A0A077ZH00_TRITR Loading...

Histone H3

AlphaFold DB , UniProt , Accession A0A077ZH00, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 164 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	42	Very low	41.1	Very low	240 Å²	240	161 Å²	161	100%	1.182	85%	0.847	S	S	*	*				0	98.4	0	-82.9	170.6	141.3	0	0	108.6	V3	M1-V3 PolarHBondContact O-N 3.09Å
2	A	42.8	Very low	41.2	Very low	97 Å²	97	153.9 Å²	153.9	80%	0.802	82%	0.82	S	S	*	*			trans	-83.8	106.1	175.2	0	0	0	0	0	108.3	T4	A2-T4 PolarHBondContact O-N 3.41Å; A2-T4 VanDerWaalsContact O-N 3.09Å
3	V	45.5	Very low	41.8	Very low	129 Å²	129	147.5 Å²	147.5	78%	0.782	79%	0.792	S	S	*	*			trans	-76	95.1	175.5	178.9	0	0	0	0	107.3	M1 R5	M1-V3 PolarHBondContact O-N 3.09Å; V3-R5 PolarHBondContact O-N 3.08Å
4	T	47.7	Very low	42.2	Very low	128 Å²	128	146.6 Å²	146.6	79%	0.785	78%	0.781	S	S	*	*			trans	-68.7	97.5	168.4	51.7	0	0	0	0	107.8	A2 S6	A2-T4 PolarHBondContact O-N 3.41Å; A2-T4 VanDerWaalsContact O-N 3.09Å; T4-S6 PolarHBondContact O-N 3.21Å
5	R	41.8	Very low	42.6	Very low	229 Å²	229	141.4 Å²	141.4	86%	0.864	77%	0.766	S	S	*	*			trans	-63.7	101.8	165.5	-84.8	-179.8	171.4	178.3	-1.9	107.3	V3 E7	V3-R5 PolarHBondContact O-N 3.08Å; R5-E7 PolarHBondContact O-N 3.39Å
6	S	40.8	Very low	43.1	Very low	104 Å²	104	134.8 Å²	134.8	73%	0.727	74%	0.741	S	S	*	*			trans	-57.8	105.5	163.3	43.8	0	0	0	0	107.7	T4 D8	T4-S6 PolarHBondContact O-N 3.21Å; S6-D8 PolarHBondContact O-N 3.18Å
7	E	39.5	Very low	43.9	Very low	185 Å²	185	128.2 Å²	128.2	86%	0.864	71%	0.707	S	S	*	*			trans	-60.4	106.4	168.9	-68.1	-163.2	151.2	0	0	107.9	R5 K9	R5-E7 PolarHBondContact O-N 3.39Å; E7-K9 PolarHBondContact O-N 3.5Å
8	D	37.8	Very low	44.8	Very low	150 Å²	150	126 Å²	126	80%	0.802	70%	0.698	S	S	*	*			trans	-52.2	110.2	166.8	-82.1	-46.7	0	0	0	107.7	S6 K10	S6-D8 PolarHBondContact O-N 3.18Å; D8-K10 PolarHBondContact O-N 3.1Å
9	K	37.4	Very low	45.9	Very low	206 Å²	206	122 Å²	122	90%	0.896	68%	0.679	S	S	*	*			trans	-56.9	86	164.6	-80	179	175.5	174.6	0	107.3	E7 S11	E7-K9 PolarHBondContact O-N 3.5Å; K9-S11 PolarHBondContact O-N 3.43Å
10	K	37.6	Very low	47.1	Very low	193 Å²	193	121.7 Å²	121.7	84%	0.839	67%	0.672	S	S	*	*			trans	-57.7	98.7	163.4	-114.1	175.1	-176.9	171.3	0	105.5	D8 S12	D8-K10 PolarHBondContact O-N 3.1Å; K10-S12 PolarHBondContact O-N 2.99Å
11	S	38.8	Very low	48.2	Very low	110 Å²	110	118.8 Å²	118.8	77%	0.769	65%	0.651	S	S	*	*			trans	-46.8	110.6	173.4	42.2	0	0	0	0	108.2	K9	K9-S11 PolarHBondContact O-N 3.43Å
12	S	43.1	Very low	49.8	Very low	76 Å²	76	110.5 Å²	110.5	53%	0.531	61%	0.614	S	S	.	*			trans	-52	127.7	-175.4	-67.6	0	0	0	0	110.2	K10 E14 A15	K10-S12 PolarHBondContact O-N 2.99Å; S12-E14 PolarHBondContact O-N 3.33Å; S12-A15 PolarHBondContact O-N 3.02Å; S12-A15 VanDerWaalsContact O-N 3.09Å
13	P	48	Very low	51.3	Low	70 Å²	70	112.3 Å²	112.3	46%	0.455	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.7	-7.4	179.6	-23.9	33.9	0	0	0	114.3	A15 G16 S17	P13-A15 PolarHBondContact O-N 3.05Å; P13-G16 WeakPolarHBondContact O-CA 3.39Å; P13-G16 PolarHBondContact O-N 3.02Å; P13-S17 PolarHBondContact O-N 3.38Å
14	E	48.7	Very low	52.7	Low	136 Å²	136	107.1 Å²	107.1	64%	0.636	57%	0.572	S	S	*	*	H	α-helix	trans	-53	-43.7	169.1	-65.7	-168.1	152.8	0	0	111.4	S12 G16 S17 V18	S12-E14 PolarHBondContact O-N 3.33Å; E14-G16 PolarHBondContact O-N 2.95Å; E14-S17 PolarHBondContact O-N 3.22Å; E14-S17 VanDerWaalsContact O-N 3.17Å; E14-S17 PolarHBondContact O-OG 3.24Å; E14-V18 WeakPolarHBondContact O-CG2 3.36Å; E14-V18 PolarHBondContact O-N 3.15Å
15	A	47	Very low	54	Low	68 Å²	68	106.7 Å²	106.7	56%	0.562	56%	0.561	S	S	*	*	H	α-helix	trans	-59.5	-35.3	175.9	0	0	0	0	0	111.3	S12 P13 S19	S12-A15 PolarHBondContact O-N 3.02Å; S12-A15 VanDerWaalsContact O-N 3.09Å; P13-A15 PolarHBondContact O-N 3.05Å; A15-S19 WeakPolarHBondContact O-CA 3.41Å; A15-S19 WeakPolarHBondContact O-CB 3.04Å; A15-S19 PolarHBondContact O-N 3.4Å
16	G	51.8	Low	55.5	Low	35 Å²	35	99.9 Å²	99.9	36%	0.361	54%	0.539	S	S	.	.	H	α-helix	trans	-62.8	-48.4	175.4	0	0	0	0	0	112.6	P13 E14 S19 Q20	P13-G16 WeakPolarHBondContact O-CA 3.39Å; P13-G16 PolarHBondContact O-N 3.02Å; E14-G16 PolarHBondContact O-N 2.95Å; G16-S19 PolarHBondContact O-N 3.4Å; G16-Q20 WeakPolarHBondContact O-CB 3.47Å; G16-Q20 WeakPolarHBondContact O-CG 3.47Å; G16-Q20 PolarHBondContact O-N 3.34Å
17	S	56.7	Low	57.1	Low	23 Å²	23	101.6 Å²	101.6	16%	0.161	53%	0.533	C	S	.	.	H	α-helix	trans	-69.5	-42	-178.2	70.6	0	0	0	0	113	P13 E14 S19 Q20 R21	P13-S17 PolarHBondContact O-N 3.38Å; E14-S17 PolarHBondContact O-N 3.22Å; E14-S17 VanDerWaalsContact O-N 3.17Å; E14-S17 PolarHBondContact O-OG 3.24Å; S17-S19 VanDerWaalsContact C-N 3.35Å; S17-Q20 PolarHBondContact O-N 3.1Å; S17-R21 WeakPolarHBondContact O-CG 3.27Å; S17-R21 PolarHBondContact O-N 2.97Å
18	V	59.6	Low	58.5	Low	89 Å²	89	92.8 Å²	92.8	54%	0.539	49%	0.492	S	S	.	.	H	α-helix	trans	-67	-42.2	176.3	179	0	0	0	0	109.2	E14 Q20 R21 V22	E14-V18 WeakPolarHBondContact O-CG2 3.36Å; E14-V18 PolarHBondContact O-N 3.15Å; V18-Q20 PolarHBondContact O-N 2.98Å; V18-R21 PolarHBondContact O-N 2.73Å; V18-V22 HydrophobicContact CG1-CG2 4.24Å; V18-V22 WeakPolarHBondContact O-CB 3.38Å; V18-V22 VanDerWaalsContact O-CG2 3.23Å; V18-V22 WeakPolarHBondContact O-CG2 3.5Å; V18-V22 PolarHBondContact O-N 3.44Å
19	S	66.1	Low	60.2	Low	50 Å²	50	91.9 Å²	91.9	35%	0.35	48%	0.478	S	S	.	.	H	α-helix	trans	-62.4	-42.8	176	-174.9	0	0	0	0	112.3	A15 G16 S17 R21 V22 K23	A15-S19 WeakPolarHBondContact O-CA 3.41Å; A15-S19 WeakPolarHBondContact O-CB 3.04Å; A15-S19 PolarHBondContact O-N 3.4Å; G16-S19 PolarHBondContact O-N 3.4Å; S17-S19 VanDerWaalsContact C-N 3.35Å; S19-R21 VanDerWaalsContact C-N 3.35Å; S19-R21 PolarHBondContact O-N 3.3Å; S19-V22 PolarHBondContact O-N 3.4Å; S19-K23 WeakPolarHBondContact O-CB 3.47Å; S19-K23 VanDerWaalsContact O-CG 3.22Å; S19-K23 WeakPolarHBondContact O-CG 3.32Å; S19-K23 PolarHBondContact O-N 2.96Å
20	Q	68.9	Low	61.6	Low	116 Å²	116	83.4 Å²	83.4	54%	0.542	45%	0.449	S	S	.	.	H	α-helix	trans	-59.6	-45.6	175.3	-79	171.1	-13.7	0	0	111.2	G16 S17 V18 K23 L24	G16-Q20 WeakPolarHBondContact O-CB 3.47Å; G16-Q20 WeakPolarHBondContact O-CG 3.47Å; G16-Q20 PolarHBondContact O-N 3.34Å; S17-Q20 PolarHBondContact O-N 3.1Å; V18-Q20 PolarHBondContact O-N 2.98Å; Q20-K23 PolarHBondContact O-N 2.94Å; Q20-L24 WeakPolarHBondContact O-CB 3.41Å; Q20-L24 PolarHBondContact O-N 2.95Å
21	R	71.5	Confident	62.8	Low	60 Å²	60	81.4 Å²	81.4	23%	0.226	44%	0.44	C	S	.	.	H	α-helix	trans	-66.3	-42.6	177.3	-73.9	-179	-179.3	-152.9	3.3	113.6	S17 V18 S19 K23 L24 Q25 L87 L88 I89 P90	S17-R21 WeakPolarHBondContact O-CG 3.27Å; S17-R21 PolarHBondContact O-N 2.97Å; V18-R21 PolarHBondContact O-N 2.73Å; S19-R21 VanDerWaalsContact C-N 3.35Å; S19-R21 PolarHBondContact O-N 3.3Å; R21-K23 VanDerWaalsContact C-N 3.3Å; R21-K23 PolarHBondContact O-N 3.25Å; R21-L24 PolarHBondContact O-N 2.97Å; R21-Q25 WeakPolarHBondContact O-CB 3.19Å; R21-Q25 WeakPolarHBondContact O-CG 3.49Å; R21-Q25 PolarHBondContact O-N 3.03Å; R21-L87 PolarHBondContact NE-O 3.23Å; R21-L87 PolarHBondContact NH2-O 3.04Å; R21-L88 PolarHBondContact NH1-O 3.06Å; R21-L88 VanDerWaalsContact NH1-O 3.13Å; R21-L88 PolarHBondContact NH2-O 2.51Å; R21-I89 PolarHBondContact NH2-O 3.22Å; R21-P90 VanDerWaalsContact NH1-CB 3.34Å
22	V	74.5	Confident	63.4	Low	66 Å²	66	81.7 Å²	81.7	40%	0.4	44%	0.437	S	S	.	.	H	α-helix	trans	-60	-45.3	176.1	169.6	0	0	0	0	109.5	V18 S19 L24 Q25 E26	V18-V22 HydrophobicContact CG1-CG2 4.24Å; V18-V22 WeakPolarHBondContact O-CB 3.38Å; V18-V22 VanDerWaalsContact O-CG2 3.23Å; V18-V22 WeakPolarHBondContact O-CG2 3.5Å; V18-V22 PolarHBondContact O-N 3.44Å; S19-V22 PolarHBondContact O-N 3.4Å; V22-L24 VanDerWaalsContact C-N 3.34Å; V22-L24 PolarHBondContact O-N 3.26Å; V22-Q25 PolarHBondContact O-N 3.42Å; V22-E26 WeakPolarHBondContact O-CB 3.33Å; V22-E26 WeakPolarHBondContact O-CG 3.35Å; V22-E26 PolarHBondContact O-N 3.43Å
23	K	75.7	Confident	63.6	Low	135 Å²	135	86.2 Å²	86.2	59%	0.587	45%	0.449	S	S	*	.	H	α-helix	trans	-61.6	-40.4	174.9	-72	174	-178.3	-176.5	0	112.3	S19 Q20 R21 K27	S19-K23 WeakPolarHBondContact O-CB 3.47Å; S19-K23 VanDerWaalsContact O-CG 3.22Å; S19-K23 WeakPolarHBondContact O-CG 3.32Å; S19-K23 PolarHBondContact O-N 2.96Å; Q20-K23 PolarHBondContact O-N 2.94Å; R21-K23 VanDerWaalsContact C-N 3.3Å; R21-K23 PolarHBondContact O-N 3.25Å; K23-K27 WeakPolarHBondContact O-CB 3.44Å; K23-K27 PolarHBondContact O-N 3.03Å
24	L	74.2	Confident	63.5	Low	20 Å²	20	93.7 Å²	93.7	11%	0.105	47%	0.469	C	S	.	.	H	α-helix	trans	-66.4	-45.9	177.9	-153.5	176.4	0	0	0	110.7	Q20 R21 V22 K27 L28 I80 Y81 E86	Q20-L24 WeakPolarHBondContact O-CB 3.41Å; Q20-L24 PolarHBondContact O-N 2.95Å; R21-L24 PolarHBondContact O-N 2.97Å; V22-L24 VanDerWaalsContact C-N 3.34Å; V22-L24 PolarHBondContact O-N 3.26Å; L24-K27 WeakPolarHBondContact O-CB 3.44Å; L24-K27 PolarHBondContact O-N 3.21Å; L24-L28 HydrophobicContact CD2-CD1 3.27Å; L24-L28 HydrophobicContact CD2-CG 3.66Å; L24-L28 WeakPolarHBondContact O-CG 3.43Å; L24-L28 PolarHBondContact O-N 3.26Å; L24-I80 HydrophobicContact CD2-CG2 3.68Å; L24-I80 HydrophobicContact CG-CG2 4.08Å; L24-Y81 HydrophobicContact CD1-CD1 4.24Å; L24-Y81 HydrophobicContact CD1-CE1 3.74Å; L24-Y81 HydrophobicContact CD2-CE1 3.73Å; L24-Y81 HydrophobicContact CG-CE1 4.42Å; L24-E86 HydrophobicContact CD1-CG 4.25Å; L24-E86 WeakPolarHBondContact CD1-OE1 3.3Å
25	Q	74.3	Confident	63.2	Low	119 Å²	119	95.6 Å²	95.6	56%	0.556	48%	0.477	S	S	*	.	H	α-helix	trans	-60.8	-44.9	174.9	-78.8	-174.8	-39.1	0	0	112.3	R21 V22 K27 L28 Y29	R21-Q25 WeakPolarHBondContact O-CB 3.19Å; R21-Q25 WeakPolarHBondContact O-CG 3.49Å; R21-Q25 PolarHBondContact O-N 3.03Å; V22-Q25 PolarHBondContact O-N 3.42Å; Q25-K27 VanDerWaalsContact C-N 3.28Å; Q25-K27 PolarHBondContact O-N 2.98Å; Q25-L28 PolarHBondContact O-N 3.39Å; Q25-Y29 PolarHBondContact O-N 3.12Å
26	E	74.6	Confident	63.1	Low	86 Å²	86	101 Å²	101	40%	0.402	49%	0.488	S	S	.	.	H	α-helix	trans	-61	-37.8	175.1	-76.5	-170.4	151.1	0	0	111.6	V22 G30	V22-E26 WeakPolarHBondContact O-CB 3.33Å; V22-E26 WeakPolarHBondContact O-CG 3.35Å; V22-E26 PolarHBondContact O-N 3.43Å; E26-G30 CarbonylContact O-C 3.6Å; E26-G30 WeakPolarHBondContact O-CA 3.31Å; E26-G30 PolarHBondContact O-N 2.99Å
27	K	72.8	Confident	62.7	Low	140 Å²	140	106.8 Å²	106.8	61%	0.609	51%	0.506	S	S	*	.	H	α-helix	trans	-69.5	-34.9	176.5	-169	177.3	-176.7	179.2	0	112.5	K23 L24 Q25 Q76 I80	K23-K27 WeakPolarHBondContact O-CB 3.44Å; K23-K27 PolarHBondContact O-N 3.03Å; L24-K27 WeakPolarHBondContact O-CB 3.44Å; L24-K27 PolarHBondContact O-N 3.21Å; Q25-K27 VanDerWaalsContact C-N 3.28Å; Q25-K27 PolarHBondContact O-N 2.98Å; K27-Q76 PolarHBondContact O-NE2 3.4Å; K27-I80 HydrophobicContact CD-CD1 4.38Å; K27-I80 HydrophobicContact CG-CD1 4.3Å
28	L	69.7	Low	62.2	Low	1 Å²	1	112.5 Å²	112.5	1%	0.005	53%	0.534	C	S	.	.	H	α-helix	trans	-76.6	-58.1	-179.3	-76	176.4	0	0	0	112.8	L24 Q25 E77 I80 Y81	L24-L28 HydrophobicContact CD2-CD1 3.27Å; L24-L28 HydrophobicContact CD2-CG 3.66Å; L24-L28 WeakPolarHBondContact O-CG 3.43Å; L24-L28 PolarHBondContact O-N 3.26Å; Q25-L28 PolarHBondContact O-N 3.39Å; L28-E77 HydrophobicContact CD1-CG 4.07Å; L28-E77 HydrophobicContact CD2-CB 4.24Å; L28-E77 HydrophobicContact CD2-CG 3.52Å; L28-E77 HydrophobicContact CG-CG 4.37Å; L28-I80 HydrophobicContact CD2-CB 4.36Å; L28-I80 HydrophobicContact CD2-CD1 3.34Å; L28-I80 HydrophobicContact CD2-CG1 4.42Å; L28-I80 HydrophobicContact CG-CD1 4.16Å; L28-Y81 HydrophobicContact CD1-CE2 4.4Å; L28-Y81 WeakPolarHBondContact CD1-OH 3.31Å
29	Y	72.5	Confident	61.5	Low	131 Å²	131	116 Å²	116	51%	0.514	55%	0.545	S	S	.	.	H	α-helix	trans	-93.5	-5.7	-171.2	-61.6	-74.5	0	0	0	112.8	Q25 E77	Q25-Y29 PolarHBondContact O-N 3.12Å; Y29-E77 PolarHBondContact OH-OE1 3.39Å
30	G	66.9	Low	60.6	Low	27 Å²	27	121.7 Å²	121.7	28%	0.278	57%	0.566	S	S	.	*			trans	81.9	162.3	-169	0	0	0	0	0	110.7	E26 V32	E26-G30 CarbonylContact O-C 3.6Å; E26-G30 WeakPolarHBondContact O-CA 3.31Å; E26-G30 PolarHBondContact O-N 2.99Å; G30-V32 PolarHBondContact O-N 3.25Å
31	K	63.5	Low	59.5	Low	152 Å²	152	121.8 Å²	121.8	66%	0.661	58%	0.576	S	S	*	*			trans	-64.6	102.9	167.9	-156.5	166.2	-163.4	168.3	0	106	H33	K31-H33 PolarHBondContact O-N 3.34Å
32	V	52.1	Low	58.2	Low	116 Å²	116	130.9 Å²	130.9	70%	0.703	61%	0.611	S	S	*	*			trans	-47.6	116.3	167.5	-179.1	0	0	0	0	103.7	G30 R34	G30-V32 PolarHBondContact O-N 3.25Å; V32-R34 PolarHBondContact O-N 2.86Å
33	H	47.3	Very low	56.9	Low	170 Å²	170	135.1 Å²	135.1	79%	0.787	63%	0.626	S	S	*	*			trans	-61.9	87.4	171.5	-74	-22.5	0	0	0	104.4	K31 H35	K31-H33 PolarHBondContact O-N 3.34Å; H33-H35 VanDerWaalsContact C-N 3.29Å; H33-H35 PolarHBondContact O-N 2.99Å
34	R	44.8	Very low	55.4	Low	227 Å²	227	133.7 Å²	133.7	86%	0.857	63%	0.633	S	S	*	*			trans	-47.6	113.6	154.8	-77.5	-174.4	176.7	-172.8	-1.1	101.8	V32 K36	V32-R34 PolarHBondContact O-N 2.86Å; R34-K36 PolarHBondContact O-N 3.13Å
35	H	43.9	Very low	54.4	Low	177 Å²	177	141.8 Å²	141.8	82%	0.819	67%	0.667	S	S	*	*			trans	-35.4	116.2	175.1	-133.6	-88.8	0	0	0	104.8	H33 E37	H33-H35 VanDerWaalsContact C-N 3.29Å; H33-H35 PolarHBondContact O-N 2.99Å; H35-E37 PolarHBondContact O-N 2.82Å
36	K	45	Very low	53.4	Low	181 Å²	181	141.4 Å²	141.4	79%	0.787	68%	0.678	S	S	*	*			trans	-60.2	97	178.3	-150.4	177.2	-172	177.6	0	101.8	R34 D38	R34-K36 PolarHBondContact O-N 3.13Å; K36-D38 VanDerWaalsContact C-N 3.34Å; K36-D38 PolarHBondContact O-N 2.69Å
37	E	42.5	Very low	52.6	Low	157 Å²	157	140.8 Å²	140.8	73%	0.734	68%	0.681	S	S	*	*			trans	-54.2	115.9	169.4	-76.4	-175.9	176.1	0	0	101.8	H35 H39	H35-E37 PolarHBondContact O-N 2.82Å; E37-H39 PolarHBondContact O-N 3.22Å
38	D	46.4	Very low	51.9	Low	142 Å²	142	136.9 Å²	136.9	76%	0.759	67%	0.672	S	S	*	*			trans	-62.7	84.3	179.8	-74.3	-51.3	0	0	0	105.9	K36 Q40	K36-D38 VanDerWaalsContact C-N 3.34Å; K36-D38 PolarHBondContact O-N 2.69Å; D38-Q40 PolarHBondContact O-N 2.97Å
39	H	44	Very low	51.5	Low	163 Å²	163	140.8 Å²	140.8	76%	0.755	71%	0.705	S	S	*	*			trans	-62.1	94.7	161.1	-88	11.3	0	0	0	104.3	E37 P41	E37-H39 PolarHBondContact O-N 3.22Å; H39-P41 VanDerWaalsContact O-CD 3.26Å; H39-P41 WeakPolarHBondContact O-CD 3.39Å
40	Q	48	Very low	50.9	Low	170 Å²	170	138.5 Å²	138.5	79%	0.794	71%	0.707	S	S	*	*			trans	-52.8	115.1	170.6	-73.1	-178.8	-1.3	0	0	106.4	D38 R42	D38-Q40 PolarHBondContact O-N 2.97Å; Q40-R42 PolarHBondContact O-N 3.39Å; Q40-R42 VanDerWaalsContact O-N 3.07Å
41	P	45.4	Very low	50.5	Low	118 Å²	118	142.5 Å²	142.5	77%	0.766	72%	0.719	S	S	*	*			trans	-62.9	119.1	179.9	22.5	-28.2	0	0	0	107.6	H39 H43	H39-P41 VanDerWaalsContact O-CD 3.26Å; H39-P41 WeakPolarHBondContact O-CD 3.39Å; P41-H43 PolarHBondContact O-N 3.48Å
42	R	45.1	Very low	50.2	Low	250 Å²	250	137.3 Å²	137.3	94%	0.943	70%	0.704	S	S	*	*	S	Bend	trans	-72.8	63.8	170.2	-65.5	-171.7	-178.7	-157.3	1.2	109.6	Q40	Q40-R42 PolarHBondContact O-N 3.39Å; Q40-R42 VanDerWaalsContact O-N 3.07Å
43	H	46.7	Very low	50.4	Low	155 Å²	155	140.9 Å²	140.9	72%	0.718	71%	0.705	S	S	*	*	S	Bend	trans	-169.6	110.8	153.8	-128.2	-88.2	0	0	0	109.1	P41 F45	P41-H43 PolarHBondContact O-N 3.48Å; H43-F45 PolarHBondContact O-N 2.98Å
44	S	44.8	Very low	50.9	Low	106 Å²	106	137.4 Å²	137.4	74%	0.741	69%	0.689	S	S	*	*			trans	-69.5	99.6	177	46	0	0	0	0	110.6
45	F	52.3	Low	51.4	Low	189 Å²	189	133.8 Å²	133.8	83%	0.829	68%	0.68	S	S	*	*			trans	-100.6	106.8	137.1	-75.9	-79	0	0	0	105.2	H43 P47	H43-F45 PolarHBondContact O-N 2.98Å; F45-P47 WeakPolarHBondContact O-CD 3.48Å
46	S	53.5	Low	52	Low	112 Å²	112	133.2 Å²	133.2	78%	0.783	68%	0.675	S	S	*	*			trans	-65.1	107.4	176.8	44.7	0	0	0	0	108.7
47	P	56.8	Low	52.5	Low	72 Å²	72	131.5 Å²	131.5	47%	0.468	67%	0.67	S	S	.	*			trans	-66.6	148.5	166.5	-3.2	22.6	0	0	0	107	F45 E51	F45-P47 WeakPolarHBondContact O-CD 3.48Å; P47-E51 HydrophobicContact CB-CB 4.05Å
48	S	59.2	Low	53.1	Low	58 Å²	58	133.5 Å²	133.5	41%	0.406	67%	0.67	S	S	.	*			trans	-56.3	150.5	176.1	66.5	0	0	0	0	110.4	S50 E51 A52	S48-S50 PolarHBondContact O-N 3.21Å; S48-S50 PolarHBondContact OG-OG 3.22Å; S48-S50 VanDerWaalsContact OG-OG 3.05Å; S48-E51 PolarHBondContact O-N 3.37Å; S48-E51 WeakPolarHBondContact OG-CG 3.44Å; S48-E51 PolarHBondContact OG-N 3.43Å; S48-A52 PolarHBondContact O-N 3.25Å
49	A	61.7	Low	53.7	Low	84 Å²	84	134.7 Å²	134.7	69%	0.694	67%	0.669	S	S	*	*	H	α-helix	trans	-55.9	-28.1	-177.5	0	0	0	0	0	113	R53	A49-R53 WeakPolarHBondContact O-CB 2.9Å; A49-R53 PolarHBondContact O-N 3.03Å
50	S	59.5	Low	54.4	Low	82 Å²	82	130.8 Å²	130.8	57%	0.573	66%	0.66	S	S	*	*	H	α-helix	trans	-70	-47.6	173.6	52.1	0	0	0	0	112	S48 A52 R53 E54	S48-S50 PolarHBondContact O-N 3.21Å; S48-S50 PolarHBondContact OG-OG 3.22Å; S48-S50 VanDerWaalsContact OG-OG 3.05Å; S50-A52 VanDerWaalsContact C-N 3.33Å; S50-A52 PolarHBondContact O-N 3.36Å; S50-R53 PolarHBondContact O-N 2.89Å; S50-E54 WeakPolarHBondContact O-CB 3.47Å; S50-E54 PolarHBondContact O-N 2.92Å
51	E	57.8	Low	54.7	Low	112 Å²	112	131.3 Å²	131.3	52%	0.523	66%	0.659	S	S	.	*	H	α-helix	trans	-62.7	-40.7	175.3	-75.7	-179.6	177.3	0	0	111.7	P47 S48 R53 E54 K55	P47-E51 HydrophobicContact CB-CB 4.05Å; S48-E51 PolarHBondContact O-N 3.37Å; S48-E51 WeakPolarHBondContact OG-CG 3.44Å; S48-E51 PolarHBondContact OG-N 3.43Å; E51-R53 VanDerWaalsContact C-N 3.34Å; E51-R53 PolarHBondContact O-N 3.39Å; E51-E54 PolarHBondContact O-N 3.18Å; E51-K55 VanDerWaalsContact O-CB 3.28Å; E51-K55 WeakPolarHBondContact O-CB 3.49Å; E51-K55 PolarHBondContact O-N 2.99Å
52	A	57.7	Low	55.3	Low	42 Å²	42	131 Å²	131	35%	0.347	66%	0.658	S	S	.	*	H	α-helix	trans	-64.5	-38.1	177.1	0	0	0	0	0	112	S48 S50 K56	S48-A52 PolarHBondContact O-N 3.25Å; S50-A52 VanDerWaalsContact C-N 3.33Å; S50-A52 PolarHBondContact O-N 3.36Å; A52-K56 WeakPolarHBondContact O-CB 3.48Å; A52-K56 PolarHBondContact O-N 3.17Å; A52-K56 VanDerWaalsContact O-N 3.08Å
53	R	56.8	Low	56.1	Low	192 Å²	192	126.9 Å²	126.9	73%	0.725	65%	0.653	S	S	*	*	H	α-helix	trans	-67.2	-47.8	173	-93.5	-176.7	170.2	-178.4	-1.9	111.7	A49 S50 E51 K55 K56 E57	A49-R53 WeakPolarHBondContact O-CB 2.9Å; A49-R53 PolarHBondContact O-N 3.03Å; S50-R53 PolarHBondContact O-N 2.89Å; E51-R53 VanDerWaalsContact C-N 3.34Å; E51-R53 PolarHBondContact O-N 3.39Å; R53-K55 VanDerWaalsContact C-N 3.34Å; R53-K55 PolarHBondContact O-N 2.81Å; R53-K56 PolarHBondContact O-N 3.27Å; R53-K56 VanDerWaalsContact O-N 3.13Å; R53-E57 PolarHBondContact O-N 3.2Å
54	E	56.9	Low	56.9	Low	96 Å²	96	128.8 Å²	128.8	45%	0.449	66%	0.659	S	S	.	*	H	α-helix	trans	-64.2	-40.1	-178.6	-166.6	-177.5	175.2	0	0	111.5	S50 E51 K56 E57 R58	S50-E54 WeakPolarHBondContact O-CB 3.47Å; S50-E54 PolarHBondContact O-N 2.92Å; E51-E54 PolarHBondContact O-N 3.18Å; E54-K56 VanDerWaalsContact C-N 3.33Å; E54-K56 PolarHBondContact O-N 3.03Å; E54-E57 PolarHBondContact O-N 3.01Å; E54-R58 WeakPolarHBondContact O-CG 3.33Å; E54-R58 PolarHBondContact O-N 2.87Å; E54-R58 IonicContact OE1-CZ 2.92Å; E54-R58 VanDerWaalsContact OE1-CZ 3.29Å; E54-R58 IonicContact OE1-NE 3.13Å; E54-R58 PolarHBondContact OE1-NE 3.09Å; E54-R58 IonicContact OE1-NH2 3.5Å; E54-R58 PolarHBondContact OE1-NH2 3.07Å
55	K	55.7	Low	58	Low	151 Å²	151	131.3 Å²	131.3	66%	0.657	66%	0.66	S	S	*	*	H	α-helix	trans	-68.5	-31.5	175.6	-134.7	174	-167	169.3	0	112.4	E51 R53 K59	E51-K55 VanDerWaalsContact O-CB 3.28Å; E51-K55 WeakPolarHBondContact O-CB 3.49Å; E51-K55 PolarHBondContact O-N 2.99Å; R53-K55 VanDerWaalsContact C-N 3.34Å; R53-K55 PolarHBondContact O-N 2.81Å; K55-K59 PolarHBondContact O-N 3.14Å
56	K	56.1	Low	58.9	Low	165 Å²	165	132.9 Å²	132.9	72%	0.717	66%	0.66	S	S	*	*	H	α-helix	trans	-71.7	-43.4	173.2	-93.1	-176.4	172.3	179.4	0	111.7	A52 R53 E54 K59 S60	A52-K56 WeakPolarHBondContact O-CB 3.48Å; A52-K56 PolarHBondContact O-N 3.17Å; A52-K56 VanDerWaalsContact O-N 3.08Å; R53-K56 PolarHBondContact O-N 3.27Å; R53-K56 VanDerWaalsContact O-N 3.13Å; E54-K56 VanDerWaalsContact C-N 3.33Å; E54-K56 PolarHBondContact O-N 3.03Å; K56-K59 PolarHBondContact O-N 2.89Å; K56-S60 PolarHBondContact O-N 2.88Å
57	E	56.1	Low	60	Low	146 Å²	146	138.6 Å²	138.6	68%	0.682	66%	0.664	S	S	*	*	H	α-helix	trans	-65.9	-39.5	178.8	-81.2	-174.7	163.5	0	0	112.3	R53 E54 K59 S60	R53-E57 PolarHBondContact O-N 3.2Å; E54-E57 PolarHBondContact O-N 3.01Å; E57-K59 VanDerWaalsContact C-N 3.27Å; E57-K59 PolarHBondContact O-N 3.4Å; E57-S60 PolarHBondContact O-OG 3.26Å
58	R	55.5	Low	61	Low	198 Å²	198	140.1 Å²	140.1	75%	0.747	66%	0.661	S	S	*	*	H	α-helix	trans	-69.3	-22.6	176.5	-69.3	-176.5	-174.8	-155.1	5.3	113.6	E54	E54-R58 WeakPolarHBondContact O-CG 3.33Å; E54-R58 PolarHBondContact O-N 2.87Å; E54-R58 IonicContact OE1-CZ 2.92Å; E54-R58 VanDerWaalsContact OE1-CZ 3.29Å; E54-R58 IonicContact OE1-NE 3.13Å; E54-R58 PolarHBondContact OE1-NE 3.09Å; E54-R58 IonicContact OE1-NH2 3.5Å; E54-R58 PolarHBondContact OE1-NH2 3.07Å
59	K	57.3	Low	62.1	Low	168 Å²	168	147.1 Å²	147.1	73%	0.73	68%	0.679	S	S	*	*	H	α-helix	trans	-87.8	-13.3	-179.1	-87.7	-173.9	174.9	-177.7	0	114.8	K55 K56 E57 K61	K55-K59 PolarHBondContact O-N 3.14Å; K56-K59 PolarHBondContact O-N 2.89Å; E57-K59 VanDerWaalsContact C-N 3.27Å; E57-K59 PolarHBondContact O-N 3.4Å; K59-K61 PolarHBondContact O-N 3.4Å
60	S	58.8	Low	63	Low	81 Å²	81	149.2 Å²	149.2	57%	0.566	69%	0.685	S	S	*	*			trans	-88.6	2.1	-164.4	66.6	0	0	0	0	115.8	K56 E57 P62	K56-S60 PolarHBondContact O-N 2.88Å; E57-S60 PolarHBondContact O-OG 3.26Å; S60-P62 WeakPolarHBondContact O-CD 3.21Å
61	K	55.3	Low	64.1	Low	180 Å²	180	147.4 Å²	147.4	78%	0.783	68%	0.679	S	S	*	*	S	Bend	trans	-94.7	93.2	167.4	-67.6	-174.4	-175.9	178.8	0	108	K59 L63	K59-K61 PolarHBondContact O-N 3.4Å; K61-L63 PolarHBondContact O-N 2.99Å
62	P	58	Low	65.6	Low	112 Å²	112	145.1 Å²	145.1	73%	0.727	67%	0.673	S	S	*	*			trans	-54.3	114.9	167.2	23.6	-31.7	0	0	0	105.8	S60 K64	S60-P62 WeakPolarHBondContact O-CD 3.21Å; P62-K64 VanDerWaalsContact C-N 3.34Å; P62-K64 PolarHBondContact O-N 3.46Å
63	L	62.2	Low	67	Low	163 Å²	163	145.8 Å²	145.8	85%	0.853	67%	0.67	S	S	*	*			trans	-53.5	106.8	176	-71.4	168.9	0	0	0	105.6	K61 Q65	K61-L63 PolarHBondContact O-N 2.99Å; L63-Q65 PolarHBondContact O-N 3.41Å
64	K	63.9	Low	68.5	Low	195 Å²	195	138.9 Å²	138.9	85%	0.848	65%	0.654	S	S	*	*			trans	-55.1	106.3	-178.1	-174	176	-174.9	176.2	0	105.7	P62 R66	P62-K64 VanDerWaalsContact C-N 3.34Å; P62-K64 PolarHBondContact O-N 3.46Å; K64-R66 PolarHBondContact O-N 2.97Å
65	Q	66.5	Low	70.1	Confident	159 Å²	159	139 Å²	139	74%	0.743	66%	0.657	S	S	*	*			trans	-54.8	106.5	-173.4	179	63.6	19.1	0	0	106.9	L63 R67	L63-Q65 PolarHBondContact O-N 3.41Å; Q65-R67 PolarHBondContact O-N 2.87Å
66	R	71.2	Confident	71.7	Confident	222 Å²	222	133.9 Å²	133.9	84%	0.838	64%	0.636	S	S	*	*			trans	-63.8	114.5	-176.5	-74.1	178.8	70.8	-179.5	3.9	106.5	K64 R68	K64-R66 PolarHBondContact O-N 2.97Å; R66-R68 PolarHBondContact O-N 3.4Å
67	R	77.3	Confident	73.4	Confident	232 Å²	232	128.3 Å²	128.3	88%	0.875	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-57	127.8	173.7	-174	176.5	176.1	-174.6	0.1	107.6	Q65	Q65-R67 PolarHBondContact O-N 2.87Å
68	R	77.2	Confident	75.1	Confident	104 Å²	104	125.2 Å²	125.2	39%	0.392	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-64.8	145.7	175	-59.7	-169.3	-173	-153	11.5	108.9	R66 L73	R66-R68 PolarHBondContact O-N 3.4Å; R68-L73 HydrophobicContact CB-CG 4.38Å; R68-L73 VanDerWaalsContact CD-CD2 3.5Å
69	R	82.7	Confident	76.9	Confident	206 Å²	206	123.4 Å²	123.4	78%	0.777	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-59.5	145.9	178.1	-63.1	178.3	179.6	172.2	-0.9	109.6	G71 V72	R69-G71 PolarHBondContact O-N 2.78Å; R69-V72 HydrophobicContact CB-CG2 3.79Å; R69-V72 WeakPolarHBondContact O-CB 3.44Å; R69-V72 PolarHBondContact O-N 3.34Å; R69-V72 VanDerWaalsContact O-N 3.15Å
70	P	79.8	Confident	78.5	Confident	127 Å²	127	116.6 Å²	116.6	83%	0.825	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.3	140.8	171.6	-25.1	34.2	0	0	0	111	V72	P70-V72 VanDerWaalsContact C-N 3.25Å; P70-V72 PolarHBondContact O-N 2.72Å
71	G	84.1	Confident	80.1	Confident	44 Å²	44	116.9 Å²	116.9	45%	0.454	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	81.2	-22.9	-178.1	0	0	0	0	0	115.9	R69 L73 A74 L75	R69-G71 PolarHBondContact O-N 2.78Å; G71-L73 PolarHBondContact O-N 2.84Å; G71-A74 PolarHBondContact O-N 3.3Å; G71-L75 WeakPolarHBondContact O-CG 3.46Å; G71-L75 PolarHBondContact O-N 3.06Å
72	V	88	Confident	81.9	Confident	64 Å²	64	115.7 Å²	115.7	39%	0.388	55%	0.551	S	S	.	*	H	α-helix	trans	-64.4	-42.7	-179.5	174	0	0	0	0	112	R69 P70 Q76	R69-V72 HydrophobicContact CB-CG2 3.79Å; R69-V72 WeakPolarHBondContact O-CB 3.44Å; R69-V72 PolarHBondContact O-N 3.34Å; R69-V72 VanDerWaalsContact O-N 3.15Å; P70-V72 VanDerWaalsContact C-N 3.25Å; P70-V72 PolarHBondContact O-N 2.72Å; V72-Q76 WeakPolarHBondContact O-CB 3.22Å; V72-Q76 PolarHBondContact O-N 3.46Å
73	L	87	Confident	83.5	Confident	56 Å²	56	120.6 Å²	120.6	29%	0.293	56%	0.555	S	S	.	*	H	α-helix	trans	-65.6	-42.5	175.9	-75.8	176.7	0	0	0	111.4	R68 G71 L75 Q76 E77	R68-L73 HydrophobicContact CB-CG 4.38Å; R68-L73 VanDerWaalsContact CD-CD2 3.5Å; G71-L73 PolarHBondContact O-N 2.84Å; L73-L75 PolarHBondContact O-N 2.74Å; L73-Q76 WeakPolarHBondContact O-CB 3.23Å; L73-Q76 PolarHBondContact O-N 3.05Å; L73-Q76 VanDerWaalsContact O-N 3.16Å; L73-E77 WeakPolarHBondContact O-CB 3.38Å; L73-E77 VanDerWaalsContact O-CG 3.31Å; L73-E77 WeakPolarHBondContact O-CG 3.26Å; L73-E77 PolarHBondContact O-N 2.7Å
74	A	89.1	Confident	84.8	Confident	48 Å²	48	113.9 Å²	113.9	40%	0.397	53%	0.525	S	S	.	.	H	α-helix	trans	-60.1	-46.8	177.6	0	0	0	0	0	111.7	G71 Q76 E77 I78	G71-A74 PolarHBondContact O-N 3.3Å; A74-Q76 VanDerWaalsContact C-N 3.3Å; A74-Q76 PolarHBondContact O-N 3.47Å; A74-E77 PolarHBondContact O-N 3.01Å; A74-I78 VanDerWaalsContact O-CG1 3.24Å; A74-I78 WeakPolarHBondContact O-CG1 3.42Å; A74-I78 PolarHBondContact O-N 3.13Å
75	L	90.3	Very high	86	Confident	98 Å²	98	111.7 Å²	111.7	51%	0.513	53%	0.528	S	S	.	.	H	α-helix	trans	-64.4	-35.3	176.3	-69.3	175	0	0	0	112.5	G71 L73 R79	G71-L75 WeakPolarHBondContact O-CG 3.46Å; G71-L75 PolarHBondContact O-N 3.06Å; L73-L75 PolarHBondContact O-N 2.74Å; L75-R79 VanDerWaalsContact O-CG 3.24Å; L75-R79 WeakPolarHBondContact O-CG 3.32Å; L75-R79 PolarHBondContact O-N 2.86Å; L75-R79 VanDerWaalsContact O-N 3.12Å
76	Q	89.9	Confident	87.2	Confident	44 Å²	44	107.1 Å²	107.1	21%	0.206	51%	0.507	C	S	.	.	H	α-helix	trans	-66.9	-44.2	174.7	-175.6	-173.5	-17.2	0	0	111.4	K27 V72 L73 A74 R79 I80	K27-Q76 PolarHBondContact O-NE2 3.4Å; V72-Q76 WeakPolarHBondContact O-CB 3.22Å; V72-Q76 PolarHBondContact O-N 3.46Å; L73-Q76 WeakPolarHBondContact O-CB 3.23Å; L73-Q76 PolarHBondContact O-N 3.05Å; L73-Q76 VanDerWaalsContact O-N 3.16Å; A74-Q76 VanDerWaalsContact C-N 3.3Å; A74-Q76 PolarHBondContact O-N 3.47Å; Q76-R79 PolarHBondContact O-N 3.5Å; Q76-I80 HydrophobicContact CG-CD1 3.93Å; Q76-I80 WeakPolarHBondContact O-CG1 3.5Å; Q76-I80 PolarHBondContact O-N 2.91Å
77	E	91	Very high	88.2	Confident	47 Å²	47	98.1 Å²	98.1	22%	0.22	48%	0.475	C	S	.	.	H	α-helix	trans	-59	-50.5	175.9	-76.1	169	-162.8	0	0	110.9	L28 Y29 L73 A74 R79 I80 Y81	L28-E77 HydrophobicContact CD1-CG 4.07Å; L28-E77 HydrophobicContact CD2-CB 4.24Å; L28-E77 HydrophobicContact CD2-CG 3.52Å; L28-E77 HydrophobicContact CG-CG 4.37Å; Y29-E77 PolarHBondContact OH-OE1 3.39Å; L73-E77 WeakPolarHBondContact O-CB 3.38Å; L73-E77 VanDerWaalsContact O-CG 3.31Å; L73-E77 WeakPolarHBondContact O-CG 3.26Å; L73-E77 PolarHBondContact O-N 2.7Å; A74-E77 PolarHBondContact O-N 3.01Å; E77-R79 VanDerWaalsContact C-N 3.33Å; E77-R79 PolarHBondContact O-N 2.82Å; E77-I80 PolarHBondContact O-N 3.29Å; E77-Y81 HydrophobicContact CB-CD2 4.16Å; E77-Y81 HydrophobicContact CB-CE2 3.94Å; E77-Y81 HydrophobicContact CG-CE2 4.31Å; E77-Y81 WeakPolarHBondContact O-CD2 3.36Å; E77-Y81 PolarHBondContact O-N 3.43Å
78	I	92.8	Very high	88.9	Confident	82 Å²	82	90.8 Å²	90.8	42%	0.421	45%	0.453	S	S	.	.	H	α-helix	trans	-54.5	-49.6	176.6	-68.6	163.8	0	0	0	110.6	A74 I80 Y81 Q82	A74-I78 VanDerWaalsContact O-CG1 3.24Å; A74-I78 WeakPolarHBondContact O-CG1 3.42Å; A74-I78 PolarHBondContact O-N 3.13Å; I78-I80 PolarHBondContact O-N 3.43Å; I78-Y81 PolarHBondContact O-N 2.65Å; I78-Q82 HydrophobicContact CG2-CG 4.18Å; I78-Q82 VanDerWaalsContact O-CB 3.26Å; I78-Q82 WeakPolarHBondContact O-CB 3.26Å; I78-Q82 VanDerWaalsContact O-CG 3.25Å; I78-Q82 WeakPolarHBondContact O-CG 3.34Å; I78-Q82 PolarHBondContact O-N 2.94Å
79	R	92.8	Very high	89.7	Confident	160 Å²	160	88.4 Å²	88.4	60%	0.604	45%	0.447	S	S	*	.	H	α-helix	trans	-62.5	-30	179.3	-73	172.3	-171.9	179.5	2.6	113.5	L75 Q76 E77 R83	L75-R79 VanDerWaalsContact O-CG 3.24Å; L75-R79 WeakPolarHBondContact O-CG 3.32Å; L75-R79 PolarHBondContact O-N 2.86Å; L75-R79 VanDerWaalsContact O-N 3.12Å; Q76-R79 PolarHBondContact O-N 3.5Å; E77-R79 VanDerWaalsContact C-N 3.33Å; E77-R79 PolarHBondContact O-N 2.82Å; R79-R83 VanDerWaalsContact O-CD 3.31Å; R79-R83 WeakPolarHBondContact O-CD 3.45Å; R79-R83 WeakPolarHBondContact O-CG 3.36Å
80	I	91.3	Very high	90.3	Very high	24 Å²	24	81.6 Å²	81.6	12%	0.123	43%	0.43	C	S	.	.	H	α-helix	trans	-78.8	-50.6	179.3	-76.5	163.2	0	0	0	109.8	L24 K27 L28 Q76 E77 I78 Q82 R83 G84	L24-I80 HydrophobicContact CD2-CG2 3.68Å; L24-I80 HydrophobicContact CG-CG2 4.08Å; K27-I80 HydrophobicContact CD-CD1 4.38Å; K27-I80 HydrophobicContact CG-CD1 4.3Å; L28-I80 HydrophobicContact CD2-CB 4.36Å; L28-I80 HydrophobicContact CD2-CD1 3.34Å; L28-I80 HydrophobicContact CD2-CG1 4.42Å; L28-I80 HydrophobicContact CG-CD1 4.16Å; Q76-I80 HydrophobicContact CG-CD1 3.93Å; Q76-I80 WeakPolarHBondContact O-CG1 3.5Å; Q76-I80 PolarHBondContact O-N 2.91Å; E77-I80 PolarHBondContact O-N 3.29Å; I78-I80 PolarHBondContact O-N 3.43Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 2.81Å; I80-R83 PolarHBondContact O-N 3.19Å; I80-R83 VanDerWaalsContact O-N 3.14Å; I80-G84 PolarHBondContact O-N 2.86Å
81	Y	92.1	Very high	90.9	Very high	87 Å²	87	79.2 Å²	79.2	34%	0.341	40%	0.404	S	S	.	.	H	α-helix	trans	-66.8	-33.3	-178.2	-64.8	-51.8	0	0	0	112.8	L24 L28 E77 I78 R83 G84 L88	L24-Y81 HydrophobicContact CD1-CD1 4.24Å; L24-Y81 HydrophobicContact CD1-CE1 3.74Å; L24-Y81 HydrophobicContact CD2-CE1 3.73Å; L24-Y81 HydrophobicContact CG-CE1 4.42Å; L28-Y81 HydrophobicContact CD1-CE2 4.4Å; L28-Y81 WeakPolarHBondContact CD1-OH 3.31Å; E77-Y81 HydrophobicContact CB-CD2 4.16Å; E77-Y81 HydrophobicContact CB-CE2 3.94Å; E77-Y81 HydrophobicContact CG-CE2 4.31Å; E77-Y81 WeakPolarHBondContact O-CD2 3.36Å; E77-Y81 PolarHBondContact O-N 3.43Å; I78-Y81 PolarHBondContact O-N 2.65Å; Y81-R83 VanDerWaalsContact C-N 3.28Å; Y81-R83 PolarHBondContact O-N 2.91Å; Y81-G84 PolarHBondContact O-N 2.64Å; Y81-L88 HydrophobicContact CD1-CD2 3.6Å; Y81-L88 HydrophobicContact CE1-CD2 3.67Å
82	Q	92.7	Very high	91.3	Very high	156 Å²	156	80 Å²	80	73%	0.729	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.2	174.8	-73.2	180	-25.5	0	0	114.1	I78 I80	I78-Q82 HydrophobicContact CG2-CG 4.18Å; I78-Q82 VanDerWaalsContact O-CB 3.26Å; I78-Q82 WeakPolarHBondContact O-CB 3.26Å; I78-Q82 VanDerWaalsContact O-CG 3.25Å; I78-Q82 WeakPolarHBondContact O-CG 3.34Å; I78-Q82 PolarHBondContact O-N 2.94Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 2.81Å
83	R	92.5	Very high	91.7	Very high	214 Å²	214	80.2 Å²	80.2	81%	0.808	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-18.3	175.5	-73.2	175.1	-174.2	-171.1	0.6	112.6	R79 I80 Y81	R79-R83 VanDerWaalsContact O-CD 3.31Å; R79-R83 WeakPolarHBondContact O-CD 3.45Å; R79-R83 WeakPolarHBondContact O-CG 3.36Å; I80-R83 PolarHBondContact O-N 3.19Å; I80-R83 VanDerWaalsContact O-N 3.14Å; Y81-R83 VanDerWaalsContact C-N 3.28Å; Y81-R83 PolarHBondContact O-N 2.91Å
84	G	89.2	Confident	92.1	Very high	22 Å²	22	79 Å²	79	23%	0.227	40%	0.398	C	S	.	.			trans	-105.8	170.5	-179	0	0	0	0	0	111.8	I80 Y81 E86	I80-G84 PolarHBondContact O-N 2.86Å; Y81-G84 PolarHBondContact O-N 2.64Å; G84-E86 VanDerWaalsContact CA-OE2 3.25Å; G84-E86 WeakPolarHBondContact CA-OE2 3.33Å
85	T	89	Confident	92.4	Very high	149 Å²	149	79.9 Å²	79.9	91%	0.914	39%	0.394	S	S	*	.			trans	-138.2	17.1	173.3	56.6	0	0	0	0	111.3
86	E	91.2	Very high	92.6	Very high	64 Å²	64	83.5 Å²	83.5	30%	0.299	40%	0.401	S	S	.	.			trans	-68.2	150	177.2	63.8	-82.4	-166.6	0	0	112.4	L24 G84 L88	L24-E86 HydrophobicContact CD1-CG 4.25Å; L24-E86 WeakPolarHBondContact CD1-OE1 3.3Å; G84-E86 VanDerWaalsContact CA-OE2 3.25Å; G84-E86 WeakPolarHBondContact CA-OE2 3.33Å; E86-L88 PolarHBondContact O-N 3.3Å
87	L	92.4	Very high	92.9	Very high	32 Å²	32	85.1 Å²	85.1	17%	0.168	41%	0.413	C	S	.	.			trans	-63.8	128.5	176.6	-63	173.3	0	0	0	111	R21 Q121 E125	R21-L87 PolarHBondContact NE-O 3.23Å; R21-L87 PolarHBondContact NH2-O 3.04Å; L87-Q121 HydrophobicContact CD1-CG 4.47Å; L87-Q121 HydrophobicContact CD2-CG 4.22Å; L87-E125 WeakPolarHBondContact CA-OE2 2.96Å
88	L	92.5	Very high	93.1	Very high	79 Å²	79	83.7 Å²	83.7	41%	0.414	41%	0.407	S	S	.	.			trans	-93	-33.2	-176	-57.3	-177.3	0	0	0	112.5	R21 Y81 E86 E125	R21-L88 PolarHBondContact NH1-O 3.06Å; R21-L88 VanDerWaalsContact NH1-O 3.13Å; R21-L88 PolarHBondContact NH2-O 2.51Å; Y81-L88 HydrophobicContact CD1-CD2 3.6Å; Y81-L88 HydrophobicContact CE1-CD2 3.67Å; E86-L88 PolarHBondContact O-N 3.3Å; L88-E125 PolarHBondContact N-OE1 3.02Å; L88-E125 PolarHBondContact N-OE2 3.16Å
89	I	93.5	Very high	93.1	Very high	54 Å²	54	87.4 Å²	87.4	28%	0.277	42%	0.416	S	S	.	.	S	Bend	trans	-83.8	129.3	-178.9	-57.5	176.8	0	0	0	110	R21 R91 F94 Q121 E125 L128	R21-I89 PolarHBondContact NH2-O 3.22Å; I89-R91 PolarHBondContact O-N 3.04Å; I89-F94 HydrophobicContact CG2-CB 4.13Å; I89-F94 HydrophobicContact CG2-CD2 4.36Å; I89-Q121 PolarHBondContact O-NE2 3.32Å; I89-E125 WeakPolarHBondContact CA-OE1 3.45Å; I89-E125 HydrophobicContact CB-CG 4.48Å; I89-E125 WeakPolarHBondContact CB-OE1 3.05Å; I89-E125 HydrophobicContact CD1-CG 3.75Å; I89-E125 HydrophobicContact CG1-CG 3.96Å; I89-E125 WeakPolarHBondContact CG1-OE1 3.42Å; I89-E125 PolarHBondContact N-OE1 3.17Å; I89-L128 HydrophobicContact CD1-CD1 4.3Å
90	P	94.4	Very high	93.2	Very high	63 Å²	63	82.8 Å²	82.8	41%	0.409	40%	0.403	S	S	.	.			trans	-61.4	132.4	-178.9	-11.3	21.1	0	0	0	111.5	R21 S92 P93 F94	R21-P90 VanDerWaalsContact NH1-CB 3.34Å; P90-S92 VanDerWaalsContact C-N 3.29Å; P90-S92 PolarHBondContact O-N 2.91Å; P90-P93 HydrophobicContact CB-CG 4.02Å; P90-P93 HydrophobicContact CG-CG 4.35Å; P90-P93 VanDerWaalsContact O-CD 3.31Å; P90-P93 WeakPolarHBondContact O-CD 3.03Å; P90-F94 PolarHBondContact O-N 2.88Å
91	R	92.1	Very high	93.4	Very high	77 Å²	77	85.8 Å²	85.8	29%	0.291	42%	0.418	S	S	.	.	H	α-helix	trans	-56.5	-39.6	-174.2	-68.6	179.6	175.2	166.3	-3.5	113	I89 F94 Q95 E118	I89-R91 PolarHBondContact O-N 3.04Å; R91-F94 PolarHBondContact O-N 3.03Å; R91-Q95 VanDerWaalsContact O-CB 3.3Å; R91-Q95 WeakPolarHBondContact O-CB 3.36Å; R91-Q95 PolarHBondContact O-N 2.77Å; R91-E118 IonicContact CZ-OE1 2.73Å; R91-E118 IonicContact NH1-OE1 3.29Å; R91-E118 IonicContact NH2-OE1 2.74Å
92	S	93.4	Very high	93.5	Very high	60 Å²	60	82.4 Å²	82.4	42%	0.42	41%	0.406	S	S	.	.	H	α-helix	trans	-65.8	-54.3	-177.5	174.6	0	0	0	0	113.1	P90 F94 Q95 R96	P90-S92 VanDerWaalsContact C-N 3.29Å; P90-S92 PolarHBondContact O-N 2.91Å; S92-F94 VanDerWaalsContact C-N 3.31Å; S92-F94 PolarHBondContact O-N 3.34Å; S92-Q95 PolarHBondContact O-N 3.48Å; S92-R96 WeakPolarHBondContact O-CG 3.36Å; S92-R96 PolarHBondContact O-N 2.98Å
93	P	95.7	Very high	93.6	Very high	68 Å²	68	81.3 Å²	81.3	44%	0.442	40%	0.401	S	S	.	.	H	α-helix	trans	-51.9	-45.7	169.6	-28.4	32.5	0	0	0	113.7	P90 Q95 R96 V97	P90-P93 HydrophobicContact CB-CG 4.02Å; P90-P93 HydrophobicContact CG-CG 4.35Å; P90-P93 VanDerWaalsContact O-CD 3.31Å; P90-P93 WeakPolarHBondContact O-CD 3.03Å; P93-Q95 VanDerWaalsContact C-N 3.34Å; P93-Q95 PolarHBondContact O-N 3.4Å; P93-R96 WeakPolarHBondContact O-CB 3.22Å; P93-R96 PolarHBondContact O-N 3.43Å; P93-R96 VanDerWaalsContact O-N 3.12Å; P93-V97 WeakPolarHBondContact O-CG2 3.36Å; P93-V97 PolarHBondContact O-N 2.78Å
94	F	96.5	Very high	93.7	Very high	30 Å²	30	80.2 Å²	80.2	13%	0.132	40%	0.397	C	S	.	.	H	α-helix	trans	-61.7	-43.4	179.2	-171.2	-100.5	0	0	0	111.9	I89 P90 R91 S92 R96 V97 I98 L120 Q121 A124	I89-F94 HydrophobicContact CG2-CB 4.13Å; I89-F94 HydrophobicContact CG2-CD2 4.36Å; P90-F94 PolarHBondContact O-N 2.88Å; R91-F94 PolarHBondContact O-N 3.03Å; S92-F94 VanDerWaalsContact C-N 3.31Å; S92-F94 PolarHBondContact O-N 3.34Å; F94-R96 VanDerWaalsContact C-N 3.31Å; F94-R96 PolarHBondContact O-N 2.9Å; F94-V97 WeakPolarHBondContact O-CB 3.46Å; F94-V97 PolarHBondContact O-N 3.37Å; F94-I98 HydrophobicContact CD1-CD1 3.61Å; F94-I98 HydrophobicContact CD1-CG1 4.33Å; F94-I98 HydrophobicContact CE1-CD1 3.23Å; F94-I98 HydrophobicContact CE1-CG1 4.02Å; F94-I98 HydrophobicContact CZ-CD1 4.02Å; F94-I98 HydrophobicContact CZ-CG1 4.43Å; F94-I98 PolarHBondContact O-N 2.88Å; F94-L120 HydrophobicContact CE1-CB 4.35Å; F94-Q121 HydrophobicContact CD1-CB 3.62Å; F94-Q121 HydrophobicContact CD1-CG 3.68Å; F94-Q121 HydrophobicContact CD2-CG 4.24Å; F94-Q121 HydrophobicContact CE1-CB 3.35Å; F94-Q121 HydrophobicContact CE1-CG 3.77Å; F94-Q121 HydrophobicContact CE2-CG 4.35Å; F94-Q121 HydrophobicContact CG-CB 4.36Å; F94-Q121 HydrophobicContact CG-CG 3.92Å; F94-Q121 VanDerWaalsContact CZ-CA 3.43Å; F94-Q121 HydrophobicContact CZ-CB 3.96Å; F94-Q121 HydrophobicContact CZ-CG 4.14Å; F94-A124 HydrophobicContact CE2-CB 3.91Å; F94-A124 HydrophobicContact CZ-CB 3.87Å
95	Q	94.4	Very high	94	Very high	67 Å²	67	85.3 Å²	85.3	31%	0.313	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-35.3	174.9	-174.1	179.3	6.6	0	0	112.6	R91 S92 P93 I98 R99 L117	R91-Q95 VanDerWaalsContact O-CB 3.3Å; R91-Q95 WeakPolarHBondContact O-CB 3.36Å; R91-Q95 PolarHBondContact O-N 2.77Å; S92-Q95 PolarHBondContact O-N 3.48Å; P93-Q95 VanDerWaalsContact C-N 3.34Å; P93-Q95 PolarHBondContact O-N 3.4Å; Q95-I98 PolarHBondContact O-N 3.37Å; Q95-R99 VanDerWaalsContact NE2-NH2 3.19Å; Q95-R99 WeakPolarHBondContact O-CG 3.38Å; Q95-R99 PolarHBondContact O-N 3.22Å; Q95-L117 HydrophobicContact CG-CD1 3.93Å
96	R	95.1	Very high	94.2	Very high	175 Å²	175	81 Å²	81	66%	0.66	40%	0.403	S	S	*	.	H	α-helix	trans	-64.5	-42.8	174.6	-68.5	174.5	-161.9	-90.7	2	111.2	S92 P93 F94 R99 D100	S92-R96 WeakPolarHBondContact O-CG 3.36Å; S92-R96 PolarHBondContact O-N 2.98Å; P93-R96 WeakPolarHBondContact O-CB 3.22Å; P93-R96 PolarHBondContact O-N 3.43Å; P93-R96 VanDerWaalsContact O-N 3.12Å; F94-R96 VanDerWaalsContact C-N 3.31Å; F94-R96 PolarHBondContact O-N 2.9Å; R96-R99 PolarHBondContact O-N 3.37Å; R96-D100 PolarHBondContact O-N 3.4Å
97	V	96.3	Very high	94.3	Very high	78 Å²	78	86.4 Å²	86.4	47%	0.473	42%	0.421	S	S	.	.	H	α-helix	trans	-60.6	-45.4	175.3	173.2	0	0	0	0	110.8	P93 F94 R99 D100 I101	P93-V97 WeakPolarHBondContact O-CG2 3.36Å; P93-V97 PolarHBondContact O-N 2.78Å; F94-V97 WeakPolarHBondContact O-CB 3.46Å; F94-V97 PolarHBondContact O-N 3.37Å; V97-R99 VanDerWaalsContact C-N 3.34Å; V97-R99 PolarHBondContact O-N 3.18Å; V97-D100 PolarHBondContact O-N 3.47Å; V97-I101 HydrophobicContact CG1-CD1 3.87Å; V97-I101 HydrophobicContact CG1-CG1 4.48Å; V97-I101 WeakPolarHBondContact O-CG1 3.28Å; V97-I101 PolarHBondContact O-N 2.88Å
98	I	94.8	Very high	94.1	Very high	17 Å²	17	89.3 Å²	89.3	9%	0.087	44%	0.441	C	S	.	.	H	α-helix	trans	-56.7	-48.9	175.8	-72.8	173.4	0	0	0	110.7	F94 Q95 D100 I101 I102 L117 L120	F94-I98 HydrophobicContact CD1-CD1 3.61Å; F94-I98 HydrophobicContact CD1-CG1 4.33Å; F94-I98 HydrophobicContact CE1-CD1 3.23Å; F94-I98 HydrophobicContact CE1-CG1 4.02Å; F94-I98 HydrophobicContact CZ-CD1 4.02Å; F94-I98 HydrophobicContact CZ-CG1 4.43Å; F94-I98 PolarHBondContact O-N 2.88Å; Q95-I98 PolarHBondContact O-N 3.37Å; I98-D100 PolarHBondContact O-N 2.91Å; I98-I101 PolarHBondContact O-N 2.63Å; I98-I102 HydrophobicContact CG2-CD1 3.44Å; I98-I102 VanDerWaalsContact CG2-CD1 3.44Å; I98-I102 HydrophobicContact CG2-CG1 4.4Å; I98-I102 WeakPolarHBondContact O-CD1 3.34Å; I98-I102 VanDerWaalsContact O-CG1 3.27Å; I98-I102 WeakPolarHBondContact O-CG1 3.5Å; I98-I102 PolarHBondContact O-N 3.28Å; I98-L117 HydrophobicContact CD1-CD2 3.72Å; I98-L117 HydrophobicContact CG2-CD2 4Å; I98-L120 HydrophobicContact CD1-CB 4.16Å; I98-L120 HydrophobicContact CD1-CD1 3.97Å
99	R	93.8	Very high	94	Very high	160 Å²	160	92.7 Å²	92.7	60%	0.604	46%	0.46	S	S	*	.	H	α-helix	trans	-60.7	-41.7	178.9	-71.5	-178.3	-173	-143.4	5.4	112.8	Q95 R96 V97 I102 Q103	Q95-R99 VanDerWaalsContact NE2-NH2 3.19Å; Q95-R99 WeakPolarHBondContact O-CG 3.38Å; Q95-R99 PolarHBondContact O-N 3.22Å; R96-R99 PolarHBondContact O-N 3.37Å; V97-R99 VanDerWaalsContact C-N 3.34Å; V97-R99 PolarHBondContact O-N 3.18Å; R99-I102 PolarHBondContact O-N 3.43Å; R99-Q103 WeakPolarHBondContact O-CB 3.48Å; R99-Q103 PolarHBondContact O-N 3.32Å
100	D	95	Very high	93.9	Very high	63 Å²	63	94.4 Å²	94.4	34%	0.337	47%	0.469	S	S	.	.	H	α-helix	trans	-60.6	-46.3	175.5	178	36.4	0	0	0	111.1	R96 V97 I98 I102 Q103 R104	R96-D100 PolarHBondContact O-N 3.4Å; V97-D100 PolarHBondContact O-N 3.47Å; I98-D100 PolarHBondContact O-N 2.91Å; D100-I102 PolarHBondContact O-N 2.88Å; D100-Q103 WeakPolarHBondContact O-CB 3.1Å; D100-Q103 PolarHBondContact O-N 3Å; D100-R104 WeakPolarHBondContact O-CG 3.46Å; D100-R104 PolarHBondContact O-N 3.36Å; D100-R104 IonicContact OD1-CZ 2.68Å; D100-R104 IonicContact OD1-NE 3.6Å; D100-R104 PolarHBondContact OD1-NE 3.44Å; D100-R104 VanDerWaalsContact OD1-NE 3.1Å; D100-R104 IonicContact OD1-NH2 2.71Å; D100-R104 IonicContact OD2-CZ 3.1Å; D100-R104 VanDerWaalsContact OD2-CZ 3.29Å; D100-R104 IonicContact OD2-NE 3.54Å; D100-R104 PolarHBondContact OD2-NE 3.48Å; D100-R104 IonicContact OD2-NH2 3.76Å; D100-R104 PolarHBondContact OD2-NH2 3.23Å
101	I	94.9	Very high	93.7	Very high	86 Å²	86	100.9 Å²	100.9	44%	0.441	49%	0.491	S	S	.	.	H	α-helix	trans	-59.5	-45.9	176.2	-66.3	166.7	0	0	0	111	V97 I98 Q103 R104 L105	V97-I101 HydrophobicContact CG1-CD1 3.87Å; V97-I101 HydrophobicContact CG1-CG1 4.48Å; V97-I101 WeakPolarHBondContact O-CG1 3.28Å; V97-I101 PolarHBondContact O-N 2.88Å; I98-I101 PolarHBondContact O-N 2.63Å; I101-Q103 VanDerWaalsContact C-N 3.31Å; I101-Q103 PolarHBondContact O-N 2.9Å; I101-R104 WeakPolarHBondContact O-CB 3.34Å; I101-R104 PolarHBondContact O-N 3.02Å; I101-R104 VanDerWaalsContact O-N 3.15Å; I101-L105 HydrophobicContact CG2-CD1 4.01Å; I101-L105 HydrophobicContact CG2-CG 4.39Å; I101-L105 WeakPolarHBondContact O-CG 3.32Å; I101-L105 PolarHBondContact O-N 2.95Å
102	I	94.5	Very high	93.7	Very high	16 Å²	16	100.8 Å²	100.8	8%	0.082	49%	0.493	C	S	.	.	H	α-helix	trans	-63.2	-38.1	179.5	-67.1	150.5	0	0	0	112.2	I98 R99 D100 R104 L105 G106 R107 L110 F112	I98-I102 HydrophobicContact CG2-CD1 3.44Å; I98-I102 VanDerWaalsContact CG2-CD1 3.44Å; I98-I102 HydrophobicContact CG2-CG1 4.4Å; I98-I102 WeakPolarHBondContact O-CD1 3.34Å; I98-I102 VanDerWaalsContact O-CG1 3.27Å; I98-I102 WeakPolarHBondContact O-CG1 3.5Å; I98-I102 PolarHBondContact O-N 3.28Å; R99-I102 PolarHBondContact O-N 3.43Å; D100-I102 PolarHBondContact O-N 2.88Å; I102-R104 VanDerWaalsContact C-N 3.33Å; I102-L105 CarbonylContact O-C 3.56Å; I102-L105 PolarHBondContact O-N 3.4Å; I102-G106 PolarHBondContact O-N 3.23Å; I102-R107 HydrophobicContact CG2-CB 4.27Å; I102-R107 WeakPolarHBondContact CG2-O 3.44Å; I102-R107 PolarHBondContact O-N 3.26Å; I102-L110 HydrophobicContact CG2-CB 4.11Å; I102-L110 HydrophobicContact CG2-CD2 4.43Å; I102-F112 HydrophobicContact CD1-CD2 3.85Å; I102-F112 HydrophobicContact CD1-CE2 3.04Å; I102-F112 HydrophobicContact CD1-CZ 3.44Å; I102-F112 VanDerWaalsContact CD1-CZ 3.44Å; I102-F112 HydrophobicContact CG1-CE2 3.96Å; I102-F112 HydrophobicContact CG1-CZ 4.01Å
103	Q	94.5	Very high	93.7	Very high	134 Å²	134	104.5 Å²	104.5	63%	0.626	50%	0.503	S	S	*	.	H	α-helix	trans	-62	-43.5	174.7	-177.5	176.6	-10.5	0	0	110.6	R99 D100 I101 L105 G106	R99-Q103 WeakPolarHBondContact O-CB 3.48Å; R99-Q103 PolarHBondContact O-N 3.32Å; D100-Q103 WeakPolarHBondContact O-CB 3.1Å; D100-Q103 PolarHBondContact O-N 3Å; I101-Q103 VanDerWaalsContact C-N 3.31Å; I101-Q103 PolarHBondContact O-N 2.9Å; Q103-L105 VanDerWaalsContact C-N 3.27Å; Q103-L105 PolarHBondContact O-N 3.3Å; Q103-G106 PolarHBondContact O-N 3.01Å; Q103-G106 VanDerWaalsContact O-N 3.08Å
104	R	95.3	Very high	93.5	Very high	191 Å²	191	107 Å²	107	72%	0.721	50%	0.504	S	S	*	.	H	α-helix	trans	-65	-29.3	174.9	-64.3	173.2	-167.6	-155.3	5.2	113.1	D100 I101 I102 G106	D100-R104 WeakPolarHBondContact O-CG 3.46Å; D100-R104 PolarHBondContact O-N 3.36Å; D100-R104 IonicContact OD1-CZ 2.68Å; D100-R104 IonicContact OD1-NE 3.6Å; D100-R104 PolarHBondContact OD1-NE 3.44Å; D100-R104 VanDerWaalsContact OD1-NE 3.1Å; D100-R104 IonicContact OD1-NH2 2.71Å; D100-R104 IonicContact OD2-CZ 3.1Å; D100-R104 VanDerWaalsContact OD2-CZ 3.29Å; D100-R104 IonicContact OD2-NE 3.54Å; D100-R104 PolarHBondContact OD2-NE 3.48Å; D100-R104 IonicContact OD2-NH2 3.76Å; D100-R104 PolarHBondContact OD2-NH2 3.23Å; I101-R104 WeakPolarHBondContact O-CB 3.34Å; I101-R104 PolarHBondContact O-N 3.02Å; I101-R104 VanDerWaalsContact O-N 3.15Å; I102-R104 VanDerWaalsContact C-N 3.33Å; R104-G106 PolarHBondContact O-N 3.27Å
105	L	94.6	Very high	93.4	Very high	129 Å²	129	110.8 Å²	110.8	68%	0.675	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	2	173.9	-66	174.1	0	0	0	113.8	I101 I102 Q103	I101-L105 HydrophobicContact CG2-CD1 4.01Å; I101-L105 HydrophobicContact CG2-CG 4.39Å; I101-L105 WeakPolarHBondContact O-CG 3.32Å; I101-L105 PolarHBondContact O-N 2.95Å; I102-L105 CarbonylContact O-C 3.56Å; I102-L105 PolarHBondContact O-N 3.4Å; Q103-L105 VanDerWaalsContact C-N 3.27Å; Q103-L105 PolarHBondContact O-N 3.3Å
106	G	93.8	Very high	93.4	Very high	58 Å²	58	109.4 Å²	109.4	60%	0.598	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	16.9	175	0	0	0	0	0	115.2	I102 Q103 R104 P108	I102-G106 PolarHBondContact O-N 3.23Å; Q103-G106 PolarHBondContact O-N 3.01Å; Q103-G106 VanDerWaalsContact O-N 3.08Å; R104-G106 PolarHBondContact O-N 3.27Å; G106-P108 WeakPolarHBondContact O-CD 3.27Å
107	R	92.4	Very high	93.4	Very high	178 Å²	178	102.2 Å²	102.2	67%	0.672	50%	0.5	S	S	*	.			trans	-121.8	58.1	-179.3	-61.4	-174.3	-176.8	-178	1.1	113	I102 N109 L110	I102-R107 HydrophobicContact CG2-CB 4.27Å; I102-R107 WeakPolarHBondContact CG2-O 3.44Å; I102-R107 PolarHBondContact O-N 3.26Å; R107-N109 PolarHBondContact O-N 2.96Å; R107-N109 VanDerWaalsContact O-N 3.1Å; R107-L110 HydrophobicContact CB-CB 4.47Å; R107-L110 WeakPolarHBondContact O-CB 3.44Å; R107-L110 PolarHBondContact O-N 3.05Å
108	P	89	Confident	93.3	Very high	92 Å²	92	100.3 Å²	100.3	60%	0.597	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.8	-170	26.2	-36	0	0	0	114.7	G106 L110	G106-P108 WeakPolarHBondContact O-CD 3.27Å; P108-L110 VanDerWaalsContact C-N 3.33Å; P108-L110 PolarHBondContact O-N 2.99Å
109	N	89.1	Confident	93.4	Very high	150 Å²	150	102.6 Å²	102.6	80%	0.802	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	2.9	-176.5	-63.3	-29.6	0	0	0	114	R107 K111	R107-N109 PolarHBondContact O-N 2.96Å; R107-N109 VanDerWaalsContact O-N 3.1Å; N109-K111 PolarHBondContact O-N 3.39Å
110	L	91.5	Very high	93.5	Very high	91 Å²	91	99.1 Å²	99.1	48%	0.476	50%	0.5	S	S	.	.			trans	-69.7	127	-178.8	-172.9	64	0	0	0	111	I102 R107 P108 F112	I102-L110 HydrophobicContact CG2-CB 4.11Å; I102-L110 HydrophobicContact CG2-CD2 4.43Å; R107-L110 HydrophobicContact CB-CB 4.47Å; R107-L110 WeakPolarHBondContact O-CB 3.44Å; R107-L110 PolarHBondContact O-N 3.05Å; P108-L110 VanDerWaalsContact C-N 3.33Å; P108-L110 PolarHBondContact O-N 2.99Å; L110-F112 HydrophobicContact CB-CE2 4.25Å; L110-F112 HydrophobicContact CD2-CE2 3.59Å; L110-F112 HydrophobicContact CD2-CZ 3.51Å; L110-F112 HydrophobicContact CG-CD2 4.48Å; L110-F112 HydrophobicContact CG-CE2 3.66Å; L110-F112 HydrophobicContact CG-CZ 4.05Å
111	K	91.8	Very high	93.6	Very high	198 Å²	198	96.3 Å²	96.3	86%	0.861	49%	0.485	S	S	*	.			trans	-103	138.4	178	-64.1	-179.9	-178.4	176.4	0	110.1	N109	N109-K111 PolarHBondContact O-N 3.39Å
112	F	90.5	Very high	93.7	Very high	76 Å²	76	95.5 Å²	95.5	33%	0.333	48%	0.484	S	S	.	.			trans	-108.8	135.4	178.4	-72.6	-99.1	0	0	0	110.6	I102 L110 L117 L120	I102-F112 HydrophobicContact CD1-CD2 3.85Å; I102-F112 HydrophobicContact CD1-CE2 3.04Å; I102-F112 HydrophobicContact CD1-CZ 3.44Å; I102-F112 VanDerWaalsContact CD1-CZ 3.44Å; I102-F112 HydrophobicContact CG1-CE2 3.96Å; I102-F112 HydrophobicContact CG1-CZ 4.01Å; L110-F112 HydrophobicContact CB-CE2 4.25Å; L110-F112 HydrophobicContact CD2-CE2 3.59Å; L110-F112 HydrophobicContact CD2-CZ 3.51Å; L110-F112 HydrophobicContact CG-CD2 4.48Å; L110-F112 HydrophobicContact CG-CE2 3.66Å; L110-F112 HydrophobicContact CG-CZ 4.05Å; F112-L117 HydrophobicContact CB-CD1 4.17Å; F112-L117 HydrophobicContact CB-CD2 3.7Å; F112-L117 HydrophobicContact CB-CG 3.74Å; F112-L117 HydrophobicContact CD1-CD2 4.14Å; F112-L117 HydrophobicContact CG-CD2 3.89Å; F112-L117 HydrophobicContact CG-CG 4.45Å; F112-L120 HydrophobicContact CD1-CD1 4.44Å; F112-L120 HydrophobicContact CE1-CD1 4.28Å
113	Q	94.5	Very high	93.8	Very high	137 Å²	137	96.7 Å²	96.7	64%	0.64	50%	0.501	S	S	*	.			trans	-65.2	148.1	164.7	-167.9	179.1	11	0	0	109.5	L115 A116 L117	Q113-L115 VanDerWaalsContact C-N 3.31Å; Q113-L115 PolarHBondContact O-N 3.39Å; Q113-A116 HydrophobicContact CB-CB 4.36Å; Q113-A116 WeakPolarHBondContact O-CB 3.31Å; Q113-A116 PolarHBondContact O-N 3.39Å; Q113-A116 VanDerWaalsContact O-N 3.13Å; Q113-L117 PolarHBondContact O-N 3.21Å
114	R	90.7	Very high	93.9	Very high	120 Å²	120	91.9 Å²	91.9	45%	0.453	48%	0.484	S	S	.	.	H	α-helix	trans	-54.8	-45.3	176.9	179.7	179.1	160.8	-146.8	-15.1	112.8	A116 L117 E118	R114-A116 VanDerWaalsContact C-N 3.28Å; R114-A116 PolarHBondContact O-N 3.47Å; R114-L117 PolarHBondContact O-N 2.9Å; R114-E118 IonicContact CZ-OE1 2.69Å; R114-E118 VanDerWaalsContact CZ-OE1 3.3Å; R114-E118 IonicContact NE-OE1 3.61Å; R114-E118 PolarHBondContact NE-OE1 2.71Å; R114-E118 IonicContact NH2-OE1 3.61Å; R114-E118 PolarHBondContact NH2-OE1 2.73Å; R114-E118 PolarHBondContact O-N 2.68Å
115	L	94.1	Very high	94	Very high	110 Å²	110	83.4 Å²	83.4	58%	0.576	45%	0.452	S	S	*	.	H	α-helix	trans	-62.9	-34.9	179.4	-66.4	176.9	0	0	0	112.4	Q113 E118 A119	Q113-L115 VanDerWaalsContact C-N 3.31Å; Q113-L115 PolarHBondContact O-N 3.39Å; L115-E118 PolarHBondContact O-N 2.72Å; L115-A119 WeakPolarHBondContact O-CB 3.15Å; L115-A119 PolarHBondContact O-N 3.08Å
116	A	95.4	Very high	94.1	Very high	38 Å²	38	80.7 Å²	80.7	31%	0.314	44%	0.444	S	S	.	.	H	α-helix	trans	-65.8	-41	176.1	0	0	0	0	0	111.7	Q113 R114 A119 L120	Q113-A116 HydrophobicContact CB-CB 4.36Å; Q113-A116 WeakPolarHBondContact O-CB 3.31Å; Q113-A116 PolarHBondContact O-N 3.39Å; Q113-A116 VanDerWaalsContact O-N 3.13Å; R114-A116 VanDerWaalsContact C-N 3.28Å; R114-A116 PolarHBondContact O-N 3.47Å; A116-A119 PolarHBondContact O-N 2.9Å; A116-L120 WeakPolarHBondContact O-CG 3.25Å; A116-L120 PolarHBondContact O-N 3.42Å
117	L	94.6	Very high	94.2	Very high	24 Å²	24	82.7 Å²	82.7	13%	0.126	43%	0.434	C	S	.	.	H	α-helix	trans	-65	-40.9	174.9	-65.3	174.5	0	0	0	111.9	Q95 I98 F112 Q113 R114 L120 Q121	Q95-L117 HydrophobicContact CG-CD1 3.93Å; I98-L117 HydrophobicContact CD1-CD2 3.72Å; I98-L117 HydrophobicContact CG2-CD2 4Å; F112-L117 HydrophobicContact CB-CD1 4.17Å; F112-L117 HydrophobicContact CB-CD2 3.7Å; F112-L117 HydrophobicContact CB-CG 3.74Å; F112-L117 HydrophobicContact CD1-CD2 4.14Å; F112-L117 HydrophobicContact CG-CD2 3.89Å; F112-L117 HydrophobicContact CG-CG 4.45Å; Q113-L117 PolarHBondContact O-N 3.21Å; R114-L117 PolarHBondContact O-N 2.9Å; L117-L120 PolarHBondContact O-N 2.91Å; L117-Q121 WeakPolarHBondContact O-CB 3.38Å; L117-Q121 PolarHBondContact O-N 2.97Å
118	E	94.3	Very high	94.3	Very high	39 Å²	39	78 Å²	78	18%	0.182	42%	0.422	C	S	.	.	H	α-helix	trans	-63.2	-42.9	175.5	-72.1	-179.7	-177.7	0	0	110.9	R91 R114 L115 Q121 T122	R91-E118 IonicContact CZ-OE1 2.73Å; R91-E118 IonicContact NH1-OE1 3.29Å; R91-E118 IonicContact NH2-OE1 2.74Å; R114-E118 IonicContact CZ-OE1 2.69Å; R114-E118 VanDerWaalsContact CZ-OE1 3.3Å; R114-E118 IonicContact NE-OE1 3.61Å; R114-E118 PolarHBondContact NE-OE1 2.71Å; R114-E118 IonicContact NH2-OE1 3.61Å; R114-E118 PolarHBondContact NH2-OE1 2.73Å; R114-E118 PolarHBondContact O-N 2.68Å; L115-E118 PolarHBondContact O-N 2.72Å; E118-Q121 PolarHBondContact O-N 3.49Å; E118-T122 PolarHBondContact O-N 3.29Å; E118-T122 PolarHBondContact O-OG1 2.99Å
119	A	96.5	Very high	94.7	Very high	65 Å²	65	77.4 Å²	77.4	54%	0.537	41%	0.413	S	S	.	.	H	α-helix	trans	-62.5	-45.5	176.5	0	0	0	0	0	112.6	L115 A116 Q121 T122 G123	L115-A119 WeakPolarHBondContact O-CB 3.15Å; L115-A119 PolarHBondContact O-N 3.08Å; A116-A119 PolarHBondContact O-N 2.9Å; A119-Q121 VanDerWaalsContact C-N 3.26Å; A119-Q121 PolarHBondContact O-N 3.31Å; A119-T122 PolarHBondContact O-N 3.25Å; A119-G123 PolarHBondContact O-N 3.4Å
120	L	96.3	Very high	95	Very high	86 Å²	86	71 Å²	71	45%	0.45	38%	0.382	S	S	.	.	H	α-helix	trans	-59.4	-40.2	174.5	-72.3	173.5	0	0	0	111.4	F94 I98 F112 A116 L117 A124	F94-L120 HydrophobicContact CE1-CB 4.35Å; I98-L120 HydrophobicContact CD1-CB 4.16Å; I98-L120 HydrophobicContact CD1-CD1 3.97Å; F112-L120 HydrophobicContact CD1-CD1 4.44Å; F112-L120 HydrophobicContact CE1-CD1 4.28Å; A116-L120 WeakPolarHBondContact O-CG 3.25Å; A116-L120 PolarHBondContact O-N 3.42Å; L117-L120 PolarHBondContact O-N 2.91Å; L120-A124 WeakPolarHBondContact O-CB 3.36Å; L120-A124 PolarHBondContact O-N 3.39Å
121	Q	97	Very high	95.2	Very high	4 Å²	4	67.5 Å²	67.5	2%	0.019	36%	0.364	C	S	.	.	H	α-helix	trans	-67.2	-48.8	178.8	-168	177.1	-24.2	0	0	112.1	L87 I89 F94 L117 E118 A119 G123 A124 E125	L87-Q121 HydrophobicContact CD1-CG 4.47Å; L87-Q121 HydrophobicContact CD2-CG 4.22Å; I89-Q121 PolarHBondContact O-NE2 3.32Å; F94-Q121 HydrophobicContact CD1-CB 3.62Å; F94-Q121 HydrophobicContact CD1-CG 3.68Å; F94-Q121 HydrophobicContact CD2-CG 4.24Å; F94-Q121 HydrophobicContact CE1-CB 3.35Å; F94-Q121 HydrophobicContact CE1-CG 3.77Å; F94-Q121 HydrophobicContact CE2-CG 4.35Å; F94-Q121 HydrophobicContact CG-CB 4.36Å; F94-Q121 HydrophobicContact CG-CG 3.92Å; F94-Q121 VanDerWaalsContact CZ-CA 3.43Å; F94-Q121 HydrophobicContact CZ-CB 3.96Å; F94-Q121 HydrophobicContact CZ-CG 4.14Å; L117-Q121 WeakPolarHBondContact O-CB 3.38Å; L117-Q121 PolarHBondContact O-N 2.97Å; E118-Q121 PolarHBondContact O-N 3.49Å; A119-Q121 VanDerWaalsContact C-N 3.26Å; A119-Q121 PolarHBondContact O-N 3.31Å; Q121-G123 VanDerWaalsContact C-N 3.31Å; Q121-G123 PolarHBondContact O-N 2.72Å; Q121-A124 PolarHBondContact O-N 3.32Å; Q121-E125 HydrophobicContact CG-CG 4.42Å; Q121-E125 PolarHBondContact NE2-OE1 3.45Å; Q121-E125 PolarHBondContact O-N 2.91Å
122	T	96.4	Very high	95.4	Very high	69 Å²	69	63.2 Å²	63.2	42%	0.423	35%	0.349	S	S	.	.	H	α-helix	trans	-56.4	-47.9	176.7	-57.7	0	0	0	0	110.5	E118 A119 A124 E125 S126	E118-T122 PolarHBondContact O-N 3.29Å; E118-T122 PolarHBondContact O-OG1 2.99Å; A119-T122 PolarHBondContact O-N 3.25Å; T122-A124 PolarHBondContact O-N 3.35Å; T122-E125 PolarHBondContact O-N 3.17Å; T122-S126 WeakPolarHBondContact O-CB 3.35Å; T122-S126 PolarHBondContact O-N 3.43Å; T122-S126 PolarHBondContact O-OG 3.26Å
123	G	97.2	Very high	95.7	Very high	42 Å²	42	65.1 Å²	65.1	43%	0.433	36%	0.358	S	S	.	.	H	α-helix	trans	-60.4	-45	178.1	0	0	0	0	0	113	A119 Q121 Y127	A119-G123 PolarHBondContact O-N 3.4Å; Q121-G123 VanDerWaalsContact C-N 3.31Å; Q121-G123 PolarHBondContact O-N 2.72Å; G123-Y127 WeakPolarHBondContact O-CB 3.28Å; G123-Y127 PolarHBondContact O-N 2.85Å
124	A	97.2	Very high	95.7	Very high	33 Å²	33	61.5 Å²	61.5	27%	0.273	34%	0.343	S	S	.	.	H	α-helix	trans	-64.6	-44.6	178.2	0	0	0	0	0	112.5	F94 L120 Q121 T122 Y127 L128	F94-A124 HydrophobicContact CE2-CB 3.91Å; F94-A124 HydrophobicContact CZ-CB 3.87Å; L120-A124 WeakPolarHBondContact O-CB 3.36Å; L120-A124 PolarHBondContact O-N 3.39Å; Q121-A124 PolarHBondContact O-N 3.32Å; T122-A124 PolarHBondContact O-N 3.35Å; A124-Y127 PolarHBondContact O-N 3.41Å; A124-L128 VanDerWaalsContact O-CG 3.31Å; A124-L128 WeakPolarHBondContact O-CG 3.36Å; A124-L128 PolarHBondContact O-N 3.04Å
125	E	97.3	Very high	96.1	Very high	13 Å²	13	55.8 Å²	55.8	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-65.9	-44	177.6	-73	-171.4	-159.2	0	0	111.8	L87 L88 I89 Q121 T122 Y127 L128 I129	L87-E125 WeakPolarHBondContact CA-OE2 2.96Å; L88-E125 PolarHBondContact N-OE1 3.02Å; L88-E125 PolarHBondContact N-OE2 3.16Å; I89-E125 WeakPolarHBondContact CA-OE1 3.45Å; I89-E125 HydrophobicContact CB-CG 4.48Å; I89-E125 WeakPolarHBondContact CB-OE1 3.05Å; I89-E125 HydrophobicContact CD1-CG 3.75Å; I89-E125 HydrophobicContact CG1-CG 3.96Å; I89-E125 WeakPolarHBondContact CG1-OE1 3.42Å; I89-E125 PolarHBondContact N-OE1 3.17Å; Q121-E125 HydrophobicContact CG-CG 4.42Å; Q121-E125 PolarHBondContact NE2-OE1 3.45Å; Q121-E125 PolarHBondContact O-N 2.91Å; T122-E125 PolarHBondContact O-N 3.17Å; E125-Y127 VanDerWaalsContact C-N 3.31Å; E125-Y127 PolarHBondContact O-N 3.13Å; E125-L128 PolarHBondContact O-N 3.24Å; E125-I129 VanDerWaalsContact O-CG1 3.26Å; E125-I129 WeakPolarHBondContact O-CG1 3.45Å; E125-I129 PolarHBondContact O-N 2.91Å
126	S	96.2	Very high	96.2	Very high	71 Å²	71	53.9 Å²	53.9	50%	0.497	31%	0.312	S	S	.	.	H	α-helix	trans	-59.8	-41.5	175.7	-66	0	0	0	0	112.2	T122 I129 G130	T122-S126 WeakPolarHBondContact O-CB 3.35Å; T122-S126 PolarHBondContact O-N 3.43Å; T122-S126 PolarHBondContact O-OG 3.26Å; S126-I129 PolarHBondContact O-N 3.48Å; S126-G130 PolarHBondContact O-N 2.99Å
127	Y	95.8	Very high	96.3	Very high	100 Å²	100	57.4 Å²	57.4	39%	0.392	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-46.7	175.1	170.8	-100.7	0	0	0	111.9	G123 A124 E125 I129 G130 L131 E161	G123-Y127 WeakPolarHBondContact O-CB 3.28Å; G123-Y127 PolarHBondContact O-N 2.85Å; A124-Y127 PolarHBondContact O-N 3.41Å; E125-Y127 VanDerWaalsContact C-N 3.31Å; E125-Y127 PolarHBondContact O-N 3.13Å; Y127-I129 PolarHBondContact O-N 3.08Å; Y127-G130 PolarHBondContact O-N 3.47Å; Y127-L131 WeakPolarHBondContact O-CB 3.41Å; Y127-L131 PolarHBondContact O-N 3.41Å; Y127-E161 WeakPolarHBondContact CE2-OE1 3.39Å; Y127-E161 WeakPolarHBondContact CE2-OE2 3.4Å; Y127-E161 VanDerWaalsContact OH-CD 3.28Å; Y127-E161 PolarHBondContact OH-OE2 3.31Å
128	L	96	Very high	96.4	Very high	80 Å²	80	57 Å²	57	42%	0.419	33%	0.326	S	S	.	.	H	α-helix	trans	-62.8	-41.1	177.5	-69.9	174.6	0	0	0	112.2	I89 A124 E125 L131 M132	I89-L128 HydrophobicContact CD1-CD1 4.3Å; A124-L128 VanDerWaalsContact O-CG 3.31Å; A124-L128 WeakPolarHBondContact O-CG 3.36Å; A124-L128 PolarHBondContact O-N 3.04Å; E125-L128 PolarHBondContact O-N 3.24Å; L128-L131 PolarHBondContact O-N 2.92Å; L128-M132 WeakPolarHBondContact O-CB 3.48Å; L128-M132 VanDerWaalsContact O-CG 3.27Å; L128-M132 WeakPolarHBondContact O-CG 3.44Å; L128-M132 PolarHBondContact O-N 3.49Å
129	I	95.9	Very high	96.6	Very high	80 Å²	80	55.2 Å²	55.2	41%	0.41	32%	0.317	S	S	.	.	H	α-helix	trans	-59.1	-52.2	175.4	-69.3	162.6	0	0	0	109.7	E125 S126 Y127 L131 M132 E133	E125-I129 VanDerWaalsContact O-CG1 3.26Å; E125-I129 WeakPolarHBondContact O-CG1 3.45Å; E125-I129 PolarHBondContact O-N 2.91Å; S126-I129 PolarHBondContact O-N 3.48Å; Y127-I129 PolarHBondContact O-N 3.08Å; I129-L131 VanDerWaalsContact C-N 3.3Å; I129-L131 PolarHBondContact O-N 3.39Å; I129-M132 PolarHBondContact O-N 2.69Å; I129-M132 VanDerWaalsContact O-N 3.08Å; I129-E133 WeakPolarHBondContact O-CG 3.34Å; I129-E133 PolarHBondContact O-N 2.99Å
130	G	95.3	Very high	96.6	Very high	15 Å²	15	56.7 Å²	56.7	16%	0.155	32%	0.315	C	S	.	.	H	α-helix	trans	-56.9	-44.3	177.5	0	0	0	0	0	111.6	S126 Y127 M132 E133 D134 R159	S126-G130 PolarHBondContact O-N 2.99Å; Y127-G130 PolarHBondContact O-N 3.47Å; G130-M132 VanDerWaalsContact C-N 3.31Å; G130-M132 PolarHBondContact O-N 2.88Å; G130-E133 WeakPolarHBondContact O-CB 3.47Å; G130-E133 PolarHBondContact O-N 3.46Å; G130-D134 PolarHBondContact O-N 3.45Å; G130-R159 PolarHBondContact O-NH2 3.41Å
131	L	95.7	Very high	96.6	Very high	17 Å²	17	60.7 Å²	60.7	9%	0.089	33%	0.331	C	S	.	.	H	α-helix	trans	-62.3	-39.1	178	178.7	62	0	0	0	112.3	Y127 L128 I129 E133 D134 T135 I152 A155 L156 R159	Y127-L131 WeakPolarHBondContact O-CB 3.41Å; Y127-L131 PolarHBondContact O-N 3.41Å; L128-L131 PolarHBondContact O-N 2.92Å; I129-L131 VanDerWaalsContact C-N 3.3Å; I129-L131 PolarHBondContact O-N 3.39Å; L131-E133 VanDerWaalsContact C-N 3.33Å; L131-D134 PolarHBondContact O-N 3.05Å; L131-T135 WeakPolarHBondContact O-CB 3.44Å; L131-T135 PolarHBondContact O-N 3.05Å; L131-T135 PolarHBondContact O-OG1 2.98Å; L131-I152 HydrophobicContact CD2-CG2 4.37Å; L131-A155 HydrophobicContact CD1-CB 3.95Å; L131-L156 HydrophobicContact CD1-CD2 3.64Å; L131-L156 HydrophobicContact CD1-CG 3.88Å; L131-L156 HydrophobicContact CD2-CD2 3.84Å; L131-L156 HydrophobicContact CD2-CG 4.34Å; L131-L156 HydrophobicContact CG-CD2 4.41Å; L131-R159 VanDerWaalsContact CA-NH1 3.29Å
132	M	96.4	Very high	96.7	Very high	109 Å²	109	62.7 Å²	62.7	54%	0.537	35%	0.349	S	S	.	.	H	α-helix	trans	-69.9	-29.8	177.7	-72.8	-176.2	70.2	0	0	112.8	L128 I129 G130 N136 I147	L128-M132 WeakPolarHBondContact O-CB 3.48Å; L128-M132 VanDerWaalsContact O-CG 3.27Å; L128-M132 WeakPolarHBondContact O-CG 3.44Å; L128-M132 PolarHBondContact O-N 3.49Å; I129-M132 PolarHBondContact O-N 2.69Å; I129-M132 VanDerWaalsContact O-N 3.08Å; G130-M132 VanDerWaalsContact C-N 3.31Å; G130-M132 PolarHBondContact O-N 2.88Å; M132-N136 VanDerWaalsContact O-CB 3.26Å; M132-N136 WeakPolarHBondContact O-CB 3.46Å; M132-N136 PolarHBondContact O-N 3.12Å; M132-I147 HydrophobicContact CE-CD1 4.14Å
133	E	96.2	Very high	96.7	Very high	116 Å²	116	68.8 Å²	68.8	54%	0.542	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-51.3	172.4	-71.5	172.1	179	0	0	110.9	I129 G130 L131 T135 N136 L137	I129-E133 WeakPolarHBondContact O-CG 3.34Å; I129-E133 PolarHBondContact O-N 2.99Å; G130-E133 WeakPolarHBondContact O-CB 3.47Å; G130-E133 PolarHBondContact O-N 3.46Å; L131-E133 VanDerWaalsContact C-N 3.33Å; E133-T135 VanDerWaalsContact C-N 3.31Å; E133-T135 PolarHBondContact O-N 3.15Å; E133-N136 WeakPolarHBondContact O-CB 3.26Å; E133-N136 PolarHBondContact O-N 2.86Å; E133-N136 VanDerWaalsContact O-N 3.12Å; E133-L137 WeakPolarHBondContact O-CG 3.24Å; E133-L137 PolarHBondContact O-N 3.27Å
134	D	96.5	Very high	96.7	Very high	60 Å²	60	69.2 Å²	69.2	32%	0.321	36%	0.358	S	S	.	.	H	α-helix	trans	-62.8	-40	176.7	-73.3	0.8	0	0	0	111.9	G130 L131 N136 L137 A138 A155 R159	G130-D134 PolarHBondContact O-N 3.45Å; L131-D134 PolarHBondContact O-N 3.05Å; D134-N136 VanDerWaalsContact C-N 3.3Å; D134-N136 PolarHBondContact O-N 3.43Å; D134-L137 PolarHBondContact O-N 2.84Å; D134-A138 PolarHBondContact O-N 2.74Å; D134-A155 HydrophobicContact CB-CB 3.85Å; D134-R159 IonicContact OD1-NH2 3.68Å; D134-R159 IonicContact OD2-CZ 3.3Å; D134-R159 IonicContact OD2-NE 3.3Å; D134-R159 PolarHBondContact OD2-NE 3.31Å; D134-R159 IonicContact OD2-NH2 3.53Å; D134-R159 PolarHBondContact OD2-NH2 3.22Å
135	T	97.4	Very high	96.4	Very high	1 Å²	1	76.9 Å²	76.9	1%	0.006	39%	0.388	C	S	.	.	H	α-helix	trans	-59.6	-42.8	174.5	-61.1	0	0	0	0	111.1	L131 E133 A138 C139 I147 D151 I152	L131-T135 WeakPolarHBondContact O-CB 3.44Å; L131-T135 PolarHBondContact O-N 3.05Å; L131-T135 PolarHBondContact O-OG1 2.98Å; E133-T135 VanDerWaalsContact C-N 3.31Å; E133-T135 PolarHBondContact O-N 3.15Å; T135-A138 PolarHBondContact O-N 3.4Å; T135-C139 WeakPolarHBondContact O-CB 3.25Å; T135-C139 PolarHBondContact O-N 3.22Å; T135-I147 HydrophobicContact CG2-CB 3.92Å; T135-I147 HydrophobicContact CG2-CD1 4.45Å; T135-I147 HydrophobicContact CG2-CG2 3.93Å; T135-D151 HydrophobicContact CG2-CB 3.71Å; T135-I152 HydrophobicContact CG2-CB 4.4Å; T135-I152 HydrophobicContact CG2-CG1 3.45Å; T135-I152 VanDerWaalsContact CG2-CG1 3.45Å
136	N	97.3	Very high	96.3	Very high	69 Å²	69	81 Å²	81	37%	0.369	41%	0.414	S	S	.	.	H	α-helix	trans	-66.7	-40.1	178.2	-177.3	56.3	0	0	0	111.4	M132 E133 D134 A138 C139 I140 I147	M132-N136 VanDerWaalsContact O-CB 3.26Å; M132-N136 WeakPolarHBondContact O-CB 3.46Å; M132-N136 PolarHBondContact O-N 3.12Å; E133-N136 WeakPolarHBondContact O-CB 3.26Å; E133-N136 PolarHBondContact O-N 2.86Å; E133-N136 VanDerWaalsContact O-N 3.12Å; D134-N136 VanDerWaalsContact C-N 3.3Å; D134-N136 PolarHBondContact O-N 3.43Å; N136-A138 PolarHBondContact O-N 2.95Å; N136-C139 WeakPolarHBondContact O-CB 3.43Å; N136-C139 PolarHBondContact O-N 3.4Å; N136-I140 VanDerWaalsContact O-CG1 3.3Å; N136-I140 WeakPolarHBondContact O-CG1 3.47Å; N136-I140 PolarHBondContact O-N 3.46Å; N136-I147 HydrophobicContact CB-CG2 4.36Å
137	L	97.1	Very high	96.3	Very high	112 Å²	112	80.8 Å²	80.8	59%	0.586	41%	0.407	S	S	*	.	H	α-helix	trans	-59.9	-44.9	173.8	-67.9	175.7	0	0	0	111.8	E133 D134 C139 I140 H141	E133-L137 WeakPolarHBondContact O-CG 3.24Å; E133-L137 PolarHBondContact O-N 3.27Å; D134-L137 PolarHBondContact O-N 2.84Å; L137-C139 VanDerWaalsContact C-N 3.33Å; L137-C139 PolarHBondContact O-N 3.16Å; L137-I140 PolarHBondContact O-N 2.93Å; L137-H141 WeakPolarHBondContact O-CB 3.26Å; L137-H141 PolarHBondContact O-N 2.89Å
138	A	96.5	Very high	96.4	Very high	17 Å²	17	79.5 Å²	79.5	14%	0.14	41%	0.405	C	S	.	.	H	α-helix	trans	-62.1	-38.9	174.7	0	0	0	0	0	112.8	D134 T135 N136 H141 A142 D151 L154	D134-A138 PolarHBondContact O-N 2.74Å; T135-A138 PolarHBondContact O-N 3.4Å; N136-A138 PolarHBondContact O-N 2.95Å; A138-H141 WeakPolarHBondContact O-CB 3.31Å; A138-H141 PolarHBondContact O-N 2.94Å; A138-A142 PolarHBondContact O-N 3.28Å; A138-A142 VanDerWaalsContact O-N 3.15Å; A138-D151 HydrophobicContact CB-CB 4.17Å; A138-L154 HydrophobicContact CB-CD2 4.07Å
139	C	98	Very high	96.4	Very high	0 Å²	0	80.3 Å²	80.3	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-63.2	-45.7	175.2	177	0	0	0	0	112.1	T135 N136 L137 H141 A142 K143 R144 T146 I147	T135-C139 WeakPolarHBondContact O-CB 3.25Å; T135-C139 PolarHBondContact O-N 3.22Å; N136-C139 WeakPolarHBondContact O-CB 3.43Å; N136-C139 PolarHBondContact O-N 3.4Å; L137-C139 VanDerWaalsContact C-N 3.33Å; L137-C139 PolarHBondContact O-N 3.16Å; C139-H141 VanDerWaalsContact C-N 3.34Å; C139-A142 CarbonylContact O-C 3.45Å; C139-A142 PolarHBondContact O-N 2.81Å; C139-A142 VanDerWaalsContact O-N 3.15Å; C139-K143 PolarHBondContact O-N 3.04Å; C139-R144 CarbonylContact C-O 3.18Å; C139-R144 PolarHBondContact O-N 3.38Å; C139-R144 VanDerWaalsContact SG-CB 3.52Å; C139-R144 PolarHBondContact SG-O 3.04Å; C139-T146 PolarHBondContact SG-O 3.42Å; C139-I147 HydrophobicContact CB-CG2 3.9Å
140	I	97.3	Very high	96.4	Very high	97 Å²	97	82.3 Å²	82.3	50%	0.497	42%	0.421	S	S	.	.	H	α-helix	trans	-64.8	-40.3	178.1	-68.7	166.7	0	0	0	110.6	N136 L137 A142 K143	N136-I140 VanDerWaalsContact O-CG1 3.3Å; N136-I140 WeakPolarHBondContact O-CG1 3.47Å; N136-I140 PolarHBondContact O-N 3.46Å; L137-I140 PolarHBondContact O-N 2.93Å; I140-A142 PolarHBondContact O-N 3.35Å; I140-K143 WeakPolarHBondContact O-CA 3.22Å; I140-K143 PolarHBondContact O-N 3.12Å
141	H	97	Very high	96.5	Very high	169 Å²	169	82 Å²	82	78%	0.782	42%	0.415	S	S	*	.	H	α-helix	trans	-56.7	-37.7	174.2	-177.3	75.4	0	0	0	111.7	L137 A138 C139 K143	L137-H141 WeakPolarHBondContact O-CB 3.26Å; L137-H141 PolarHBondContact O-N 2.89Å; A138-H141 WeakPolarHBondContact O-CB 3.31Å; A138-H141 PolarHBondContact O-N 2.94Å; C139-H141 VanDerWaalsContact C-N 3.34Å; H141-K143 PolarHBondContact O-N 3.26Å
142	A	97.5	Very high	96.5	Very high	47 Å²	47	84.2 Å²	84.2	39%	0.388	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	16.6	173.7	0	0	0	0	0	114.4	A138 C139 I140 R144	A138-A142 PolarHBondContact O-N 3.28Å; A138-A142 VanDerWaalsContact O-N 3.15Å; C139-A142 CarbonylContact O-C 3.45Å; C139-A142 PolarHBondContact O-N 2.81Å; C139-A142 VanDerWaalsContact O-N 3.15Å; I140-A142 PolarHBondContact O-N 3.35Å; A142-R144 PolarHBondContact O-N 2.88Å
143	K	97.7	Very high	96.4	Very high	197 Å²	197	86.2 Å²	86.2	86%	0.857	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	30.6	179.7	-55.9	179	-178.8	177.5	0	114	C139 I140 H141	C139-K143 PolarHBondContact O-N 3.04Å; I140-K143 WeakPolarHBondContact O-CA 3.22Å; I140-K143 PolarHBondContact O-N 3.12Å; H141-K143 PolarHBondContact O-N 3.26Å
144	R	96.5	Very high	96.3	Very high	50 Å²	50	84.6 Å²	84.6	19%	0.189	43%	0.427	C	S	.	.			trans	-113.3	155.6	177.6	-73.2	175.7	-69.7	108.8	-4.1	111	C139 A142 T146 D151	C139-R144 CarbonylContact C-O 3.18Å; C139-R144 PolarHBondContact O-N 3.38Å; C139-R144 VanDerWaalsContact SG-CB 3.52Å; C139-R144 PolarHBondContact SG-O 3.04Å; A142-R144 PolarHBondContact O-N 2.88Å; R144-T146 PolarHBondContact NH1-O 2.91Å; R144-T146 VanDerWaalsContact NH1-O 3.15Å; R144-D151 IonicContact CZ-OD1 3.35Å; R144-D151 IonicContact CZ-OD2 3.31Å; R144-D151 IonicContact NH1-OD1 3.29Å; R144-D151 IonicContact NH1-OD2 2.69Å; R144-D151 PolarHBondContact NH1-OD2 2.99Å; R144-D151 IonicContact NH2-OD1 3.51Å; R144-D151 PolarHBondContact NH2-OD1 3.24Å; R144-D151 IonicContact NH2-OD2 2.81Å; R144-D151 PolarHBondContact NH2-OD2 3.14Å
145	Q	91.7	Very high	96.2	Very high	194 Å²	194	81.9 Å²	81.9	91%	0.907	41%	0.413	S	S	*	.	S	Bend	trans	-106.9	-4.3	173	-65	-177.5	-17.7	0	0	112.9
146	T	95.2	Very high	96.1	Very high	100 Å²	100	82.5 Å²	82.5	61%	0.613	42%	0.417	S	S	*	.	S	Bend	trans	-116.2	113	-179.5	-53.9	0	0	0	0	108.6	C139 R144	C139-T146 PolarHBondContact SG-O 3.42Å; R144-T146 PolarHBondContact NH1-O 2.91Å; R144-T146 VanDerWaalsContact NH1-O 3.15Å
147	I	95.8	Very high	95.9	Very high	66 Å²	66	88.5 Å²	88.5	34%	0.338	43%	0.434	S	S	.	.			trans	-60.9	144.3	174.6	59	169.2	0	0	0	110.3	M132 T135 N136 C139	M132-I147 HydrophobicContact CE-CD1 4.14Å; T135-I147 HydrophobicContact CG2-CB 3.92Å; T135-I147 HydrophobicContact CG2-CD1 4.45Å; T135-I147 HydrophobicContact CG2-CG2 3.93Å; N136-I147 HydrophobicContact CB-CG2 4.36Å; C139-I147 HydrophobicContact CB-CG2 3.9Å
148	M	97.4	Very high	95.7	Very high	74 Å²	74	89 Å²	89	37%	0.365	44%	0.436	S	S	.	.			trans	-129.5	159.5	-179.5	-66.8	-179.2	176.3	0	0	110.5	K150 D151 I152	M148-K150 HydrophobicContact CB-CG 3.99Å; M148-K150 PolarHBondContact O-N 3.26Å; M148-D151 PolarHBondContact N-OD2 2.81Å; M148-D151 WeakPolarHBondContact O-CB 3.41Å; M148-D151 PolarHBondContact O-N 3.06Å; M148-I152 PolarHBondContact O-N 2.79Å
149	P	96.7	Very high	95.4	Very high	96 Å²	96	91.3 Å²	91.3	62%	0.623	44%	0.442	S	S	*	.	H	α-helix	trans	-55.4	-28.8	178.3	-28.2	35.8	0	0	0	114.4	D151 I152 K153	P149-D151 VanDerWaalsContact C-N 3.3Å; P149-D151 PolarHBondContact O-N 3.42Å; P149-I152 PolarHBondContact O-N 2.78Å; P149-K153 WeakPolarHBondContact O-CG 3.42Å; P149-K153 PolarHBondContact O-N 2.91Å
150	K	95.2	Very high	94.9	Very high	123 Å²	123	98.2 Å²	98.2	54%	0.535	47%	0.474	S	S	.	.	H	α-helix	trans	-65.8	-31.2	174.8	64.5	-177.9	-179.3	-177.4	0	113.4	M148 L154	M148-K150 HydrophobicContact CB-CG 3.99Å; M148-K150 PolarHBondContact O-N 3.26Å; K150-L154 WeakPolarHBondContact O-CB 3.48Å; K150-L154 PolarHBondContact O-N 3.35Å
151	D	96.9	Very high	94.1	Very high	7 Å²	7	96.7 Å²	96.7	4%	0.037	46%	0.464	C	S	.	.	H	α-helix	trans	-72.7	-39.8	177.8	-53.5	-39.5	0	0	0	109.8	T135 A138 R144 M148 P149 L154 A155	T135-D151 HydrophobicContact CG2-CB 3.71Å; A138-D151 HydrophobicContact CB-CB 4.17Å; R144-D151 IonicContact CZ-OD1 3.35Å; R144-D151 IonicContact CZ-OD2 3.31Å; R144-D151 IonicContact NH1-OD1 3.29Å; R144-D151 IonicContact NH1-OD2 2.69Å; R144-D151 PolarHBondContact NH1-OD2 2.99Å; R144-D151 IonicContact NH2-OD1 3.51Å; R144-D151 PolarHBondContact NH2-OD1 3.24Å; R144-D151 IonicContact NH2-OD2 2.81Å; R144-D151 PolarHBondContact NH2-OD2 3.14Å; M148-D151 PolarHBondContact N-OD2 2.81Å; M148-D151 WeakPolarHBondContact O-CB 3.41Å; M148-D151 PolarHBondContact O-N 3.06Å; P149-D151 VanDerWaalsContact C-N 3.3Å; P149-D151 PolarHBondContact O-N 3.42Å; D151-L154 PolarHBondContact O-N 3.43Å; D151-A155 WeakPolarHBondContact O-CB 3.5Å; D151-A155 PolarHBondContact O-N 3.35Å
152	I	95.4	Very high	92.4	Very high	65 Å²	65	96.5 Å²	96.5	33%	0.333	46%	0.461	S	S	.	.	H	α-helix	trans	-63.5	-47.1	175	-59.4	173.1	0	0	0	110.1	L131 T135 M148 P149 L154 A155 L156	L131-I152 HydrophobicContact CD2-CG2 4.37Å; T135-I152 HydrophobicContact CG2-CB 4.4Å; T135-I152 HydrophobicContact CG2-CG1 3.45Å; T135-I152 VanDerWaalsContact CG2-CG1 3.45Å; M148-I152 PolarHBondContact O-N 2.79Å; P149-I152 PolarHBondContact O-N 2.78Å; I152-L154 VanDerWaalsContact C-N 3.28Å; I152-L154 PolarHBondContact O-N 2.88Å; I152-A155 PolarHBondContact O-N 3.15Å; I152-L156 HydrophobicContact CG2-CD1 3.91Å; I152-L156 HydrophobicContact CG2-CG 4.34Å; I152-L156 WeakPolarHBondContact O-CB 3.3Å; I152-L156 WeakPolarHBondContact O-CG 3.41Å; I152-L156 PolarHBondContact O-N 3.15Å
153	K	94.7	Very high	90.5	Very high	150 Å²	150	101 Å²	101	65%	0.652	48%	0.479	S	S	*	.	H	α-helix	trans	-58.6	-40.5	176.4	-73.8	177.5	-180	-171.5	0	112	P149 R157	P149-K153 WeakPolarHBondContact O-CG 3.42Å; P149-K153 PolarHBondContact O-N 2.91Å; K153-R157 VanDerWaalsContact O-CB 3.28Å; K153-R157 WeakPolarHBondContact O-CB 3.44Å; K153-R157 PolarHBondContact O-N 3Å
154	L	94.8	Very high	87.9	Confident	82 Å²	82	102.7 Å²	102.7	43%	0.429	50%	0.496	S	S	.	.	H	α-helix	trans	-64.8	-47.7	175.7	-179.1	62.8	0	0	0	111.1	A138 K150 D151 I152 L156 R157 L158	A138-L154 HydrophobicContact CB-CD2 4.07Å; K150-L154 WeakPolarHBondContact O-CB 3.48Å; K150-L154 PolarHBondContact O-N 3.35Å; D151-L154 PolarHBondContact O-N 3.43Å; I152-L154 VanDerWaalsContact C-N 3.28Å; I152-L154 PolarHBondContact O-N 2.88Å; L154-L156 PolarHBondContact O-N 2.85Å; L154-R157 PolarHBondContact O-N 3.4Å; L154-L158 HydrophobicContact CD1-CD1 4.24Å; L154-L158 HydrophobicContact CD1-CG 4.28Å; L154-L158 HydrophobicContact CG-CD1 4.11Å; L154-L158 WeakPolarHBondContact O-CG 3.24Å; L154-L158 PolarHBondContact O-N 3.05Å
155	A	94.5	Very high	87.5	Confident	4 Å²	4	105.4 Å²	105.4	3%	0.033	51%	0.511	C	S	.	.	H	α-helix	trans	-58.6	-48.5	178.4	0	0	0	0	0	111.9	L131 D134 D151 I152 R157 L158 R159	L131-A155 HydrophobicContact CD1-CB 3.95Å; D134-A155 HydrophobicContact CB-CB 3.85Å; D151-A155 WeakPolarHBondContact O-CB 3.5Å; D151-A155 PolarHBondContact O-N 3.35Å; I152-A155 PolarHBondContact O-N 3.15Å; A155-R157 VanDerWaalsContact C-N 3.32Å; A155-R157 PolarHBondContact O-N 3.16Å; A155-L158 PolarHBondContact O-N 2.9Å; A155-R159 WeakPolarHBondContact O-CG 3.42Å; A155-R159 PolarHBondContact O-N 3.27Å
156	L	94.7	Very high	87.3	Confident	14 Å²	14	100.7 Å²	100.7	7%	0.073	49%	0.49	C	S	.	.	H	α-helix	trans	-59.6	-42.2	176.1	-71	170.8	0	0	0	112.2	L131 I152 L154 L158 R159 H160 E161 L163	L131-L156 HydrophobicContact CD1-CD2 3.64Å; L131-L156 HydrophobicContact CD1-CG 3.88Å; L131-L156 HydrophobicContact CD2-CD2 3.84Å; L131-L156 HydrophobicContact CD2-CG 4.34Å; L131-L156 HydrophobicContact CG-CD2 4.41Å; I152-L156 HydrophobicContact CG2-CD1 3.91Å; I152-L156 HydrophobicContact CG2-CG 4.34Å; I152-L156 WeakPolarHBondContact O-CB 3.3Å; I152-L156 WeakPolarHBondContact O-CG 3.41Å; I152-L156 PolarHBondContact O-N 3.15Å; L154-L156 PolarHBondContact O-N 2.85Å; L156-L158 PolarHBondContact O-N 2.91Å; L156-R159 PolarHBondContact O-N 3.44Å; L156-H160 PolarHBondContact O-N 3.49Å; L156-E161 HydrophobicContact CD2-CB 4.09Å; L156-E161 WeakPolarHBondContact CD2-OE2 3.42Å; L156-E161 PolarHBondContact O-N 3.46Å; L156-L163 HydrophobicContact CD1-CD1 3.44Å; L156-L163 VanDerWaalsContact CD1-CD1 3.44Å; L156-L163 HydrophobicContact CD1-CG 4Å
157	R	93.4	Very high	86.8	Confident	195 Å²	195	100.7 Å²	100.7	74%	0.736	48%	0.483	S	S	*	.	H	α-helix	trans	-62.8	-42	177.4	-175	174.1	-176.4	165.8	2.1	112	K153 L154 A155 R159 H160	K153-R157 VanDerWaalsContact O-CB 3.28Å; K153-R157 WeakPolarHBondContact O-CB 3.44Å; K153-R157 PolarHBondContact O-N 3Å; L154-R157 PolarHBondContact O-N 3.4Å; A155-R157 VanDerWaalsContact C-N 3.32Å; A155-R157 PolarHBondContact O-N 3.16Å; R157-R159 VanDerWaalsContact C-N 3.32Å; R157-H160 PolarHBondContact O-N 3.21Å
158	L	92.3	Very high	86.3	Confident	121 Å²	121	102.8 Å²	102.8	63%	0.634	49%	0.492	S	S	*	.	H	α-helix	trans	-70.3	-29.7	177.8	-68.1	175	0	0	0	112.5	L154 A155 L156 H160	L154-L158 HydrophobicContact CD1-CD1 4.24Å; L154-L158 HydrophobicContact CD1-CG 4.28Å; L154-L158 HydrophobicContact CG-CD1 4.11Å; L154-L158 WeakPolarHBondContact O-CG 3.24Å; L154-L158 PolarHBondContact O-N 3.05Å; A155-L158 PolarHBondContact O-N 2.9Å; L156-L158 PolarHBondContact O-N 2.91Å; L158-H160 PolarHBondContact O-CE1 3.47Å; L158-H160 PolarHBondContact O-N 3.44Å; L158-H160 PolarHBondContact O-ND1 3.15Å
159	R	91.4	Very high	85.6	Confident	67 Å²	67	104.6 Å²	104.6	25%	0.253	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-6.4	173.6	-72.7	179.6	175.3	-152.1	-9.2	114.3	G130 L131 D134 A155 L156 R157 E161	G130-R159 PolarHBondContact O-NH2 3.41Å; L131-R159 VanDerWaalsContact CA-NH1 3.29Å; D134-R159 IonicContact OD1-NH2 3.68Å; D134-R159 IonicContact OD2-CZ 3.3Å; D134-R159 IonicContact OD2-NE 3.3Å; D134-R159 PolarHBondContact OD2-NE 3.31Å; D134-R159 IonicContact OD2-NH2 3.53Å; D134-R159 PolarHBondContact OD2-NH2 3.22Å; A155-R159 WeakPolarHBondContact O-CG 3.42Å; A155-R159 PolarHBondContact O-N 3.27Å; L156-R159 PolarHBondContact O-N 3.44Å; R157-R159 VanDerWaalsContact C-N 3.32Å; R159-E161 HydrophobicContact CB-CB 4.3Å; R159-E161 HydrophobicContact CB-CG 3.92Å; R159-E161 PolarHBondContact O-N 2.69Å
160	H	86.9	Confident	84.9	Confident	145 Å²	145	105.1 Å²	105.1	67%	0.671	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	23.5	-170.8	-47.6	85.6	0	0	0	113	L156 R157 L158 F162	L156-H160 PolarHBondContact O-N 3.49Å; R157-H160 PolarHBondContact O-N 3.21Å; L158-H160 PolarHBondContact O-CE1 3.47Å; L158-H160 PolarHBondContact O-N 3.44Å; L158-H160 PolarHBondContact O-ND1 3.15Å; H160-F162 PolarHBondContact O-N 3.21Å
161	E	81.4	Confident	84.1	Confident	65 Å²	65	103.9 Å²	103.9	30%	0.304	49%	0.488	S	S	.	.			trans	-89.9	84.7	174.9	-70.6	170.3	-179.1	0	0	107.4	Y127 L156 R159 L163	Y127-E161 WeakPolarHBondContact CE2-OE1 3.39Å; Y127-E161 WeakPolarHBondContact CE2-OE2 3.4Å; Y127-E161 VanDerWaalsContact OH-CD 3.28Å; Y127-E161 PolarHBondContact OH-OE2 3.31Å; L156-E161 HydrophobicContact CD2-CB 4.09Å; L156-E161 WeakPolarHBondContact CD2-OE2 3.42Å; L156-E161 PolarHBondContact O-N 3.46Å; R159-E161 HydrophobicContact CB-CB 4.3Å; R159-E161 HydrophobicContact CB-CG 3.92Å; R159-E161 PolarHBondContact O-N 2.69Å; E161-L163 PolarHBondContact O-N 3.27Å
162	F	60.4	Low	83.1	Confident	164 Å²	164	111.3 Å²	111.3	72%	0.719	52%	0.523	S	S	*	.			trans	-68	106.4	176.8	-65.3	-77.7	0	0	0	109.3	H160 L164	H160-F162 PolarHBondContact O-N 3.21Å; F162-L164 VanDerWaalsContact C-N 3.29Å; F162-L164 PolarHBondContact O-N 2.86Å; F162-L164 VanDerWaalsContact O-N 3.14Å
163	L	57.4	Low	82.1	Confident	143 Å²	143	115.2 Å²	115.2	75%	0.749	54%	0.539	S	S	*	.			trans	-69.4	96.1	150.4	-66.1	178.1	0	0	0	106.2	L156 E161	L156-L163 HydrophobicContact CD1-CD1 3.44Å; L156-L163 VanDerWaalsContact CD1-CD1 3.44Å; L156-L163 HydrophobicContact CD1-CG 4Å; E161-L163 PolarHBondContact O-N 3.27Å
164	L	43.6	Very low	81	Confident	232 Å²	232	112 Å²	112	100%	1.215	53%	0.529	S	S	*	.			trans	-68.1	0	159.9	-71.8	172.3	0	0	0	109.4	F162	F162-L164 VanDerWaalsContact C-N 3.29Å; F162-L164 PolarHBondContact O-N 2.86Å; F162-L164 VanDerWaalsContact O-N 3.14Å

Retrieved 164 of 164 residues in 358.9 ms (Link to these results)

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