A0A087Y0L2_POEFO Loading...

Peroxisomal membrane protein 2

AlphaFold DB , UniProt , Accession A0A087Y0L2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 194 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	47.2	Very low	232 Å²	232	140.5 Å²	140.5	100%	1.143	76%	0.764	S	S	*	*				0	119.9	0	-65.3	-179.9	177	0	0	108	V3	M1-V3 PolarHBondContact O-N 3.2Å
2	P	36.5	Very low	49.1	Very low	124 Å²	124	136.4 Å²	136.4	81%	0.805	75%	0.753	S	S	*	*			trans	-72.8	121.8	178.3	29.2	-29.5	0	0	0	108.8	Q4	P2-Q4 PolarHBondContact O-N 3.21Å
3	V	44	Very low	50.5	Low	141 Å²	141	135.7 Å²	135.7	86%	0.855	74%	0.738	S	S	*	*			trans	-71.1	98	175.8	-176.9	0	0	0	0	107.5	M1 S5	M1-V3 PolarHBondContact O-N 3.2Å; V3-S5 PolarHBondContact O-N 3.13Å; V3-S5 VanDerWaalsContact O-N 3.14Å
4	Q	39.8	Very low	51.4	Low	179 Å²	179	136.4 Å²	136.4	84%	0.836	73%	0.733	S	S	*	*			trans	-61.7	110.1	167.2	-82.6	173	-22.4	0	0	108.2	P2 L6	P2-Q4 PolarHBondContact O-N 3.21Å; Q4-L6 PolarHBondContact O-N 3.2Å
5	S	46	Very low	52	Low	112 Å²	112	132.9 Å²	132.9	78%	0.783	71%	0.709	S	S	*	*			trans	-70.4	98.7	171.6	52.9	0	0	0	0	108.8	V3	V3-S5 PolarHBondContact O-N 3.13Å; V3-S5 VanDerWaalsContact O-N 3.14Å
6	L	45.7	Very low	52.9	Low	149 Å²	149	133.8 Å²	133.8	78%	0.78	70%	0.7	S	S	*	*			trans	-55.4	130	169.2	-74.3	162.4	0	0	0	109.3	Q4 V8	Q4-L6 PolarHBondContact O-N 3.2Å; L6-V8 PolarHBondContact O-N 3.28Å
7	P	47.3	Very low	53.7	Low	116 Å²	116	131.2 Å²	131.2	75%	0.753	69%	0.686	S	S	*	*			trans	-71.5	102.5	169.5	28.6	-28.1	0	0	0	107.1	R9	P7-R9 PolarHBondContact O-N 3.16Å
8	V	52.3	Low	54.3	Low	95 Å²	95	126.8 Å²	126.8	58%	0.576	66%	0.663	S	S	*	*			trans	-69.6	83.9	168.4	-178.7	0	0	0	0	107.2	L6 D10	L6-V8 PolarHBondContact O-N 3.28Å; V8-D10 PolarHBondContact O-N 3.11Å
9	R	57.2	Low	54.6	Low	224 Å²	224	123.9 Å²	123.9	85%	0.845	65%	0.646	S	S	*	*			trans	-73	82.3	169.6	177.4	178.9	160.9	-178	-4.8	106.1	P7	P7-R9 PolarHBondContact O-N 3.16Å
10	D	56.7	Low	54.9	Low	155 Å²	155	123.8 Å²	123.8	83%	0.829	64%	0.642	S	S	*	*			trans	160.8	76.1	153.2	-77	-20	0	0	0	110.6	V8	V8-D10 PolarHBondContact O-N 3.11Å
11	G	56.8	Low	55	Low	19 Å²	19	120.7 Å²	120.7	20%	0.196	62%	0.622	C	S	.	*			trans	-121.4	139.2	172.2	0	0	0	0	0	111.5	R16	G11-R16 PolarHBondContact O-NE 3.42Å
12	S	69.8	Low	55.9	Low	91 Å²	91	112.8 Å²	112.8	64%	0.636	58%	0.584	S	S	*	*			trans	-46.3	152.2	173.3	-44.6	0	0	0	0	111.4	H14 F15 R16	S12-H14 PolarHBondContact O-N 3.04Å; S12-F15 WeakPolarHBondContact O-CA 3.28Å; S12-F15 VanDerWaalsContact O-CB 3.29Å; S12-F15 WeakPolarHBondContact O-CB 3.41Å; S12-F15 PolarHBondContact O-N 3.21Å; S12-R16 PolarHBondContact O-N 3.34Å; S12-R16 VanDerWaalsContact O-N 3.13Å
13	F	66.6	Low	57	Low	127 Å²	127	112 Å²	112	56%	0.557	57%	0.572	S	S	*	*	H	α-helix	trans	-47.4	-40.8	-177.3	176.6	-106.3	0	0	0	113.6	F15 R16 L17	F13-F15 PolarHBondContact O-N 3.45Å; F13-R16 PolarHBondContact O-N 2.99Å; F13-L17 HydrophobicContact CD1-CD1 3.8Å; F13-L17 HydrophobicContact CE1-CD1 3.31Å; F13-L17 HydrophobicContact CE1-CG 4.25Å; F13-L17 HydrophobicContact CE2-CD1 4.42Å; F13-L17 HydrophobicContact CZ-CD1 3.67Å; F13-L17 HydrophobicContact CZ-CG 4.22Å; F13-L17 PolarHBondContact O-N 2.69Å
14	H	63	Low	57.3	Low	145 Å²	145	109.2 Å²	109.2	67%	0.671	55%	0.552	S	S	*	*	H	α-helix	trans	-63.9	-35.4	175.1	-57.3	-70.1	0	0	0	114	S12 L18	S12-H14 PolarHBondContact O-N 3.04Å; H14-L18 WeakPolarHBondContact O-CB 3.49Å; H14-L18 PolarHBondContact O-N 2.93Å
15	F	61.8	Low	58.1	Low	85 Å²	85	102.3 Å²	102.3	37%	0.373	52%	0.521	S	S	.	.	H	α-helix	trans	-70.2	-38.4	177	-171.4	-96	0	0	0	111.4	S12 F13 L18 Q19	S12-F15 WeakPolarHBondContact O-CA 3.28Å; S12-F15 VanDerWaalsContact O-CB 3.29Å; S12-F15 WeakPolarHBondContact O-CB 3.41Å; S12-F15 PolarHBondContact O-N 3.21Å; F13-F15 PolarHBondContact O-N 3.45Å; F15-L18 PolarHBondContact O-N 3Å; F15-Q19 HydrophobicContact CD1-CG 4.36Å; F15-Q19 HydrophobicContact CE1-CG 4.03Å; F15-Q19 HydrophobicContact CZ-CG 4.48Å; F15-Q19 WeakPolarHBondContact O-CB 3.33Å; F15-Q19 PolarHBondContact O-N 3.38Å
16	R	65	Low	58.3	Low	147 Å²	147	105.9 Å²	105.9	56%	0.555	52%	0.522	S	S	*	.	H	α-helix	trans	-64.8	-44.1	172.9	-74.5	-175.4	-81.1	159.7	-2.8	111.9	G11 S12 F13 L18 Q19 Q20	G11-R16 PolarHBondContact O-NE 3.42Å; S12-R16 PolarHBondContact O-N 3.34Å; S12-R16 VanDerWaalsContact O-N 3.13Å; F13-R16 PolarHBondContact O-N 2.99Å; R16-L18 VanDerWaalsContact C-N 3.34Å; R16-L18 PolarHBondContact O-N 3.37Å; R16-Q19 PolarHBondContact O-N 3.05Å; R16-Q20 VanDerWaalsContact O-CB 3.3Å; R16-Q20 WeakPolarHBondContact O-CB 3.15Å; R16-Q20 PolarHBondContact O-N 3.36Å
17	L	67.1	Low	58	Low	89 Å²	89	105.7 Å²	105.7	47%	0.466	52%	0.515	S	S	.	.	H	α-helix	trans	-60	-43.1	172.7	-80.7	170.5	0	0	0	112.2	F13 Q20 Y21	F13-L17 HydrophobicContact CD1-CD1 3.8Å; F13-L17 HydrophobicContact CE1-CD1 3.31Å; F13-L17 HydrophobicContact CE1-CG 4.25Å; F13-L17 HydrophobicContact CE2-CD1 4.42Å; F13-L17 HydrophobicContact CZ-CD1 3.67Å; F13-L17 HydrophobicContact CZ-CG 4.22Å; F13-L17 PolarHBondContact O-N 2.69Å; L17-Q20 PolarHBondContact O-N 2.93Å; L17-Y21 WeakPolarHBondContact O-CB 3.35Å; L17-Y21 PolarHBondContact O-N 2.69Å
18	L	64.5	Low	57.9	Low	52 Å²	52	106.6 Å²	106.6	27%	0.272	50%	0.504	S	S	.	.	H	α-helix	trans	-62.7	-46	176.6	-168.4	89.5	0	0	0	111.4	H14 F15 R16 Y21 L22	H14-L18 WeakPolarHBondContact O-CB 3.49Å; H14-L18 PolarHBondContact O-N 2.93Å; F15-L18 PolarHBondContact O-N 3Å; R16-L18 VanDerWaalsContact C-N 3.34Å; R16-L18 PolarHBondContact O-N 3.37Å; L18-Y21 WeakPolarHBondContact O-CB 3.35Å; L18-Y21 PolarHBondContact O-N 3.33Å; L18-L22 HydrophobicContact CD2-CD1 4.44Å; L18-L22 HydrophobicContact CG-CD1 4.37Å; L18-L22 WeakPolarHBondContact O-CB 3.28Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 2.89Å
19	Q	60.6	Low	57.9	Low	73 Å²	73	104.1 Å²	104.1	34%	0.341	49%	0.49	S	S	.	.	H	α-helix	trans	-62.4	-43.1	176.2	-87.7	-173.8	-36.5	0	0	111.9	F15 R16 Y21 L22 I23	F15-Q19 HydrophobicContact CD1-CG 4.36Å; F15-Q19 HydrophobicContact CE1-CG 4.03Å; F15-Q19 HydrophobicContact CZ-CG 4.48Å; F15-Q19 WeakPolarHBondContact O-CB 3.33Å; F15-Q19 PolarHBondContact O-N 3.38Å; R16-Q19 PolarHBondContact O-N 3.05Å; Q19-Y21 VanDerWaalsContact C-N 3.34Å; Q19-L22 PolarHBondContact O-N 3.19Å; Q19-I23 WeakPolarHBondContact O-CB 3.38Å; Q19-I23 VanDerWaalsContact O-CG1 3.23Å; Q19-I23 WeakPolarHBondContact O-CG1 3.23Å; Q19-I23 PolarHBondContact O-N 2.93Å
20	Q	59.2	Low	57.5	Low	121 Å²	121	96.9 Å²	96.9	57%	0.565	47%	0.468	S	S	*	.	H	α-helix	trans	-66.6	-39.4	179.5	-157.7	154.1	1.7	0	0	110.9	R16 L17 I23 L24	R16-Q20 VanDerWaalsContact O-CB 3.3Å; R16-Q20 WeakPolarHBondContact O-CB 3.15Å; R16-Q20 PolarHBondContact O-N 3.36Å; L17-Q20 PolarHBondContact O-N 2.93Å; Q20-I23 PolarHBondContact O-N 3.46Å; Q20-L24 HydrophobicContact CG-CD1 4.07Å; Q20-L24 WeakPolarHBondContact O-CB 3.19Å; Q20-L24 WeakPolarHBondContact O-CD1 3.5Å; Q20-L24 PolarHBondContact O-N 2.79Å
21	Y	57.7	Low	57.2	Low	58 Å²	58	94.7 Å²	94.7	23%	0.227	46%	0.455	C	S	.	.	H	α-helix	trans	-59.6	-45.4	169.3	175.7	-100	0	0	0	112.2	L17 L18 Q19 I23 L24 L25 T32 T36 V175	L17-Y21 WeakPolarHBondContact O-CB 3.35Å; L17-Y21 PolarHBondContact O-N 2.69Å; L18-Y21 WeakPolarHBondContact O-CB 3.35Å; L18-Y21 PolarHBondContact O-N 3.33Å; Q19-Y21 VanDerWaalsContact C-N 3.34Å; Y21-I23 VanDerWaalsContact C-N 3.34Å; Y21-I23 PolarHBondContact O-N 3.29Å; Y21-L24 PolarHBondContact O-N 3.09Å; Y21-L25 HydrophobicContact CE1-CD1 4.47Å; Y21-L25 VanDerWaalsContact O-CB 3.25Å; Y21-L25 WeakPolarHBondContact O-CB 3.47Å; Y21-L25 PolarHBondContact O-N 2.94Å; Y21-T32 HydrophobicContact CD2-CG2 4.09Å; Y21-T32 HydrophobicContact CE2-CG2 3.88Å; Y21-T36 HydrophobicContact CE2-CG2 4.37Å; Y21-T36 WeakPolarHBondContact CE2-OG1 3.42Å; Y21-V175 HydrophobicContact CE1-CG1 4.12Å
22	L	56.3	Low	57.2	Low	67 Å²	67	94.4 Å²	94.4	35%	0.351	45%	0.45	S	S	.	.	H	α-helix	trans	-64.8	-36.6	177.6	-70.8	170.7	0	0	0	112.4	L18 Q19 L25 K26	L18-L22 HydrophobicContact CD2-CD1 4.44Å; L18-L22 HydrophobicContact CG-CD1 4.37Å; L18-L22 WeakPolarHBondContact O-CB 3.28Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 2.89Å; Q19-L22 PolarHBondContact O-N 3.19Å; L22-L25 PolarHBondContact O-N 3.38Å; L22-K26 WeakPolarHBondContact O-CB 3.37Å; L22-K26 PolarHBondContact O-N 3.02Å
23	I	58.8	Low	56.8	Low	106 Å²	106	94.7 Å²	94.7	54%	0.544	44%	0.44	S	S	.	.	H	α-helix	trans	-67.5	-45	174.5	-68.6	163.2	0	0	0	110.3	Q19 Q20 Y21 L25 K26 K27	Q19-I23 WeakPolarHBondContact O-CB 3.38Å; Q19-I23 VanDerWaalsContact O-CG1 3.23Å; Q19-I23 WeakPolarHBondContact O-CG1 3.23Å; Q19-I23 PolarHBondContact O-N 2.93Å; Q20-I23 PolarHBondContact O-N 3.46Å; Y21-I23 VanDerWaalsContact C-N 3.34Å; Y21-I23 PolarHBondContact O-N 3.29Å; I23-L25 VanDerWaalsContact C-N 3.34Å; I23-K26 PolarHBondContact O-N 3.48Å; I23-K27 VanDerWaalsContact O-CB 3.27Å; I23-K27 WeakPolarHBondContact O-CB 3.3Å; I23-K27 PolarHBondContact O-N 3.48Å
24	L	52.3	Low	56.3	Low	83 Å²	83	89.2 Å²	89.2	44%	0.435	42%	0.417	S	S	.	.	H	α-helix	trans	-63.6	-39.9	174.9	-92.9	78.6	0	0	0	111.5	Q20 Y21 K26 K27 Y28 T32	Q20-L24 HydrophobicContact CG-CD1 4.07Å; Q20-L24 WeakPolarHBondContact O-CB 3.19Å; Q20-L24 WeakPolarHBondContact O-CD1 3.5Å; Q20-L24 PolarHBondContact O-N 2.79Å; Y21-L24 PolarHBondContact O-N 3.09Å; L24-K26 PolarHBondContact O-N 3.45Å; L24-K27 PolarHBondContact O-N 3.14Å; L24-Y28 CarbonylContact O-C 3.59Å; L24-Y28 WeakPolarHBondContact O-CA 3.29Å; L24-Y28 PolarHBondContact O-N 3.27Å; L24-T32 VanDerWaalsContact C-OG1 3.3Å; L24-T32 HydrophobicContact CB-CG2 3.92Å; L24-T32 PolarHBondContact O-OG1 2.93Å
25	L	54.7	Low	56.3	Low	34 Å²	34	86 Å²	86	18%	0.178	40%	0.404	C	S	.	.	H	α-helix	trans	-61.7	-34.3	175.8	-164	79	0	0	0	111.8	Y21 L22 I23 P29 T32 K33	Y21-L25 HydrophobicContact CE1-CD1 4.47Å; Y21-L25 VanDerWaalsContact O-CB 3.25Å; Y21-L25 WeakPolarHBondContact O-CB 3.47Å; Y21-L25 PolarHBondContact O-N 2.94Å; L22-L25 PolarHBondContact O-N 3.38Å; I23-L25 VanDerWaalsContact C-N 3.34Å; L25-P29 WeakPolarHBondContact O-CA 3.34Å; L25-P29 WeakPolarHBondContact O-CB 3.42Å; L25-T32 HydrophobicContact CD1-CG2 4.49Å; L25-K33 HydrophobicContact CD1-CG 3.79Å
26	K	50.9	Low	56.4	Low	187 Å²	187	83.4 Å²	83.4	81%	0.813	40%	0.395	S	S	*	.	H	α-helix	trans	-81.7	-33	178.1	-156.2	175.5	-175.5	-177.4	0	112.6	L22 I23 L24	L22-K26 WeakPolarHBondContact O-CB 3.37Å; L22-K26 PolarHBondContact O-N 3.02Å; I23-K26 PolarHBondContact O-N 3.48Å; L24-K26 PolarHBondContact O-N 3.45Å
27	K	38.5	Very low	56.3	Low	145 Å²	145	77.1 Å²	77.1	63%	0.63	37%	0.373	S	S	*	.	H	α-helix	trans	-87.3	-36.7	-176.5	-165.3	173.1	-176.7	176.8	0	113.4	I23 L24	I23-K27 VanDerWaalsContact O-CB 3.27Å; I23-K27 WeakPolarHBondContact O-CB 3.3Å; I23-K27 PolarHBondContact O-N 3.48Å; L24-K27 PolarHBondContact O-N 3.14Å
28	Y	45.6	Very low	56.2	Low	136 Å²	136	73 Å²	73	53%	0.533	35%	0.352	S	S	.	.	S	Bend	trans	-134	68.3	178	-60.9	-69	0	0	0	110.4	L24 I30 L31 T32	L24-Y28 CarbonylContact O-C 3.59Å; L24-Y28 WeakPolarHBondContact O-CA 3.29Å; L24-Y28 PolarHBondContact O-N 3.27Å; Y28-I30 PolarHBondContact O-N 2.92Å; Y28-L31 PolarHBondContact O-N 2.61Å; Y28-T32 WeakPolarHBondContact O-CB 3.39Å; Y28-T32 PolarHBondContact O-N 3.17Å; Y28-T32 PolarHBondContact O-OG1 2.91Å
29	P	53.1	Low	56.6	Low	43 Å²	43	75.2 Å²	75.2	28%	0.279	36%	0.363	S	S	.	.	H	α-helix	trans	-59.4	-33.6	-174	21.6	-32.5	0	0	0	112.9	L25 K33	L25-P29 WeakPolarHBondContact O-CA 3.34Å; L25-P29 WeakPolarHBondContact O-CB 3.42Å; P29-K33 WeakPolarHBondContact O-CB 3.28Å; P29-K33 WeakPolarHBondContact O-CD 3.3Å; P29-K33 WeakPolarHBondContact O-CG 3.39Å; P29-K33 PolarHBondContact O-N 2.91Å
30	I	49.2	Very low	57	Low	72 Å²	72	72.7 Å²	72.7	37%	0.369	35%	0.352	S	S	.	.	H	α-helix	trans	-72	-53.7	180	-54.2	175.4	0	0	0	110.2	Y28 K33 S34 H87	Y28-I30 PolarHBondContact O-N 2.92Å; I30-K33 PolarHBondContact O-N 3.41Å; I30-S34 VanDerWaalsContact O-CB 3.32Å; I30-S34 WeakPolarHBondContact O-CB 3.48Å; I30-S34 PolarHBondContact O-N 3.02Å; I30-S34 PolarHBondContact O-OG 3.35Å; I30-H87 WeakPolarHBondContact CD1-CD2 3.33Å; I30-H87 HydrophobicContact CG1-CB 4.06Å
31	L	48.8	Very low	57.4	Low	109 Å²	109	66.9 Å²	66.9	57%	0.571	33%	0.325	S	S	*	.	H	α-helix	trans	-68.3	-42.2	-171.7	-152	134	0	0	0	111.5	Y28 S34 I35	Y28-L31 PolarHBondContact O-N 2.61Å; L31-S34 PolarHBondContact O-N 3.02Å; L31-I35 HydrophobicContact CD2-CD1 3.56Å; L31-I35 HydrophobicContact CG-CD1 4.47Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 2.87Å; L31-I35 PolarHBondContact O-N 2.86Å
32	T	58	Low	58	Low	12 Å²	12	65.1 Å²	65.1	7%	0.074	32%	0.323	C	S	.	.	H	α-helix	trans	-68.6	-40.8	179.8	-34.7	0	0	0	0	111.6	Y21 L24 L25 Y28 T36	Y21-T32 HydrophobicContact CD2-CG2 4.09Å; Y21-T32 HydrophobicContact CE2-CG2 3.88Å; L24-T32 VanDerWaalsContact C-OG1 3.3Å; L24-T32 HydrophobicContact CB-CG2 3.92Å; L24-T32 PolarHBondContact O-OG1 2.93Å; L25-T32 HydrophobicContact CD1-CG2 4.49Å; Y28-T32 WeakPolarHBondContact O-CB 3.39Å; Y28-T32 PolarHBondContact O-N 3.17Å; Y28-T32 PolarHBondContact O-OG1 2.91Å; T32-T36 WeakPolarHBondContact O-CB 3.49Å; T32-T36 PolarHBondContact O-N 3.39Å; T32-T36 PolarHBondContact O-OG1 3.36Å
33	K	60.6	Low	58.9	Low	98 Å²	98	66 Å²	66	43%	0.426	33%	0.327	S	S	.	.	H	α-helix	trans	-67.1	-38.7	175.3	-71.3	177.1	-174	-176.4	0	112	L25 P29 I30 S37	L25-K33 HydrophobicContact CD1-CG 3.79Å; P29-K33 WeakPolarHBondContact O-CB 3.28Å; P29-K33 WeakPolarHBondContact O-CD 3.3Å; P29-K33 WeakPolarHBondContact O-CG 3.39Å; P29-K33 PolarHBondContact O-N 2.91Å; I30-K33 PolarHBondContact O-N 3.41Å; K33-S37 WeakPolarHBondContact O-CB 3.43Å; K33-S37 PolarHBondContact O-N 3.23Å
34	S	56.3	Low	59.4	Low	11 Å²	11	61 Å²	61	8%	0.077	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-51.7	176.2	-55.5	0	0	0	0	111.3	I30 L31 T36 S37 G38 L79 G83	I30-S34 VanDerWaalsContact O-CB 3.32Å; I30-S34 WeakPolarHBondContact O-CB 3.48Å; I30-S34 PolarHBondContact O-N 3.02Å; I30-S34 PolarHBondContact O-OG 3.35Å; L31-S34 PolarHBondContact O-N 3.02Å; S34-T36 PolarHBondContact O-N 2.67Å; S34-S37 PolarHBondContact O-N 2.8Å; S34-G38 PolarHBondContact O-N 3.42Å; S34-L79 WeakPolarHBondContact CB-O 3.04Å; S34-G83 VanDerWaalsContact OG-CA 3.25Å; S34-G83 WeakPolarHBondContact OG-CA 3.36Å
35	I	63	Low	60.4	Low	78 Å²	78	57.4 Å²	57.4	40%	0.4	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-46.7	179.7	-68.5	172.7	0	0	0	111.1	L31 S37 G38 I39 L79	L31-I35 HydrophobicContact CD2-CD1 3.56Å; L31-I35 HydrophobicContact CG-CD1 4.47Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 2.87Å; L31-I35 PolarHBondContact O-N 2.86Å; I35-S37 VanDerWaalsContact C-N 3.33Å; I35-S37 PolarHBondContact O-N 3.18Å; I35-G38 PolarHBondContact O-N 3.49Å; I35-I39 HydrophobicContact CG2-CD1 3.83Å; I35-I39 WeakPolarHBondContact O-CG1 2.89Å; I35-I39 PolarHBondContact O-N 3.41Å; I35-L79 HydrophobicContact CB-CD2 4.4Å; I35-L79 HydrophobicContact CG1-CD2 4.08Å
36	T	65.2	Low	61.4	Low	30 Å²	30	59.3 Å²	59.3	18%	0.184	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-41.6	179.5	-46.9	0	0	0	0	110.9	Y21 T32 S34 L40	Y21-T36 HydrophobicContact CE2-CG2 4.37Å; Y21-T36 WeakPolarHBondContact CE2-OG1 3.42Å; T32-T36 WeakPolarHBondContact O-CB 3.49Å; T32-T36 PolarHBondContact O-N 3.39Å; T32-T36 PolarHBondContact O-OG1 3.36Å; S34-T36 PolarHBondContact O-N 2.67Å; T36-L40 WeakPolarHBondContact O-CB 3.36Å; T36-L40 PolarHBondContact O-N 3.46Å
37	S	62.9	Low	62.5	Low	15 Å²	15	53.3 Å²	53.3	11%	0.105	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-42.9	175.9	-170.4	0	0	0	0	112	K33 S34 I35 L40 S41 T82 Y186	K33-S37 WeakPolarHBondContact O-CB 3.43Å; K33-S37 PolarHBondContact O-N 3.23Å; S34-S37 PolarHBondContact O-N 2.8Å; I35-S37 VanDerWaalsContact C-N 3.33Å; I35-S37 PolarHBondContact O-N 3.18Å; S37-L40 PolarHBondContact O-N 3.5Å; S37-S41 WeakPolarHBondContact O-CB 3.42Å; S37-S41 PolarHBondContact O-N 2.89Å; S37-S41 PolarHBondContact O-OG 3.34Å; S37-T82 WeakPolarHBondContact OG-CG2 3.31Å; S37-Y186 PolarHBondContact OG-OH 2.92Å
38	G	64.6	Low	64.1	Low	2 Å²	2	46.5 Å²	46.5	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-47.9	177.2	0	0	0	0	0	112.6	S34 I35 L40 S41 A42	S34-G38 PolarHBondContact O-N 3.42Å; I35-G38 PolarHBondContact O-N 3.49Å; G38-L40 PolarHBondContact O-N 3.25Å; G38-S41 PolarHBondContact O-N 3.48Å; G38-A42 WeakPolarHBondContact O-CB 3.4Å; G38-A42 PolarHBondContact O-N 2.91Å
39	I	71.6	Confident	65.1	Low	99 Å²	99	40.9 Å²	40.9	51%	0.508	22%	0.219	S	C	.	.	H	α-helix	trans	-61.7	-45.9	176.6	-66.3	167.6	0	0	0	110.3	I35 S41 A42 L43	I35-I39 HydrophobicContact CG2-CD1 3.83Å; I35-I39 WeakPolarHBondContact O-CG1 2.89Å; I35-I39 PolarHBondContact O-N 3.41Å; I39-S41 PolarHBondContact O-N 3.17Å; I39-A42 PolarHBondContact O-N 2.95Å; I39-L43 HydrophobicContact CG2-CD1 3.89Å; I39-L43 HydrophobicContact CG2-CG 4.36Å; I39-L43 WeakPolarHBondContact O-CB 3.42Å; I39-L43 WeakPolarHBondContact O-CG 3.28Å; I39-L43 PolarHBondContact O-N 3.23Å
40	L	70.5	Confident	66.2	Low	20 Å²	20	45.5 Å²	45.5	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-67	-38.6	-177	-161.5	63.7	0	0	0	112.5	T36 S37 G38 G44 N179 A182 L183 Y186	T36-L40 WeakPolarHBondContact O-CB 3.36Å; T36-L40 PolarHBondContact O-N 3.46Å; S37-L40 PolarHBondContact O-N 3.5Å; G38-L40 PolarHBondContact O-N 3.25Å; L40-G44 PolarHBondContact O-N 3.41Å; L40-N179 HydrophobicContact CD2-CB 4.33Å; L40-N179 WeakPolarHBondContact CD2-O 3.42Å; L40-A182 HydrophobicContact CD2-CB 3.56Å; L40-L183 HydrophobicContact CD1-CB 3.73Å; L40-L183 HydrophobicContact CD1-CD1 3.85Å; L40-L183 HydrophobicContact CD1-CG 3.97Å; L40-L183 HydrophobicContact CG-CB 4.31Å; L40-Y186 HydrophobicContact CB-CD2 4.41Å; L40-Y186 HydrophobicContact CB-CE2 4.24Å; L40-Y186 HydrophobicContact CD2-CD2 4.33Å; L40-Y186 HydrophobicContact CD2-CE2 4Å; L40-Y186 HydrophobicContact CG-CD2 4.02Å; L40-Y186 HydrophobicContact CG-CE2 4.07Å
41	S	67.2	Low	67.2	Low	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-40.8	174.4	-64.3	0	0	0	0	111.9	S37 G38 I39 G44 N45 Y74 Y186	S37-S41 WeakPolarHBondContact O-CB 3.42Å; S37-S41 PolarHBondContact O-N 2.89Å; S37-S41 PolarHBondContact O-OG 3.34Å; G38-S41 PolarHBondContact O-N 3.48Å; I39-S41 PolarHBondContact O-N 3.17Å; S41-G44 PolarHBondContact O-N 2.92Å; S41-N45 PolarHBondContact O-N 3.03Å; S41-Y74 WeakPolarHBondContact CB-O 3.35Å; S41-Y186 WeakPolarHBondContact OG-CE1 3.38Å
42	A	70.4	Confident	68.2	Low	21 Å²	21	43.3 Å²	43.3	17%	0.174	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-48.5	175.1	0	0	0	0	0	111.6	G38 I39 G44 N45 L46 A75	G38-A42 WeakPolarHBondContact O-CB 3.4Å; G38-A42 PolarHBondContact O-N 2.91Å; I39-A42 PolarHBondContact O-N 2.95Å; A42-G44 PolarHBondContact O-N 3.35Å; A42-N45 PolarHBondContact O-N 3.13Å; A42-L46 WeakPolarHBondContact O-CG 3.2Å; A42-L46 PolarHBondContact O-N 3.34Å; A42-A75 HydrophobicContact CB-CB 4.12Å
43	L	74.1	Confident	68.5	Low	85 Å²	85	43.7 Å²	43.7	45%	0.445	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-41.9	176.7	-72.5	175.2	0	0	0	112	I39 N45 L46 L47	I39-L43 HydrophobicContact CG2-CD1 3.89Å; I39-L43 HydrophobicContact CG2-CG 4.36Å; I39-L43 WeakPolarHBondContact O-CB 3.42Å; I39-L43 WeakPolarHBondContact O-CG 3.28Å; I39-L43 PolarHBondContact O-N 3.23Å; L43-N45 VanDerWaalsContact C-N 3.33Å; L43-N45 PolarHBondContact O-N 3.21Å; L43-L46 PolarHBondContact O-N 3.3Å; L43-L47 WeakPolarHBondContact O-CB 2.91Å; L43-L47 PolarHBondContact O-N 3.32Å
44	G	69.6	Low	68.9	Low	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-41.8	176.4	0	0	0	0	0	112.4	L40 S41 A42 L47 S48 A187	L40-G44 PolarHBondContact O-N 3.41Å; S41-G44 PolarHBondContact O-N 2.92Å; A42-G44 PolarHBondContact O-N 3.35Å; G44-L47 PolarHBondContact O-N 2.98Å; G44-S48 WeakPolarHBondContact O-CB 3.48Å; G44-S48 PolarHBondContact O-N 2.96Å; G44-A187 WeakPolarHBondContact O-CA 3.5Å
45	N	73.6	Confident	69.3	Low	9 Å²	9	53.6 Å²	53.6	5%	0.048	26%	0.263	C	S	.	.	H	α-helix	trans	-67.5	-42.8	176.5	-174.3	69.3	0	0	0	112.2	S41 A42 L43 S48 Q49 A71 Y74	S41-N45 PolarHBondContact O-N 3.03Å; A42-N45 PolarHBondContact O-N 3.13Å; L43-N45 VanDerWaalsContact C-N 3.33Å; L43-N45 PolarHBondContact O-N 3.21Å; N45-S48 WeakPolarHBondContact O-CB 3.25Å; N45-S48 PolarHBondContact O-N 3.49Å; N45-Q49 PolarHBondContact ND2-NE2 3.08Å; N45-Q49 WeakPolarHBondContact O-CG 3.3Å; N45-Q49 PolarHBondContact O-N 2.97Å; N45-A71 VanDerWaalsContact ND2-CA 3.28Å; N45-A71 WeakPolarHBondContact ND2-CA 3.49Å; N45-A71 PolarHBondContact ND2-N 3.27Å; N45-A71 VanDerWaalsContact ND2-N 3.16Å; N45-Y74 HydrophobicContact CB-CD2 3.84Å; N45-Y74 HydrophobicContact CB-CE2 4.22Å; N45-Y74 HydrophobicContact CB-CG 4.09Å; N45-Y74 VanDerWaalsContact OD1-CE2 3.22Å; N45-Y74 WeakPolarHBondContact OD1-CE2 3.26Å
46	L	74.8	Confident	69.3	Low	73 Å²	73	52.4 Å²	52.4	38%	0.382	26%	0.255	S	S	.	.	H	α-helix	trans	-62.5	-41.9	175.2	-70.2	173.1	0	0	0	112.2	A42 L43 S48 Q49 Y50 I66 A71	A42-L46 WeakPolarHBondContact O-CG 3.2Å; A42-L46 PolarHBondContact O-N 3.34Å; L43-L46 PolarHBondContact O-N 3.3Å; L46-S48 VanDerWaalsContact C-N 3.32Å; L46-S48 PolarHBondContact O-N 3Å; L46-Q49 PolarHBondContact O-N 3.03Å; L46-Y50 WeakPolarHBondContact O-CB 3.19Å; L46-Y50 PolarHBondContact O-N 3.32Å; L46-I66 HydrophobicContact CD2-CG2 3.94Å; L46-A71 HydrophobicContact CD2-CB 4.11Å; L46-A71 HydrophobicContact CG-CB 4.25Å
47	L	74.5	Confident	69.2	Low	61 Å²	61	54.1 Å²	54.1	32%	0.319	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-42	176.1	-166.2	94.9	0	0	0	111.2	L43 G44 Y50 L51 L183 A187	L43-L47 WeakPolarHBondContact O-CB 2.91Å; L43-L47 PolarHBondContact O-N 3.32Å; G44-L47 PolarHBondContact O-N 2.98Å; L47-Y50 PolarHBondContact O-N 3.32Å; L47-L51 HydrophobicContact CD2-CD1 4.03Å; L47-L51 HydrophobicContact CG-CD1 4.17Å; L47-L51 WeakPolarHBondContact O-CB 3.43Å; L47-L51 WeakPolarHBondContact O-CG 3.28Å; L47-L51 PolarHBondContact O-N 3.1Å; L47-L183 HydrophobicContact CD2-CD2 3.85Å; L47-A187 HydrophobicContact CD2-CB 3.96Å
48	S	71.7	Confident	69.3	Low	3 Å²	3	62 Å²	62	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-60.8	-49.5	176.9	-162.1	0	0	0	0	111	G44 N45 L46 Y50 L51 E52 A187 A190 T191	G44-S48 WeakPolarHBondContact O-CB 3.48Å; G44-S48 PolarHBondContact O-N 2.96Å; N45-S48 WeakPolarHBondContact O-CB 3.25Å; N45-S48 PolarHBondContact O-N 3.49Å; L46-S48 VanDerWaalsContact C-N 3.32Å; L46-S48 PolarHBondContact O-N 3Å; S48-Y50 VanDerWaalsContact C-N 3.34Å; S48-Y50 PolarHBondContact O-N 3.4Å; S48-L51 PolarHBondContact O-N 3.16Å; S48-E52 WeakPolarHBondContact O-CB 3.44Å; S48-E52 PolarHBondContact O-N 3.23Å; S48-A187 WeakPolarHBondContact CB-O 3.47Å; S48-A187 PolarHBondContact OG-O 3.01Å; S48-A190 WeakPolarHBondContact OG-CB 3.44Å; S48-T191 PolarHBondContact OG-N 2.94Å; S48-T191 PolarHBondContact OG-OG1 3.1Å
49	Q	68.2	Low	69.6	Low	18 Å²	18	66.1 Å²	66.1	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-59.9	-41.7	176.6	-69.8	177.4	7.6	0	0	112.2	N45 L46 E52 G53 D67	N45-Q49 PolarHBondContact ND2-NE2 3.08Å; N45-Q49 WeakPolarHBondContact O-CG 3.3Å; N45-Q49 PolarHBondContact O-N 2.97Å; L46-Q49 PolarHBondContact O-N 3.03Å; Q49-E52 PolarHBondContact O-N 2.82Å; Q49-G53 PolarHBondContact O-N 2.97Å; Q49-D67 PolarHBondContact NE2-O 3.38Å; Q49-D67 VanDerWaalsContact OE1-N 3.1Å
50	Y	74.6	Confident	69	Low	140 Å²	140	65 Å²	65	55%	0.549	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-46.5	177.3	179.3	-102.2	0	0	0	113	L46 L47 S48 E52 G53 R54	L46-Y50 WeakPolarHBondContact O-CB 3.19Å; L46-Y50 PolarHBondContact O-N 3.32Å; L47-Y50 PolarHBondContact O-N 3.32Å; S48-Y50 VanDerWaalsContact C-N 3.34Å; S48-Y50 PolarHBondContact O-N 3.4Å; Y50-E52 VanDerWaalsContact C-N 3.26Å; Y50-E52 PolarHBondContact O-N 2.73Å; Y50-G53 PolarHBondContact O-N 3.37Å; Y50-R54 PolarHBondContact O-N 3.41Å
51	L	71.6	Confident	68.4	Low	93 Å²	93	72.5 Å²	72.5	49%	0.487	37%	0.373	S	S	.	.	H	α-helix	trans	-62.8	-36.1	177.7	-74.5	170.3	0	0	0	111.9	L47 S48 R54 K55	L47-L51 HydrophobicContact CD2-CD1 4.03Å; L47-L51 HydrophobicContact CG-CD1 4.17Å; L47-L51 WeakPolarHBondContact O-CB 3.43Å; L47-L51 WeakPolarHBondContact O-CG 3.28Å; L47-L51 PolarHBondContact O-N 3.1Å; S48-L51 PolarHBondContact O-N 3.16Å; L51-R54 PolarHBondContact O-N 2.89Å; L51-K55 PolarHBondContact O-N 2.86Å
52	E	68.3	Low	67.7	Low	41 Å²	41	78.1 Å²	78.1	19%	0.192	41%	0.409	C	S	.	.	H	α-helix	trans	-71.1	-43.9	177.9	-141.2	172.3	-167.6	0	0	112	S48 Q49 Y50 R54 K55 K56 K194	S48-E52 WeakPolarHBondContact O-CB 3.44Å; S48-E52 PolarHBondContact O-N 3.23Å; Q49-E52 PolarHBondContact O-N 2.82Å; Y50-E52 VanDerWaalsContact C-N 3.26Å; Y50-E52 PolarHBondContact O-N 2.73Å; E52-R54 VanDerWaalsContact C-N 3.27Å; E52-R54 PolarHBondContact O-N 3.48Å; E52-K55 PolarHBondContact O-N 2.72Å; E52-K56 WeakPolarHBondContact O-CG 3.39Å; E52-K56 PolarHBondContact O-N 3.38Å; E52-K194 WeakPolarHBondContact OE2-CD 3.29Å; E52-K194 WeakPolarHBondContact OE2-CE 3.49Å; E52-K194 IonicContact OE2-NZ 3.39Å; E52-K194 PolarHBondContact OE2-NZ 2.79Å
53	G	65.4	Low	67	Low	21 Å²	21	80.3 Å²	80.3	22%	0.216	43%	0.427	C	S	.	.	H	α-helix	trans	-57.1	-41.8	171.8	0	0	0	0	0	111.7	Q49 Y50 K56 A57	Q49-G53 PolarHBondContact O-N 2.97Å; Y50-G53 PolarHBondContact O-N 3.37Å; G53-K56 PolarHBondContact O-N 2.74Å; G53-A57 VanDerWaalsContact O-CB 3.25Å; G53-A57 WeakPolarHBondContact O-CB 3.45Å; G53-A57 PolarHBondContact O-N 2.89Å
54	R	68.8	Low	66.2	Low	159 Å²	159	82.5 Å²	82.5	60%	0.6	44%	0.435	S	S	*	.	H	α-helix	trans	-67.5	-37.6	176.5	-134	-173.3	-174	-165.1	3.1	113.3	Y50 L51 E52 K58	Y50-R54 PolarHBondContact O-N 3.41Å; L51-R54 PolarHBondContact O-N 2.89Å; E52-R54 VanDerWaalsContact C-N 3.27Å; E52-R54 PolarHBondContact O-N 3.48Å; R54-K58 PolarHBondContact O-N 3.38Å; R54-K58 VanDerWaalsContact O-N 3.16Å
55	K	65.1	Low	65.7	Low	158 Å²	158	91.3 Å²	91.3	69%	0.687	48%	0.476	S	S	*	.	H	α-helix	trans	-67.3	-46.2	174.4	-90.5	-173.5	176	-178	0	111.7	L51 E52 K58 S59	L51-K55 PolarHBondContact O-N 2.86Å; E52-K55 PolarHBondContact O-N 2.72Å; K55-K58 PolarHBondContact O-N 2.94Å; K55-S59 PolarHBondContact O-N 3.42Å; K55-S59 PolarHBondContact O-OG 3.43Å
56	K	63.5	Low	65.3	Low	52 Å²	52	96 Å²	96	23%	0.226	50%	0.5	C	S	.	.	H	α-helix	trans	-64.3	-40.8	178.6	-72.7	-176.8	-178.6	-175.1	0	111.6	E52 G53 K58 S59 G60 R61 E64	E52-K56 WeakPolarHBondContact O-CG 3.39Å; E52-K56 PolarHBondContact O-N 3.38Å; G53-K56 PolarHBondContact O-N 2.74Å; K56-K58 VanDerWaalsContact C-N 3.34Å; K56-K58 PolarHBondContact O-N 2.97Å; K56-S59 CarbonylContact O-C 3.44Å; K56-S59 PolarHBondContact O-N 3.04Å; K56-G60 PolarHBondContact O-N 3.14Å; K56-G60 VanDerWaalsContact O-N 3.15Å; K56-R61 CarbonylContact C-O 3.44Å; K56-R61 HydrophobicContact CB-CB 4.24Å; K56-R61 PolarHBondContact O-N 3.29Å; K56-E64 IonicContact NZ-OE2 2.72Å; K56-E64 PolarHBondContact NZ-OE2 2.8Å
57	A	61.9	Low	65	Low	67 Å²	67	96 Å²	96	55%	0.554	50%	0.5	S	S	*	.	H	α-helix	trans	-60.7	-39.7	173.4	0	0	0	0	0	112.8	G53 S59 G60	G53-A57 VanDerWaalsContact O-CB 3.25Å; G53-A57 WeakPolarHBondContact O-CB 3.45Å; G53-A57 PolarHBondContact O-N 2.89Å; A57-S59 VanDerWaalsContact C-N 3.3Å; A57-S59 PolarHBondContact O-N 3.43Å; A57-G60 PolarHBondContact O-N 3.29Å
58	K	66.3	Low	64.6	Low	179 Å²	179	97.6 Å²	97.6	78%	0.778	51%	0.513	S	S	*	.	H	α-helix	trans	-69.3	-24.1	173.2	-80.5	-170.9	174	-167	0	114	R54 K55 K56	R54-K58 PolarHBondContact O-N 3.38Å; R54-K58 VanDerWaalsContact O-N 3.16Å; K55-K58 PolarHBondContact O-N 2.94Å; K56-K58 VanDerWaalsContact C-N 3.34Å; K56-K58 PolarHBondContact O-N 2.97Å
59	S	70	Confident	64.4	Low	90 Å²	90	99.8 Å²	99.8	63%	0.629	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	11.9	178.4	-60.9	0	0	0	0	113.4	K55 K56 A57 R61	K55-S59 PolarHBondContact O-N 3.42Å; K55-S59 PolarHBondContact O-OG 3.43Å; K56-S59 CarbonylContact O-C 3.44Å; K56-S59 PolarHBondContact O-N 3.04Å; A57-S59 VanDerWaalsContact C-N 3.3Å; A57-S59 PolarHBondContact O-N 3.43Å; S59-R61 VanDerWaalsContact C-N 3.25Å; S59-R61 PolarHBondContact O-N 2.89Å
60	G	59.5	Low	64.3	Low	74 Å²	74	99 Å²	99	76%	0.763	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	15.7	177.4	0	0	0	0	0	115.1	K56 A57	K56-G60 PolarHBondContact O-N 3.14Å; K56-G60 VanDerWaalsContact O-N 3.15Å; A57-G60 PolarHBondContact O-N 3.29Å
61	R	58	Low	63.9	Low	179 Å²	179	92.7 Å²	92.7	68%	0.675	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-96.7	144.9	176.4	-65	-174.4	-172.7	177.9	1.9	110.1	K56 S59 A63	K56-R61 CarbonylContact C-O 3.44Å; K56-R61 HydrophobicContact CB-CB 4.24Å; K56-R61 PolarHBondContact O-N 3.29Å; S59-R61 VanDerWaalsContact C-N 3.25Å; S59-R61 PolarHBondContact O-N 2.89Å; R61-A63 PolarHBondContact O-N 3.4Å
62	P	52.8	Low	63.8	Low	117 Å²	117	91.9 Å²	91.9	76%	0.76	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-58.6	134.6	176	23	-31	0	0	0	110.2
63	A	55	Low	64	Low	67 Å²	67	93.5 Å²	93.5	55%	0.554	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-70.2	127.6	172.8	0	0	0	0	0	108.5	R61	R61-A63 PolarHBondContact O-N 3.4Å
64	E	57.7	Low	64.1	Low	132 Å²	132	92.5 Å²	92.5	62%	0.617	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-69.9	146.5	169.6	-82.1	169.9	144.3	0	0	109.8	K56	K56-E64 IonicContact NZ-OE2 2.72Å; K56-E64 PolarHBondContact NZ-OE2 2.8Å
65	E	58.7	Low	64.1	Low	185 Å²	185	85.9 Å²	85.9	86%	0.864	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-58.8	147.2	173.8	-67.1	-176	167	0	0	111.2	D67	E65-D67 PolarHBondContact O-N 2.99Å; E65-D67 VanDerWaalsContact O-N 3.1Å
66	I	65	Low	64.4	Low	107 Å²	107	81.8 Å²	81.8	55%	0.549	46%	0.462	S	S	.	.			trans	-62.2	113.2	177.7	-64.9	177.5	0	0	0	108.2	L46 V68	L46-I66 HydrophobicContact CD2-CG2 3.94Å; I66-V68 HydrophobicContact CG2-CG2 4.29Å; I66-V68 PolarHBondContact O-N 2.96Å
67	D	67.9	Low	64.8	Low	72 Å²	72	79.4 Å²	79.4	39%	0.385	45%	0.452	S	S	.	.			trans	-76.2	88.5	176.6	175.3	22.2	0	0	0	110.3	Q49 E65 A69 G70 A71	Q49-D67 PolarHBondContact NE2-O 3.38Å; Q49-D67 VanDerWaalsContact OE1-N 3.1Å; E65-D67 PolarHBondContact O-N 2.99Å; E65-D67 VanDerWaalsContact O-N 3.1Å; D67-A69 VanDerWaalsContact C-N 3.27Å; D67-A69 PolarHBondContact O-N 3.46Å; D67-A69 WeakPolarHBondContact OD1-CB 3.42Å; D67-A69 PolarHBondContact OD1-N 2.61Å; D67-A69 VanDerWaalsContact OD1-N 3.14Å; D67-G70 PolarHBondContact O-N 3.38Å; D67-G70 PolarHBondContact OD1-N 2.84Å; D67-G70 VanDerWaalsContact OD2-CA 3.28Å; D67-G70 WeakPolarHBondContact OD2-CA 3.22Å; D67-G70 PolarHBondContact OD2-N 3.28Å; D67-A71 PolarHBondContact O-N 3.46Å
68	V	67.4	Low	65	Low	96 Å²	96	76.2 Å²	76.2	58%	0.582	43%	0.425	S	S	*	.	H	α-helix	trans	-64.4	-31.6	176.4	-175.5	0	0	0	0	111.5	I66 A71 T72	I66-V68 HydrophobicContact CG2-CG2 4.29Å; I66-V68 PolarHBondContact O-N 2.96Å; V68-A71 PolarHBondContact O-N 3.34Å; V68-T72 PolarHBondContact O-N 3.5Å; V68-T72 PolarHBondContact O-OG1 3.43Å
69	A	67.7	Low	65	Low	49 Å²	49	71.1 Å²	71.1	41%	0.405	41%	0.406	S	S	.	.	H	α-helix	trans	-67.5	-38.6	175.8	0	0	0	0	0	110.9	D67 T72 R73	D67-A69 VanDerWaalsContact C-N 3.27Å; D67-A69 PolarHBondContact O-N 3.46Å; D67-A69 WeakPolarHBondContact OD1-CB 3.42Å; D67-A69 PolarHBondContact OD1-N 2.61Å; D67-A69 VanDerWaalsContact OD1-N 3.14Å; A69-T72 PolarHBondContact O-N 2.93Å; A69-R73 VanDerWaalsContact O-CG 3.29Å; A69-R73 WeakPolarHBondContact O-CG 3.31Å; A69-R73 PolarHBondContact O-N 2.96Å
70	G	65.2	Low	64.9	Low	1 Å²	1	72 Å²	72	1%	0.01	40%	0.403	C	S	.	.	H	α-helix	trans	-56.6	-50	169.2	0	0	0	0	0	112.7	D67 T72 R73 Y74	D67-G70 PolarHBondContact O-N 3.38Å; D67-G70 PolarHBondContact OD1-N 2.84Å; D67-G70 VanDerWaalsContact OD2-CA 3.28Å; D67-G70 WeakPolarHBondContact OD2-CA 3.22Å; D67-G70 PolarHBondContact OD2-N 3.28Å; G70-T72 VanDerWaalsContact C-N 3.29Å; G70-T72 PolarHBondContact O-N 2.99Å; G70-R73 PolarHBondContact O-N 3.02Å; G70-Y74 VanDerWaalsContact O-CD2 3.3Å; G70-Y74 WeakPolarHBondContact O-CD2 3.09Å; G70-Y74 PolarHBondContact O-N 3.39Å; G70-Y74 VanDerWaalsContact O-N 3.1Å
71	A	66.2	Low	65.4	Low	8 Å²	8	70.5 Å²	70.5	7%	0.066	38%	0.377	C	S	.	.	H	α-helix	trans	-61.3	-38.3	179.5	0	0	0	0	0	112.4	N45 L46 D67 V68 Y74 A75	N45-A71 VanDerWaalsContact ND2-CA 3.28Å; N45-A71 WeakPolarHBondContact ND2-CA 3.49Å; N45-A71 PolarHBondContact ND2-N 3.27Å; N45-A71 VanDerWaalsContact ND2-N 3.16Å; L46-A71 HydrophobicContact CD2-CB 4.11Å; L46-A71 HydrophobicContact CG-CB 4.25Å; D67-A71 PolarHBondContact O-N 3.46Å; V68-A71 PolarHBondContact O-N 3.34Å; A71-Y74 PolarHBondContact O-N 3.01Å; A71-A75 PolarHBondContact O-N 3.43Å
72	T	70	Confident	65.8	Low	75 Å²	75	62.4 Å²	62.4	46%	0.46	35%	0.347	S	S	.	.	H	α-helix	trans	-67.1	-41.4	177.4	-55.4	0	0	0	0	111.8	V68 A69 G70 Y74 A75 I76	V68-T72 PolarHBondContact O-N 3.5Å; V68-T72 PolarHBondContact O-OG1 3.43Å; A69-T72 PolarHBondContact O-N 2.93Å; G70-T72 VanDerWaalsContact C-N 3.29Å; G70-T72 PolarHBondContact O-N 2.99Å; T72-Y74 VanDerWaalsContact C-N 3.32Å; T72-Y74 PolarHBondContact O-N 3.48Å; T72-A75 WeakPolarHBondContact O-CB 3.17Å; T72-A75 PolarHBondContact O-N 3.07Å; T72-A75 VanDerWaalsContact O-N 3.17Å; T72-I76 HydrophobicContact CG2-CD1 4.03Å; T72-I76 VanDerWaalsContact O-CG1 3.3Å; T72-I76 WeakPolarHBondContact O-CG1 3.47Å; T72-I76 PolarHBondContact O-N 3.12Å
73	R	71.1	Confident	66.4	Low	75 Å²	75	57.1 Å²	57.1	28%	0.283	31%	0.314	S	S	.	.	H	α-helix	trans	-59.4	-42.4	173.6	-69	168.4	-175.5	125.8	0.2	111.7	A69 G70 I76 F77 M128 L131	A69-R73 VanDerWaalsContact O-CG 3.29Å; A69-R73 WeakPolarHBondContact O-CG 3.31Å; A69-R73 PolarHBondContact O-N 2.96Å; G70-R73 PolarHBondContact O-N 3.02Å; R73-I76 PolarHBondContact O-N 3.34Å; R73-F77 PolarHBondContact O-N 2.99Å; R73-M128 HydrophobicContact CB-CE 4.16Å; R73-M128 WeakPolarHBondContact O-CE 3.37Å; R73-L131 HydrophobicContact CB-CB 4.41Å; R73-L131 HydrophobicContact CB-CD1 4.12Å; R73-L131 HydrophobicContact CG-CB 4.09Å; R73-L131 HydrophobicContact CG-CD1 4.49Å; R73-L131 PolarHBondContact NE-O 2.95Å
74	Y	68.1	Low	67	Low	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-38.4	174.3	-87.5	-86.1	0	0	0	113.1	S41 N45 G70 A71 T72 G78 F124 M128 A190 R193	S41-Y74 WeakPolarHBondContact CB-O 3.35Å; N45-Y74 HydrophobicContact CB-CD2 3.84Å; N45-Y74 HydrophobicContact CB-CE2 4.22Å; N45-Y74 HydrophobicContact CB-CG 4.09Å; N45-Y74 VanDerWaalsContact OD1-CE2 3.22Å; N45-Y74 WeakPolarHBondContact OD1-CE2 3.26Å; G70-Y74 VanDerWaalsContact O-CD2 3.3Å; G70-Y74 WeakPolarHBondContact O-CD2 3.09Å; G70-Y74 PolarHBondContact O-N 3.39Å; G70-Y74 VanDerWaalsContact O-N 3.1Å; A71-Y74 PolarHBondContact O-N 3.01Å; T72-Y74 VanDerWaalsContact C-N 3.32Å; T72-Y74 PolarHBondContact O-N 3.48Å; Y74-G78 PolarHBondContact O-N 3.45Å; Y74-F124 AromaticContact CD1-CE2 3.96Å; Y74-F124 HydrophobicContact CD1-CE2 3.96Å; Y74-F124 HydrophobicContact CD1-CZ 4.33Å; Y74-F124 AromaticContact CE1-CE2 3.46Å; Y74-F124 HydrophobicContact CE1-CE2 3.46Å; Y74-F124 VanDerWaalsContact CE1-CE2 3.46Å; Y74-F124 AromaticContact CE1-CZ 3.39Å; Y74-F124 HydrophobicContact CE1-CZ 3.39Å; Y74-F124 AromaticContact CZ-CZ 3.83Å; Y74-M128 VanDerWaalsContact CA-CE 3.49Å; Y74-M128 HydrophobicContact CD1-CE 3.81Å; Y74-M128 HydrophobicContact CD2-CE 3.83Å; Y74-M128 HydrophobicContact CE1-CE 4.23Å; Y74-M128 HydrophobicContact CE2-CE 4.26Å; Y74-M128 HydrophobicContact CG-CE 3.61Å; Y74-A190 VanDerWaalsContact OH-CA 3.31Å; Y74-A190 WeakPolarHBondContact OH-CA 3.36Å; Y74-R193 VanDerWaalsContact OH-CZ 3.3Å; Y74-R193 PolarHBondContact OH-NH1 3Å
75	A	68.3	Low	67.6	Low	21 Å²	21	52.2 Å²	52.2	17%	0.174	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-46.5	174.4	0	0	0	0	0	111.4	A42 A71 T72 F77 G78 L79	A42-A75 HydrophobicContact CB-CB 4.12Å; A71-A75 PolarHBondContact O-N 3.43Å; T72-A75 WeakPolarHBondContact O-CB 3.17Å; T72-A75 PolarHBondContact O-N 3.07Å; T72-A75 VanDerWaalsContact O-N 3.17Å; A75-F77 PolarHBondContact O-N 3.46Å; A75-G78 PolarHBondContact O-N 2.62Å; A75-L79 WeakPolarHBondContact O-CB 3.5Å; A75-L79 VanDerWaalsContact O-CG 3.28Å; A75-L79 WeakPolarHBondContact O-CG 3.18Å; A75-L79 PolarHBondContact O-N 3.04Å
76	I	72.1	Confident	67.9	Low	72 Å²	72	44.4 Å²	44.4	37%	0.369	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-43.9	178.2	-67.4	166.8	0	0	0	110.8	T72 R73 G78 L79 I80	T72-I76 HydrophobicContact CG2-CD1 4.03Å; T72-I76 VanDerWaalsContact O-CG1 3.3Å; T72-I76 WeakPolarHBondContact O-CG1 3.47Å; T72-I76 PolarHBondContact O-N 3.12Å; R73-I76 PolarHBondContact O-N 3.34Å; I76-G78 PolarHBondContact O-N 3.33Å; I76-L79 PolarHBondContact O-N 3.28Å; I76-I80 HydrophobicContact CG2-CD1 3.76Å; I76-I80 HydrophobicContact CG2-CG1 4.32Å; I76-I80 WeakPolarHBondContact O-CB 3.3Å; I76-I80 PolarHBondContact O-N 3.47Å
77	F	72.7	Confident	68	Low	1 Å²	1	41.5 Å²	41.5	0%	0.004	24%	0.236	C	C	.	.	I	π-helix	trans	-58.9	-48.1	175	178.4	-94.9	0	0	0	111.8	R73 A75 L79 I81 T82 F120 F124 V127 M128	R73-F77 PolarHBondContact O-N 2.99Å; A75-F77 PolarHBondContact O-N 3.46Å; F77-L79 VanDerWaalsContact C-N 3.33Å; F77-L79 PolarHBondContact O-N 3.45Å; F77-I81 HydrophobicContact CD2-CB 3.92Å; F77-I81 HydrophobicContact CD2-CG1 4.09Å; F77-I81 HydrophobicContact CD2-CG2 4.19Å; F77-I81 HydrophobicContact CE2-CB 3.83Å; F77-I81 HydrophobicContact CE2-CG1 4.3Å; F77-I81 HydrophobicContact CE2-CG2 3.58Å; F77-I81 HydrophobicContact CZ-CB 4.41Å; F77-I81 HydrophobicContact CZ-CG2 4.02Å; F77-I81 WeakPolarHBondContact O-CB 3Å; F77-I81 PolarHBondContact O-N 3Å; F77-T82 VanDerWaalsContact CE1-OG1 3.26Å; F77-T82 WeakPolarHBondContact CE1-OG1 3.38Å; F77-T82 PolarHBondContact O-N 3.47Å; F77-T82 VanDerWaalsContact O-N 3.08Å; F77-T82 PolarHBondContact O-OG1 2.86Å; F77-F120 HydrophobicContact CE1-CE1 4.38Å; F77-F120 AromaticContact CE1-CZ 3.85Å; F77-F120 HydrophobicContact CE1-CZ 3.85Å; F77-F120 HydrophobicContact CZ-CE2 4.37Å; F77-F120 AromaticContact CZ-CZ 3.99Å; F77-F120 HydrophobicContact CZ-CZ 3.99Å; F77-F124 AromaticContact CD1-CD2 3.78Å; F77-F124 HydrophobicContact CD1-CD2 3.78Å; F77-F124 HydrophobicContact CD1-CE2 4.33Å; F77-F124 HydrophobicContact CD2-CD2 4.47Å; F77-F124 HydrophobicContact CE1-CB 4.16Å; F77-F124 AromaticContact CE1-CD2 3.52Å; F77-F124 HydrophobicContact CE1-CD2 3.52Å; F77-F124 HydrophobicContact CE1-CE2 4.43Å; F77-F124 HydrophobicContact CE1-CG 4.32Å; F77-F124 HydrophobicContact CE2-CB 4.19Å; F77-F124 HydrophobicContact CE2-CD2 4.24Å; F77-F124 HydrophobicContact CG-CD2 4.27Å; F77-F124 HydrophobicContact CZ-CB 3.64Å; F77-F124 AromaticContact CZ-CD2 3.77Å; F77-F124 HydrophobicContact CZ-CD2 3.77Å; F77-F124 HydrophobicContact CZ-CG 4.22Å; F77-V127 HydrophobicContact CD2-CB 3.82Å; F77-V127 HydrophobicContact CD2-CG1 3.7Å; F77-V127 HydrophobicContact CD2-CG2 4.32Å; F77-V127 HydrophobicContact CE2-CB 3.99Å; F77-V127 HydrophobicContact CE2-CG1 4.35Å; F77-V127 HydrophobicContact CE2-CG2 4.17Å; F77-M128 HydrophobicContact CB-CE 3.97Å; F77-M128 HydrophobicContact CB-SD 4.06Å; F77-M128 HydrophobicContact CD2-SD 4.35Å; F77-M128 HydrophobicContact CG-SD 4.27Å
78	G	65.8	Low	68.2	Low	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-61.3	-38.7	178.2	0	0	0	0	0	113.7	Y74 A75 I76 T82	Y74-G78 PolarHBondContact O-N 3.45Å; A75-G78 PolarHBondContact O-N 2.62Å; I76-G78 PolarHBondContact O-N 3.33Å; G78-T82 WeakPolarHBondContact CA-OG1 3.32Å; G78-T82 WeakPolarHBondContact O-CB 3.39Å
79	L	65.6	Low	68.3	Low	73 Å²	73	40.1 Å²	40.1	38%	0.382	22%	0.223	S	C	.	.	I	π-helix	trans	-75.8	-46.7	-179.2	-73.1	171.5	0	0	0	113.1	S34 I35 A75 I76 F77	S34-L79 WeakPolarHBondContact CB-O 3.04Å; I35-L79 HydrophobicContact CB-CD2 4.4Å; I35-L79 HydrophobicContact CG1-CD2 4.08Å; A75-L79 WeakPolarHBondContact O-CB 3.5Å; A75-L79 VanDerWaalsContact O-CG 3.28Å; A75-L79 WeakPolarHBondContact O-CG 3.18Å; A75-L79 PolarHBondContact O-N 3.04Å; I76-L79 PolarHBondContact O-N 3.28Å; F77-L79 VanDerWaalsContact C-N 3.33Å; F77-L79 PolarHBondContact O-N 3.45Å
80	I	67.8	Low	68.3	Low	109 Å²	109	42.1 Å²	42.1	56%	0.559	22%	0.221	S	C	*	.	I	π-helix	trans	-96.2	-34.6	-166.9	-58.7	-175.1	0	0	0	112.1	I76 P84	I76-I80 HydrophobicContact CG2-CD1 3.76Å; I76-I80 HydrophobicContact CG2-CG1 4.32Å; I76-I80 WeakPolarHBondContact O-CB 3.3Å; I76-I80 PolarHBondContact O-N 3.47Å; I80-P84 VanDerWaalsContact O-CD 3.25Å; I80-P84 WeakPolarHBondContact O-CD 3.41Å; I80-P84 WeakPolarHBondContact O-CG 3.25Å
81	I	69.4	Low	68.5	Low	41 Å²	41	47 Å²	47	21%	0.21	24%	0.243	C	C	.	.	I	π-helix	trans	-102.5	-52.7	-173.2	-60	-71.7	0	0	0	110.2	F77 G83 P84 V85 L123 V127	F77-I81 HydrophobicContact CD2-CB 3.92Å; F77-I81 HydrophobicContact CD2-CG1 4.09Å; F77-I81 HydrophobicContact CD2-CG2 4.19Å; F77-I81 HydrophobicContact CE2-CB 3.83Å; F77-I81 HydrophobicContact CE2-CG1 4.3Å; F77-I81 HydrophobicContact CE2-CG2 3.58Å; F77-I81 HydrophobicContact CZ-CB 4.41Å; F77-I81 HydrophobicContact CZ-CG2 4.02Å; F77-I81 WeakPolarHBondContact O-CB 3Å; F77-I81 PolarHBondContact O-N 3Å; I81-G83 VanDerWaalsContact C-N 3.32Å; I81-G83 PolarHBondContact O-N 3.37Å; I81-P84 WeakPolarHBondContact O-CD 3.4Å; I81-V85 HydrophobicContact CG2-CG2 4.06Å; I81-V85 WeakPolarHBondContact O-CB 3.3Å; I81-V85 WeakPolarHBondContact O-CG2 3.33Å; I81-V85 PolarHBondContact O-N 3.4Å; I81-V85 VanDerWaalsContact O-N 3.13Å; I81-L123 HydrophobicContact CG2-CD2 3.46Å; I81-L123 VanDerWaalsContact CG2-CD2 3.46Å; I81-L123 HydrophobicContact CG2-CG 4Å; I81-V127 HydrophobicContact CD1-CG2 4.3Å; I81-V127 HydrophobicContact CG1-CG1 4.42Å; I81-V127 HydrophobicContact CG1-CG2 4.26Å
82	T	67.1	Low	68.7	Low	10 Å²	10	50.5 Å²	50.5	6%	0.061	26%	0.261	C	S	.	.	I	π-helix	trans	-61.2	-41.5	-172.4	-48.5	0	0	0	0	112.7	S37 F77 G78 S86 F120	S37-T82 WeakPolarHBondContact OG-CG2 3.31Å; F77-T82 VanDerWaalsContact CE1-OG1 3.26Å; F77-T82 WeakPolarHBondContact CE1-OG1 3.38Å; F77-T82 PolarHBondContact O-N 3.47Å; F77-T82 VanDerWaalsContact O-N 3.08Å; F77-T82 PolarHBondContact O-OG1 2.86Å; G78-T82 WeakPolarHBondContact CA-OG1 3.32Å; G78-T82 WeakPolarHBondContact O-CB 3.39Å; T82-S86 WeakPolarHBondContact O-CB 3.32Å; T82-S86 PolarHBondContact O-N 2.91Å; T82-S86 VanDerWaalsContact O-N 3.12Å; T82-S86 PolarHBondContact O-OG 3.33Å; T82-F120 HydrophobicContact CG2-CE2 3.85Å; T82-F120 HydrophobicContact CG2-CZ 3.49Å; T82-F120 VanDerWaalsContact CG2-CZ 3.49Å
83	G	64.9	Low	68.5	Low	5 Å²	5	47.8 Å²	47.8	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-66.1	179.1	0	0	0	0	0	115.2	S34 I81 H87	S34-G83 VanDerWaalsContact OG-CA 3.25Å; S34-G83 WeakPolarHBondContact OG-CA 3.36Å; I81-G83 VanDerWaalsContact C-N 3.32Å; I81-G83 PolarHBondContact O-N 3.37Å; G83-H87 PolarHBondContact O-N 3.32Å; G83-H87 VanDerWaalsContact O-N 3.07Å
84	P	68.9	Low	68.3	Low	47 Å²	47	50 Å²	50	31%	0.305	26%	0.256	S	S	.	.	H	α-helix	trans	-68.8	-38	-176	22.2	-29.6	0	0	0	112.7	I80 I81 S86 H87 I88	I80-P84 VanDerWaalsContact O-CD 3.25Å; I80-P84 WeakPolarHBondContact O-CD 3.41Å; I80-P84 WeakPolarHBondContact O-CG 3.25Å; I81-P84 WeakPolarHBondContact O-CD 3.4Å; P84-S86 PolarHBondContact O-N 2.99Å; P84-H87 PolarHBondContact O-N 3.28Å; P84-I88 WeakPolarHBondContact O-CG1 3.48Å; P84-I88 PolarHBondContact O-N 3.37Å
85	V	69.3	Low	68.4	Low	50 Å²	50	55.5 Å²	55.5	30%	0.303	29%	0.29	S	S	.	.	H	α-helix	trans	-64.3	-43.8	178.5	175.2	0	0	0	0	110.9	I81 H87 F89 L123	I81-V85 HydrophobicContact CG2-CG2 4.06Å; I81-V85 WeakPolarHBondContact O-CB 3.3Å; I81-V85 WeakPolarHBondContact O-CG2 3.33Å; I81-V85 PolarHBondContact O-N 3.4Å; I81-V85 VanDerWaalsContact O-N 3.13Å; V85-H87 VanDerWaalsContact C-N 3.32Å; V85-H87 PolarHBondContact O-N 2.94Å; V85-F89 WeakPolarHBondContact O-CB 3.46Å; V85-F89 PolarHBondContact O-N 3.47Å; V85-L123 HydrophobicContact CB-CD2 4.49Å; V85-L123 HydrophobicContact CG1-CD2 4.09Å; V85-L123 HydrophobicContact CG2-CD2 3.95Å
86	S	65.4	Low	68.4	Low	21 Å²	21	63 Å²	63	15%	0.147	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-41	175.4	-58.2	0	0	0	0	111.2	T82 P84 F89 Y90	T82-S86 WeakPolarHBondContact O-CB 3.32Å; T82-S86 PolarHBondContact O-N 2.91Å; T82-S86 VanDerWaalsContact O-N 3.12Å; T82-S86 PolarHBondContact O-OG 3.33Å; P84-S86 PolarHBondContact O-N 2.99Å; S86-F89 PolarHBondContact O-N 3.39Å; S86-Y90 WeakPolarHBondContact O-CB 3.39Å; S86-Y90 WeakPolarHBondContact O-CD2 3.11Å; S86-Y90 PolarHBondContact O-N 2.89Å
87	H	67.7	Low	68	Low	45 Å²	45	60.7 Å²	60.7	21%	0.208	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-49.6	-179.5	-174.6	68.9	0	0	0	112.7	I30 G83 P84 V85 F89 Y90 Q91	I30-H87 WeakPolarHBondContact CD1-CD2 3.33Å; I30-H87 HydrophobicContact CG1-CB 4.06Å; G83-H87 PolarHBondContact O-N 3.32Å; G83-H87 VanDerWaalsContact O-N 3.07Å; P84-H87 PolarHBondContact O-N 3.28Å; V85-H87 VanDerWaalsContact C-N 3.32Å; V85-H87 PolarHBondContact O-N 2.94Å; H87-F89 VanDerWaalsContact C-N 3.3Å; H87-F89 PolarHBondContact O-N 3.09Å; H87-Y90 PolarHBondContact O-N 3.19Å; H87-Q91 PolarHBondContact NE2-OE1 2.91Å; H87-Q91 PolarHBondContact O-N 3.36Å
88	I	71	Confident	67.6	Low	98 Å²	98	64 Å²	64	50%	0.503	32%	0.323	S	S	.	.	H	α-helix	trans	-61.2	-43.2	179.1	-67.5	168	0	0	0	110.1	P84 Q91 L92	P84-I88 WeakPolarHBondContact O-CG1 3.48Å; P84-I88 PolarHBondContact O-N 3.37Å; I88-Q91 PolarHBondContact O-N 3.4Å; I88-L92 HydrophobicContact CG2-CD1 3.8Å; I88-L92 WeakPolarHBondContact O-CB 3.33Å; I88-L92 PolarHBondContact O-N 3.34Å
89	F	69.9	Low	67.3	Low	41 Å²	41	69.9 Å²	69.9	18%	0.18	36%	0.359	C	S	.	.	H	α-helix	trans	-65.7	-44.2	-179.5	-166.4	-88.4	0	0	0	112.6	V85 S86 H87 Q91 L92 M93 L111 I115 F116	V85-F89 WeakPolarHBondContact O-CB 3.46Å; V85-F89 PolarHBondContact O-N 3.47Å; S86-F89 PolarHBondContact O-N 3.39Å; H87-F89 VanDerWaalsContact C-N 3.3Å; H87-F89 PolarHBondContact O-N 3.09Å; F89-Q91 VanDerWaalsContact C-N 3.34Å; F89-Q91 PolarHBondContact O-N 3.5Å; F89-L92 PolarHBondContact O-N 3.01Å; F89-M93 HydrophobicContact CE1-SD 4.26Å; F89-M93 WeakPolarHBondContact O-CB 3.26Å; F89-M93 PolarHBondContact O-N 2.95Å; F89-L111 HydrophobicContact CE1-CD2 3.86Å; F89-L111 HydrophobicContact CZ-CD2 3.53Å; F89-I115 HydrophobicContact CE2-CG2 4.37Å; F89-I115 HydrophobicContact CZ-CG2 4.39Å; F89-F116 HydrophobicContact CB-CD2 3.81Å; F89-F116 HydrophobicContact CB-CE2 3.54Å; F89-F116 HydrophobicContact CD1-CB 3.98Å; F89-F116 AromaticContact CD1-CD2 3.2Å; F89-F116 HydrophobicContact CD1-CD2 3.2Å; F89-F116 AromaticContact CD1-CE2 3.76Å; F89-F116 HydrophobicContact CD1-CE2 3.76Å; F89-F116 AromaticContact CD1-CG 3.67Å; F89-F116 HydrophobicContact CD1-CG 3.67Å; F89-F116 AromaticContact CD2-CD2 3.53Å; F89-F116 HydrophobicContact CD2-CD2 3.53Å; F89-F116 HydrophobicContact CD2-CE2 4.08Å; F89-F116 HydrophobicContact CE1-CB 3.41Å; F89-F116 VanDerWaalsContact CE1-CB 3.41Å; F89-F116 AromaticContact CE1-CD2 3.55Å; F89-F116 HydrophobicContact CE1-CD2 3.55Å; F89-F116 AromaticContact CE1-CG 3.66Å; F89-F116 HydrophobicContact CE1-CG 3.66Å; F89-F116 HydrophobicContact CE2-CB 4.24Å; F89-F116 AromaticContact CE2-CD2 3.81Å; F89-F116 HydrophobicContact CE2-CD2 3.81Å; F89-F116 HydrophobicContact CE2-CG 4.48Å; F89-F116 AromaticContact CG-CD2 3.19Å; F89-F116 HydrophobicContact CG-CD2 3.19Å; F89-F116 AromaticContact CG-CE2 3.51Å; F89-F116 HydrophobicContact CG-CE2 3.51Å; F89-F116 HydrophobicContact CG-CG 4.13Å; F89-F116 HydrophobicContact CZ-CB 3.54Å; F89-F116 AromaticContact CZ-CD2 3.82Å; F89-F116 HydrophobicContact CZ-CD2 3.82Å; F89-F116 HydrophobicContact CZ-CG 4.06Å
90	Y	67.1	Low	67.3	Low	92 Å²	92	72.3 Å²	72.3	36%	0.361	38%	0.377	S	S	.	.	H	α-helix	trans	-65.6	-36.6	177.3	-76.1	-58.5	0	0	0	112.3	S86 H87 M93 E94 D112	S86-Y90 WeakPolarHBondContact O-CB 3.39Å; S86-Y90 WeakPolarHBondContact O-CD2 3.11Å; S86-Y90 PolarHBondContact O-N 2.89Å; H87-Y90 PolarHBondContact O-N 3.19Å; Y90-M93 HydrophobicContact CD1-CE 4.15Å; Y90-M93 HydrophobicContact CE1-CE 4.32Å; Y90-M93 PolarHBondContact O-N 3.44Å; Y90-E94 WeakPolarHBondContact O-CG 3.34Å; Y90-E94 PolarHBondContact O-N 3.06Å; Y90-D112 PolarHBondContact OH-OD1 2.99Å
91	Q	69.3	Low	67.3	Low	103 Å²	103	70 Å²	70	48%	0.481	37%	0.366	S	S	.	.	H	α-helix	trans	-63.5	-46.8	172.3	-85.5	-171.1	-52.9	0	0	112.2	H87 I88 F89 M93 E94 V95	H87-Q91 PolarHBondContact NE2-OE1 2.91Å; H87-Q91 PolarHBondContact O-N 3.36Å; I88-Q91 PolarHBondContact O-N 3.4Å; F89-Q91 VanDerWaalsContact C-N 3.34Å; F89-Q91 PolarHBondContact O-N 3.5Å; Q91-M93 VanDerWaalsContact C-N 3.26Å; Q91-M93 PolarHBondContact O-N 3Å; Q91-E94 PolarHBondContact O-N 2.89Å; Q91-V95 WeakPolarHBondContact O-CG2 3.4Å; Q91-V95 PolarHBondContact O-N 3.43Å; Q91-V95 VanDerWaalsContact O-N 3.09Å
92	L	70.7	Confident	67.2	Low	82 Å²	82	74 Å²	74	43%	0.429	39%	0.394	S	S	.	.	H	α-helix	trans	-58.2	-41.4	175.3	-82.2	159.6	0	0	0	111.4	I88 F89 E94 V95 W96	I88-L92 HydrophobicContact CG2-CD1 3.8Å; I88-L92 WeakPolarHBondContact O-CB 3.33Å; I88-L92 PolarHBondContact O-N 3.34Å; F89-L92 PolarHBondContact O-N 3.01Å; L92-E94 VanDerWaalsContact C-N 3.33Å; L92-E94 PolarHBondContact O-N 2.93Å; L92-V95 PolarHBondContact O-N 3.38Å; L92-W96 WeakPolarHBondContact O-CB 3.44Å; L92-W96 VanDerWaalsContact O-CD1 3.31Å; L92-W96 PolarHBondContact O-N 3.42Å
93	M	65.6	Low	67.5	Low	18 Å²	18	78.4 Å²	78.4	9%	0.089	42%	0.417	C	S	.	.	H	α-helix	trans	-67.6	-33.3	179.2	-158.6	175	78.7	0	0	112.6	F89 Y90 Q91 M97 R108 L111	F89-M93 HydrophobicContact CE1-SD 4.26Å; F89-M93 WeakPolarHBondContact O-CB 3.26Å; F89-M93 PolarHBondContact O-N 2.95Å; Y90-M93 HydrophobicContact CD1-CE 4.15Å; Y90-M93 HydrophobicContact CE1-CE 4.32Å; Y90-M93 PolarHBondContact O-N 3.44Å; Q91-M93 VanDerWaalsContact C-N 3.26Å; Q91-M93 PolarHBondContact O-N 3Å; M93-M97 HydrophobicContact CG-CE 4.06Å; M93-M97 PolarHBondContact O-N 3.39Å; M93-M97 VanDerWaalsContact O-N 3.11Å; M93-R108 HydrophobicContact CE-CB 3.75Å; M93-R108 HydrophobicContact CE-CG 3.87Å; M93-R108 HydrophobicContact CG-CG 4.27Å; M93-R108 HydrophobicContact SD-CB 4.23Å; M93-R108 HydrophobicContact SD-CG 4.35Å; M93-L111 HydrophobicContact CG-CD2 4.17Å; M93-L111 HydrophobicContact SD-CD2 4.07Å
94	E	67.8	Low	67.8	Low	121 Å²	121	78.5 Å²	78.5	57%	0.565	42%	0.417	S	S	*	.	H	α-helix	trans	-67.9	-37.1	173	-78.3	-177.1	172.1	0	0	112.7	Y90 Q91 L92	Y90-E94 WeakPolarHBondContact O-CG 3.34Å; Y90-E94 PolarHBondContact O-N 3.06Å; Q91-E94 PolarHBondContact O-N 2.89Å; L92-E94 VanDerWaalsContact C-N 3.33Å; L92-E94 PolarHBondContact O-N 2.93Å
95	V	70.5	Confident	67.7	Low	116 Å²	116	82.6 Å²	82.6	70%	0.703	44%	0.435	S	S	*	.	H	α-helix	trans	-70.9	-41.4	176.3	175.7	0	0	0	0	111.4	Q91 L92	Q91-V95 WeakPolarHBondContact O-CG2 3.4Å; Q91-V95 PolarHBondContact O-N 3.43Å; Q91-V95 VanDerWaalsContact O-N 3.09Å; L92-V95 PolarHBondContact O-N 3.38Å
96	W	67.2	Low	67.9	Low	177 Å²	177	84.2 Å²	84.2	67%	0.67	45%	0.445	S	S	*	.	H	α-helix	trans	-76.1	-24.4	-176.9	-71.8	16.4	0	0	0	113.3	L92	L92-W96 WeakPolarHBondContact O-CB 3.44Å; L92-W96 VanDerWaalsContact O-CD1 3.31Å; L92-W96 PolarHBondContact O-N 3.42Å
97	M	64.9	Low	68.3	Low	25 Å²	25	87.5 Å²	87.5	12%	0.123	46%	0.457	C	S	.	.	S	Bend	trans	-133.6	82.2	-178.5	-72.1	-172.5	-108.7	0	0	111.4	M93 C104 K107 R108 L111	M93-M97 HydrophobicContact CG-CE 4.06Å; M93-M97 PolarHBondContact O-N 3.39Å; M93-M97 VanDerWaalsContact O-N 3.11Å; M97-C104 PolarHBondContact O-SG 2.93Å; M97-C104 VanDerWaalsContact O-SG 3.34Å; M97-K107 HydrophobicContact CE-CB 4.47Å; M97-K107 VanDerWaalsContact SD-C 3.53Å; M97-K107 HydrophobicContact SD-CB 3.33Å; M97-K107 WeakPolarHBondContact SD-CB 3.41Å; M97-R108 HydrophobicContact CB-CG 4.01Å; M97-R108 HydrophobicContact CE-CG 4.11Å; M97-R108 PolarHBondContact O-NE 2.94Å; M97-R108 PolarHBondContact O-NH2 3.28Å; M97-R108 HydrophobicContact SD-CB 4.38Å; M97-R108 HydrophobicContact SD-CG 3.7Å; M97-R108 PolarHBondContact SD-N 3.38Å; M97-R108 VanDerWaalsContact SD-N 3.41Å; M97-L111 HydrophobicContact CE-CB 3.66Å; M97-L111 HydrophobicContact CE-CD1 3.47Å; M97-L111 VanDerWaalsContact CE-CD1 3.47Å; M97-L111 HydrophobicContact CE-CD2 4.45Å; M97-L111 HydrophobicContact CE-CG 4.02Å
98	P	62.9	Low	68.6	Low	71 Å²	71	87.8 Å²	87.8	46%	0.461	46%	0.456	S	S	.	.			trans	-60.2	148.1	175.7	23.1	-31.9	0	0	0	111.7	T100 D101 C104	P98-T100 PolarHBondContact O-N 3.48Å; P98-D101 PolarHBondContact O-N 3.49Å; P98-C104 PolarHBondContact O-SG 2.99Å
99	T	61.1	Low	68.7	Low	122 Å²	122	86.5 Å²	86.5	75%	0.748	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-0.6	-176.5	37	0	0	0	0	114.6	D101	T99-D101 VanDerWaalsContact C-N 3.28Å
100	T	64.3	Low	69.1	Low	125 Å²	125	88.7 Å²	88.7	77%	0.767	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.9	177.1	36	0	0	0	0	113.5	P98	P98-T100 PolarHBondContact O-N 3.48Å
101	D	68.2	Low	69.6	Low	61 Å²	61	85.9 Å²	85.9	33%	0.326	45%	0.454	S	S	.	.	S	Bend	trans	-89.1	122.1	-178.9	-163.2	-11.8	0	0	0	110.7	P98 T99 L103 C104 K107	P98-D101 PolarHBondContact O-N 3.49Å; T99-D101 VanDerWaalsContact C-N 3.28Å; D101-L103 PolarHBondContact O-N 2.86Å; D101-L103 VanDerWaalsContact O-N 3.15Å; D101-L103 PolarHBondContact OD1-N 3.19Å; D101-C104 HydrophobicContact CB-CB 4.15Å; D101-C104 WeakPolarHBondContact O-CB 3.49Å; D101-C104 PolarHBondContact O-N 2.92Å; D101-K107 IonicContact OD2-NZ 2.73Å; D101-K107 PolarHBondContact OD2-NZ 3.44Å
102	P	67.6	Low	69.7	Low	123 Å²	123	81.9 Å²	81.9	80%	0.799	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.1	179.9	21.9	-32.6	0	0	0	113.4
103	L	72.8	Confident	70	Confident	103 Å²	103	79.5 Å²	79.5	54%	0.539	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	3.7	174	-64.4	177.2	0	0	0	113.6	D101 I105 V106 K107	D101-L103 PolarHBondContact O-N 2.86Å; D101-L103 VanDerWaalsContact O-N 3.15Å; D101-L103 PolarHBondContact OD1-N 3.19Å; L103-I105 VanDerWaalsContact C-N 3.25Å; L103-I105 PolarHBondContact O-N 3.29Å; L103-V106 PolarHBondContact O-N 2.88Å; L103-V106 VanDerWaalsContact O-N 3.13Å; L103-K107 WeakPolarHBondContact O-CG 3.32Å; L103-K107 PolarHBondContact O-N 3.46Å
104	C	71	Confident	70.5	Confident	8 Å²	8	83.6 Å²	83.6	5%	0.054	44%	0.443	C	S	.	.	H	α-helix	trans	-54.4	-40.5	-176.5	-177	0	0	0	0	112.3	M97 P98 D101 V106 K107 R108	M97-C104 PolarHBondContact O-SG 2.93Å; M97-C104 VanDerWaalsContact O-SG 3.34Å; P98-C104 PolarHBondContact O-SG 2.99Å; D101-C104 HydrophobicContact CB-CB 4.15Å; D101-C104 WeakPolarHBondContact O-CB 3.49Å; D101-C104 PolarHBondContact O-N 2.92Å; C104-V106 PolarHBondContact O-N 3.26Å; C104-K107 PolarHBondContact O-N 3.46Å; C104-R108 WeakPolarHBondContact O-CB 3Å; C104-R108 WeakPolarHBondContact O-CG 3.48Å; C104-R108 PolarHBondContact O-N 3.44Å; C104-R108 VanDerWaalsContact SG-CD 3.57Å; C104-R108 PolarHBondContact SG-NE 3.13Å
105	I	68	Low	70.9	Confident	133 Å²	133	82.3 Å²	82.3	68%	0.682	44%	0.439	S	S	*	.	H	α-helix	trans	-63.2	-44.5	-179.3	-61	173.2	0	0	0	111.3	L103 L109	L103-I105 VanDerWaalsContact C-N 3.25Å; L103-I105 PolarHBondContact O-N 3.29Å; I105-L109 VanDerWaalsContact O-CB 3.28Å; I105-L109 WeakPolarHBondContact O-CB 3.37Å; I105-L109 PolarHBondContact O-N 3.37Å
106	V	73.5	Confident	71.1	Confident	83 Å²	83	77.8 Å²	77.8	50%	0.503	41%	0.41	S	S	.	.	H	α-helix	trans	-70.3	-44.2	-179.1	-179.7	0	0	0	0	110.5	L103 C104 L109 L110	L103-V106 PolarHBondContact O-N 2.88Å; L103-V106 VanDerWaalsContact O-N 3.13Å; C104-V106 PolarHBondContact O-N 3.26Å; V106-L109 PolarHBondContact O-N 3.07Å; V106-L110 HydrophobicContact CG1-CD1 4.16Å; V106-L110 HydrophobicContact CG1-CG 4.47Å; V106-L110 WeakPolarHBondContact O-CG 3.38Å; V106-L110 PolarHBondContact O-N 3.25Å
107	K	73.6	Confident	71.5	Confident	91 Å²	91	69.9 Å²	69.9	40%	0.396	38%	0.382	S	S	.	.	H	α-helix	trans	-63.2	-43.7	177.6	-66.7	177.2	-178.6	172.3	0	111.8	M97 D101 L103 C104 L109 L110 L111	M97-K107 HydrophobicContact CE-CB 4.47Å; M97-K107 VanDerWaalsContact SD-C 3.53Å; M97-K107 HydrophobicContact SD-CB 3.33Å; M97-K107 WeakPolarHBondContact SD-CB 3.41Å; D101-K107 IonicContact OD2-NZ 2.73Å; D101-K107 PolarHBondContact OD2-NZ 3.44Å; L103-K107 WeakPolarHBondContact O-CG 3.32Å; L103-K107 PolarHBondContact O-N 3.46Å; C104-K107 PolarHBondContact O-N 3.46Å; K107-L109 VanDerWaalsContact C-N 3.34Å; K107-L109 PolarHBondContact O-N 3.11Å; K107-L110 PolarHBondContact O-N 3.21Å; K107-L111 WeakPolarHBondContact O-CB 3.43Å; K107-L111 PolarHBondContact O-N 3.37Å
108	R	73	Confident	72.1	Confident	50 Å²	50	69.5 Å²	69.5	19%	0.189	38%	0.382	C	S	.	.	H	α-helix	trans	-60.8	-43	174.5	-76.8	179.7	174.8	-147.6	6.3	111.4	M93 M97 C104 L111 D112	M93-R108 HydrophobicContact CE-CB 3.75Å; M93-R108 HydrophobicContact CE-CG 3.87Å; M93-R108 HydrophobicContact CG-CG 4.27Å; M93-R108 HydrophobicContact SD-CB 4.23Å; M93-R108 HydrophobicContact SD-CG 4.35Å; M97-R108 HydrophobicContact CB-CG 4.01Å; M97-R108 HydrophobicContact CE-CG 4.11Å; M97-R108 PolarHBondContact O-NE 2.94Å; M97-R108 PolarHBondContact O-NH2 3.28Å; M97-R108 HydrophobicContact SD-CB 4.38Å; M97-R108 HydrophobicContact SD-CG 3.7Å; M97-R108 PolarHBondContact SD-N 3.38Å; M97-R108 VanDerWaalsContact SD-N 3.41Å; C104-R108 WeakPolarHBondContact O-CB 3Å; C104-R108 WeakPolarHBondContact O-CG 3.48Å; C104-R108 PolarHBondContact O-N 3.44Å; C104-R108 VanDerWaalsContact SG-CD 3.57Å; C104-R108 PolarHBondContact SG-NE 3.13Å; R108-L111 PolarHBondContact O-N 3.15Å; R108-D112 WeakPolarHBondContact O-CB 3.37Å; R108-D112 PolarHBondContact O-N 3.44Å
109	L	74	Confident	72.9	Confident	71 Å²	71	68 Å²	68	37%	0.372	38%	0.378	S	S	.	.	H	α-helix	trans	-66.3	-41.9	177.7	-173.2	136.5	0	0	0	112	I105 V106 K107 R113	I105-L109 VanDerWaalsContact O-CB 3.28Å; I105-L109 WeakPolarHBondContact O-CB 3.37Å; I105-L109 PolarHBondContact O-N 3.37Å; V106-L109 PolarHBondContact O-N 3.07Å; K107-L109 VanDerWaalsContact C-N 3.34Å; K107-L109 PolarHBondContact O-N 3.11Å; L109-R113 HydrophobicContact CD2-CG 4.37Å; L109-R113 HydrophobicContact CG-CG 4.49Å; L109-R113 WeakPolarHBondContact O-CB 3.48Å; L109-R113 WeakPolarHBondContact O-CG 3.45Å; L109-R113 PolarHBondContact O-N 3.17Å
110	L	78	Confident	73.7	Confident	88 Å²	88	64 Å²	64	46%	0.461	35%	0.351	S	S	.	.	H	α-helix	trans	-63.6	-42.3	175	-73.6	173.3	0	0	0	111.5	V106 K107 R113 L114	V106-L110 HydrophobicContact CG1-CD1 4.16Å; V106-L110 HydrophobicContact CG1-CG 4.47Å; V106-L110 WeakPolarHBondContact O-CG 3.38Å; V106-L110 PolarHBondContact O-N 3.25Å; K107-L110 PolarHBondContact O-N 3.21Å; L110-R113 PolarHBondContact O-N 2.9Å; L110-L114 HydrophobicContact CD2-CD1 4.47Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 VanDerWaalsContact O-CG 3.31Å; L110-L114 WeakPolarHBondContact O-CG 3.25Å; L110-L114 PolarHBondContact O-N 3.48Å
111	L	78.4	Confident	74.3	Confident	32 Å²	32	58.5 Å²	58.5	17%	0.168	32%	0.317	C	S	.	.	H	α-helix	trans	-67.4	-41.5	179.6	-162.5	141	0	0	0	111.7	F89 M93 M97 K107 R108 R113 I115 F116	F89-L111 HydrophobicContact CE1-CD2 3.86Å; F89-L111 HydrophobicContact CZ-CD2 3.53Å; M93-L111 HydrophobicContact CG-CD2 4.17Å; M93-L111 HydrophobicContact SD-CD2 4.07Å; M97-L111 HydrophobicContact CE-CB 3.66Å; M97-L111 HydrophobicContact CE-CD1 3.47Å; M97-L111 VanDerWaalsContact CE-CD1 3.47Å; M97-L111 HydrophobicContact CE-CD2 4.45Å; M97-L111 HydrophobicContact CE-CG 4.02Å; K107-L111 WeakPolarHBondContact O-CB 3.43Å; K107-L111 PolarHBondContact O-N 3.37Å; R108-L111 PolarHBondContact O-N 3.15Å; L111-R113 VanDerWaalsContact C-N 3.34Å; L111-R113 PolarHBondContact O-N 3.06Å; L111-I115 HydrophobicContact CD1-CD1 4.13Å; L111-I115 HydrophobicContact CD2-CB 4.49Å; L111-I115 HydrophobicContact CD2-CD1 4.48Å; L111-I115 HydrophobicContact CG-CB 4.45Å; L111-I115 HydrophobicContact CG-CD1 3.85Å; L111-I115 HydrophobicContact CG-CG1 4.25Å; L111-I115 WeakPolarHBondContact O-CA 3.48Å; L111-I115 VanDerWaalsContact O-CB 3.29Å; L111-I115 WeakPolarHBondContact O-CB 3.45Å; L111-I115 PolarHBondContact O-N 2.84Å; L111-F116 PolarHBondContact O-N 3.37Å
112	D	71.5	Confident	74.9	Confident	19 Å²	19	58.7 Å²	58.7	10%	0.102	32%	0.317	C	S	.	.	I	π-helix	trans	-60.5	-43.8	172.3	-173.1	97.1	0	0	0	110.9	Y90 R108 F116 A117	Y90-D112 PolarHBondContact OH-OD1 2.99Å; R108-D112 WeakPolarHBondContact O-CB 3.37Å; R108-D112 PolarHBondContact O-N 3.44Å; D112-F116 CarbonylContact O-C 3.43Å; D112-F116 VanDerWaalsContact O-CB 3.24Å; D112-F116 WeakPolarHBondContact O-CB 3.29Å; D112-F116 PolarHBondContact O-N 3.39Å; D112-A117 PolarHBondContact O-N 3.28Å
113	R	75.4	Confident	75.5	Confident	32 Å²	32	55.4 Å²	55.4	12%	0.121	29%	0.292	C	S	.	.	I	π-helix	trans	-77.6	-33.3	-177.3	-63.4	-65.9	166.5	-155.5	-8.3	114.4	L109 L110 L111 P118 N154 W155 W158 T162	L109-R113 HydrophobicContact CD2-CG 4.37Å; L109-R113 HydrophobicContact CG-CG 4.49Å; L109-R113 WeakPolarHBondContact O-CB 3.48Å; L109-R113 WeakPolarHBondContact O-CG 3.45Å; L109-R113 PolarHBondContact O-N 3.17Å; L110-R113 PolarHBondContact O-N 2.9Å; L111-R113 VanDerWaalsContact C-N 3.34Å; L111-R113 PolarHBondContact O-N 3.06Å; R113-P118 WeakPolarHBondContact O-CD 3.38Å; R113-N154 PolarHBondContact NH1-OD1 2.81Å; R113-W155 PolarHBondContact O-NE1 2.8Å; R113-W158 VanDerWaalsContact CZ-CB 3.49Å; R113-T162 PolarHBondContact NH2-OG1 3.46Å
114	L	76.7	Confident	75.8	Confident	105 Å²	105	50.6 Å²	50.6	55%	0.55	27%	0.267	S	S	.	.	I	π-helix	trans	-97.8	-21.5	-174.6	-64.3	177	0	0	0	114.1	L110 P118 W155	L110-L114 HydrophobicContact CD2-CD1 4.47Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 VanDerWaalsContact O-CG 3.31Å; L110-L114 WeakPolarHBondContact O-CG 3.25Å; L110-L114 PolarHBondContact O-N 3.48Å; L114-P118 VanDerWaalsContact C-CG 3.44Å; L114-P118 WeakPolarHBondContact O-CG 3.44Å; L114-W155 HydrophobicContact CD2-CH2 4.41Å; L114-W155 HydrophobicContact CD2-CZ2 4.14Å
115	I	75.9	Confident	76.1	Confident	94 Å²	94	50.7 Å²	50.7	48%	0.482	27%	0.267	S	S	.	.	I	π-helix	trans	-117.2	-53.8	-178.8	-51.8	-169.4	0	0	0	110.1	F89 L111 P118 G119	F89-I115 HydrophobicContact CE2-CG2 4.37Å; F89-I115 HydrophobicContact CZ-CG2 4.39Å; L111-I115 HydrophobicContact CD1-CD1 4.13Å; L111-I115 HydrophobicContact CD2-CB 4.49Å; L111-I115 HydrophobicContact CD2-CD1 4.48Å; L111-I115 HydrophobicContact CG-CB 4.45Å; L111-I115 HydrophobicContact CG-CD1 3.85Å; L111-I115 HydrophobicContact CG-CG1 4.25Å; L111-I115 WeakPolarHBondContact O-CA 3.48Å; L111-I115 VanDerWaalsContact O-CB 3.29Å; L111-I115 WeakPolarHBondContact O-CB 3.45Å; L111-I115 PolarHBondContact O-N 2.84Å; I115-P118 WeakPolarHBondContact O-CD 3.13Å; I115-P118 WeakPolarHBondContact O-CG 3.24Å; I115-G119 PolarHBondContact O-N 2.81Å
116	F	74.8	Confident	76.6	Confident	21 Å²	21	47.4 Å²	47.4	9%	0.092	25%	0.25	C	S	.	.	I	π-helix	trans	-68	-54.2	-175.5	-168.8	-117.1	0	0	0	112.3	F89 L111 D112 G119 F120	F89-F116 HydrophobicContact CB-CD2 3.81Å; F89-F116 HydrophobicContact CB-CE2 3.54Å; F89-F116 HydrophobicContact CD1-CB 3.98Å; F89-F116 AromaticContact CD1-CD2 3.2Å; F89-F116 HydrophobicContact CD1-CD2 3.2Å; F89-F116 AromaticContact CD1-CE2 3.76Å; F89-F116 HydrophobicContact CD1-CE2 3.76Å; F89-F116 AromaticContact CD1-CG 3.67Å; F89-F116 HydrophobicContact CD1-CG 3.67Å; F89-F116 AromaticContact CD2-CD2 3.53Å; F89-F116 HydrophobicContact CD2-CD2 3.53Å; F89-F116 HydrophobicContact CD2-CE2 4.08Å; F89-F116 HydrophobicContact CE1-CB 3.41Å; F89-F116 VanDerWaalsContact CE1-CB 3.41Å; F89-F116 AromaticContact CE1-CD2 3.55Å; F89-F116 HydrophobicContact CE1-CD2 3.55Å; F89-F116 AromaticContact CE1-CG 3.66Å; F89-F116 HydrophobicContact CE1-CG 3.66Å; F89-F116 HydrophobicContact CE2-CB 4.24Å; F89-F116 AromaticContact CE2-CD2 3.81Å; F89-F116 HydrophobicContact CE2-CD2 3.81Å; F89-F116 HydrophobicContact CE2-CG 4.48Å; F89-F116 AromaticContact CG-CD2 3.19Å; F89-F116 HydrophobicContact CG-CD2 3.19Å; F89-F116 AromaticContact CG-CE2 3.51Å; F89-F116 HydrophobicContact CG-CE2 3.51Å; F89-F116 HydrophobicContact CG-CG 4.13Å; F89-F116 HydrophobicContact CZ-CB 3.54Å; F89-F116 AromaticContact CZ-CD2 3.82Å; F89-F116 HydrophobicContact CZ-CD2 3.82Å; F89-F116 HydrophobicContact CZ-CG 4.06Å; L111-F116 PolarHBondContact O-N 3.37Å; D112-F116 CarbonylContact O-C 3.43Å; D112-F116 VanDerWaalsContact O-CB 3.24Å; D112-F116 WeakPolarHBondContact O-CB 3.29Å; D112-F116 PolarHBondContact O-N 3.39Å; F116-G119 PolarHBondContact O-N 3Å; F116-F120 HydrophobicContact CZ-CD2 4.1Å; F116-F120 HydrophobicContact CZ-CG 4.47Å; F116-F120 WeakPolarHBondContact O-CB 3.32Å; F116-F120 PolarHBondContact O-N 2.98Å
117	A	75.1	Confident	76.8	Confident	11 Å²	11	44.6 Å²	44.6	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-56.3	-48.4	-178.9	0	0	0	0	0	113.3	D112 L121 L151	D112-A117 PolarHBondContact O-N 3.28Å; A117-L121 WeakPolarHBondContact O-CB 3.4Å; A117-L121 PolarHBondContact O-N 2.67Å; A117-L151 HydrophobicContact CB-CD1 4.43Å
118	P	78.8	Confident	76.9	Confident	17 Å²	17	40.4 Å²	40.4	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-43.3	176	19.9	-27.1	0	0	0	113	R113 L114 I115 L121 L122 Y147 L151	R113-P118 WeakPolarHBondContact O-CD 3.38Å; L114-P118 VanDerWaalsContact C-CG 3.44Å; L114-P118 WeakPolarHBondContact O-CG 3.44Å; I115-P118 WeakPolarHBondContact O-CD 3.13Å; I115-P118 WeakPolarHBondContact O-CG 3.24Å; P118-L121 PolarHBondContact O-N 3.2Å; P118-L122 WeakPolarHBondContact O-CB 3.36Å; P118-L122 PolarHBondContact O-N 3.35Å; P118-Y147 VanDerWaalsContact CA-OH 3.3Å; P118-Y147 WeakPolarHBondContact CA-OH 3.39Å; P118-Y147 WeakPolarHBondContact CB-OH 3.31Å; P118-Y147 PolarHBondContact O-OH 3Å; P118-Y147 VanDerWaalsContact O-OH 3.14Å; P118-L151 HydrophobicContact CB-CD1 4.04Å; P118-L151 HydrophobicContact CB-CD2 4.07Å
119	G	80.3	Confident	77.2	Confident	38 Å²	38	38.9 Å²	38.9	39%	0.392	21%	0.211	S	C	.	.	H	α-helix	trans	-63.1	-43.1	178.1	0	0	0	0	0	112.7	I115 F116 L122 L123	I115-G119 PolarHBondContact O-N 2.81Å; F116-G119 PolarHBondContact O-N 3Å; G119-L122 WeakPolarHBondContact O-CB 3.31Å; G119-L122 PolarHBondContact O-N 2.76Å; G119-L123 WeakPolarHBondContact O-CB 3.2Å; G119-L123 PolarHBondContact O-N 3.02Å
120	F	76.3	Confident	77.4	Confident	40 Å²	40	41 Å²	41	18%	0.175	22%	0.221	C	C	.	.	H	α-helix	trans	-66.1	-41.4	177.1	-173.5	-96.8	0	0	0	111.9	F77 T82 F116 L123 F124	F77-F120 HydrophobicContact CE1-CE1 4.38Å; F77-F120 AromaticContact CE1-CZ 3.85Å; F77-F120 HydrophobicContact CE1-CZ 3.85Å; F77-F120 HydrophobicContact CZ-CE2 4.37Å; F77-F120 AromaticContact CZ-CZ 3.99Å; F77-F120 HydrophobicContact CZ-CZ 3.99Å; T82-F120 HydrophobicContact CG2-CE2 3.85Å; T82-F120 HydrophobicContact CG2-CZ 3.49Å; T82-F120 VanDerWaalsContact CG2-CZ 3.49Å; F116-F120 HydrophobicContact CZ-CD2 4.1Å; F116-F120 HydrophobicContact CZ-CG 4.47Å; F116-F120 WeakPolarHBondContact O-CB 3.32Å; F116-F120 PolarHBondContact O-N 2.98Å; F120-L123 PolarHBondContact O-N 2.88Å; F120-F124 WeakPolarHBondContact O-CB 3.46Å; F120-F124 PolarHBondContact O-N 3.03Å
121	L	77.7	Confident	77.2	Confident	9 Å²	9	39.4 Å²	39.4	5%	0.047	21%	0.213	C	C	.	.	H	α-helix	trans	-66.3	-41.5	176.6	-168.4	70.4	0	0	0	111.1	A117 P118 F124 Y125 Y147 A150 L151 L189	A117-L121 WeakPolarHBondContact O-CB 3.4Å; A117-L121 PolarHBondContact O-N 2.67Å; P118-L121 PolarHBondContact O-N 3.2Å; L121-F124 WeakPolarHBondContact O-CB 3.22Å; L121-F124 PolarHBondContact O-N 3.45Å; L121-Y125 HydrophobicContact CD1-CD2 4.39Å; L121-Y125 HydrophobicContact CD1-CE2 4Å; L121-Y125 HydrophobicContact CD2-CE2 4.45Å; L121-Y125 HydrophobicContact CG-CD2 4.09Å; L121-Y125 HydrophobicContact CG-CE2 3.93Å; L121-Y125 VanDerWaalsContact O-CD2 3.26Å; L121-Y125 WeakPolarHBondContact O-CD2 3.33Å; L121-Y125 PolarHBondContact O-N 2.91Å; L121-Y147 HydrophobicContact CB-CE2 4.07Å; L121-Y147 HydrophobicContact CD2-CD2 3.85Å; L121-Y147 HydrophobicContact CD2-CE2 3.86Å; L121-Y147 HydrophobicContact CG-CD2 4.16Å; L121-Y147 HydrophobicContact CG-CE2 4.1Å; L121-A150 HydrophobicContact CD1-CB 4.48Å; L121-A150 HydrophobicContact CD2-CB 3.92Å; L121-L151 HydrophobicContact CD2-CB 4Å; L121-L151 HydrophobicContact CD2-CD1 4.42Å; L121-L189 HydrophobicContact CD1-CD2 3.79Å
122	L	80.6	Confident	76.9	Confident	65 Å²	65	40.2 Å²	40.2	34%	0.34	22%	0.216	S	C	.	.	H	α-helix	trans	-57.6	-49.4	172.1	-88.4	167.1	0	0	0	111.4	P118 G119 F124 Y125 L126 M143 Y147	P118-L122 WeakPolarHBondContact O-CB 3.36Å; P118-L122 PolarHBondContact O-N 3.35Å; G119-L122 WeakPolarHBondContact O-CB 3.31Å; G119-L122 PolarHBondContact O-N 2.76Å; L122-F124 VanDerWaalsContact C-N 3.3Å; L122-F124 PolarHBondContact O-N 2.95Å; L122-Y125 PolarHBondContact O-N 2.87Å; L122-L126 WeakPolarHBondContact O-CB 3.19Å; L122-L126 PolarHBondContact O-N 2.86Å; L122-M143 HydrophobicContact CD2-CG 4.27Å; L122-M143 HydrophobicContact CD2-SD 3.36Å; L122-M143 WeakPolarHBondContact CD2-SD 3.33Å; L122-Y147 HydrophobicContact CB-CE2 4.42Å; L122-Y147 HydrophobicContact CD1-CE2 4.47Å; L122-Y147 HydrophobicContact CD2-CD2 4.41Å; L122-Y147 HydrophobicContact CD2-CE2 4.07Å; L122-Y147 HydrophobicContact CG-CD2 4.38Å; L122-Y147 HydrophobicContact CG-CE2 3.59Å
123	L	80.3	Confident	77.1	Confident	53 Å²	53	43.8 Å²	43.8	28%	0.277	25%	0.248	S	C	.	.	H	α-helix	trans	-60.2	-41.6	178.7	-172.6	67.1	0	0	0	111.5	I81 V85 G119 F120 L126 V127	I81-L123 HydrophobicContact CG2-CD2 3.46Å; I81-L123 VanDerWaalsContact CG2-CD2 3.46Å; I81-L123 HydrophobicContact CG2-CG 4Å; V85-L123 HydrophobicContact CB-CD2 4.49Å; V85-L123 HydrophobicContact CG1-CD2 4.09Å; V85-L123 HydrophobicContact CG2-CD2 3.95Å; G119-L123 WeakPolarHBondContact O-CB 3.2Å; G119-L123 PolarHBondContact O-N 3.02Å; F120-L123 PolarHBondContact O-N 2.88Å; L123-L126 PolarHBondContact O-N 2.64Å; L123-V127 HydrophobicContact CD1-CG2 4.27Å; L123-V127 HydrophobicContact CG-CG2 4.38Å; L123-V127 WeakPolarHBondContact O-CB 3.38Å; L123-V127 VanDerWaalsContact O-CG2 3.3Å; L123-V127 WeakPolarHBondContact O-CG2 3.22Å; L123-V127 PolarHBondContact O-N 2.99Å
124	F	78.6	Confident	77.1	Confident	3 Å²	3	46 Å²	46	1%	0.013	26%	0.258	C	S	.	.	H	α-helix	trans	-57.5	-52.3	173.8	169.6	-99.5	0	0	0	112.1	Y74 F77 F120 L121 L122 L126 M128 L189	Y74-F124 AromaticContact CD1-CE2 3.96Å; Y74-F124 HydrophobicContact CD1-CE2 3.96Å; Y74-F124 HydrophobicContact CD1-CZ 4.33Å; Y74-F124 AromaticContact CE1-CE2 3.46Å; Y74-F124 HydrophobicContact CE1-CE2 3.46Å; Y74-F124 VanDerWaalsContact CE1-CE2 3.46Å; Y74-F124 AromaticContact CE1-CZ 3.39Å; Y74-F124 HydrophobicContact CE1-CZ 3.39Å; Y74-F124 AromaticContact CZ-CZ 3.83Å; F77-F124 AromaticContact CD1-CD2 3.78Å; F77-F124 HydrophobicContact CD1-CD2 3.78Å; F77-F124 HydrophobicContact CD1-CE2 4.33Å; F77-F124 HydrophobicContact CD2-CD2 4.47Å; F77-F124 HydrophobicContact CE1-CB 4.16Å; F77-F124 AromaticContact CE1-CD2 3.52Å; F77-F124 HydrophobicContact CE1-CD2 3.52Å; F77-F124 HydrophobicContact CE1-CE2 4.43Å; F77-F124 HydrophobicContact CE1-CG 4.32Å; F77-F124 HydrophobicContact CE2-CB 4.19Å; F77-F124 HydrophobicContact CE2-CD2 4.24Å; F77-F124 HydrophobicContact CG-CD2 4.27Å; F77-F124 HydrophobicContact CZ-CB 3.64Å; F77-F124 AromaticContact CZ-CD2 3.77Å; F77-F124 HydrophobicContact CZ-CD2 3.77Å; F77-F124 HydrophobicContact CZ-CG 4.22Å; F120-F124 WeakPolarHBondContact O-CB 3.46Å; F120-F124 PolarHBondContact O-N 3.03Å; L121-F124 WeakPolarHBondContact O-CB 3.22Å; L121-F124 PolarHBondContact O-N 3.45Å; L122-F124 VanDerWaalsContact C-N 3.3Å; L122-F124 PolarHBondContact O-N 2.95Å; F124-L126 VanDerWaalsContact C-N 3.3Å; F124-L126 PolarHBondContact O-N 3.31Å; F124-M128 HydrophobicContact CE2-CE 4.22Å; F124-M128 HydrophobicContact CE2-CG 4.14Å; F124-M128 HydrophobicContact CE2-SD 4.28Å; F124-M128 HydrophobicContact CZ-CG 4.24Å; F124-M128 WeakPolarHBondContact O-CB 3.03Å; F124-M128 PolarHBondContact O-N 3.49Å; F124-L189 HydrophobicContact CE1-CD1 4.46Å
125	Y	77.1	Confident	77.1	Confident	9 Å²	9	43.4 Å²	43.4	4%	0.035	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-38.1	179.3	-85.1	-80.6	0	0	0	112.1	L121 L122 N129 R193	L121-Y125 HydrophobicContact CD1-CD2 4.39Å; L121-Y125 HydrophobicContact CD1-CE2 4Å; L121-Y125 HydrophobicContact CD2-CE2 4.45Å; L121-Y125 HydrophobicContact CG-CD2 4.09Å; L121-Y125 HydrophobicContact CG-CE2 3.93Å; L121-Y125 VanDerWaalsContact O-CD2 3.26Å; L121-Y125 WeakPolarHBondContact O-CD2 3.33Å; L121-Y125 PolarHBondContact O-N 2.91Å; L122-Y125 PolarHBondContact O-N 2.87Å; Y125-N129 VanDerWaalsContact O-CB 3.28Å; Y125-N129 WeakPolarHBondContact O-CB 3.39Å; Y125-N129 PolarHBondContact O-N 3.22Å; Y125-R193 HydrophobicContact CD1-CG 4.43Å; Y125-R193 HydrophobicContact CE1-CG 3.95Å
126	L	79.7	Confident	77.3	Confident	65 Å²	65	46.6 Å²	46.6	34%	0.34	26%	0.263	S	S	.	.	H	α-helix	trans	-66.9	-50.9	-179.5	-168.3	157	0	0	0	111	L122 L123 F124 M128 N129 I130 F139	L122-L126 WeakPolarHBondContact O-CB 3.19Å; L122-L126 PolarHBondContact O-N 2.86Å; L123-L126 PolarHBondContact O-N 2.64Å; F124-L126 VanDerWaalsContact C-N 3.3Å; F124-L126 PolarHBondContact O-N 3.31Å; L126-M128 VanDerWaalsContact C-N 3.29Å; L126-M128 PolarHBondContact O-N 3.49Å; L126-N129 PolarHBondContact O-N 3.25Å; L126-I130 HydrophobicContact CD2-CD1 3.52Å; L126-I130 HydrophobicContact CD2-CG1 4.34Å; L126-I130 WeakPolarHBondContact O-CG1 3.21Å; L126-I130 PolarHBondContact O-N 3.38Å; L126-F139 HydrophobicContact CB-CE2 4.2Å; L126-F139 HydrophobicContact CB-CZ 4.21Å
127	V	77.8	Confident	77.5	Confident	24 Å²	24	50.1 Å²	50.1	15%	0.145	28%	0.283	C	S	.	.	H	α-helix	trans	-62.8	-39.3	179	175.2	0	0	0	0	111	F77 I81 L123 I130 L131	F77-V127 HydrophobicContact CD2-CB 3.82Å; F77-V127 HydrophobicContact CD2-CG1 3.7Å; F77-V127 HydrophobicContact CD2-CG2 4.32Å; F77-V127 HydrophobicContact CE2-CB 3.99Å; F77-V127 HydrophobicContact CE2-CG1 4.35Å; F77-V127 HydrophobicContact CE2-CG2 4.17Å; I81-V127 HydrophobicContact CD1-CG2 4.3Å; I81-V127 HydrophobicContact CG1-CG1 4.42Å; I81-V127 HydrophobicContact CG1-CG2 4.26Å; L123-V127 HydrophobicContact CD1-CG2 4.27Å; L123-V127 HydrophobicContact CG-CG2 4.38Å; L123-V127 WeakPolarHBondContact O-CB 3.38Å; L123-V127 VanDerWaalsContact O-CG2 3.3Å; L123-V127 WeakPolarHBondContact O-CG2 3.22Å; L123-V127 PolarHBondContact O-N 2.99Å; V127-I130 PolarHBondContact O-N 2.87Å; V127-L131 HydrophobicContact CG1-CD1 3.77Å; V127-L131 HydrophobicContact CG1-CG 4.28Å; V127-L131 WeakPolarHBondContact O-CB 3.33Å; V127-L131 WeakPolarHBondContact O-CG 3.45Å; V127-L131 PolarHBondContact O-N 3.29Å
128	M	74.9	Confident	77.4	Confident	2 Å²	2	53 Å²	53	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-67.4	-36.4	175.9	-99.3	33.2	-169.2	0	0	113.8	R73 Y74 F77 F124 L126 I130 L131 E132	R73-M128 HydrophobicContact CB-CE 4.16Å; R73-M128 WeakPolarHBondContact O-CE 3.37Å; Y74-M128 VanDerWaalsContact CA-CE 3.49Å; Y74-M128 HydrophobicContact CD1-CE 3.81Å; Y74-M128 HydrophobicContact CD2-CE 3.83Å; Y74-M128 HydrophobicContact CE1-CE 4.23Å; Y74-M128 HydrophobicContact CE2-CE 4.26Å; Y74-M128 HydrophobicContact CG-CE 3.61Å; F77-M128 HydrophobicContact CB-CE 3.97Å; F77-M128 HydrophobicContact CB-SD 4.06Å; F77-M128 HydrophobicContact CD2-SD 4.35Å; F77-M128 HydrophobicContact CG-SD 4.27Å; F124-M128 HydrophobicContact CE2-CE 4.22Å; F124-M128 HydrophobicContact CE2-CG 4.14Å; F124-M128 HydrophobicContact CE2-SD 4.28Å; F124-M128 HydrophobicContact CZ-CG 4.24Å; F124-M128 WeakPolarHBondContact O-CB 3.03Å; F124-M128 PolarHBondContact O-N 3.49Å; L126-M128 VanDerWaalsContact C-N 3.29Å; L126-M128 PolarHBondContact O-N 3.49Å; M128-I130 VanDerWaalsContact C-N 3.33Å; M128-L131 PolarHBondContact O-N 3.27Å; M128-L131 HydrophobicContact SD-CD1 3.89Å; M128-E132 WeakPolarHBondContact O-CB 3.41Å; M128-E132 VanDerWaalsContact O-CG 3.3Å; M128-E132 WeakPolarHBondContact O-CG 3.21Å; M128-E132 PolarHBondContact O-N 3.37Å
129	N	79.8	Confident	77.3	Confident	19 Å²	19	52.8 Å²	52.8	10%	0.102	29%	0.294	C	S	.	.	H	α-helix	trans	-63.8	-41.6	174.9	-176.6	-98.5	0	0	0	111.3	Y125 L126 E132 A133 K134 F139	Y125-N129 VanDerWaalsContact O-CB 3.28Å; Y125-N129 WeakPolarHBondContact O-CB 3.39Å; Y125-N129 PolarHBondContact O-N 3.22Å; L126-N129 PolarHBondContact O-N 3.25Å; N129-E132 PolarHBondContact O-N 3.23Å; N129-A133 PolarHBondContact O-N 3.4Å; N129-K134 VanDerWaalsContact ND2-CB 3.35Å; N129-K134 WeakPolarHBondContact ND2-CB 3.34Å; N129-K134 PolarHBondContact O-N 3.35Å; N129-K134 VanDerWaalsContact O-N 3.13Å; N129-K134 PolarHBondContact OD1-O 3.38Å; N129-F139 HydrophobicContact CB-CB 4.46Å; N129-F139 HydrophobicContact CB-CD2 3.8Å; N129-F139 HydrophobicContact CB-CG 4.46Å; N129-F139 WeakPolarHBondContact ND2-CB 3.42Å
130	I	78.3	Confident	77.3	Confident	114 Å²	114	55 Å²	55	59%	0.585	29%	0.294	S	S	*	.	H	α-helix	trans	-62.2	-47.9	173.3	-65.1	173.5	0	0	0	110.9	L126 V127 M128 E132 A133	L126-I130 HydrophobicContact CD2-CD1 3.52Å; L126-I130 HydrophobicContact CD2-CG1 4.34Å; L126-I130 WeakPolarHBondContact O-CG1 3.21Å; L126-I130 PolarHBondContact O-N 3.38Å; V127-I130 PolarHBondContact O-N 2.87Å; M128-I130 VanDerWaalsContact C-N 3.33Å; I130-E132 VanDerWaalsContact C-N 3.27Å; I130-E132 PolarHBondContact O-N 2.99Å; I130-A133 PolarHBondContact O-N 3.47Å
131	L	73.9	Confident	77.4	Confident	55 Å²	55	59.4 Å²	59.4	29%	0.288	31%	0.313	S	S	.	.	H	α-helix	trans	-67.7	-24.2	-179	-75.8	170.7	0	0	0	113.9	R73 V127 M128	R73-L131 HydrophobicContact CB-CB 4.41Å; R73-L131 HydrophobicContact CB-CD1 4.12Å; R73-L131 HydrophobicContact CG-CB 4.09Å; R73-L131 HydrophobicContact CG-CD1 4.49Å; R73-L131 PolarHBondContact NE-O 2.95Å; V127-L131 HydrophobicContact CG1-CD1 3.77Å; V127-L131 HydrophobicContact CG1-CG 4.28Å; V127-L131 WeakPolarHBondContact O-CB 3.33Å; V127-L131 WeakPolarHBondContact O-CG 3.45Å; V127-L131 PolarHBondContact O-N 3.29Å; M128-L131 PolarHBondContact O-N 3.27Å; M128-L131 HydrophobicContact SD-CD1 3.89Å
132	E	71.9	Confident	77.3	Confident	49 Å²	49	61.1 Å²	61.1	23%	0.229	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-0.3	173.4	-70.6	-178.2	172.1	0	0	112.8	M128 N129 I130 K134 R193	M128-E132 WeakPolarHBondContact O-CB 3.41Å; M128-E132 VanDerWaalsContact O-CG 3.3Å; M128-E132 WeakPolarHBondContact O-CG 3.21Å; M128-E132 PolarHBondContact O-N 3.37Å; N129-E132 PolarHBondContact O-N 3.23Å; I130-E132 VanDerWaalsContact C-N 3.27Å; I130-E132 PolarHBondContact O-N 2.99Å; E132-K134 HydrophobicContact CB-CD 4.04Å; E132-K134 HydrophobicContact CB-CG 4Å; E132-K134 PolarHBondContact O-N 3.18Å; E132-K134 WeakPolarHBondContact OE2-CD 3.44Å; E132-K134 WeakPolarHBondContact OE2-CE 3.35Å; E132-K134 IonicContact OE2-NZ 2.69Å; E132-K134 PolarHBondContact OE2-NZ 2.92Å; E132-R193 IonicContact OE1-CZ 2.69Å; E132-R193 VanDerWaalsContact OE1-CZ 3.23Å; E132-R193 IonicContact OE1-NE 2.61Å; E132-R193 PolarHBondContact OE1-NE 3.04Å; E132-R193 IonicContact OE1-NH2 3.23Å; E132-R193 PolarHBondContact OE1-NH2 3.14Å
133	A	76.4	Confident	77.2	Confident	94 Å²	94	60.4 Å²	60.4	78%	0.777	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	37.5	-176.4	0	0	0	0	0	113.3	N129 I130	N129-A133 PolarHBondContact O-N 3.4Å; I130-A133 PolarHBondContact O-N 3.47Å
134	K	73.5	Confident	77.1	Confident	79 Å²	79	67.6 Å²	67.6	34%	0.343	34%	0.339	S	S	.	.			trans	-88.4	147.6	179.8	-74.8	178.9	178.5	170.5	0	110.9	N129 E132	N129-K134 VanDerWaalsContact ND2-CB 3.35Å; N129-K134 WeakPolarHBondContact ND2-CB 3.34Å; N129-K134 PolarHBondContact O-N 3.35Å; N129-K134 VanDerWaalsContact O-N 3.13Å; N129-K134 PolarHBondContact OD1-O 3.38Å; E132-K134 HydrophobicContact CB-CD 4.04Å; E132-K134 HydrophobicContact CB-CG 4Å; E132-K134 PolarHBondContact O-N 3.18Å; E132-K134 WeakPolarHBondContact OE2-CD 3.44Å; E132-K134 WeakPolarHBondContact OE2-CE 3.35Å; E132-K134 IonicContact OE2-NZ 2.69Å; E132-K134 PolarHBondContact OE2-NZ 2.92Å
135	G	78.6	Confident	77	Confident	50 Å²	50	75.5 Å²	75.5	52%	0.515	37%	0.374	S	S	.	.			trans	-67.5	157.2	178.1	0	0	0	0	0	113.3	D137 D138 F139	G135-D137 PolarHBondContact O-N 2.99Å; G135-D138 PolarHBondContact O-N 3.16Å; G135-D138 VanDerWaalsContact O-N 3.16Å; G135-F139 PolarHBondContact O-N 3.11Å
136	W	78.7	Confident	77	Confident	161 Å²	161	76 Å²	76	61%	0.61	38%	0.378	S	S	*	.	H	α-helix	trans	-61.1	-30.7	179.8	-170.4	-105	0	0	0	113.7	F139 Q140	W136-F139 HydrophobicContact CD2-CD1 4.31Å; W136-F139 HydrophobicContact CE3-CD1 4.01Å; W136-F139 HydrophobicContact CH2-CD1 4.04Å; W136-F139 AromaticContact CH2-CE1 3.94Å; W136-F139 HydrophobicContact CH2-CE1 3.94Å; W136-F139 HydrophobicContact CZ2-CD1 4.33Å; W136-F139 HydrophobicContact CZ2-CE1 4.41Å; W136-F139 AromaticContact CZ3-CD1 3.87Å; W136-F139 HydrophobicContact CZ3-CD1 3.87Å; W136-F139 HydrophobicContact CZ3-CE1 4.07Å; W136-F139 WeakPolarHBondContact O-CB 3.32Å; W136-F139 PolarHBondContact O-N 2.9Å; W136-Q140 PolarHBondContact O-N 2.86Å
137	D	78.6	Confident	77	Confident	96 Å²	96	74 Å²	74	51%	0.513	37%	0.366	S	S	.	.	H	α-helix	trans	-66.3	-39.1	177	-162.7	-100.2	0	0	0	111.9	G135 Q140 K141	G135-D137 PolarHBondContact O-N 2.99Å; D137-Q140 PolarHBondContact O-N 3.41Å; D137-K141 WeakPolarHBondContact O-CG 3.48Å; D137-K141 PolarHBondContact O-N 2.85Å; D137-K141 VanDerWaalsContact O-N 3.11Å; D137-K141 VanDerWaalsContact OD1-CE 3.28Å; D137-K141 WeakPolarHBondContact OD1-CE 3.34Å; D137-K141 IonicContact OD1-NZ 2.73Å; D137-K141 PolarHBondContact OD1-NZ 3.48Å
138	D	73.8	Confident	77.1	Confident	71 Å²	71	79.8 Å²	79.8	38%	0.38	39%	0.386	S	S	.	.	H	α-helix	trans	-68.1	-39.3	175.3	-159.9	-106.1	0	0	0	110.8	G135 K141 K142	G135-D138 PolarHBondContact O-N 3.16Å; G135-D138 VanDerWaalsContact O-N 3.16Å; D138-K141 PolarHBondContact O-N 3.29Å; D138-K142 WeakPolarHBondContact O-CB 2.97Å; D138-K142 PolarHBondContact O-N 3.47Å
139	F	77.1	Confident	77.4	Confident	12 Å²	12	83.3 Å²	83.3	5%	0.053	41%	0.408	C	S	.	.	H	α-helix	trans	-57.2	-52	172.8	177.7	-110.2	0	0	0	111.9	L126 N129 G135 W136 K141 K142 M143	L126-F139 HydrophobicContact CB-CE2 4.2Å; L126-F139 HydrophobicContact CB-CZ 4.21Å; N129-F139 HydrophobicContact CB-CB 4.46Å; N129-F139 HydrophobicContact CB-CD2 3.8Å; N129-F139 HydrophobicContact CB-CG 4.46Å; N129-F139 WeakPolarHBondContact ND2-CB 3.42Å; G135-F139 PolarHBondContact O-N 3.11Å; W136-F139 HydrophobicContact CD2-CD1 4.31Å; W136-F139 HydrophobicContact CE3-CD1 4.01Å; W136-F139 HydrophobicContact CH2-CD1 4.04Å; W136-F139 AromaticContact CH2-CE1 3.94Å; W136-F139 HydrophobicContact CH2-CE1 3.94Å; W136-F139 HydrophobicContact CZ2-CD1 4.33Å; W136-F139 HydrophobicContact CZ2-CE1 4.41Å; W136-F139 AromaticContact CZ3-CD1 3.87Å; W136-F139 HydrophobicContact CZ3-CD1 3.87Å; W136-F139 HydrophobicContact CZ3-CE1 4.07Å; W136-F139 WeakPolarHBondContact O-CB 3.32Å; W136-F139 PolarHBondContact O-N 2.9Å; F139-K141 PolarHBondContact O-N 2.9Å; F139-K142 PolarHBondContact O-N 3.42Å; F139-M143 HydrophobicContact CE1-SD 3.86Å; F139-M143 HydrophobicContact CZ-SD 3.76Å; F139-M143 VanDerWaalsContact O-CB 3.23Å; F139-M143 WeakPolarHBondContact O-CB 3.45Å; F139-M143 PolarHBondContact O-N 3.34Å
140	Q	79.5	Confident	77.3	Confident	85 Å²	85	82.4 Å²	82.4	40%	0.397	40%	0.403	S	S	.	.	H	α-helix	trans	-63.7	-41.9	-177.9	-78.3	-169.5	-68.5	0	0	112.5	W136 D137 R144	W136-Q140 PolarHBondContact O-N 2.86Å; D137-Q140 PolarHBondContact O-N 3.41Å; Q140-R144 WeakPolarHBondContact O-CB 3.36Å; Q140-R144 PolarHBondContact O-N 2.94Å
141	K	79.6	Confident	77.5	Confident	132 Å²	132	77.2 Å²	77.2	57%	0.574	38%	0.376	S	S	*	.	H	α-helix	trans	-61.6	-46.1	175.5	-79	170.2	176.7	157.4	0	111.2	D137 D138 F139 R144 K145	D137-K141 WeakPolarHBondContact O-CG 3.48Å; D137-K141 PolarHBondContact O-N 2.85Å; D137-K141 VanDerWaalsContact O-N 3.11Å; D137-K141 VanDerWaalsContact OD1-CE 3.28Å; D137-K141 WeakPolarHBondContact OD1-CE 3.34Å; D137-K141 IonicContact OD1-NZ 2.73Å; D137-K141 PolarHBondContact OD1-NZ 3.48Å; D138-K141 PolarHBondContact O-N 3.29Å; F139-K141 PolarHBondContact O-N 2.9Å; K141-R144 PolarHBondContact O-N 3.39Å; K141-K145 WeakPolarHBondContact O-CB 3.45Å; K141-K145 PolarHBondContact O-N 2.86Å; K141-K145 VanDerWaalsContact O-N 3.09Å
142	K	74	Confident	77.8	Confident	45 Å²	45	80.6 Å²	80.6	20%	0.196	39%	0.388	C	S	.	.	H	α-helix	trans	-69.5	-37.3	-178.6	-155.4	150	-159.8	166.6	0	112.2	D138 F139 K145 S146 R193 K194	D138-K142 WeakPolarHBondContact O-CB 2.97Å; D138-K142 PolarHBondContact O-N 3.47Å; F139-K142 PolarHBondContact O-N 3.42Å; K142-K145 PolarHBondContact O-N 3.05Å; K142-S146 WeakPolarHBondContact O-CB 3.46Å; K142-S146 PolarHBondContact O-N 3.47Å; K142-R193 WeakPolarHBondContact CE-O 3.42Å; K142-R193 PolarHBondContact NZ-O 3.03Å; K142-K194 PolarHBondContact NZ-O 2.84Å
143	M	79.4	Confident	78.2	Confident	51 Å²	51	81.5 Å²	81.5	25%	0.251	39%	0.393	S	S	.	.	I	π-helix	trans	-63.3	-52.6	173.2	-166.3	176.9	77.3	0	0	110.4	L122 F139 K145 Y147	L122-M143 HydrophobicContact CD2-CG 4.27Å; L122-M143 HydrophobicContact CD2-SD 3.36Å; L122-M143 WeakPolarHBondContact CD2-SD 3.33Å; F139-M143 HydrophobicContact CE1-SD 3.86Å; F139-M143 HydrophobicContact CZ-SD 3.76Å; F139-M143 VanDerWaalsContact O-CB 3.23Å; F139-M143 WeakPolarHBondContact O-CB 3.45Å; F139-M143 PolarHBondContact O-N 3.34Å; M143-K145 PolarHBondContact O-N 3.46Å; M143-Y147 HydrophobicContact CG-CG 4.24Å; M143-Y147 WeakPolarHBondContact O-CB 3.33Å; M143-Y147 PolarHBondContact O-N 3.48Å
144	R	77.3	Confident	78.4	Confident	204 Å²	204	77.9 Å²	77.9	77%	0.77	36%	0.361	S	S	*	.	I	π-helix	trans	-58.1	-35.9	179.1	-78.1	-175.6	175.2	-141.7	0.4	113.2	Q140 K141	Q140-R144 WeakPolarHBondContact O-CB 3.36Å; Q140-R144 PolarHBondContact O-N 2.94Å; K141-R144 PolarHBondContact O-N 3.39Å
145	K	78.3	Confident	78.7	Confident	169 Å²	169	78 Å²	78	74%	0.735	36%	0.359	S	S	*	.	I	π-helix	trans	-83.8	-45	-175.8	-166.3	176.6	-178.8	-178.1	0	113.9	K141 K142 M143 T149	K141-K145 WeakPolarHBondContact O-CB 3.45Å; K141-K145 PolarHBondContact O-N 2.86Å; K141-K145 VanDerWaalsContact O-N 3.09Å; K142-K145 PolarHBondContact O-N 3.05Å; M143-K145 PolarHBondContact O-N 3.46Å; K145-T149 PolarHBondContact O-OG1 3.37Å
146	S	75.9	Confident	78.7	Confident	19 Å²	19	83 Å²	83	13%	0.133	37%	0.367	C	S	.	.	I	π-helix	trans	-106.9	-23.1	-169.1	-63.9	0	0	0	0	114	K142 T149 A150	K142-S146 WeakPolarHBondContact O-CB 3.46Å; K142-S146 PolarHBondContact O-N 3.47Å; S146-T149 PolarHBondContact O-N 2.85Å; S146-A150 VanDerWaalsContact O-CB 3.3Å; S146-A150 WeakPolarHBondContact O-CB 3.5Å; S146-A150 PolarHBondContact O-N 3.27Å
147	Y	79.9	Confident	78.7	Confident	22 Å²	22	76.7 Å²	76.7	9%	0.086	35%	0.346	C	S	.	.	I	π-helix	trans	-60.6	-52	-176.4	176.7	-106.1	0	0	0	112.3	P118 L121 L122 M143 T149 A150 L151	P118-Y147 VanDerWaalsContact CA-OH 3.3Å; P118-Y147 WeakPolarHBondContact CA-OH 3.39Å; P118-Y147 WeakPolarHBondContact CB-OH 3.31Å; P118-Y147 PolarHBondContact O-OH 3Å; P118-Y147 VanDerWaalsContact O-OH 3.14Å; L121-Y147 HydrophobicContact CB-CE2 4.07Å; L121-Y147 HydrophobicContact CD2-CD2 3.85Å; L121-Y147 HydrophobicContact CD2-CE2 3.86Å; L121-Y147 HydrophobicContact CG-CD2 4.16Å; L121-Y147 HydrophobicContact CG-CE2 4.1Å; L122-Y147 HydrophobicContact CB-CE2 4.42Å; L122-Y147 HydrophobicContact CD1-CE2 4.47Å; L122-Y147 HydrophobicContact CD2-CD2 4.41Å; L122-Y147 HydrophobicContact CD2-CE2 4.07Å; L122-Y147 HydrophobicContact CG-CD2 4.38Å; L122-Y147 HydrophobicContact CG-CE2 3.59Å; M143-Y147 HydrophobicContact CG-CG 4.24Å; M143-Y147 WeakPolarHBondContact O-CB 3.33Å; M143-Y147 PolarHBondContact O-N 3.48Å; Y147-T149 VanDerWaalsContact C-N 3.31Å; Y147-T149 PolarHBondContact O-N 3.15Å; Y147-A150 PolarHBondContact O-N 2.87Å; Y147-L151 HydrophobicContact CE1-CD2 4.18Å; Y147-L151 WeakPolarHBondContact O-CB 3.17Å; Y147-L151 PolarHBondContact O-N 3.26Å
148	W	80.1	Confident	78.6	Confident	147 Å²	147	74.6 Å²	74.6	56%	0.557	33%	0.331	S	S	*	.	H	α-helix	trans	-65.4	-36.5	-178.8	-73.8	107.9	0	0	0	112.5	L151 K152	W148-L151 HydrophobicContact CE3-CD2 4.27Å; W148-L151 HydrophobicContact CZ3-CD2 4.2Å; W148-K152 WeakPolarHBondContact O-CB 3.26Å; W148-K152 VanDerWaalsContact O-CG 3.32Å; W148-K152 WeakPolarHBondContact O-CG 3.36Å; W148-K152 PolarHBondContact O-N 2.65Å
149	T	81.4	Confident	78.8	Confident	76 Å²	76	74.7 Å²	74.7	47%	0.466	33%	0.334	S	S	.	.	H	α-helix	trans	-64.1	-48.3	175.7	-56	0	0	0	0	110.5	K145 S146 Y147 M153	K145-T149 PolarHBondContact O-OG1 3.37Å; S146-T149 PolarHBondContact O-N 2.85Å; Y147-T149 VanDerWaalsContact C-N 3.31Å; Y147-T149 PolarHBondContact O-N 3.15Å; T149-M153 WeakPolarHBondContact O-CB 3.18Å; T149-M153 PolarHBondContact O-N 2.87Å
150	A	77.6	Confident	79	Confident	0 Å²	0	77 Å²	77	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64.9	-40.6	176.8	0	0	0	0	0	112	L121 S146 Y147 M153 N154 W185 L189	L121-A150 HydrophobicContact CD1-CB 4.48Å; L121-A150 HydrophobicContact CD2-CB 3.92Å; S146-A150 VanDerWaalsContact O-CB 3.3Å; S146-A150 WeakPolarHBondContact O-CB 3.5Å; S146-A150 PolarHBondContact O-N 3.27Å; Y147-A150 PolarHBondContact O-N 2.87Å; A150-M153 PolarHBondContact O-N 3.48Å; A150-N154 WeakPolarHBondContact O-CB 3.41Å; A150-N154 PolarHBondContact O-N 2.78Å; A150-W185 WeakPolarHBondContact O-CH2 3.39Å; A150-L189 HydrophobicContact CB-CD2 4.31Å
151	L	81.3	Confident	79	Confident	4 Å²	4	76.8 Å²	76.8	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-65.6	-47.3	178.8	-174.8	62.9	0	0	0	112	A117 P118 L121 Y147 W148 M153 N154 W155	A117-L151 HydrophobicContact CB-CD1 4.43Å; P118-L151 HydrophobicContact CB-CD1 4.04Å; P118-L151 HydrophobicContact CB-CD2 4.07Å; L121-L151 HydrophobicContact CD2-CB 4Å; L121-L151 HydrophobicContact CD2-CD1 4.42Å; Y147-L151 HydrophobicContact CE1-CD2 4.18Å; Y147-L151 WeakPolarHBondContact O-CB 3.17Å; Y147-L151 PolarHBondContact O-N 3.26Å; W148-L151 HydrophobicContact CE3-CD2 4.27Å; W148-L151 HydrophobicContact CZ3-CD2 4.2Å; L151-M153 VanDerWaalsContact C-N 3.29Å; L151-M153 PolarHBondContact O-N 3.33Å; L151-N154 WeakPolarHBondContact O-CB 3.08Å; L151-N154 PolarHBondContact O-N 3.22Å; L151-N154 VanDerWaalsContact O-N 3.15Å; L151-W155 HydrophobicContact CD1-CZ2 4.13Å; L151-W155 HydrophobicContact CD2-CH2 4.17Å; L151-W155 HydrophobicContact CD2-CZ2 3.9Å; L151-W155 HydrophobicContact CG-CD2 4.5Å; L151-W155 HydrophobicContact CG-CH2 4.34Å; L151-W155 HydrophobicContact CG-CZ2 3.85Å; L151-W155 PolarHBondContact O-N 2.89Å
152	K	80.5	Confident	78.9	Confident	126 Å²	126	72 Å²	72	55%	0.548	33%	0.33	S	S	.	.	H	α-helix	trans	-60.6	-41.2	175.3	-74.4	177.9	-177.5	178.5	0	111.4	W148 N154 W155 K156	W148-K152 WeakPolarHBondContact O-CB 3.26Å; W148-K152 VanDerWaalsContact O-CG 3.32Å; W148-K152 WeakPolarHBondContact O-CG 3.36Å; W148-K152 PolarHBondContact O-N 2.65Å; K152-N154 VanDerWaalsContact C-N 3.33Å; K152-W155 PolarHBondContact O-N 3.38Å; K152-K156 WeakPolarHBondContact O-CG 3.36Å; K152-K156 PolarHBondContact O-N 3.29Å
153	M	80.9	Confident	79	Confident	68 Å²	68	76 Å²	76	34%	0.335	35%	0.348	S	S	.	.	H	α-helix	trans	-68.1	-35.4	177.1	-162.9	61.5	175.9	0	0	111.7	T149 A150 L151 W155 K156 V157 W185 Y188	T149-M153 WeakPolarHBondContact O-CB 3.18Å; T149-M153 PolarHBondContact O-N 2.87Å; A150-M153 PolarHBondContact O-N 3.48Å; L151-M153 VanDerWaalsContact C-N 3.29Å; L151-M153 PolarHBondContact O-N 3.33Å; M153-W155 VanDerWaalsContact C-N 3.35Å; M153-W155 PolarHBondContact O-N 3.48Å; M153-K156 PolarHBondContact O-N 3.31Å; M153-K156 HydrophobicContact SD-CB 4.45Å; M153-V157 HydrophobicContact CE-CG2 3.93Å; M153-V157 HydrophobicContact CG-CG2 4.12Å; M153-V157 WeakPolarHBondContact O-CB 3.25Å; M153-V157 VanDerWaalsContact O-CG2 3.26Å; M153-V157 WeakPolarHBondContact O-CG2 3.36Å; M153-V157 PolarHBondContact O-N 3.11Å; M153-V157 HydrophobicContact SD-CG2 4.34Å; M153-W185 HydrophobicContact CB-CH2 4.34Å; M153-W185 HydrophobicContact CB-CZ3 4.31Å; M153-W185 HydrophobicContact CG-CZ3 4.2Å; M153-Y188 HydrophobicContact CB-CE1 3.88Å; M153-Y188 HydrophobicContact CG-CD1 4.43Å; M153-Y188 HydrophobicContact CG-CE1 3.66Å; M153-Y188 HydrophobicContact CG-CE2 4.4Å
154	N	80.6	Confident	79	Confident	18 Å²	18	76.7 Å²	76.7	10%	0.096	35%	0.352	C	S	.	.	H	α-helix	trans	-58.3	-49.6	174.3	-172.3	-87.5	0	0	0	110.3	R113 A150 L151 K152 K156 V157 W158 W185	R113-N154 PolarHBondContact NH1-OD1 2.81Å; A150-N154 WeakPolarHBondContact O-CB 3.41Å; A150-N154 PolarHBondContact O-N 2.78Å; L151-N154 WeakPolarHBondContact O-CB 3.08Å; L151-N154 PolarHBondContact O-N 3.22Å; L151-N154 VanDerWaalsContact O-N 3.15Å; K152-N154 VanDerWaalsContact C-N 3.33Å; N154-K156 PolarHBondContact O-N 3.46Å; N154-V157 PolarHBondContact O-N 3.05Å; N154-W158 PolarHBondContact ND2-NE1 3.48Å; N154-W158 VanDerWaalsContact O-CB 3.31Å; N154-W158 WeakPolarHBondContact O-CB 3.16Å; N154-W158 PolarHBondContact O-N 3.31Å; N154-W185 HydrophobicContact CB-CH2 3.44Å; N154-W185 VanDerWaalsContact CB-CH2 3.44Å; N154-W185 HydrophobicContact CB-CZ2 3.52Å; N154-W185 HydrophobicContact CB-CZ3 4.2Å; N154-W185 WeakPolarHBondContact ND2-CZ2 3.27Å
155	W	78.8	Confident	79	Confident	81 Å²	81	67.9 Å²	67.9	31%	0.307	32%	0.32	S	S	.	.	H	α-helix	trans	-61	-44.4	176.8	-62.9	-19.6	0	0	0	112.2	R113 L114 L151 K152 M153 V157 T159	R113-W155 PolarHBondContact O-NE1 2.8Å; L114-W155 HydrophobicContact CD2-CH2 4.41Å; L114-W155 HydrophobicContact CD2-CZ2 4.14Å; L151-W155 HydrophobicContact CD1-CZ2 4.13Å; L151-W155 HydrophobicContact CD2-CH2 4.17Å; L151-W155 HydrophobicContact CD2-CZ2 3.9Å; L151-W155 HydrophobicContact CG-CD2 4.5Å; L151-W155 HydrophobicContact CG-CH2 4.34Å; L151-W155 HydrophobicContact CG-CZ2 3.85Å; L151-W155 PolarHBondContact O-N 2.89Å; K152-W155 PolarHBondContact O-N 3.38Å; M153-W155 VanDerWaalsContact C-N 3.35Å; M153-W155 PolarHBondContact O-N 3.48Å; W155-V157 PolarHBondContact O-N 3.25Å; W155-T159 WeakPolarHBondContact O-CB 3.47Å; W155-T159 PolarHBondContact O-N 3.43Å; W155-T159 VanDerWaalsContact O-N 3.13Å; W155-T159 PolarHBondContact O-OG1 3.49Å
156	K	79.6	Confident	78.7	Confident	157 Å²	157	64 Å²	64	68%	0.683	31%	0.307	S	S	*	.	H	α-helix	trans	-64.7	-37.3	179	-77.2	-175.1	176.1	-171.9	0	113.6	K152 M153 N154 P160	K152-K156 WeakPolarHBondContact O-CG 3.36Å; K152-K156 PolarHBondContact O-N 3.29Å; M153-K156 PolarHBondContact O-N 3.31Å; M153-K156 HydrophobicContact SD-CB 4.45Å; N154-K156 PolarHBondContact O-N 3.46Å; K156-P160 WeakPolarHBondContact O-CD 3.28Å; K156-P160 WeakPolarHBondContact O-CG 2.93Å
157	V	77.9	Confident	78.5	Confident	28 Å²	28	67.8 Å²	67.8	17%	0.17	33%	0.325	C	S	.	.	H	α-helix	trans	-77.3	-57.2	179.8	169.3	0	0	0	0	109.1	M153 N154 W155 T159 P160 F161 I181 W185	M153-V157 HydrophobicContact CE-CG2 3.93Å; M153-V157 HydrophobicContact CG-CG2 4.12Å; M153-V157 WeakPolarHBondContact O-CB 3.25Å; M153-V157 VanDerWaalsContact O-CG2 3.26Å; M153-V157 WeakPolarHBondContact O-CG2 3.36Å; M153-V157 PolarHBondContact O-N 3.11Å; M153-V157 HydrophobicContact SD-CG2 4.34Å; N154-V157 PolarHBondContact O-N 3.05Å; W155-V157 PolarHBondContact O-N 3.25Å; V157-T159 PolarHBondContact O-N 2.7Å; V157-P160 VanDerWaalsContact O-CD 3.3Å; V157-P160 WeakPolarHBondContact O-CD 3.4Å; V157-P160 WeakPolarHBondContact O-CG 3.2Å; V157-F161 HydrophobicContact CG1-CD2 3.71Å; V157-F161 HydrophobicContact CG1-CE2 3.86Å; V157-F161 WeakPolarHBondContact O-CD2 3.33Å; V157-F161 PolarHBondContact O-N 3.05Å; V157-I181 HydrophobicContact CG1-CG2 4.15Å; V157-W185 HydrophobicContact CB-CE3 4.34Å; V157-W185 HydrophobicContact CB-CZ3 4.38Å; V157-W185 HydrophobicContact CG1-CE3 4.26Å; V157-W185 HydrophobicContact CG2-CE3 4.44Å; V157-W185 HydrophobicContact CG2-CZ3 4.27Å
158	W	76.8	Confident	78.2	Confident	51 Å²	51	74.1 Å²	74.1	19%	0.193	35%	0.354	C	S	.	.	H	α-helix	trans	-72.8	-30.2	-168.3	-77.3	93.5	0	0	0	114.4	R113 N154 T162 I181 A182 W185	R113-W158 VanDerWaalsContact CZ-CB 3.49Å; N154-W158 PolarHBondContact ND2-NE1 3.48Å; N154-W158 VanDerWaalsContact O-CB 3.31Å; N154-W158 WeakPolarHBondContact O-CB 3.16Å; N154-W158 PolarHBondContact O-N 3.31Å; W158-T162 WeakPolarHBondContact O-CB 3.18Å; W158-T162 PolarHBondContact O-N 3.49Å; W158-T162 PolarHBondContact O-OG1 3.13Å; W158-I181 HydrophobicContact CH2-CG2 4.49Å; W158-I181 HydrophobicContact CZ2-CG2 4.45Å; W158-A182 HydrophobicContact CH2-CB 4.04Å; W158-A182 HydrophobicContact CZ2-CB 4.15Å; W158-W185 HydrophobicContact CZ2-CB 4.46Å; W158-W185 AromaticContact NE1-CD1 3.94Å; W158-W185 AromaticContact NE1-CD2 3.67Å; W158-W185 AromaticContact NE1-CG 3.62Å
159	T	78.7	Confident	77.7	Confident	73 Å²	73	68.1 Å²	68.1	45%	0.448	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-56.9	-179.8	-54.2	0	0	0	0	113	W155 V157 F161 T162 F163	W155-T159 WeakPolarHBondContact O-CB 3.47Å; W155-T159 PolarHBondContact O-N 3.43Å; W155-T159 VanDerWaalsContact O-N 3.13Å; W155-T159 PolarHBondContact O-OG1 3.49Å; V157-T159 PolarHBondContact O-N 2.7Å; T159-F161 VanDerWaalsContact C-N 3.34Å; T159-F161 PolarHBondContact O-N 3.19Å; T159-T162 PolarHBondContact O-N 3.17Å; T159-F163 PolarHBondContact O-N 3.34Å
160	P	81.4	Confident	77	Confident	62 Å²	62	68 Å²	68	40%	0.403	33%	0.334	S	S	.	.	H	α-helix	trans	-65.9	-37.1	178.7	26.4	-35.1	0	0	0	112	K156 V157 F163 I164	K156-P160 WeakPolarHBondContact O-CD 3.28Å; K156-P160 WeakPolarHBondContact O-CG 2.93Å; V157-P160 VanDerWaalsContact O-CD 3.3Å; V157-P160 WeakPolarHBondContact O-CD 3.4Å; V157-P160 WeakPolarHBondContact O-CG 3.2Å; P160-F163 WeakPolarHBondContact O-CB 3.38Å; P160-F163 PolarHBondContact O-N 2.97Å; P160-I164 VanDerWaalsContact O-CG1 3.3Å; P160-I164 WeakPolarHBondContact O-CG1 3.19Å; P160-I164 PolarHBondContact O-N 3.21Å
161	F	79.8	Confident	76.3	Confident	79 Å²	79	73.1 Å²	73.1	35%	0.346	37%	0.365	S	S	.	.	H	α-helix	trans	-69	-37	179.3	-77.6	-52.3	0	0	0	113.2	V157 T159 F163 I164 N165 F177 I181	V157-F161 HydrophobicContact CG1-CD2 3.71Å; V157-F161 HydrophobicContact CG1-CE2 3.86Å; V157-F161 WeakPolarHBondContact O-CD2 3.33Å; V157-F161 PolarHBondContact O-N 3.05Å; T159-F161 VanDerWaalsContact C-N 3.34Å; T159-F161 PolarHBondContact O-N 3.19Å; F161-F163 VanDerWaalsContact C-N 3.32Å; F161-I164 PolarHBondContact O-N 3.4Å; F161-N165 WeakPolarHBondContact O-CB 3.3Å; F161-N165 PolarHBondContact O-N 3.46Å; F161-F177 HydrophobicContact CD1-CE1 4.2Å; F161-F177 HydrophobicContact CD1-CZ 4.11Å; F161-I181 HydrophobicContact CB-CD1 3.47Å; F161-I181 VanDerWaalsContact CB-CD1 3.47Å; F161-I181 HydrophobicContact CB-CG1 4.34Å; F161-I181 HydrophobicContact CB-CG2 4.49Å; F161-I181 HydrophobicContact CD1-CD1 3.76Å; F161-I181 HydrophobicContact CD1-CG1 4.12Å; F161-I181 HydrophobicContact CD2-CD1 4.25Å; F161-I181 HydrophobicContact CD2-CG1 4.22Å; F161-I181 HydrophobicContact CD2-CG2 3.9Å; F161-I181 HydrophobicContact CG-CD1 3.57Å; F161-I181 HydrophobicContact CG-CG1 3.98Å; F161-I181 HydrophobicContact CG-CG2 4.3Å
162	T	75.7	Confident	75.2	Confident	32 Å²	32	78.3 Å²	78.3	20%	0.196	39%	0.389	C	S	.	.	H	α-helix	trans	-64.9	-41	173.1	-57.5	0	0	0	0	110.1	R113 W158 T159 N165 I166	R113-T162 PolarHBondContact NH2-OG1 3.46Å; W158-T162 WeakPolarHBondContact O-CB 3.18Å; W158-T162 PolarHBondContact O-N 3.49Å; W158-T162 PolarHBondContact O-OG1 3.13Å; T159-T162 PolarHBondContact O-N 3.17Å; T162-N165 PolarHBondContact O-N 2.64Å; T162-I166 HydrophobicContact CG2-CD1 3.83Å; T162-I166 HydrophobicContact CG2-CG1 4.47Å; T162-I166 WeakPolarHBondContact O-CG1 3.01Å; T162-I166 PolarHBondContact O-N 2.91Å
163	F	77.1	Confident	74.4	Confident	129 Å²	129	76.6 Å²	76.6	57%	0.566	38%	0.382	S	S	*	.	H	α-helix	trans	-60.2	-47.3	175.1	-177.4	-92.9	0	0	0	112	T159 P160 F161 N165 I166 N167 F168	T159-F163 PolarHBondContact O-N 3.34Å; P160-F163 WeakPolarHBondContact O-CB 3.38Å; P160-F163 PolarHBondContact O-N 2.97Å; F161-F163 VanDerWaalsContact C-N 3.32Å; F163-N165 VanDerWaalsContact C-N 3.34Å; F163-N165 PolarHBondContact O-N 3.28Å; F163-I166 PolarHBondContact O-N 3.42Å; F163-N167 WeakPolarHBondContact CD2-ND2 3.23Å; F163-N167 VanDerWaalsContact CE2-ND2 3.33Å; F163-N167 WeakPolarHBondContact CE2-ND2 3.5Å; F163-N167 WeakPolarHBondContact O-CB 3.3Å; F163-N167 PolarHBondContact O-N 3.06Å; F163-N167 PolarHBondContact O-ND2 3.13Å; F163-F168 HydrophobicContact CE1-CE2 4.49Å
164	I	79.5	Confident	73.8	Confident	65 Å²	65	77.1 Å²	77.1	33%	0.333	38%	0.38	S	S	.	.	H	α-helix	trans	-62.3	-43.4	176.4	-67.2	164.9	0	0	0	110.7	P160 F161 I166 N167 F168 V169 F177	P160-I164 VanDerWaalsContact O-CG1 3.3Å; P160-I164 WeakPolarHBondContact O-CG1 3.19Å; P160-I164 PolarHBondContact O-N 3.21Å; F161-I164 PolarHBondContact O-N 3.4Å; I164-I166 VanDerWaalsContact C-N 3.34Å; I164-I166 PolarHBondContact O-N 3.45Å; I164-N167 PolarHBondContact O-N 3.41Å; I164-F168 HydrophobicContact CG2-CB 4.38Å; I164-F168 HydrophobicContact CG2-CD2 4.48Å; I164-F168 WeakPolarHBondContact O-CB 3.09Å; I164-F168 PolarHBondContact O-N 2.84Å; I164-V169 PolarHBondContact O-N 3.43Å; I164-F177 HydrophobicContact CG2-CE1 4.36Å; I164-F177 HydrophobicContact CG2-CZ 4Å
165	N	76.5	Confident	73	Confident	20 Å²	20	78.7 Å²	78.7	11%	0.107	39%	0.39	C	S	.	.	H	α-helix	trans	-61.2	-40.4	-179.3	-170.5	-90.6	0	0	0	112.6	F161 T162 F163 V169 R174 F177	F161-N165 WeakPolarHBondContact O-CB 3.3Å; F161-N165 PolarHBondContact O-N 3.46Å; T162-N165 PolarHBondContact O-N 2.64Å; F163-N165 VanDerWaalsContact C-N 3.34Å; F163-N165 PolarHBondContact O-N 3.28Å; N165-V169 WeakPolarHBondContact O-CB 3.5Å; N165-R174 WeakPolarHBondContact ND2-CA 3.25Å; N165-R174 PolarHBondContact ND2-O 3.38Å; N165-R174 PolarHBondContact O-NE 2.86Å; N165-R174 VanDerWaalsContact OD1-CB 3.25Å; N165-R174 WeakPolarHBondContact OD1-CB 3.49Å; N165-R174 WeakPolarHBondContact OD1-CG 3.43Å; N165-F177 HydrophobicContact CB-CD1 3.97Å; N165-F177 HydrophobicContact CB-CE1 4.22Å; N165-F177 WeakPolarHBondContact ND2-CB 3.43Å; N165-F177 WeakPolarHBondContact ND2-CD1 2.94Å
166	I	72.6	Confident	72.4	Confident	87 Å²	87	79.8 Å²	79.8	45%	0.446	40%	0.401	S	S	.	.	H	α-helix	trans	-78	-41.4	-178.8	-65.3	171.8	0	0	0	111.2	T162 F163 I164 R174	T162-I166 HydrophobicContact CG2-CD1 3.83Å; T162-I166 HydrophobicContact CG2-CG1 4.47Å; T162-I166 WeakPolarHBondContact O-CG1 3.01Å; T162-I166 PolarHBondContact O-N 2.91Å; F163-I166 PolarHBondContact O-N 3.42Å; I164-I166 VanDerWaalsContact C-N 3.34Å; I164-I166 PolarHBondContact O-N 3.45Å; I166-R174 PolarHBondContact O-NH2 3.39Å
167	N	72.1	Confident	72	Confident	98 Å²	98	74.5 Å²	74.5	52%	0.524	38%	0.379	S	S	.	.	H	α-helix	trans	-85	-36.9	-173.1	-72.2	-80.9	0	0	0	114.1	F163 I164	F163-N167 WeakPolarHBondContact CD2-ND2 3.23Å; F163-N167 VanDerWaalsContact CE2-ND2 3.33Å; F163-N167 WeakPolarHBondContact CE2-ND2 3.5Å; F163-N167 WeakPolarHBondContact O-CB 3.3Å; F163-N167 PolarHBondContact O-N 3.06Å; F163-N167 PolarHBondContact O-ND2 3.13Å; I164-N167 PolarHBondContact O-N 3.41Å
168	F	74.3	Confident	71.6	Confident	155 Å²	155	74.7 Å²	74.7	68%	0.68	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-24	-170.7	-65.7	-90	0	0	0	113.8	F163 I164 P170	F163-F168 HydrophobicContact CE1-CE2 4.49Å; I164-F168 HydrophobicContact CG2-CB 4.38Å; I164-F168 HydrophobicContact CG2-CD2 4.48Å; I164-F168 WeakPolarHBondContact O-CB 3.09Å; I164-F168 PolarHBondContact O-N 2.84Å; F168-P170 WeakPolarHBondContact O-CD 3.32Å
169	V	68.5	Low	71.3	Confident	22 Å²	22	74.5 Å²	74.5	13%	0.133	39%	0.386	C	S	.	.	S	Bend	trans	-93.4	122.2	-176.2	-175.4	0	0	0	0	110.1	I164 N165 F173 R174 F177	I164-V169 PolarHBondContact O-N 3.43Å; N165-V169 WeakPolarHBondContact O-CB 3.5Å; V169-F173 HydrophobicContact CG1-CB 3.59Å; V169-R174 HydrophobicContact CB-CG 4.29Å; V169-R174 HydrophobicContact CG1-CG 4.16Å; V169-R174 WeakPolarHBondContact O-CG 3.25Å; V169-R174 PolarHBondContact O-NE 2.87Å; V169-F177 HydrophobicContact CG1-CB 4.37Å; V169-F177 HydrophobicContact CG2-CD1 4.4Å; V169-F177 HydrophobicContact CG2-CD2 4.26Å; V169-F177 HydrophobicContact CG2-CG 4.17Å
170	P	66.3	Low	70.9	Confident	74 Å²	74	75.9 Å²	75.9	48%	0.481	39%	0.388	S	S	.	.			trans	-55.4	144.1	174.1	-24.8	33.4	0	0	0	111.3	F168 Q172 F173 R174	F168-P170 WeakPolarHBondContact O-CD 3.32Å; P170-Q172 HydrophobicContact CB-CG 4.25Å; P170-Q172 PolarHBondContact O-N 3.48Å; P170-F173 HydrophobicContact CB-CD2 4.15Å; P170-F173 HydrophobicContact CG-CD2 4.14Å; P170-F173 PolarHBondContact O-N 3.01Å; P170-R174 PolarHBondContact O-N 2.84Å
171	V	63.1	Low	70.7	Confident	106 Å²	106	73.4 Å²	73.4	64%	0.642	37%	0.371	S	S	*	.	H	α-helix	trans	-47.5	-39.7	-173.3	178	0	0	0	0	112.9	F173 R174	V171-F173 VanDerWaalsContact C-N 3.31Å; V171-F173 PolarHBondContact O-N 3.34Å; V171-R174 PolarHBondContact O-N 2.73Å
172	Q	58.6	Low	70.2	Confident	113 Å²	113	70.1 Å²	70.1	53%	0.528	36%	0.359	S	S	.	.	H	α-helix	trans	-63.4	-29	179.1	65.1	-169.9	35.2	0	0	114.8	P170	P170-Q172 HydrophobicContact CB-CG 4.25Å; P170-Q172 PolarHBondContact O-N 3.48Å
173	F	64.6	Low	69.9	Low	90 Å²	90	70.6 Å²	70.6	40%	0.395	36%	0.36	S	S	.	.	H	α-helix	trans	-100	-6.6	-178.7	-62.2	-57.7	0	0	0	113.4	V169 P170 V171 V175 L176 F177	V169-F173 HydrophobicContact CG1-CB 3.59Å; P170-F173 HydrophobicContact CB-CD2 4.15Å; P170-F173 HydrophobicContact CG-CD2 4.14Å; P170-F173 PolarHBondContact O-N 3.01Å; V171-F173 VanDerWaalsContact C-N 3.31Å; V171-F173 PolarHBondContact O-N 3.34Å; F173-V175 VanDerWaalsContact C-N 3.31Å; F173-V175 PolarHBondContact O-N 3.19Å; F173-L176 PolarHBondContact O-N 2.91Å; F173-L176 VanDerWaalsContact O-N 3.14Å; F173-F177 PolarHBondContact O-N 3.3Å
174	R	67.9	Low	69.7	Low	80 Å²	80	70.8 Å²	70.8	30%	0.302	36%	0.361	S	S	.	.	H	α-helix	trans	-58	-42.8	-176.5	-72.7	-174	-174.6	169.2	-2.6	112.7	N165 I166 V169 P170 V171 A178	N165-R174 WeakPolarHBondContact ND2-CA 3.25Å; N165-R174 PolarHBondContact ND2-O 3.38Å; N165-R174 PolarHBondContact O-NE 2.86Å; N165-R174 VanDerWaalsContact OD1-CB 3.25Å; N165-R174 WeakPolarHBondContact OD1-CB 3.49Å; N165-R174 WeakPolarHBondContact OD1-CG 3.43Å; I166-R174 PolarHBondContact O-NH2 3.39Å; V169-R174 HydrophobicContact CB-CG 4.29Å; V169-R174 HydrophobicContact CG1-CG 4.16Å; V169-R174 WeakPolarHBondContact O-CG 3.25Å; V169-R174 PolarHBondContact O-NE 2.87Å; P170-R174 PolarHBondContact O-N 2.84Å; V171-R174 PolarHBondContact O-N 2.73Å; R174-A178 WeakPolarHBondContact O-CB 3.47Å; R174-A178 PolarHBondContact O-N 2.96Å
175	V	63.2	Low	69.5	Low	51 Å²	51	68.5 Å²	68.5	31%	0.309	35%	0.348	S	S	.	.	H	α-helix	trans	-66.1	-41.4	178.3	-178.2	0	0	0	0	111.4	Y21 F173 A178 N179	Y21-V175 HydrophobicContact CE1-CG1 4.12Å; F173-V175 VanDerWaalsContact C-N 3.31Å; F173-V175 PolarHBondContact O-N 3.19Å; V175-A178 PolarHBondContact O-N 2.88Å; V175-N179 WeakPolarHBondContact O-CB 3.21Å; V175-N179 VanDerWaalsContact O-CG 3.28Å; V175-N179 PolarHBondContact O-N 3.34Å; V175-N179 PolarHBondContact O-ND2 2.96Å
176	L	66.2	Low	69.1	Low	104 Å²	104	68.8 Å²	68.8	55%	0.545	35%	0.348	S	S	.	.	H	α-helix	trans	-64.2	-46.6	178.6	-175.4	70	0	0	0	111.3	F173 N179 M180	F173-L176 PolarHBondContact O-N 2.91Å; F173-L176 VanDerWaalsContact O-N 3.14Å; L176-N179 PolarHBondContact O-N 3.47Å; L176-M180 PolarHBondContact O-N 3.31Å
177	F	71.2	Confident	68.9	Low	46 Å²	46	65 Å²	65	20%	0.202	33%	0.33	C	S	.	.	H	α-helix	trans	-63.7	-42.5	178	-174.7	-93	0	0	0	111.6	F161 I164 N165 V169 F173 N179 M180 I181	F161-F177 HydrophobicContact CD1-CE1 4.2Å; F161-F177 HydrophobicContact CD1-CZ 4.11Å; I164-F177 HydrophobicContact CG2-CE1 4.36Å; I164-F177 HydrophobicContact CG2-CZ 4Å; N165-F177 HydrophobicContact CB-CD1 3.97Å; N165-F177 HydrophobicContact CB-CE1 4.22Å; N165-F177 WeakPolarHBondContact ND2-CB 3.43Å; N165-F177 WeakPolarHBondContact ND2-CD1 2.94Å; V169-F177 HydrophobicContact CG1-CB 4.37Å; V169-F177 HydrophobicContact CG2-CD1 4.4Å; V169-F177 HydrophobicContact CG2-CD2 4.26Å; V169-F177 HydrophobicContact CG2-CG 4.17Å; F173-F177 PolarHBondContact O-N 3.3Å; F177-N179 PolarHBondContact O-N 2.97Å; F177-M180 HydrophobicContact CD2-CE 4.14Å; F177-M180 HydrophobicContact CE2-CE 4.3Å; F177-M180 WeakPolarHBondContact O-CB 3.42Å; F177-M180 PolarHBondContact O-N 2.9Å; F177-I181 HydrophobicContact CD1-CD1 3.4Å; F177-I181 VanDerWaalsContact CD1-CD1 3.4Å; F177-I181 HydrophobicContact CE1-CD1 3.26Å; F177-I181 HydrophobicContact CE1-CG1 4.39Å; F177-I181 HydrophobicContact CG-CD1 4.31Å; F177-I181 HydrophobicContact CZ-CD1 4.01Å; F177-I181 WeakPolarHBondContact O-CD1 3.48Å; F177-I181 PolarHBondContact O-N 2.99Å; F177-I181 VanDerWaalsContact O-N 3.11Å
178	A	70.1	Confident	69.1	Low	32 Å²	32	63.8 Å²	63.8	26%	0.264	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-42.7	175	0	0	0	0	0	112.1	R174 V175 M180 I181 A182	R174-A178 WeakPolarHBondContact O-CB 3.47Å; R174-A178 PolarHBondContact O-N 2.96Å; V175-A178 PolarHBondContact O-N 2.88Å; A178-M180 VanDerWaalsContact C-N 3.34Å; A178-M180 PolarHBondContact O-N 3.14Å; A178-I181 PolarHBondContact O-N 3.44Å; A178-A182 WeakPolarHBondContact O-CB 3.2Å; A178-A182 PolarHBondContact O-N 2.92Å
179	N	70.1	Confident	68.8	Low	47 Å²	47	56.7 Å²	56.7	25%	0.251	29%	0.287	S	S	.	.	H	α-helix	trans	-63	-39.4	175.5	-77.6	-26.5	0	0	0	112.1	L40 V175 L176 F177 A182 L183	L40-N179 HydrophobicContact CD2-CB 4.33Å; L40-N179 WeakPolarHBondContact CD2-O 3.42Å; V175-N179 WeakPolarHBondContact O-CB 3.21Å; V175-N179 VanDerWaalsContact O-CG 3.28Å; V175-N179 PolarHBondContact O-N 3.34Å; V175-N179 PolarHBondContact O-ND2 2.96Å; L176-N179 PolarHBondContact O-N 3.47Å; F177-N179 PolarHBondContact O-N 2.97Å; N179-A182 PolarHBondContact O-N 3.3Å; N179-L183 PolarHBondContact O-N 3.41Å
180	M	71.1	Confident	68.7	Low	101 Å²	101	55.8 Å²	55.8	50%	0.498	28%	0.283	S	S	.	.	H	α-helix	trans	-61.5	-46.9	176.9	-169.9	176	68.7	0	0	111.3	L176 F177 A178 A182 L183 F184	L176-M180 PolarHBondContact O-N 3.31Å; F177-M180 HydrophobicContact CD2-CE 4.14Å; F177-M180 HydrophobicContact CE2-CE 4.3Å; F177-M180 WeakPolarHBondContact O-CB 3.42Å; F177-M180 PolarHBondContact O-N 2.9Å; A178-M180 VanDerWaalsContact C-N 3.34Å; A178-M180 PolarHBondContact O-N 3.14Å; M180-A182 VanDerWaalsContact C-N 3.34Å; M180-A182 PolarHBondContact O-N 2.86Å; M180-L183 WeakPolarHBondContact O-CB 3.3Å; M180-L183 PolarHBondContact O-N 3.15Å; M180-F184 HydrophobicContact CG-CE2 4.08Å; M180-F184 WeakPolarHBondContact O-CD2 3.38Å; M180-F184 PolarHBondContact O-N 3.22Å
181	I	76.1	Confident	68.8	Low	10 Å²	10	55.6 Å²	55.6	5%	0.051	28%	0.28	C	S	.	.	H	α-helix	trans	-64.1	-40.9	175.8	-65.9	152.7	0	0	0	111.3	V157 W158 F161 F177 A178 L183 F184 W185	V157-I181 HydrophobicContact CG1-CG2 4.15Å; W158-I181 HydrophobicContact CH2-CG2 4.49Å; W158-I181 HydrophobicContact CZ2-CG2 4.45Å; F161-I181 HydrophobicContact CB-CD1 3.47Å; F161-I181 VanDerWaalsContact CB-CD1 3.47Å; F161-I181 HydrophobicContact CB-CG1 4.34Å; F161-I181 HydrophobicContact CB-CG2 4.49Å; F161-I181 HydrophobicContact CD1-CD1 3.76Å; F161-I181 HydrophobicContact CD1-CG1 4.12Å; F161-I181 HydrophobicContact CD2-CD1 4.25Å; F161-I181 HydrophobicContact CD2-CG1 4.22Å; F161-I181 HydrophobicContact CD2-CG2 3.9Å; F161-I181 HydrophobicContact CG-CD1 3.57Å; F161-I181 HydrophobicContact CG-CG1 3.98Å; F161-I181 HydrophobicContact CG-CG2 4.3Å; F177-I181 HydrophobicContact CD1-CD1 3.4Å; F177-I181 VanDerWaalsContact CD1-CD1 3.4Å; F177-I181 HydrophobicContact CE1-CD1 3.26Å; F177-I181 HydrophobicContact CE1-CG1 4.39Å; F177-I181 HydrophobicContact CG-CD1 4.31Å; F177-I181 HydrophobicContact CZ-CD1 4.01Å; F177-I181 WeakPolarHBondContact O-CD1 3.48Å; F177-I181 PolarHBondContact O-N 2.99Å; F177-I181 VanDerWaalsContact O-N 3.11Å; A178-I181 PolarHBondContact O-N 3.44Å; I181-L183 VanDerWaalsContact C-N 3.27Å; I181-L183 PolarHBondContact O-N 3.28Å; I181-F184 PolarHBondContact O-N 2.99Å; I181-W185 WeakPolarHBondContact O-CB 3.49Å; I181-W185 PolarHBondContact O-N 3.33Å
182	A	69.6	Low	69.1	Low	10 Å²	10	51.8 Å²	51.8	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-36.5	177.1	0	0	0	0	0	111.9	L40 W158 A178 N179 M180 W185 Y186	L40-A182 HydrophobicContact CD2-CB 3.56Å; W158-A182 HydrophobicContact CH2-CB 4.04Å; W158-A182 HydrophobicContact CZ2-CB 4.15Å; A178-A182 WeakPolarHBondContact O-CB 3.2Å; A178-A182 PolarHBondContact O-N 2.92Å; N179-A182 PolarHBondContact O-N 3.3Å; M180-A182 VanDerWaalsContact C-N 3.34Å; M180-A182 PolarHBondContact O-N 2.86Å; A182-W185 WeakPolarHBondContact O-CB 3.43Å; A182-W185 PolarHBondContact O-N 3.48Å; A182-Y186 HydrophobicContact CB-CE2 4.19Å; A182-Y186 WeakPolarHBondContact O-CD2 3.35Å; A182-Y186 PolarHBondContact O-N 2.87Å
183	L	70.1	Confident	69.2	Low	43 Å²	43	47.5 Å²	47.5	23%	0.225	24%	0.236	C	C	.	.	H	α-helix	trans	-58.4	-50.8	172.8	-162	157	0	0	0	111.3	L40 L47 N179 M180 I181 W185 Y186 A187	L40-L183 HydrophobicContact CD1-CB 3.73Å; L40-L183 HydrophobicContact CD1-CD1 3.85Å; L40-L183 HydrophobicContact CD1-CG 3.97Å; L40-L183 HydrophobicContact CG-CB 4.31Å; L47-L183 HydrophobicContact CD2-CD2 3.85Å; N179-L183 PolarHBondContact O-N 3.41Å; M180-L183 WeakPolarHBondContact O-CB 3.3Å; M180-L183 PolarHBondContact O-N 3.15Å; I181-L183 VanDerWaalsContact C-N 3.27Å; I181-L183 PolarHBondContact O-N 3.28Å; L183-W185 VanDerWaalsContact C-N 3.27Å; L183-W185 PolarHBondContact O-N 2.89Å; L183-Y186 PolarHBondContact O-N 3.13Å; L183-A187 PolarHBondContact O-N 2.83Å
184	F	71.6	Confident	68.7	Low	132 Å²	132	49.9 Å²	49.9	58%	0.579	25%	0.246	S	C	*	.	H	α-helix	trans	-61.6	-36.9	176.5	-73.1	-73.1	0	0	0	112.2	M180 I181 A187 Y188	M180-F184 HydrophobicContact CG-CE2 4.08Å; M180-F184 WeakPolarHBondContact O-CD2 3.38Å; M180-F184 PolarHBondContact O-N 3.22Å; I181-F184 PolarHBondContact O-N 2.99Å; F184-A187 PolarHBondContact O-N 2.98Å; F184-Y188 WeakPolarHBondContact O-CB 3.33Å; F184-Y188 PolarHBondContact O-N 3.32Å
185	W	76.8	Confident	68.7	Low	18 Å²	18	48.4 Å²	48.4	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-46.2	176.2	-177.2	-107.9	0	0	0	112.2	A150 M153 N154 V157 W158 I181 A182 L183 A187 Y188 L189	A150-W185 WeakPolarHBondContact O-CH2 3.39Å; M153-W185 HydrophobicContact CB-CH2 4.34Å; M153-W185 HydrophobicContact CB-CZ3 4.31Å; M153-W185 HydrophobicContact CG-CZ3 4.2Å; N154-W185 HydrophobicContact CB-CH2 3.44Å; N154-W185 VanDerWaalsContact CB-CH2 3.44Å; N154-W185 HydrophobicContact CB-CZ2 3.52Å; N154-W185 HydrophobicContact CB-CZ3 4.2Å; N154-W185 WeakPolarHBondContact ND2-CZ2 3.27Å; V157-W185 HydrophobicContact CB-CE3 4.34Å; V157-W185 HydrophobicContact CB-CZ3 4.38Å; V157-W185 HydrophobicContact CG1-CE3 4.26Å; V157-W185 HydrophobicContact CG2-CE3 4.44Å; V157-W185 HydrophobicContact CG2-CZ3 4.27Å; W158-W185 HydrophobicContact CZ2-CB 4.46Å; W158-W185 AromaticContact NE1-CD1 3.94Å; W158-W185 AromaticContact NE1-CD2 3.67Å; W158-W185 AromaticContact NE1-CG 3.62Å; I181-W185 WeakPolarHBondContact O-CB 3.49Å; I181-W185 PolarHBondContact O-N 3.33Å; A182-W185 WeakPolarHBondContact O-CB 3.43Å; A182-W185 PolarHBondContact O-N 3.48Å; L183-W185 VanDerWaalsContact C-N 3.27Å; L183-W185 PolarHBondContact O-N 2.89Å; W185-A187 VanDerWaalsContact C-N 3.32Å; W185-A187 PolarHBondContact O-N 3.37Å; W185-Y188 HydrophobicContact CE3-CD1 4.35Å; W185-Y188 HydrophobicContact CH2-CD1 4.17Å; W185-Y188 HydrophobicContact CH2-CE1 4.32Å; W185-Y188 AromaticContact CZ3-CD1 3.87Å; W185-Y188 HydrophobicContact CZ3-CD1 3.87Å; W185-Y188 HydrophobicContact CZ3-CE1 4.23Å; W185-Y188 PolarHBondContact O-N 3.46Å; W185-L189 HydrophobicContact CZ2-CD1 4.37Å; W185-L189 HydrophobicContact CZ2-CD2 4Å; W185-L189 HydrophobicContact CZ2-CG 4.08Å; W185-L189 VanDerWaalsContact NE1-CD1 3.31Å; W185-L189 PolarHBondContact O-N 3.34Å
186	Y	68.3	Low	69	Low	26 Å²	26	48.2 Å²	48.2	10%	0.102	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-39.2	175.6	-70.1	-55.5	0	0	0	111.9	S37 L40 S41 A182 L183 Y188 L189 A190	S37-Y186 PolarHBondContact OG-OH 2.92Å; L40-Y186 HydrophobicContact CB-CD2 4.41Å; L40-Y186 HydrophobicContact CB-CE2 4.24Å; L40-Y186 HydrophobicContact CD2-CD2 4.33Å; L40-Y186 HydrophobicContact CD2-CE2 4Å; L40-Y186 HydrophobicContact CG-CD2 4.02Å; L40-Y186 HydrophobicContact CG-CE2 4.07Å; S41-Y186 WeakPolarHBondContact OG-CE1 3.38Å; A182-Y186 HydrophobicContact CB-CE2 4.19Å; A182-Y186 WeakPolarHBondContact O-CD2 3.35Å; A182-Y186 PolarHBondContact O-N 2.87Å; L183-Y186 PolarHBondContact O-N 3.13Å; Y186-Y188 PolarHBondContact O-N 2.77Å; Y186-L189 PolarHBondContact O-N 3.02Å; Y186-A190 WeakPolarHBondContact O-CB 3.33Å; Y186-A190 PolarHBondContact O-N 3.36Å
187	A	68.6	Low	69.2	Low	8 Å²	8	45.1 Å²	45.1	7%	0.066	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-40.9	175.1	0	0	0	0	0	112.3	G44 L47 S48 L183 F184 W185 A190 T191	G44-A187 WeakPolarHBondContact O-CA 3.5Å; L47-A187 HydrophobicContact CD2-CB 3.96Å; S48-A187 WeakPolarHBondContact CB-O 3.47Å; S48-A187 PolarHBondContact OG-O 3.01Å; L183-A187 PolarHBondContact O-N 2.83Å; F184-A187 PolarHBondContact O-N 2.98Å; W185-A187 VanDerWaalsContact C-N 3.32Å; W185-A187 PolarHBondContact O-N 3.37Å; A187-A190 PolarHBondContact O-N 2.9Å; A187-T191 PolarHBondContact O-N 2.87Å; A187-T191 PolarHBondContact O-OG1 3.03Å; A187-T191 VanDerWaalsContact O-OG1 3.13Å
188	Y	74.4	Confident	69	Low	71 Å²	71	45.1 Å²	45.1	28%	0.278	22%	0.224	S	C	.	.	H	α-helix	trans	-65.5	-45.6	175	177.3	-99.9	0	0	0	112.2	M153 F184 W185 Y186 A190 T191 V192	M153-Y188 HydrophobicContact CB-CE1 3.88Å; M153-Y188 HydrophobicContact CG-CD1 4.43Å; M153-Y188 HydrophobicContact CG-CE1 3.66Å; M153-Y188 HydrophobicContact CG-CE2 4.4Å; F184-Y188 WeakPolarHBondContact O-CB 3.33Å; F184-Y188 PolarHBondContact O-N 3.32Å; W185-Y188 HydrophobicContact CE3-CD1 4.35Å; W185-Y188 HydrophobicContact CH2-CD1 4.17Å; W185-Y188 HydrophobicContact CH2-CE1 4.32Å; W185-Y188 AromaticContact CZ3-CD1 3.87Å; W185-Y188 HydrophobicContact CZ3-CD1 3.87Å; W185-Y188 HydrophobicContact CZ3-CE1 4.23Å; W185-Y188 PolarHBondContact O-N 3.46Å; Y186-Y188 PolarHBondContact O-N 2.77Å; Y188-A190 VanDerWaalsContact C-N 3.27Å; Y188-A190 PolarHBondContact O-N 3.39Å; Y188-T191 PolarHBondContact O-N 3.04Å; Y188-T191 VanDerWaalsContact O-N 3.11Å; Y188-V192 HydrophobicContact CD1-CG2 4.08Å; Y188-V192 HydrophobicContact CD2-CG2 4.17Å; Y188-V192 HydrophobicContact CE1-CB 4.49Å; Y188-V192 HydrophobicContact CE1-CG2 3.56Å; Y188-V192 HydrophobicContact CE2-CG2 3.67Å; Y188-V192 HydrophobicContact CG-CG2 4.36Å; Y188-V192 PolarHBondContact O-N 3.48Å
189	L	68.6	Low	69	Low	6 Å²	6	45.9 Å²	45.9	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-41.2	175.7	-81.2	177	0	0	0	111.6	L121 F124 A150 W185 Y186 T191 V192 R193	L121-L189 HydrophobicContact CD1-CD2 3.79Å; F124-L189 HydrophobicContact CE1-CD1 4.46Å; A150-L189 HydrophobicContact CB-CD2 4.31Å; W185-L189 HydrophobicContact CZ2-CD1 4.37Å; W185-L189 HydrophobicContact CZ2-CD2 4Å; W185-L189 HydrophobicContact CZ2-CG 4.08Å; W185-L189 VanDerWaalsContact NE1-CD1 3.31Å; W185-L189 PolarHBondContact O-N 3.34Å; Y186-L189 PolarHBondContact O-N 3.02Å; L189-T191 VanDerWaalsContact C-N 3.31Å; L189-T191 PolarHBondContact O-N 3.3Å; L189-V192 PolarHBondContact O-N 3.42Å; L189-R193 WeakPolarHBondContact O-CB 3.42Å; L189-R193 PolarHBondContact O-N 3.4Å
190	A	67.1	Low	68.9	Low	4 Å²	4	45.8 Å²	45.8	3%	0.033	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-37.3	176.2	0	0	0	0	0	112.8	S48 Y74 Y186 A187 Y188 K194	S48-A190 WeakPolarHBondContact OG-CB 3.44Å; Y74-A190 VanDerWaalsContact OH-CA 3.31Å; Y74-A190 WeakPolarHBondContact OH-CA 3.36Å; Y186-A190 WeakPolarHBondContact O-CB 3.33Å; Y186-A190 PolarHBondContact O-N 3.36Å; A187-A190 PolarHBondContact O-N 2.9Å; Y188-A190 VanDerWaalsContact C-N 3.27Å; Y188-A190 PolarHBondContact O-N 3.39Å; A190-K194 PolarHBondContact O-N 3.03Å
191	T	68	Low	68.7	Low	69 Å²	69	41.9 Å²	41.9	42%	0.423	20%	0.2	S	C	.	.	H	α-helix	trans	-73	-43.4	176.1	-52.1	0	0	0	0	112.5	S48 A187 Y188 L189 R193 K194	S48-T191 PolarHBondContact OG-N 2.94Å; S48-T191 PolarHBondContact OG-OG1 3.1Å; A187-T191 PolarHBondContact O-N 2.87Å; A187-T191 PolarHBondContact O-OG1 3.03Å; A187-T191 VanDerWaalsContact O-OG1 3.13Å; Y188-T191 PolarHBondContact O-N 3.04Å; Y188-T191 VanDerWaalsContact O-N 3.11Å; L189-T191 VanDerWaalsContact C-N 3.31Å; L189-T191 PolarHBondContact O-N 3.3Å; T191-R193 VanDerWaalsContact C-N 3.27Å; T191-R193 PolarHBondContact O-N 2.88Å; T191-K194 PolarHBondContact O-N 3.39Å
192	V	68.8	Low	68.2	Low	27 Å²	27	44.3 Å²	44.3	16%	0.164	21%	0.211	C	C	.	.	H	α-helix	trans	-71.1	-24.7	-179.5	171.8	0	0	0	0	112.4	Y188 L189	Y188-V192 HydrophobicContact CD1-CG2 4.08Å; Y188-V192 HydrophobicContact CD2-CG2 4.17Å; Y188-V192 HydrophobicContact CE1-CB 4.49Å; Y188-V192 HydrophobicContact CE1-CG2 3.56Å; Y188-V192 HydrophobicContact CE2-CG2 3.67Å; Y188-V192 HydrophobicContact CG-CG2 4.36Å; Y188-V192 PolarHBondContact O-N 3.48Å; L189-V192 PolarHBondContact O-N 3.42Å
193	R	60.5	Low	68.1	Low	22 Å²	22	47.2 Å²	47.2	8%	0.083	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-15.1	177.4	-160.4	-168.2	83.4	-159.2	1.2	113.2	Y74 Y125 E132 K142 L189 T191	Y74-R193 VanDerWaalsContact OH-CZ 3.3Å; Y74-R193 PolarHBondContact OH-NH1 3Å; Y125-R193 HydrophobicContact CD1-CG 4.43Å; Y125-R193 HydrophobicContact CE1-CG 3.95Å; E132-R193 IonicContact OE1-CZ 2.69Å; E132-R193 VanDerWaalsContact OE1-CZ 3.23Å; E132-R193 IonicContact OE1-NE 2.61Å; E132-R193 PolarHBondContact OE1-NE 3.04Å; E132-R193 IonicContact OE1-NH2 3.23Å; E132-R193 PolarHBondContact OE1-NH2 3.14Å; K142-R193 WeakPolarHBondContact CE-O 3.42Å; K142-R193 PolarHBondContact NZ-O 3.03Å; L189-R193 WeakPolarHBondContact O-CB 3.42Å; L189-R193 PolarHBondContact O-N 3.4Å; T191-R193 VanDerWaalsContact C-N 3.27Å; T191-R193 PolarHBondContact O-N 2.88Å
194	K	54.1	Low	67.9	Low	140 Å²	140	47.5 Å²	47.5	61%	0.609	22%	0.222	S	C	*	.			trans	-72.9	0	170.8	-81.1	-175.5	176.6	-175.6	0	108.7	E52 K142 A190 T191	E52-K194 WeakPolarHBondContact OE2-CD 3.29Å; E52-K194 WeakPolarHBondContact OE2-CE 3.49Å; E52-K194 IonicContact OE2-NZ 3.39Å; E52-K194 PolarHBondContact OE2-NZ 2.79Å; K142-K194 PolarHBondContact NZ-O 2.84Å; A190-K194 PolarHBondContact O-N 3.03Å; T191-K194 PolarHBondContact O-N 3.39Å

Retrieved 194 of 194 residues in 285.6 ms (Link to these results)

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