WeakPolarHBondContact CA-OE1 3.49Å; K40-E81 HydrophobicContact CG-CG 4.47Å; K40-E82 HydrophobicContact CD-CG 4.41Å; K40-E82 WeakPolarHBondContact CE-OE1 3.19Å; K40-E82 HydrophobicContact CG-CG 4.15Å; K40-E82 IonicContact NZ-OE1 3.32Å; K40-E82 PolarHBondContact NZ-OE1 3.33Å
41	A	87.4	Confident	85.7	Confident	34 Å²	34	88.9 Å²	88.9	28%	0.281	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-59.3	143.1	167.6	0	0	0	0	0	110.1	F65 R69 E81	A41-F65 HydrophobicContact CB-CE1 4.05Å; A41-R69 PolarHBondContact O-NH2 3.32Å; A41-E81 WeakPolarHBondContact CB-OE1 3.43Å; A41-E81 PolarHBondContact N-OE1 3.3Å
42	S	86.9	Confident	86	Confident	96 Å²	96	88.2 Å²	88.2	67%	0.671	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-57.4	156.6	175.5	55.6	0	0	0	0	111	R62	S42-R62 PolarHBondContact O-NH2 3.47Å
43	K	84.1	Confident	86.4	Confident	177 Å²	177	92.6 Å²	92.6	77%	0.77	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-59.8	139.6	169.7	-166.5	177.4	177.9	-173.4	0	109.2
44	R	81.8	Confident	87	Confident	71 Å²	71	95.4 Å²	95.4	27%	0.268	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-77.1	128.7	173	178.4	-172.3	-178.9	151.4	7.7	107.9	E50 D60	R44-E50 IonicContact CZ-OE1 3.62Å; R44-E50 IonicContact CZ-OE2 3.79Å; R44-E50 IonicContact NE-OE1 3.82Å; R44-E50 IonicContact NE-OE2 3.46Å; R44-E50 PolarHBondContact NE-OE2 3.35Å; R44-E50 VanDerWaalsContact NH2-CD 3.25Å; R44-E50 IonicContact NH2-OE1 2.69Å; R44-E50 PolarHBondContact NH2-OE1 3.32Å; R44-E50 IonicContact NH2-OE2 3.53Å; R44-D60 IonicContact CZ-OD2 3.25Å; R44-D60 VanDerWaalsContact CZ-OD2 3.25Å; R44-D60 IonicContact NH1-OD1 3.11Å; R44-D60 PolarHBondContact NH1-OD1 3.3Å; R44-D60 VanDerWaalsContact NH1-OD1 3.11Å; R44-D60 IonicContact NH1-OD2 2.82Å; R44-D60 PolarHBondContact NH1-OD2 3.04Å; R44-D60 IonicContact NH2-OD2 2.77Å; R44-D60 PolarHBondContact NH2-OD2 3.37Å
45	E	84	Confident	87.2	Confident	143 Å²	143	94.5 Å²	94.5	67%	0.668	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-87.8	131.4	164.6	-64.5	-56.6	134.8	0	0	108
46	P	84.7	Confident	87.4	Confident	66 Å²	66	98.7 Å²	98.7	43%	0.429	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-64.7	141.2	179.9	27.2	-33.3	0	0	0	110.5	E50 L51	P46-E50 VanDerWaalsContact CA-OE2 3.28Å; P46-E50 WeakPolarHBondContact CA-OE2 3.34Å; P46-L51 HydrophobicContact CB-CD2 3.9Å; P46-L51 HydrophobicContact CB-CG 4.11Å; P46-L51 HydrophobicContact CG-CD1 4.29Å; P46-L51 HydrophobicContact CG-CD2 3.98Å; P46-L51 HydrophobicContact CG-CG 4.33Å
47	T	85.2	Confident	87.6	Confident	60 Å²	60	98.3 Å²	98.3	37%	0.368	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-75.8	157.1	175.5	64.2	0	0	0	0	111.1	S49 E50 L51	T47-S49 PolarHBondContact O-N 3.43Å; T47-S49 PolarHBondContact OG1-OG 3.37Å; T47-S49 VanDerWaalsContact OG1-OG 3.04Å; T47-E50 WeakPolarHBondContact CG2-OE1 3.41Å; T47-E50 PolarHBondContact N-OE2 2.98Å; T47-E50 WeakPolarHBondContact O-CB 3.38Å; T47-E50 PolarHBondContact O-N 3.42Å; T47-E50 WeakPolarHBondContact OG1-CG 3.11Å; T47-E50 PolarHBondContact OG1-N 3.01Å; T47-E50 PolarHBondContact OG1-OE1 3.11Å; T47-L51 PolarHBondContact O-N 3.12Å
48	E	87.1	Confident	87.7	Confident	180 Å²	180	97.6 Å²	97.6	84%	0.841	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-36.5	177.2	-67.6	-177.1	168.1	0	0	112	L51 D52	E48-L51 PolarHBondContact O-N 3.32Å; E48-D52 PolarHBondContact O-N 2.68Å
49	S	86.3	Confident	87.8	Confident	63 Å²	63	94.4 Å²	94.4	44%	0.441	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-32.6	175.3	46.3	0	0	0	0	113.9	T47 L51 D52	T47-S49 PolarHBondContact O-N 3.43Å; T47-S49 PolarHBondContact OG1-OG 3.37Å; T47-S49 VanDerWaalsContact OG1-OG 3.04Å; S49-L51 PolarHBondContact O-N 2.94Å; S49-D52 PolarHBondContact O-N 3.24Å
50	E	86.1	Confident	88	Confident	47 Å²	47	91.9 Å²	91.9	22%	0.22	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-25	175.1	-76.3	156.1	-143.4	0	0	112	R44 P46 T47	R44-E50 IonicContact CZ-OE1 3.62Å; R44-E50 IonicContact CZ-OE2 3.79Å; R44-E50 IonicContact NE-OE1 3.82Å; R44-E50 IonicContact NE-OE2 3.46Å; R44-E50 PolarHBondContact NE-OE2 3.35Å; R44-E50 VanDerWaalsContact NH2-CD 3.25Å; R44-E50 IonicContact NH2-OE1 2.69Å; R44-E50 PolarHBondContact NH2-OE1 3.32Å; R44-E50 IonicContact NH2-OE2 3.53Å; P46-E50 VanDerWaalsContact CA-OE2 3.28Å; P46-E50 WeakPolarHBondContact CA-OE2 3.34Å; T47-E50 WeakPolarHBondContact CG2-OE1 3.41Å; T47-E50 PolarHBondContact N-OE2 2.98Å; T47-E50 WeakPolarHBondContact O-CB 3.38Å; T47-E50 PolarHBondContact O-N 3.42Å; T47-E50 WeakPolarHBondContact OG1-CG 3.11Å; T47-E50 PolarHBondContact OG1-N 3.01Å; T47-E50 PolarHBondContact OG1-OE1 3.11Å
51	L	86.9	Confident	88.3	Confident	119 Å²	119	88 Å²	88	62%	0.623	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.9	176.6	-61.9	177.5	0	0	0	112.8	P46 T47 E48 S49 P53	P46-L51 HydrophobicContact CB-CD2 3.9Å; P46-L51 HydrophobicContact CB-CG 4.11Å; P46-L51 HydrophobicContact CG-CD1 4.29Å; P46-L51 HydrophobicContact CG-CD2 3.98Å; P46-L51 HydrophobicContact CG-CG 4.33Å; T47-L51 PolarHBondContact O-N 3.12Å; E48-L51 PolarHBondContact O-N 3.32Å; S49-L51 PolarHBondContact O-N 2.94Å; L51-P53 WeakPolarHBondContact O-CD 3.45Å
52	D	90.5	Very high	88.6	Confident	67 Å²	67	87.7 Å²	87.7	36%	0.358	48%	0.48	S	S	.	.			trans	-86.3	112.5	179.7	-170.9	-19.9	0	0	0	110.5	E48 S49 D54 V55	E48-D52 PolarHBondContact O-N 2.68Å; S49-D52 PolarHBondContact O-N 3.24Å; D52-D54 PolarHBondContact O-N 3.25Å; D52-D54 WeakPolarHBondContact OD1-CB 3.38Å; D52-D54 PolarHBondContact OD1-N 3.17Å; D52-V55 HydrophobicContact CB-CB 4.2Å; D52-V55 HydrophobicContact CB-CG2 3.88Å; D52-V55 PolarHBondContact O-N 3.16Å; D52-V55 VanDerWaalsContact O-N 3.16Å
53	P	89.6	Confident	88.9	Confident	122 Å²	122	86.2 Å²	86.2	79%	0.792	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-17	-178.7	29.4	-36.6	0	0	0	113.9	L51	L51-P53 WeakPolarHBondContact O-CD 3.45Å
54	D	92.6	Very high	89.4	Confident	147 Å²	147	77.8 Å²	77.8	79%	0.786	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.4	179.2	-67.1	-40.9	0	0	0	112.6	D52	D52-D54 PolarHBondContact O-N 3.25Å; D52-D54 WeakPolarHBondContact OD1-CB 3.38Å; D52-D54 PolarHBondContact OD1-N 3.17Å
55	V	89.1	Confident	90.2	Very high	61 Å²	61	74.6 Å²	74.6	37%	0.37	41%	0.414	S	S	.	.	S	Bend	trans	-100.5	123.6	178.6	-179.8	0	0	0	0	109.9	D52 D57	D52-V55 HydrophobicContact CB-CB 4.2Å; D52-V55 HydrophobicContact CB-CG2 3.88Å; D52-V55 PolarHBondContact O-N 3.16Å; D52-V55 VanDerWaalsContact O-N 3.16Å; V55-D57 PolarHBondContact O-N 2.79Å
56	P	87.7	Confident	90.6	Very high	116 Å²	116	70.4 Å²	70.4	75%	0.753	40%	0.396	S	S	*	.			trans	-62.9	124.7	172.6	-22.5	33.5	0	0	0	111.4	P58	P56-P58 VanDerWaalsContact O-CD 3.28Å; P56-P58 WeakPolarHBondContact O-CD 3.46Å
57	D	88.8	Confident	91.1	Very high	90 Å²	90	69.2 Å²	69.2	48%	0.481	39%	0.386	S	S	.	.			trans	-98	100.8	174.4	-174.8	18.9	0	0	0	110.3	V55	V55-D57 PolarHBondContact O-N 2.79Å
58	P	92.3	Very high	91.6	Very high	73 Å²	73	66.3 Å²	66.3	47%	0.474	37%	0.368	S	S	.	.			trans	-77.7	143.4	179.4	32.4	-33.9	0	0	0	111.1	P56 D60 D95	P56-P58 VanDerWaalsContact O-CD 3.28Å; P56-P58 WeakPolarHBondContact O-CD 3.46Å; P58-D60 PolarHBondContact O-N 2.91Å; P58-D95 HydrophobicContact CB-CB 4.16Å
59	F	93.3	Very high	92	Very high	41 Å²	41	59.2 Å²	59.2	18%	0.18	33%	0.334	C	S	.	.			trans	-56.7	130	173.4	-76.2	-100.7	0	0	0	110.7	E63 V93 L129 P130 F133	F59-E63 WeakPolarHBondContact CA-OE2 3.36Å; F59-E63 VanDerWaalsContact CD1-CD 3.4Å; F59-E63 HydrophobicContact CD1-CG 4.45Å; F59-E63 WeakPolarHBondContact CD1-OE1 3.43Å; F59-E63 WeakPolarHBondContact CD1-OE2 3.36Å; F59-E63 WeakPolarHBondContact CE1-OE1 3.36Å; F59-E63 WeakPolarHBondContact CG-OE2 3.5Å; F59-V93 HydrophobicContact CB-CG1 4.16Å; F59-V93 VanDerWaalsContact O-CG1 3.28Å; F59-V93 WeakPolarHBondContact O-CG1 3.4Å; F59-L129 HydrophobicContact CD1-CD2 4.29Å; F59-L129 HydrophobicContact CE1-CD2 4.21Å; F59-P130 HydrophobicContact CE2-CG 4.05Å; F59-P130 HydrophobicContact CZ-CG 3.73Å; F59-F133 HydrophobicContact CB-CE2 4.38Å; F59-F133 HydrophobicContact CB-CZ 3.77Å; F59-F133 HydrophobicContact CD1-CE2 4.21Å; F59-F133 HydrophobicContact CD1-CZ 4.39Å; F59-F133 AromaticContact CD2-CE2 3.68Å; F59-F133 HydrophobicContact CD2-CE2 3.68Å; F59-F133 AromaticContact CD2-CZ 3.79Å; F59-F133 HydrophobicContact CD2-CZ 3.79Å; F59-F133 HydrophobicContact CE1-CE2 4.48Å; F59-F133 AromaticContact CE2-CE2 3.98Å; F59-F133 HydrophobicContact CE2-CE2 3.98Å; F59-F133 AromaticContact CG-CE2 3.81Å; F59-F133 HydrophobicContact CG-CE2 3.81Å; F59-F133 AromaticContact CG-CZ 3.71Å; F59-F133 HydrophobicContact CG-CZ 3.71Å; F59-F133 HydrophobicContact CZ-CE2 4.38Å
60	D	93	Very high	92.4	Very high	47 Å²	47	58.2 Å²	58.2	25%	0.251	33%	0.327	S	S	.	.			trans	-116.1	172.8	177.9	66.2	27.1	0	0	0	112.3	R44 P58 R62 E63 V64	R44-D60 IonicContact CZ-OD2 3.25Å; R44-D60 VanDerWaalsContact CZ-OD2 3.25Å; R44-D60 IonicContact NH1-OD1 3.11Å; R44-D60 PolarHBondContact NH1-OD1 3.3Å; R44-D60 VanDerWaalsContact NH1-OD1 3.11Å; R44-D60 IonicContact NH1-OD2 2.82Å; R44-D60 PolarHBondContact NH1-OD2 3.04Å; R44-D60 IonicContact NH2-OD2 2.77Å; R44-D60 PolarHBondContact NH2-OD2 3.37Å; P58-D60 PolarHBondContact O-N 2.91Å; D60-R62 PolarHBondContact O-N 2.89Å; D60-R62 WeakPolarHBondContact OD1-CA 3.4Å; D60-R62 WeakPolarHBondContact OD1-CB 3.16Å; D60-R62 PolarHBondContact OD1-N 3.36Å; D60-E63 PolarHBondContact O-N 3.21Å; D60-E63 WeakPolarHBondContact OD1-CB 3.22Å; D60-E63 PolarHBondContact OD1-N 3.15Å; D60-V64 PolarHBondContact O-N 3.19Å
61	A	96.4	Very high	92.8	Very high	28 Å²	28	56.1 Å²	56.1	23%	0.231	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-30.7	178.3	0	0	0	0	0	112.2	F65 V91	A61-F65 VanDerWaalsContact O-CB 3.29Å; A61-F65 WeakPolarHBondContact O-CB 3.18Å; A61-F65 PolarHBondContact O-N 3.32Å; A61-V91 HydrophobicContact CB-CB 4.25Å; A61-V91 HydrophobicContact CB-CG1 4.15Å; A61-V91 VanDerWaalsContact CB-O 3.3Å; A61-V91 WeakPolarHBondContact CB-O 3.44Å; A61-V91 WeakPolarHBondContact O-CG1 3.45Å
62	R	94	Very high	93.1	Very high	28 Å²	28	51.2 Å²	51.2	11%	0.106	29%	0.292	C	S	.	.	H	α-helix	trans	-70.9	-45.3	-176.9	175	57.4	-175.1	-121.2	-5.9	111.6	S42 D60 V64 F65 D66 E88	S42-R62 PolarHBondContact O-NH2 3.47Å; D60-R62 PolarHBondContact O-N 2.89Å; D60-R62 WeakPolarHBondContact OD1-CA 3.4Å; D60-R62 WeakPolarHBondContact OD1-CB 3.16Å; D60-R62 PolarHBondContact OD1-N 3.36Å; R62-V64 PolarHBondContact O-N 2.97Å; R62-F65 WeakPolarHBondContact O-CB 3.44Å; R62-F65 PolarHBondContact O-N 2.85Å; R62-D66 IonicContact CZ-OD1 3.9Å; R62-D66 IonicContact CZ-OD2 3.86Å; R62-D66 IonicContact NE-OD1 3.36Å; R62-D66 PolarHBondContact NE-OD1 3.19Å; R62-D66 IonicContact NE-OD2 2.93Å; R62-D66 PolarHBondContact NE-OD2 3.31Å; R62-D66 IonicContact NH2-OD1 3.75Å; R62-D66 IonicContact NH2-OD2 3.83Å; R62-D66 WeakPolarHBondContact O-CB 3.48Å; R62-D66 PolarHBondContact O-N 3.49Å; R62-E88 VanDerWaalsContact CD-OE2 3.28Å; R62-E88 WeakPolarHBondContact CD-OE2 3.43Å; R62-E88 IonicContact CZ-OE2 3.9Å; R62-E88 IonicContact NE-OE2 3.98Å; R62-E88 IonicContact NH1-OE2 3.05Å; R62-E88 PolarHBondContact NH1-OE2 3.44Å
63	E	93.1	Very high	93.2	Very high	64 Å²	64	48.5 Å²	48.5	30%	0.299	28%	0.277	S	S	.	.	H	α-helix	trans	-59.4	-47.6	176	-171.3	-172.9	172.6	0	0	110.7	F59 D60 F65 D66 L67	F59-E63 WeakPolarHBondContact CA-OE2 3.36Å; F59-E63 VanDerWaalsContact CD1-CD 3.4Å; F59-E63 HydrophobicContact CD1-CG 4.45Å; F59-E63 WeakPolarHBondContact CD1-OE1 3.43Å; F59-E63 WeakPolarHBondContact CD1-OE2 3.36Å; F59-E63 WeakPolarHBondContact CE1-OE1 3.36Å; F59-E63 WeakPolarHBondContact CG-OE2 3.5Å; D60-E63 PolarHBondContact O-N 3.21Å; D60-E63 WeakPolarHBondContact OD1-CB 3.22Å; D60-E63 PolarHBondContact OD1-N 3.15Å; E63-F65 VanDerWaalsContact C-N 3.32Å; E63-F65 PolarHBondContact O-N 3.18Å; E63-D66 PolarHBondContact O-N 3.17Å; E63-L67 WeakPolarHBondContact O-CG 3.35Å; E63-L67 PolarHBondContact O-N 3.31Å
64	V	95.9	Very high	93.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-38.6	176.9	174.5	0	0	0	0	111.8	D60 R62 L67 I68 V91 V93 V100 V102 L125 L129	D60-V64 PolarHBondContact O-N 3.19Å; R62-V64 PolarHBondContact O-N 2.97Å; V64-L67 WeakPolarHBondContact O-CB 3.45Å; V64-L67 PolarHBondContact O-N 3.36Å; V64-I68 WeakPolarHBondContact O-CG1 3.36Å; V64-I68 PolarHBondContact O-N 3.04Å; V64-V91 HydrophobicContact CB-CG1 3.65Å; V64-V91 HydrophobicContact CG1-CG1 3.49Å; V64-V91 VanDerWaalsContact CG1-CG1 3.49Å; V64-V93 HydrophobicContact CB-CG2 4.17Å; V64-V93 HydrophobicContact CG2-CG2 3.67Å; V64-V100 HydrophobicContact CG1-CG1 3.82Å; V64-V100 HydrophobicContact CG2-CG1 4.42Å; V64-V100 HydrophobicContact CG2-CG2 4.39Å; V64-V102 HydrophobicContact CG1-CG2 4.26Å; V64-L125 HydrophobicContact CG1-CD2 3.98Å; V64-L129 HydrophobicContact CG2-CD2 4.26Å
65	F	97.1	Very high	92.9	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.022	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-45.8	173.1	173	-109.6	0	0	0	111.7	A41 A61 R62 E63 L67 I68 R69 E81 V86 E88 V91	A41-F65 HydrophobicContact CB-CE1 4.05Å; A61-F65 VanDerWaalsContact O-CB 3.29Å; A61-F65 WeakPolarHBondContact O-CB 3.18Å; A61-F65 PolarHBondContact O-N 3.32Å; R62-F65 WeakPolarHBondContact O-CB 3.44Å; R62-F65 PolarHBondContact O-N 2.85Å; E63-F65 VanDerWaalsContact C-N 3.32Å; E63-F65 PolarHBondContact O-N 3.18Å; F65-L67 PolarHBondContact O-N 3.13Å; F65-I68 WeakPolarHBondContact O-CG1 3.48Å; F65-I68 PolarHBondContact O-N 3.19Å; F65-R69 HydrophobicContact CD1-CB 4.49Å; F65-R69 HydrophobicContact CD2-CB 4.25Å; F65-R69 HydrophobicContact CE1-CB 4.1Å; F65-R69 HydrophobicContact CE2-CB 3.83Å; F65-R69 HydrophobicContact CZ-CB 3.76Å; F65-R69 VanDerWaalsContact O-CB 3.29Å; F65-R69 WeakPolarHBondContact O-CB 3.5Å; F65-R69 WeakPolarHBondContact O-CG 3.41Å; F65-R69 PolarHBondContact O-N 3.44Å; F65-E81 HydrophobicContact CZ-CB 4.4Å; F65-E81 HydrophobicContact CZ-CG 4Å; F65-V86 HydrophobicContact CE2-CG2 4.2Å; F65-E88 HydrophobicContact CB-CB 4.27Å; F65-E88 HydrophobicContact CB-CG 4.37Å; F65-E88 HydrophobicContact CD1-CB 4.06Å; F65-E88 HydrophobicContact CD2-CB 4.38Å; F65-E88 HydrophobicContact CG-CB 3.97Å; F65-V91 HydrophobicContact CB-CG2 4.26Å
66	D	93.5	Very high	92.7	Very high	54 Å²	54	37.8 Å²	37.8	29%	0.289	21%	0.211	S	C	.	.	H	α-helix	trans	-61.8	-29.2	178.3	-75.5	-30.9	0	0	0	112.3	R62 E63 R69	R62-D66 IonicContact CZ-OD1 3.9Å; R62-D66 IonicContact CZ-OD2 3.86Å; R62-D66 IonicContact NE-OD1 3.36Å; R62-D66 PolarHBondContact NE-OD1 3.19Å; R62-D66 IonicContact NE-OD2 2.93Å; R62-D66 PolarHBondContact NE-OD2 3.31Å; R62-D66 IonicContact NH2-OD1 3.75Å; R62-D66 IonicContact NH2-OD2 3.83Å; R62-D66 WeakPolarHBondContact O-CB 3.48Å; R62-D66 PolarHBondContact O-N 3.49Å; E63-D66 PolarHBondContact O-N 3.17Å; D66-R69 WeakPolarHBondContact OD1-CD 3.35Å; D66-R69 IonicContact OD1-CZ 3.01Å; D66-R69 IonicContact OD1-NE 3.37Å; D66-R69 IonicContact OD1-NH1 2.86Å; D66-R69 PolarHBondContact OD1-NH1 3.17Å
67	L	94.1	Very high	92.7	Very high	41 Å²	41	37.2 Å²	37.2	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-68.3	-36	171.9	-66.7	172.6	0	0	0	113.5	E63 V64 F65 K124 T128 L129	E63-L67 WeakPolarHBondContact O-CG 3.35Å; E63-L67 PolarHBondContact O-N 3.31Å; V64-L67 WeakPolarHBondContact O-CB 3.45Å; V64-L67 PolarHBondContact O-N 3.36Å; F65-L67 PolarHBondContact O-N 3.13Å; L67-K124 WeakPolarHBondContact O-CE 3.47Å; L67-K124 WeakPolarHBondContact O-CG 3.39Å; L67-T128 HydrophobicContact CD2-CG2 4.09Å; L67-L129 HydrophobicContact CD1-CD2 4Å
68	I	96.2	Very high	92.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-103.8	-20.4	-171.7	66.4	177.5	0	0	0	114.2	V64 F65 S70 I71 V86 V91 V102 I121 K124 L125	V64-I68 WeakPolarHBondContact O-CG1 3.36Å; V64-I68 PolarHBondContact O-N 3.04Å; F65-I68 WeakPolarHBondContact O-CG1 3.48Å; F65-I68 PolarHBondContact O-N 3.19Å; I68-S70 PolarHBondContact O-N 3.35Å; I68-I71 HydrophobicContact CB-CD1 3.99Å; I68-I71 HydrophobicContact CG2-CD1 4.29Å; I68-I71 WeakPolarHBondContact O-CB 3.4Å; I68-I71 VanDerWaalsContact O-CG1 3.25Å; I68-I71 WeakPolarHBondContact O-CG1 3.4Å; I68-I71 PolarHBondContact O-N 2.95Å; I68-V86 HydrophobicContact CD1-CB 4.15Å; I68-V86 HydrophobicContact CD1-CG1 4.06Å; I68-V86 HydrophobicContact CG1-CB 4.45Å; I68-V86 HydrophobicContact CG1-CG2 4.35Å; I68-V91 HydrophobicContact CD1-CG2 4.07Å; I68-V102 HydrophobicContact CD1-CG1 3.59Å; I68-V102 HydrophobicContact CD1-CG2 4.24Å; I68-I121 HydrophobicContact CG2-CG2 4.3Å; I68-K124 HydrophobicContact CG2-CG 4.37Å; I68-L125 HydrophobicContact CG2-CD2 3.71Å; I68-L125 HydrophobicContact CG2-CG 4.17Å
69	R	95.3	Very high	93	Very high	30 Å²	30	31.9 Å²	31.9	11%	0.113	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.6	-176.4	68.1	-175.1	-70.7	-172.9	-3.6	114.1	A41 F65 D66 T79 E81	A41-R69 PolarHBondContact O-NH2 3.32Å; F65-R69 HydrophobicContact CD1-CB 4.49Å; F65-R69 HydrophobicContact CD2-CB 4.25Å; F65-R69 HydrophobicContact CE1-CB 4.1Å; F65-R69 HydrophobicContact CE2-CB 3.83Å; F65-R69 HydrophobicContact CZ-CB 3.76Å; F65-R69 VanDerWaalsContact O-CB 3.29Å; F65-R69 WeakPolarHBondContact O-CB 3.5Å; F65-R69 WeakPolarHBondContact O-CG 3.41Å; F65-R69 PolarHBondContact O-N 3.44Å; D66-R69 WeakPolarHBondContact OD1-CD 3.35Å; D66-R69 IonicContact OD1-CZ 3.01Å; D66-R69 IonicContact OD1-NE 3.37Å; D66-R69 IonicContact OD1-NH1 2.86Å; D66-R69 PolarHBondContact OD1-NH1 3.17Å; R69-T79 WeakPolarHBondContact O-CB 3.23Å; R69-T79 PolarHBondContact O-OG1 3.09Å; R69-E81 HydrophobicContact CB-CB 3.86Å; R69-E81 IonicContact CZ-OE1 3.99Å; R69-E81 IonicContact CZ-OE2 3.75Å; R69-E81 VanDerWaalsContact NE-CD 3.27Å; R69-E81 IonicContact NE-OE1 2.81Å; R69-E81 PolarHBondContact NE-OE1 3.39Å; R69-E81 IonicContact NE-OE2 3.19Å; R69-E81 PolarHBondContact NE-OE2 2.98Å; R69-E81 IonicContact NH2-OE1 2.66Å; R69-E81 PolarHBondContact NH2-OE1 3.31Å; R69-E81 IonicContact NH2-OE2 3.85Å; R69-E81 PolarHBondContact NH2-OE2 3.09Å; R69-E81 WeakPolarHBondContact O-CB 3.34Å; R69-E81 PolarHBondContact O-N 3.41Å
70	S	94	Very high	93.1	Very high	43 Å²	43	30 Å²	30	30%	0.301	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-2	-177.7	56.9	0	0	0	0	114.1	I68 N72	I68-S70 PolarHBondContact O-N 3.35Å; S70-N72 PolarHBondContact O-N 3.37Å
71	I	95.5	Very high	93.3	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.015	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-60.7	131.8	172.9	-62.8	172.4	0	0	0	108.1	I68 T79 L80 C120 I121 K124 C176 L177	I68-I71 HydrophobicContact CB-CD1 3.99Å; I68-I71 HydrophobicContact CG2-CD1 4.29Å; I68-I71 WeakPolarHBondContact O-CB 3.4Å; I68-I71 VanDerWaalsContact O-CG1 3.25Å; I68-I71 WeakPolarHBondContact O-CG1 3.4Å; I68-I71 PolarHBondContact O-N 2.95Å; I71-T79 CarbonylContact O-C 3.54Å; I71-T79 VanDerWaalsContact O-CA 3.26Å; I71-T79 WeakPolarHBondContact O-CA 3.41Å; I71-L80 HydrophobicContact CB-CD1 3.8Å; I71-L80 HydrophobicContact CB-CG 3.95Å; I71-L80 HydrophobicContact CD1-CD1 4.33Å; I71-L80 HydrophobicContact CG2-CD1 3.73Å; I71-L80 HydrophobicContact CG2-CG 3.96Å; I71-L80 WeakPolarHBondContact O-CG 3.3Å; I71-L80 PolarHBondContact O-N 3.18Å; I71-C120 HydrophobicContact CG2-CB 3.98Å; I71-I121 HydrophobicContact CD1-CG1 4.08Å; I71-K124 HydrophobicContact CD1-CB 3.78Å; I71-K124 HydrophobicContact CD1-CG 4.06Å; I71-K124 HydrophobicContact CG1-CB 4.4Å; I71-K124 HydrophobicContact CG1-CG 4.31Å; I71-C176 HydrophobicContact CG2-CB 4.22Å; I71-L177 HydrophobicContact CD1-CD2 4.1Å; I71-L177 HydrophobicContact CG1-CD2 3.85Å; I71-L177 HydrophobicContact CG2-CD2 4.3Å
72	N	93.6	Very high	93.1	Very high	16 Å²	16	28.7 Å²	28.7	9%	0.086	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-78.9	144	175.6	-56.2	-89.8	0	0	0	110.2	S70 C176 R178	S70-N72 PolarHBondContact O-N 3.37Å; N72-C176 PolarHBondContact N-O 2.94Å; N72-C176 PolarHBondContact ND2-O 3.48Å; N72-C176 WeakPolarHBondContact O-CB 3.37Å; N72-R178 PolarHBondContact ND2-O 3.31Å
73	D	91.3	Very high	93.2	Very high	9 Å²	9	27.7 Å²	27.7	5%	0.048	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-66.5	141.5	168.6	-173.9	-92.1	0	0	0	110.7	E75 H76 L78 L80 L83	D73-E75 VanDerWaalsContact C-N 3.31Å; D73-E75 PolarHBondContact O-N 2.94Å; D73-E75 WeakPolarHBondContact OD1-CA 3.32Å; D73-E75 WeakPolarHBondContact OD1-CB 3.22Å; D73-E75 PolarHBondContact OD1-N 2.93Å; D73-H76 HydrophobicContact CB-CB 4.22Å; D73-H76 VanDerWaalsContact O-O 3.05Å; D73-H76 IonicContact OD1-CD2 3.72Å; D73-H76 PolarHBondContact OD1-CD2 3.01Å; D73-H76 IonicContact OD1-CG 3.54Å; D73-H76 PolarHBondContact OD1-N 3.36Å; D73-L78 WeakPolarHBondContact CB-O 3.49Å; D73-L78 PolarHBondContact N-O 2.93Å; D73-L80 HydrophobicContact CB-CD2 4.35Å; D73-L83 HydrophobicContact CB-CD1 3.49Å; D73-L83 VanDerWaalsContact CB-CD1 3.49Å; D73-L83 VanDerWaalsContact CG-CD1 3.47Å; D73-L83 WeakPolarHBondContact OD2-CD1 3.45Å
74	P	89.6	Confident	93.2	Very high	43 Å²	43	27.9 Å²	27.9	28%	0.279	15%	0.154	S	C	.	.	S	Bend	trans	-71.9	-21	179.4	27.2	-34.9	0	0	0	114	M113 L116 I117	P74-M113 HydrophobicContact CG-CB 3.88Å; P74-M113 HydrophobicContact CG-CG 4.22Å; P74-L116 HydrophobicContact CB-CD2 3.72Å; P74-L116 HydrophobicContact CB-CG 4.5Å; P74-L116 HydrophobicContact CG-CD2 4.18Å; P74-I117 HydrophobicContact CG-CG1 4.07Å
75	E	86.2	Confident	93.3	Very high	42 Å²	42	27.9 Å²	27.9	20%	0.196	15%	0.154	C	C	.	.	S	Bend	trans	-101.4	-29.1	-178.8	-56.5	-166.4	104.7	0	0	112.6	P30 E31 D73 M113	P30-E75 HydrophobicContact CB-CB 4.31Å; E31-E75 PolarHBondContact N-OE1 3.48Å; D73-E75 VanDerWaalsContact C-N 3.31Å; D73-E75 PolarHBondContact O-N 2.94Å; D73-E75 WeakPolarHBondContact OD1-CA 3.32Å; D73-E75 WeakPolarHBondContact OD1-CB 3.22Å; D73-E75 PolarHBondContact OD1-N 2.93Å; E75-M113 HydrophobicContact CG-CB 4.4Å; E75-M113 HydrophobicContact CG-CG 3.69Å
76	H	85	Confident	93.3	Very high	20 Å²	20	27.7 Å²	27.7	9%	0.093	15%	0.154	C	C	.	.	S	Bend	trans	-120.3	149.3	-172.8	-61.5	-68	0	0	0	113.2	N32 D73 L78 L83	N32-H76 PolarHBondContact O-CE1 3.29Å; N32-H76 PolarHBondContact O-NE2 3.45Å; N32-H76 VanDerWaalsContact O-NE2 3.12Å; D73-H76 HydrophobicContact CB-CB 4.22Å; D73-H76 VanDerWaalsContact O-O 3.05Å; D73-H76 IonicContact OD1-CD2 3.72Å; D73-H76 PolarHBondContact OD1-CD2 3.01Å; D73-H76 IonicContact OD1-CG 3.54Å; D73-H76 PolarHBondContact OD1-N 3.36Å; H76-L78 HydrophobicContact CB-CB 4.3Å; H76-L78 HydrophobicContact CB-CD1 4.37Å; H76-L78 HydrophobicContact CB-CG 4.46Å; H76-L78 PolarHBondContact O-N 2.93Å; H76-L83 HydrophobicContact CB-CD1 4.39Å
77	P	88.6	Confident	93.4	Very high	104 Å²	104	26 Å²	26	68%	0.675	15%	0.146	S	C	*	.	S	Bend	trans	-75.6	29.9	173.9	35.3	-37.7	0	0	0	113
78	L	91.9	Very high	93.5	Very high	34 Å²	34	27.6 Å²	27.6	18%	0.178	15%	0.153	C	C	.	.	S	Bend	trans	-116.5	157.4	-175.7	-65.8	167.4	0	0	0	109.9	P35 V37 D73 H76 E82 L83	P35-L78 HydrophobicContact CG-CD1 3.92Å; V37-L78 HydrophobicContact CG2-CD1 3.81Å; V37-L78 HydrophobicContact CG2-CD2 4.44Å; D73-L78 WeakPolarHBondContact CB-O 3.49Å; D73-L78 PolarHBondContact N-O 2.93Å; H76-L78 HydrophobicContact CB-CB 4.3Å; H76-L78 HydrophobicContact CB-CD1 4.37Å; H76-L78 HydrophobicContact CB-CG 4.46Å; H76-L78 PolarHBondContact O-N 2.93Å; L78-E82 VanDerWaalsContact CA-OE2 3.24Å; L78-E82 WeakPolarHBondContact CA-OE2 3.29Å; L78-E82 HydrophobicContact CB-CB 4.21Å; L78-E82 HydrophobicContact CD2-CB 4.34Å; L78-E82 WeakPolarHBondContact CD2-OE2 3.5Å; L78-L83 HydrophobicContact CB-CD1 4.31Å; L78-L83 HydrophobicContact CB-CD2 4.14Å; L78-L83 HydrophobicContact CB-CG 4Å; L78-L83 HydrophobicContact CD1-CD2 3.56Å; L78-L83 HydrophobicContact CD1-CG 4.35Å
79	T	94.8	Very high	93.6	Very high	17 Å²	17	32 Å²	32	10%	0.104	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-82.3	160.2	174.5	76.5	0	0	0	0	111.8	R69 I71 E81 E82 L83	R69-T79 WeakPolarHBondContact O-CB 3.23Å; R69-T79 PolarHBondContact O-OG1 3.09Å; I71-T79 CarbonylContact O-C 3.54Å; I71-T79 VanDerWaalsContact O-CA 3.26Å; I71-T79 WeakPolarHBondContact O-CA 3.41Å; T79-E81 PolarHBondContact O-N 2.92Å; T79-E81 PolarHBondContact OG1-N 2.96Å; T79-E82 PolarHBondContact N-OE2 3.41Å; T79-E82 PolarHBondContact O-N 3.05Å; T79-E82 VanDerWaalsContact O-N 3.1Å; T79-E82 PolarHBondContact OG1-N 3.31Å; T79-L83 PolarHBondContact O-N 2.59Å; T79-L83 VanDerWaalsContact O-N 3.14Å
80	L	96.1	Very high	93.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.4	175.3	-64.2	-169.3	0	0	0	112.1	I71 D73 N84 V85 V86 I117 I121	I71-L80 HydrophobicContact CB-CD1 3.8Å; I71-L80 HydrophobicContact CB-CG 3.95Å; I71-L80 HydrophobicContact CD1-CD1 4.33Å; I71-L80 HydrophobicContact CG2-CD1 3.73Å; I71-L80 HydrophobicContact CG2-CG 3.96Å; I71-L80 WeakPolarHBondContact O-CG 3.3Å; I71-L80 PolarHBondContact O-N 3.18Å; D73-L80 HydrophobicContact CB-CD2 4.35Å; L80-N84 PolarHBondContact O-N 3.06Å; L80-V85 HydrophobicContact CB-CB 4.07Å; L80-V85 HydrophobicContact CB-CG1 4.4Å; L80-V85 HydrophobicContact CD1-CG1 4.42Å; L80-V85 HydrophobicContact CD2-CB 4.12Å; L80-V85 HydrophobicContact CD2-CG1 4Å; L80-V85 HydrophobicContact CD2-CG2 4.41Å; L80-V85 HydrophobicContact CG-CG1 4.5Å; L80-V85 WeakPolarHBondContact O-CA 3.46Å; L80-V85 WeakPolarHBondContact O-CB 3.48Å; L80-V85 PolarHBondContact O-N 2.85Å; L80-V86 HydrophobicContact CB-CG1 4.26Å; L80-V86 HydrophobicContact CB-CG2 3.71Å; L80-V86 HydrophobicContact CD1-CG1 4.16Å; L80-V86 PolarHBondContact O-N 3.14Å; L80-I117 HydrophobicContact CD1-CG2 4.02Å; L80-I117 HydrophobicContact CD2-CG2 4.13Å; L80-I121 HydrophobicContact CD1-CD1 4.15Å; L80-I121 HydrophobicContact CD1-CG1 3.96Å
81	E	96.3	Very high	93.9	Very high	12 Å²	12	30.8 Å²	30.8	6%	0.056	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-46.5	172.3	172.2	-175.4	-148.6	0	0	112.4	K40 A41 F65 R69 T79 L83 N84	K40-E81 WeakPolarHBondContact CA-OE1 3.49Å; K40-E81 HydrophobicContact CG-CG 4.47Å; A41-E81 WeakPolarHBondContact CB-OE1 3.43Å; A41-E81 PolarHBondContact N-OE1 3.3Å; F65-E81 HydrophobicContact CZ-CB 4.4Å; F65-E81 HydrophobicContact CZ-CG 4Å; R69-E81 HydrophobicContact CB-CB 3.86Å; R69-E81 IonicContact CZ-OE1 3.99Å; R69-E81 IonicContact CZ-OE2 3.75Å; R69-E81 VanDerWaalsContact NE-CD 3.27Å; R69-E81 IonicContact NE-OE1 2.81Å; R69-E81 PolarHBondContact NE-OE1 3.39Å; R69-E81 IonicContact NE-OE2 3.19Å; R69-E81 PolarHBondContact NE-OE2 2.98Å; R69-E81 IonicContact NH2-OE1 2.66Å; R69-E81 PolarHBondContact NH2-OE1 3.31Å; R69-E81 IonicContact NH2-OE2 3.85Å; R69-E81 PolarHBondContact NH2-OE2 3.09Å; R69-E81 WeakPolarHBondContact O-CB 3.34Å; R69-E81 PolarHBondContact O-N 3.41Å; T79-E81 PolarHBondContact O-N 2.92Å; T79-E81 PolarHBondContact OG1-N 2.96Å; E81-L83 PolarHBondContact O-N 3.42Å; E81-L83 VanDerWaalsContact O-N 3.1Å; E81-N84 PolarHBondContact O-N 3.48Å
82	E	94.1	Very high	94	Very high	36 Å²	36	35.1 Å²	35.1	17%	0.168	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25	178.9	-74	172.1	153.3	0	0	111.8	V37 Y38 K40 L78 T79	V37-E82 CarbonylContact C-O 3.56Å; V37-E82 WeakPolarHBondContact CA-O 3.28Å; V37-E82 HydrophobicContact CG1-CB 4.31Å; Y38-E82 PolarHBondContact N-O 3.29Å; K40-E82 HydrophobicContact CD-CG 4.41Å; K40-E82 WeakPolarHBondContact CE-OE1 3.19Å; K40-E82 HydrophobicContact CG-CG 4.15Å; K40-E82 IonicContact NZ-OE1 3.32Å; K40-E82 PolarHBondContact NZ-OE1 3.33Å; L78-E82 VanDerWaalsContact CA-OE2 3.24Å; L78-E82 WeakPolarHBondContact CA-OE2 3.29Å; L78-E82 HydrophobicContact CB-CB 4.21Å; L78-E82 HydrophobicContact CD2-CB 4.34Å; L78-E82 WeakPolarHBondContact CD2-OE2 3.5Å; T79-E82 PolarHBondContact N-OE2 3.41Å; T79-E82 PolarHBondContact O-N 3.05Å; T79-E82 VanDerWaalsContact O-N 3.1Å; T79-E82 PolarHBondContact OG1-N 3.31Å
83	L	94.5	Very high	94.2	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.042	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	2.5	176.2	-63.4	-177.7	0	0	0	113.9	P35 D73 H76 L78 T79 E81 V85 T107	P35-L83 HydrophobicContact CB-CD2 3.43Å; P35-L83 VanDerWaalsContact CB-CD2 3.43Å; P35-L83 HydrophobicContact CG-CD2 3.97Å; D73-L83 HydrophobicContact CB-CD1 3.49Å; D73-L83 VanDerWaalsContact CB-CD1 3.49Å; D73-L83 VanDerWaalsContact CG-CD1 3.47Å; D73-L83 WeakPolarHBondContact OD2-CD1 3.45Å; H76-L83 HydrophobicContact CB-CD1 4.39Å; L78-L83 HydrophobicContact CB-CD1 4.31Å; L78-L83 HydrophobicContact CB-CD2 4.14Å; L78-L83 HydrophobicContact CB-CG 4Å; L78-L83 HydrophobicContact CD1-CD2 3.56Å; L78-L83 HydrophobicContact CD1-CG 4.35Å; T79-L83 PolarHBondContact O-N 2.59Å; T79-L83 VanDerWaalsContact O-N 3.14Å; E81-L83 PolarHBondContact O-N 3.42Å; E81-L83 VanDerWaalsContact O-N 3.1Å; L83-V85 HydrophobicContact CB-CG2 3.74Å; L83-V85 PolarHBondContact O-N 2.96Å; L83-V85 VanDerWaalsContact O-N 3.11Å; L83-T107 HydrophobicContact CB-CG2 4Å; L83-T107 HydrophobicContact CD1-CG2 4.24Å
84	N	94.7	Very high	94.5	Very high	67 Å²	67	38.4 Å²	38.4	36%	0.358	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	29.7	-172.6	-169.2	51	0	0	0	113.4	Y38 L80 E81 V86	Y38-N84 HydrophobicContact CD1-CB 4.07Å; Y38-N84 HydrophobicContact CD2-CB 3.39Å; Y38-N84 HydrophobicContact CE1-CB 4.16Å; Y38-N84 HydrophobicContact CE2-CB 3.49Å; Y38-N84 VanDerWaalsContact CE2-CB 3.49Å; Y38-N84 HydrophobicContact CG-CB 3.69Å; L80-N84 PolarHBondContact O-N 3.06Å; E81-N84 PolarHBondContact O-N 3.48Å; N84-V86 VanDerWaalsContact C-N 3.33Å
85	V	96.5	Very high	94.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-73.1	-33.5	173.4	174.3	0	0	0	0	110.2	L80 L83 F104 T105 T107 I117	L80-V85 HydrophobicContact CB-CB 4.07Å; L80-V85 HydrophobicContact CB-CG1 4.4Å; L80-V85 HydrophobicContact CD1-CG1 4.42Å; L80-V85 HydrophobicContact CD2-CB 4.12Å; L80-V85 HydrophobicContact CD2-CG1 4Å; L80-V85 HydrophobicContact CD2-CG2 4.41Å; L80-V85 HydrophobicContact CG-CG1 4.5Å; L80-V85 WeakPolarHBondContact O-CA 3.46Å; L80-V85 WeakPolarHBondContact O-CB 3.48Å; L80-V85 PolarHBondContact O-N 2.85Å; L83-V85 HydrophobicContact CB-CG2 3.74Å; L83-V85 PolarHBondContact O-N 2.96Å; L83-V85 VanDerWaalsContact O-N 3.11Å; V85-F104 HydrophobicContact CG1-CB 4.29Å; V85-F104 HydrophobicContact CG1-CD2 4.22Å; V85-F104 CarbonylContact O-C 3.57Å; V85-F104 WeakPolarHBondContact O-CA 3.3Å; V85-F104 WeakPolarHBondContact O-CB 3.36Å; V85-T105 VanDerWaalsContact CA-O 3.29Å; V85-T105 WeakPolarHBondContact CA-O 3.48Å; V85-T105 PolarHBondContact O-N 2.95Å; V85-T107 HydrophobicContact CG2-CG2 3.73Å; V85-I117 HydrophobicContact CG1-CG2 3.75Å
86	V	97.3	Very high	95.2	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	25%	0.246	C	C	.	.	S	Bend	trans	-125.6	145.5	171.4	-61.9	0	0	0	0	109.8	F65 I68 L80 N84 F104 I121	F65-V86 HydrophobicContact CE2-CG2 4.2Å; I68-V86 HydrophobicContact CD1-CB 4.15Å; I68-V86 HydrophobicContact CD1-CG1 4.06Å; I68-V86 HydrophobicContact CG1-CB 4.45Å; I68-V86 HydrophobicContact CG1-CG2 4.35Å; L80-V86 HydrophobicContact CB-CG1 4.26Å; L80-V86 HydrophobicContact CB-CG2 3.71Å; L80-V86 HydrophobicContact CD1-CG1 4.16Å; L80-V86 PolarHBondContact O-N 3.14Å; N84-V86 VanDerWaalsContact C-N 3.33Å; V86-F104 HydrophobicContact CG1-CB 4.23Å; V86-I121 HydrophobicContact CG1-CD1 3.88Å
87	S	96.4	Very high	95.8	Very high	17 Å²	17	52.5 Å²	52.5	12%	0.119	27%	0.267	C	S	.	.			trans	-144.1	152.7	176.1	66.7	0	0	0	0	110.2	S89 N90	S87-S89 VanDerWaalsContact C-N 3.27Å; S87-S89 PolarHBondContact O-N 3.24Å; S87-S89 PolarHBondContact OG-OG 3.07Å; S87-N90 PolarHBondContact O-N 2.88Å; S87-N90 WeakPolarHBondContact OG-CB 3.43Å; S87-N90 PolarHBondContact OG-ND2 3.37Å
88	E	96.6	Very high	96.1	Very high	76 Å²	76	47.8 Å²	47.8	36%	0.355	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-57.4	-39.9	178.9	-171.6	178.7	153.7	0	0	112.2	R62 F65 N90 V91	R62-E88 VanDerWaalsContact CD-OE2 3.28Å; R62-E88 WeakPolarHBondContact CD-OE2 3.43Å; R62-E88 IonicContact CZ-OE2 3.9Å; R62-E88 IonicContact NE-OE2 3.98Å; R62-E88 IonicContact NH1-OE2 3.05Å; R62-E88 PolarHBondContact NH1-OE2 3.44Å; F65-E88 HydrophobicContact CB-CB 4.27Å; F65-E88 HydrophobicContact CB-CG 4.37Å; F65-E88 HydrophobicContact CD1-CB 4.06Å; F65-E88 HydrophobicContact CD2-CB 4.38Å; F65-E88 HydrophobicContact CG-CB 3.97Å; E88-N90 PolarHBondContact O-N 3.12Å; E88-N90 VanDerWaalsContact O-N 3.15Å; E88-V91 PolarHBondContact O-N 2.95Å
89	S	96.8	Very high	96.4	Very high	91 Å²	91	50.6 Å²	50.6	64%	0.636	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-61.9	-21.1	177.2	55.9	0	0	0	0	114.7	S87	S87-S89 VanDerWaalsContact C-N 3.27Å; S87-S89 PolarHBondContact O-N 3.24Å; S87-S89 PolarHBondContact OG-OG 3.07Å
90	N	97.4	Very high	96.6	Very high	43 Å²	43	49.8 Å²	49.8	23%	0.23	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-97.8	7.3	179.8	-80.7	-35.5	0	0	0	112.5	S87 E88 Y103	S87-N90 PolarHBondContact O-N 2.88Å; S87-N90 WeakPolarHBondContact OG-CB 3.43Å; S87-N90 PolarHBondContact OG-ND2 3.37Å; E88-N90 PolarHBondContact O-N 3.12Å; E88-N90 VanDerWaalsContact O-N 3.15Å; N90-Y103 WeakPolarHBondContact CB-O 3.45Å; N90-Y103 PolarHBondContact O-N 3.5Å
91	V	98.2	Very high	96.7	Very high	5 Å²	5	54 Å²	54	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.7	173.9	-179.7	0	0	0	0	108.6	A61 V64 F65 I68 E88 V93 V102	A61-V91 HydrophobicContact CB-CB 4.25Å; A61-V91 HydrophobicContact CB-CG1 4.15Å; A61-V91 VanDerWaalsContact CB-O 3.3Å; A61-V91 WeakPolarHBondContact CB-O 3.44Å; A61-V91 WeakPolarHBondContact O-CG1 3.45Å; V64-V91 HydrophobicContact CB-CG1 3.65Å; V64-V91 HydrophobicContact CG1-CG1 3.49Å; V64-V91 VanDerWaalsContact CG1-CG1 3.49Å; F65-V91 HydrophobicContact CB-CG2 4.26Å; I68-V91 HydrophobicContact CD1-CG2 4.07Å; E88-V91 PolarHBondContact O-N 2.95Å; V91-V93 HydrophobicContact CG1-CG2 4.11Å; V91-V102 HydrophobicContact CG2-CG2 4.42Å
92	H	98.2	Very high	96.8	Very high	95 Å²	95	53.4 Å²	53.4	44%	0.44	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.1	177.1	-53.2	-75.3	0	0	0	110	V100 K101 Y103	H92-V100 CarbonylContact O-C 3.49Å; H92-V100 WeakPolarHBondContact O-CA 3.47Å; H92-K101 HydrophobicContact CB-CB 4.38Å; H92-K101 PolarHBondContact N-O 2.88Å; H92-K101 PolarHBondContact O-N 2.85Å; H92-Y103 AromaticContact CD2-CD2 3.8Å; H92-Y103 AromaticContact CD2-CE2 3.57Å; H92-Y103 AromaticContact NE2-CD2 3.84Å; H92-Y103 AromaticContact NE2-CE2 3.72Å
93	V	97.9	Very high	97	Very high	38 Å²	38	54.4 Å²	54.4	23%	0.23	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.6	-177.6	-176.7	0	0	0	0	109.4	F59 V64 V91 V100 F133	F59-V93 HydrophobicContact CB-CG1 4.16Å; F59-V93 VanDerWaalsContact O-CG1 3.28Å; F59-V93 WeakPolarHBondContact O-CG1 3.4Å; V64-V93 HydrophobicContact CB-CG2 4.17Å; V64-V93 HydrophobicContact CG2-CG2 3.67Å; V91-V93 HydrophobicContact CG1-CG2 4.11Å; V93-V100 HydrophobicContact CG1-CG2 4.31Å; V93-V100 HydrophobicContact CG2-CG2 4.26Å; V93-F133 HydrophobicContact CG1-CE1 4.35Å
94	D	97.2	Very high	97.2	Very high	55 Å²	55	54 Å²	54	29%	0.294	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	91	164.9	-178.4	-21.2	0	0	0	107	R96 Q97 G98 K99	D94-R96 VanDerWaalsContact C-N 3.31Å; D94-R96 PolarHBondContact O-N 3.26Å; D94-R96 PolarHBondContact OD1-N 3.38Å; D94-Q97 HydrophobicContact CB-CB 4.42Å; D94-Q97 PolarHBondContact O-N 3.16Å; D94-Q97 PolarHBondContact OD1-N 2.97Å; D94-Q97 VanDerWaalsContact OD2-CG 3.29Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.35Å; D94-Q97 PolarHBondContact OD2-NE2 3.15Å; D94-G98 PolarHBondContact O-N 2.87Å; D94-K99 HydrophobicContact CB-CB 4.34Å; D94-K99 PolarHBondContact N-O 2.86Å; D94-K99 PolarHBondContact O-N 3.26Å
95	D	95.5	Very high	97.3	Very high	39 Å²	39	52.8 Å²	52.8	21%	0.209	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-40.9	-176.6	-176.4	54.8	0	0	0	112	P58 Q97 G98 R132 F133	P58-D95 HydrophobicContact CB-CB 4.16Å; D95-Q97 PolarHBondContact O-N 3.44Å; D95-G98 PolarHBondContact O-N 3.46Å; D95-R132 PolarHBondContact O-NH1 2.68Å; D95-R132 IonicContact OD1-CZ 3.83Å; D95-R132 IonicContact OD1-NH1 2.84Å; D95-R132 PolarHBondContact OD1-NH1 3.22Å; D95-R132 IonicContact OD1-NH2 3.21Å; D95-R132 PolarHBondContact OD1-NH2 2.92Å; D95-R132 IonicContact OD2-NH2 2.71Å; D95-F133 WeakPolarHBondContact OD1-CZ 3.41Å
96	R	95.5	Very high	97.1	Very high	245 Å²	245	53 Å²	53	93%	0.925	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-40.9	-179.1	-65.9	-177.1	179.3	-174.8	0.2	112.2	D94 G98	D94-R96 VanDerWaalsContact C-N 3.31Å; D94-R96 PolarHBondContact O-N 3.26Å; D94-R96 PolarHBondContact OD1-N 3.38Å; R96-G98 VanDerWaalsContact C-N 3.34Å
97	Q	96.9	Very high	96.7	Very high	117 Å²	117	54.9 Å²	54.9	55%	0.547	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-3.8	176.2	-64	-174.2	47.9	0	0	113.4	D94 D95 K99	D94-Q97 HydrophobicContact CB-CB 4.42Å; D94-Q97 PolarHBondContact O-N 3.16Å; D94-Q97 PolarHBondContact OD1-N 2.97Å; D94-Q97 VanDerWaalsContact OD2-CG 3.29Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.35Å; D94-Q97 PolarHBondContact OD2-NE2 3.15Å; D95-Q97 PolarHBondContact O-N 3.44Å; Q97-K99 HydrophobicContact CB-CD 4.11Å; Q97-K99 HydrophobicContact CB-CG 4.2Å
98	G	96.6	Very high	96.4	Very high	5 Å²	5	56 Å²	56	5%	0.052	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	47	-174.1	0	0	0	0	0	111.8	D94 D95 R96 F133 K134	D94-G98 PolarHBondContact O-N 2.87Å; D95-G98 PolarHBondContact O-N 3.46Å; R96-G98 VanDerWaalsContact C-N 3.34Å; G98-F133 VanDerWaalsContact C-CD1 3.42Å; G98-F133 CarbonylContact O-C 3.54Å; G98-F133 WeakPolarHBondContact O-CA 3.28Å; G98-K134 PolarHBondContact O-N 3.01Å
99	K	98	Very high	95.9	Very high	93 Å²	93	55.3 Å²	55.3	40%	0.404	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.3	179.7	-68.4	174.9	-178	165.1	0	111.3	D94 Q97 K134	D94-K99 HydrophobicContact CB-CB 4.34Å; D94-K99 PolarHBondContact N-O 2.86Å; D94-K99 PolarHBondContact O-N 3.26Å; Q97-K99 HydrophobicContact CB-CD 4.11Å; Q97-K99 HydrophobicContact CB-CG 4.2Å; K99-K134 CarbonylContact C-O 3.55Å; K99-K134 WeakPolarHBondContact CA-O 3.3Å
100	V	98.2	Very high	95.4	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.1	172.9	175.7	0	0	0	0	108.5	V64 H92 V93 V102 L129 F133 K134 Y135 D136	V64-V100 HydrophobicContact CG1-CG1 3.82Å; V64-V100 HydrophobicContact CG2-CG1 4.42Å; V64-V100 HydrophobicContact CG2-CG2 4.39Å; H92-V100 CarbonylContact O-C 3.49Å; H92-V100 WeakPolarHBondContact O-CA 3.47Å; V93-V100 HydrophobicContact CG1-CG2 4.31Å; V93-V100 HydrophobicContact CG2-CG2 4.26Å; V100-V102 HydrophobicContact CG1-CG2 4.02Å; V100-L129 HydrophobicContact CB-CD1 4.38Å; V100-L129 HydrophobicContact CG2-CD1 3.95Å; V100-F133 HydrophobicContact CG2-CD1 3.64Å; V100-F133 HydrophobicContact CG2-CE1 3.95Å; V100-F133 HydrophobicContact CG2-CG 4.33Å; V100-K134 PolarHBondContact N-O 2.79Å; V100-Y135 CarbonylContact O-C 3.5Å; V100-Y135 VanDerWaalsContact O-CA 3.23Å; V100-Y135 WeakPolarHBondContact O-CA 3.48Å; V100-D136 PolarHBondContact O-N 3.48Å
101	K	98.3	Very high	94.8	Very high	89 Å²	89	53 Å²	53	39%	0.387	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.8	170.9	-62.9	-174.9	177.9	178.4	0	108.8	H92 D136	H92-K101 HydrophobicContact CB-CB 4.38Å; H92-K101 PolarHBondContact N-O 2.88Å; H92-K101 PolarHBondContact O-N 2.85Å; K101-D136 WeakPolarHBondContact CA-O 3.35Å; K101-D136 HydrophobicContact CG-CB 4.32Å
102	V	98.5	Very high	94.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	118.9	177	179.7	0	0	0	0	108.4	V64 I68 V91 V100 I121 L125 D136 V137 I138	V64-V102 HydrophobicContact CG1-CG2 4.26Å; I68-V102 HydrophobicContact CD1-CG1 3.59Å; I68-V102 HydrophobicContact CD1-CG2 4.24Å; V91-V102 HydrophobicContact CG2-CG2 4.42Å; V100-V102 HydrophobicContact CG1-CG2 4.02Å; V102-I121 HydrophobicContact CG1-CG2 4.14Å; V102-L125 HydrophobicContact CG2-CD1 3.99Å; V102-D136 PolarHBondContact N-O 2.76Å; V102-V137 WeakPolarHBondContact O-CA 3.4Å; V102-I138 PolarHBondContact O-N 2.85Å
103	Y	98.5	Very high	93.8	Very high	58 Å²	58	51.7 Å²	51.7	23%	0.227	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.3	166.6	-63.1	-88.9	0	0	0	109.3	N90 H92 I138	N90-Y103 WeakPolarHBondContact CB-O 3.45Å; N90-Y103 PolarHBondContact O-N 3.5Å; H92-Y103 AromaticContact CD2-CD2 3.8Å; H92-Y103 AromaticContact CD2-CE2 3.57Å; H92-Y103 AromaticContact NE2-CD2 3.84Å; H92-Y103 AromaticContact NE2-CE2 3.72Å; Y103-I138 CarbonylContact C-O 3.59Å; Y103-I138 VanDerWaalsContact CA-O 3.28Å; Y103-I138 WeakPolarHBondContact CA-O 3.35Å; Y103-I138 HydrophobicContact CD1-CB 3.83Å; Y103-I138 HydrophobicContact CD1-CG2 3.72Å; Y103-I138 HydrophobicContact CE1-CB 3.91Å; Y103-I138 HydrophobicContact CE1-CD1 4Å; Y103-I138 HydrophobicContact CE1-CG2 3.6Å
104	F	98.1	Very high	93.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.4	175.1	77.2	-82	0	0	0	111	V85 V86 P106 A114 I117 I121 V137 I138 V139 T140 I150 L154	V85-F104 HydrophobicContact CG1-CB 4.29Å; V85-F104 HydrophobicContact CG1-CD2 4.22Å; V85-F104 CarbonylContact O-C 3.57Å; V85-F104 WeakPolarHBondContact O-CA 3.3Å; V85-F104 WeakPolarHBondContact O-CB 3.36Å; V86-F104 HydrophobicContact CG1-CB 4.23Å; F104-P106 HydrophobicContact CD2-CG 4.4Å; F104-P106 HydrophobicContact CE2-CG 4.07Å; F104-A114 WeakPolarHBondContact CE2-O 3.45Å; F104-A114 WeakPolarHBondContact CZ-O 3.23Å; F104-I117 HydrophobicContact CD2-CG2 3.77Å; F104-I117 HydrophobicContact CE2-CB 4.31Å; F104-I117 HydrophobicContact CE2-CG2 3.97Å; F104-I121 HydrophobicContact CB-CD1 3.73Å; F104-I121 HydrophobicContact CD1-CD1 4.21Å; F104-I121 HydrophobicContact CD2-CD1 4.49Å; F104-I121 HydrophobicContact CG-CD1 3.9Å; F104-V137 HydrophobicContact CD1-CG1 3.71Å; F104-V137 HydrophobicContact CE1-CG1 3.8Å; F104-I138 WeakPolarHBondContact CD1-O 3.49Å; F104-I138 PolarHBondContact N-O 3.04Å; F104-V139 HydrophobicContact CE1-CB 4.42Å; F104-V139 HydrophobicContact CE1-CG2 3.7Å; F104-V139 HydrophobicContact CE2-CG2 4.18Å; F104-V139 HydrophobicContact CZ-CB 4.44Å; F104-V139 HydrophobicContact CZ-CG2 3.44Å; F104-V139 VanDerWaalsContact CZ-CG2 3.44Å; F104-V139 WeakPolarHBondContact O-CA 3.47Å; F104-T140 VanDerWaalsContact C-OG1 3.3Å; F104-T140 PolarHBondContact O-N 3.15Å; F104-T140 PolarHBondContact O-OG1 3.16Å; F104-T140 VanDerWaalsContact O-OG1 3.14Å; F104-I150 HydrophobicContact CZ-CG2 4.38Å; F104-L154 HydrophobicContact CE1-CD1 3.81Å; F104-L154 HydrophobicContact CZ-CD1 4.06Å
105	T	96.4	Very high	93.4	Very high	40 Å²	40	49.3 Å²	49.3	25%	0.245	24%	0.237	C	C	.	.			trans	-117.2	103.9	-172.8	-58.4	0	0	0	0	109.3	V85 T140	V85-T105 VanDerWaalsContact CA-O 3.29Å; V85-T105 WeakPolarHBondContact CA-O 3.48Å; V85-T105 PolarHBondContact O-N 2.95Å; T105-T140 VanDerWaalsContact OG1-CB 3.3Å; T105-T140 WeakPolarHBondContact OG1-CB 3.49Å; T105-T140 PolarHBondContact OG1-OG1 2.78Å
106	P	92.9	Very high	93.3	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.039	23%	0.232	C	C	.	.			trans	-54.7	146.6	172.6	-24.7	35.2	0	0	0	111.2	F104 I108 C111 A114 V139 H144	F104-P106 HydrophobicContact CD2-CG 4.4Å; F104-P106 HydrophobicContact CE2-CG 4.07Å; P106-I108 PolarHBondContact O-N 3.48Å; P106-C111 HydrophobicContact CB-CB 4.05Å; P106-A114 HydrophobicContact CB-CB 4.1Å; P106-A114 HydrophobicContact CG-CB 3.65Å; P106-V139 HydrophobicContact CG-CG1 4.35Å; P106-H144 HydrophobicContact CG-CB 4.25Å
107	T	88.8	Confident	93.3	Very high	41 Å²	41	36.9 Å²	36.9	25%	0.252	19%	0.189	S	C	.	.	S	Bend	trans	-66.1	-25.2	-175.3	60.3	0	0	0	0	113.2	N32 L83 V85	N32-T107 WeakPolarHBondContact ND2-CB 3.49Å; N32-T107 PolarHBondContact ND2-OG1 3.23Å; L83-T107 HydrophobicContact CB-CG2 4Å; L83-T107 HydrophobicContact CD1-CG2 4.24Å; V85-T107 HydrophobicContact CG2-CG2 3.73Å
108	I	89.1	Confident	93.3	Very high	40 Å²	40	31.3 Å²	31.3	21%	0.205	16%	0.163	C	C	.	.	S	Bend	trans	-137.4	150.9	175.1	60.7	171.1	0	0	0	110.8	E31 N32 P106 H110 C111	E31-I108 HydrophobicContact CB-CD1 3.57Å; N32-I108 HydrophobicContact CB-CG2 4.05Å; P106-I108 PolarHBondContact O-N 3.48Å; I108-H110 PolarHBondContact O-N 3.25Å; I108-C111 HydrophobicContact CG1-CB 3.77Å; I108-C111 WeakPolarHBondContact O-CB 3.46Å; I108-C111 PolarHBondContact O-N 3.14Å
109	P	86.6	Confident	93.3	Very high	61 Å²	61	31.5 Å²	31.5	40%	0.396	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-0.1	-173	27.1	-35.1	0	0	0	115.2	S143 H144 R145	P109-S143 WeakPolarHBondContact CA-O 3.4Å; P109-H144 VanDerWaalsContact C-CD2 3.44Å; P109-H144 PolarHBondContact O-CD2 2.86Å; P109-R145 PolarHBondContact O-N 3.44Å
110	H	87.5	Confident	93.2	Very high	85 Å²	85	27.1 Å²	27.1	39%	0.394	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	13.6	-178.3	-48.2	-26.4	0	0	0	112.3	I108 S112 R145	I108-H110 PolarHBondContact O-N 3.25Å; H110-S112 PolarHBondContact O-N 2.9Å; H110-S112 VanDerWaalsContact O-N 3.12Å; H110-R145 WeakPolarHBondContact CE1-CD 3.29Å; H110-R145 VanDerWaalsContact CE1-CG 3.5Å; H110-R145 WeakPolarHBondContact CE1-CG 3.22Å; H110-R145 PolarHBondContact CE1-NE 3.24Å; H110-R145 PolarHBondContact CE1-NH2 2.78Å; H110-R145 WeakPolarHBondContact ND1-CD 3.33Å; H110-R145 WeakPolarHBondContact ND1-CG 3.39Å; H110-R145 PolarHBondContact ND1-NE 3.15Å; H110-R145 PolarHBondContact NE2-NH2 2.71Å
111	C	83.2	Confident	93.1	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	14%	0.144	C	C	.	.			trans	-57.5	112.5	-174	-177.2	0	0	0	0	111.2	E31 P106 I108 M113 A114 H144	E31-C111 WeakPolarHBondContact OE2-CA 3.18Å; P106-C111 HydrophobicContact CB-CB 4.05Å; I108-C111 HydrophobicContact CG1-CB 3.77Å; I108-C111 WeakPolarHBondContact O-CB 3.46Å; I108-C111 PolarHBondContact O-N 3.14Å; C111-M113 PolarHBondContact O-N 2.88Å; C111-M113 PolarHBondContact SG-N 2.86Å; C111-M113 VanDerWaalsContact SG-N 3.44Å; C111-A114 HydrophobicContact CB-CB 4.35Å; C111-A114 WeakPolarHBondContact O-CB 3.49Å; C111-A114 PolarHBondContact O-N 3.11Å; C111-H144 PolarHBondContact N-NE2 2.82Å; C111-H144 VanDerWaalsContact N-NE2 3.19Å; C111-H144 PolarHBondContact O-NE2 3.48Å
112	S	86.1	Confident	93	Very high	59 Å²	59	23.6 Å²	23.6	41%	0.413	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17	176.3	71.9	0	0	0	0	112.8	E31 H110	E31-S112 WeakPolarHBondContact OE1-CB 3.4Å; E31-S112 PolarHBondContact OE1-OG 2.8Å; E31-S112 PolarHBondContact OE2-N 2.85Å; H110-S112 PolarHBondContact O-N 2.9Å; H110-S112 VanDerWaalsContact O-N 3.12Å
113	M	90.3	Very high	92.8	Very high	13 Å²	13	23.9 Å²	23.9	6%	0.064	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.9	178.1	-61	-60.7	138.3	0	0	114.2	F25 P74 E75 C111 M115 L116 I117	F25-M113 HydrophobicContact CD1-CE 4.03Å; F25-M113 HydrophobicContact CE1-CE 3.92Å; P74-M113 HydrophobicContact CG-CB 3.88Å; P74-M113 HydrophobicContact CG-CG 4.22Å; E75-M113 HydrophobicContact CG-CB 4.4Å; E75-M113 HydrophobicContact CG-CG 3.69Å; C111-M113 PolarHBondContact O-N 2.88Å; C111-M113 PolarHBondContact SG-N 2.86Å; C111-M113 VanDerWaalsContact SG-N 3.44Å; M113-M115 PolarHBondContact O-N 2.87Å; M113-L116 WeakPolarHBondContact O-CA 3.46Å; M113-L116 WeakPolarHBondContact O-CB 3.45Å; M113-L116 PolarHBondContact O-N 2.91Å; M113-L116 HydrophobicContact SD-CD2 4.11Å; M113-I117 WeakPolarHBondContact O-CG1 3.25Å; M113-I117 PolarHBondContact O-N 3.34Å
114	A	93.5	Very high	92.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.5	-36.9	-178.8	0	0	0	0	0	113.1	F104 P106 C111 G118 I150	F104-A114 WeakPolarHBondContact CE2-O 3.45Å; F104-A114 WeakPolarHBondContact CZ-O 3.23Å; P106-A114 HydrophobicContact CB-CB 4.1Å; P106-A114 HydrophobicContact CG-CB 3.65Å; C111-A114 HydrophobicContact CB-CB 4.35Å; C111-A114 WeakPolarHBondContact O-CB 3.49Å; C111-A114 PolarHBondContact O-N 3.11Å; A114-G118 PolarHBondContact O-N 2.79Å; A114-G118 VanDerWaalsContact O-N 3.13Å; A114-I150 HydrophobicContact CB-CD1 3.73Å
115	M	93.2	Very high	92.5	Very high	42 Å²	42	22.7 Å²	22.7	21%	0.207	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-44.6	173.2	178	52.5	66.6	0	0	112.2	M113 G118 L119 I150 Q153 L154	M113-M115 PolarHBondContact O-N 2.87Å; M115-G118 PolarHBondContact O-N 3.28Å; M115-L119 HydrophobicContact CG-CD1 4.29Å; M115-L119 WeakPolarHBondContact O-CG 3.48Å; M115-L119 PolarHBondContact O-N 3.45Å; M115-L119 HydrophobicContact SD-CD1 4.47Å; M115-L119 HydrophobicContact SD-CG 4.23Å; M115-I150 HydrophobicContact CE-CB 4.07Å; M115-I150 HydrophobicContact CE-CG1 4.19Å; M115-I150 HydrophobicContact CE-CG2 3.78Å; M115-Q153 HydrophobicContact CE-CB 3.4Å; M115-Q153 HydrophobicContact CE-CG 4.19Å; M115-Q153 HydrophobicContact SD-CB 4.49Å; M115-L154 HydrophobicContact CE-CG 4.36Å; M115-L154 HydrophobicContact SD-CD2 3.72Å; M115-L154 HydrophobicContact SD-CG 4Å
116	L	93.7	Very high	92.4	Very high	21 Å²	21	23.4 Å²	23.4	11%	0.11	14%	0.136	C	C	.	.	H	α-helix	trans	-65.8	-41.6	-179.3	-178.5	60.4	0	0	0	111.2	P74 M113 G118 L119 C120 L172 V173	P74-L116 HydrophobicContact CB-CD2 3.72Å; P74-L116 HydrophobicContact CB-CG 4.5Å; P74-L116 HydrophobicContact CG-CD2 4.18Å; M113-L116 WeakPolarHBondContact O-CA 3.46Å; M113-L116 WeakPolarHBondContact O-CB 3.45Å; M113-L116 PolarHBondContact O-N 2.91Å; M113-L116 HydrophobicContact SD-CD2 4.11Å; L116-G118 VanDerWaalsContact C-N 3.34Å; L116-G118 PolarHBondContact O-N 3.14Å; L116-L119 WeakPolarHBondContact O-CB 3.42Å; L116-L119 PolarHBondContact O-N 3.38Å; L116-L119 VanDerWaalsContact O-N 3.16Å; L116-C120 PolarHBondContact O-N 3.36Å; L116-C120 PolarHBondContact O-SG 2.89Å; L116-L172 HydrophobicContact CD1-CB 4.45Å; L116-L172 HydrophobicContact CD2-CB 4.35Å; L116-L172 HydrophobicContact CD2-CD1 4.3Å; L116-V173 HydrophobicContact CD1-CG2 3.94Å
117	I	95.3	Very high	92.4	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.015	16%	0.16	C	C	.	.	H	α-helix	trans	-55.8	-50.3	173.2	-67.8	170.1	0	0	0	110.2	P74 L80 V85 F104 M113 L119 C120 I121	P74-I117 HydrophobicContact CG-CG1 4.07Å; L80-I117 HydrophobicContact CD1-CG2 4.02Å; L80-I117 HydrophobicContact CD2-CG2 4.13Å; V85-I117 HydrophobicContact CG1-CG2 3.75Å; F104-I117 HydrophobicContact CD2-CG2 3.77Å; F104-I117 HydrophobicContact CE2-CB 4.31Å; F104-I117 HydrophobicContact CE2-CG2 3.97Å; M113-I117 WeakPolarHBondContact O-CG1 3.25Å; M113-I117 PolarHBondContact O-N 3.34Å; I117-L119 VanDerWaalsContact C-N 3.32Å; I117-L119 PolarHBondContact O-N 2.98Å; I117-C120 WeakPolarHBondContact O-CB 3.45Å; I117-C120 PolarHBondContact O-N 2.88Å; I117-C120 VanDerWaalsContact O-N 3.15Å; I117-I121 HydrophobicContact CG2-CD1 4.17Å; I117-I121 WeakPolarHBondContact O-CG1 3.36Å; I117-I121 PolarHBondContact O-N 2.83Å
118	G	96.3	Very high	92.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60	-38.9	176.7	0	0	0	0	0	113.3	A114 M115 L116 I121 R122	A114-G118 PolarHBondContact O-N 2.79Å; A114-G118 VanDerWaalsContact O-N 3.13Å; M115-G118 PolarHBondContact O-N 3.28Å; L116-G118 VanDerWaalsContact C-N 3.34Å; L116-G118 PolarHBondContact O-N 3.14Å; G118-I121 PolarHBondContact O-N 3.1Å; G118-R122 WeakPolarHBondContact O-CG 3.25Å; G118-R122 PolarHBondContact O-N 3.23Å
119	L	95.8	Very high	92.8	Very high	9 Å²	9	29.3 Å²	29.3	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-40.9	174.1	-72.2	174	0	0	0	112.1	M115 L116 I117 R122 A123 L154 V160 I169 V173	M115-L119 HydrophobicContact CG-CD1 4.29Å; M115-L119 WeakPolarHBondContact O-CG 3.48Å; M115-L119 PolarHBondContact O-N 3.45Å; M115-L119 HydrophobicContact SD-CD1 4.47Å; M115-L119 HydrophobicContact SD-CG 4.23Å; L116-L119 WeakPolarHBondContact O-CB 3.42Å; L116-L119 PolarHBondContact O-N 3.38Å; L116-L119 VanDerWaalsContact O-N 3.16Å; I117-L119 VanDerWaalsContact C-N 3.32Å; I117-L119 PolarHBondContact O-N 2.98Å; L119-R122 PolarHBondContact O-N 3.31Å; L119-A123 VanDerWaalsContact O-CB 3.28Å; L119-A123 WeakPolarHBondContact O-CB 3.4Å; L119-A123 PolarHBondContact O-N 3.21Å; L119-L154 HydrophobicContact CD2-CD2 4.12Å; L119-L154 HydrophobicContact CG-CD2 4.22Å; L119-V160 HydrophobicContact CD2-CB 4.36Å; L119-V160 HydrophobicContact CD2-CG1 3.89Å; L119-V160 HydrophobicContact CD2-CG2 4Å; L119-I169 HydrophobicContact CD1-CG2 4.22Å; L119-V173 HydrophobicContact CB-CG2 4.46Å
120	C	96	Very high	93.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-46.4	175.3	-67.9	0	0	0	0	111.2	I71 L116 I117 A123 K124 C176 L177	I71-C120 HydrophobicContact CG2-CB 3.98Å; L116-C120 PolarHBondContact O-N 3.36Å; L116-C120 PolarHBondContact O-SG 2.89Å; I117-C120 WeakPolarHBondContact O-CB 3.45Å; I117-C120 PolarHBondContact O-N 2.88Å; I117-C120 VanDerWaalsContact O-N 3.15Å; C120-A123 PolarHBondContact O-N 2.92Å; C120-K124 WeakPolarHBondContact O-CB 3.26Å; C120-K124 PolarHBondContact O-N 3.26Å; C120-C176 HydrophobicContact CB-CB 4.27Å; C120-C176 WeakPolarHBondContact SG-CB 3.46Å; C120-C176 VanDerWaalsContact SG-SG 3.7Å; C120-L177 HydrophobicContact CB-CD2 4.46Å
121	I	97.1	Very high	93.5	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.5	-50.2	175.9	-63.1	167.8	0	0	0	110.1	I68 I71 L80 V86 V102 F104 I117 G118 A123 K124 L125 V137	I68-I121 HydrophobicContact CG2-CG2 4.3Å; I71-I121 HydrophobicContact CD1-CG1 4.08Å; L80-I121 HydrophobicContact CD1-CD1 4.15Å; L80-I121 HydrophobicContact CD1-CG1 3.96Å; V86-I121 HydrophobicContact CG1-CD1 3.88Å; V102-I121 HydrophobicContact CG1-CG2 4.14Å; F104-I121 HydrophobicContact CB-CD1 3.73Å; F104-I121 HydrophobicContact CD1-CD1 4.21Å; F104-I121 HydrophobicContact CD2-CD1 4.49Å; F104-I121 HydrophobicContact CG-CD1 3.9Å; I117-I121 HydrophobicContact CG2-CD1 4.17Å; I117-I121 WeakPolarHBondContact O-CG1 3.36Å; I117-I121 PolarHBondContact O-N 2.83Å; G118-I121 PolarHBondContact O-N 3.1Å; I121-A123 VanDerWaalsContact C-N 3.32Å; I121-A123 PolarHBondContact O-N 3.36Å; I121-K124 PolarHBondContact O-N 2.89Å; I121-L125 HydrophobicContact CG2-CD1 4.03Å; I121-L125 HydrophobicContact CG2-CG 4.38Å; I121-L125 WeakPolarHBondContact O-CG 3.27Å; I121-L125 PolarHBondContact O-N 2.88Å; I121-V137 HydrophobicContact CB-CG1 4.1Å; I121-V137 HydrophobicContact CB-CG2 4.41Å; I121-V137 HydrophobicContact CD1-CG1 4.34Å; I121-V137 HydrophobicContact CG2-CG1 3.97Å; I121-V137 HydrophobicContact CG2-CG2 3.74Å
122	R	96.1	Very high	94.1	Very high	15 Å²	15	36.5 Å²	36.5	6%	0.057	20%	0.199	C	C	.	.	H	α-helix	trans	-57	-45	177.2	-75.8	-169.7	69.1	92.8	12.3	112	G118 L119 A126 Y135 V137 L154	G118-R122 WeakPolarHBondContact O-CG 3.25Å; G118-R122 PolarHBondContact O-N 3.23Å; L119-R122 PolarHBondContact O-N 3.31Å; R122-A126 VanDerWaalsContact O-CB 3.25Å; R122-A126 WeakPolarHBondContact O-CB 3.23Å; R122-A126 PolarHBondContact O-N 3.33Å; R122-Y135 HydrophobicContact CB-CE2 4.43Å; R122-Y135 HydrophobicContact CG-CE2 4.48Å; R122-V137 HydrophobicContact CB-CG2 4.47Å; R122-V137 HydrophobicContact CG-CB 3.83Å; R122-V137 HydrophobicContact CG-CG2 3.48Å; R122-V137 VanDerWaalsContact CG-CG2 3.48Å; R122-L154 WeakPolarHBondContact CD-O 3.46Å; R122-L154 PolarHBondContact NE-O 3Å; R122-L154 PolarHBondContact NH1-O 2.93Å
123	A	94.7	Very high	94.6	Very high	5 Å²	5	34.1 Å²	34.1	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-66.4	-36.9	179.9	0	0	0	0	0	112.4	L119 C120 I121 R127 V173 L177	L119-A123 VanDerWaalsContact O-CB 3.28Å; L119-A123 WeakPolarHBondContact O-CB 3.4Å; L119-A123 PolarHBondContact O-N 3.21Å; C120-A123 PolarHBondContact O-N 2.92Å; I121-A123 VanDerWaalsContact C-N 3.32Å; I121-A123 PolarHBondContact O-N 3.36Å; A123-R127 VanDerWaalsContact O-CG 3.27Å; A123-R127 WeakPolarHBondContact O-CG 3.27Å; A123-R127 PolarHBondContact O-N 2.88Å; A123-V173 HydrophobicContact CB-CG1 3.6Å; A123-L177 HydrophobicContact CB-CD1 3.96Å
124	K	94.9	Very high	94.9	Very high	34 Å²	34	40.5 Å²	40.5	15%	0.148	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-54.4	174.2	-172.4	59.2	163.2	-171.7	0	110.6	L67 I68 I71 C120 I121 A126 R127 T128 L177	L67-K124 WeakPolarHBondContact O-CE 3.47Å; L67-K124 WeakPolarHBondContact O-CG 3.39Å; I68-K124 HydrophobicContact CG2-CG 4.37Å; I71-K124 HydrophobicContact CD1-CB 3.78Å; I71-K124 HydrophobicContact CD1-CG 4.06Å; I71-K124 HydrophobicContact CG1-CB 4.4Å; I71-K124 HydrophobicContact CG1-CG 4.31Å; C120-K124 WeakPolarHBondContact O-CB 3.26Å; C120-K124 PolarHBondContact O-N 3.26Å; I121-K124 PolarHBondContact O-N 2.89Å; K124-A126 VanDerWaalsContact C-N 3.28Å; K124-A126 PolarHBondContact O-N 2.96Å; K124-R127 PolarHBondContact O-N 3.14Å; K124-T128 HydrophobicContact CD-CG2 4.08Å; K124-T128 PolarHBondContact O-N 3.07Å; K124-T128 VanDerWaalsContact O-N 3.09Å; K124-T128 PolarHBondContact O-OG1 3.29Å; K124-L177 HydrophobicContact CB-CD2 3.77Å; K124-L177 HydrophobicContact CD-CD2 4.16Å; K124-L177 HydrophobicContact CG-CD2 4.34Å
125	L	95.7	Very high	95.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-40.2	179.3	-64.6	178.4	0	0	0	112	V64 I68 V102 I121 R127 T128 L129 Y135 V137	V64-L125 HydrophobicContact CG1-CD2 3.98Å; I68-L125 HydrophobicContact CG2-CD2 3.71Å; I68-L125 HydrophobicContact CG2-CG 4.17Å; V102-L125 HydrophobicContact CG2-CD1 3.99Å; I121-L125 HydrophobicContact CG2-CD1 4.03Å; I121-L125 HydrophobicContact CG2-CG 4.38Å; I121-L125 WeakPolarHBondContact O-CG 3.27Å; I121-L125 PolarHBondContact O-N 2.88Å; L125-R127 PolarHBondContact O-N 3.34Å; L125-T128 PolarHBondContact O-N 3.29Å; L125-L129 HydrophobicContact CB-CD1 4.14Å; L125-L129 HydrophobicContact CD2-CD1 3.97Å; L125-L129 HydrophobicContact CD2-CG 4.29Å; L125-L129 WeakPolarHBondContact O-CB 3.49Å; L125-L129 PolarHBondContact O-N 2.83Å; L125-Y135 HydrophobicContact CB-CD1 4.32Å; L125-Y135 HydrophobicContact CB-CD2 4.25Å; L125-Y135 HydrophobicContact CB-CG 4.15Å; L125-Y135 HydrophobicContact CD1-CD2 4.25Å; L125-Y135 HydrophobicContact CD1-CG 4.23Å; L125-V137 HydrophobicContact CD1-CG2 4.09Å
126	A	93.6	Very high	95.3	Very high	55 Å²	55	44.7 Å²	44.7	46%	0.455	23%	0.229	S	C	.	.	H	α-helix	trans	-61.6	-29.9	176.2	0	0	0	0	0	113.8	R122 K124 Y135	R122-A126 VanDerWaalsContact O-CB 3.25Å; R122-A126 WeakPolarHBondContact O-CB 3.23Å; R122-A126 PolarHBondContact O-N 3.33Å; K124-A126 VanDerWaalsContact C-N 3.28Å; K124-A126 PolarHBondContact O-N 2.96Å; A126-Y135 VanDerWaalsContact CB-OH 3.27Å; A126-Y135 WeakPolarHBondContact CB-OH 3.48Å
127	R	92.5	Very high	95.5	Very high	141 Å²	141	43.9 Å²	43.9	53%	0.532	22%	0.224	S	C	.	.	H	α-helix	trans	-88	-26.3	-178.9	-71.7	172.5	-176.3	-176.5	3.2	113	A123 K124 L125 N174	A123-R127 VanDerWaalsContact O-CG 3.27Å; A123-R127 WeakPolarHBondContact O-CG 3.27Å; A123-R127 PolarHBondContact O-N 2.88Å; K124-R127 PolarHBondContact O-N 3.14Å; L125-R127 PolarHBondContact O-N 3.34Å; R127-N174 PolarHBondContact NH1-OD1 3.32Å; R127-N174 PolarHBondContact NH2-OD1 3.33Å
128	T	93.1	Very high	95.6	Very high	53 Å²	53	45.3 Å²	45.3	33%	0.325	23%	0.232	S	C	.	.	H	α-helix	trans	-109.7	-31.5	-169.4	56.6	0	0	0	0	113.6	L67 K124 L125	L67-T128 HydrophobicContact CD2-CG2 4.09Å; K124-T128 HydrophobicContact CD-CG2 4.08Å; K124-T128 PolarHBondContact O-N 3.07Å; K124-T128 VanDerWaalsContact O-N 3.09Å; K124-T128 PolarHBondContact O-OG1 3.29Å; L125-T128 PolarHBondContact O-N 3.29Å
129	L	93.7	Very high	95.7	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.089	23%	0.233	C	C	.	.	S	Bend	trans	-81.6	143.4	-179.8	-66.8	-178.2	0	0	0	111.9	F59 V64 L67 V100 L125 F133 Y135	F59-L129 HydrophobicContact CD1-CD2 4.29Å; F59-L129 HydrophobicContact CE1-CD2 4.21Å; V64-L129 HydrophobicContact CG2-CD2 4.26Å; L67-L129 HydrophobicContact CD1-CD2 4Å; V100-L129 HydrophobicContact CB-CD1 4.38Å; V100-L129 HydrophobicContact CG2-CD1 3.95Å; L125-L129 HydrophobicContact CB-CD1 4.14Å; L125-L129 HydrophobicContact CD2-CD1 3.97Å; L125-L129 HydrophobicContact CD2-CG 4.29Å; L125-L129 WeakPolarHBondContact O-CB 3.49Å; L125-L129 PolarHBondContact O-N 2.83Å; L129-F133 HydrophobicContact CB-CB 4.3Å; L129-F133 HydrophobicContact CB-CD2 4.34Å; L129-F133 HydrophobicContact CD1-CB 4.23Å; L129-Y135 HydrophobicContact CD1-CD1 4.4Å
130	P	94.4	Very high	95.8	Very high	50 Å²	50	46.3 Å²	46.3	33%	0.325	24%	0.239	S	C	.	.			trans	-55.1	146.2	168.7	-26.6	34.1	0	0	0	112.7	F59 R132 F133	F59-P130 HydrophobicContact CE2-CG 4.05Å; F59-P130 HydrophobicContact CZ-CG 3.73Å; P130-R132 HydrophobicContact CB-CG 4.16Å; P130-R132 PolarHBondContact O-N 3.01Å; P130-F133 HydrophobicContact CB-CD2 4.24Å; P130-F133 HydrophobicContact CG-CD2 4.3Å; P130-F133 HydrophobicContact CG-CE2 4.35Å; P130-F133 PolarHBondContact O-N 3.03Å
131	S	94	Very high	95.8	Very high	130 Å²	130	50.7 Å²	50.7	91%	0.909	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-17	-176	59.2	0	0	0	0	115.1	F133	S131-F133 PolarHBondContact O-N 2.76Å
132	R	96	Very high	95.7	Very high	118 Å²	118	54.2 Å²	54.2	45%	0.445	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.9	172.8	68.9	177	174.5	90.8	-0.6	113	D95 P130	D95-R132 PolarHBondContact O-NH1 2.68Å; D95-R132 IonicContact OD1-CZ 3.83Å; D95-R132 IonicContact OD1-NH1 2.84Å; D95-R132 PolarHBondContact OD1-NH1 3.22Å; D95-R132 IonicContact OD1-NH2 3.21Å; D95-R132 PolarHBondContact OD1-NH2 2.92Å; D95-R132 IonicContact OD2-NH2 2.71Å; P130-R132 HydrophobicContact CB-CG 4.16Å; P130-R132 PolarHBondContact O-N 3.01Å
133	F	96.3	Very high	95.6	Very high	10 Å²	10	54.3 Å²	54.3	4%	0.044	31%	0.306	C	S	.	.			trans	-80.2	131.6	-177.6	-79	-75.5	0	0	0	112.7	F59 V93 D95 G98 V100 L129 P130 S131	F59-F133 HydrophobicContact CB-CE2 4.38Å; F59-F133 HydrophobicContact CB-CZ 3.77Å; F59-F133 HydrophobicContact CD1-CE2 4.21Å; F59-F133 HydrophobicContact CD1-CZ 4.39Å; F59-F133 AromaticContact CD2-CE2 3.68Å; F59-F133 HydrophobicContact CD2-CE2 3.68Å; F59-F133 AromaticContact CD2-CZ 3.79Å; F59-F133 HydrophobicContact CD2-CZ 3.79Å; F59-F133 HydrophobicContact CE1-CE2 4.48Å; F59-F133 AromaticContact CE2-CE2 3.98Å; F59-F133 HydrophobicContact CE2-CE2 3.98Å; F59-F133 AromaticContact CG-CE2 3.81Å; F59-F133 HydrophobicContact CG-CE2 3.81Å; F59-F133 AromaticContact CG-CZ 3.71Å; F59-F133 HydrophobicContact CG-CZ 3.71Å; F59-F133 HydrophobicContact CZ-CE2 4.38Å; V93-F133 HydrophobicContact CG1-CE1 4.35Å; D95-F133 WeakPolarHBondContact OD1-CZ 3.41Å; G98-F133 VanDerWaalsContact C-CD1 3.42Å; G98-F133 CarbonylContact O-C 3.54Å; G98-F133 WeakPolarHBondContact O-CA 3.28Å; V100-F133 HydrophobicContact CG2-CD1 3.64Å; V100-F133 HydrophobicContact CG2-CE1 3.95Å; V100-F133 HydrophobicContact CG2-CG 4.33Å; L129-F133 HydrophobicContact CB-CB 4.3Å; L129-F133 HydrophobicContact CB-CD2 4.34Å; L129-F133 HydrophobicContact CD1-CB 4.23Å; P130-F133 HydrophobicContact CB-CD2 4.24Å; P130-F133 HydrophobicContact CG-CD2 4.3Å; P130-F133 HydrophobicContact CG-CE2 4.35Å; P130-F133 PolarHBondContact O-N 3.03Å; S131-F133 PolarHBondContact O-N 2.76Å
134	K	96.9	Very high	95.6	Very high	146 Å²	146	54.7 Å²	54.7	64%	0.635	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.8	162.7	-62	177.5	-176.5	175.4	0	107.6	G98 K99 V100	G98-K134 PolarHBondContact O-N 3.01Å; K99-K134 CarbonylContact C-O 3.55Å; K99-K134 WeakPolarHBondContact CA-O 3.3Å; V100-K134 PolarHBondContact N-O 2.79Å
135	Y	97.3	Very high	95.6	Very high	56 Å²	56	62.2 Å²	62.2	22%	0.22	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.3	179.9	52.3	-93.9	0	0	0	111.8	V100 R122 L125 A126 L129	V100-Y135 CarbonylContact O-C 3.5Å; V100-Y135 VanDerWaalsContact O-CA 3.23Å; V100-Y135 WeakPolarHBondContact O-CA 3.48Å; R122-Y135 HydrophobicContact CB-CE2 4.43Å; R122-Y135 HydrophobicContact CG-CE2 4.48Å; L125-Y135 HydrophobicContact CB-CD1 4.32Å; L125-Y135 HydrophobicContact CB-CD2 4.25Å; L125-Y135 HydrophobicContact CB-CG 4.15Å; L125-Y135 HydrophobicContact CD1-CD2 4.25Å; L125-Y135 HydrophobicContact CD1-CG 4.23Å; A126-Y135 VanDerWaalsContact CB-OH 3.27Å; A126-Y135 WeakPolarHBondContact CB-OH 3.48Å; L129-Y135 HydrophobicContact CD1-CD1 4.4Å
136	D	97.5	Very high	95.5	Very high	74 Å²	74	67.2 Å²	67.2	40%	0.396	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.7	171.8	-62	-44.8	0	0	0	109.2	V100 K101 V102 I138	V100-D136 PolarHBondContact O-N 3.48Å; K101-D136 WeakPolarHBondContact CA-O 3.35Å; K101-D136 HydrophobicContact CG-CB 4.32Å; V102-D136 PolarHBondContact N-O 2.76Å; D136-I138 HydrophobicContact CB-CD1 4.18Å; D136-I138 HydrophobicContact CB-CG1 4.31Å
137	V	98	Very high	95.5	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.024	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.8	175.8	-179.9	0	0	0	0	107.5	V102 F104 I121 R122 L125 L154	V102-V137 WeakPolarHBondContact O-CA 3.4Å; F104-V137 HydrophobicContact CD1-CG1 3.71Å; F104-V137 HydrophobicContact CE1-CG1 3.8Å; I121-V137 HydrophobicContact CB-CG1 4.1Å; I121-V137 HydrophobicContact CB-CG2 4.41Å; I121-V137 HydrophobicContact CD1-CG1 4.34Å; I121-V137 HydrophobicContact CG2-CG1 3.97Å; I121-V137 HydrophobicContact CG2-CG2 3.74Å; R122-V137 HydrophobicContact CB-CG2 4.47Å; R122-V137 HydrophobicContact CG-CB 3.83Å; R122-V137 HydrophobicContact CG-CG2 3.48Å; R122-V137 VanDerWaalsContact CG-CG2 3.48Å; L125-V137 HydrophobicContact CD1-CG2 4.09Å; V137-L154 HydrophobicContact CG1-CD1 4.28Å
138	I	98.2	Very high	95.7	Very high	34 Å²	34	67.4 Å²	67.4	17%	0.174	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.2	-165.6	-59.4	167.4	0	0	0	108.6	V102 Y103 F104 D136 T140 T151	V102-I138 PolarHBondContact O-N 2.85Å; Y103-I138 CarbonylContact C-O 3.59Å; Y103-I138 VanDerWaalsContact CA-O 3.28Å; Y103-I138 WeakPolarHBondContact CA-O 3.35Å; Y103-I138 HydrophobicContact CD1-CB 3.83Å; Y103-I138 HydrophobicContact CD1-CG2 3.72Å; Y103-I138 HydrophobicContact CE1-CB 3.91Å; Y103-I138 HydrophobicContact CE1-CD1 4Å; Y103-I138 HydrophobicContact CE1-CG2 3.6Å; F104-I138 WeakPolarHBondContact CD1-O 3.49Å; F104-I138 PolarHBondContact N-O 3.04Å; D136-I138 HydrophobicContact CB-CD1 4.18Å; D136-I138 HydrophobicContact CB-CG1 4.31Å; I138-T140 PolarHBondContact O-N 3.05Å; I138-T151 HydrophobicContact CB-CG2 4.26Å; I138-T151 HydrophobicContact CG1-CG2 4.11Å; I138-T151 HydrophobicContact CG2-CG2 3.86Å
139	V	97.5	Very high	95.7	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.012	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.3	170.4	179.6	0	0	0	0	108.3	F104 P106 P141 S143 H144 E147 I150 T151	F104-V139 HydrophobicContact CE1-CB 4.42Å; F104-V139 HydrophobicContact CE1-CG2 3.7Å; F104-V139 HydrophobicContact CE2-CG2 4.18Å; F104-V139 HydrophobicContact CZ-CB 4.44Å; F104-V139 HydrophobicContact CZ-CG2 3.44Å; F104-V139 VanDerWaalsContact CZ-CG2 3.44Å; F104-V139 WeakPolarHBondContact O-CA 3.47Å; P106-V139 HydrophobicContact CG-CG1 4.35Å; V139-P141 WeakPolarHBondContact O-CD 3.24Å; V139-S143 WeakPolarHBondContact CG1-OG 2.85Å; V139-H144 HydrophobicContact CG1-CB 3.81Å; V139-E147 HydrophobicContact CB-CB 3.99Å; V139-E147 HydrophobicContact CG1-CB 3.73Å; V139-I150 HydrophobicContact CG2-CB 3.9Å; V139-I150 HydrophobicContact CG2-CG2 3.49Å; V139-I150 VanDerWaalsContact CG2-CG2 3.49Å; V139-T151 PolarHBondContact N-OG1 2.98Å; V139-T151 VanDerWaalsContact N-OG1 3.16Å
140	T	97.7	Very high	95.8	Very high	28 Å²	28	69.2 Å²	69.2	17%	0.172	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-54.3	124.5	178.3	-58.5	0	0	0	0	110.1	F104 T105 I138 G142 S143	F104-T140 VanDerWaalsContact C-OG1 3.3Å; F104-T140 PolarHBondContact O-N 3.15Å; F104-T140 PolarHBondContact O-OG1 3.16Å; F104-T140 VanDerWaalsContact O-OG1 3.14Å; T105-T140 VanDerWaalsContact OG1-CB 3.3Å; T105-T140 WeakPolarHBondContact OG1-CB 3.49Å; T105-T140 PolarHBondContact OG1-OG1 2.78Å; I138-T140 PolarHBondContact O-N 3.05Å; T140-G142 PolarHBondContact O-N 2.86Å; T140-S143 VanDerWaalsContact O-CB 3.23Å; T140-S143 WeakPolarHBondContact O-CB 3.49Å; T140-S143 PolarHBondContact O-N 3.31Å; T140-S143 PolarHBondContact O-OG 3.1Å
141	P	96.7	Very high	95.9	Very high	93 Å²	93	68.4 Å²	68.4	60%	0.604	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	134.8	-179.2	-27.6	35.4	0	0	0	113	V139 S143 E147	V139-P141 WeakPolarHBondContact O-CD 3.24Å; P141-S143 VanDerWaalsContact C-N 3.31Å; P141-E147 WeakPolarHBondContact CA-OE2 3.28Å
142	G	95.5	Very high	95.9	Very high	74 Å²	74	70.1 Å²	70.1	76%	0.763	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-3.9	-175.5	0	0	0	0	0	115.2	T140 E147	T140-G142 PolarHBondContact O-N 2.86Å; G142-E147 WeakPolarHBondContact CA-OE2 3.5Å; G142-E147 PolarHBondContact N-OE2 2.99Å
143	S	94.3	Very high	95.9	Very high	17 Å²	17	66.9 Å²	66.9	12%	0.119	34%	0.335	C	S	.	.	S	Bend	trans	-90.2	-18.7	-174.2	70.2	0	0	0	0	115.1	P109 V139 T140 P141	P109-S143 WeakPolarHBondContact CA-O 3.4Å; V139-S143 WeakPolarHBondContact CG1-OG 2.85Å; T140-S143 VanDerWaalsContact O-CB 3.23Å; T140-S143 WeakPolarHBondContact O-CB 3.49Å; T140-S143 PolarHBondContact O-N 3.31Å; T140-S143 PolarHBondContact O-OG 3.1Å; P141-S143 VanDerWaalsContact C-N 3.31Å
144	H	94.4	Very high	95.8	Very high	13 Å²	13	66.4 Å²	66.4	6%	0.06	33%	0.333	C	S	.	.			trans	-145.8	141.4	-175.3	-165.7	-94.3	0	0	0	112.6	P106 P109 C111 V139 E146 E147 I150	P106-H144 HydrophobicContact CG-CB 4.25Å; P109-H144 VanDerWaalsContact C-CD2 3.44Å; P109-H144 PolarHBondContact O-CD2 2.86Å; C111-H144 PolarHBondContact N-NE2 2.82Å; C111-H144 VanDerWaalsContact N-NE2 3.19Å; C111-H144 PolarHBondContact O-NE2 3.48Å; V139-H144 HydrophobicContact CG1-CB 3.81Å; H144-E146 VanDerWaalsContact C-N 3.26Å; H144-E146 PolarHBondContact ND1-N 2.77Å; H144-E146 PolarHBondContact O-N 2.83Å; H144-E147 HydrophobicContact CB-CB 4.29Å; H144-E147 WeakPolarHBondContact O-CB 3.34Å; H144-E147 PolarHBondContact O-N 2.91Å; H144-E147 VanDerWaalsContact O-N 3.17Å; H144-I150 WeakPolarHBondContact ND1-CD1 2.85Å
145	R	94.4	Very high	95.8	Very high	192 Å²	192	62.3 Å²	62.3	73%	0.725	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-35.3	-179.1	-79.1	-168.3	-179.8	150.6	11	113.4	P109 H110	P109-R145 PolarHBondContact O-N 3.44Å; H110-R145 WeakPolarHBondContact CE1-CD 3.29Å; H110-R145 VanDerWaalsContact CE1-CG 3.5Å; H110-R145 WeakPolarHBondContact CE1-CG 3.22Å; H110-R145 PolarHBondContact CE1-NE 3.24Å; H110-R145 PolarHBondContact CE1-NH2 2.78Å; H110-R145 WeakPolarHBondContact ND1-CD 3.33Å; H110-R145 WeakPolarHBondContact ND1-CG 3.39Å; H110-R145 PolarHBondContact ND1-NE 3.15Å; H110-R145 PolarHBondContact NE2-NH2 2.71Å
146	E	93.4	Very high	95.6	Very high	104 Å²	104	62.2 Å²	62.2	49%	0.486	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	23.4	-179.7	-59	-169.3	141	0	0	113.1	H144 Q148 Q149 I150	H144-E146 VanDerWaalsContact C-N 3.26Å; H144-E146 PolarHBondContact ND1-N 2.77Å; H144-E146 PolarHBondContact O-N 2.83Å; E146-Q148 VanDerWaalsContact C-N 3.25Å; E146-Q148 PolarHBondContact O-N 3.17Å; E146-Q148 VanDerWaalsContact O-N 3.12Å; E146-Q149 HydrophobicContact CB-CB 4.47Å; E146-Q149 PolarHBondContact O-N 2.97Å; E146-Q149 VanDerWaalsContact O-N 3.08Å; E146-I150 HydrophobicContact CB-CD1 4.23Å; E146-I150 HydrophobicContact CB-CG1 4.32Å; E146-I150 WeakPolarHBondContact O-CG1 3.3Å; E146-I150 PolarHBondContact O-N 3.2Å
147	E	94.8	Very high	95.4	Very high	45 Å²	45	65.9 Å²	65.9	21%	0.21	34%	0.342	C	S	.	.	H	α-helix	trans	-49	-43	-174.3	65.9	-178.3	-154.8	0	0	113.9	V139 P141 G142 H144 T151	V139-E147 HydrophobicContact CB-CB 3.99Å; V139-E147 HydrophobicContact CG1-CB 3.73Å; P141-E147 WeakPolarHBondContact CA-OE2 3.28Å; G142-E147 WeakPolarHBondContact CA-OE2 3.5Å; G142-E147 PolarHBondContact N-OE2 2.99Å; H144-E147 HydrophobicContact CB-CB 4.29Å; H144-E147 WeakPolarHBondContact O-CB 3.34Å; H144-E147 PolarHBondContact O-N 2.91Å; H144-E147 VanDerWaalsContact O-N 3.17Å; E147-T151 VanDerWaalsContact O-CB 3.22Å; E147-T151 WeakPolarHBondContact O-CB 3.1Å; E147-T151 PolarHBondContact O-N 3.34Å; E147-T151 PolarHBondContact O-OG1 3.09Å
148	Q	95.1	Very high	95.2	Very high	155 Å²	155	73.5 Å²	73.5	72%	0.724	38%	0.377	S	S	*	.	H	α-helix	trans	-70.6	-41	-176.5	-63.7	-175	-4.1	0	0	111	E146 K152	E146-Q148 VanDerWaalsContact C-N 3.25Å; E146-Q148 PolarHBondContact O-N 3.17Å; E146-Q148 VanDerWaalsContact O-N 3.12Å; Q148-K152 WeakPolarHBondContact O-CB 3.45Å; Q148-K152 PolarHBondContact O-N 3.38Å
149	Q	94.6	Very high	94.8	Very high	101 Å²	101	78.1 Å²	78.1	47%	0.472	39%	0.393	S	S	.	.	H	α-helix	trans	-67.8	-44.1	178.2	173.6	171.9	-23.4	0	0	111	E146 K152 Q153	E146-Q149 HydrophobicContact CB-CB 4.47Å; E146-Q149 PolarHBondContact O-N 2.97Å; E146-Q149 VanDerWaalsContact O-N 3.08Å; Q149-K152 PolarHBondContact O-N 2.93Å; Q149-Q153 WeakPolarHBondContact O-CB 3.29Å; Q149-Q153 VanDerWaalsContact O-CG 3.3Å; Q149-Q153 WeakPolarHBondContact O-CG 3.29Å; Q149-Q153 PolarHBondContact O-N 3.3Å
150	I	94.7	Very high	94.5	Very high	8 Å²	8	78.6 Å²	78.6	4%	0.041	40%	0.395	C	S	.	.	H	α-helix	trans	-63.5	-49.8	177.5	-66.7	170.7	0	0	0	110	F104 A114 M115 V139 H144 E146 K152 Q153 L154	F104-I150 HydrophobicContact CZ-CG2 4.38Å; A114-I150 HydrophobicContact CB-CD1 3.73Å; M115-I150 HydrophobicContact CE-CB 4.07Å; M115-I150 HydrophobicContact CE-CG1 4.19Å; M115-I150 HydrophobicContact CE-CG2 3.78Å; V139-I150 HydrophobicContact CG2-CB 3.9Å; V139-I150 HydrophobicContact CG2-CG2 3.49Å; V139-I150 VanDerWaalsContact CG2-CG2 3.49Å; H144-I150 WeakPolarHBondContact ND1-CD1 2.85Å; E146-I150 HydrophobicContact CB-CD1 4.23Å; E146-I150 HydrophobicContact CB-CG1 4.32Å; E146-I150 WeakPolarHBondContact O-CG1 3.3Å; E146-I150 PolarHBondContact O-N 3.2Å; I150-K152 VanDerWaalsContact C-N 3.31Å; I150-K152 PolarHBondContact O-N 3.26Å; I150-Q153 PolarHBondContact O-N 2.75Å; I150-Q153 VanDerWaalsContact O-N 3.15Å; I150-L154 HydrophobicContact CG2-CD1 3.81Å; I150-L154 HydrophobicContact CG2-CG 4.3Å; I150-L154 WeakPolarHBondContact O-CG 3.4Å; I150-L154 PolarHBondContact O-N 2.99Å
151	T	96.4	Very high	94.2	Very high	33 Å²	33	79.6 Å²	79.6	20%	0.202	41%	0.407	C	S	.	.	H	α-helix	trans	-57.9	-44	177.7	-61.4	0	0	0	0	111.5	I138 V139 E147 Q153 L154 A155	I138-T151 HydrophobicContact CB-CG2 4.26Å; I138-T151 HydrophobicContact CG1-CG2 4.11Å; I138-T151 HydrophobicContact CG2-CG2 3.86Å; V139-T151 PolarHBondContact N-OG1 2.98Å; V139-T151 VanDerWaalsContact N-OG1 3.16Å; E147-T151 VanDerWaalsContact O-CB 3.22Å; E147-T151 WeakPolarHBondContact O-CB 3.1Å; E147-T151 PolarHBondContact O-N 3.34Å; E147-T151 PolarHBondContact O-OG1 3.09Å; T151-Q153 PolarHBondContact O-N 3.06Å; T151-L154 PolarHBondContact O-N 3.37Å; T151-A155 WeakPolarHBondContact O-CB 3.21Å; T151-A155 PolarHBondContact O-N 3.41Å
152	K	95.2	Very high	94	Very high	165 Å²	165	77.7 Å²	77.7	72%	0.717	40%	0.399	S	S	*	.	H	α-helix	trans	-61.7	-43.2	176.6	-176.7	177.7	-179	178.3	0	112.2	Q148 Q149 I150 A155 D156	Q148-K152 WeakPolarHBondContact O-CB 3.45Å; Q148-K152 PolarHBondContact O-N 3.38Å; Q149-K152 PolarHBondContact O-N 2.93Å; I150-K152 VanDerWaalsContact C-N 3.31Å; I150-K152 PolarHBondContact O-N 3.26Å; K152-A155 PolarHBondContact O-N 3.42Å; K152-D156 PolarHBondContact O-N 3.23Å
153	Q	94.3	Very high	93.7	Very high	51 Å²	51	75.1 Å²	75.1	24%	0.238	37%	0.371	C	S	.	.	H	α-helix	trans	-67.6	-37.9	177.6	-75.8	-174.4	42.6	0	0	112.3	M115 Q149 I150 T151 A155 D156	M115-Q153 HydrophobicContact CE-CB 3.4Å; M115-Q153 HydrophobicContact CE-CG 4.19Å; M115-Q153 HydrophobicContact SD-CB 4.49Å; Q149-Q153 WeakPolarHBondContact O-CB 3.29Å; Q149-Q153 VanDerWaalsContact O-CG 3.3Å; Q149-Q153 WeakPolarHBondContact O-CG 3.29Å; Q149-Q153 PolarHBondContact O-N 3.3Å; I150-Q153 PolarHBondContact O-N 2.75Å; I150-Q153 VanDerWaalsContact O-N 3.15Å; T151-Q153 PolarHBondContact O-N 3.06Å; Q153-A155 VanDerWaalsContact C-N 3.3Å; Q153-A155 PolarHBondContact O-N 3.34Å; Q153-D156 PolarHBondContact O-N 3.45Å
154	L	95.5	Very high	93.5	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-67.2	-30.9	174.8	-71	171.8	0	0	0	112	F104 M115 L119 R122 V137 I150 T151 D156	F104-L154 HydrophobicContact CE1-CD1 3.81Å; F104-L154 HydrophobicContact CZ-CD1 4.06Å; M115-L154 HydrophobicContact CE-CG 4.36Å; M115-L154 HydrophobicContact SD-CD2 3.72Å; M115-L154 HydrophobicContact SD-CG 4Å; L119-L154 HydrophobicContact CD2-CD2 4.12Å; L119-L154 HydrophobicContact CG-CD2 4.22Å; R122-L154 WeakPolarHBondContact CD-O 3.46Å; R122-L154 PolarHBondContact NE-O 3Å; R122-L154 PolarHBondContact NH1-O 2.93Å; V137-L154 HydrophobicContact CG1-CD1 4.28Å; I150-L154 HydrophobicContact CG2-CD1 3.81Å; I150-L154 HydrophobicContact CG2-CG 4.3Å; I150-L154 WeakPolarHBondContact O-CG 3.4Å; I150-L154 PolarHBondContact O-N 2.99Å; T151-L154 PolarHBondContact O-N 3.37Å; L154-D156 VanDerWaalsContact C-N 3.34Å
155	A	95.8	Very high	93.4	Very high	60 Å²	60	83.7 Å²	83.7	50%	0.496	41%	0.41	S	S	.	.	H	α-helix	trans	-74	-23.4	176.5	0	0	0	0	0	113.6	T151 K152 Q153 K157	T151-A155 WeakPolarHBondContact O-CB 3.21Å; T151-A155 PolarHBondContact O-N 3.41Å; K152-A155 PolarHBondContact O-N 3.42Å; Q153-A155 VanDerWaalsContact C-N 3.3Å; Q153-A155 PolarHBondContact O-N 3.34Å; A155-K157 PolarHBondContact O-N 3.49Å; A155-K157 VanDerWaalsContact O-N 3.17Å
156	D	94.6	Very high	93.2	Very high	53 Å²	53	81.2 Å²	81.2	28%	0.283	40%	0.4	S	S	.	.			trans	-77	96.7	178.8	-178.2	-15.4	0	0	0	110.7	K152 Q153 L154 E158 R159 V160	K152-D156 PolarHBondContact O-N 3.23Å; Q153-D156 PolarHBondContact O-N 3.45Å; L154-D156 VanDerWaalsContact C-N 3.34Å; D156-E158 VanDerWaalsContact C-N 3.32Å; D156-E158 PolarHBondContact O-N 3.48Å; D156-E158 PolarHBondContact OD1-N 3.22Å; D156-R159 HydrophobicContact CB-CB 3.89Å; D156-R159 PolarHBondContact O-N 3.34Å; D156-R159 WeakPolarHBondContact OD1-CB 3.11Å; D156-R159 PolarHBondContact OD1-N 2.9Å; D156-R159 WeakPolarHBondContact OD2-CB 3.03Å; D156-R159 IonicContact OD2-CZ 2.75Å; D156-R159 IonicContact OD2-NE 2.69Å; D156-R159 PolarHBondContact OD2-NE 3.41Å; D156-R159 IonicContact OD2-NH2 3.19Å; D156-V160 WeakPolarHBondContact O-CG2 3.28Å; D156-V160 PolarHBondContact O-N 3.28Å
157	K	92.1	Very high	93.1	Very high	151 Å²	151	79.4 Å²	79.4	66%	0.657	40%	0.404	S	S	*	.	H	α-helix	trans	-61.3	-37.4	-175.5	-65.4	-177.1	-179.1	-178.3	0	113.1	A155 V160 A161	A155-K157 PolarHBondContact O-N 3.49Å; A155-K157 VanDerWaalsContact O-N 3.17Å; K157-V160 PolarHBondContact O-N 2.83Å; K157-A161 WeakPolarHBondContact O-CB 3.47Å; K157-A161 PolarHBondContact O-N 3.02Å
158	E	94	Very high	92.8	Very high	165 Å²	165	78.2 Å²	78.2	77%	0.771	40%	0.398	S	S	*	.	H	α-helix	trans	-68.3	-43.4	-179.8	-66.3	-175.5	175.8	0	0	110.4	D156 A161 A162	D156-E158 VanDerWaalsContact C-N 3.32Å; D156-E158 PolarHBondContact O-N 3.48Å; D156-E158 PolarHBondContact OD1-N 3.22Å; E158-A161 PolarHBondContact O-N 2.75Å; E158-A162 WeakPolarHBondContact O-CB 3.47Å; E158-A162 PolarHBondContact O-N 3.2Å
159	R	90.8	Very high	92.6	Very high	130 Å²	130	72.1 Å²	72.1	49%	0.491	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-43	174.9	-175.4	-175	-57.9	-126.1	-6.7	112.5	D156 A162 A163	D156-R159 HydrophobicContact CB-CB 3.89Å; D156-R159 PolarHBondContact O-N 3.34Å; D156-R159 WeakPolarHBondContact OD1-CB 3.11Å; D156-R159 PolarHBondContact OD1-N 2.9Å; D156-R159 WeakPolarHBondContact OD2-CB 3.03Å; D156-R159 IonicContact OD2-CZ 2.75Å; D156-R159 IonicContact OD2-NE 2.69Å; D156-R159 PolarHBondContact OD2-NE 3.41Å; D156-R159 IonicContact OD2-NH2 3.19Å; R159-A162 PolarHBondContact O-N 3.24Å; R159-A163 WeakPolarHBondContact O-CB 3.36Å; R159-A163 PolarHBondContact O-N 2.81Å
160	V	91.3	Very high	92.4	Very high	12 Å²	12	70.2 Å²	70.2	7%	0.073	36%	0.364	C	S	.	.	H	α-helix	trans	-62.4	-44.6	176.3	169.6	0	0	0	0	110.7	L119 D156 K157 A163 L164	L119-V160 HydrophobicContact CD2-CB 4.36Å; L119-V160 HydrophobicContact CD2-CG1 3.89Å; L119-V160 HydrophobicContact CD2-CG2 4Å; D156-V160 WeakPolarHBondContact O-CG2 3.28Å; D156-V160 PolarHBondContact O-N 3.28Å; K157-V160 PolarHBondContact O-N 2.83Å; V160-A163 PolarHBondContact O-N 3.02Å; V160-L164 HydrophobicContact CG1-CD1 4.04Å; V160-L164 WeakPolarHBondContact O-CG 3.45Å; V160-L164 PolarHBondContact O-N 2.84Å
161	A	90.7	Very high	92.3	Very high	49 Å²	49	74.9 Å²	74.9	41%	0.405	39%	0.385	S	S	.	.	H	α-helix	trans	-60.5	-49.1	176.7	0	0	0	0	0	111.5	K157 E158 A163 L164 E165	K157-A161 WeakPolarHBondContact O-CB 3.47Å; K157-A161 PolarHBondContact O-N 3.02Å; E158-A161 PolarHBondContact O-N 2.75Å; A161-A163 VanDerWaalsContact C-N 3.28Å; A161-A163 PolarHBondContact O-N 2.69Å; A161-L164 PolarHBondContact O-N 3.32Å; A161-L164 VanDerWaalsContact O-N 3.09Å; A161-E165 PolarHBondContact O-N 2.81Å
162	A	91.8	Very high	92	Very high	54 Å²	54	74.7 Å²	74.7	45%	0.446	38%	0.382	S	S	.	.	H	α-helix	trans	-61	-35.1	177.3	0	0	0	0	0	112.8	E158 R159	E158-A162 WeakPolarHBondContact O-CB 3.47Å; E158-A162 PolarHBondContact O-N 3.2Å; R159-A162 PolarHBondContact O-N 3.24Å
163	A	89.6	Confident	91.9	Very high	20 Å²	20	66.8 Å²	66.8	17%	0.165	35%	0.348	C	S	.	.	H	α-helix	trans	-66.1	-42.7	173.8	0	0	0	0	0	111.8	R159 V160 A161 E165 R166 I169	R159-A163 WeakPolarHBondContact O-CB 3.36Å; R159-A163 PolarHBondContact O-N 2.81Å; V160-A163 PolarHBondContact O-N 3.02Å; A161-A163 VanDerWaalsContact C-N 3.28Å; A161-A163 PolarHBondContact O-N 2.69Å; A163-E165 VanDerWaalsContact C-N 3.29Å; A163-E165 PolarHBondContact O-N 2.91Å; A163-R166 WeakPolarHBondContact O-CB 3.34Å; A163-R166 PolarHBondContact O-N 2.81Å; A163-I169 HydrophobicContact CB-CD1 4.16Å; A163-I169 WeakPolarHBondContact O-CB 3.49Å
164	L	90.6	Very high	91.8	Very high	44 Å²	44	66.9 Å²	66.9	23%	0.23	35%	0.35	C	S	.	.	H	α-helix	trans	-73.2	-14.9	179.6	-68.7	175.5	0	0	0	114	V160 A161 R166 V173	V160-L164 HydrophobicContact CG1-CD1 4.04Å; V160-L164 WeakPolarHBondContact O-CG 3.45Å; V160-L164 PolarHBondContact O-N 2.84Å; A161-L164 PolarHBondContact O-N 3.32Å; A161-L164 VanDerWaalsContact O-N 3.09Å; L164-R166 VanDerWaalsContact C-N 3.3Å; L164-V173 HydrophobicContact CD2-CB 4.49Å; L164-V173 HydrophobicContact CD2-CG1 4.41Å; L164-V173 HydrophobicContact CD2-CG2 4.02Å
165	E	91	Very high	91.6	Very high	165 Å²	165	72 Å²	72	77%	0.771	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-18.4	169.5	-72.7	-178.6	171.4	0	0	113	A161 A163 A167	A161-E165 PolarHBondContact O-N 2.81Å; A163-E165 VanDerWaalsContact C-N 3.29Å; A163-E165 PolarHBondContact O-N 2.91Å; E165-A167 PolarHBondContact O-N 2.66Å
166	R	91.2	Very high	91.5	Very high	140 Å²	140	69.4 Å²	69.4	53%	0.528	35%	0.352	S	S	.	.	S	Bend	trans	-77.3	116.3	177.8	-62.3	174.1	58.3	-178.1	1.5	109.5	A163 L164 N168 I169 L170	A163-R166 WeakPolarHBondContact O-CB 3.34Å; A163-R166 PolarHBondContact O-N 2.81Å; L164-R166 VanDerWaalsContact C-N 3.3Å; R166-N168 WeakPolarHBondContact CB-OD1 3.43Å; R166-N168 PolarHBondContact O-N 3.34Å; R166-N168 VanDerWaalsContact O-N 3.09Å; R166-I169 HydrophobicContact CB-CB 4.42Å; R166-I169 HydrophobicContact CB-CD1 4.29Å; R166-I169 HydrophobicContact CB-CG1 4.26Å; R166-I169 PolarHBondContact O-N 3.05Å; R166-L170 PolarHBondContact O-N 3.27Å
167	A	91.1	Very high	91.4	Very high	67 Å²	67	67.7 Å²	67.7	55%	0.554	34%	0.343	S	S	*	.	H	α-helix	trans	-49.3	-41.9	-175.3	0	0	0	0	0	113.8	E165 L170 E171	E165-A167 PolarHBondContact O-N 2.66Å; A167-L170 PolarHBondContact O-N 2.75Å; A167-E171 WeakPolarHBondContact O-CB 3.48Å; A167-E171 PolarHBondContact O-N 2.93Å
168	N	88.4	Confident	91.2	Very high	19 Å²	19	69.2 Å²	69.2	10%	0.102	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-40.2	-179.8	66.8	-54.7	0	0	0	112.9	R166 L172	R166-N168 WeakPolarHBondContact CB-OD1 3.43Å; R166-N168 PolarHBondContact O-N 3.34Å; R166-N168 VanDerWaalsContact O-N 3.09Å; N168-L172 WeakPolarHBondContact O-CG 3.28Å; N168-L172 PolarHBondContact O-N 3.04Å
169	I	90	Very high	90	Very high	27 Å²	27	64.6 Å²	64.6	14%	0.138	33%	0.331	C	S	.	.	H	α-helix	trans	-71.5	-44.3	177.4	-61.2	-177.1	0	0	0	109.3	L119 A163 R166 E171 L172 V173	L119-I169 HydrophobicContact CD1-CG2 4.22Å; A163-I169 HydrophobicContact CB-CD1 4.16Å; A163-I169 WeakPolarHBondContact O-CB 3.49Å; R166-I169 HydrophobicContact CB-CB 4.42Å; R166-I169 HydrophobicContact CB-CD1 4.29Å; R166-I169 HydrophobicContact CB-CG1 4.26Å; R166-I169 PolarHBondContact O-N 3.05Å; I169-E171 VanDerWaalsContact C-N 3.31Å; I169-E171 PolarHBondContact O-N 2.77Å; I169-L172 PolarHBondContact O-N 2.82Å; I169-V173 HydrophobicContact CG2-CG2 4.22Å; I169-V173 WeakPolarHBondContact O-CB 3.28Å; I169-V173 VanDerWaalsContact O-CG2 3.3Å; I169-V173 WeakPolarHBondContact O-CG2 3.35Å; I169-V173 PolarHBondContact O-N 3.46Å
170	L	91.6	Very high	88.5	Confident	62 Å²	62	65 Å²	65	33%	0.325	34%	0.336	S	S	.	.	H	α-helix	trans	-60.7	-40.6	179.7	-175.4	59.7	0	0	0	112.2	R166 A167 N174	R166-L170 PolarHBondContact O-N 3.27Å; A167-L170 PolarHBondContact O-N 2.75Å; L170-N174 VanDerWaalsContact O-CB 3.3Å; L170-N174 WeakPolarHBondContact O-CB 3.18Å; L170-N174 PolarHBondContact O-N 3.04Å; L170-N174 PolarHBondContact O-ND2 3.11Å; L170-N174 VanDerWaalsContact O-ND2 3.14Å
171	E	92.5	Very high	86	Confident	106 Å²	106	75.3 Å²	75.3	50%	0.495	39%	0.391	S	S	.	.	H	α-helix	trans	-64	-47.2	177.1	-174.7	170.5	-170.9	0	0	111.8	F22 A167 I169 V173 N174 Q175	F22-E171 HydrophobicContact CE2-CG 4.39Å; F22-E171 WeakPolarHBondContact CE2-OE2 3.27Å; F22-E171 HydrophobicContact CZ-CG 4.42Å; A167-E171 WeakPolarHBondContact O-CB 3.48Å; A167-E171 PolarHBondContact O-N 2.93Å; I169-E171 VanDerWaalsContact C-N 3.31Å; I169-E171 PolarHBondContact O-N 2.77Å; E171-V173 PolarHBondContact O-N 3.01Å; E171-N174 PolarHBondContact O-N 3.23Å; E171-Q175 WeakPolarHBondContact O-CB 3.46Å; E171-Q175 PolarHBondContact O-N 3.16Å
172	L	90.5	Very high	85.8	Confident	28 Å²	28	76.7 Å²	76.7	15%	0.147	39%	0.39	C	S	.	.	H	α-helix	trans	-61.4	-45	175.9	-71.5	171	0	0	0	111.9	L116 N168 I169 N174 Q175 C176	L116-L172 HydrophobicContact CD1-CB 4.45Å; L116-L172 HydrophobicContact CD2-CB 4.35Å; L116-L172 HydrophobicContact CD2-CD1 4.3Å; N168-L172 WeakPolarHBondContact O-CG 3.28Å; N168-L172 PolarHBondContact O-N 3.04Å; I169-L172 PolarHBondContact O-N 2.82Å; L172-N174 VanDerWaalsContact C-N 3.35Å; L172-N174 PolarHBondContact O-N 3.36Å; L172-Q175 WeakPolarHBondContact O-CB 3.46Å; L172-Q175 PolarHBondContact O-N 2.86Å; L172-C176 PolarHBondContact O-N 2.69Å; L172-C176 PolarHBondContact O-SG 3.32Å
173	V	92.7	Very high	85.5	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-59.4	-48.6	175.2	169.1	0	0	0	0	109.9	L116 L119 A123 L164 I169 E171 Q175 C176 L177	L116-V173 HydrophobicContact CD1-CG2 3.94Å; L119-V173 HydrophobicContact CB-CG2 4.46Å; A123-V173 HydrophobicContact CB-CG1 3.6Å; L164-V173 HydrophobicContact CD2-CB 4.49Å; L164-V173 HydrophobicContact CD2-CG1 4.41Å; L164-V173 HydrophobicContact CD2-CG2 4.02Å; I169-V173 HydrophobicContact CG2-CG2 4.22Å; I169-V173 WeakPolarHBondContact O-CB 3.28Å; I169-V173 VanDerWaalsContact O-CG2 3.3Å; I169-V173 WeakPolarHBondContact O-CG2 3.35Å; I169-V173 PolarHBondContact O-N 3.46Å; E171-V173 PolarHBondContact O-N 3.01Å; V173-Q175 VanDerWaalsContact C-N 3.29Å; V173-Q175 PolarHBondContact O-N 2.69Å; V173-C176 PolarHBondContact O-N 2.84Å; V173-C176 VanDerWaalsContact O-N 3.14Å; V173-L177 HydrophobicContact CG1-CD1 3.88Å; V173-L177 HydrophobicContact CG1-CG 4.23Å; V173-L177 VanDerWaalsContact O-CG 3.23Å; V173-L177 WeakPolarHBondContact O-CG 3.49Å; V173-L177 PolarHBondContact O-N 3.28Å
174	N	92.3	Very high	85.3	Confident	52 Å²	52	81.1 Å²	81.1	28%	0.278	40%	0.399	S	S	.	.	H	α-helix	trans	-60.7	-37.5	177.9	-76.2	-31.3	0	0	0	112.7	R127 L170 E171 L172 L177 R178	R127-N174 PolarHBondContact NH1-OD1 3.32Å; R127-N174 PolarHBondContact NH2-OD1 3.33Å; L170-N174 VanDerWaalsContact O-CB 3.3Å; L170-N174 WeakPolarHBondContact O-CB 3.18Å; L170-N174 PolarHBondContact O-N 3.04Å; L170-N174 PolarHBondContact O-ND2 3.11Å; L170-N174 VanDerWaalsContact O-ND2 3.14Å; E171-N174 PolarHBondContact O-N 3.23Å; L172-N174 VanDerWaalsContact C-N 3.35Å; L172-N174 PolarHBondContact O-N 3.36Å; N174-L177 PolarHBondContact O-N 3.2Å; N174-R178 WeakPolarHBondContact O-CG 3.43Å; N174-R178 PolarHBondContact O-N 3.33Å
175	Q	91.3	Very high	85	Confident	107 Å²	107	83.2 Å²	83.2	50%	0.5	41%	0.409	S	S	.	.	H	α-helix	trans	-62.6	-45.9	174.1	178.8	179.4	-12.7	0	0	111.4	E171 L172 V173 L177 R178	E171-Q175 WeakPolarHBondContact O-CB 3.46Å; E171-Q175 PolarHBondContact O-N 3.16Å; L172-Q175 WeakPolarHBondContact O-CB 3.46Å; L172-Q175 PolarHBondContact O-N 2.86Å; V173-Q175 VanDerWaalsContact C-N 3.29Å; V173-Q175 PolarHBondContact O-N 2.69Å; Q175-L177 PolarHBondContact O-N 3.04Å; Q175-R178 PolarHBondContact O-N 3.17Å
176	C	93	Very high	84.6	Confident	6 Å²	6	78.1 Å²	78.1	4%	0.041	39%	0.387	C	S	.	.	H	α-helix	trans	-61.9	-34.6	177.1	-61.7	0	0	0	0	111.8	I71 N72 C120 L172 V173	I71-C176 HydrophobicContact CG2-CB 4.22Å; N72-C176 PolarHBondContact N-O 2.94Å; N72-C176 PolarHBondContact ND2-O 3.48Å; N72-C176 WeakPolarHBondContact O-CB 3.37Å; C120-C176 HydrophobicContact CB-CB 4.27Å; C120-C176 WeakPolarHBondContact SG-CB 3.46Å; C120-C176 VanDerWaalsContact SG-SG 3.7Å; L172-C176 PolarHBondContact O-N 2.69Å; L172-C176 PolarHBondContact O-SG 3.32Å; V173-C176 PolarHBondContact O-N 2.84Å; V173-C176 VanDerWaalsContact O-N 3.14Å
177	L	93	Very high	84.1	Confident	18 Å²	18	74 Å²	74	9%	0.094	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.3	-178.3	-63.1	-173.1	0	0	0	115.1	I71 C120 A123 K124 V173 N174 Q175 S179	I71-L177 HydrophobicContact CD1-CD2 4.1Å; I71-L177 HydrophobicContact CG1-CD2 3.85Å; I71-L177 HydrophobicContact CG2-CD2 4.3Å; C120-L177 HydrophobicContact CB-CD2 4.46Å; A123-L177 HydrophobicContact CB-CD1 3.96Å; K124-L177 HydrophobicContact CB-CD2 3.77Å; K124-L177 HydrophobicContact CD-CD2 4.16Å; K124-L177 HydrophobicContact CG-CD2 4.34Å; V173-L177 HydrophobicContact CG1-CD1 3.88Å; V173-L177 HydrophobicContact CG1-CG 4.23Å; V173-L177 VanDerWaalsContact O-CG 3.23Å; V173-L177 WeakPolarHBondContact O-CG 3.49Å; V173-L177 PolarHBondContact O-N 3.28Å; N174-L177 PolarHBondContact O-N 3.2Å; Q175-L177 PolarHBondContact O-N 3.04Å; L177-S179 PolarHBondContact O-N 3.29Å
178	R	87.8	Confident	83.6	Confident	183 Å²	183	74.5 Å²	74.5	69%	0.691	37%	0.365	S	S	*	.			trans	-71.5	111.1	172.9	-75.5	171.9	-171.9	-166	3.2	109	N72 N174 Q175 K180	N72-R178 PolarHBondContact ND2-O 3.31Å; N174-R178 WeakPolarHBondContact O-CG 3.43Å; N174-R178 PolarHBondContact O-N 3.33Å; Q175-R178 PolarHBondContact O-N 3.17Å; R178-K180 PolarHBondContact O-N 2.94Å
179	S	68.8	Low	83.3	Confident	67 Å²	67	78.8 Å²	78.8	47%	0.469	39%	0.385	S	S	.	.			trans	-57.9	126.2	168.2	-57.3	0	0	0	0	108.6	L177	L177-S179 PolarHBondContact O-N 3.29Å
180	K	60.2	Low	82.7	Confident	140 Å²	140	83.1 Å²	83.1	61%	0.609	41%	0.406	S	S	*	.			trans	-86.6	106.4	160.4	-66.1	179.5	-172.9	167.8	0	105	R178	R178-K180 PolarHBondContact O-N 2.94Å
181	D	38.7	Very low	81.9	Confident	228 Å²	228	85 Å²	85	100%	1.219	41%	0.413	S	S	*	.			trans	-61.7	0	168.8	-62.7	-35.2	0	0	0	110.5

Retrieved 181 of 181 residues in 83.1 ms (Link to these results)

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