A0A077Z7F0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z7F0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 200 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	52.6	Low	52.4	Low	231 Å²	231	98.2 Å²	98.2	100%	1.138	55%	0.554	S	S	*	*				0	130.4	0	-72.5	-176.2	169.7	0	0	107.6
2	P	62.3	Low	53	Low	129 Å²	129	96.1 Å²	96.1	84%	0.838	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-60.4	137.2	171.3	25.8	-30.6	0	0	0	108.9
3	Q	52.2	Low	53	Low	185 Å²	185	100.2 Å²	100.2	86%	0.864	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-66.5	138.5	172.7	-76.7	-155.6	-22.2	0	0	109.2
4	P	52.8	Low	52.7	Low	81 Å²	81	94.1 Å²	94.1	53%	0.526	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-59.6	141.5	176.5	24.6	-31.9	0	0	0	109.4	E8 A9	P4-E8 HydrophobicContact CB-CB 4.06Å; P4-A9 HydrophobicContact CG-CB 4.46Å
5	S	57.4	Low	53.1	Low	48 Å²	48	94.5 Å²	94.5	34%	0.336	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-58.1	152.4	172.2	65.4	0	0	0	0	109.8	V7 E8 A9	S5-V7 PolarHBondContact O-N 2.86Å; S5-E8 WeakPolarHBondContact CB-OE2 3.41Å; S5-E8 PolarHBondContact N-OE2 3Å; S5-E8 PolarHBondContact O-N 2.85Å; S5-E8 VanDerWaalsContact OG-CD 3.28Å; S5-E8 VanDerWaalsContact OG-CG 3.29Å; S5-E8 WeakPolarHBondContact OG-CG 3.46Å; S5-E8 PolarHBondContact OG-N 2.92Å; S5-E8 PolarHBondContact OG-OE2 2.79Å; S5-A9 PolarHBondContact O-N 3.32Å
6	P	46.9	Very low	53	Low	119 Å²	119	95.6 Å²	95.6	77%	0.773	52%	0.515	S	S	*	.	H	α-helix	trans	-53.2	-28.6	178.3	-28.4	35.1	0	0	0	113.9	A10	P6-A10 WeakPolarHBondContact O-CB 3.29Å; P6-A10 PolarHBondContact O-N 3.45Å; P6-A10 VanDerWaalsContact O-N 3.09Å
7	V	47.1	Very low	52.7	Low	33 Å²	33	93.2 Å²	93.2	20%	0.2	50%	0.502	C	S	.	.	H	α-helix	trans	-72	-47.7	176	177.5	0	0	0	0	111.2	S5 A9 A10 H11 I81	S5-V7 PolarHBondContact O-N 2.86Å; V7-A9 VanDerWaalsContact C-N 3.33Å; V7-A9 PolarHBondContact O-N 3.22Å; V7-A10 PolarHBondContact O-N 3.19Å; V7-H11 PolarHBondContact O-CD2 2.99Å; V7-H11 VanDerWaalsContact O-CD2 3.24Å; V7-H11 PolarHBondContact O-N 2.97Å; V7-I81 HydrophobicContact CG1-CG2 4.03Å
8	E	55.9	Low	52.6	Low	110 Å²	110	94.1 Å²	94.1	51%	0.514	50%	0.497	S	S	.	.	H	α-helix	trans	-63.2	-39.1	176	-71.9	163.6	149.5	0	0	111.9	P4 S5 A10 H11 T12	P4-E8 HydrophobicContact CB-CB 4.06Å; S5-E8 WeakPolarHBondContact CB-OE2 3.41Å; S5-E8 PolarHBondContact N-OE2 3Å; S5-E8 PolarHBondContact O-N 2.85Å; S5-E8 VanDerWaalsContact OG-CD 3.28Å; S5-E8 VanDerWaalsContact OG-CG 3.29Å; S5-E8 WeakPolarHBondContact OG-CG 3.46Å; S5-E8 PolarHBondContact OG-N 2.92Å; S5-E8 PolarHBondContact OG-OE2 2.79Å; E8-A10 VanDerWaalsContact C-N 3.34Å; E8-A10 PolarHBondContact O-N 2.74Å; E8-H11 PolarHBondContact O-N 3.38Å; E8-T12 WeakPolarHBondContact O-CB 3.38Å; E8-T12 PolarHBondContact O-N 3.37Å; E8-T12 PolarHBondContact O-OG1 2.92Å
9	A	49.6	Very low	52.5	Low	45 Å²	45	91.9 Å²	91.9	37%	0.372	49%	0.491	S	S	.	.	H	α-helix	trans	-62.5	-41.6	174.7	0	0	0	0	0	111.7	P4 S5 V7 W13	P4-A9 HydrophobicContact CG-CB 4.46Å; S5-A9 PolarHBondContact O-N 3.32Å; V7-A9 VanDerWaalsContact C-N 3.33Å; V7-A9 PolarHBondContact O-N 3.22Å; A9-W13 WeakPolarHBondContact O-CB 3.37Å; A9-W13 PolarHBondContact O-N 3.46Å
10	A	45.4	Very low	52.1	Low	21 Å²	21	92.2 Å²	92.2	17%	0.174	49%	0.492	C	S	.	.	H	α-helix	trans	-68.1	-42.3	177.4	0	0	0	0	0	112.8	P6 V7 E8 W13 L14 L82	P6-A10 WeakPolarHBondContact O-CB 3.29Å; P6-A10 PolarHBondContact O-N 3.45Å; P6-A10 VanDerWaalsContact O-N 3.09Å; V7-A10 PolarHBondContact O-N 3.19Å; E8-A10 VanDerWaalsContact C-N 3.34Å; E8-A10 PolarHBondContact O-N 2.74Å; A10-W13 PolarHBondContact O-N 2.94Å; A10-L14 WeakPolarHBondContact O-CB 3.37Å; A10-L14 WeakPolarHBondContact O-CG 3.36Å; A10-L14 PolarHBondContact O-N 3.23Å; A10-L82 HydrophobicContact CB-CD1 3.54Å
11	H	54.4	Low	51.8	Low	78 Å²	78	91 Å²	91	36%	0.361	48%	0.483	S	S	.	.	H	α-helix	trans	-62.1	-45.3	173.9	-82.3	-71.3	0	0	0	111.6	V7 E8 W13 L14 D15	V7-H11 PolarHBondContact O-CD2 2.99Å; V7-H11 VanDerWaalsContact O-CD2 3.24Å; V7-H11 PolarHBondContact O-N 2.97Å; E8-H11 PolarHBondContact O-N 3.38Å; H11-W13 VanDerWaalsContact C-N 3.31Å; H11-W13 PolarHBondContact O-N 3.5Å; H11-L14 PolarHBondContact O-N 3.09Å; H11-D15 WeakPolarHBondContact O-CB 3.35Å; H11-D15 PolarHBondContact O-N 3.46Å
12	T	59.5	Low	51.6	Low	73 Å²	73	83.5 Å²	83.5	45%	0.448	44%	0.444	S	S	.	.	H	α-helix	trans	-59.6	-42.9	176.9	-55.2	0	0	0	0	111.4	E8 D15 Q16	E8-T12 WeakPolarHBondContact O-CB 3.38Å; E8-T12 PolarHBondContact O-N 3.37Å; E8-T12 PolarHBondContact O-OG1 2.92Å; T12-D15 PolarHBondContact O-N 3.24Å; T12-Q16 WeakPolarHBondContact O-CB 3.37Å; T12-Q16 VanDerWaalsContact O-CG 3.3Å; T12-Q16 WeakPolarHBondContact O-CG 3.3Å; T12-Q16 PolarHBondContact O-N 2.96Å
13	W	52.3	Low	50.7	Low	150 Å²	150	85.6 Å²	85.6	57%	0.568	44%	0.435	S	S	*	.	H	α-helix	trans	-65.2	-42.5	176.6	178.7	77.8	0	0	0	112.3	A9 A10 H11 Q16 L17	A9-W13 WeakPolarHBondContact O-CB 3.37Å; A9-W13 PolarHBondContact O-N 3.46Å; A10-W13 PolarHBondContact O-N 2.94Å; H11-W13 VanDerWaalsContact C-N 3.31Å; H11-W13 PolarHBondContact O-N 3.5Å; W13-Q16 PolarHBondContact O-N 3.4Å; W13-L17 HydrophobicContact CH2-CD1 3.86Å; W13-L17 HydrophobicContact CZ2-CD1 3.53Å; W13-L17 VanDerWaalsContact O-CB 3.3Å; W13-L17 WeakPolarHBondContact O-CB 3.44Å; W13-L17 PolarHBondContact O-N 3.41Å
14	L	49.7	Very low	50	Low	14 Å²	14	79.9 Å²	79.9	7%	0.073	42%	0.419	C	S	.	.	H	α-helix	trans	-63.7	-41.5	175.5	-75.6	172.2	0	0	0	112.1	A10 H11 L17 R18 A85 F89	A10-L14 WeakPolarHBondContact O-CB 3.37Å; A10-L14 WeakPolarHBondContact O-CG 3.36Å; A10-L14 PolarHBondContact O-N 3.23Å; H11-L14 PolarHBondContact O-N 3.09Å; L14-L17 PolarHBondContact O-N 3.23Å; L14-R18 VanDerWaalsContact O-CB 3.26Å; L14-R18 WeakPolarHBondContact O-CB 3.3Å; L14-R18 PolarHBondContact O-N 3.25Å; L14-A85 HydrophobicContact CD1-CB 3.64Å; L14-F89 HydrophobicContact CD2-CB 3.98Å; L14-F89 HydrophobicContact CD2-CD1 4.22Å; L14-F89 HydrophobicContact CD2-CD2 4.35Å; L14-F89 HydrophobicContact CD2-CG 3.89Å
15	D	57.7	Low	49.2	Very low	100 Å²	100	78.2 Å²	78.2	54%	0.535	41%	0.409	S	S	.	.	H	α-helix	trans	-66.2	-40.1	176.7	-76.2	-26	0	0	0	111.8	H11 T12 L17 R18 S19	H11-D15 WeakPolarHBondContact O-CB 3.35Å; H11-D15 PolarHBondContact O-N 3.46Å; T12-D15 PolarHBondContact O-N 3.24Å; D15-L17 VanDerWaalsContact C-N 3.35Å; D15-R18 PolarHBondContact O-N 3.01Å; D15-S19 VanDerWaalsContact O-CB 3.26Å; D15-S19 WeakPolarHBondContact O-CB 3.49Å; D15-S19 PolarHBondContact O-N 2.93Å
16	Q	52.3	Low	48.1	Very low	112 Å²	112	79.7 Å²	79.7	52%	0.523	41%	0.413	S	S	.	.	H	α-helix	trans	-62.5	-43.4	172.2	-76.5	176.6	1.1	0	0	111.4	T12 W13 S19 N20	T12-Q16 WeakPolarHBondContact O-CB 3.37Å; T12-Q16 VanDerWaalsContact O-CG 3.3Å; T12-Q16 WeakPolarHBondContact O-CG 3.3Å; T12-Q16 PolarHBondContact O-N 2.96Å; W13-Q16 PolarHBondContact O-N 3.4Å; Q16-S19 PolarHBondContact O-N 3.4Å; Q16-N20 VanDerWaalsContact O-CB 3.3Å; Q16-N20 WeakPolarHBondContact O-CB 3.36Å; Q16-N20 PolarHBondContact O-N 3.01Å; Q16-N20 PolarHBondContact O-ND2 2.79Å
17	L	47.1	Very low	47.6	Very low	56 Å²	56	78.9 Å²	78.9	29%	0.293	41%	0.408	S	S	.	.	H	α-helix	trans	-68	-40.3	-179.8	-162.4	138	0	0	0	111.2	W13 L14 D15 N20 F21 F89	W13-L17 HydrophobicContact CH2-CD1 3.86Å; W13-L17 HydrophobicContact CZ2-CD1 3.53Å; W13-L17 VanDerWaalsContact O-CB 3.3Å; W13-L17 WeakPolarHBondContact O-CB 3.44Å; W13-L17 PolarHBondContact O-N 3.41Å; L14-L17 PolarHBondContact O-N 3.23Å; D15-L17 VanDerWaalsContact C-N 3.35Å; L17-N20 PolarHBondContact O-N 3.36Å; L17-F21 WeakPolarHBondContact O-CB 3.47Å; L17-F21 PolarHBondContact O-N 3.1Å; L17-F89 HydrophobicContact CD2-CD2 4.44Å; L17-F89 HydrophobicContact CD2-CE1 3.63Å; L17-F89 HydrophobicContact CD2-CE2 3.41Å; L17-F89 VanDerWaalsContact CD2-CE2 3.41Å; L17-F89 HydrophobicContact CD2-CZ 2.93Å; L17-F89 HydrophobicContact CG-CZ 4.41Å
18	R	51.9	Low	47.1	Very low	108 Å²	108	81.8 Å²	81.8	41%	0.408	42%	0.415	S	S	.	.	H	α-helix	trans	-60.5	-47.3	171.2	-166.9	176.7	-164.9	-160.7	3.2	111.3	L14 D15 F21 F22 D92	L14-R18 VanDerWaalsContact O-CB 3.26Å; L14-R18 WeakPolarHBondContact O-CB 3.3Å; L14-R18 PolarHBondContact O-N 3.25Å; D15-R18 PolarHBondContact O-N 3.01Å; R18-F21 PolarHBondContact O-N 3.15Å; R18-F22 HydrophobicContact CG-CD2 3.64Å; R18-F22 HydrophobicContact CG-CE2 3.42Å; R18-F22 VanDerWaalsContact CG-CE2 3.42Å; R18-F22 WeakPolarHBondContact O-CB 3.46Å; R18-F22 WeakPolarHBondContact O-CD2 3.3Å; R18-F22 PolarHBondContact O-N 3.23Å; R18-D92 IonicContact CZ-OD2 3.8Å; R18-D92 IonicContact NE-OD2 2.79Å; R18-D92 PolarHBondContact NE-OD2 3.24Å; R18-D92 IonicContact NH2-OD2 2.76Å; R18-D92 PolarHBondContact NH2-OD2 3.5Å
19	S	49.8	Very low	46.1	Very low	54 Å²	54	85.9 Å²	85.9	38%	0.378	43%	0.426	S	S	.	.	H	α-helix	trans	-62.8	-45.1	177.7	-170.5	0	0	0	0	112	D15 Q16 R23	D15-S19 VanDerWaalsContact O-CB 3.26Å; D15-S19 WeakPolarHBondContact O-CB 3.49Å; D15-S19 PolarHBondContact O-N 2.93Å; Q16-S19 PolarHBondContact O-N 3.4Å; S19-R23 WeakPolarHBondContact O-CB 3.48Å; S19-R23 PolarHBondContact O-N 2.64Å
20	N	45.7	Very low	45.4	Very low	97 Å²	97	91.3 Å²	91.3	52%	0.519	44%	0.443	S	S	.	.	H	α-helix	trans	-66	-41.5	178.2	-72.6	-22	0	0	0	111.6	Q16 L17 A24	Q16-N20 VanDerWaalsContact O-CB 3.3Å; Q16-N20 WeakPolarHBondContact O-CB 3.36Å; Q16-N20 PolarHBondContact O-N 3.01Å; Q16-N20 PolarHBondContact O-ND2 2.79Å; L17-N20 PolarHBondContact O-N 3.36Å; N20-A24 VanDerWaalsContact O-CB 3.3Å; N20-A24 WeakPolarHBondContact O-CB 3.32Å; N20-A24 PolarHBondContact O-N 3.35Å
21	F	45.5	Very low	44.9	Very low	67 Å²	67	94.5 Å²	94.5	29%	0.294	46%	0.457	S	S	.	.	H	α-helix	trans	-61.6	-54.1	175.7	-176.7	-98.7	0	0	0	111.1	L17 R18 R23 A24 C25 F96	L17-F21 WeakPolarHBondContact O-CB 3.47Å; L17-F21 PolarHBondContact O-N 3.1Å; R18-F21 PolarHBondContact O-N 3.15Å; F21-R23 PolarHBondContact O-N 2.88Å; F21-A24 PolarHBondContact O-N 2.82Å; F21-C25 PolarHBondContact O-N 2.96Å; F21-C25 PolarHBondContact O-SG 3.46Å; F21-F96 HydrophobicContact CE1-CB 3.86Å; F21-F96 AromaticContact CE1-CD1 3.39Å; F21-F96 HydrophobicContact CE1-CD1 3.39Å; F21-F96 AromaticContact CE1-CD2 3.84Å; F21-F96 HydrophobicContact CE1-CD2 3.84Å; F21-F96 AromaticContact CE1-CE1 3.83Å; F21-F96 HydrophobicContact CE1-CE1 3.83Å; F21-F96 HydrophobicContact CE1-CE2 4.27Å; F21-F96 AromaticContact CE1-CG 3.38Å; F21-F96 HydrophobicContact CE1-CG 3.38Å; F21-F96 HydrophobicContact CE1-CZ 4.27Å; F21-F96 HydrophobicContact CE2-CD1 4.37Å; F21-F96 HydrophobicContact CE2-CE1 4.45Å; F21-F96 HydrophobicContact CZ-CB 4.23Å; F21-F96 AromaticContact CZ-CD1 3.17Å; F21-F96 HydrophobicContact CZ-CD1 3.17Å; F21-F96 HydrophobicContact CZ-CD2 4.46Å; F21-F96 AromaticContact CZ-CE1 3.53Å; F21-F96 HydrophobicContact CZ-CE1 3.53Å; F21-F96 AromaticContact CZ-CG 3.7Å; F21-F96 HydrophobicContact CZ-CG 3.7Å; F21-F96 HydrophobicContact CZ-CZ 4.35Å
22	F	48.7	Very low	44.1	Very low	74 Å²	74	95 Å²	95	33%	0.325	47%	0.474	S	S	.	.	H	α-helix	trans	-64.2	-39.6	178	-75.4	-62.4	0	0	0	112.2	R18 A24 C25 L26 F96	R18-F22 HydrophobicContact CG-CD2 3.64Å; R18-F22 HydrophobicContact CG-CE2 3.42Å; R18-F22 VanDerWaalsContact CG-CE2 3.42Å; R18-F22 WeakPolarHBondContact O-CB 3.46Å; R18-F22 WeakPolarHBondContact O-CD2 3.3Å; R18-F22 PolarHBondContact O-N 3.23Å; F22-A24 VanDerWaalsContact C-N 3.31Å; F22-A24 PolarHBondContact O-N 3.39Å; F22-C25 CarbonylContact O-C 3.4Å; F22-C25 WeakPolarHBondContact O-CA 3.36Å; F22-C25 PolarHBondContact O-N 3.27Å; F22-L26 HydrophobicContact CB-CD1 4.07Å; F22-L26 WeakPolarHBondContact O-CA 3.48Å; F22-L26 WeakPolarHBondContact O-CB 3.18Å; F22-L26 WeakPolarHBondContact O-CD1 3.37Å; F22-L26 WeakPolarHBondContact O-CG 3.34Å; F22-L26 PolarHBondContact O-N 2.85Å; F22-F96 HydrophobicContact CE1-CD2 4.24Å
23	R	43.5	Very low	43	Very low	172 Å²	172	99.9 Å²	99.9	65%	0.649	49%	0.493	S	S	*	.	H	α-helix	trans	-63	-37.6	177.4	-170.3	-177.9	-73.2	163.7	-3.9	112	S19 F21 C25	S19-R23 WeakPolarHBondContact O-CB 3.48Å; S19-R23 PolarHBondContact O-N 2.64Å; F21-R23 PolarHBondContact O-N 2.88Å; R23-C25 PolarHBondContact O-N 3.27Å
24	A	36.4	Very low	42.5	Very low	65 Å²	65	103.2 Å²	103.2	54%	0.537	51%	0.505	S	S	.	.	H	α-helix	trans	-66.4	-24.2	173.7	0	0	0	0	0	112.8	N20 F21 F22	N20-A24 VanDerWaalsContact O-CB 3.3Å; N20-A24 WeakPolarHBondContact O-CB 3.32Å; N20-A24 PolarHBondContact O-N 3.35Å; F21-A24 PolarHBondContact O-N 2.82Å; F22-A24 VanDerWaalsContact C-N 3.31Å; F22-A24 PolarHBondContact O-N 3.39Å
25	C	36.7	Very low	41.9	Very low	46 Å²	46	109 Å²	109	31%	0.311	54%	0.536	S	S	.	.	H	α-helix	trans	-103.3	-10.9	-178.7	-58.8	0	0	0	0	114.3	F21 F22 R23 F96	F21-C25 PolarHBondContact O-N 2.96Å; F21-C25 PolarHBondContact O-SG 3.46Å; F22-C25 CarbonylContact O-C 3.4Å; F22-C25 WeakPolarHBondContact O-CA 3.36Å; F22-C25 PolarHBondContact O-N 3.27Å; R23-C25 PolarHBondContact O-N 3.27Å; C25-F96 HydrophobicContact CB-CE2 3.69Å; C25-F96 HydrophobicContact CB-CZ 3.46Å; C25-F96 VanDerWaalsContact CB-CZ 3.46Å; C25-F96 WeakPolarHBondContact SG-CZ 3.3Å
26	L	34.6	Very low	40.7	Very low	79 Å²	79	108.3 Å²	108.3	41%	0.414	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-77.9	-8	-171.5	-94	164.3	0	0	0	118.2	F22 W28 R29	F22-L26 HydrophobicContact CB-CD1 4.07Å; F22-L26 WeakPolarHBondContact O-CA 3.48Å; F22-L26 WeakPolarHBondContact O-CB 3.18Å; F22-L26 WeakPolarHBondContact O-CD1 3.37Å; F22-L26 WeakPolarHBondContact O-CG 3.34Å; F22-L26 PolarHBondContact O-N 2.85Å; L26-W28 PolarHBondContact O-N 2.91Å; L26-R29 HydrophobicContact CD2-CB 3.91Å; L26-R29 PolarHBondContact O-N 3.2Å
27	P	36.3	Very low	39.5	Very low	103 Å²	103	111.8 Å²	111.8	67%	0.669	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-56.3	-14.6	172.8	-25.1	34.6	0	0	0	114.2
28	W	36.5	Very low	38.8	Very low	94 Å²	94	113.4 Å²	113.4	36%	0.356	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-96.1	-16.8	-173.4	-103.7	57	0	0	0	116.7	L26 V107 E121 F125	L26-W28 PolarHBondContact O-N 2.91Å; W28-V107 HydrophobicContact CH2-CG2 3.52Å; W28-V107 HydrophobicContact CZ3-CG2 3.91Å; W28-E121 HydrophobicContact CZ2-CB 4.46Å; W28-E121 WeakPolarHBondContact CZ2-O 3.47Å; W28-F125 AromaticContact CD1-CD2 3.86Å; W28-F125 HydrophobicContact CD2-CB 4.26Å; W28-F125 AromaticContact CD2-CD2 3.31Å; W28-F125 HydrophobicContact CD2-CD2 3.31Å; W28-F125 AromaticContact CD2-CE2 3.86Å; W28-F125 HydrophobicContact CD2-CE2 3.86Å; W28-F125 AromaticContact CD2-CG 3.98Å; W28-F125 HydrophobicContact CD2-CG 3.98Å; W28-F125 AromaticContact CE2-CD2 3.31Å; W28-F125 AromaticContact CE2-CG 3.54Å; W28-F125 AromaticContact CE3-CD2 3.72Å; W28-F125 HydrophobicContact CE3-CD2 3.72Å; W28-F125 AromaticContact CE3-CE2 3.89Å; W28-F125 HydrophobicContact CE3-CE2 3.89Å; W28-F125 HydrophobicContact CE3-CG 4.28Å; W28-F125 AromaticContact CG-CD2 3.78Å; W28-F125 HydrophobicContact CG-CD2 3.78Å; W28-F125 HydrophobicContact CG-CE2 4.3Å; W28-F125 HydrophobicContact CH2-CB 3.88Å; W28-F125 HydrophobicContact CH2-CD1 4.28Å; W28-F125 HydrophobicContact CH2-CD2 4.12Å; W28-F125 AromaticContact CH2-CG 3.84Å; W28-F125 HydrophobicContact CH2-CG 3.84Å; W28-F125 HydrophobicContact CZ2-CB 3.16Å; W28-F125 HydrophobicContact CZ2-CD1 4.37Å; W28-F125 AromaticContact CZ2-CD2 3.8Å; W28-F125 HydrophobicContact CZ2-CD2 3.8Å; W28-F125 AromaticContact CZ2-CG 3.54Å; W28-F125 HydrophobicContact CZ2-CG 3.54Å; W28-F125 HydrophobicContact CZ3-CD2 4.07Å; W28-F125 HydrophobicContact CZ3-CE2 4.32Å; W28-F125 HydrophobicContact CZ3-CG 4.19Å; W28-F125 AromaticContact NE1-CD2 3.57Å; W28-F125 AromaticContact NE1-CG 3.94Å
29	R	34	Very low	37.7	Very low	196 Å²	196	118.1 Å²	118.1	74%	0.74	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-9.7	-170.8	-135.9	-177.5	-165.1	-169	4.1	114.7	L26	L26-R29 HydrophobicContact CD2-CB 3.91Å; L26-R29 PolarHBondContact O-N 3.2Å
30	H	35.8	Very low	36.7	Very low	159 Å²	159	122.1 Å²	122.1	74%	0.736	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-13.5	-172.4	-107.9	-72.2	0	0	0	115.2
31	N	35.4	Very low	35.8	Very low	88 Å²	88	121.9 Å²	121.9	47%	0.471	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.6	-33.2	179.9	-71.5	-8.9	0	0	0	113.7	Q33 R34 E121	N31-Q33 PolarHBondContact O-N 3.47Å; N31-R34 PolarHBondContact O-N 3.45Å; N31-E121 PolarHBondContact ND2-OE1 2.94Å
32	A	37.4	Very low	34.9	Very low	87 Å²	87	128.7 Å²	128.7	72%	0.719	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-1.7	-176.9	0	0	0	0	0	115.9
33	Q	36.7	Very low	33.8	Very low	177 Å²	177	127.7 Å²	127.7	83%	0.827	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	2.4	-177.5	-141	177.1	-10.5	0	0	113.7	N31	N31-Q33 PolarHBondContact O-N 3.47Å
34	R	40.1	Very low	32.9	Very low	219 Å²	219	125 Å²	125	83%	0.826	67%	0.668	S	S	*	*	S	Bend	trans	-87	-27.1	178.8	-87.8	-172	-174.4	-175	3.7	114.7	N31	N31-R34 PolarHBondContact O-N 3.45Å
35	D	37.6	Very low	32.5	Very low	137 Å²	137	125 Å²	125	73%	0.733	66%	0.663	S	S	*	*			trans	-112.2	94.8	-175.1	-64.1	-37	0	0	0	110.4	Q37	D35-Q37 PolarHBondContact O-N 3.29Å
36	G	31.9	Very low	32.2	Very low	84 Å²	84	134.2 Å²	134.2	87%	0.866	69%	0.692	S	S	*	*			trans	-67.7	34.7	-176.1	0	0	0	0	0	116
37	Q	29.1	Very low	32.1	Very low	185 Å²	185	133.1 Å²	133.1	86%	0.864	69%	0.688	S	S	*	*			trans	-149.4	94.8	179.2	-71	-173.1	-5.5	0	0	111.2	D35	D35-Q37 PolarHBondContact O-N 3.29Å
38	S	31.5	Very low	32.1	Very low	90 Å²	90	130 Å²	130	63%	0.629	68%	0.675	S	S	*	*			trans	-141.6	116.5	148	82.3	0	0	0	0	109.9
39	K	28.6	Very low	31.9	Very low	207 Å²	207	134 Å²	134	90%	0.9	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-86.2	117.1	166.5	-75.3	-177.9	176.8	-179.7	0	106.2
40	F	28.8	Very low	31.7	Very low	139 Å²	139	127 Å²	127	61%	0.61	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-74.5	129.9	178.1	-78.4	-82.1	0	0	0	111.4	I106	F40-I106 HydrophobicContact CD1-CD1 4.06Å; F40-I106 HydrophobicContact CD1-CG1 4.16Å; F40-I106 HydrophobicContact CE1-CB 4.4Å; F40-I106 HydrophobicContact CE1-CD1 3.32Å; F40-I106 HydrophobicContact CE1-CG1 3.65Å; F40-I106 HydrophobicContact CE1-CG2 3.84Å; F40-I106 HydrophobicContact CZ-CD1 3.9Å
41	P	27.6	Very low	31.9	Very low	92 Å²	92	121.9 Å²	121.9	60%	0.597	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-79	136.6	161.4	4.8	12.5	0	0	0	109.9	A43	P41-A43 PolarHBondContact O-N 3.47Å
42	E	25.5	Very low	32.1	Very low	210 Å²	210	120.7 Å²	120.7	98%	0.981	67%	0.665	S	S	*	*			trans	-69.7	88.8	169.9	-71.4	178	150.4	0	0	109.8
43	A	25.7	Very low	32.4	Very low	53 Å²	53	124 Å²	124	44%	0.438	66%	0.663	S	S	.	*			trans	-114.9	113.7	171.5	0	0	0	0	0	111.1	P41 C45	P41-A43 PolarHBondContact O-N 3.47Å; A43-C45 PolarHBondContact O-N 2.92Å
44	S	25	Very low	32.6	Very low	115 Å²	115	122.1 Å²	122.1	80%	0.804	65%	0.654	S	S	*	*			trans	-62.7	94.6	-178.7	150	0	0	0	0	112.3
45	C	27.9	Very low	32.7	Very low	65 Å²	65	112.9 Å²	112.9	44%	0.439	62%	0.624	S	S	.	*			trans	-95	114.2	162.8	-163	0	0	0	0	109.6	A43 V47 A105	A43-C45 PolarHBondContact O-N 2.92Å; C45-V47 HydrophobicContact CB-CG2 4.35Å; C45-V47 PolarHBondContact O-N 2.9Å; C45-A105 HydrophobicContact CB-CB 3.56Å
46	R	29.9	Very low	33.2	Very low	240 Å²	240	115 Å²	115	91%	0.906	62%	0.622	S	S	*	*			trans	-72.8	70.7	175	-75.4	-175.2	177.7	-172	0.7	110.4	G48	R46-G48 PolarHBondContact O-N 3.25Å; R46-G48 VanDerWaalsContact O-N 3.13Å
47	V	33.5	Very low	34.1	Very low	55 Å²	55	114.4 Å²	114.4	33%	0.333	60%	0.602	S	S	.	*			trans	-75.4	100.3	169	-176.7	0	0	0	0	108.8	C45 A105	C45-V47 HydrophobicContact CB-CG2 4.35Å; C45-V47 PolarHBondContact O-N 2.9Å; V47-A105 HydrophobicContact CG2-CB 3.98Å
48	G	35.3	Very low	34.9	Very low	39 Å²	39	113.8 Å²	113.8	40%	0.402	59%	0.591	S	S	.	*			trans	60.4	67.2	146.8	0	0	0	0	0	119	R46 G50 S51	R46-G48 PolarHBondContact O-N 3.25Å; R46-G48 VanDerWaalsContact O-N 3.13Å; G48-G50 PolarHBondContact O-N 2.94Å; G48-S51 PolarHBondContact O-N 3.28Å; G48-S51 VanDerWaalsContact O-N 3.1Å
49	Q	31.9	Very low	35.8	Very low	177 Å²	177	110.8 Å²	110.8	83%	0.827	57%	0.568	S	S	*	*	H	α-helix	trans	-54.2	-19	164.4	-72.6	-172.6	-18	0	0	113.8	T52 K53	Q49-T52 PolarHBondContact O-OG1 2.85Å; Q49-K53 PolarHBondContact O-N 2.81Å
50	G	31.7	Very low	37	Very low	50 Å²	50	102.4 Å²	102.4	52%	0.515	54%	0.541	S	S	.	.	H	α-helix	trans	-69.5	-37.5	175.4	0	0	0	0	0	114.4	G48 K53 Q54	G48-G50 PolarHBondContact O-N 2.94Å; G50-K53 PolarHBondContact O-N 2.85Å; G50-Q54 PolarHBondContact O-N 3.32Å; G50-Q54 VanDerWaalsContact O-N 3.12Å
51	S	39	Very low	38	Very low	50 Å²	50	101.2 Å²	101.2	35%	0.35	54%	0.535	S	S	.	.	H	α-helix	trans	-68.4	-43.4	-178	169.4	0	0	0	0	111.4	G48 K53 Q54 A55	G48-S51 PolarHBondContact O-N 3.28Å; G48-S51 VanDerWaalsContact O-N 3.1Å; S51-K53 VanDerWaalsContact C-N 3.34Å; S51-K53 PolarHBondContact O-N 3.48Å; S51-Q54 PolarHBondContact O-N 2.85Å; S51-A55 WeakPolarHBondContact O-CB 3.18Å; S51-A55 PolarHBondContact O-N 3.45Å
52	T	40.1	Very low	39.1	Very low	63 Å²	63	98.6 Å²	98.6	39%	0.387	52%	0.518	S	S	.	.	H	α-helix	trans	-67.1	-32	178	53.8	0	0	0	0	113	Q49 R56	Q49-T52 PolarHBondContact O-OG1 2.85Å; T52-R56 WeakPolarHBondContact O-CB 3.26Å; T52-R56 WeakPolarHBondContact O-CG 3.5Å; T52-R56 PolarHBondContact O-N 3.46Å
53	K	42.7	Very low	40.4	Very low	157 Å²	157	93.3 Å²	93.3	68%	0.683	49%	0.493	S	S	*	.	H	α-helix	trans	-71.8	-42.2	175.5	-168.8	178.1	-179.4	-179.2	0	112.1	Q49 G50 S51 R56 T57	Q49-K53 PolarHBondContact O-N 2.81Å; G50-K53 PolarHBondContact O-N 2.85Å; S51-K53 VanDerWaalsContact C-N 3.34Å; S51-K53 PolarHBondContact O-N 3.48Å; K53-R56 PolarHBondContact O-N 2.8Å; K53-T57 WeakPolarHBondContact O-CB 3.11Å; K53-T57 PolarHBondContact O-N 2.89Å; K53-T57 PolarHBondContact O-OG1 3.31Å
54	Q	41.6	Very low	41.9	Very low	138 Å²	138	94.9 Å²	94.9	65%	0.645	49%	0.491	S	S	*	.	H	α-helix	trans	-65.6	-43.6	174.2	-81.5	-176	-5.5	0	0	111.5	G50 S51 R56 T57 W58	G50-Q54 PolarHBondContact O-N 3.32Å; G50-Q54 VanDerWaalsContact O-N 3.12Å; S51-Q54 PolarHBondContact O-N 2.85Å; Q54-R56 PolarHBondContact O-N 2.82Å; Q54-T57 WeakPolarHBondContact O-CB 3.26Å; Q54-T57 PolarHBondContact O-N 3.43Å; Q54-T57 VanDerWaalsContact O-N 3.12Å; Q54-W58 PolarHBondContact O-N 3.48Å
55	A	42.6	Very low	43.1	Very low	24 Å²	24	94.8 Å²	94.8	20%	0.198	48%	0.481	C	S	.	.	H	α-helix	trans	-58.3	-46.8	175	0	0	0	0	0	111.5	S51 T57 W58 L59 L94	S51-A55 WeakPolarHBondContact O-CB 3.18Å; S51-A55 PolarHBondContact O-N 3.45Å; A55-T57 VanDerWaalsContact C-N 3.31Å; A55-T57 PolarHBondContact O-N 2.86Å; A55-W58 PolarHBondContact O-N 2.67Å; A55-L59 WeakPolarHBondContact O-CD1 3.21Å; A55-L59 VanDerWaalsContact O-CG 3.23Å; A55-L59 WeakPolarHBondContact O-CG 3.32Å; A55-L59 PolarHBondContact O-N 2.86Å; A55-L94 HydrophobicContact CB-CD2 3.93Å
56	R	48.3	Very low	44.1	Very low	181 Å²	181	93.3 Å²	93.3	68%	0.683	47%	0.469	S	S	*	.	H	α-helix	trans	-60.9	-37	173.9	-77.7	-174	-124.8	176.5	-1	113.5	T52 K53 Q54 L59 G60	T52-R56 WeakPolarHBondContact O-CB 3.26Å; T52-R56 WeakPolarHBondContact O-CG 3.5Å; T52-R56 PolarHBondContact O-N 3.46Å; K53-R56 PolarHBondContact O-N 2.8Å; Q54-R56 PolarHBondContact O-N 2.82Å; R56-L59 PolarHBondContact O-N 2.96Å; R56-G60 PolarHBondContact O-N 3.28Å
57	T	49.1	Very low	45.3	Very low	72 Å²	72	86.7 Å²	86.7	44%	0.442	45%	0.451	S	S	.	.	H	α-helix	trans	-69.5	-40.6	177.3	-58.2	0	0	0	0	111.3	K53 Q54 A55 G60 K61	K53-T57 WeakPolarHBondContact O-CB 3.11Å; K53-T57 PolarHBondContact O-N 2.89Å; K53-T57 PolarHBondContact O-OG1 3.31Å; Q54-T57 WeakPolarHBondContact O-CB 3.26Å; Q54-T57 PolarHBondContact O-N 3.43Å; Q54-T57 VanDerWaalsContact O-N 3.12Å; A55-T57 VanDerWaalsContact C-N 3.31Å; A55-T57 PolarHBondContact O-N 2.86Å; T57-G60 PolarHBondContact O-N 3.46Å; T57-K61 WeakPolarHBondContact O-CG 3.26Å; T57-K61 PolarHBondContact O-N 3.46Å
58	W	46.8	Very low	46.2	Very low	172 Å²	172	92.1 Å²	92.1	65%	0.652	47%	0.465	S	S	*	.	H	α-helix	trans	-63.6	-41.9	174	-89.4	100.9	0	0	0	111.8	Q54 A55 K61 V62	Q54-W58 PolarHBondContact O-N 3.48Å; A55-W58 PolarHBondContact O-N 2.67Å; W58-K61 PolarHBondContact O-N 2.8Å; W58-V62 WeakPolarHBondContact O-CG2 3.15Å; W58-V62 PolarHBondContact O-N 3.38Å
59	L	50.2	Low	46.8	Very low	27 Å²	27	98.4 Å²	98.4	14%	0.141	48%	0.482	C	S	.	.	H	α-helix	trans	-60.2	-48.5	173.6	-71.3	163.8	0	0	0	112.1	A55 R56 K61 V62 E63 L90 L94	A55-L59 WeakPolarHBondContact O-CD1 3.21Å; A55-L59 VanDerWaalsContact O-CG 3.23Å; A55-L59 WeakPolarHBondContact O-CG 3.32Å; A55-L59 PolarHBondContact O-N 2.86Å; R56-L59 PolarHBondContact O-N 2.96Å; L59-K61 VanDerWaalsContact C-N 3.26Å; L59-K61 PolarHBondContact O-N 3.49Å; L59-V62 PolarHBondContact O-N 3.48Å; L59-V62 VanDerWaalsContact O-N 3.11Å; L59-E63 WeakPolarHBondContact O-CB 3.11Å; L59-E63 WeakPolarHBondContact O-CG 3.5Å; L59-E63 PolarHBondContact O-N 2.9Å; L59-L90 HydrophobicContact CD2-CB 3.44Å; L59-L90 VanDerWaalsContact CD2-CB 3.44Å; L59-L90 HydrophobicContact CD2-CD1 3.58Å; L59-L90 HydrophobicContact CD2-CD2 3.67Å; L59-L90 HydrophobicContact CD2-CG 3.72Å; L59-L94 HydrophobicContact CD1-CD1 3.2Å; L59-L94 HydrophobicContact CD1-CD2 3.61Å; L59-L94 HydrophobicContact CD1-CG 3.52Å; L59-L94 HydrophobicContact CD2-CD1 4.49Å; L59-L94 HydrophobicContact CG-CD1 4.46Å
60	G	53.7	Low	47.5	Very low	32 Å²	32	93.1 Å²	93.1	33%	0.33	46%	0.459	S	S	.	.	H	α-helix	trans	-58.4	-39.1	176	0	0	0	0	0	112.3	R56 T57 E64	R56-G60 PolarHBondContact O-N 3.28Å; T57-G60 PolarHBondContact O-N 3.46Å; G60-E64 VanDerWaalsContact O-CB 3.26Å; G60-E64 WeakPolarHBondContact O-CB 3.47Å; G60-E64 PolarHBondContact O-N 3.28Å
61	K	50.6	Low	48.2	Very low	113 Å²	113	95.3 Å²	95.3	49%	0.491	47%	0.466	S	S	.	.	H	α-helix	trans	-67.9	-39.2	174.9	-74.6	178.6	178.8	-177.6	0	112.8	T57 W58 L59 E64 L65	T57-K61 WeakPolarHBondContact O-CG 3.26Å; T57-K61 PolarHBondContact O-N 3.46Å; W58-K61 PolarHBondContact O-N 2.8Å; L59-K61 VanDerWaalsContact C-N 3.26Å; L59-K61 PolarHBondContact O-N 3.49Å; K61-E64 PolarHBondContact O-N 2.91Å; K61-L65 WeakPolarHBondContact O-CB 3.28Å; K61-L65 WeakPolarHBondContact O-CG 3.35Å; K61-L65 PolarHBondContact O-N 2.81Å
62	V	49.5	Very low	48.5	Very low	38 Å²	38	101.6 Å²	101.6	23%	0.23	48%	0.484	C	S	.	.	H	α-helix	trans	-69.3	-42.7	176.8	174.8	0	0	0	0	110.4	W58 L59 E64 L65 L66 V86 L90	W58-V62 WeakPolarHBondContact O-CG2 3.15Å; W58-V62 PolarHBondContact O-N 3.38Å; L59-V62 PolarHBondContact O-N 3.48Å; L59-V62 VanDerWaalsContact O-N 3.11Å; V62-E64 VanDerWaalsContact C-N 3.34Å; V62-E64 PolarHBondContact O-N 3.44Å; V62-L65 PolarHBondContact O-N 2.94Å; V62-L66 HydrophobicContact CG1-CD1 3.86Å; V62-L66 HydrophobicContact CG1-CG 4.27Å; V62-L66 WeakPolarHBondContact O-CB 3.3Å; V62-L66 WeakPolarHBondContact O-CG 3.39Å; V62-L66 PolarHBondContact O-N 3.27Å; V62-V86 HydrophobicContact CG1-CG1 4.02Å; V62-L90 HydrophobicContact CB-CD1 3.99Å; V62-L90 HydrophobicContact CG1-CD1 3.58Å
63	E	54.1	Low	48.8	Very low	98 Å²	98	106.2 Å²	106.2	46%	0.458	51%	0.506	S	S	.	.	H	α-helix	trans	-58.4	-45.3	171.7	-74.4	-178.4	159.3	0	0	111.4	L59 L66 L67	L59-E63 WeakPolarHBondContact O-CB 3.11Å; L59-E63 WeakPolarHBondContact O-CG 3.5Å; L59-E63 PolarHBondContact O-N 2.9Å; E63-L66 PolarHBondContact O-N 3.11Å; E63-L67 WeakPolarHBondContact O-CB 3.2Å; E63-L67 WeakPolarHBondContact O-CD1 3.39Å; E63-L67 WeakPolarHBondContact O-CG 3.43Å; E63-L67 PolarHBondContact O-N 2.88Å
64	E	55.6	Low	49.1	Very low	86 Å²	86	107 Å²	107	40%	0.402	51%	0.512	S	S	.	.	H	α-helix	trans	-63.3	-42.3	176.4	-171.7	-178.4	-177.6	0	0	111.9	G60 K61 V62 L67 R68	G60-E64 VanDerWaalsContact O-CB 3.26Å; G60-E64 WeakPolarHBondContact O-CB 3.47Å; G60-E64 PolarHBondContact O-N 3.28Å; K61-E64 PolarHBondContact O-N 2.91Å; V62-E64 VanDerWaalsContact C-N 3.34Å; V62-E64 PolarHBondContact O-N 3.44Å; E64-L67 PolarHBondContact O-N 3.32Å; E64-R68 HydrophobicContact CG-CG 4.4Å; E64-R68 WeakPolarHBondContact O-CB 3.34Å; E64-R68 WeakPolarHBondContact O-CG 3.42Å; E64-R68 PolarHBondContact O-N 3.48Å; E64-R68 IonicContact OE1-CZ 3.17Å; E64-R68 IonicContact OE1-NE 3.1Å; E64-R68 PolarHBondContact OE1-NE 2.84Å; E64-R68 VanDerWaalsContact OE1-NE 3.1Å; E64-R68 IonicContact OE1-NH2 2.67Å; E64-R68 PolarHBondContact OE1-NH2 2.98Å
65	L	50.3	Low	49.4	Very low	114 Å²	114	105.8 Å²	105.8	60%	0.597	51%	0.51	S	S	*	.	H	α-helix	trans	-65	-39.8	176.1	-76.6	169.5	0	0	0	111.8	K61 V62 K69	K61-L65 WeakPolarHBondContact O-CB 3.28Å; K61-L65 WeakPolarHBondContact O-CG 3.35Å; K61-L65 PolarHBondContact O-N 2.81Å; V62-L65 PolarHBondContact O-N 2.94Å; L65-K69 WeakPolarHBondContact O-CB 3.46Å; L65-K69 PolarHBondContact O-N 3.42Å
66	L	49.5	Very low	50	Low	33 Å²	33	109.6 Å²	109.6	17%	0.173	54%	0.535	C	S	.	.	H	α-helix	trans	-68.9	-35.3	175.1	-69.9	168.9	0	0	0	111.8	V62 E63 N70 V86	V62-L66 HydrophobicContact CG1-CD1 3.86Å; V62-L66 HydrophobicContact CG1-CG 4.27Å; V62-L66 WeakPolarHBondContact O-CB 3.3Å; V62-L66 WeakPolarHBondContact O-CG 3.39Å; V62-L66 PolarHBondContact O-N 3.27Å; E63-L66 PolarHBondContact O-N 3.11Å; L66-N70 WeakPolarHBondContact O-CB 3.45Å; L66-N70 VanDerWaalsContact O-CG 3.29Å; L66-N70 PolarHBondContact O-N 3.37Å; L66-N70 VanDerWaalsContact O-N 3.15Å; L66-N70 PolarHBondContact O-ND2 3.41Å; L66-V86 HydrophobicContact CD1-CB 3.97Å; L66-V86 HydrophobicContact CD1-CG1 3.65Å; L66-V86 HydrophobicContact CD2-CG2 4.48Å
67	L	55.4	Low	50.4	Low	101 Å²	101	103 Å²	103	53%	0.529	52%	0.522	S	S	.	.	H	α-helix	trans	-70.8	-44.9	174.8	-73.9	166.5	0	0	0	111.3	E63 E64 N70	E63-L67 WeakPolarHBondContact O-CB 3.2Å; E63-L67 WeakPolarHBondContact O-CD1 3.39Å; E63-L67 WeakPolarHBondContact O-CG 3.43Å; E63-L67 PolarHBondContact O-N 2.88Å; E64-L67 PolarHBondContact O-N 3.32Å; L67-N70 PolarHBondContact O-N 2.74Å
68	R	52.8	Low	50.8	Low	170 Å²	170	101.9 Å²	101.9	64%	0.642	52%	0.518	S	S	*	.	H	α-helix	trans	-66.7	-36.6	177.2	-74.4	-174.3	-174.3	-159.5	2.9	112.5	E64 N70 S71	E64-R68 HydrophobicContact CG-CG 4.4Å; E64-R68 WeakPolarHBondContact O-CB 3.34Å; E64-R68 WeakPolarHBondContact O-CG 3.42Å; E64-R68 PolarHBondContact O-N 3.48Å; E64-R68 IonicContact OE1-CZ 3.17Å; E64-R68 IonicContact OE1-NE 3.1Å; E64-R68 PolarHBondContact OE1-NE 2.84Å; E64-R68 VanDerWaalsContact OE1-NE 3.1Å; E64-R68 IonicContact OE1-NH2 2.67Å; E64-R68 PolarHBondContact OE1-NH2 2.98Å; R68-N70 VanDerWaalsContact C-N 3.33Å; R68-S71 WeakPolarHBondContact O-CB 3.29Å; R68-S71 PolarHBondContact O-N 2.9Å; R68-S71 PolarHBondContact O-OG 3.25Å
69	K	47.9	Very low	51.2	Low	171 Å²	171	94.2 Å²	94.2	74%	0.743	49%	0.493	S	S	*	.	H	α-helix	trans	-74.6	-20.6	174	-99	-176.4	170.2	179.1	0	113.7	L65 S71 Y72	L65-K69 WeakPolarHBondContact O-CB 3.46Å; L65-K69 PolarHBondContact O-N 3.42Å; K69-S71 PolarHBondContact O-N 2.94Å; K69-Y72 PolarHBondContact O-N 3.48Å
70	N	46.8	Very low	51.8	Low	65 Å²	65	102.5 Å²	102.5	35%	0.348	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	9	170.8	-84.1	-42.2	0	0	0	113.7	L66 L67 R68 Y72	L66-N70 WeakPolarHBondContact O-CB 3.45Å; L66-N70 VanDerWaalsContact O-CG 3.29Å; L66-N70 PolarHBondContact O-N 3.37Å; L66-N70 VanDerWaalsContact O-N 3.15Å; L66-N70 PolarHBondContact O-ND2 3.41Å; L67-N70 PolarHBondContact O-N 2.74Å; R68-N70 VanDerWaalsContact C-N 3.33Å; N70-Y72 PolarHBondContact O-N 3.26Å
71	S	46.6	Very low	52.2	Low	96 Å²	96	105.1 Å²	105.1	67%	0.671	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	1.4	161.8	-40.3	0	0	0	0	113.2	R68 K69	R68-S71 WeakPolarHBondContact O-CB 3.29Å; R68-S71 PolarHBondContact O-N 2.9Å; R68-S71 PolarHBondContact O-OG 3.25Å; K69-S71 PolarHBondContact O-N 2.94Å
72	Y	44	Very low	52.6	Low	182 Å²	182	103.2 Å²	103.2	71%	0.714	52%	0.522	S	S	*	.			trans	-92.1	83.9	164.8	-85.5	-87.4	0	0	0	109.8	K69 N70 Q74	K69-Y72 PolarHBondContact O-N 3.48Å; N70-Y72 PolarHBondContact O-N 3.26Å; Y72-Q74 PolarHBondContact O-N 2.94Å
73	D	47.5	Very low	53.3	Low	160 Å²	160	105 Å²	105	86%	0.856	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	25.9	172.9	-94.4	-34.1	0	0	0	114.6
74	Q	47.5	Very low	53.9	Low	175 Å²	175	102.3 Å²	102.3	82%	0.818	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	3.8	-177.7	-72.3	-173	-2.4	0	0	115.1	Y72	Y72-Q74 PolarHBondContact O-N 2.94Å
75	L	48.5	Very low	54.3	Low	112 Å²	112	99.1 Å²	99.1	59%	0.586	51%	0.514	S	S	*	.			trans	-130.5	56.3	176.8	-73	165	0	0	0	111.5	G77 S78 G79	L75-G77 PolarHBondContact O-N 3.42Å; L75-S78 PolarHBondContact O-N 3.21Å; L75-G79 PolarHBondContact O-N 2.98Å
76	S	56.1	Low	54.9	Low	104 Å²	104	94.8 Å²	94.8	73%	0.727	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.5	-167.9	71.1	0	0	0	0	115.6
77	G	56.4	Low	55.8	Low	41 Å²	41	94.7 Å²	94.7	42%	0.423	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-53.4	171	0	0	0	0	0	114	L75 G79 R80 I81	L75-G77 PolarHBondContact O-N 3.42Å; G77-G79 PolarHBondContact O-N 3.3Å; G77-R80 PolarHBondContact O-N 3.01Å; G77-I81 WeakPolarHBondContact O-CG1 3.4Å; G77-I81 PolarHBondContact O-N 2.71Å
78	S	56.9	Low	56.4	Low	49 Å²	49	92.8 Å²	92.8	34%	0.343	49%	0.489	S	S	.	.	H	α-helix	trans	-66.6	-33.4	-174.3	-52.6	0	0	0	0	113.5	L75 R80 I81 L82	L75-S78 PolarHBondContact O-N 3.21Å; S78-R80 VanDerWaalsContact C-N 3.34Å; S78-I81 PolarHBondContact O-N 3.21Å; S78-L82 WeakPolarHBondContact O-CB 3.07Å; S78-L82 PolarHBondContact O-N 3.19Å
79	G	55.5	Low	57	Low	12 Å²	12	86.4 Å²	86.4	12%	0.124	47%	0.466	C	S	.	.	H	α-helix	trans	-66.4	-35.8	176.4	0	0	0	0	0	112.7	L75 G77 K83	L75-G79 PolarHBondContact O-N 2.98Å; G77-G79 PolarHBondContact O-N 3.3Å; G79-K83 VanDerWaalsContact O-CB 3.3Å; G79-K83 WeakPolarHBondContact O-CB 3.38Å; G79-K83 PolarHBondContact O-N 3.38Å
80	R	62.2	Low	57.9	Low	200 Å²	200	79.7 Å²	79.7	76%	0.755	44%	0.438	S	S	*	.	H	α-helix	trans	-68.4	-41.9	175.2	-66.4	-175.2	-176.9	-170.1	2	111.6	G77 S78 K83 G84	G77-R80 PolarHBondContact O-N 3.01Å; S78-R80 VanDerWaalsContact C-N 3.34Å; R80-K83 PolarHBondContact O-N 3.47Å; R80-G84 PolarHBondContact O-N 2.91Å
81	I	62.8	Low	58.9	Low	88 Å²	88	81.4 Å²	81.4	45%	0.451	44%	0.444	S	S	.	.	H	α-helix	trans	-62.4	-48.5	176.6	-64	169.3	0	0	0	110.2	V7 G77 S78 K83 G84 A85	V7-I81 HydrophobicContact CG1-CG2 4.03Å; G77-I81 WeakPolarHBondContact O-CG1 3.4Å; G77-I81 PolarHBondContact O-N 2.71Å; S78-I81 PolarHBondContact O-N 3.21Å; I81-K83 PolarHBondContact O-N 3.13Å; I81-G84 PolarHBondContact O-N 3.37Å; I81-A85 WeakPolarHBondContact O-CB 3.49Å; I81-A85 PolarHBondContact O-N 3.47Å
82	L	59.1	Low	59.8	Low	73 Å²	73	78.3 Å²	78.3	38%	0.382	42%	0.42	S	S	.	.	H	α-helix	trans	-62.3	-43.7	178.4	-177.2	62.1	0	0	0	111.9	A10 S78 G84 A85 V86	A10-L82 HydrophobicContact CB-CD1 3.54Å; S78-L82 WeakPolarHBondContact O-CB 3.07Å; S78-L82 PolarHBondContact O-N 3.19Å; L82-G84 VanDerWaalsContact C-N 3.35Å; L82-G84 PolarHBondContact O-N 3.36Å; L82-A85 PolarHBondContact O-N 3.02Å; L82-V86 HydrophobicContact CD1-CG2 4.24Å; L82-V86 HydrophobicContact CG-CG2 4.48Å; L82-V86 WeakPolarHBondContact O-CG2 3.13Å; L82-V86 PolarHBondContact O-N 3.22Å
83	K	63.4	Low	60.7	Low	75 Å²	75	71.3 Å²	71.3	33%	0.326	40%	0.397	S	S	.	.	H	α-helix	trans	-58.6	-47.3	175.3	-175	-179.9	178.4	-177.9	0	111	G79 R80 I81 A85 V86 C87	G79-K83 VanDerWaalsContact O-CB 3.3Å; G79-K83 WeakPolarHBondContact O-CB 3.38Å; G79-K83 PolarHBondContact O-N 3.38Å; R80-K83 PolarHBondContact O-N 3.47Å; I81-K83 PolarHBondContact O-N 3.13Å; K83-A85 PolarHBondContact O-N 2.87Å; K83-V86 PolarHBondContact O-N 2.76Å; K83-C87 WeakPolarHBondContact O-CB 3.23Å; K83-C87 PolarHBondContact O-N 2.79Å; K83-C87 PolarHBondContact O-SG 2.71Å
84	G	67.5	Low	61.5	Low	42 Å²	42	66.9 Å²	66.9	43%	0.433	37%	0.373	S	S	.	.	H	α-helix	trans	-59.6	-43.9	176.5	0	0	0	0	0	112.8	R80 I81 L82 C87 S88	R80-G84 PolarHBondContact O-N 2.91Å; I81-G84 PolarHBondContact O-N 3.37Å; L82-G84 VanDerWaalsContact C-N 3.35Å; L82-G84 PolarHBondContact O-N 3.36Å; G84-C87 PolarHBondContact O-N 3.32Å; G84-S88 WeakPolarHBondContact O-CB 3.45Å; G84-S88 PolarHBondContact O-N 3.5Å
85	A	63	Low	62.3	Low	18 Å²	18	66.5 Å²	66.5	15%	0.149	36%	0.364	C	S	.	.	H	α-helix	trans	-64.6	-42.6	178.4	0	0	0	0	0	112.4	L14 I81 L82 K83 S88 F89	L14-A85 HydrophobicContact CD1-CB 3.64Å; I81-A85 WeakPolarHBondContact O-CB 3.49Å; I81-A85 PolarHBondContact O-N 3.47Å; L82-A85 PolarHBondContact O-N 3.02Å; K83-A85 PolarHBondContact O-N 2.87Å; A85-S88 PolarHBondContact O-N 3.13Å; A85-F89 WeakPolarHBondContact O-CB 3.4Å; A85-F89 PolarHBondContact O-N 2.92Å
86	V	62.6	Low	63.3	Low	23 Å²	23	63.6 Å²	63.6	14%	0.139	35%	0.347	C	S	.	.	H	α-helix	trans	-68.2	-43.2	176.7	179.2	0	0	0	0	111.3	V62 L66 L82 K83 S88 F89 L90	V62-V86 HydrophobicContact CG1-CG1 4.02Å; L66-V86 HydrophobicContact CD1-CB 3.97Å; L66-V86 HydrophobicContact CD1-CG1 3.65Å; L66-V86 HydrophobicContact CD2-CG2 4.48Å; L82-V86 HydrophobicContact CD1-CG2 4.24Å; L82-V86 HydrophobicContact CG-CG2 4.48Å; L82-V86 WeakPolarHBondContact O-CG2 3.13Å; L82-V86 PolarHBondContact O-N 3.22Å; K83-V86 PolarHBondContact O-N 2.76Å; V86-S88 VanDerWaalsContact C-N 3.34Å; V86-S88 PolarHBondContact O-N 2.98Å; V86-F89 PolarHBondContact O-N 2.94Å; V86-L90 HydrophobicContact CG1-CD1 4.12Å; V86-L90 HydrophobicContact CG1-CG 4.33Å; V86-L90 WeakPolarHBondContact O-CB 3.3Å; V86-L90 VanDerWaalsContact O-CG 3.28Å; V86-L90 WeakPolarHBondContact O-CG 3.4Å; V86-L90 PolarHBondContact O-N 3.27Å
87	C	69.3	Low	63.6	Low	32 Å²	32	60.2 Å²	60.2	22%	0.216	32%	0.323	C	S	.	.	H	α-helix	trans	-58.8	-44.9	174.4	-72.5	0	0	0	0	111.5	K83 G84 F89 L90 E91	K83-C87 WeakPolarHBondContact O-CB 3.23Å; K83-C87 PolarHBondContact O-N 2.79Å; K83-C87 PolarHBondContact O-SG 2.71Å; G84-C87 PolarHBondContact O-N 3.32Å; C87-F89 PolarHBondContact O-N 3.38Å; C87-L90 WeakPolarHBondContact O-CB 3.41Å; C87-L90 PolarHBondContact O-N 3.46Å; C87-E91 WeakPolarHBondContact O-CG 3.3Å; C87-E91 PolarHBondContact O-N 2.93Å
88	S	68.7	Low	63.8	Low	61 Å²	61	60.5 Å²	60.5	43%	0.427	32%	0.322	S	S	.	.	H	α-helix	trans	-63	-41.8	176.6	178.3	0	0	0	0	112.5	G84 A85 V86 L90 E91 D92	G84-S88 WeakPolarHBondContact O-CB 3.45Å; G84-S88 PolarHBondContact O-N 3.5Å; A85-S88 PolarHBondContact O-N 3.13Å; V86-S88 VanDerWaalsContact C-N 3.34Å; V86-S88 PolarHBondContact O-N 2.98Å; S88-L90 VanDerWaalsContact C-N 3.32Å; S88-L90 PolarHBondContact O-N 3.29Å; S88-E91 PolarHBondContact O-N 2.89Å; S88-D92 PolarHBondContact O-N 3.17Å
89	F	65.5	Low	64.3	Low	36 Å²	36	59.5 Å²	59.5	16%	0.158	32%	0.319	C	S	.	.	H	α-helix	trans	-62.6	-40.2	175.7	172.7	-100.8	0	0	0	112.2	L14 L17 A85 V86 C87 D92 C93	L14-F89 HydrophobicContact CD2-CB 3.98Å; L14-F89 HydrophobicContact CD2-CD1 4.22Å; L14-F89 HydrophobicContact CD2-CD2 4.35Å; L14-F89 HydrophobicContact CD2-CG 3.89Å; L17-F89 HydrophobicContact CD2-CD2 4.44Å; L17-F89 HydrophobicContact CD2-CE1 3.63Å; L17-F89 HydrophobicContact CD2-CE2 3.41Å; L17-F89 VanDerWaalsContact CD2-CE2 3.41Å; L17-F89 HydrophobicContact CD2-CZ 2.93Å; L17-F89 HydrophobicContact CG-CZ 4.41Å; A85-F89 WeakPolarHBondContact O-CB 3.4Å; A85-F89 PolarHBondContact O-N 2.92Å; V86-F89 PolarHBondContact O-N 2.94Å; C87-F89 PolarHBondContact O-N 3.38Å; F89-D92 WeakPolarHBondContact O-CB 3.41Å; F89-D92 PolarHBondContact O-N 3.16Å; F89-C93 WeakPolarHBondContact CE1-SG 3.47Å; F89-C93 WeakPolarHBondContact CZ-SG 3.2Å; F89-C93 PolarHBondContact O-N 3.38Å; F89-C93 PolarHBondContact O-SG 3.4Å
90	L	66.1	Low	64.8	Low	29 Å²	29	59.9 Å²	59.9	15%	0.152	32%	0.318	C	S	.	.	H	α-helix	trans	-66.7	-40.8	176.9	-79.9	179.3	0	0	0	112.8	L59 V62 V86 C87 S88 D92 C93 L94	L59-L90 HydrophobicContact CD2-CB 3.44Å; L59-L90 VanDerWaalsContact CD2-CB 3.44Å; L59-L90 HydrophobicContact CD2-CD1 3.58Å; L59-L90 HydrophobicContact CD2-CD2 3.67Å; L59-L90 HydrophobicContact CD2-CG 3.72Å; V62-L90 HydrophobicContact CB-CD1 3.99Å; V62-L90 HydrophobicContact CG1-CD1 3.58Å; V86-L90 HydrophobicContact CG1-CD1 4.12Å; V86-L90 HydrophobicContact CG1-CG 4.33Å; V86-L90 WeakPolarHBondContact O-CB 3.3Å; V86-L90 VanDerWaalsContact O-CG 3.28Å; V86-L90 WeakPolarHBondContact O-CG 3.4Å; V86-L90 PolarHBondContact O-N 3.27Å; C87-L90 WeakPolarHBondContact O-CB 3.41Å; C87-L90 PolarHBondContact O-N 3.46Å; S88-L90 VanDerWaalsContact C-N 3.32Å; S88-L90 PolarHBondContact O-N 3.29Å; L90-D92 VanDerWaalsContact C-N 3.33Å; L90-C93 WeakPolarHBondContact O-CB 3.44Å; L90-C93 PolarHBondContact O-N 3.26Å; L90-L94 PolarHBondContact O-N 3.26Å
91	E	68	Low	64.9	Low	102 Å²	102	51.7 Å²	51.7	48%	0.477	29%	0.291	S	S	.	.	H	α-helix	trans	-61.1	-41.6	172	-75	178.3	-172	0	0	111.9	C87 S88 L94 R95	C87-E91 WeakPolarHBondContact O-CG 3.3Å; C87-E91 PolarHBondContact O-N 2.93Å; S88-E91 PolarHBondContact O-N 2.89Å; E91-L94 WeakPolarHBondContact O-CB 3.4Å; E91-L94 PolarHBondContact O-N 3.38Å; E91-R95 WeakPolarHBondContact O-CG 3.39Å; E91-R95 PolarHBondContact O-N 3.48Å
92	D	65.2	Low	65	Low	30 Å²	30	53.5 Å²	53.5	16%	0.16	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-42.9	174.4	-85.5	2.1	0	0	0	111.7	R18 S88 F89 L90 L94 R95 F96	R18-D92 IonicContact CZ-OD2 3.8Å; R18-D92 IonicContact NE-OD2 2.79Å; R18-D92 PolarHBondContact NE-OD2 3.24Å; R18-D92 IonicContact NH2-OD2 2.76Å; R18-D92 PolarHBondContact NH2-OD2 3.5Å; S88-D92 PolarHBondContact O-N 3.17Å; F89-D92 WeakPolarHBondContact O-CB 3.41Å; F89-D92 PolarHBondContact O-N 3.16Å; L90-D92 VanDerWaalsContact C-N 3.33Å; D92-L94 VanDerWaalsContact C-N 3.34Å; D92-L94 PolarHBondContact O-N 2.9Å; D92-R95 PolarHBondContact O-N 2.87Å; D92-F96 WeakPolarHBondContact O-CB 3.48Å; D92-F96 PolarHBondContact O-N 3.25Å
93	C	63.8	Low	65.6	Low	35 Å²	35	52 Å²	52	24%	0.236	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-41.4	175.4	-69.3	0	0	0	0	112.1	F89 L90 F96 S97	F89-C93 WeakPolarHBondContact CE1-SG 3.47Å; F89-C93 WeakPolarHBondContact CZ-SG 3.2Å; F89-C93 PolarHBondContact O-N 3.38Å; F89-C93 PolarHBondContact O-SG 3.4Å; L90-C93 WeakPolarHBondContact O-CB 3.44Å; L90-C93 PolarHBondContact O-N 3.26Å; C93-F96 PolarHBondContact O-N 3.47Å; C93-S97 WeakPolarHBondContact O-CB 3.33Å; C93-S97 PolarHBondContact O-N 2.91Å
94	L	62.9	Low	65.7	Low	67 Å²	67	48.8 Å²	48.8	35%	0.351	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-47.6	175.7	-83.3	178.3	0	0	0	112.4	A55 L59 L90 E91 D92 F96 S97 A98	A55-L94 HydrophobicContact CB-CD2 3.93Å; L59-L94 HydrophobicContact CD1-CD1 3.2Å; L59-L94 HydrophobicContact CD1-CD2 3.61Å; L59-L94 HydrophobicContact CD1-CG 3.52Å; L59-L94 HydrophobicContact CD2-CD1 4.49Å; L59-L94 HydrophobicContact CG-CD1 4.46Å; L90-L94 PolarHBondContact O-N 3.26Å; E91-L94 WeakPolarHBondContact O-CB 3.4Å; E91-L94 PolarHBondContact O-N 3.38Å; D92-L94 VanDerWaalsContact C-N 3.34Å; D92-L94 PolarHBondContact O-N 2.9Å; L94-F96 VanDerWaalsContact C-N 3.29Å; L94-F96 PolarHBondContact O-N 3.37Å; L94-S97 PolarHBondContact O-N 3.12Å; L94-A98 PolarHBondContact O-N 3.49Å
95	R	65.8	Low	65.5	Low	168 Å²	168	47.7 Å²	47.7	63%	0.634	27%	0.267	S	S	*	.	H	α-helix	trans	-60.5	-42.2	177.6	-73.7	178.7	-175.3	153.2	4.8	111	E91 D92 A98 G99	E91-R95 WeakPolarHBondContact O-CG 3.39Å; E91-R95 PolarHBondContact O-N 3.48Å; D92-R95 PolarHBondContact O-N 2.87Å; R95-A98 PolarHBondContact O-N 3.01Å; R95-G99 PolarHBondContact O-N 2.84Å
96	F	68	Low	65.7	Low	51 Å²	51	49.3 Å²	49.3	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-60.9	-47.3	173.7	178.6	-90.9	0	0	0	111.7	F21 F22 C25 D92 C93 L94 A98 G99 L100	F21-F96 HydrophobicContact CE1-CB 3.86Å; F21-F96 AromaticContact CE1-CD1 3.39Å; F21-F96 HydrophobicContact CE1-CD1 3.39Å; F21-F96 AromaticContact CE1-CD2 3.84Å; F21-F96 HydrophobicContact CE1-CD2 3.84Å; F21-F96 AromaticContact CE1-CE1 3.83Å; F21-F96 HydrophobicContact CE1-CE1 3.83Å; F21-F96 HydrophobicContact CE1-CE2 4.27Å; F21-F96 AromaticContact CE1-CG 3.38Å; F21-F96 HydrophobicContact CE1-CG 3.38Å; F21-F96 HydrophobicContact CE1-CZ 4.27Å; F21-F96 HydrophobicContact CE2-CD1 4.37Å; F21-F96 HydrophobicContact CE2-CE1 4.45Å; F21-F96 HydrophobicContact CZ-CB 4.23Å; F21-F96 AromaticContact CZ-CD1 3.17Å; F21-F96 HydrophobicContact CZ-CD1 3.17Å; F21-F96 HydrophobicContact CZ-CD2 4.46Å; F21-F96 AromaticContact CZ-CE1 3.53Å; F21-F96 HydrophobicContact CZ-CE1 3.53Å; F21-F96 AromaticContact CZ-CG 3.7Å; F21-F96 HydrophobicContact CZ-CG 3.7Å; F21-F96 HydrophobicContact CZ-CZ 4.35Å; F22-F96 HydrophobicContact CE1-CD2 4.24Å; C25-F96 HydrophobicContact CB-CE2 3.69Å; C25-F96 HydrophobicContact CB-CZ 3.46Å; C25-F96 VanDerWaalsContact CB-CZ 3.46Å; C25-F96 WeakPolarHBondContact SG-CZ 3.3Å; D92-F96 WeakPolarHBondContact O-CB 3.48Å; D92-F96 PolarHBondContact O-N 3.25Å; C93-F96 PolarHBondContact O-N 3.47Å; L94-F96 VanDerWaalsContact C-N 3.29Å; L94-F96 PolarHBondContact O-N 3.37Å; F96-A98 VanDerWaalsContact C-N 3.28Å; F96-A98 PolarHBondContact O-N 2.88Å; F96-G99 PolarHBondContact O-N 3.19Å; F96-L100 HydrophobicContact CD1-CD2 4.35Å; F96-L100 HydrophobicContact CE1-CB 4.31Å; F96-L100 HydrophobicContact CE1-CD2 3.63Å; F96-L100 HydrophobicContact CE1-CG 4.47Å; F96-L100 HydrophobicContact CZ-CD2 4.24Å; F96-L100 WeakPolarHBondContact O-CB 3.23Å; F96-L100 PolarHBondContact O-N 2.79Å
97	S	62.6	Low	65.9	Low	32 Å²	32	48.3 Å²	48.3	22%	0.224	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-37.4	177.9	-176.2	0	0	0	0	112.5	C93 L94 S101	C93-S97 WeakPolarHBondContact O-CB 3.33Å; C93-S97 PolarHBondContact O-N 2.91Å; L94-S97 PolarHBondContact O-N 3.12Å; S97-S101 WeakPolarHBondContact O-CB 3.43Å; S97-S101 PolarHBondContact O-N 2.96Å; S97-S101 PolarHBondContact O-OG 3.46Å
98	A	61.9	Low	65.7	Low	48 Å²	48	48.8 Å²	48.8	40%	0.397	27%	0.266	S	S	.	.	H	α-helix	trans	-66.1	-52	175.7	0	0	0	0	0	111.1	L94 R95 F96 L100 S101 E102	L94-A98 PolarHBondContact O-N 3.49Å; R95-A98 PolarHBondContact O-N 3.01Å; F96-A98 VanDerWaalsContact C-N 3.28Å; F96-A98 PolarHBondContact O-N 2.88Å; A98-L100 VanDerWaalsContact C-N 3.27Å; A98-L100 PolarHBondContact O-N 3.12Å; A98-S101 WeakPolarHBondContact O-CB 3.46Å; A98-S101 PolarHBondContact O-N 3.28Å; A98-E102 PolarHBondContact O-N 2.72Å
99	G	66.2	Low	65.6	Low	28 Å²	28	49.2 Å²	49.2	29%	0.289	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-34	177.4	0	0	0	0	0	113.3	R95 F96 S103	R95-G99 PolarHBondContact O-N 2.84Å; F96-G99 PolarHBondContact O-N 3.19Å; G99-S103 WeakPolarHBondContact O-CB 3.38Å; G99-S103 PolarHBondContact O-N 3.36Å; G99-S103 PolarHBondContact O-OG 3.08Å
100	L	67.2	Low	65.6	Low	20 Å²	20	51.7 Å²	51.7	11%	0.105	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-41.2	173.5	-178.2	61.6	0	0	0	111.8	F96 A98 S103 I104 F125 I134	F96-L100 HydrophobicContact CD1-CD2 4.35Å; F96-L100 HydrophobicContact CE1-CB 4.31Å; F96-L100 HydrophobicContact CE1-CD2 3.63Å; F96-L100 HydrophobicContact CE1-CG 4.47Å; F96-L100 HydrophobicContact CZ-CD2 4.24Å; F96-L100 WeakPolarHBondContact O-CB 3.23Å; F96-L100 PolarHBondContact O-N 2.79Å; A98-L100 VanDerWaalsContact C-N 3.27Å; A98-L100 PolarHBondContact O-N 3.12Å; L100-S103 PolarHBondContact O-N 2.82Å; L100-I104 HydrophobicContact CG-CD1 4.27Å; L100-I104 WeakPolarHBondContact O-CD1 3.33Å; L100-I104 VanDerWaalsContact O-CG1 3.28Å; L100-I104 WeakPolarHBondContact O-CG1 3.37Å; L100-I104 PolarHBondContact O-N 2.9Å; L100-F125 HydrophobicContact CD1-CE2 4.03Å; L100-F125 HydrophobicContact CD1-CZ 3.78Å; L100-I134 HydrophobicContact CD1-CD1 4.43Å; L100-I134 HydrophobicContact CD2-CB 4.42Å; L100-I134 HydrophobicContact CD2-CD1 3.36Å; L100-I134 HydrophobicContact CD2-CG1 3.88Å; L100-I134 HydrophobicContact CD2-CG2 3.68Å; L100-I134 HydrophobicContact CG-CD1 4.32Å; L100-I134 HydrophobicContact CG-CG2 4.06Å
101	S	63.6	Low	65.4	Low	27 Å²	27	50.7 Å²	50.7	19%	0.189	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-40.7	176.2	-57	0	0	0	0	111.9	S97 A98 I104 A105	S97-S101 WeakPolarHBondContact O-CB 3.43Å; S97-S101 PolarHBondContact O-N 2.96Å; S97-S101 PolarHBondContact O-OG 3.46Å; A98-S101 WeakPolarHBondContact O-CB 3.46Å; A98-S101 PolarHBondContact O-N 3.28Å; S101-I104 PolarHBondContact O-N 2.9Å; S101-A105 PolarHBondContact O-N 2.86Å; S101-A105 VanDerWaalsContact O-N 3.14Å
102	E	65.3	Low	65.2	Low	127 Å²	127	49.3 Å²	49.3	59%	0.593	27%	0.271	S	S	*	.	H	α-helix	trans	-63.2	-44.5	172.7	-71.1	169.9	-169.5	0	0	111.4	A98 I104 A105 I106	A98-E102 PolarHBondContact O-N 2.72Å; E102-I104 VanDerWaalsContact C-N 3.33Å; E102-I104 PolarHBondContact O-N 3.37Å; E102-A105 WeakPolarHBondContact O-CB 3.18Å; E102-A105 PolarHBondContact O-N 3.16Å; E102-A105 VanDerWaalsContact O-N 3.14Å; E102-I106 WeakPolarHBondContact O-CD1 3.46Å; E102-I106 WeakPolarHBondContact O-CG1 3.49Å; E102-I106 PolarHBondContact O-N 3.45Å
103	S	70.9	Confident	65.1	Low	42 Å²	42	52.9 Å²	52.9	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-40.6	177.2	-58.1	0	0	0	0	112	G99 L100 A105 I106 V107	G99-S103 WeakPolarHBondContact O-CB 3.38Å; G99-S103 PolarHBondContact O-N 3.36Å; G99-S103 PolarHBondContact O-OG 3.08Å; L100-S103 PolarHBondContact O-N 2.82Å; S103-A105 VanDerWaalsContact C-N 3.35Å; S103-A105 PolarHBondContact O-N 3.28Å; S103-I106 PolarHBondContact O-N 3.38Å; S103-V107 WeakPolarHBondContact O-CB 3.42Å; S103-V107 VanDerWaalsContact O-CG2 3.28Å; S103-V107 WeakPolarHBondContact O-CG2 3.43Å; S103-V107 PolarHBondContact O-N 2.94Å
104	I	65.2	Low	64.7	Low	7 Å²	7	56.1 Å²	56.1	4%	0.036	31%	0.305	C	S	.	.	H	α-helix	trans	-60.3	-44.8	173.9	-70.9	159.4	0	0	0	110.8	L100 S101 E102 I106 V107 M108 F125 M126 C129 I134 I135	L100-I104 HydrophobicContact CG-CD1 4.27Å; L100-I104 WeakPolarHBondContact O-CD1 3.33Å; L100-I104 VanDerWaalsContact O-CG1 3.28Å; L100-I104 WeakPolarHBondContact O-CG1 3.37Å; L100-I104 PolarHBondContact O-N 2.9Å; S101-I104 PolarHBondContact O-N 2.9Å; E102-I104 VanDerWaalsContact C-N 3.33Å; E102-I104 PolarHBondContact O-N 3.37Å; I104-I106 VanDerWaalsContact C-N 3.34Å; I104-I106 PolarHBondContact O-N 3.09Å; I104-V107 PolarHBondContact O-N 2.83Å; I104-M108 HydrophobicContact CG2-CG 4.15Å; I104-M108 VanDerWaalsContact O-CB 3.31Å; I104-M108 WeakPolarHBondContact O-CB 3.36Å; I104-M108 WeakPolarHBondContact O-CG 3.42Å; I104-M108 PolarHBondContact O-N 3.42Å; I104-F125 HydrophobicContact CB-CE1 4.46Å; I104-F125 HydrophobicContact CG1-CE1 3.68Å; I104-F125 HydrophobicContact CG1-CZ 4.11Å; I104-M126 HydrophobicContact CG2-CE 4.13Å; I104-M126 HydrophobicContact CG2-SD 4.18Å; I104-C129 HydrophobicContact CD1-CB 4.48Å; I104-I134 HydrophobicContact CD1-CG2 3.62Å; I104-I135 HydrophobicContact CD1-CG2 3.67Å; I104-I135 HydrophobicContact CG1-CG2 4.4Å; I104-I135 HydrophobicContact CG2-CG2 4.14Å
105	A	64	Low	64.3	Low	19 Å²	19	60.9 Å²	60.9	16%	0.157	33%	0.325	C	S	.	.	H	α-helix	trans	-58.9	-46.1	177.2	0	0	0	0	0	112	C45 V47 S101 E102 S103 M108 E109	C45-A105 HydrophobicContact CB-CB 3.56Å; V47-A105 HydrophobicContact CG2-CB 3.98Å; S101-A105 PolarHBondContact O-N 2.86Å; S101-A105 VanDerWaalsContact O-N 3.14Å; E102-A105 WeakPolarHBondContact O-CB 3.18Å; E102-A105 PolarHBondContact O-N 3.16Å; E102-A105 VanDerWaalsContact O-N 3.14Å; S103-A105 VanDerWaalsContact C-N 3.35Å; S103-A105 PolarHBondContact O-N 3.28Å; A105-M108 WeakPolarHBondContact O-CB 3.07Å; A105-M108 PolarHBondContact O-N 3.32Å; A105-E109 PolarHBondContact O-N 3.09Å; A105-E109 VanDerWaalsContact O-N 3.08Å
106	I	66.2	Low	63.7	Low	51 Å²	51	59.7 Å²	59.7	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-49.2	178.3	-66.9	158.1	0	0	0	110.7	F40 E102 S103 I104 M108 E109 M110	F40-I106 HydrophobicContact CD1-CD1 4.06Å; F40-I106 HydrophobicContact CD1-CG1 4.16Å; F40-I106 HydrophobicContact CE1-CB 4.4Å; F40-I106 HydrophobicContact CE1-CD1 3.32Å; F40-I106 HydrophobicContact CE1-CG1 3.65Å; F40-I106 HydrophobicContact CE1-CG2 3.84Å; F40-I106 HydrophobicContact CZ-CD1 3.9Å; E102-I106 WeakPolarHBondContact O-CD1 3.46Å; E102-I106 WeakPolarHBondContact O-CG1 3.49Å; E102-I106 PolarHBondContact O-N 3.45Å; S103-I106 PolarHBondContact O-N 3.38Å; I104-I106 VanDerWaalsContact C-N 3.34Å; I104-I106 PolarHBondContact O-N 3.09Å; I106-M108 VanDerWaalsContact C-N 3.27Å; I106-M108 PolarHBondContact O-N 2.86Å; I106-E109 WeakPolarHBondContact O-CB 3.4Å; I106-E109 PolarHBondContact O-N 3.42Å; I106-E109 VanDerWaalsContact O-N 3.14Å; I106-M110 HydrophobicContact CG2-CG 4.38Å; I106-M110 HydrophobicContact CG2-SD 4.02Å; I106-M110 WeakPolarHBondContact O-CG 3.13Å; I106-M110 PolarHBondContact O-N 3.38Å
107	V	67.4	Low	62.8	Low	2 Å²	2	65 Å²	65	1%	0.012	36%	0.357	C	S	.	.	H	α-helix	trans	-61.1	-39.8	180	167.6	0	0	0	0	111	W28 S103 I104 E109 M110 L111 A122 F125 M126	W28-V107 HydrophobicContact CH2-CG2 3.52Å; W28-V107 HydrophobicContact CZ3-CG2 3.91Å; S103-V107 WeakPolarHBondContact O-CB 3.42Å; S103-V107 VanDerWaalsContact O-CG2 3.28Å; S103-V107 WeakPolarHBondContact O-CG2 3.43Å; S103-V107 PolarHBondContact O-N 2.94Å; I104-V107 PolarHBondContact O-N 2.83Å; V107-E109 VanDerWaalsContact C-N 3.34Å; V107-E109 PolarHBondContact O-N 3.45Å; V107-M110 PolarHBondContact O-N 3.47Å; V107-L111 HydrophobicContact CG1-CD1 3.82Å; V107-L111 HydrophobicContact CG1-CG 4.23Å; V107-L111 WeakPolarHBondContact O-CB 3.36Å; V107-L111 WeakPolarHBondContact O-CG 3.34Å; V107-L111 PolarHBondContact O-N 2.96Å; V107-A122 HydrophobicContact CG1-CB 3.72Å; V107-F125 HydrophobicContact CB-CD1 4.06Å; V107-F125 HydrophobicContact CB-CE1 4.31Å; V107-F125 HydrophobicContact CG1-CD1 4Å; V107-F125 HydrophobicContact CG2-CD1 3.74Å; V107-F125 HydrophobicContact CG2-CE1 3.97Å; V107-F125 HydrophobicContact CG2-CG 4.49Å; V107-M126 HydrophobicContact CG1-CG 3.75Å; V107-M126 HydrophobicContact CG1-SD 3.99Å
108	M	65.4	Low	62.8	Low	42 Å²	42	67.2 Å²	67.2	21%	0.207	37%	0.366	C	S	.	.	H	α-helix	trans	-62.7	-39.2	175.7	-71	-87.9	-62.9	0	0	112.8	I104 A105 I106 S112 M126 C141 C144	I104-M108 HydrophobicContact CG2-CG 4.15Å; I104-M108 VanDerWaalsContact O-CB 3.31Å; I104-M108 WeakPolarHBondContact O-CB 3.36Å; I104-M108 WeakPolarHBondContact O-CG 3.42Å; I104-M108 PolarHBondContact O-N 3.42Å; A105-M108 WeakPolarHBondContact O-CB 3.07Å; A105-M108 PolarHBondContact O-N 3.32Å; I106-M108 VanDerWaalsContact C-N 3.27Å; I106-M108 PolarHBondContact O-N 2.86Å; M108-S112 PolarHBondContact O-N 3.15Å; M108-S112 VanDerWaalsContact O-N 3.16Å; M108-S112 PolarHBondContact O-OG 3.39Å; M108-M126 HydrophobicContact CG-CE 4.08Å; M108-M126 HydrophobicContact CG-SD 4.46Å; M108-M126 HydrophobicContact SD-CE 3.64Å; M108-C141 HydrophobicContact CE-CB 3.83Å; M108-C141 WeakPolarHBondContact CE-SG 3.27Å; M108-C141 HydrophobicContact SD-CB 4.19Å; M108-C144 PolarHBondContact SD-SG 3.07Å
109	E	66.1	Low	62.8	Low	70 Å²	70	65.9 Å²	65.9	33%	0.327	36%	0.355	S	S	.	.	H	α-helix	trans	-67.4	-45.6	174.8	-170.4	173	-170.8	0	0	110.9	A105 I106 V107 L111 S112 D113	A105-E109 PolarHBondContact O-N 3.09Å; A105-E109 VanDerWaalsContact O-N 3.08Å; I106-E109 WeakPolarHBondContact O-CB 3.4Å; I106-E109 PolarHBondContact O-N 3.42Å; I106-E109 VanDerWaalsContact O-N 3.14Å; V107-E109 VanDerWaalsContact C-N 3.34Å; V107-E109 PolarHBondContact O-N 3.45Å; E109-L111 VanDerWaalsContact C-N 3.34Å; E109-L111 PolarHBondContact O-N 2.9Å; E109-S112 WeakPolarHBondContact O-CA 3.41Å; E109-S112 WeakPolarHBondContact O-CB 3.3Å; E109-S112 PolarHBondContact O-N 2.85Å; E109-D113 PolarHBondContact O-N 2.84Å
110	M	65	Low	62.6	Low	89 Å²	89	67.1 Å²	67.1	44%	0.438	36%	0.355	S	S	.	.	H	α-helix	trans	-58.1	-43.7	174.8	-70	176.8	67.8	0	0	112.5	I106 V107 S112 D113 D118	I106-M110 HydrophobicContact CG2-CG 4.38Å; I106-M110 HydrophobicContact CG2-SD 4.02Å; I106-M110 WeakPolarHBondContact O-CG 3.13Å; I106-M110 PolarHBondContact O-N 3.38Å; V107-M110 PolarHBondContact O-N 3.47Å; M110-S112 PolarHBondContact O-N 2.92Å; M110-D113 PolarHBondContact O-N 3.21Å; M110-D118 HydrophobicContact CE-CB 4.42Å
111	L	62.8	Low	62.5	Low	7 Å²	7	69.4 Å²	69.4	4%	0.037	37%	0.365	C	S	.	.	H	α-helix	trans	-65.3	-26.4	176.1	-69.3	169.5	0	0	0	111.8	V107 E109 A122 V123 M126 T147	V107-L111 HydrophobicContact CG1-CD1 3.82Å; V107-L111 HydrophobicContact CG1-CG 4.23Å; V107-L111 WeakPolarHBondContact O-CB 3.36Å; V107-L111 WeakPolarHBondContact O-CG 3.34Å; V107-L111 PolarHBondContact O-N 2.96Å; E109-L111 VanDerWaalsContact C-N 3.34Å; E109-L111 PolarHBondContact O-N 2.9Å; L111-A122 HydrophobicContact CD1-CB 4.46Å; L111-A122 HydrophobicContact CD2-CB 3.63Å; L111-A122 HydrophobicContact CG-CB 3.96Å; L111-V123 HydrophobicContact CD2-CG2 3.9Å; L111-M126 HydrophobicContact CD1-CG 3.89Å; L111-T147 HydrophobicContact CD2-CG2 3.4Å; L111-T147 PolarHBondContact O-OG1 2.99Å
112	S	64	Low	62.6	Low	73 Å²	73	68.2 Å²	68.2	51%	0.51	36%	0.357	S	S	.	.	H	α-helix	trans	-81.3	-31.2	179.3	-57.8	0	0	0	0	113	M108 E109 M110 N114	M108-S112 PolarHBondContact O-N 3.15Å; M108-S112 VanDerWaalsContact O-N 3.16Å; M108-S112 PolarHBondContact O-OG 3.39Å; E109-S112 WeakPolarHBondContact O-CA 3.41Å; E109-S112 WeakPolarHBondContact O-CB 3.3Å; E109-S112 PolarHBondContact O-N 2.85Å; M110-S112 PolarHBondContact O-N 2.92Å; S112-N114 VanDerWaalsContact C-N 3.28Å; S112-N114 PolarHBondContact O-N 2.92Å
113	D	63.5	Low	62.6	Low	106 Å²	106	62.2 Å²	62.2	57%	0.567	33%	0.329	S	S	*	.	S	Bend	trans	-78.8	-1.9	-173.9	-96.1	-9.4	0	0	0	114.7	E109 M110 Q115	E109-D113 PolarHBondContact O-N 2.84Å; M110-D113 PolarHBondContact O-N 3.21Å; D113-Q115 WeakPolarHBondContact O-CG 3.36Å; D113-Q115 PolarHBondContact O-N 3.48Å
114	N	54.9	Low	62.4	Low	103 Å²	103	63 Å²	63	55%	0.551	33%	0.329	S	S	*	.			trans	53.7	8.1	178.2	-72.7	-40.7	0	0	0	115.4	S112 Q116	S112-N114 VanDerWaalsContact C-N 3.28Å; S112-N114 PolarHBondContact O-N 2.92Å; N114-Q116 VanDerWaalsContact O-CG 3.29Å; N114-Q116 WeakPolarHBondContact O-CG 3.43Å
115	Q	54.2	Low	62.5	Low	167 Å²	167	63.2 Å²	63.2	78%	0.78	33%	0.33	S	S	*	.			trans	-82.7	125.4	176.5	-62.6	-163.9	9	0	0	109.8	D113 L117	D113-Q115 WeakPolarHBondContact O-CG 3.36Å; D113-Q115 PolarHBondContact O-N 3.48Å; Q115-L117 PolarHBondContact O-N 3.23Å
116	Q	52.6	Low	62.6	Low	143 Å²	143	62.5 Å²	62.5	67%	0.668	32%	0.324	S	S	*	.			trans	-92.7	6.3	-139.2	-64.2	-173.7	-19	0	0	117.1	N114 Y156	N114-Q116 VanDerWaalsContact O-CG 3.29Å; N114-Q116 WeakPolarHBondContact O-CG 3.43Å; Q116-Y156 HydrophobicContact CG-CE1 4.14Å
117	L	49.9	Very low	62.5	Low	163 Å²	163	60.2 Å²	60.2	85%	0.853	31%	0.312	S	S	*	.	S	Bend	trans	-80.3	-32.5	-163.9	-85.9	155.7	0	0	0	115.1	Q115	Q115-L117 PolarHBondContact O-N 3.23Å
118	D	62.8	Low	62.4	Low	77 Å²	77	62 Å²	62	41%	0.412	33%	0.326	S	S	.	.	S	Bend	trans	-132.1	25.1	-175.2	-61.6	-46.3	0	0	0	114.4	M110 L120 E121 A122	M110-D118 HydrophobicContact CE-CB 4.42Å; D118-L120 PolarHBondContact O-N 3.32Å; D118-L120 VanDerWaalsContact O-N 3.16Å; D118-E121 PolarHBondContact O-N 2.89Å; D118-E121 VanDerWaalsContact O-N 3.13Å; D118-A122 WeakPolarHBondContact O-CB 3.25Å; D118-A122 PolarHBondContact O-N 2.84Å
119	A	61.4	Low	62.4	Low	20 Å²	20	60.1 Å²	60.1	17%	0.165	32%	0.318	C	S	.	.	H	α-helix	trans	-56.6	-34.8	-178.9	0	0	0	0	0	112.7	V123 T147	A119-V123 WeakPolarHBondContact O-CB 3.45Å; A119-V123 VanDerWaalsContact O-CG2 3.25Å; A119-V123 WeakPolarHBondContact O-CG2 3.2Å; A119-V123 PolarHBondContact O-N 2.8Å; A119-T147 HydrophobicContact CB-CG2 4.41Å
120	L	62.6	Low	62.1	Low	55 Å²	55	57.7 Å²	57.7	29%	0.288	31%	0.31	S	S	.	.	H	α-helix	trans	-65.8	-46.9	177.4	-174.6	65	0	0	0	112.2	D118 V123 L124 C158 I166	D118-L120 PolarHBondContact O-N 3.32Å; D118-L120 VanDerWaalsContact O-N 3.16Å; L120-V123 PolarHBondContact O-N 3.36Å; L120-L124 HydrophobicContact CG-CD1 4.29Å; L120-L124 WeakPolarHBondContact O-CB 3.48Å; L120-L124 VanDerWaalsContact O-CG 3.29Å; L120-L124 WeakPolarHBondContact O-CG 3.47Å; L120-L124 PolarHBondContact O-N 3.35Å; L120-C158 VanDerWaalsContact CD1-SG 3.56Å; L120-I166 HydrophobicContact CD1-CD1 3.21Å; L120-I166 HydrophobicContact CG-CD1 4.48Å
121	E	64.6	Low	61.9	Low	67 Å²	67	57.4 Å²	57.4	31%	0.313	31%	0.307	S	S	.	.	H	α-helix	trans	-65.8	-43.8	179.3	-62.3	-162.8	165.1	0	0	110.6	W28 N31 D118 V123 L124 F125	W28-E121 HydrophobicContact CZ2-CB 4.46Å; W28-E121 WeakPolarHBondContact CZ2-O 3.47Å; N31-E121 PolarHBondContact ND2-OE1 2.94Å; D118-E121 PolarHBondContact O-N 2.89Å; D118-E121 VanDerWaalsContact O-N 3.13Å; E121-V123 PolarHBondContact O-N 3.03Å; E121-L124 PolarHBondContact O-N 2.77Å; E121-F125 PolarHBondContact O-N 3.19Å
122	A	66.1	Low	61.9	Low	3 Å²	3	63.8 Å²	63.8	3%	0.025	34%	0.335	C	S	.	.	H	α-helix	trans	-57	-44.4	174.1	0	0	0	0	0	112.5	V107 L111 D118 F125 M126	V107-A122 HydrophobicContact CG1-CB 3.72Å; L111-A122 HydrophobicContact CD1-CB 4.46Å; L111-A122 HydrophobicContact CD2-CB 3.63Å; L111-A122 HydrophobicContact CG-CB 3.96Å; D118-A122 WeakPolarHBondContact O-CB 3.25Å; D118-A122 PolarHBondContact O-N 2.84Å; A122-F125 WeakPolarHBondContact O-CB 3.32Å; A122-F125 PolarHBondContact O-N 3.32Å; A122-M126 WeakPolarHBondContact O-CG 3.41Å; A122-M126 PolarHBondContact O-N 2.93Å; A122-M126 VanDerWaalsContact O-N 3.09Å
123	V	65.2	Low	61.8	Low	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.8	-47.5	174.1	162.9	0	0	0	0	111.1	L111 A119 L120 E121 F125 M126 V127 T147 I148 I166	L111-V123 HydrophobicContact CD2-CG2 3.9Å; A119-V123 WeakPolarHBondContact O-CB 3.45Å; A119-V123 VanDerWaalsContact O-CG2 3.25Å; A119-V123 WeakPolarHBondContact O-CG2 3.2Å; A119-V123 PolarHBondContact O-N 2.8Å; L120-V123 PolarHBondContact O-N 3.36Å; E121-V123 PolarHBondContact O-N 3.03Å; V123-F125 PolarHBondContact O-N 2.97Å; V123-M126 PolarHBondContact O-N 2.87Å; V123-M126 VanDerWaalsContact O-N 3.12Å; V123-V127 HydrophobicContact CG1-CG2 4.33Å; V123-V127 WeakPolarHBondContact O-CG2 3.48Å; V123-V127 PolarHBondContact O-N 3.44Å; V123-T147 HydrophobicContact CG2-CG2 4.08Å; V123-I148 HydrophobicContact CB-CG1 4.39Å; V123-I148 HydrophobicContact CG1-CG1 3.76Å; V123-I148 HydrophobicContact CG2-CG1 3.85Å; V123-I166 HydrophobicContact CG1-CG2 4.28Å
124	L	65.8	Low	61.7	Low	58 Å²	58	67.3 Å²	67.3	30%	0.304	34%	0.338	S	S	.	.	H	α-helix	trans	-59.4	-34.8	178.9	-73.8	170.9	0	0	0	112.2	L120 E121 A128 I166	L120-L124 HydrophobicContact CG-CD1 4.29Å; L120-L124 WeakPolarHBondContact O-CB 3.48Å; L120-L124 VanDerWaalsContact O-CG 3.29Å; L120-L124 WeakPolarHBondContact O-CG 3.47Å; L120-L124 PolarHBondContact O-N 3.35Å; E121-L124 PolarHBondContact O-N 2.77Å; L124-A128 WeakPolarHBondContact O-CB 3.34Å; L124-A128 PolarHBondContact O-N 3.48Å; L124-I166 HydrophobicContact CD2-CD1 4.07Å; L124-I166 HydrophobicContact CD2-CG1 3.82Å; L124-I166 HydrophobicContact CG-CD1 4.36Å
125	F	67.8	Low	61.9	Low	13 Å²	13	63.7 Å²	63.7	6%	0.057	32%	0.319	C	S	.	.	H	α-helix	trans	-66	-46	173.2	-178.6	-107.6	0	0	0	113.6	W28 L100 I104 V107 E121 A122 V123 V127 A128 C129	W28-F125 AromaticContact CD1-CD2 3.86Å; W28-F125 HydrophobicContact CD2-CB 4.26Å; W28-F125 AromaticContact CD2-CD2 3.31Å; W28-F125 HydrophobicContact CD2-CD2 3.31Å; W28-F125 AromaticContact CD2-CE2 3.86Å; W28-F125 HydrophobicContact CD2-CE2 3.86Å; W28-F125 AromaticContact CD2-CG 3.98Å; W28-F125 HydrophobicContact CD2-CG 3.98Å; W28-F125 AromaticContact CE2-CD2 3.31Å; W28-F125 AromaticContact CE2-CG 3.54Å; W28-F125 AromaticContact CE3-CD2 3.72Å; W28-F125 HydrophobicContact CE3-CD2 3.72Å; W28-F125 AromaticContact CE3-CE2 3.89Å; W28-F125 HydrophobicContact CE3-CE2 3.89Å; W28-F125 HydrophobicContact CE3-CG 4.28Å; W28-F125 AromaticContact CG-CD2 3.78Å; W28-F125 HydrophobicContact CG-CD2 3.78Å; W28-F125 HydrophobicContact CG-CE2 4.3Å; W28-F125 HydrophobicContact CH2-CB 3.88Å; W28-F125 HydrophobicContact CH2-CD1 4.28Å; W28-F125 HydrophobicContact CH2-CD2 4.12Å; W28-F125 AromaticContact CH2-CG 3.84Å; W28-F125 HydrophobicContact CH2-CG 3.84Å; W28-F125 HydrophobicContact CZ2-CB 3.16Å; W28-F125 HydrophobicContact CZ2-CD1 4.37Å; W28-F125 AromaticContact CZ2-CD2 3.8Å; W28-F125 HydrophobicContact CZ2-CD2 3.8Å; W28-F125 AromaticContact CZ2-CG 3.54Å; W28-F125 HydrophobicContact CZ2-CG 3.54Å; W28-F125 HydrophobicContact CZ3-CD2 4.07Å; W28-F125 HydrophobicContact CZ3-CE2 4.32Å; W28-F125 HydrophobicContact CZ3-CG 4.19Å; W28-F125 AromaticContact NE1-CD2 3.57Å; W28-F125 AromaticContact NE1-CG 3.94Å; L100-F125 HydrophobicContact CD1-CE2 4.03Å; L100-F125 HydrophobicContact CD1-CZ 3.78Å; I104-F125 HydrophobicContact CB-CE1 4.46Å; I104-F125 HydrophobicContact CG1-CE1 3.68Å; I104-F125 HydrophobicContact CG1-CZ 4.11Å; V107-F125 HydrophobicContact CB-CD1 4.06Å; V107-F125 HydrophobicContact CB-CE1 4.31Å; V107-F125 HydrophobicContact CG1-CD1 4Å; V107-F125 HydrophobicContact CG2-CD1 3.74Å; V107-F125 HydrophobicContact CG2-CE1 3.97Å; V107-F125 HydrophobicContact CG2-CG 4.49Å; E121-F125 PolarHBondContact O-N 3.19Å; A122-F125 WeakPolarHBondContact O-CB 3.32Å; A122-F125 PolarHBondContact O-N 3.32Å; V123-F125 PolarHBondContact O-N 2.97Å; F125-V127 VanDerWaalsContact C-N 3.3Å; F125-V127 PolarHBondContact O-N 2.92Å; F125-A128 PolarHBondContact O-N 3.04Å; F125-C129 WeakPolarHBondContact O-CB 3.42Å; F125-C129 PolarHBondContact O-N 3.01Å; F125-C129 PolarHBondContact O-SG 2.75Å
126	M	67.4	Low	61.8	Low	4 Å²	4	60.3 Å²	60.3	2%	0.02	31%	0.314	C	S	.	.	H	α-helix	trans	-64.2	-39.7	178.1	-68.9	-55.3	-68.8	0	0	110.8	I104 V107 M108 L111 A122 V123 C129 A130 I135	I104-M126 HydrophobicContact CG2-CE 4.13Å; I104-M126 HydrophobicContact CG2-SD 4.18Å; V107-M126 HydrophobicContact CG1-CG 3.75Å; V107-M126 HydrophobicContact CG1-SD 3.99Å; M108-M126 HydrophobicContact CG-CE 4.08Å; M108-M126 HydrophobicContact CG-SD 4.46Å; M108-M126 HydrophobicContact SD-CE 3.64Å; L111-M126 HydrophobicContact CD1-CG 3.89Å; A122-M126 WeakPolarHBondContact O-CG 3.41Å; A122-M126 PolarHBondContact O-N 2.93Å; A122-M126 VanDerWaalsContact O-N 3.09Å; V123-M126 PolarHBondContact O-N 2.87Å; V123-M126 VanDerWaalsContact O-N 3.12Å; M126-C129 PolarHBondContact O-N 2.84Å; M126-A130 WeakPolarHBondContact O-CB 3.48Å; M126-A130 PolarHBondContact O-N 2.84Å; M126-I135 HydrophobicContact CE-CD1 3.47Å; M126-I135 VanDerWaalsContact CE-CD1 3.47Å; M126-I135 HydrophobicContact SD-CD1 4.47Å
127	V	64.2	Low	61.8	Low	3 Å²	3	57.7 Å²	57.7	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-48.3	171.4	174.5	0	0	0	0	110.7	V123 F125 C129 A130 E131 R169 M173	V123-V127 HydrophobicContact CG1-CG2 4.33Å; V123-V127 WeakPolarHBondContact O-CG2 3.48Å; V123-V127 PolarHBondContact O-N 3.44Å; F125-V127 VanDerWaalsContact C-N 3.3Å; F125-V127 PolarHBondContact O-N 2.92Å; V127-C129 VanDerWaalsContact C-N 3.32Å; V127-C129 PolarHBondContact O-N 3.39Å; V127-A130 WeakPolarHBondContact O-CB 3.4Å; V127-A130 PolarHBondContact O-N 3.1Å; V127-A130 VanDerWaalsContact O-N 3.15Å; V127-E131 HydrophobicContact CG1-CG 4.4Å; V127-E131 WeakPolarHBondContact O-CG 3.47Å; V127-E131 PolarHBondContact O-N 3.44Å; V127-R169 HydrophobicContact CG1-CB 4.4Å; V127-M173 HydrophobicContact CB-CE 4.49Å; V127-M173 HydrophobicContact CG1-CE 4.08Å; V127-M173 HydrophobicContact CG1-SD 4.37Å; V127-M173 HydrophobicContact CG2-CE 4.06Å
128	A	65.1	Low	61.7	Low	38 Å²	38	50.9 Å²	50.9	31%	0.314	27%	0.266	S	S	.	.	H	α-helix	trans	-61.7	-39.5	177.6	0	0	0	0	0	112.3	L124 F125 A130 K132	L124-A128 WeakPolarHBondContact O-CB 3.34Å; L124-A128 PolarHBondContact O-N 3.48Å; F125-A128 PolarHBondContact O-N 3.04Å; A128-A130 VanDerWaalsContact C-N 3.33Å; A128-A130 PolarHBondContact O-N 3.26Å; A128-K132 VanDerWaalsContact O-CG 3.3Å; A128-K132 WeakPolarHBondContact O-CG 3.45Å; A128-K132 PolarHBondContact O-N 2.85Å; A128-K132 VanDerWaalsContact O-N 3.13Å
129	C	64.5	Low	60.9	Low	3 Å²	3	49.7 Å²	49.7	2%	0.02	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-40.2	174.9	-70.6	0	0	0	0	111.8	I104 F125 M126 V127 K132 K133 I134 I135	I104-C129 HydrophobicContact CD1-CB 4.48Å; F125-C129 WeakPolarHBondContact O-CB 3.42Å; F125-C129 PolarHBondContact O-N 3.01Å; F125-C129 PolarHBondContact O-SG 2.75Å; M126-C129 PolarHBondContact O-N 2.84Å; V127-C129 VanDerWaalsContact C-N 3.32Å; V127-C129 PolarHBondContact O-N 3.39Å; C129-K132 PolarHBondContact O-N 3.09Å; C129-K133 PolarHBondContact O-N 3.37Å; C129-I134 HydrophobicContact CB-CB 4.25Å; C129-I134 HydrophobicContact CB-CD1 4.47Å; C129-I134 WeakPolarHBondContact O-CB 3.43Å; C129-I134 PolarHBondContact O-N 3.21Å; C129-I135 HydrophobicContact CB-CD1 3.87Å; C129-I135 HydrophobicContact CB-CG1 4Å; C129-I135 HydrophobicContact CB-CG2 4.47Å
130	A	60.6	Low	60.2	Low	20 Å²	20	54.9 Å²	54.9	17%	0.165	28%	0.283	C	S	.	.	H	α-helix	trans	-66.6	-48	177.7	0	0	0	0	0	112	M126 V127 A128 K132 K133 I135 V138 M173	M126-A130 WeakPolarHBondContact O-CB 3.48Å; M126-A130 PolarHBondContact O-N 2.84Å; V127-A130 WeakPolarHBondContact O-CB 3.4Å; V127-A130 PolarHBondContact O-N 3.1Å; V127-A130 VanDerWaalsContact O-N 3.15Å; A128-A130 VanDerWaalsContact C-N 3.33Å; A128-A130 PolarHBondContact O-N 3.26Å; A130-K132 PolarHBondContact O-N 2.94Å; A130-K133 WeakPolarHBondContact O-CA 3.29Å; A130-K133 PolarHBondContact O-N 2.89Å; A130-I135 HydrophobicContact CB-CD1 4.25Å; A130-I135 HydrophobicContact CB-CG1 4.17Å; A130-V138 HydrophobicContact CB-CG2 3.44Å; A130-V138 VanDerWaalsContact CB-CG2 3.44Å; A130-M173 HydrophobicContact CB-SD 3.85Å
131	E	59.8	Low	59.6	Low	83 Å²	83	53.5 Å²	53.5	39%	0.388	28%	0.278	S	S	.	.	H	α-helix	trans	-59.4	-33.4	177.5	-74	178.1	173.5	0	0	112.6	V127 K133 R169	V127-E131 HydrophobicContact CG1-CG 4.4Å; V127-E131 WeakPolarHBondContact O-CG 3.47Å; V127-E131 PolarHBondContact O-N 3.44Å; E131-K133 VanDerWaalsContact C-N 3.28Å; E131-R169 IonicContact OE1-CZ 2.71Å; E131-R169 IonicContact OE1-NE 3.66Å; E131-R169 PolarHBondContact OE1-NE 2.86Å; E131-R169 IonicContact OE1-NH2 2.71Å; E131-R169 PolarHBondContact OE1-NH2 3.3Å; E131-R169 IonicContact OE2-CZ 3.21Å; E131-R169 IonicContact OE2-NH2 3.16Å; E131-R169 PolarHBondContact OE2-NH2 3.48Å
132	K	62.6	Low	58.9	Low	140 Å²	140	56.3 Å²	56.3	61%	0.609	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	5.6	175.6	-59.8	-54.9	178.2	-165.5	0	113.5	A128 C129 A130 I134	A128-K132 VanDerWaalsContact O-CG 3.3Å; A128-K132 WeakPolarHBondContact O-CG 3.45Å; A128-K132 PolarHBondContact O-N 2.85Å; A128-K132 VanDerWaalsContact O-N 3.13Å; C129-K132 PolarHBondContact O-N 3.09Å; A130-K132 PolarHBondContact O-N 2.94Å; K132-I134 HydrophobicContact CB-CD1 3.83Å; K132-I134 HydrophobicContact CB-CG1 4.03Å; K132-I134 PolarHBondContact O-N 3.45Å; K132-I134 VanDerWaalsContact O-N 3.16Å
133	K	61.8	Low	58.2	Low	186 Å²	186	57.2 Å²	57.2	81%	0.809	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	27.9	-179.4	-53.2	-177.5	179.3	-174.5	0	113.1	C129 A130 E131	C129-K133 PolarHBondContact O-N 3.37Å; A130-K133 WeakPolarHBondContact O-CA 3.29Å; A130-K133 PolarHBondContact O-N 2.89Å; E131-K133 VanDerWaalsContact C-N 3.28Å
134	I	62.4	Low	57.6	Low	67 Å²	67	57.3 Å²	57.3	34%	0.344	30%	0.304	S	S	.	.	S	Bend	trans	-70.9	-45.1	175.4	-68.5	160.5	0	0	0	109.2	L100 I104 C129 K132	L100-I134 HydrophobicContact CD1-CD1 4.43Å; L100-I134 HydrophobicContact CD2-CB 4.42Å; L100-I134 HydrophobicContact CD2-CD1 3.36Å; L100-I134 HydrophobicContact CD2-CG1 3.88Å; L100-I134 HydrophobicContact CD2-CG2 3.68Å; L100-I134 HydrophobicContact CG-CD1 4.32Å; L100-I134 HydrophobicContact CG-CG2 4.06Å; I104-I134 HydrophobicContact CD1-CG2 3.62Å; C129-I134 HydrophobicContact CB-CB 4.25Å; C129-I134 HydrophobicContact CB-CD1 4.47Å; C129-I134 WeakPolarHBondContact O-CB 3.43Å; C129-I134 PolarHBondContact O-N 3.21Å; K132-I134 HydrophobicContact CB-CD1 3.83Å; K132-I134 HydrophobicContact CB-CG1 4.03Å; K132-I134 PolarHBondContact O-N 3.45Å; K132-I134 VanDerWaalsContact O-N 3.16Å
135	I	59.6	Low	57.2	Low	27 Å²	27	56 Å²	56	14%	0.138	30%	0.295	C	S	.	.	S	Bend	trans	-100.6	128.4	169.9	57.2	-175.1	0	0	0	107.4	I104 M126 C129 A130 H137 V138	I104-I135 HydrophobicContact CD1-CG2 3.67Å; I104-I135 HydrophobicContact CG1-CG2 4.4Å; I104-I135 HydrophobicContact CG2-CG2 4.14Å; M126-I135 HydrophobicContact CE-CD1 3.47Å; M126-I135 VanDerWaalsContact CE-CD1 3.47Å; M126-I135 HydrophobicContact SD-CD1 4.47Å; C129-I135 HydrophobicContact CB-CD1 3.87Å; C129-I135 HydrophobicContact CB-CG1 4Å; C129-I135 HydrophobicContact CB-CG2 4.47Å; A130-I135 HydrophobicContact CB-CD1 4.25Å; A130-I135 HydrophobicContact CB-CG1 4.17Å; I135-H137 VanDerWaalsContact C-N 3.32Å; I135-V138 HydrophobicContact CD1-CG2 3.48Å; I135-V138 VanDerWaalsContact CD1-CG2 3.48Å; I135-V138 HydrophobicContact CG1-CG2 4.15Å
136	S	50.7	Low	56.6	Low	97 Å²	97	59.1 Å²	59.1	68%	0.678	31%	0.313	S	S	*	.	S	Bend	trans	-71.7	-29.1	-175.1	47	0	0	0	0	112.4
137	H	52.4	Low	56	Low	88 Å²	88	59.3 Å²	59.3	41%	0.407	31%	0.314	S	S	.	.			trans	-152.9	98.1	-174	-59.6	-72.1	0	0	0	110.7	I135 E139 N140	I135-H137 VanDerWaalsContact C-N 3.32Å; H137-E139 HydrophobicContact CB-CB 4.21Å; H137-E139 IonicContact CE1-OE2 4Å; H137-E139 IonicContact CG-OE2 3.89Å; H137-E139 IonicContact ND1-OE2 3.01Å; H137-E139 PolarHBondContact ND1-OE2 3.41Å; H137-E139 PolarHBondContact O-N 3.26Å; H137-N140 HydrophobicContact CB-CB 4.28Å; H137-N140 WeakPolarHBondContact CB-ND2 3.49Å; H137-N140 PolarHBondContact O-N 2.74Å
138	V	49.3	Very low	55.5	Low	19 Å²	19	59.3 Å²	59.3	12%	0.115	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-58.7	-25.8	159.1	-179.8	0	0	0	0	109.8	A130 I135 N140 C141 C144 I148	A130-V138 HydrophobicContact CB-CG2 3.44Å; A130-V138 VanDerWaalsContact CB-CG2 3.44Å; I135-V138 HydrophobicContact CD1-CG2 3.48Å; I135-V138 VanDerWaalsContact CD1-CG2 3.48Å; I135-V138 HydrophobicContact CG1-CG2 4.15Å; V138-N140 PolarHBondContact O-N 3.12Å; V138-N140 VanDerWaalsContact O-N 3.09Å; V138-C141 PolarHBondContact O-N 3.09Å; V138-C141 VanDerWaalsContact O-N 3.09Å; V138-C144 HydrophobicContact CG1-CB 4.05Å; V138-I148 HydrophobicContact CG1-CD1 4.03Å
139	E	45.4	Very low	54.9	Low	53 Å²	53	58.1 Å²	58.1	25%	0.248	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-54.1	-25.8	177.8	-52.1	174.3	145.6	0	0	114.1	H137 N177 M179	H137-E139 HydrophobicContact CB-CB 4.21Å; H137-E139 IonicContact CE1-OE2 4Å; H137-E139 IonicContact CG-OE2 3.89Å; H137-E139 IonicContact ND1-OE2 3.01Å; H137-E139 PolarHBondContact ND1-OE2 3.41Å; H137-E139 PolarHBondContact O-N 3.26Å; E139-N177 WeakPolarHBondContact OE1-CB 3.47Å; E139-M179 HydrophobicContact CB-CE 4.34Å; E139-M179 HydrophobicContact CG-CE 4.38Å; E139-M179 WeakPolarHBondContact OE1-CG 3.36Å
140	N	46	Very low	54.4	Low	129 Å²	129	60.9 Å²	60.9	69%	0.69	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-98	-4.5	-176.9	-67.3	-26.7	0	0	0	113.6	H137 V138	H137-N140 HydrophobicContact CB-CB 4.28Å; H137-N140 WeakPolarHBondContact CB-ND2 3.49Å; H137-N140 PolarHBondContact O-N 2.74Å; V138-N140 PolarHBondContact O-N 3.12Å; V138-N140 VanDerWaalsContact O-N 3.09Å
141	C	50.9	Low	53.9	Low	25 Å²	25	60.1 Å²	60.1	17%	0.169	31%	0.311	C	S	.	.			trans	-102.2	95.4	174.9	-176.5	0	0	0	0	110.6	M108 V138 G143 C144 W145	M108-C141 HydrophobicContact CE-CB 3.83Å; M108-C141 WeakPolarHBondContact CE-SG 3.27Å; M108-C141 HydrophobicContact SD-CB 4.19Å; V138-C141 PolarHBondContact O-N 3.09Å; V138-C141 VanDerWaalsContact O-N 3.09Å; C141-G143 PolarHBondContact O-N 2.93Å; C141-C144 HydrophobicContact CB-CB 3.86Å; C141-C144 WeakPolarHBondContact O-CB 3.39Å; C141-C144 PolarHBondContact O-N 3.46Å; C141-C144 VanDerWaalsContact O-N 3.12Å; C141-C144 PolarHBondContact SG-N 3.33Å; C141-C144 VanDerWaalsContact SG-SG 3.65Å; C141-W145 PolarHBondContact O-N 3.3Å
142	L	48.6	Very low	53.4	Low	127 Å²	127	57.8 Å²	57.8	67%	0.665	30%	0.304	S	S	*	.	H	α-helix	trans	-51.4	-35.3	170.5	-96.8	126.7	0	0	0	112.7	W145 N146	L142-W145 PolarHBondContact O-N 2.9Å; L142-N146 VanDerWaalsContact O-CB 3.31Å; L142-N146 WeakPolarHBondContact O-CB 3.4Å; L142-N146 VanDerWaalsContact O-CG 3.3Å; L142-N146 PolarHBondContact O-N 3.14Å
143	G	51.7	Low	52.9	Low	22 Å²	22	56 Å²	56	23%	0.227	30%	0.297	C	S	.	.	H	α-helix	trans	-66.7	-43.9	177.1	0	0	0	0	0	113.4	C141 T147	C141-G143 PolarHBondContact O-N 2.93Å; G143-T147 WeakPolarHBondContact O-CB 3.38Å; G143-T147 PolarHBondContact O-N 3.28Å; G143-T147 PolarHBondContact O-OG1 3.41Å
144	C	53.6	Low	52.4	Low	1 Å²	1	51.5 Å²	51.5	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-47.7	171.9	-77.6	0	0	0	0	110.1	M108 V138 C141 N146 T147 I148	M108-C144 PolarHBondContact SD-SG 3.07Å; V138-C144 HydrophobicContact CG1-CB 4.05Å; C141-C144 HydrophobicContact CB-CB 3.86Å; C141-C144 WeakPolarHBondContact O-CB 3.39Å; C141-C144 PolarHBondContact O-N 3.46Å; C141-C144 VanDerWaalsContact O-N 3.12Å; C141-C144 PolarHBondContact SG-N 3.33Å; C141-C144 VanDerWaalsContact SG-SG 3.65Å; C144-N146 PolarHBondContact O-N 2.97Å; C144-T147 PolarHBondContact O-N 3.09Å; C144-I148 HydrophobicContact CB-CD1 4.22Å; C144-I148 WeakPolarHBondContact O-CB 3.45Å; C144-I148 VanDerWaalsContact O-CD1 3.28Å; C144-I148 WeakPolarHBondContact O-CD1 3.05Å; C144-I148 WeakPolarHBondContact O-CG1 3.44Å; C144-I148 PolarHBondContact O-N 3.13Å
145	W	56.3	Low	51.7	Low	31 Å²	31	51.7 Å²	51.7	12%	0.117	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-46.2	-178	-163.6	-108.4	0	0	0	112.3	C141 L142 T147 I148 C149 M170 L174 L194	C141-W145 PolarHBondContact O-N 3.3Å; L142-W145 PolarHBondContact O-N 2.9Å; W145-T147 PolarHBondContact O-N 3.09Å; W145-I148 PolarHBondContact O-N 3.2Å; W145-C149 PolarHBondContact NE1-SG 3.48Å; W145-C149 WeakPolarHBondContact O-CB 3.28Å; W145-C149 PolarHBondContact O-N 2.77Å; W145-C149 PolarHBondContact O-SG 2.68Å; W145-C149 VanDerWaalsContact O-SG 3.38Å; W145-M170 HydrophobicContact CH2-CE 3.68Å; W145-M170 HydrophobicContact CZ2-CE 4.26Å; W145-M170 HydrophobicContact CZ3-CE 4.05Å; W145-L174 HydrophobicContact CH2-CD1 3.84Å; W145-L174 HydrophobicContact CH2-CD2 3.68Å; W145-L174 HydrophobicContact CH2-CG 4Å; W145-L174 HydrophobicContact CZ2-CD1 4.34Å; W145-L174 HydrophobicContact CZ2-CD2 4.4Å; W145-L174 HydrophobicContact CZ3-CD2 4.19Å; W145-L194 HydrophobicContact CD2-CD1 3.89Å; W145-L194 HydrophobicContact CD2-CG 4.23Å; W145-L194 HydrophobicContact CE3-CD1 3.89Å; W145-L194 HydrophobicContact CH2-CD1 3.79Å; W145-L194 HydrophobicContact CH2-CD2 3.88Å; W145-L194 HydrophobicContact CH2-CG 4.17Å; W145-L194 HydrophobicContact CZ2-CD1 3.75Å; W145-L194 HydrophobicContact CZ2-CD2 3.37Å; W145-L194 HydrophobicContact CZ2-CG 3.65Å; W145-L194 HydrophobicContact CZ3-CD1 3.83Å
146	N	55	Low	51.2	Low	78 Å²	78	53.5 Å²	53.5	42%	0.417	31%	0.312	S	S	.	.	H	α-helix	trans	-59.9	-48.4	175.9	-78.4	-15	0	0	0	111.1	L142 C144 I148 C149 I150	L142-N146 VanDerWaalsContact O-CB 3.31Å; L142-N146 WeakPolarHBondContact O-CB 3.4Å; L142-N146 VanDerWaalsContact O-CG 3.3Å; L142-N146 PolarHBondContact O-N 3.14Å; C144-N146 PolarHBondContact O-N 2.97Å; N146-I148 VanDerWaalsContact C-N 3.32Å; N146-I148 PolarHBondContact O-N 3.48Å; N146-C149 PolarHBondContact O-N 3.48Å; N146-I150 VanDerWaalsContact O-CD1 3.32Å; N146-I150 WeakPolarHBondContact O-CD1 3.28Å; N146-I150 WeakPolarHBondContact O-CG1 3.4Å; N146-I150 PolarHBondContact O-N 3.06Å
147	T	55.2	Low	51.1	Low	9 Å²	9	52.7 Å²	52.7	6%	0.055	32%	0.319	C	S	.	.	H	α-helix	trans	-64.9	-39.8	-178.4	-48.5	0	0	0	0	111.9	L111 A119 V123 G143 C144 W145 I150 C151	L111-T147 HydrophobicContact CD2-CG2 3.4Å; L111-T147 PolarHBondContact O-OG1 2.99Å; A119-T147 HydrophobicContact CB-CG2 4.41Å; V123-T147 HydrophobicContact CG2-CG2 4.08Å; G143-T147 WeakPolarHBondContact O-CB 3.38Å; G143-T147 PolarHBondContact O-N 3.28Å; G143-T147 PolarHBondContact O-OG1 3.41Å; C144-T147 PolarHBondContact O-N 3.09Å; W145-T147 PolarHBondContact O-N 3.09Å; T147-I150 PolarHBondContact O-N 3.38Å; T147-C151 WeakPolarHBondContact O-CB 2.99Å; T147-C151 PolarHBondContact O-N 2.78Å; T147-C151 PolarHBondContact O-SG 2.98Å
148	I	53.6	Low	51	Low	2 Å²	2	49.1 Å²	49.1	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-46.6	176.2	-69.9	168.7	0	0	0	110.6	V123 V138 C144 W145 N146 I150 C151 S152 M170	V123-I148 HydrophobicContact CB-CG1 4.39Å; V123-I148 HydrophobicContact CG1-CG1 3.76Å; V123-I148 HydrophobicContact CG2-CG1 3.85Å; V138-I148 HydrophobicContact CG1-CD1 4.03Å; C144-I148 HydrophobicContact CB-CD1 4.22Å; C144-I148 WeakPolarHBondContact O-CB 3.45Å; C144-I148 VanDerWaalsContact O-CD1 3.28Å; C144-I148 WeakPolarHBondContact O-CD1 3.05Å; C144-I148 WeakPolarHBondContact O-CG1 3.44Å; C144-I148 PolarHBondContact O-N 3.13Å; W145-I148 PolarHBondContact O-N 3.2Å; N146-I148 VanDerWaalsContact C-N 3.32Å; N146-I148 PolarHBondContact O-N 3.48Å; I148-I150 PolarHBondContact O-N 3.04Å; I148-C151 PolarHBondContact O-N 3.16Å; I148-S152 PolarHBondContact O-N 3.13Å; I148-M170 HydrophobicContact CB-CE 4.44Å; I148-M170 HydrophobicContact CG2-CE 3.14Å; I148-M170 HydrophobicContact CG2-CG 3.8Å; I148-M170 HydrophobicContact CG2-SD 3.05Å; I148-M170 WeakPolarHBondContact CG2-SD 3.36Å
149	C	52.9	Low	51.2	Low	14 Å²	14	52.3 Å²	52.3	10%	0.095	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-46.9	174.7	-79.4	0	0	0	0	110.9	W145 N146 C151 S152 H153	W145-C149 PolarHBondContact NE1-SG 3.48Å; W145-C149 WeakPolarHBondContact O-CB 3.28Å; W145-C149 PolarHBondContact O-N 2.77Å; W145-C149 PolarHBondContact O-SG 2.68Å; W145-C149 VanDerWaalsContact O-SG 3.38Å; N146-C149 PolarHBondContact O-N 3.48Å; C149-C151 VanDerWaalsContact C-N 3.31Å; C149-C151 PolarHBondContact O-N 2.91Å; C149-S152 PolarHBondContact O-N 2.68Å; C149-S152 VanDerWaalsContact O-N 3.17Å; C149-S152 PolarHBondContact O-OG 2.99Å; C149-H153 PolarHBondContact O-CD2 2.95Å; C149-H153 PolarHBondContact O-N 3.41Å
150	I	53.6	Low	51.6	Low	60 Å²	60	59.7 Å²	59.7	31%	0.308	35%	0.35	S	S	.	.	H	α-helix	trans	-67.7	-33.6	-179.2	-52.5	154.6	0	0	0	111	N146 T147 I148 H153 A155 Y156	N146-I150 VanDerWaalsContact O-CD1 3.32Å; N146-I150 WeakPolarHBondContact O-CD1 3.28Å; N146-I150 WeakPolarHBondContact O-CG1 3.4Å; N146-I150 PolarHBondContact O-N 3.06Å; T147-I150 PolarHBondContact O-N 3.38Å; I148-I150 PolarHBondContact O-N 3.04Å; I150-H153 PolarHBondContact O-N 3.17Å; I150-A155 HydrophobicContact CG2-CB 3.95Å; I150-Y156 HydrophobicContact CB-CD2 4.03Å; I150-Y156 HydrophobicContact CB-CE2 3.58Å; I150-Y156 HydrophobicContact CG2-CD2 3.48Å; I150-Y156 VanDerWaalsContact CG2-CD2 3.48Å; I150-Y156 HydrophobicContact CG2-CE2 3.02Å
151	C	50.1	Low	51.9	Low	4 Å²	4	56.1 Å²	56.1	3%	0.027	34%	0.344	C	S	.	.	H	α-helix	trans	-68.3	-32.3	173.3	-70.7	0	0	0	0	113.3	T147 I148 C149	T147-C151 WeakPolarHBondContact O-CB 2.99Å; T147-C151 PolarHBondContact O-N 2.78Å; T147-C151 PolarHBondContact O-SG 2.98Å; I148-C151 PolarHBondContact O-N 3.16Å; C149-C151 VanDerWaalsContact C-N 3.31Å; C149-C151 PolarHBondContact O-N 2.91Å
152	S	50.6	Low	52	Low	35 Å²	35	56.4 Å²	56.4	25%	0.245	35%	0.348	C	S	.	.	H	α-helix	trans	-74.3	-30	175.5	75.3	0	0	0	0	112.7	I148 C149	I148-S152 PolarHBondContact O-N 3.13Å; C149-S152 PolarHBondContact O-N 2.68Å; C149-S152 VanDerWaalsContact O-N 3.17Å; C149-S152 PolarHBondContact O-OG 2.99Å
153	H	52.5	Low	52.3	Low	102 Å²	102	51.6 Å²	51.6	47%	0.472	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	149.1	167.4	-71.1	-66.5	0	0	0	109.3	C149 I150 A155	C149-H153 PolarHBondContact O-CD2 2.95Å; C149-H153 PolarHBondContact O-N 3.41Å; I150-H153 PolarHBondContact O-N 3.17Å; H153-A155 PolarHBondContact O-N 3.41Å
154	A	49.7	Very low	52.7	Low	92 Å²	92	55.4 Å²	55.4	76%	0.76	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-61.6	12.4	-173.6	0	0	0	0	0	115.8
155	A	47.5	Very low	53.2	Low	71 Å²	71	59 Å²	59	59%	0.587	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-77.4	-21.6	-168.9	0	0	0	0	0	114.7	I150 H153	I150-A155 HydrophobicContact CG2-CB 3.95Å; H153-A155 PolarHBondContact O-N 3.41Å
156	Y	50.8	Low	53.3	Low	65 Å²	65	57.7 Å²	57.7	26%	0.255	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-116.2	34.1	-170.2	-79.4	-60.6	0	0	0	116.5	Q116 I150 C158	Q116-Y156 HydrophobicContact CG-CE1 4.14Å; I150-Y156 HydrophobicContact CB-CD2 4.03Å; I150-Y156 HydrophobicContact CB-CE2 3.58Å; I150-Y156 HydrophobicContact CG2-CD2 3.48Å; I150-Y156 VanDerWaalsContact CG2-CD2 3.48Å; I150-Y156 HydrophobicContact CG2-CE2 3.02Å; Y156-C158 PolarHBondContact O-N 3.28Å
157	G	47.2	Very low	53.7	Low	79 Å²	79	56.1 Å²	56.1	81%	0.814	35%	0.345	S	S	*	.			trans	58.1	11.7	173	0	0	0	0	0	115.2
158	C	50.3	Low	54	Low	14 Å²	14	60.3 Å²	60.3	10%	0.095	37%	0.367	C	S	.	.			trans	-68.5	128.9	-175.8	-175.2	0	0	0	0	108.7	L120 Y156 R160 Q163	L120-C158 VanDerWaalsContact CD1-SG 3.56Å; Y156-C158 PolarHBondContact O-N 3.28Å; C158-R160 PolarHBondContact O-N 3.13Å; C158-Q163 HydrophobicContact CB-CG 3.57Å; C158-Q163 VanDerWaalsContact SG-CG 3.51Å
159	P	53.7	Low	54.5	Low	85 Å²	85	63.5 Å²	63.5	55%	0.552	38%	0.379	S	S	*	.			trans	-55.1	133.1	175.9	-22.2	31	0	0	0	109.6	G161 A162 Q163	P159-G161 PolarHBondContact O-N 3.39Å; P159-A162 PolarHBondContact O-N 3.36Å; P159-Q163 PolarHBondContact O-N 2.88Å; P159-Q163 VanDerWaalsContact O-N 3.09Å
160	R	54.3	Low	55	Low	208 Å²	208	63.5 Å²	63.5	79%	0.785	38%	0.378	S	S	*	.	H	α-helix	trans	-47	-32.6	-178.5	-78.4	-176.9	175.9	-177.9	-1.2	114	C158 N164	C158-R160 PolarHBondContact O-N 3.13Å; R160-N164 VanDerWaalsContact O-CG 3.3Å; R160-N164 PolarHBondContact O-N 3.38Å; R160-N164 VanDerWaalsContact O-N 3.09Å
161	G	52.3	Low	55.4	Low	54 Å²	54	64.4 Å²	64.4	56%	0.557	38%	0.383	S	S	*	.	H	α-helix	trans	-65.7	-43.5	175.6	0	0	0	0	0	113.8	P159 N164 D165	P159-G161 PolarHBondContact O-N 3.39Å; G161-N164 PolarHBondContact O-N 3.34Å; G161-D165 PolarHBondContact O-N 3.47Å; G161-D165 VanDerWaalsContact O-N 3.09Å
162	A	52.7	Low	56	Low	32 Å²	32	69.1 Å²	69.1	26%	0.264	41%	0.406	S	S	.	.	H	α-helix	trans	-71.9	-33.8	177.1	0	0	0	0	0	111.7	P159 D165 I166	P159-A162 PolarHBondContact O-N 3.36Å; A162-D165 PolarHBondContact O-N 2.87Å; A162-I166 WeakPolarHBondContact O-CB 3.17Å; A162-I166 VanDerWaalsContact O-CG1 3.27Å; A162-I166 WeakPolarHBondContact O-CG1 3.26Å; A162-I166 PolarHBondContact O-N 2.91Å
163	Q	55.1	Low	56.5	Low	26 Å²	26	68.8 Å²	68.8	12%	0.121	40%	0.401	C	S	.	.	H	α-helix	trans	-59.3	-49.4	171.3	-67	-179.2	-39.3	0	0	111.1	C158 P159 D165 I166 T167	C158-Q163 HydrophobicContact CB-CG 3.57Å; C158-Q163 VanDerWaalsContact SG-CG 3.51Å; P159-Q163 PolarHBondContact O-N 2.88Å; P159-Q163 VanDerWaalsContact O-N 3.09Å; Q163-D165 VanDerWaalsContact C-N 3.34Å; Q163-D165 PolarHBondContact O-N 3.39Å; Q163-I166 PolarHBondContact O-N 2.88Å; Q163-T167 VanDerWaalsContact O-CB 3.3Å; Q163-T167 WeakPolarHBondContact O-CB 3.46Å; Q163-T167 PolarHBondContact O-N 3.02Å; Q163-T167 PolarHBondContact O-OG1 3.46Å
164	N	60.3	Low	56.9	Low	102 Å²	102	64.5 Å²	64.5	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-62	-40.6	178.4	-72.4	-13.4	0	0	0	112.2	R160 G161 N168	R160-N164 VanDerWaalsContact O-CG 3.3Å; R160-N164 PolarHBondContact O-N 3.38Å; R160-N164 VanDerWaalsContact O-N 3.09Å; G161-N164 PolarHBondContact O-N 3.34Å; N164-N168 WeakPolarHBondContact O-CB 3.38Å; N164-N168 PolarHBondContact O-N 3.5Å; N164-N168 PolarHBondContact O-ND2 2.81Å; N164-N168 VanDerWaalsContact O-ND2 3.13Å
165	D	62.8	Low	57.4	Low	76 Å²	76	65.4 Å²	65.4	41%	0.406	37%	0.373	S	S	.	.	H	α-helix	trans	-64.4	-47.6	177.6	-171.5	60.3	0	0	0	111.8	G161 A162 Q163 N168 R169	G161-D165 PolarHBondContact O-N 3.47Å; G161-D165 VanDerWaalsContact O-N 3.09Å; A162-D165 PolarHBondContact O-N 2.87Å; Q163-D165 VanDerWaalsContact C-N 3.34Å; Q163-D165 PolarHBondContact O-N 3.39Å; D165-N168 PolarHBondContact O-N 3.14Å; D165-R169 WeakPolarHBondContact O-CB 3.17Å; D165-R169 VanDerWaalsContact O-CG 3.3Å; D165-R169 WeakPolarHBondContact O-CG 3.4Å; D165-R169 PolarHBondContact O-N 3.39Å; D165-R169 WeakPolarHBondContact OD2-CD 3.25Å; D165-R169 IonicContact OD2-NH1 3.2Å
166	I	60.1	Low	58.3	Low	4 Å²	4	68.8 Å²	68.8	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-62.1	-48.9	178	-70.1	167.9	0	0	0	110.2	L120 V123 L124 A162 Q163 N168 R169 M170	L120-I166 HydrophobicContact CD1-CD1 3.21Å; L120-I166 HydrophobicContact CG-CD1 4.48Å; V123-I166 HydrophobicContact CG1-CG2 4.28Å; L124-I166 HydrophobicContact CD2-CD1 4.07Å; L124-I166 HydrophobicContact CD2-CG1 3.82Å; L124-I166 HydrophobicContact CG-CD1 4.36Å; A162-I166 WeakPolarHBondContact O-CB 3.17Å; A162-I166 VanDerWaalsContact O-CG1 3.27Å; A162-I166 WeakPolarHBondContact O-CG1 3.26Å; A162-I166 PolarHBondContact O-N 2.91Å; Q163-I166 PolarHBondContact O-N 2.88Å; I166-N168 VanDerWaalsContact C-N 3.34Å; I166-N168 PolarHBondContact O-N 3.1Å; I166-R169 PolarHBondContact O-N 3.38Å; I166-M170 HydrophobicContact CG2-CG 4.27Å; I166-M170 HydrophobicContact CG2-SD 3.83Å; I166-M170 WeakPolarHBondContact O-CB 3.38Å; I166-M170 WeakPolarHBondContact O-CG 3.36Å; I166-M170 PolarHBondContact O-N 3.34Å
167	T	61.5	Low	58.6	Low	45 Å²	45	69.7 Å²	69.7	28%	0.276	39%	0.386	S	S	.	.	H	α-helix	trans	-60.3	-42.8	177.6	-60.9	0	0	0	0	111.7	Q163 M170 L171	Q163-T167 VanDerWaalsContact O-CB 3.3Å; Q163-T167 WeakPolarHBondContact O-CB 3.46Å; Q163-T167 PolarHBondContact O-N 3.02Å; Q163-T167 PolarHBondContact O-OG1 3.46Å; T167-M170 PolarHBondContact O-N 3.3Å; T167-L171 HydrophobicContact CG2-CD1 3.99Å; T167-L171 HydrophobicContact CG2-CG 4.43Å; T167-L171 WeakPolarHBondContact O-CB 3.38Å; T167-L171 VanDerWaalsContact O-CG 3.25Å; T167-L171 WeakPolarHBondContact O-CG 3.32Å; T167-L171 PolarHBondContact O-N 3.38Å
168	N	63.2	Low	59.4	Low	96 Å²	96	69.8 Å²	69.8	51%	0.513	37%	0.367	S	S	.	.	H	α-helix	trans	-64.8	-45.7	177.6	-74.7	-23.3	0	0	0	111.8	N164 D165 I166 M170 L171 M172	N164-N168 WeakPolarHBondContact O-CB 3.38Å; N164-N168 PolarHBondContact O-N 3.5Å; N164-N168 PolarHBondContact O-ND2 2.81Å; N164-N168 VanDerWaalsContact O-ND2 3.13Å; D165-N168 PolarHBondContact O-N 3.14Å; I166-N168 VanDerWaalsContact C-N 3.34Å; I166-N168 PolarHBondContact O-N 3.1Å; N168-M170 VanDerWaalsContact C-N 3.32Å; N168-M170 PolarHBondContact O-N 2.86Å; N168-L171 PolarHBondContact O-N 3.27Å; N168-M172 WeakPolarHBondContact O-CG 3.32Å; N168-M172 PolarHBondContact O-N 2.79Å
169	R	63.9	Low	59.4	Low	70 Å²	70	70.1 Å²	70.1	26%	0.264	37%	0.368	S	S	.	.	H	α-helix	trans	-64.9	-38.1	178.2	-70	172.7	78	-178.9	5.2	111.6	V127 E131 D165 I166 M172 M173	V127-R169 HydrophobicContact CG1-CB 4.4Å; E131-R169 IonicContact OE1-CZ 2.71Å; E131-R169 IonicContact OE1-NE 3.66Å; E131-R169 PolarHBondContact OE1-NE 2.86Å; E131-R169 IonicContact OE1-NH2 2.71Å; E131-R169 PolarHBondContact OE1-NH2 3.3Å; E131-R169 IonicContact OE2-CZ 3.21Å; E131-R169 IonicContact OE2-NH2 3.16Å; E131-R169 PolarHBondContact OE2-NH2 3.48Å; D165-R169 WeakPolarHBondContact O-CB 3.17Å; D165-R169 VanDerWaalsContact O-CG 3.3Å; D165-R169 WeakPolarHBondContact O-CG 3.4Å; D165-R169 PolarHBondContact O-N 3.39Å; D165-R169 WeakPolarHBondContact OD2-CD 3.25Å; D165-R169 IonicContact OD2-NH1 3.2Å; I166-R169 PolarHBondContact O-N 3.38Å; R169-M172 PolarHBondContact O-N 3.2Å; R169-M173 WeakPolarHBondContact O-CG 3.09Å; R169-M173 PolarHBondContact O-N 3.12Å
170	M	62.4	Low	59.5	Low	14 Å²	14	69.1 Å²	69.1	7%	0.069	36%	0.357	C	S	.	.	H	α-helix	trans	-63	-47.1	171.8	-72.1	169.3	67.5	0	0	112.6	W145 I148 I166 T167 N168 M172 M173 L174	W145-M170 HydrophobicContact CH2-CE 3.68Å; W145-M170 HydrophobicContact CZ2-CE 4.26Å; W145-M170 HydrophobicContact CZ3-CE 4.05Å; I148-M170 HydrophobicContact CB-CE 4.44Å; I148-M170 HydrophobicContact CG2-CE 3.14Å; I148-M170 HydrophobicContact CG2-CG 3.8Å; I148-M170 HydrophobicContact CG2-SD 3.05Å; I148-M170 WeakPolarHBondContact CG2-SD 3.36Å; I166-M170 HydrophobicContact CG2-CG 4.27Å; I166-M170 HydrophobicContact CG2-SD 3.83Å; I166-M170 WeakPolarHBondContact O-CB 3.38Å; I166-M170 WeakPolarHBondContact O-CG 3.36Å; I166-M170 PolarHBondContact O-N 3.34Å; T167-M170 PolarHBondContact O-N 3.3Å; N168-M170 VanDerWaalsContact C-N 3.32Å; N168-M170 PolarHBondContact O-N 2.86Å; M170-M172 PolarHBondContact O-N 3.18Å; M170-M173 HydrophobicContact CG-CE 4.37Å; M170-M173 PolarHBondContact O-N 3.08Å; M170-L174 WeakPolarHBondContact O-CB 3.28Å; M170-L174 VanDerWaalsContact O-CG 3.32Å; M170-L174 WeakPolarHBondContact O-CG 3.39Å; M170-L174 PolarHBondContact O-N 3Å
171	L	61.4	Low	59.6	Low	78 Å²	78	62.7 Å²	62.7	41%	0.408	34%	0.342	S	S	.	.	H	α-helix	trans	-59.1	-40.9	177.8	-77	168	0	0	0	110.5	T167 N168 L174 L175	T167-L171 HydrophobicContact CG2-CD1 3.99Å; T167-L171 HydrophobicContact CG2-CG 4.43Å; T167-L171 WeakPolarHBondContact O-CB 3.38Å; T167-L171 VanDerWaalsContact O-CG 3.25Å; T167-L171 WeakPolarHBondContact O-CG 3.32Å; T167-L171 PolarHBondContact O-N 3.38Å; N168-L171 PolarHBondContact O-N 3.27Å; L171-L174 PolarHBondContact O-N 3.47Å; L171-L175 WeakPolarHBondContact O-CB 3.49Å; L171-L175 WeakPolarHBondContact O-CG 3.11Å; L171-L175 PolarHBondContact O-N 2.95Å
172	M	64	Low	59.8	Low	104 Å²	104	62.1 Å²	62.1	51%	0.512	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-46.7	174.2	-68.2	-58.4	-64	0	0	111.9	N168 R169 M170 L174 L175 E176	N168-M172 WeakPolarHBondContact O-CG 3.32Å; N168-M172 PolarHBondContact O-N 2.79Å; R169-M172 PolarHBondContact O-N 3.2Å; M170-M172 PolarHBondContact O-N 3.18Å; M172-L174 VanDerWaalsContact C-N 3.3Å; M172-L174 PolarHBondContact O-N 3.41Å; M172-L175 PolarHBondContact O-N 3.19Å; M172-E176 WeakPolarHBondContact O-CB 2.98Å; M172-E176 VanDerWaalsContact O-CG 3.29Å; M172-E176 WeakPolarHBondContact O-CG 3.31Å; M172-E176 PolarHBondContact O-N 3.41Å
173	M	61.6	Low	59.9	Low	28 Å²	28	68.9 Å²	68.9	14%	0.138	35%	0.353	C	S	.	.	H	α-helix	trans	-60.6	-39.1	176.1	-72.7	-170.8	-60.9	0	0	112.4	V127 A130 R169 M170 E176 N177	V127-M173 HydrophobicContact CB-CE 4.49Å; V127-M173 HydrophobicContact CG1-CE 4.08Å; V127-M173 HydrophobicContact CG1-SD 4.37Å; V127-M173 HydrophobicContact CG2-CE 4.06Å; A130-M173 HydrophobicContact CB-SD 3.85Å; R169-M173 WeakPolarHBondContact O-CG 3.09Å; R169-M173 PolarHBondContact O-N 3.12Å; M170-M173 HydrophobicContact CG-CE 4.37Å; M170-M173 PolarHBondContact O-N 3.08Å; M173-E176 PolarHBondContact O-N 3.38Å; M173-N177 PolarHBondContact O-N 2.83Å; M173-N177 PolarHBondContact O-ND2 2.85Å
174	L	59.9	Low	59.6	Low	12 Å²	12	69.2 Å²	69.2	6%	0.063	36%	0.358	C	S	.	.	H	α-helix	trans	-65.4	-45.7	176.1	-73.5	-178.4	0	0	0	111.8	W145 M170 L171 M172 E176 N177 D178 M179 P181 L194	W145-L174 HydrophobicContact CH2-CD1 3.84Å; W145-L174 HydrophobicContact CH2-CD2 3.68Å; W145-L174 HydrophobicContact CH2-CG 4Å; W145-L174 HydrophobicContact CZ2-CD1 4.34Å; W145-L174 HydrophobicContact CZ2-CD2 4.4Å; W145-L174 HydrophobicContact CZ3-CD2 4.19Å; M170-L174 WeakPolarHBondContact O-CB 3.28Å; M170-L174 VanDerWaalsContact O-CG 3.32Å; M170-L174 WeakPolarHBondContact O-CG 3.39Å; M170-L174 PolarHBondContact O-N 3Å; L171-L174 PolarHBondContact O-N 3.47Å; M172-L174 VanDerWaalsContact C-N 3.3Å; M172-L174 PolarHBondContact O-N 3.41Å; L174-E176 VanDerWaalsContact C-N 3.32Å; L174-E176 PolarHBondContact O-N 3.41Å; L174-N177 CarbonylContact O-C 3.6Å; L174-N177 PolarHBondContact O-N 3.36Å; L174-D178 PolarHBondContact O-N 2.89Å; L174-D178 VanDerWaalsContact O-N 3.16Å; L174-M179 CarbonylContact C-O 3.52Å; L174-M179 HydrophobicContact CB-CB 4.5Å; L174-M179 WeakPolarHBondContact CB-O 3.46Å; L174-M179 HydrophobicContact CD2-CB 3.67Å; L174-M179 PolarHBondContact O-N 2.96Å; L174-P181 HydrophobicContact CD1-CG 3.77Å; L174-L194 HydrophobicContact CD1-CD2 4.05Å; L174-L194 HydrophobicContact CD2-CD1 3.56Å; L174-L194 HydrophobicContact CD2-CD2 3.42Å; L174-L194 VanDerWaalsContact CD2-CD2 3.42Å; L174-L194 HydrophobicContact CD2-CG 4.11Å; L174-L194 HydrophobicContact CG-CD2 4.39Å
175	L	61.4	Low	58.8	Low	111 Å²	111	70 Å²	70	58%	0.581	37%	0.372	S	S	*	.	H	α-helix	trans	-64.7	-36.2	177.1	-70.8	170.7	0	0	0	112	L171 M172 N177	L171-L175 WeakPolarHBondContact O-CB 3.49Å; L171-L175 WeakPolarHBondContact O-CG 3.11Å; L171-L175 PolarHBondContact O-N 2.95Å; M172-L175 PolarHBondContact O-N 3.19Å; L175-N177 VanDerWaalsContact C-N 3.3Å; L175-N177 PolarHBondContact O-N 2.79Å
176	E	64.8	Low	57.9	Low	142 Å²	142	73.3 Å²	73.3	66%	0.664	38%	0.383	S	S	*	.	H	α-helix	trans	-70.5	-23.9	177.6	-77	178.5	-176.6	0	0	113.5	M172 M173 L174	M172-E176 WeakPolarHBondContact O-CB 2.98Å; M172-E176 VanDerWaalsContact O-CG 3.29Å; M172-E176 WeakPolarHBondContact O-CG 3.31Å; M172-E176 PolarHBondContact O-N 3.41Å; M173-E176 PolarHBondContact O-N 3.38Å; L174-E176 VanDerWaalsContact C-N 3.32Å; L174-E176 PolarHBondContact O-N 3.41Å
177	N	58.1	Low	57	Low	84 Å²	84	81.8 Å²	81.8	45%	0.449	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	13.9	178.9	-65.2	-81.1	0	0	0	113.3	E139 M173 L174 L175 M179	E139-N177 WeakPolarHBondContact OE1-CB 3.47Å; M173-N177 PolarHBondContact O-N 2.83Å; M173-N177 PolarHBondContact O-ND2 2.85Å; L174-N177 CarbonylContact O-C 3.6Å; L174-N177 PolarHBondContact O-N 3.36Å; L175-N177 VanDerWaalsContact C-N 3.3Å; L175-N177 PolarHBondContact O-N 2.79Å; N177-M179 VanDerWaalsContact C-N 3.25Å; N177-M179 HydrophobicContact CB-CG 4.26Å; N177-M179 PolarHBondContact O-N 3.14Å
178	D	63.1	Low	55.9	Low	80 Å²	80	85.5 Å²	85.5	43%	0.428	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	42	-177.1	-76.9	-46.8	0	0	0	113.1	L174 R196 R197	L174-D178 PolarHBondContact O-N 2.89Å; L174-D178 VanDerWaalsContact O-N 3.16Å; D178-R196 CarbonylContact O-C 3.58Å; D178-R196 WeakPolarHBondContact O-CA 3.31Å; D178-R197 HydrophobicContact CB-CB 4.14Å; D178-R197 WeakPolarHBondContact O-CB 3.46Å; D178-R197 PolarHBondContact O-N 3.05Å
179	M	51.1	Low	54.8	Low	21 Å²	21	83 Å²	83	10%	0.103	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.9	177.8	-67.6	-72.2	-93.9	0	0	110.1	E139 L174 N177 L194 R196	E139-M179 HydrophobicContact CB-CE 4.34Å; E139-M179 HydrophobicContact CG-CE 4.38Å; E139-M179 WeakPolarHBondContact OE1-CG 3.36Å; L174-M179 CarbonylContact C-O 3.52Å; L174-M179 HydrophobicContact CB-CB 4.5Å; L174-M179 WeakPolarHBondContact CB-O 3.46Å; L174-M179 HydrophobicContact CD2-CB 3.67Å; L174-M179 PolarHBondContact O-N 2.96Å; N177-M179 VanDerWaalsContact C-N 3.25Å; N177-M179 HydrophobicContact CB-CG 4.26Å; N177-M179 PolarHBondContact O-N 3.14Å; M179-L194 HydrophobicContact CE-CB 3.44Å; M179-L194 VanDerWaalsContact CE-CB 3.44Å; M179-L194 HydrophobicContact CE-CD1 3.95Å; M179-L194 HydrophobicContact CE-CG 4.34Å; M179-L194 HydrophobicContact SD-CB 4.5Å; M179-R196 HydrophobicContact SD-CB 4.29Å; M179-R196 HydrophobicContact SD-CG 3.54Å; M179-R196 VanDerWaalsContact SD-CG 3.54Å
180	I	55.4	Low	53.8	Low	65 Å²	65	88.8 Å²	88.8	33%	0.333	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.8	177.8	-41.2	178.4	0	0	0	109.5	S182 I195 R197 V200	I180-S182 PolarHBondContact O-N 2.74Å; I180-I195 PolarHBondContact N-O 3.18Å; I180-I195 PolarHBondContact O-N 3.16Å; I180-R197 HydrophobicContact CD1-CB 4.07Å; I180-R197 HydrophobicContact CD1-CG 3.9Å; I180-R197 HydrophobicContact CG1-CB 4.16Å; I180-R197 HydrophobicContact CG1-CG 4.44Å; I180-V200 HydrophobicContact CD1-CG2 4.33Å
181	P	55.6	Low	52.9	Low	73 Å²	73	92.5 Å²	92.5	47%	0.474	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	121.2	169.5	-14.3	27.4	0	0	0	110.3	L174	L174-P181 HydrophobicContact CD1-CG 3.77Å
182	S	56.8	Low	52.1	Low	42 Å²	42	90.2 Å²	90.2	29%	0.294	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.7	169.5	-174.5	0	0	0	0	110.3	I180 Y193 I195	I180-S182 PolarHBondContact O-N 2.74Å; S182-Y193 PolarHBondContact N-O 2.99Å; S182-Y193 PolarHBondContact O-N 3.07Å; S182-I195 VanDerWaalsContact OG-CD1 3.26Å; S182-I195 WeakPolarHBondContact OG-CD1 3.37Å
183	K	55.4	Low	51.4	Low	174 Å²	174	89.9 Å²	89.9	76%	0.757	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	116	175.8	-70	-177	179.5	178.6	0	108.8
184	S	49.5	Very low	50.9	Low	32 Å²	32	90.3 Å²	90.3	22%	0.224	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	109	164.3	156.4	0	0	0	0	108.2	K186	S184-K186 VanDerWaalsContact C-N 3.31Å; S184-K186 PolarHBondContact O-N 3.14Å; S184-K186 VanDerWaalsContact O-N 3.14Å
185	S	43.8	Very low	50.4	Low	120 Å²	120	92.2 Å²	92.2	84%	0.839	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	84	165	63.7	0	0	0	0	108.4
186	K	43.1	Very low	50.1	Low	145 Å²	145	94 Å²	94	63%	0.63	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	138.7	160.8	-77.4	-176.7	179.3	176.1	0	108.3	S184 S188 G189	S184-K186 VanDerWaalsContact C-N 3.31Å; S184-K186 PolarHBondContact O-N 3.14Å; S184-K186 VanDerWaalsContact O-N 3.14Å; K186-S188 PolarHBondContact O-N 2.52Å; K186-G189 PolarHBondContact O-N 2.83Å
187	D	40.9	Very low	49.8	Very low	181 Å²	181	94.2 Å²	94.2	97%	0.968	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	20.1	-165.8	-72.5	-43.9	0	0	0	117.1
188	S	38	Very low	50.3	Low	124 Å²	124	96.9 Å²	96.9	87%	0.867	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.3	4.2	-177.3	57.3	0	0	0	0	116.4	K186	K186-S188 PolarHBondContact O-N 2.52Å
189	G	40.6	Very low	50.3	Low	44 Å²	44	98.7 Å²	98.7	45%	0.454	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171.4	150.7	175.6	0	0	0	0	0	113.7	K186 E191	K186-G189 PolarHBondContact O-N 2.83Å; G189-E191 PolarHBondContact O-N 3.31Å; G189-E191 VanDerWaalsContact O-N 3.07Å
190	F	41.9	Very low	50.7	Low	190 Å²	190	104.6 Å²	104.6	83%	0.833	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	97.6	170.5	-80	-87	0	0	0	109.3
191	E	43.9	Very low	50.4	Low	93 Å²	93	106.6 Å²	106.6	44%	0.435	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.9	114	165.5	-69.6	-178.6	149.9	0	0	109	G189 Y193	G189-E191 PolarHBondContact O-N 3.31Å; G189-E191 VanDerWaalsContact O-N 3.07Å; E191-Y193 HydrophobicContact CB-CD2 4.1Å; E191-Y193 HydrophobicContact CB-CE2 3.35Å; E191-Y193 HydrophobicContact CG-CE2 4.34Å; E191-Y193 WeakPolarHBondContact OE2-CE2 3.46Å; E191-Y193 PolarHBondContact OE2-OH 2.98Å
192	C	46	Very low	50.1	Low	30 Å²	30	108.4 Å²	108.4	20%	0.203	56%	0.564	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.2	115.4	171.1	-71.2	0	0	0	0	108.7
193	Y	49	Very low	49.8	Very low	96 Å²	96	112.1 Å²	112.1	38%	0.376	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.9	151.2	173.3	-64.1	-84	0	0	0	109.6	S182 E191	S182-Y193 PolarHBondContact N-O 2.99Å; S182-Y193 PolarHBondContact O-N 3.07Å; E191-Y193 HydrophobicContact CB-CD2 4.1Å; E191-Y193 HydrophobicContact CB-CE2 3.35Å; E191-Y193 HydrophobicContact CG-CE2 4.34Å; E191-Y193 WeakPolarHBondContact OE2-CE2 3.46Å; E191-Y193 PolarHBondContact OE2-OH 2.98Å
194	L	50.5	Low	49.4	Very low	37 Å²	37	108.4 Å²	108.4	19%	0.194	57%	0.569	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.8	131.9	166.4	-67.3	177.4	0	0	0	108.7	W145 L174 M179	W145-L194 HydrophobicContact CD2-CD1 3.89Å; W145-L194 HydrophobicContact CD2-CG 4.23Å; W145-L194 HydrophobicContact CE3-CD1 3.89Å; W145-L194 HydrophobicContact CH2-CD1 3.79Å; W145-L194 HydrophobicContact CH2-CD2 3.88Å; W145-L194 HydrophobicContact CH2-CG 4.17Å; W145-L194 HydrophobicContact CZ2-CD1 3.75Å; W145-L194 HydrophobicContact CZ2-CD2 3.37Å; W145-L194 HydrophobicContact CZ2-CG 3.65Å; W145-L194 HydrophobicContact CZ3-CD1 3.83Å; L174-L194 HydrophobicContact CD1-CD2 4.05Å; L174-L194 HydrophobicContact CD2-CD1 3.56Å; L174-L194 HydrophobicContact CD2-CD2 3.42Å; L174-L194 VanDerWaalsContact CD2-CD2 3.42Å; L174-L194 HydrophobicContact CD2-CG 4.11Å; L174-L194 HydrophobicContact CG-CD2 4.39Å; M179-L194 HydrophobicContact CE-CB 3.44Å; M179-L194 VanDerWaalsContact CE-CB 3.44Å; M179-L194 HydrophobicContact CE-CD1 3.95Å; M179-L194 HydrophobicContact CE-CG 4.34Å; M179-L194 HydrophobicContact SD-CB 4.5Å
195	I	48.8	Very low	49.4	Very low	52 Å²	52	113.2 Å²	113.2	27%	0.267	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.5	137.7	173.3	-54.8	-178.3	0	0	0	106.4	I180 S182 D199 V200	I180-I195 PolarHBondContact N-O 3.18Å; I180-I195 PolarHBondContact O-N 3.16Å; S182-I195 VanDerWaalsContact OG-CD1 3.26Å; S182-I195 WeakPolarHBondContact OG-CD1 3.37Å; I195-D199 HydrophobicContact CG2-CB 3.55Å; I195-V200 HydrophobicContact CB-CG2 3.99Å; I195-V200 HydrophobicContact CG2-CG2 3.59Å
196	R	55.4	Low	49.8	Very low	150 Å²	150	112.7 Å²	112.7	57%	0.566	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-61.9	143.2	169.4	-72.9	-178.6	168.6	-172.2	-3.5	108.3	D178 M179 D198 D199	D178-R196 CarbonylContact O-C 3.58Å; D178-R196 WeakPolarHBondContact O-CA 3.31Å; M179-R196 HydrophobicContact SD-CB 4.29Å; M179-R196 HydrophobicContact SD-CG 3.54Å; M179-R196 VanDerWaalsContact SD-CG 3.54Å; R196-D198 PolarHBondContact O-N 2.74Å; R196-D198 VanDerWaalsContact O-N 3.08Å; R196-D199 HydrophobicContact CB-CB 4.29Å; R196-D199 WeakPolarHBondContact CB-OD2 3.47Å; R196-D199 WeakPolarHBondContact O-CA 3.29Å; R196-D199 WeakPolarHBondContact O-CB 3.49Å; R196-D199 PolarHBondContact O-N 3.44Å
197	R	59	Low	50.3	Low	146 Å²	146	110.4 Å²	110.4	55%	0.551	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-56.2	-28.7	178.1	-173.9	170	-162.7	175.1	3.8	112.6	D178 I180 D199	D178-R197 HydrophobicContact CB-CB 4.14Å; D178-R197 WeakPolarHBondContact O-CB 3.46Å; D178-R197 PolarHBondContact O-N 3.05Å; I180-R197 HydrophobicContact CD1-CB 4.07Å; I180-R197 HydrophobicContact CD1-CG 3.9Å; I180-R197 HydrophobicContact CG1-CB 4.16Å; I180-R197 HydrophobicContact CG1-CG 4.44Å; R197-D199 VanDerWaalsContact C-N 3.34Å
198	D	68.8	Low	51	Low	140 Å²	140	105 Å²	105	75%	0.749	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-78.4	-14.5	176	-61.9	-25.9	0	0	0	114	R196	R196-D198 PolarHBondContact O-N 2.74Å; R196-D198 VanDerWaalsContact O-N 3.08Å
199	D	61.7	Low	52.1	Low	118 Å²	118	103.4 Å²	103.4	63%	0.631	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-98.2	3.2	179.5	-65.4	-29.8	0	0	0	112.4	I195 R196 R197	I195-D199 HydrophobicContact CG2-CB 3.55Å; R196-D199 HydrophobicContact CB-CB 4.29Å; R196-D199 WeakPolarHBondContact CB-OD2 3.47Å; R196-D199 WeakPolarHBondContact O-CA 3.29Å; R196-D199 WeakPolarHBondContact O-CB 3.49Å; R196-D199 PolarHBondContact O-N 3.44Å; R197-D199 VanDerWaalsContact C-N 3.34Å
200	V	59.5	Low	53.1	Low	145 Å²	145	108.8 Å²	108.8	88%	0.879	52%	0.517	S	S	*	.			trans	-101.9	0	176.2	-179.3	0	0	0	0	110.5	I180 I195	I180-V200 HydrophobicContact CD1-CG2 4.33Å; I195-V200 HydrophobicContact CB-CG2 3.99Å; I195-V200 HydrophobicContact CG2-CG2 3.59Å

Retrieved 200 of 200 residues in 54.9 ms (Link to these results)

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