A0A087Y892_POEFO Loading...

Potassium voltage-gated channel interacting protein 2

AlphaFold DB , UniProt , Accession A0A087Y892, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 237 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	36.3	Very low	32.9	Very low	225 Å²	225	156 Å²	156	100%	1.108	72%	0.718	S	S	*	*				0	-20.6	0	-145.6	163.1	175.6	0	0	113.5
2	H	30.2	Very low	33	Very low	181 Å²	181	151.2 Å²	151.2	84%	0.838	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-0.6	-179.3	-122.6	-72.5	0	0	0	116.2
3	L	33.4	Very low	32.9	Very low	135 Å²	135	142.5 Å²	142.5	71%	0.707	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-10.6	-176.1	-69.2	167.3	0	0	0	113.2
4	F	29.6	Very low	33.2	Very low	187 Å²	187	142 Å²	142	82%	0.82	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-12.2	-176.9	-133.2	-94.8	0	0	0	113.4
5	F	28.3	Very low	33.1	Very low	157 Å²	157	138.9 Å²	138.9	69%	0.689	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-7.1	177.2	-100.1	-85.4	0	0	0	113.2
6	R	32.9	Very low	33.1	Very low	168 Å²	168	134.7 Å²	134.7	63%	0.634	65%	0.646	S	S	*	*	H	α-helix	trans	-87.8	-38.8	-177.1	-157.1	162.4	102.3	176	7.2	112.1	K8	R6-K8 VanDerWaalsContact C-N 3.27Å; R6-K8 PolarHBondContact O-N 2.81Å
7	D	34.8	Very low	33.3	Very low	109 Å²	109	131.6 Å²	131.6	58%	0.583	64%	0.638	S	S	*	*	H	α-helix	trans	-72.5	-17.2	179	-62.2	-17.5	0	0	0	113.6
8	K	31.4	Very low	33.5	Very low	146 Å²	146	125.6 Å²	125.6	64%	0.635	62%	0.615	S	S	*	*	H	α-helix	trans	-89	-25.6	-179.5	-154.9	168.6	-177.4	172.4	0	113.3	R6	R6-K8 VanDerWaalsContact C-N 3.27Å; R6-K8 PolarHBondContact O-N 2.81Å
9	W	32.1	Very low	33.7	Very low	182 Å²	182	123.2 Å²	123.2	69%	0.689	60%	0.604	S	S	*	*	H	α-helix	trans	-85.1	-18.4	175.4	-79.4	79.5	0	0	0	113.3	G13	W9-G13 PolarHBondContact O-N 3.04Å
10	E	38.1	Very low	33.7	Very low	129 Å²	129	121.7 Å²	121.7	60%	0.603	60%	0.599	S	S	*	*	H	α-helix	trans	-76.2	-18.3	-177	-93.6	171.1	169.6	0	0	114.4
11	V	35	Very low	34	Very low	97 Å²	97	119.2 Å²	119.2	59%	0.588	59%	0.588	S	S	*	*	H	α-helix	trans	-100	-28.1	177.7	-139.9	0	0	0	0	112	Q15	V11-Q15 WeakPolarHBondContact O-CG 3.2Å
12	E	33.4	Very low	34.4	Very low	98 Å²	98	110.3 Å²	110.3	46%	0.458	55%	0.546	S	S	.	.	H	α-helix	trans	-82.1	-27.8	179.7	-65.1	-178.3	174.6	0	0	112	L14 T16	E12-L14 PolarHBondContact O-N 2.92Å; E12-T16 PolarHBondContact O-N 3.04Å; E12-T16 PolarHBondContact O-OG1 3.35Å
13	G	32.4	Very low	35	Very low	38 Å²	38	104.3 Å²	104.3	39%	0.392	52%	0.522	S	S	.	.	H	α-helix	trans	-68.2	-32.6	-177.2	0	0	0	0	0	115	W9 V17	W9-G13 PolarHBondContact O-N 3.04Å; G13-V17 WeakPolarHBondContact O-CG2 3.48Å
14	L	36.4	Very low	35.2	Very low	136 Å²	136	100 Å²	100	71%	0.712	50%	0.503	S	S	*	.	H	α-helix	trans	-84.4	-31.8	-178.9	-148.9	73.5	0	0	0	112.1	E12 T16 V17	E12-L14 PolarHBondContact O-N 2.92Å; L14-T16 PolarHBondContact O-N 2.84Å; L14-V17 PolarHBondContact O-N 3.33Å
15	Q	32.5	Very low	35.8	Very low	95 Å²	95	93 Å²	93	44%	0.444	48%	0.476	S	S	.	.	H	α-helix	trans	-62.4	-32.6	170.4	-66.8	179	-23.6	0	0	111.5	V11 I19 L232	V11-Q15 WeakPolarHBondContact O-CG 3.2Å; Q15-I19 VanDerWaalsContact O-CD1 3.22Å; Q15-I19 WeakPolarHBondContact O-CD1 3.41Å; Q15-I19 VanDerWaalsContact O-CG1 3.23Å; Q15-I19 WeakPolarHBondContact O-CG1 3.44Å; Q15-L232 HydrophobicContact CG-CD2 4.33Å
16	T	32.3	Very low	36.5	Very low	72 Å²	72	86.9 Å²	86.9	44%	0.442	45%	0.454	S	S	.	.	H	α-helix	trans	-74.8	-25.8	-176.9	-51.8	0	0	0	0	113	E12 L14 L20	E12-T16 PolarHBondContact O-N 3.04Å; E12-T16 PolarHBondContact O-OG1 3.35Å; L14-T16 PolarHBondContact O-N 2.84Å; T16-L20 HydrophobicContact CG2-CD1 3.78Å; T16-L20 WeakPolarHBondContact O-CB 3.3Å; T16-L20 WeakPolarHBondContact O-CD1 3.27Å; T16-L20 PolarHBondContact O-N 3.45Å
17	V	37	Very low	36.7	Very low	82 Å²	82	82.1 Å²	82.1	50%	0.497	44%	0.44	S	S	.	.	H	α-helix	trans	-84.6	-37.6	-171.4	177.4	0	0	0	0	113.2	G13 L14 L20 L21	G13-V17 WeakPolarHBondContact O-CG2 3.48Å; L14-V17 PolarHBondContact O-N 3.33Å; V17-L20 PolarHBondContact O-N 3.26Å; V17-L21 HydrophobicContact CG1-CD1 4.15Å; V17-L21 WeakPolarHBondContact O-CB 3.47Å; V17-L21 WeakPolarHBondContact O-CD1 3.31Å; V17-L21 VanDerWaalsContact O-CG 3.23Å; V17-L21 WeakPolarHBondContact O-CG 3.03Å; V17-L21 PolarHBondContact O-N 3.45Å
18	G	36.3	Very low	37.1	Very low	23 Å²	23	84.3 Å²	84.3	24%	0.237	45%	0.445	C	S	.	.	H	α-helix	trans	-69.2	-44.4	173.1	0	0	0	0	0	111.9	L20 L21 V22	G18-L20 PolarHBondContact O-N 2.94Å; G18-L21 PolarHBondContact O-N 2.93Å; G18-V22 PolarHBondContact O-N 2.73Å
19	I	38.3	Very low	37.6	Very low	80 Å²	80	80.5 Å²	80.5	41%	0.41	43%	0.431	S	S	.	.	H	α-helix	trans	-59.7	-45.9	171.5	-63.9	172.3	0	0	0	109.7	Q15 L21 V23 N235	Q15-I19 VanDerWaalsContact O-CD1 3.22Å; Q15-I19 WeakPolarHBondContact O-CD1 3.41Å; Q15-I19 VanDerWaalsContact O-CG1 3.23Å; Q15-I19 WeakPolarHBondContact O-CG1 3.44Å; I19-L21 PolarHBondContact O-N 3.43Å; I19-V23 HydrophobicContact CG2-CG2 3.96Å; I19-V23 WeakPolarHBondContact O-CA 3.2Å; I19-V23 WeakPolarHBondContact O-CB 3.15Å; I19-V23 WeakPolarHBondContact O-CG2 3.17Å; I19-V23 PolarHBondContact O-N 3.5Å; I19-N235 VanDerWaalsContact CG1-O 3.24Å; I19-N235 WeakPolarHBondContact CG1-O 3.49Å
20	L	34.1	Very low	38	Very low	94 Å²	94	74.8 Å²	74.8	49%	0.492	41%	0.413	S	S	.	.	H	α-helix	trans	-63	-23.3	173.4	-118	100.8	0	0	0	113.1	T16 V17 G18 C24	T16-L20 HydrophobicContact CG2-CD1 3.78Å; T16-L20 WeakPolarHBondContact O-CB 3.3Å; T16-L20 WeakPolarHBondContact O-CD1 3.27Å; T16-L20 PolarHBondContact O-N 3.45Å; V17-L20 PolarHBondContact O-N 3.26Å; G18-L20 PolarHBondContact O-N 2.94Å; L20-C24 VanDerWaalsContact CD2-SG 3.59Å; L20-C24 WeakPolarHBondContact O-CA 3.32Å; L20-C24 WeakPolarHBondContact O-CB 3.35Å; L20-C24 PolarHBondContact O-N 3.38Å; L20-C24 PolarHBondContact O-SG 2.89Å
21	L	38.9	Very low	38	Very low	70 Å²	70	74.9 Å²	74.9	37%	0.366	41%	0.413	S	S	.	.	H	α-helix	trans	-85.5	-38.2	-174.2	-81.9	167	0	0	0	112.4	V17 G18 I19 S25	V17-L21 HydrophobicContact CG1-CD1 4.15Å; V17-L21 WeakPolarHBondContact O-CB 3.47Å; V17-L21 WeakPolarHBondContact O-CD1 3.31Å; V17-L21 VanDerWaalsContact O-CG 3.23Å; V17-L21 WeakPolarHBondContact O-CG 3.03Å; V17-L21 PolarHBondContact O-N 3.45Å; G18-L21 PolarHBondContact O-N 2.93Å; I19-L21 PolarHBondContact O-N 3.43Å; L21-S25 WeakPolarHBondContact O-CA 3.42Å; L21-S25 WeakPolarHBondContact O-CB 3.41Å; L21-S25 PolarHBondContact O-N 3.09Å; L21-S25 PolarHBondContact O-OG 2.65Å
22	V	45.4	Very low	38.3	Very low	38 Å²	38	77.4 Å²	77.4	23%	0.23	42%	0.416	C	S	.	.	H	α-helix	trans	-85	-35.2	171.4	-172.5	0	0	0	0	111.4	G18 S25 S26 V236 I237	G18-V22 PolarHBondContact O-N 2.73Å; V22-S25 WeakPolarHBondContact CA-OG 3.49Å; V22-S25 PolarHBondContact O-OG 3.4Å; V22-S26 WeakPolarHBondContact O-CA 3.38Å; V22-S26 WeakPolarHBondContact O-CB 3.48Å; V22-S26 PolarHBondContact O-N 2.95Å; V22-S26 PolarHBondContact O-OG 2.85Å; V22-V236 WeakPolarHBondContact CG2-O 3.37Å; V22-I237 VanDerWaalsContact CB-OXT 3.27Å; V22-I237 WeakPolarHBondContact CB-OXT 3.41Å; V22-I237 HydrophobicContact CG1-CG2 3.96Å; V22-I237 WeakPolarHBondContact CG1-OXT 3.43Å
23	V	42	Very low	38.6	Very low	54 Å²	54	73.7 Å²	73.7	33%	0.327	40%	0.399	S	S	.	.	H	α-helix	trans	-72.4	-31.8	170.6	-177.8	0	0	0	0	111.5	I19 S26 L27	I19-V23 HydrophobicContact CG2-CG2 3.96Å; I19-V23 WeakPolarHBondContact O-CA 3.2Å; I19-V23 WeakPolarHBondContact O-CB 3.15Å; I19-V23 WeakPolarHBondContact O-CG2 3.17Å; I19-V23 PolarHBondContact O-N 3.5Å; V23-S26 WeakPolarHBondContact CA-OG 3.49Å; V23-S26 PolarHBondContact O-OG 3.06Å; V23-L27 HydrophobicContact CG1-CD1 3.38Å; V23-L27 HydrophobicContact CG1-CG 3.78Å; V23-L27 VanDerWaalsContact O-CA 3.27Å; V23-L27 WeakPolarHBondContact O-CA 3.4Å; V23-L27 WeakPolarHBondContact O-CB 3.28Å; V23-L27 VanDerWaalsContact O-CD1 3.31Å; V23-L27 WeakPolarHBondContact O-CD1 3.32Å; V23-L27 WeakPolarHBondContact O-CG 3.24Å; V23-L27 PolarHBondContact O-N 3.2Å
24	C	38.8	Very low	38.8	Very low	46 Å²	46	74.6 Å²	74.6	31%	0.311	41%	0.408	S	S	.	.	H	α-helix	trans	-84.1	-28.1	167.9	-64	0	0	0	0	113.4	L20 S26 K28	L20-C24 VanDerWaalsContact CD2-SG 3.59Å; L20-C24 WeakPolarHBondContact O-CA 3.32Å; L20-C24 WeakPolarHBondContact O-CB 3.35Å; L20-C24 PolarHBondContact O-N 3.38Å; L20-C24 PolarHBondContact O-SG 2.89Å; C24-S26 VanDerWaalsContact C-N 3.32Å; C24-K28 VanDerWaalsContact O-CA 3.24Å; C24-K28 WeakPolarHBondContact O-CA 3.25Å; C24-K28 WeakPolarHBondContact O-CB 3.32Å; C24-K28 PolarHBondContact O-N 3.18Å
25	S	41.7	Very low	39	Very low	38 Å²	38	71.1 Å²	71.1	27%	0.266	39%	0.39	S	S	.	.	H	α-helix	trans	-70.9	-33.8	170.8	52.7	0	0	0	0	110.6	L21 V22 L29	L21-S25 WeakPolarHBondContact O-CA 3.42Å; L21-S25 WeakPolarHBondContact O-CB 3.41Å; L21-S25 PolarHBondContact O-N 3.09Å; L21-S25 PolarHBondContact O-OG 2.65Å; V22-S25 WeakPolarHBondContact CA-OG 3.49Å; V22-S25 PolarHBondContact O-OG 3.4Å; S25-L29 WeakPolarHBondContact O-CA 3.45Å; S25-L29 WeakPolarHBondContact O-CB 3.37Å; S25-L29 PolarHBondContact O-N 3.05Å
26	S	42.8	Very low	39.3	Very low	30 Å²	30	70.3 Å²	70.3	21%	0.21	39%	0.388	C	S	.	.	H	α-helix	trans	-78.7	-37	170.1	67	0	0	0	0	114	V22 V23 C24 M30	V22-S26 WeakPolarHBondContact O-CA 3.38Å; V22-S26 WeakPolarHBondContact O-CB 3.48Å; V22-S26 PolarHBondContact O-N 2.95Å; V22-S26 PolarHBondContact O-OG 2.85Å; V23-S26 WeakPolarHBondContact CA-OG 3.49Å; V23-S26 PolarHBondContact O-OG 3.06Å; C24-S26 VanDerWaalsContact C-N 3.32Å; S26-M30 VanDerWaalsContact C-CE 3.49Å; S26-M30 WeakPolarHBondContact O-CB 3.28Å; S26-M30 VanDerWaalsContact O-CE 3.26Å; S26-M30 WeakPolarHBondContact O-CE 2.99Å; S26-M30 WeakPolarHBondContact O-CG 3.11Å; S26-M30 PolarHBondContact O-N 3.44Å
27	L	37.7	Very low	39.5	Very low	67 Å²	67	73 Å²	73	35%	0.351	40%	0.4	S	S	.	.	H	α-helix	trans	-72.7	-29.8	171.5	-73.4	166.7	0	0	0	112	V23 M30 H31 I36	V23-L27 HydrophobicContact CG1-CD1 3.38Å; V23-L27 HydrophobicContact CG1-CG 3.78Å; V23-L27 VanDerWaalsContact O-CA 3.27Å; V23-L27 WeakPolarHBondContact O-CA 3.4Å; V23-L27 WeakPolarHBondContact O-CB 3.28Å; V23-L27 VanDerWaalsContact O-CD1 3.31Å; V23-L27 WeakPolarHBondContact O-CD1 3.32Å; V23-L27 WeakPolarHBondContact O-CG 3.24Å; V23-L27 PolarHBondContact O-N 3.2Å; L27-M30 HydrophobicContact CD2-CE 4.05Å; L27-M30 HydrophobicContact CG-CE 4.26Å; L27-M30 CarbonylContact O-C 3.32Å; L27-H31 WeakPolarHBondContact O-CA 3.45Å; L27-H31 WeakPolarHBondContact O-CB 3.39Å; L27-H31 PolarHBondContact O-N 3.07Å; L27-I36 HydrophobicContact CB-CD1 4.33Å; L27-I36 HydrophobicContact CD2-CD1 3.41Å; L27-I36 VanDerWaalsContact CD2-CD1 3.41Å; L27-I36 HydrophobicContact CG-CD1 4.46Å
28	K	41.8	Very low	39.6	Very low	156 Å²	156	77 Å²	77	68%	0.678	42%	0.417	S	S	*	.	H	α-helix	trans	-85.1	-28.3	175	-155.6	166.7	-171.5	176.1	0	110.1	C24 F32	C24-K28 VanDerWaalsContact O-CA 3.24Å; C24-K28 WeakPolarHBondContact O-CA 3.25Å; C24-K28 WeakPolarHBondContact O-CB 3.32Å; C24-K28 PolarHBondContact O-N 3.18Å; K28-F32 WeakPolarHBondContact O-CA 3.32Å; K28-F32 WeakPolarHBondContact O-CB 3.37Å; K28-F32 PolarHBondContact O-N 3.49Å
29	L	41.5	Very low	39.4	Very low	65 Å²	65	79.8 Å²	79.8	34%	0.34	43%	0.433	S	S	.	.	H	α-helix	trans	-60.5	-52.2	157.6	-123.8	87.8	0	0	0	109.2	S25 H31 F32 L33	S25-L29 WeakPolarHBondContact O-CA 3.45Å; S25-L29 WeakPolarHBondContact O-CB 3.37Å; S25-L29 PolarHBondContact O-N 3.05Å; L29-H31 VanDerWaalsContact C-N 3.31Å; L29-H31 PolarHBondContact O-N 3.3Å; L29-F32 CarbonylContact O-C 3.29Å; L29-F32 PolarHBondContact O-N 2.82Å; L29-L33 HydrophobicContact CB-CD1 4Å; L29-L33 HydrophobicContact CD2-CD1 3.62Å; L29-L33 HydrophobicContact CG-CD1 3.65Å; L29-L33 WeakPolarHBondContact O-CA 3.36Å; L29-L33 WeakPolarHBondContact O-CB 3.3Å; L29-L33 VanDerWaalsContact O-CD1 3.28Å; L29-L33 WeakPolarHBondContact O-CD1 3.14Å; L29-L33 WeakPolarHBondContact O-CG 3.45Å; L29-L33 PolarHBondContact O-N 2.77Å
30	M	41.7	Very low	39.3	Very low	63 Å²	63	82.7 Å²	82.7	31%	0.31	45%	0.453	S	S	.	.	H	α-helix	trans	-62.9	-34.5	-179.3	-75.7	-176.7	-87	0	0	112	S26 L27 L33 G34 L35 I36	S26-M30 VanDerWaalsContact C-CE 3.49Å; S26-M30 WeakPolarHBondContact O-CB 3.28Å; S26-M30 VanDerWaalsContact O-CE 3.26Å; S26-M30 WeakPolarHBondContact O-CE 2.99Å; S26-M30 WeakPolarHBondContact O-CG 3.11Å; S26-M30 PolarHBondContact O-N 3.44Å; L27-M30 HydrophobicContact CD2-CE 4.05Å; L27-M30 HydrophobicContact CG-CE 4.26Å; L27-M30 CarbonylContact O-C 3.32Å; M30-L33 CarbonylContact O-C 3.57Å; M30-G34 CarbonylContact O-C 3.55Å; M30-G34 PolarHBondContact O-N 3.48Å; M30-L35 HydrophobicContact CB-CB 4.05Å; M30-L35 HydrophobicContact CB-CD1 4.28Å; M30-L35 HydrophobicContact CG-CB 4.37Å; M30-L35 HydrophobicContact CG-CD1 3.8Å; M30-L35 PolarHBondContact O-N 2.8Å; M30-I36 HydrophobicContact CB-CD1 4.39Å; M30-I36 HydrophobicContact CB-CG1 4.4Å
31	H	38.5	Very low	39.1	Very low	131 Å²	131	82.7 Å²	82.7	61%	0.606	47%	0.467	S	S	*	.	H	α-helix	trans	-79	-38.4	175.7	-179	-83.2	0	0	0	111.9	L27 L29 L33 G34	L27-H31 WeakPolarHBondContact O-CA 3.45Å; L27-H31 WeakPolarHBondContact O-CB 3.39Å; L27-H31 PolarHBondContact O-N 3.07Å; L29-H31 VanDerWaalsContact C-N 3.31Å; L29-H31 PolarHBondContact O-N 3.3Å; H31-L33 VanDerWaalsContact C-N 3.26Å; H31-L33 PolarHBondContact O-N 2.81Å; H31-G34 PolarHBondContact O-N 3.14Å
32	F	41	Very low	39.1	Very low	149 Å²	149	86.8 Å²	86.8	65%	0.654	49%	0.49	S	S	*	.	H	α-helix	trans	-70.6	-23.9	173.5	-172.7	-107.9	0	0	0	112.4	K28 L29	K28-F32 WeakPolarHBondContact O-CA 3.32Å; K28-F32 WeakPolarHBondContact O-CB 3.37Å; K28-F32 PolarHBondContact O-N 3.49Å; L29-F32 CarbonylContact O-C 3.29Å; L29-F32 PolarHBondContact O-N 2.82Å
33	L	39.4	Very low	38.6	Very low	21 Å²	21	90.4 Å²	90.4	11%	0.11	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	2.6	175.8	-57.2	164.9	0	0	0	113.2	L29 M30 H31 V76 R79 G80	L29-L33 HydrophobicContact CB-CD1 4Å; L29-L33 HydrophobicContact CD2-CD1 3.62Å; L29-L33 HydrophobicContact CG-CD1 3.65Å; L29-L33 WeakPolarHBondContact O-CA 3.36Å; L29-L33 WeakPolarHBondContact O-CB 3.3Å; L29-L33 VanDerWaalsContact O-CD1 3.28Å; L29-L33 WeakPolarHBondContact O-CD1 3.14Å; L29-L33 WeakPolarHBondContact O-CG 3.45Å; L29-L33 PolarHBondContact O-N 2.77Å; M30-L33 CarbonylContact O-C 3.57Å; H31-L33 VanDerWaalsContact C-N 3.26Å; H31-L33 PolarHBondContact O-N 2.81Å; L33-V76 HydrophobicContact CB-CB 4.27Å; L33-V76 HydrophobicContact CB-CG1 3.23Å; L33-V76 HydrophobicContact CD1-CG1 3.75Å; L33-V76 WeakPolarHBondContact CD1-O 3.38Å; L33-V76 HydrophobicContact CG-CG1 4.03Å; L33-R79 HydrophobicContact CD2-CB 4.31Å; L33-G80 VanDerWaalsContact CD2-CA 3.4Å; L33-G80 VanDerWaalsContact CD2-N 3.32Å
34	G	37.3	Very low	38	Very low	56 Å²	56	93.8 Å²	93.8	58%	0.577	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	19.2	167.8	0	0	0	0	0	117.7	M30 H31	M30-G34 CarbonylContact O-C 3.55Å; M30-G34 PolarHBondContact O-N 3.48Å; H31-G34 PolarHBondContact O-N 3.14Å
35	L	41	Very low	38.3	Very low	63 Å²	63	100.2 Å²	100.2	33%	0.33	56%	0.562	S	S	.	*			trans	-81.3	-14.1	176.9	-75.3	170.7	0	0	0	114.7	M30 E73 V76	M30-L35 HydrophobicContact CB-CB 4.05Å; M30-L35 HydrophobicContact CB-CD1 4.28Å; M30-L35 HydrophobicContact CG-CB 4.37Å; M30-L35 HydrophobicContact CG-CD1 3.8Å; M30-L35 PolarHBondContact O-N 2.8Å; L35-E73 HydrophobicContact CD2-CG 4.43Å; L35-V76 HydrophobicContact CD1-CB 3.94Å; L35-V76 HydrophobicContact CD1-CG1 3.25Å; L35-V76 HydrophobicContact CD1-CG2 4.27Å; L35-V76 HydrophobicContact CD2-CB 4.44Å; L35-V76 HydrophobicContact CD2-CG1 4.48Å; L35-V76 HydrophobicContact CD2-CG2 3.97Å; L35-V76 HydrophobicContact CG-CB 4.11Å; L35-V76 HydrophobicContact CG-CG1 3.65Å; L35-V76 HydrophobicContact CG-CG2 3.86Å
36	I	37.6	Very low	37.8	Very low	78 Å²	78	105.2 Å²	105.2	40%	0.4	59%	0.586	S	S	.	*			trans	-113.2	69.9	176.8	-48.1	174.3	0	0	0	108.8	L27 M30	L27-I36 HydrophobicContact CB-CD1 4.33Å; L27-I36 HydrophobicContact CD2-CD1 3.41Å; L27-I36 VanDerWaalsContact CD2-CD1 3.41Å; L27-I36 HydrophobicContact CG-CD1 4.46Å; M30-I36 HydrophobicContact CB-CD1 4.39Å; M30-I36 HydrophobicContact CB-CG1 4.4Å
37	D	37.5	Very low	37.7	Very low	129 Å²	129	111.7 Å²	111.7	69%	0.69	62%	0.618	S	S	*	*			trans	-131.4	78.1	152.9	-134.8	-32.1	0	0	0	107.8	S39	D37-S39 PolarHBondContact O-N 3.22Å
38	I	38.7	Very low	37.6	Very low	166 Å²	166	117.1 Å²	117.1	85%	0.851	64%	0.64	S	S	*	*			trans	-80.1	61.8	162.9	-55	176.3	0	0	0	107
39	S	31.5	Very low	37.4	Very low	82 Å²	82	117.4 Å²	117.4	57%	0.573	64%	0.643	S	S	*	*	S	Bend	trans	-179	99.2	150.5	50.1	0	0	0	0	111.6	D37	D37-S39 PolarHBondContact O-N 3.22Å
40	V	36.5	Very low	37.1	Very low	140 Å²	140	121.7 Å²	121.7	85%	0.848	67%	0.665	S	S	*	*			trans	69.9	100.3	145.3	-167.3	0	0	0	0	116.6
41	A	29.6	Very low	36.9	Very low	94 Å²	94	122.8 Å²	122.8	78%	0.777	68%	0.68	S	S	*	*				-174.8	129.7	104.5	0	0	0	0	0	110.8
42	D	39.5	Very low	36.5	Very low	157 Å²	157	122.8 Å²	122.8	84%	0.84	69%	0.689	S	S	*	*			trans	-52.5	165.6	166.8	-77.1	-54.2	0	0	0	113.5
43	S	34.4	Very low	36.4	Very low	113 Å²	113	123 Å²	123	79%	0.79	70%	0.702	S	S	*	*			trans	83.1	132.6	165.6	84.2	0	0	0	0	114.1
44	V	30.4	Very low	36.3	Very low	125 Å²	125	124.9 Å²	124.9	76%	0.758	72%	0.716	S	S	*	*			cis	-150.2	153	26.1	-174.1	0	0	0	0	107.6	D46	V44-D46 PolarHBondContact O-N 2.68Å
45	E	43.6	Very low	36.4	Very low	182 Å²	182	128.8 Å²	128.8	85%	0.85	72%	0.719	S	S	*	*			trans	-37.4	127.9	158.2	-60.1	167.6	155.6	0	0	111.5
46	D	31.6	Very low	36.5	Very low	143 Å²	143	135.6 Å²	135.6	77%	0.765	74%	0.741	S	S	*	*			trans	-137.2	91.1	155.9	-141.4	17	0	0	0	108.1	V44 F48	V44-D46 PolarHBondContact O-N 2.68Å; D46-F48 PolarHBondContact O-N 3.46Å
47	D	41.8	Very low	37.2	Very low	166 Å²	166	133.4 Å²	133.4	89%	0.888	73%	0.731	S	S	*	*			trans	-61.4	101.5	160.9	-146.8	10.8	0	0	0	105.8
48	F	34.8	Very low	37.9	Very low	181 Å²	181	130.3 Å²	130.3	79%	0.794	71%	0.713	S	S	*	*			trans	-122.2	116.8	173.8	-148	-95.7	0	0	0	111.2	D46 L50	D46-F48 PolarHBondContact O-N 3.46Å; F48-L50 PolarHBondContact O-N 3.23Å
49	E	36.6	Very low	39.1	Very low	162 Å²	162	125.3 Å²	125.3	76%	0.757	69%	0.693	S	S	*	*			trans	-51.1	124.7	-170.8	-66.7	178.1	138.5	0	0	112.7	S51	E49-S51 PolarHBondContact O-N 2.74Å
50	L	37.1	Very low	40.7	Very low	154 Å²	154	124 Å²	124	81%	0.806	68%	0.678	S	S	*	*			trans	-70.7	78	169.6	-170.4	78.3	0	0	0	109.5	F48	F48-L50 PolarHBondContact O-N 3.23Å
51	S	35.6	Very low	42.2	Very low	87 Å²	87	121 Å²	121	61%	0.608	66%	0.657	S	S	*	*			trans	-137.1	84.9	173.6	61.2	0	0	0	0	111.4	E49	E49-S51 PolarHBondContact O-N 2.74Å
52	T	30.3	Very low	44.3	Very low	131 Å²	131	120.6 Å²	120.6	80%	0.804	64%	0.638	S	S	*	*	S	Bend	trans	-158	132	141.9	32.9	0	0	0	0	109.4	C54	T52-C54 PolarHBondContact O-N 3.45Å
53	V	40.3	Very low	45.9	Very low	152 Å²	152	113.2 Å²	113.2	92%	0.921	60%	0.598	S	S	*	*			trans	-63.4	96.7	-177	178.5	0	0	0	0	110
54	C	36.5	Very low	48	Very low	61 Å²	61	111.6 Å²	111.6	41%	0.412	58%	0.578	S	S	.	*	S	Bend	trans	-153.2	142.8	162.7	-93.6	0	0	0	0	106.5	T52 R56	T52-C54 PolarHBondContact O-N 3.45Å; C54-R56 PolarHBondContact O-N 3.28Å
55	H	40.4	Very low	50.3	Low	138 Å²	138	113.6 Å²	113.6	64%	0.639	58%	0.579	S	S	*	*			trans	-22.1	111.5	-171.3	-156.9	65.5	0	0	0	113.8	P57	H55-P57 WeakPolarHBondContact O-CD 3.47Å
56	R	43.2	Very low	51.7	Low	207 Å²	207	110 Å²	110	78%	0.781	56%	0.562	S	S	*	*			trans	-69.8	111	177.7	-165.8	179	-167.1	169.1	3.5	105.6	C54	C54-R56 PolarHBondContact O-N 3.28Å
57	P	51.2	Low	53.9	Low	31 Å²	31	103.6 Å²	103.6	20%	0.201	53%	0.529	C	S	.	.			trans	-55.8	151	174	25.1	-32.6	0	0	0	108.3	H55 S59 Y78	H55-P57 WeakPolarHBondContact O-CD 3.47Å; P57-S59 PolarHBondContact O-N 3.03Å; P57-Y78 HydrophobicContact CG-CE2 3.88Å
58	E	53.4	Low	55.4	Low	65 Å²	65	101.1 Å²	101.1	30%	0.304	51%	0.51	S	S	.	.	S	Bend	trans	-41.1	139.2	162.8	-77.3	-142.7	127.4	0	0	109.1	M60 K62 E130	E58-M60 PolarHBondContact O-N 3.46Å; E58-K62 HydrophobicContact CB-CD 4.21Å; E58-K62 HydrophobicContact CG-CD 4.44Å; E58-K62 IonicContact OE1-NZ 3.43Å; E58-K62 PolarHBondContact OE1-NZ 2.75Å; E58-K62 WeakPolarHBondContact OE2-CD 2.97Å; E58-K62 IonicContact OE2-NZ 3.31Å; E58-E130 WeakPolarHBondContact CB-OE1 3.35Å; E58-E130 WeakPolarHBondContact CG-OE1 3.49Å; E58-E130 PolarHBondContact N-OE1 3.05Å
59	S	62.3	Low	57.2	Low	61 Å²	61	93.1 Å²	93.1	43%	0.427	48%	0.475	S	S	.	.			trans	-47.7	130.9	-175.1	49.2	0	0	0	0	109.4	P57 D61 K62	P57-S59 PolarHBondContact O-N 3.03Å; S59-D61 PolarHBondContact O-N 2.88Å; S59-K62 WeakPolarHBondContact O-CB 3.22Å; S59-K62 PolarHBondContact O-N 3.43Å; S59-K62 WeakPolarHBondContact OG-CG 3.23Å
60	M	66.2	Low	59	Low	53 Å²	53	88.6 Å²	88.6	26%	0.261	46%	0.459	S	S	.	.	H	α-helix	trans	-49.5	-26.8	-175.3	-57.5	-169.5	69.6	0	0	113.5	E58 L63 E64 L74 Q75	E58-M60 PolarHBondContact O-N 3.46Å; M60-L63 PolarHBondContact O-N 3.5Å; M60-E64 WeakPolarHBondContact O-CB 3.25Å; M60-E64 PolarHBondContact O-N 3.03Å; M60-L74 HydrophobicContact CE-CB 3.98Å; M60-Q75 HydrophobicContact CE-CB 4.13Å; M60-Q75 HydrophobicContact CE-CG 3.26Å; M60-Q75 HydrophobicContact SD-CG 3.95Å
61	D	67.3	Low	60.8	Low	78 Å²	78	85 Å²	85	42%	0.417	44%	0.437	S	S	.	.	H	α-helix	trans	-64.9	-36	175.6	-50.8	-43.7	0	0	0	112.7	S59 E64 E65 K71	S59-D61 PolarHBondContact O-N 2.88Å; D61-E64 PolarHBondContact O-N 3.28Å; D61-E65 WeakPolarHBondContact O-CG 3.05Å; D61-E65 PolarHBondContact O-N 2.95Å; D61-K71 IonicContact OD1-NZ 3.63Å; D61-K71 PolarHBondContact OD1-NZ 3.4Å
62	K	74.2	Confident	62.6	Low	86 Å²	86	88.4 Å²	88.4	37%	0.374	44%	0.44	S	S	.	.	H	α-helix	trans	-69.2	-42.2	173.1	-72.6	-176.6	179.7	-166.4	0	111.9	E58 S59 E64 E65 Q66	E58-K62 HydrophobicContact CB-CD 4.21Å; E58-K62 HydrophobicContact CG-CD 4.44Å; E58-K62 IonicContact OE1-NZ 3.43Å; E58-K62 PolarHBondContact OE1-NZ 2.75Å; E58-K62 WeakPolarHBondContact OE2-CD 2.97Å; E58-K62 IonicContact OE2-NZ 3.31Å; S59-K62 WeakPolarHBondContact O-CB 3.22Å; S59-K62 PolarHBondContact O-N 3.43Å; S59-K62 WeakPolarHBondContact OG-CG 3.23Å; K62-E64 VanDerWaalsContact C-N 3.26Å; K62-E64 PolarHBondContact O-N 2.95Å; K62-E65 PolarHBondContact O-N 3.45Å; K62-E65 VanDerWaalsContact O-N 3.15Å; K62-Q66 WeakPolarHBondContact O-CB 3.24Å; K62-Q66 VanDerWaalsContact O-CG 3.22Å; K62-Q66 WeakPolarHBondContact O-CG 3.28Å; K62-Q66 PolarHBondContact O-N 3.18Å
63	L	73.2	Confident	64.3	Low	2 Å²	2	84.2 Å²	84.2	1%	0.01	41%	0.411	C	S	.	.	H	α-helix	trans	-64.9	-34.4	176.2	-70.5	174.5	0	0	0	111.1	M60 T67 L74 F129 E130 F134	M60-L63 PolarHBondContact O-N 3.5Å; L63-T67 WeakPolarHBondContact O-CB 3.4Å; L63-T67 WeakPolarHBondContact O-CG2 3.46Å; L63-T67 PolarHBondContact O-N 2.85Å; L63-T67 PolarHBondContact O-OG1 3.3Å; L63-L74 HydrophobicContact CB-CD1 3.88Å; L63-F129 HydrophobicContact CD1-CD1 4.08Å; L63-F129 HydrophobicContact CD1-CE1 3.93Å; L63-E130 HydrophobicContact CD1-CG 4.4Å; L63-E130 HydrophobicContact CD2-CB 4.18Å; L63-E130 HydrophobicContact CD2-CG 4.06Å; L63-F134 HydrophobicContact CD2-CE2 3.96Å; L63-F134 HydrophobicContact CD2-CZ 4.08Å
64	E	77.7	Confident	65.7	Low	78 Å²	78	77 Å²	77	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-66.9	-35.4	172.3	-177.9	165.6	-137.6	0	0	112.5	M60 D61 K62 K71 L74	M60-E64 WeakPolarHBondContact O-CB 3.25Å; M60-E64 PolarHBondContact O-N 3.03Å; D61-E64 PolarHBondContact O-N 3.28Å; K62-E64 VanDerWaalsContact C-N 3.26Å; K62-E64 PolarHBondContact O-N 2.95Å; E64-K71 PolarHBondContact OE1-N 3.04Å; E64-L74 HydrophobicContact CB-CD1 4.03Å
65	E	78.3	Confident	67.2	Low	168 Å²	168	78.8 Å²	78.8	79%	0.785	37%	0.37	S	S	*	.	H	α-helix	trans	-74.2	-34.5	175.4	-75.2	178.5	-179.3	0	0	113.4	D61 K62	D61-E65 WeakPolarHBondContact O-CG 3.05Å; D61-E65 PolarHBondContact O-N 2.95Å; K62-E65 PolarHBondContact O-N 3.45Å; K62-E65 VanDerWaalsContact O-N 3.15Å
66	Q	74.6	Confident	68.3	Low	105 Å²	105	73.3 Å²	73.3	49%	0.491	35%	0.346	S	S	.	.	H	α-helix	trans	-93.7	-15.8	-173.5	-64	171.1	-20.5	0	0	112.9	K62 F134	K62-Q66 WeakPolarHBondContact O-CB 3.24Å; K62-Q66 VanDerWaalsContact O-CG 3.22Å; K62-Q66 WeakPolarHBondContact O-CG 3.28Å; K62-Q66 PolarHBondContact O-N 3.18Å; Q66-F134 HydrophobicContact CB-CE1 3.56Å; Q66-F134 HydrophobicContact CB-CZ 3.66Å; Q66-F134 HydrophobicContact CG-CZ 4.5Å; Q66-F134 VanDerWaalsContact OE1-CZ 3.3Å
67	T	76.6	Confident	69.4	Low	10 Å²	10	64.4 Å²	64.4	6%	0.061	31%	0.314	C	S	.	.	S	Bend	trans	-117.9	163.4	179.1	77.7	0	0	0	0	109.8	L63 F69 V133 F134	L63-T67 WeakPolarHBondContact O-CB 3.4Å; L63-T67 WeakPolarHBondContact O-CG2 3.46Å; L63-T67 PolarHBondContact O-N 2.85Å; L63-T67 PolarHBondContact O-OG1 3.3Å; T67-F69 PolarHBondContact O-N 3.16Å; T67-F69 PolarHBondContact OG1-N 2.98Å; T67-V133 HydrophobicContact CG2-CG1 3.67Å; T67-F134 HydrophobicContact CG2-CD1 3.8Å; T67-F134 HydrophobicContact CG2-CE1 3.63Å; T67-F134 HydrophobicContact CG2-CZ 4.25Å
68	K	73.1	Confident	70.2	Confident	113 Å²	113	65.7 Å²	65.7	49%	0.491	32%	0.316	S	S	.	.	S	Bend	trans	-87.9	19.3	176.2	-64.1	-179.3	-174.1	176.2	0	112.4	S137 R141	K68-S137 PolarHBondContact N-OG 3.02Å; K68-R141 HydrophobicContact CB-CB 3.81Å; K68-R141 HydrophobicContact CB-CG 4.4Å; K68-R141 HydrophobicContact CD-CB 3.82Å; K68-R141 VanDerWaalsContact CD-O 3.25Å; K68-R141 WeakPolarHBondContact CD-O 3.31Å; K68-R141 HydrophobicContact CG-CB 4.44Å; K68-R141 PolarHBondContact NZ-O 3.21Å; K68-R141 VanDerWaalsContact O-CD 3.28Å; K68-R141 WeakPolarHBondContact O-CD 3.18Å; K68-R141 PolarHBondContact O-NH1 3.04Å
69	F	72.5	Confident	70.7	Confident	13 Å²	13	71 Å²	71	6%	0.057	33%	0.333	C	S	.	.			trans	-99.7	145.8	-179.4	-68.7	-70.8	0	0	0	112.3	T67 E73 L74 L77 V133 L136 L140 R141	T67-F69 PolarHBondContact O-N 3.16Å; T67-F69 PolarHBondContact OG1-N 2.98Å; F69-E73 HydrophobicContact CB-CB 4.33Å; F69-E73 HydrophobicContact CD1-CB 4.18Å; F69-L74 HydrophobicContact CB-CD2 3.77Å; F69-L74 HydrophobicContact CB-CG 3.88Å; F69-L74 HydrophobicContact CD2-CD2 4.4Å; F69-L74 HydrophobicContact CG-CD2 4.4Å; F69-L77 HydrophobicContact CE2-CD1 4.5Å; F69-V133 HydrophobicContact CD2-CG1 3.85Å; F69-V133 HydrophobicContact CE2-CG1 4.26Å; F69-L136 HydrophobicContact CE2-CB 4.15Å; F69-L136 HydrophobicContact CZ-CB 4.21Å; F69-L140 HydrophobicContact CZ-CD1 4.09Å; F69-R141 VanDerWaalsContact CD1-CZ 3.42Å
70	T	75.8	Confident	70.7	Confident	68 Å²	68	68.4 Å²	68.4	42%	0.417	32%	0.316	S	S	.	.			trans	-76.9	155.8	172.3	64.6	0	0	0	0	110.9	K72 E73 L74	T70-K72 PolarHBondContact O-N 2.82Å; T70-K72 VanDerWaalsContact O-N 3.1Å; T70-E73 PolarHBondContact N-OE2 2.84Å; T70-E73 WeakPolarHBondContact O-CB 3.32Å; T70-E73 PolarHBondContact O-N 2.74Å; T70-E73 VanDerWaalsContact OG1-CG 3.27Å; T70-E73 WeakPolarHBondContact OG1-CG 3.03Å; T70-E73 PolarHBondContact OG1-N 3.4Å; T70-E73 PolarHBondContact OG1-OE2 3.1Å; T70-L74 WeakPolarHBondContact O-CG 3.27Å; T70-L74 PolarHBondContact O-N 3.08Å
71	K	75	Confident	70.6	Confident	79 Å²	79	66.6 Å²	66.6	34%	0.343	31%	0.306	S	S	.	.	H	α-helix	trans	-50.1	-37.8	175	-165.2	163.7	-176.3	161.8	0	114.3	D61 E64 L74 Q75	D61-K71 IonicContact OD1-NZ 3.63Å; D61-K71 PolarHBondContact OD1-NZ 3.4Å; E64-K71 PolarHBondContact OE1-N 3.04Å; K71-L74 PolarHBondContact O-N 3.29Å; K71-Q75 VanDerWaalsContact O-CG 3.3Å; K71-Q75 WeakPolarHBondContact O-CG 3.09Å; K71-Q75 PolarHBondContact O-N 2.89Å
72	K	72	Confident	70.5	Confident	158 Å²	158	65.2 Å²	65.2	69%	0.687	30%	0.296	S	S	*	.	H	α-helix	trans	-67.1	-42.4	177.6	-70.1	-172.9	178	-175.5	0	112.3	T70 L74 Q75 V76	T70-K72 PolarHBondContact O-N 2.82Å; T70-K72 VanDerWaalsContact O-N 3.1Å; K72-L74 VanDerWaalsContact C-N 3.34Å; K72-Q75 PolarHBondContact O-N 3Å; K72-V76 WeakPolarHBondContact O-CG2 2.77Å; K72-V76 PolarHBondContact O-N 3.25Å; K72-V76 VanDerWaalsContact O-N 3.13Å
73	E	66.6	Low	69.9	Low	42 Å²	42	65.8 Å²	65.8	20%	0.196	30%	0.304	C	S	.	.	H	α-helix	trans	-65.5	-40.4	176.3	-68.1	168.1	141.3	0	0	110.9	L35 F69 T70 V76 L77 R141	L35-E73 HydrophobicContact CD2-CG 4.43Å; F69-E73 HydrophobicContact CB-CB 4.33Å; F69-E73 HydrophobicContact CD1-CB 4.18Å; T70-E73 PolarHBondContact N-OE2 2.84Å; T70-E73 WeakPolarHBondContact O-CB 3.32Å; T70-E73 PolarHBondContact O-N 2.74Å; T70-E73 VanDerWaalsContact OG1-CG 3.27Å; T70-E73 WeakPolarHBondContact OG1-CG 3.03Å; T70-E73 PolarHBondContact OG1-N 3.4Å; T70-E73 PolarHBondContact OG1-OE2 3.1Å; E73-V76 WeakPolarHBondContact O-CB 3.18Å; E73-V76 PolarHBondContact O-N 2.68Å; E73-L77 WeakPolarHBondContact O-CG 3.34Å; E73-L77 PolarHBondContact O-N 3.46Å; E73-R141 VanDerWaalsContact CD-NH2 3.29Å; E73-R141 IonicContact OE1-CZ 2.5Å; E73-R141 IonicContact OE1-NH1 3.59Å; E73-R141 IonicContact OE1-NH2 2.84Å; E73-R141 PolarHBondContact OE1-NH2 3.15Å; E73-R141 IonicContact OE2-CZ 3.77Å; E73-R141 IonicContact OE2-NH1 3.54Å; E73-R141 PolarHBondContact OE2-NH1 3.44Å; E73-R141 IonicContact OE2-NH2 3.51Å; E73-R141 PolarHBondContact OE2-NH2 3.16Å
74	L	69.3	Low	69.1	Low	0 Å²	0	71.4 Å²	71.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.8	-41.4	175.2	-67.1	174.4	0	0	0	112.4	M60 L63 E64 F69 T70 K71 K72 V76 L77 Y78 V133	M60-L74 HydrophobicContact CE-CB 3.98Å; L63-L74 HydrophobicContact CB-CD1 3.88Å; E64-L74 HydrophobicContact CB-CD1 4.03Å; F69-L74 HydrophobicContact CB-CD2 3.77Å; F69-L74 HydrophobicContact CB-CG 3.88Å; F69-L74 HydrophobicContact CD2-CD2 4.4Å; F69-L74 HydrophobicContact CG-CD2 4.4Å; T70-L74 WeakPolarHBondContact O-CG 3.27Å; T70-L74 PolarHBondContact O-N 3.08Å; K71-L74 PolarHBondContact O-N 3.29Å; K72-L74 VanDerWaalsContact C-N 3.34Å; L74-V76 VanDerWaalsContact C-N 3.32Å; L74-V76 PolarHBondContact O-N 3.03Å; L74-L77 PolarHBondContact O-N 3.48Å; L74-Y78 VanDerWaalsContact O-CB 3.29Å; L74-Y78 WeakPolarHBondContact O-CB 3.13Å; L74-Y78 PolarHBondContact O-N 3.04Å; L74-V133 HydrophobicContact CD2-CB 4.46Å; L74-V133 HydrophobicContact CD2-CG1 3.36Å; L74-V133 HydrophobicContact CD2-CG2 4.24Å
75	Q	67.6	Low	68.3	Low	99 Å²	99	67.8 Å²	67.8	46%	0.463	31%	0.313	S	S	.	.	H	α-helix	trans	-60.7	-42.9	175.2	-76.4	175.3	-22	0	0	112.1	M60 K71 K72 Y78 R79	M60-Q75 HydrophobicContact CE-CB 4.13Å; M60-Q75 HydrophobicContact CE-CG 3.26Å; M60-Q75 HydrophobicContact SD-CG 3.95Å; K71-Q75 VanDerWaalsContact O-CG 3.3Å; K71-Q75 WeakPolarHBondContact O-CG 3.09Å; K71-Q75 PolarHBondContact O-N 2.89Å; K72-Q75 PolarHBondContact O-N 3Å; Q75-Y78 PolarHBondContact O-N 3.44Å; Q75-R79 WeakPolarHBondContact O-CB 3.47Å; Q75-R79 PolarHBondContact O-N 2.65Å
76	V	65.3	Low	67.6	Low	23 Å²	23	64.3 Å²	64.3	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-53.5	176.7	155.6	0	0	0	0	110.5	L33 L35 K72 E73 L74 Y78 R79 G80	L33-V76 HydrophobicContact CB-CB 4.27Å; L33-V76 HydrophobicContact CB-CG1 3.23Å; L33-V76 HydrophobicContact CD1-CG1 3.75Å; L33-V76 WeakPolarHBondContact CD1-O 3.38Å; L33-V76 HydrophobicContact CG-CG1 4.03Å; L35-V76 HydrophobicContact CD1-CB 3.94Å; L35-V76 HydrophobicContact CD1-CG1 3.25Å; L35-V76 HydrophobicContact CD1-CG2 4.27Å; L35-V76 HydrophobicContact CD2-CB 4.44Å; L35-V76 HydrophobicContact CD2-CG1 4.48Å; L35-V76 HydrophobicContact CD2-CG2 3.97Å; L35-V76 HydrophobicContact CG-CB 4.11Å; L35-V76 HydrophobicContact CG-CG1 3.65Å; L35-V76 HydrophobicContact CG-CG2 3.86Å; K72-V76 WeakPolarHBondContact O-CG2 2.77Å; K72-V76 PolarHBondContact O-N 3.25Å; K72-V76 VanDerWaalsContact O-N 3.13Å; E73-V76 WeakPolarHBondContact O-CB 3.18Å; E73-V76 PolarHBondContact O-N 2.68Å; L74-V76 VanDerWaalsContact C-N 3.32Å; L74-V76 PolarHBondContact O-N 3.03Å; V76-Y78 VanDerWaalsContact C-N 3.27Å; V76-Y78 PolarHBondContact O-N 2.79Å; V76-R79 WeakPolarHBondContact O-CB 3.29Å; V76-R79 PolarHBondContact O-N 3.29Å; V76-R79 VanDerWaalsContact O-N 3.13Å; V76-G80 PolarHBondContact O-N 2.64Å
77	L	65.7	Low	67.1	Low	21 Å²	21	62.2 Å²	62.2	11%	0.11	30%	0.302	C	S	.	.	H	α-helix	trans	-56.5	-42.9	178	-71.7	171.3	0	0	0	111.4	F69 E73 L74 R79 G80 F81 F129 V133 L136	F69-L77 HydrophobicContact CE2-CD1 4.5Å; E73-L77 WeakPolarHBondContact O-CG 3.34Å; E73-L77 PolarHBondContact O-N 3.46Å; L74-L77 PolarHBondContact O-N 3.48Å; L77-R79 VanDerWaalsContact C-N 3.34Å; L77-R79 PolarHBondContact O-N 2.92Å; L77-G80 PolarHBondContact O-N 2.71Å; L77-F81 WeakPolarHBondContact O-CB 3.38Å; L77-F81 PolarHBondContact O-N 2.95Å; L77-F129 HydrophobicContact CB-CE2 3.94Å; L77-F129 HydrophobicContact CB-CZ 4.07Å; L77-V133 HydrophobicContact CD1-CG2 4.39Å; L77-L136 HydrophobicContact CD2-CD1 4.18Å
78	Y	67.5	Low	66.5	Low	58 Å²	58	62.2 Å²	62.2	23%	0.227	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-41.3	178.6	-173	-108.7	0	0	0	112.3	P57 L74 Q75 V76 F81 K82 F129	P57-Y78 HydrophobicContact CG-CE2 3.88Å; L74-Y78 VanDerWaalsContact O-CB 3.29Å; L74-Y78 WeakPolarHBondContact O-CB 3.13Å; L74-Y78 PolarHBondContact O-N 3.04Å; Q75-Y78 PolarHBondContact O-N 3.44Å; V76-Y78 VanDerWaalsContact C-N 3.27Å; V76-Y78 PolarHBondContact O-N 2.79Å; Y78-F81 PolarHBondContact O-N 3.49Å; Y78-K82 HydrophobicContact CD1-CG 4.42Å; Y78-K82 HydrophobicContact CE1-CG 3.92Å; Y78-K82 HydrophobicContact CE2-CG 4.4Å; Y78-K82 WeakPolarHBondContact O-CB 3.29Å; Y78-K82 PolarHBondContact O-N 3.47Å; Y78-K82 WeakPolarHBondContact OH-CE 3.22Å; Y78-F129 HydrophobicContact CD2-CB 4.33Å; Y78-F129 AromaticContact CD2-CD1 3.58Å; Y78-F129 HydrophobicContact CD2-CD1 3.58Å; Y78-F129 AromaticContact CD2-CD2 3.91Å; Y78-F129 HydrophobicContact CD2-CD2 3.91Å; Y78-F129 AromaticContact CD2-CE1 3.74Å; Y78-F129 HydrophobicContact CD2-CE1 3.74Å; Y78-F129 HydrophobicContact CD2-CE2 4.09Å; Y78-F129 AromaticContact CD2-CG 3.65Å; Y78-F129 HydrophobicContact CD2-CG 3.65Å; Y78-F129 AromaticContact CD2-CZ 3.99Å; Y78-F129 HydrophobicContact CD2-CZ 3.99Å; Y78-F129 HydrophobicContact CE2-CB 4.47Å; Y78-F129 HydrophobicContact CE2-CD1 4.25Å; Y78-F129 HydrophobicContact CE2-CG 4.24Å; Y78-F129 HydrophobicContact CG-CE1 4.29Å; Y78-F129 HydrophobicContact CG-CZ 4.27Å; Y78-F129 VanDerWaalsContact N-CE2 3.31Å
79	R	64.2	Low	66.3	Low	177 Å²	177	59 Å²	59	67%	0.668	29%	0.294	S	S	*	.	H	α-helix	trans	-63.8	-42.5	177.1	-166.6	-179.7	-135.6	-171.4	6	111.6	L33 Q75 V76 L77 K82 N83	L33-R79 HydrophobicContact CD2-CB 4.31Å; Q75-R79 WeakPolarHBondContact O-CB 3.47Å; Q75-R79 PolarHBondContact O-N 2.65Å; V76-R79 WeakPolarHBondContact O-CB 3.29Å; V76-R79 PolarHBondContact O-N 3.29Å; V76-R79 VanDerWaalsContact O-N 3.13Å; L77-R79 VanDerWaalsContact C-N 3.34Å; L77-R79 PolarHBondContact O-N 2.92Å; R79-K82 PolarHBondContact O-N 3.46Å; R79-N83 WeakPolarHBondContact O-CB 3.32Å; R79-N83 VanDerWaalsContact O-CG 3.25Å; R79-N83 PolarHBondContact O-N 3.23Å; R79-N83 PolarHBondContact O-ND2 3.3Å
80	G	62.1	Low	66.3	Low	6 Å²	6	58.9 Å²	58.9	6%	0.062	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-46.6	175.7	0	0	0	0	0	112	L33 V76 L77 K82 N83 E84	L33-G80 VanDerWaalsContact CD2-CA 3.4Å; L33-G80 VanDerWaalsContact CD2-N 3.32Å; V76-G80 PolarHBondContact O-N 2.64Å; L77-G80 PolarHBondContact O-N 2.71Å; G80-K82 PolarHBondContact O-N 2.99Å; G80-N83 PolarHBondContact O-N 3.4Å; G80-E84 PolarHBondContact O-N 3.42Å; G80-E84 VanDerWaalsContact O-N 3.14Å
81	F	64.4	Low	66.3	Low	14 Å²	14	58.6 Å²	58.6	6%	0.061	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-43.9	177.4	-170.1	-86.5	0	0	0	112.4	L77 Y78 C85 G88 V90 F129 F132	L77-F81 WeakPolarHBondContact O-CB 3.38Å; L77-F81 PolarHBondContact O-N 2.95Å; Y78-F81 PolarHBondContact O-N 3.49Å; F81-C85 WeakPolarHBondContact O-CA 3.43Å; F81-C85 WeakPolarHBondContact O-CB 3.2Å; F81-C85 PolarHBondContact O-N 2.99Å; F81-G88 WeakPolarHBondContact CE1-O 3.28Å; F81-V90 HydrophobicContact CD2-CG2 4.23Å; F81-V90 HydrophobicContact CE1-CG2 4.39Å; F81-V90 HydrophobicContact CE2-CG2 3.31Å; F81-V90 HydrophobicContact CZ-CG2 3.41Å; F81-V90 VanDerWaalsContact CZ-CG2 3.41Å; F81-F129 HydrophobicContact CB-CD2 3.85Å; F81-F129 HydrophobicContact CB-CE2 4.23Å; F81-F129 HydrophobicContact CD1-CB 4.18Å; F81-F129 HydrophobicContact CD1-CD2 4.17Å; F81-F129 HydrophobicContact CD2-CD2 4.1Å; F81-F129 HydrophobicContact CE1-CB 4.08Å; F81-F129 AromaticContact CG-CD2 3.79Å; F81-F129 HydrophobicContact CG-CD2 3.79Å; F81-F129 HydrophobicContact CZ-CB 4.32Å; F81-F132 HydrophobicContact CD2-CB 4.38Å; F81-F132 AromaticContact CD2-CD1 3.99Å; F81-F132 HydrophobicContact CD2-CD1 3.99Å; F81-F132 HydrophobicContact CD2-CE1 4.47Å; F81-F132 HydrophobicContact CD2-CG 4.14Å; F81-F132 HydrophobicContact CE2-CB 3.99Å; F81-F132 HydrophobicContact CE2-CD1 4.41Å; F81-F132 HydrophobicContact CE2-CG 4.11Å
82	K	65.1	Low	66.5	Low	50 Å²	50	57.7 Å²	57.7	22%	0.217	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-34.9	176.6	-94.2	-82.9	-177.1	176.7	0	113.7	Y78 R79 G80 C85 P86	Y78-K82 HydrophobicContact CD1-CG 4.42Å; Y78-K82 HydrophobicContact CE1-CG 3.92Å; Y78-K82 HydrophobicContact CE2-CG 4.4Å; Y78-K82 WeakPolarHBondContact O-CB 3.29Å; Y78-K82 PolarHBondContact O-N 3.47Å; Y78-K82 WeakPolarHBondContact OH-CE 3.22Å; R79-K82 PolarHBondContact O-N 3.46Å; G80-K82 PolarHBondContact O-N 2.99Å; K82-C85 CarbonylContact O-C 3.14Å; K82-P86 PolarHBondContact NZ-O 2.89Å; K82-P86 WeakPolarHBondContact O-CA 3.08Å
83	N	61.7	Low	66.9	Low	98 Å²	98	56.8 Å²	56.8	52%	0.524	29%	0.285	S	S	.	.	H	α-helix	trans	-68.1	-42.3	178.6	-78	-12.9	0	0	0	111.5	R79 G80	R79-N83 WeakPolarHBondContact O-CB 3.32Å; R79-N83 VanDerWaalsContact O-CG 3.25Å; R79-N83 PolarHBondContact O-N 3.23Å; R79-N83 PolarHBondContact O-ND2 3.3Å; G80-N83 PolarHBondContact O-N 3.4Å
84	E	56.1	Low	67.1	Low	119 Å²	119	57.4 Å²	57.4	56%	0.556	29%	0.29	S	S	*	.	H	α-helix	trans	-79.2	-33.2	178	-63.3	-57.8	139.8	0	0	112.1	G80	G80-E84 PolarHBondContact O-N 3.42Å; G80-E84 VanDerWaalsContact O-N 3.14Å
85	C	61.1	Low	67.3	Low	3 Å²	3	58.5 Å²	58.5	2%	0.02	30%	0.295	C	S	.	.			trans	-128	85.3	-178.8	-68	0	0	0	0	110.9	F81 K82 S87 G88	F81-C85 WeakPolarHBondContact O-CA 3.43Å; F81-C85 WeakPolarHBondContact O-CB 3.2Å; F81-C85 PolarHBondContact O-N 2.99Å; K82-C85 CarbonylContact O-C 3.14Å; C85-S87 PolarHBondContact O-N 3.46Å; C85-S87 VanDerWaalsContact O-N 3.11Å; C85-G88 PolarHBondContact O-N 2.91Å
86	P	63.6	Low	67.6	Low	95 Å²	95	56.4 Å²	56.4	62%	0.617	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.7	-179.2	-25.5	34.1	0	0	0	113.7	K82 G88	K82-P86 PolarHBondContact NZ-O 2.89Å; K82-P86 WeakPolarHBondContact O-CA 3.08Å; P86-G88 PolarHBondContact O-N 2.91Å
87	S	64.4	Low	67.9	Low	60 Å²	60	59.1 Å²	59.1	42%	0.42	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.7	175	49.6	0	0	0	0	113.9	C85 V89	C85-S87 PolarHBondContact O-N 3.46Å; C85-S87 VanDerWaalsContact O-N 3.11Å; S87-V89 VanDerWaalsContact C-N 3.29Å; S87-V89 PolarHBondContact OG-O 3.47Å
88	G	63.8	Low	68	Low	11 Å²	11	60.7 Å²	60.7	11%	0.113	31%	0.306	C	S	.	.	S	Bend	trans	77.5	11.4	-174.8	0	0	0	0	0	114.5	F81 C85 P86	F81-G88 WeakPolarHBondContact CE1-O 3.28Å; C85-G88 PolarHBondContact O-N 2.91Å; P86-G88 PolarHBondContact O-N 2.91Å
89	V	69.2	Low	67.8	Low	46 Å²	46	59.9 Å²	59.9	28%	0.279	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	145.9	171.6	-66.8	0	0	0	0	109.6	S87	S87-V89 VanDerWaalsContact C-N 3.29Å; S87-V89 PolarHBondContact OG-O 3.47Å
90	V	71.4	Confident	67.9	Low	10 Å²	10	53.7 Å²	53.7	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.1	171.7	-163.4	0	0	0	0	108.3	F81 N94 F95 F116 S126 V127	F81-V90 HydrophobicContact CD2-CG2 4.23Å; F81-V90 HydrophobicContact CE1-CG2 4.39Å; F81-V90 HydrophobicContact CE2-CG2 3.31Å; F81-V90 HydrophobicContact CZ-CG2 3.41Å; F81-V90 VanDerWaalsContact CZ-CG2 3.41Å; V90-N94 HydrophobicContact CG1-CB 4.3Å; V90-F95 HydrophobicContact CG1-CB 4Å; V90-F95 HydrophobicContact CG1-CD2 4.15Å; V90-F116 WeakPolarHBondContact O-CE2 3.12Å; V90-S126 CarbonylContact O-C 3.32Å; V90-S126 WeakPolarHBondContact O-CA 3.23Å; V90-V127 HydrophobicContact CB-CB 4.35Å; V90-V127 PolarHBondContact N-O 2.84Å; V90-V127 PolarHBondContact O-N 3.24Å
91	N	76.2	Confident	68	Low	61 Å²	61	60.4 Å²	60.4	33%	0.326	32%	0.316	S	S	.	.			trans	-91.1	163.9	169	65.6	19.2	0	0	0	110	E93 N94 F95	N91-E93 VanDerWaalsContact C-N 3.28Å; N91-E93 PolarHBondContact O-N 2.97Å; N91-N94 PolarHBondContact O-N 3.49Å; N91-N94 WeakPolarHBondContact OD1-CB 3.34Å; N91-N94 PolarHBondContact OD1-N 3.12Å; N91-N94 PolarHBondContact OD1-ND2 2.95Å; N91-N94 PolarHBondContact OD1-OD1 2.73Å; N91-F95 WeakPolarHBondContact O-CB 3.06Å; N91-F95 PolarHBondContact O-N 2.93Å
92	E	79.8	Confident	67.6	Low	61 Å²	61	64.2 Å²	64.2	29%	0.285	33%	0.333	S	S	.	.	H	α-helix	trans	-59.2	-38.5	-176	-166.7	-167.7	155.1	0	0	112.8	F95 K96 H113 F116	E92-F95 WeakPolarHBondContact O-CB 3.21Å; E92-F95 PolarHBondContact O-N 3.39Å; E92-K96 WeakPolarHBondContact O-CG 3.25Å; E92-K96 PolarHBondContact O-N 2.5Å; E92-K96 WeakPolarHBondContact OE1-CE 3.45Å; E92-K96 IonicContact OE1-NZ 2.63Å; E92-K96 PolarHBondContact OE1-NZ 3.43Å; E92-H113 VanDerWaalsContact CD-ND1 3.34Å; E92-H113 IonicContact OE1-CE1 2.69Å; E92-H113 IonicContact OE1-CG 2.68Å; E92-H113 IonicContact OE1-ND1 3.36Å; E92-H113 PolarHBondContact OE1-ND1 3.49Å; E92-H113 IonicContact OE2-ND1 3.56Å; E92-F116 HydrophobicContact CB-CD1 3.99Å; E92-F116 HydrophobicContact CB-CD2 4.38Å; E92-F116 HydrophobicContact CB-CE1 3.9Å; E92-F116 HydrophobicContact CB-CE2 4.28Å; E92-F116 HydrophobicContact CB-CG 4.23Å; E92-F116 HydrophobicContact CB-CZ 4.05Å; E92-F116 HydrophobicContact CG-CB 4.42Å; E92-F116 HydrophobicContact CG-CD1 3.89Å; E92-F116 HydrophobicContact CG-CE1 4.3Å; E92-F116 HydrophobicContact CG-CG 4.05Å
93	E	80.3	Confident	67.3	Low	138 Å²	138	64.5 Å²	64.5	65%	0.645	33%	0.334	S	S	*	.	H	α-helix	trans	-65.5	-45	180	-171	178.8	-179.2	0	0	111.9	N91 F95 K96 N97	N91-E93 VanDerWaalsContact C-N 3.28Å; N91-E93 PolarHBondContact O-N 2.97Å; E93-F95 VanDerWaalsContact C-N 3.3Å; E93-F95 PolarHBondContact O-N 2.81Å; E93-K96 PolarHBondContact O-N 2.88Å; E93-N97 WeakPolarHBondContact O-CB 3.22Å; E93-N97 PolarHBondContact O-N 2.87Å; E93-N97 PolarHBondContact O-ND2 2.97Å
94	N	71.3	Confident	67.4	Low	56 Å²	56	65 Å²	65	30%	0.299	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-40.3	174.4	-69.5	-4.6	0	0	0	110.6	V90 N91 N97 I98	V90-N94 HydrophobicContact CG1-CB 4.3Å; N91-N94 PolarHBondContact O-N 3.49Å; N91-N94 WeakPolarHBondContact OD1-CB 3.34Å; N91-N94 PolarHBondContact OD1-N 3.12Å; N91-N94 PolarHBondContact OD1-ND2 2.95Å; N91-N94 PolarHBondContact OD1-OD1 2.73Å; N94-N97 PolarHBondContact O-N 3.37Å; N94-I98 WeakPolarHBondContact O-CD1 3.4Å; N94-I98 VanDerWaalsContact O-CG1 3.24Å; N94-I98 WeakPolarHBondContact O-CG1 3.48Å; N94-I98 PolarHBondContact O-N 3.25Å
95	F	72.8	Confident	67.5	Low	22 Å²	22	66.4 Å²	66.4	10%	0.096	35%	0.349	C	S	.	.	H	α-helix	trans	-61	-46.4	176.9	-165.2	-92.7	0	0	0	111.6	V90 N91 E92 E93 N97 I98 Y99 A112 L115 F116 F119	V90-F95 HydrophobicContact CG1-CB 4Å; V90-F95 HydrophobicContact CG1-CD2 4.15Å; N91-F95 WeakPolarHBondContact O-CB 3.06Å; N91-F95 PolarHBondContact O-N 2.93Å; E92-F95 WeakPolarHBondContact O-CB 3.21Å; E92-F95 PolarHBondContact O-N 3.39Å; E93-F95 VanDerWaalsContact C-N 3.3Å; E93-F95 PolarHBondContact O-N 2.81Å; F95-N97 PolarHBondContact O-N 2.81Å; F95-I98 PolarHBondContact O-N 3.46Å; F95-Y99 HydrophobicContact CE1-CD2 4.04Å; F95-Y99 HydrophobicContact CE1-CE2 4.34Å; F95-Y99 HydrophobicContact CZ-CD2 4.36Å; F95-Y99 HydrophobicContact CZ-CE2 4.39Å; F95-Y99 PolarHBondContact O-N 2.97Å; F95-A112 HydrophobicContact CD1-CB 4.2Å; F95-A112 WeakPolarHBondContact CD1-O 3.31Å; F95-A112 HydrophobicContact CE1-CB 4.39Å; F95-A112 WeakPolarHBondContact CE1-O 3.48Å; F95-L115 HydrophobicContact CE1-CB 4.07Å; F95-L115 HydrophobicContact CE1-CD2 3.96Å; F95-L115 HydrophobicContact CE1-CG 4.08Å; F95-L115 HydrophobicContact CZ-CB 4.42Å; F95-L115 HydrophobicContact CZ-CD2 3.79Å; F95-L115 HydrophobicContact CZ-CG 3.94Å; F95-F116 HydrophobicContact CB-CD2 3.78Å; F95-F116 HydrophobicContact CB-CE2 4.45Å; F95-F116 HydrophobicContact CD1-CB 3.89Å; F95-F116 HydrophobicContact CD1-CD2 4.34Å; F95-F116 HydrophobicContact CD2-CD2 4.24Å; F95-F116 HydrophobicContact CE1-CB 4.25Å; F95-F116 HydrophobicContact CG-CB 4.28Å; F95-F116 AromaticContact CG-CD2 3.87Å; F95-F116 HydrophobicContact CG-CD2 3.87Å; F95-F119 HydrophobicContact CZ-CD2 4.38Å
96	K	75	Confident	67.7	Low	56 Å²	56	67.5 Å²	67.5	24%	0.243	36%	0.362	C	S	.	.	H	α-helix	trans	-60.9	-41.5	174.1	-74.2	177.1	-177.9	175.4	0	112.4	E92 E93 I98 Y99 S100 S109 A112	E92-K96 WeakPolarHBondContact O-CG 3.25Å; E92-K96 PolarHBondContact O-N 2.5Å; E92-K96 WeakPolarHBondContact OE1-CE 3.45Å; E92-K96 IonicContact OE1-NZ 2.63Å; E92-K96 PolarHBondContact OE1-NZ 3.43Å; E93-K96 PolarHBondContact O-N 2.88Å; K96-I98 VanDerWaalsContact C-N 3.35Å; K96-Y99 PolarHBondContact O-N 2.81Å; K96-S100 WeakPolarHBondContact O-CB 3.43Å; K96-S100 PolarHBondContact O-N 3.45Å; K96-S100 PolarHBondContact O-OG 3.12Å; K96-S109 VanDerWaalsContact CE-O 3.3Å; K96-S109 WeakPolarHBondContact CE-O 3.37Å; K96-A112 HydrophobicContact CG-CB 3.92Å
97	N	70.8	Confident	68.3	Low	79 Å²	79	67 Å²	67	42%	0.422	35%	0.354	S	S	.	.	H	α-helix	trans	-66.5	-35.1	178.1	-74.2	-28	0	0	0	113	E93 N94 F95 S100 Q101	E93-N97 WeakPolarHBondContact O-CB 3.22Å; E93-N97 PolarHBondContact O-N 2.87Å; E93-N97 PolarHBondContact O-ND2 2.97Å; N94-N97 PolarHBondContact O-N 3.37Å; F95-N97 PolarHBondContact O-N 2.81Å; N97-S100 PolarHBondContact O-OG 3.35Å; N97-Q101 WeakPolarHBondContact O-CG 3.46Å; N97-Q101 PolarHBondContact O-NE2 3.46Å
98	I	67.6	Low	68.6	Low	55 Å²	55	64.2 Å²	64.2	28%	0.282	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-47.2	172.7	-69.3	163.4	0	0	0	108.8	N94 F95 K96 S100 Q101 F102	N94-I98 WeakPolarHBondContact O-CD1 3.4Å; N94-I98 VanDerWaalsContact O-CG1 3.24Å; N94-I98 WeakPolarHBondContact O-CG1 3.48Å; N94-I98 PolarHBondContact O-N 3.25Å; F95-I98 PolarHBondContact O-N 3.46Å; K96-I98 VanDerWaalsContact C-N 3.35Å; I98-S100 PolarHBondContact O-N 2.84Å; I98-Q101 PolarHBondContact O-N 2.85Å; I98-F102 HydrophobicContact CG2-CE2 3.79Å; I98-F102 WeakPolarHBondContact O-CD2 3.37Å; I98-F102 VanDerWaalsContact O-CE2 3.23Å; I98-F102 WeakPolarHBondContact O-CE2 3.35Å
99	Y	63.1	Low	69.4	Low	41 Å²	41	66 Å²	66	16%	0.161	34%	0.344	C	S	.	.	H	α-helix	trans	-64.7	-41	-178.2	-124	-97.5	0	0	0	113.6	F95 K96 Q101 F102 F103 Y111 A112 L115 M178	F95-Y99 HydrophobicContact CE1-CD2 4.04Å; F95-Y99 HydrophobicContact CE1-CE2 4.34Å; F95-Y99 HydrophobicContact CZ-CD2 4.36Å; F95-Y99 HydrophobicContact CZ-CE2 4.39Å; F95-Y99 PolarHBondContact O-N 2.97Å; K96-Y99 PolarHBondContact O-N 2.81Å; Y99-Q101 VanDerWaalsContact C-N 3.26Å; Y99-Q101 PolarHBondContact O-N 3.12Å; Y99-F102 PolarHBondContact O-N 3.41Å; Y99-F102 VanDerWaalsContact O-N 3.1Å; Y99-F103 HydrophobicContact CD1-CD2 4.16Å; Y99-F103 HydrophobicContact CD1-CE2 4.12Å; Y99-F103 HydrophobicContact CE1-CD2 4.39Å; Y99-F103 AromaticContact CE1-CE2 3.91Å; Y99-F103 HydrophobicContact CE1-CE2 3.91Å; Y99-F103 PolarHBondContact O-N 3.01Å; Y99-Y111 AromaticContact CE1-CD1 3.93Å; Y99-Y111 HydrophobicContact CE1-CD1 3.93Å; Y99-Y111 HydrophobicContact CE1-CE1 4.23Å; Y99-A112 HydrophobicContact CD1-CB 4.28Å; Y99-A112 HydrophobicContact CG-CB 3.96Å; Y99-L115 HydrophobicContact CD2-CD2 4.41Å; Y99-L115 HydrophobicContact CE2-CD2 3.45Å; Y99-L115 VanDerWaalsContact CE2-CD2 3.45Å; Y99-L115 VanDerWaalsContact OH-CD2 3.31Å; Y99-L115 WeakPolarHBondContact OH-CD2 3.41Å; Y99-M178 HydrophobicContact CD1-SD 4.43Å; Y99-M178 HydrophobicContact CE1-SD 4.01Å
100	S	67.4	Low	69.9	Low	46 Å²	46	68 Å²	68	32%	0.322	35%	0.352	S	S	.	.	H	α-helix	trans	-66.3	-26	-178.6	65.6	0	0	0	0	113.4	K96 N97 I98 F102 F103 S108	K96-S100 WeakPolarHBondContact O-CB 3.43Å; K96-S100 PolarHBondContact O-N 3.45Å; K96-S100 PolarHBondContact O-OG 3.12Å; N97-S100 PolarHBondContact O-OG 3.35Å; I98-S100 PolarHBondContact O-N 2.84Å; S100-F102 VanDerWaalsContact C-N 3.25Å; S100-F102 PolarHBondContact O-N 3.47Å; S100-F103 CarbonylContact O-C 3.41Å; S100-F103 PolarHBondContact O-N 2.85Å; S100-S108 WeakPolarHBondContact CA-OG 3.13Å; S100-S108 PolarHBondContact N-OG 3.43Å
101	Q	62.3	Low	70.2	Confident	147 Å²	147	68 Å²	68	69%	0.687	35%	0.351	S	S	*	.	H	α-helix	trans	-66.3	-27.1	173.9	-71.9	172.9	52.4	0	0	112.9	N97 I98 Y99	N97-Q101 WeakPolarHBondContact O-CG 3.46Å; N97-Q101 PolarHBondContact O-NE2 3.46Å; I98-Q101 PolarHBondContact O-N 2.85Å; Y99-Q101 VanDerWaalsContact C-N 3.26Å; Y99-Q101 PolarHBondContact O-N 3.12Å
102	F	57.4	Low	70.3	Confident	94 Å²	94	65.1 Å²	65.1	41%	0.412	34%	0.335	S	S	.	.	H	α-helix	trans	-83.4	-24	177.1	-61.6	-72.6	0	0	0	112.7	I98 Y99 S100 P104	I98-F102 HydrophobicContact CG2-CE2 3.79Å; I98-F102 WeakPolarHBondContact O-CD2 3.37Å; I98-F102 VanDerWaalsContact O-CE2 3.23Å; I98-F102 WeakPolarHBondContact O-CE2 3.35Å; Y99-F102 PolarHBondContact O-N 3.41Å; Y99-F102 VanDerWaalsContact O-N 3.1Å; S100-F102 VanDerWaalsContact C-N 3.25Å; S100-F102 PolarHBondContact O-N 3.47Å; F102-P104 WeakPolarHBondContact O-CD 3.48Å
103	F	59.3	Low	70.5	Confident	56 Å²	56	64.1 Å²	64.1	25%	0.246	33%	0.331	C	S	.	.			trans	-124.2	60.4	-178.9	-60.6	-82.9	0	0	0	112	Y99 S100 Q105 G106 M178	Y99-F103 HydrophobicContact CD1-CD2 4.16Å; Y99-F103 HydrophobicContact CD1-CE2 4.12Å; Y99-F103 HydrophobicContact CE1-CD2 4.39Å; Y99-F103 AromaticContact CE1-CE2 3.91Å; Y99-F103 HydrophobicContact CE1-CE2 3.91Å; Y99-F103 PolarHBondContact O-N 3.01Å; S100-F103 CarbonylContact O-C 3.41Å; S100-F103 PolarHBondContact O-N 2.85Å; F103-Q105 PolarHBondContact O-N 2.9Å; F103-G106 PolarHBondContact O-N 3.06Å; F103-M178 HydrophobicContact CB-CG 4.31Å; F103-M178 HydrophobicContact CD1-CG 3.97Å; F103-M178 HydrophobicContact CD2-CG 4.07Å; F103-M178 HydrophobicContact CD2-SD 4.07Å; F103-M178 HydrophobicContact CE1-CG 4.3Å; F103-M178 HydrophobicContact CE1-SD 4.39Å; F103-M178 HydrophobicContact CE2-CG 4.4Å; F103-M178 HydrophobicContact CE2-SD 3.89Å; F103-M178 HydrophobicContact CG-CG 3.84Å; F103-M178 HydrophobicContact CG-SD 4.4Å; F103-M178 HydrophobicContact CZ-CE 4.48Å; F103-M178 HydrophobicContact CZ-SD 4.06Å
104	P	61.8	Low	70.4	Confident	108 Å²	108	58.3 Å²	58.3	70%	0.701	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-6.8	-173.5	28.5	-36.6	0	0	0	114.4	F102	F102-P104 WeakPolarHBondContact O-CD 3.48Å
105	Q	59	Low	70.7	Confident	149 Å²	149	56.2 Å²	56.2	70%	0.696	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-4.4	-178	-59.6	-144.9	42.3	0	0	114.4	F103	F103-Q105 PolarHBondContact O-N 2.9Å
106	G	66.1	Low	71.1	Confident	27 Å²	27	55.4 Å²	55.4	28%	0.278	29%	0.289	S	S	.	.	S	Bend	trans	-126.1	177.3	176.1	0	0	0	0	0	111.6	F103 D177	F103-G106 PolarHBondContact O-N 3.06Å; G106-D177 WeakPolarHBondContact CA-O 3.47Å
107	D	74.6	Confident	71.4	Confident	85 Å²	85	56.2 Å²	56.2	46%	0.455	29%	0.293	S	S	.	.			trans	-101.7	97.1	171.6	-173.4	1.9	0	0	0	109.7	S109 D177 M178	D107-S109 VanDerWaalsContact C-N 3.27Å; D107-S109 PolarHBondContact O-N 3.23Å; D107-S109 WeakPolarHBondContact OD1-CB 3.2Å; D107-S109 PolarHBondContact OD1-N 3.32Å; D107-S109 PolarHBondContact OD1-OG 3.09Å; D107-D177 PolarHBondContact N-O 2.88Å; D107-D177 CarbonylContact O-C 3.58Å; D107-M178 WeakPolarHBondContact O-CA 3.34Å; D107-M178 PolarHBondContact O-N 2.69Å
108	S	71.9	Confident	71.8	Confident	1 Å²	1	53 Å²	53	1%	0.007	28%	0.278	C	S	.	.			trans	-84.9	2.6	178.2	68	0	0	0	0	113.4	S100 M110 Y111 A112	S100-S108 WeakPolarHBondContact CA-OG 3.13Å; S100-S108 PolarHBondContact N-OG 3.43Å; S108-M110 PolarHBondContact O-N 3.2Å; S108-Y111 PolarHBondContact O-N 2.9Å; S108-A112 WeakPolarHBondContact O-CB 3.08Å; S108-A112 PolarHBondContact O-N 2.85Å
109	S	80.2	Confident	72.1	Confident	47 Å²	47	51.1 Å²	51.1	33%	0.329	27%	0.267	S	S	.	.	H	α-helix	trans	-64.9	-41.8	-167.6	-52.8	0	0	0	0	112.8	K96 D107 H113	K96-S109 VanDerWaalsContact CE-O 3.3Å; K96-S109 WeakPolarHBondContact CE-O 3.37Å; D107-S109 VanDerWaalsContact C-N 3.27Å; D107-S109 PolarHBondContact O-N 3.23Å; D107-S109 WeakPolarHBondContact OD1-CB 3.2Å; D107-S109 PolarHBondContact OD1-N 3.32Å; D107-S109 PolarHBondContact OD1-OG 3.09Å; S109-H113 PolarHBondContact O-N 2.98Å; S109-H113 VanDerWaalsContact O-N 3.08Å
110	M	80.7	Confident	73	Confident	89 Å²	89	49.7 Å²	49.7	44%	0.438	26%	0.263	S	S	.	.	H	α-helix	trans	-71.4	-43.6	179.5	-71.2	-60.4	-60.5	0	0	111.7	S108 A112 H113 F114 S174	S108-M110 PolarHBondContact O-N 3.2Å; M110-A112 PolarHBondContact O-N 3.03Å; M110-H113 WeakPolarHBondContact O-CB 3.33Å; M110-H113 PolarHBondContact O-N 3.49Å; M110-F114 HydrophobicContact CE-CE1 4.4Å; M110-F114 HydrophobicContact CE-CE2 4.34Å; M110-F114 HydrophobicContact CE-CZ 3.81Å; M110-F114 VanDerWaalsContact O-CD2 3.29Å; M110-F114 WeakPolarHBondContact O-CD2 2.93Å; M110-F114 WeakPolarHBondContact O-CG 3.31Å; M110-F114 PolarHBondContact O-N 3.23Å; M110-F114 VanDerWaalsContact O-N 3.13Å; M110-S174 WeakPolarHBondContact CB-OG 3.48Å
111	Y	77.6	Confident	73.3	Confident	10 Å²	10	52.6 Å²	52.6	4%	0.039	28%	0.279	C	S	.	.	H	α-helix	trans	-65.2	-40.9	177.2	-171.5	-101.5	0	0	0	111.8	Y99 S108 H113 F114 L115 I175 M178	Y99-Y111 AromaticContact CE1-CD1 3.93Å; Y99-Y111 HydrophobicContact CE1-CD1 3.93Å; Y99-Y111 HydrophobicContact CE1-CE1 4.23Å; S108-Y111 PolarHBondContact O-N 2.9Å; Y111-H113 VanDerWaalsContact C-N 3.27Å; Y111-H113 PolarHBondContact O-N 3.16Å; Y111-F114 PolarHBondContact O-N 3.5Å; Y111-L115 WeakPolarHBondContact O-CB 2.97Å; Y111-L115 PolarHBondContact O-N 3.16Å; Y111-I175 HydrophobicContact CD2-CD1 4.48Å; Y111-I175 HydrophobicContact CD2-CG1 3.61Å; Y111-I175 HydrophobicContact CE2-CD1 4Å; Y111-I175 HydrophobicContact CE2-CG1 3.53Å; Y111-M178 HydrophobicContact CD1-CE 4.04Å; Y111-M178 HydrophobicContact CD1-SD 3.61Å; Y111-M178 HydrophobicContact CE1-CE 4.24Å; Y111-M178 HydrophobicContact CE1-SD 4.25Å; Y111-M178 HydrophobicContact CG-CE 4.36Å; Y111-M178 HydrophobicContact CG-SD 4.09Å
112	A	76.4	Confident	73.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-32.1	174.7	0	0	0	0	0	112.6	F95 K96 Y99 S108 M110 F116	F95-A112 HydrophobicContact CD1-CB 4.2Å; F95-A112 WeakPolarHBondContact CD1-O 3.31Å; F95-A112 HydrophobicContact CE1-CB 4.39Å; F95-A112 WeakPolarHBondContact CE1-O 3.48Å; K96-A112 HydrophobicContact CG-CB 3.92Å; Y99-A112 HydrophobicContact CD1-CB 4.28Å; Y99-A112 HydrophobicContact CG-CB 3.96Å; S108-A112 WeakPolarHBondContact O-CB 3.08Å; S108-A112 PolarHBondContact O-N 2.85Å; M110-A112 PolarHBondContact O-N 3.03Å; A112-F116 VanDerWaalsContact O-CB 3.24Å; A112-F116 WeakPolarHBondContact O-CB 2.94Å; A112-F116 PolarHBondContact O-N 3.04Å
113	H	84.7	Confident	74.9	Confident	41 Å²	41	52.8 Å²	52.8	19%	0.19	28%	0.282	C	S	.	.	H	α-helix	trans	-64.1	-51.7	172.7	173.3	67	0	0	0	111.6	E92 S109 M110 Y111 L115 F116 E117	E92-H113 VanDerWaalsContact CD-ND1 3.34Å; E92-H113 IonicContact OE1-CE1 2.69Å; E92-H113 IonicContact OE1-CG 2.68Å; E92-H113 IonicContact OE1-ND1 3.36Å; E92-H113 PolarHBondContact OE1-ND1 3.49Å; E92-H113 IonicContact OE2-ND1 3.56Å; S109-H113 PolarHBondContact O-N 2.98Å; S109-H113 VanDerWaalsContact O-N 3.08Å; M110-H113 WeakPolarHBondContact O-CB 3.33Å; M110-H113 PolarHBondContact O-N 3.49Å; Y111-H113 VanDerWaalsContact C-N 3.27Å; Y111-H113 PolarHBondContact O-N 3.16Å; H113-L115 VanDerWaalsContact C-N 3.3Å; H113-L115 PolarHBondContact O-N 2.75Å; H113-F116 WeakPolarHBondContact O-CB 3.27Å; H113-F116 PolarHBondContact O-N 2.84Å; H113-F116 VanDerWaalsContact O-N 3.13Å; H113-E117 IonicContact CE1-OE1 3.9Å; H113-E117 PolarHBondContact CE1-OE1 2.85Å; H113-E117 VanDerWaalsContact CE1-OE1 3.31Å; H113-E117 IonicContact NE2-OE1 2.75Å; H113-E117 PolarHBondContact NE2-OE1 3.36Å; H113-E117 PolarHBondContact O-N 2.7Å
114	F	79.3	Confident	75.9	Confident	15 Å²	15	54.7 Å²	54.7	7%	0.066	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-39.5	179.2	-59.4	-40.2	0	0	0	112.6	M110 Y111 E117 A118 L154 L157 I171 S174	M110-F114 HydrophobicContact CE-CE1 4.4Å; M110-F114 HydrophobicContact CE-CE2 4.34Å; M110-F114 HydrophobicContact CE-CZ 3.81Å; M110-F114 VanDerWaalsContact O-CD2 3.29Å; M110-F114 WeakPolarHBondContact O-CD2 2.93Å; M110-F114 WeakPolarHBondContact O-CG 3.31Å; M110-F114 PolarHBondContact O-N 3.23Å; M110-F114 VanDerWaalsContact O-N 3.13Å; Y111-F114 PolarHBondContact O-N 3.5Å; F114-E117 PolarHBondContact O-N 2.99Å; F114-A118 PolarHBondContact O-N 3.36Å; F114-L154 HydrophobicContact CB-CD1 4.27Å; F114-L157 HydrophobicContact CB-CD2 4.25Å; F114-L157 HydrophobicContact CD1-CD1 4.42Å; F114-L157 HydrophobicContact CD1-CD2 3.33Å; F114-L157 HydrophobicContact CD1-CG 4.48Å; F114-L157 HydrophobicContact CD2-CD2 4.31Å; F114-L157 HydrophobicContact CE1-CD1 3.78Å; F114-L157 HydrophobicContact CE1-CD2 3.57Å; F114-L157 HydrophobicContact CE1-CG 4.29Å; F114-L157 HydrophobicContact CE2-CD1 4.46Å; F114-L157 HydrophobicContact CE2-CD2 4.46Å; F114-L157 HydrophobicContact CG-CD2 3.74Å; F114-L157 HydrophobicContact CZ-CD1 3.78Å; F114-L157 HydrophobicContact CZ-CD2 4.12Å; F114-I171 HydrophobicContact CB-CD1 3.96Å; F114-I171 HydrophobicContact CD2-CD1 3.44Å; F114-I171 VanDerWaalsContact CD2-CD1 3.44Å; F114-I171 HydrophobicContact CE2-CD1 3.97Å; F114-I171 HydrophobicContact CG-CD1 3.8Å; F114-S174 VanDerWaalsContact CE2-OG 3.3Å; F114-S174 WeakPolarHBondContact CE2-OG 3.17Å
115	L	76.8	Confident	76.8	Confident	12 Å²	12	51.6 Å²	51.6	6%	0.063	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-42.7	175.1	-171.2	64	0	0	0	111.3	F95 Y99 Y111 H113 E117 A118 F119 W150 L154	F95-L115 HydrophobicContact CE1-CB 4.07Å; F95-L115 HydrophobicContact CE1-CD2 3.96Å; F95-L115 HydrophobicContact CE1-CG 4.08Å; F95-L115 HydrophobicContact CZ-CB 4.42Å; F95-L115 HydrophobicContact CZ-CD2 3.79Å; F95-L115 HydrophobicContact CZ-CG 3.94Å; Y99-L115 HydrophobicContact CD2-CD2 4.41Å; Y99-L115 HydrophobicContact CE2-CD2 3.45Å; Y99-L115 VanDerWaalsContact CE2-CD2 3.45Å; Y99-L115 VanDerWaalsContact OH-CD2 3.31Å; Y99-L115 WeakPolarHBondContact OH-CD2 3.41Å; Y111-L115 WeakPolarHBondContact O-CB 2.97Å; Y111-L115 PolarHBondContact O-N 3.16Å; H113-L115 VanDerWaalsContact C-N 3.3Å; H113-L115 PolarHBondContact O-N 2.75Å; L115-E117 PolarHBondContact O-N 3.35Å; L115-A118 WeakPolarHBondContact O-CB 3.37Å; L115-A118 PolarHBondContact O-N 3.4Å; L115-A118 VanDerWaalsContact O-N 3.17Å; L115-F119 HydrophobicContact CD1-CD2 4.13Å; L115-F119 HydrophobicContact CD1-CE2 3.68Å; L115-F119 HydrophobicContact CD2-CE2 4.35Å; L115-F119 HydrophobicContact CG-CD2 3.98Å; L115-F119 HydrophobicContact CG-CE2 3.78Å; L115-F119 VanDerWaalsContact O-CD2 3.24Å; L115-F119 WeakPolarHBondContact O-CD2 3.49Å; L115-F119 PolarHBondContact O-N 3.11Å; L115-W150 HydrophobicContact CD1-CH2 3.54Å; L115-W150 HydrophobicContact CD1-CZ2 3.95Å; L115-L154 HydrophobicContact CD1-CD1 4.31Å
116	F	80.6	Confident	77.9	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-58.6	-45.8	175.4	178.8	-91.5	0	0	0	111.8	V90 E92 F95 A112 H113 A118 F119 D120 V127	V90-F116 WeakPolarHBondContact O-CE2 3.12Å; E92-F116 HydrophobicContact CB-CD1 3.99Å; E92-F116 HydrophobicContact CB-CD2 4.38Å; E92-F116 HydrophobicContact CB-CE1 3.9Å; E92-F116 HydrophobicContact CB-CE2 4.28Å; E92-F116 HydrophobicContact CB-CG 4.23Å; E92-F116 HydrophobicContact CB-CZ 4.05Å; E92-F116 HydrophobicContact CG-CB 4.42Å; E92-F116 HydrophobicContact CG-CD1 3.89Å; E92-F116 HydrophobicContact CG-CE1 4.3Å; E92-F116 HydrophobicContact CG-CG 4.05Å; F95-F116 HydrophobicContact CB-CD2 3.78Å; F95-F116 HydrophobicContact CB-CE2 4.45Å; F95-F116 HydrophobicContact CD1-CB 3.89Å; F95-F116 HydrophobicContact CD1-CD2 4.34Å; F95-F116 HydrophobicContact CD2-CD2 4.24Å; F95-F116 HydrophobicContact CE1-CB 4.25Å; F95-F116 HydrophobicContact CG-CB 4.28Å; F95-F116 AromaticContact CG-CD2 3.87Å; F95-F116 HydrophobicContact CG-CD2 3.87Å; A112-F116 VanDerWaalsContact O-CB 3.24Å; A112-F116 WeakPolarHBondContact O-CB 2.94Å; A112-F116 PolarHBondContact O-N 3.04Å; H113-F116 WeakPolarHBondContact O-CB 3.27Å; H113-F116 PolarHBondContact O-N 2.84Å; H113-F116 VanDerWaalsContact O-N 3.13Å; F116-A118 VanDerWaalsContact C-N 3.28Å; F116-A118 PolarHBondContact O-N 3.06Å; F116-F119 PolarHBondContact O-N 3.2Å; F116-F119 VanDerWaalsContact O-N 3.14Å; F116-D120 HydrophobicContact CE1-CB 4.34Å; F116-D120 PolarHBondContact O-N 2.99Å; F116-V127 HydrophobicContact CD2-CG2 3.78Å; F116-V127 HydrophobicContact CE2-CB 4.2Å; F116-V127 HydrophobicContact CE2-CG2 3.53Å; F116-V127 HydrophobicContact CG-CG2 4.46Å; F116-V127 HydrophobicContact CZ-CG2 4.02Å
117	E	82.8	Confident	78.4	Confident	73 Å²	73	45 Å²	45	34%	0.341	25%	0.248	S	C	.	.	H	α-helix	trans	-64.2	-31.9	176.4	-69.4	-167.9	154.6	0	0	113.1	H113 F114 L115 F119	H113-E117 IonicContact CE1-OE1 3.9Å; H113-E117 PolarHBondContact CE1-OE1 2.85Å; H113-E117 VanDerWaalsContact CE1-OE1 3.31Å; H113-E117 IonicContact NE2-OE1 2.75Å; H113-E117 PolarHBondContact NE2-OE1 3.36Å; H113-E117 PolarHBondContact O-N 2.7Å; F114-E117 PolarHBondContact O-N 2.99Å; L115-E117 PolarHBondContact O-N 3.35Å; E117-F119 VanDerWaalsContact C-N 3.34Å
118	A	77.7	Confident	78.6	Confident	12 Å²	12	41.5 Å²	41.5	10%	0.099	23%	0.231	C	C	.	.	H	α-helix	trans	-70.9	-28.5	174.4	0	0	0	0	0	112.8	F114 L115 F116 W150 L154	F114-A118 PolarHBondContact O-N 3.36Å; L115-A118 WeakPolarHBondContact O-CB 3.37Å; L115-A118 PolarHBondContact O-N 3.4Å; L115-A118 VanDerWaalsContact O-N 3.17Å; F116-A118 VanDerWaalsContact C-N 3.28Å; F116-A118 PolarHBondContact O-N 3.06Å; A118-W150 HydrophobicContact CB-CZ2 4.32Å; A118-L154 HydrophobicContact CB-CB 4.47Å; A118-L154 HydrophobicContact CB-CD1 3.9Å
119	F	75.1	Confident	78.8	Confident	14 Å²	14	42 Å²	42	6%	0.061	23%	0.233	C	C	.	.	H	α-helix	trans	-82.7	-35.2	172.7	-80.9	-77.9	0	0	0	112.7	F95 L115 F116 E117 T121 V127 I139 W150	F95-F119 HydrophobicContact CZ-CD2 4.38Å; L115-F119 HydrophobicContact CD1-CD2 4.13Å; L115-F119 HydrophobicContact CD1-CE2 3.68Å; L115-F119 HydrophobicContact CD2-CE2 4.35Å; L115-F119 HydrophobicContact CG-CD2 3.98Å; L115-F119 HydrophobicContact CG-CE2 3.78Å; L115-F119 VanDerWaalsContact O-CD2 3.24Å; L115-F119 WeakPolarHBondContact O-CD2 3.49Å; L115-F119 PolarHBondContact O-N 3.11Å; F116-F119 PolarHBondContact O-N 3.2Å; F116-F119 VanDerWaalsContact O-N 3.14Å; E117-F119 VanDerWaalsContact C-N 3.34Å; F119-T121 PolarHBondContact O-N 3.49Å; F119-T121 PolarHBondContact O-OG1 3.16Å; F119-V127 HydrophobicContact CB-CG1 4.22Å; F119-V127 HydrophobicContact CB-CG2 3.86Å; F119-I139 HydrophobicContact CE1-CD1 4.16Å; F119-I139 HydrophobicContact CZ-CD1 3.73Å; F119-W150 HydrophobicContact CD2-CZ2 4.4Å; F119-W150 HydrophobicContact CE2-CH2 4.5Å; F119-W150 AromaticContact CE2-CZ2 3.91Å; F119-W150 HydrophobicContact CE2-CZ2 3.91Å; F119-W150 AromaticContact CZ-CZ2 4Å; F119-W150 HydrophobicContact CZ-CZ2 4Å
120	D	81.7	Confident	78.9	Confident	11 Å²	11	41.3 Å²	41.3	6%	0.059	23%	0.225	C	C	.	.			trans	-75.6	70.7	178.2	-174.9	13.7	0	0	0	112.1	F116 N122 K123 N124 G125 V127	F116-D120 HydrophobicContact CE1-CB 4.34Å; F116-D120 PolarHBondContact O-N 2.99Å; D120-N122 PolarHBondContact O-N 2.68Å; D120-K123 PolarHBondContact O-N 3.44Å; D120-K123 PolarHBondContact OD1-N 3.34Å; D120-K123 WeakPolarHBondContact OD2-CA 2.89Å; D120-N124 PolarHBondContact OD1-N 3.23Å; D120-N124 PolarHBondContact OD1-OD1 3.36Å; D120-N124 PolarHBondContact OD2-N 3.02Å; D120-N124 VanDerWaalsContact OD2-N 3.07Å; D120-G125 WeakPolarHBondContact OD2-CA 3.29Å; D120-G125 PolarHBondContact OD2-N 3.03Å; D120-V127 HydrophobicContact CB-CG2 4.02Å
121	T	72.4	Confident	78.8	Confident	107 Å²	107	37.5 Å²	37.5	66%	0.656	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.8	180	-49.2	0	0	0	0	111.8	F119 K123	F119-T121 PolarHBondContact O-N 3.49Å; F119-T121 PolarHBondContact O-OG1 3.16Å; T121-K123 VanDerWaalsContact C-N 3.34Å
122	N	76.2	Confident	78.7	Confident	101 Å²	101	39.2 Å²	39.2	54%	0.54	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-5.4	-178.9	-64.2	-43.8	0	0	0	113.4	D120 N124 D131	D120-N122 PolarHBondContact O-N 2.68Å; N122-N124 PolarHBondContact O-N 2.95Å; N122-N124 VanDerWaalsContact O-N 3.11Å; N122-D131 PolarHBondContact ND2-OD1 2.72Å; N122-D131 PolarHBondContact ND2-OD2 3.29Å
123	K	78.4	Confident	78.7	Confident	145 Å²	145	39.2 Å²	39.2	63%	0.63	21%	0.214	S	C	*	.			trans	47.2	37.2	-178.1	-59.5	-167.9	178.3	-170.5	0	113.2	D120 T121	D120-K123 PolarHBondContact O-N 3.44Å; D120-K123 PolarHBondContact OD1-N 3.34Å; D120-K123 WeakPolarHBondContact OD2-CA 2.89Å; T121-K123 VanDerWaalsContact C-N 3.34Å
124	N	79.8	Confident	78.5	Confident	95 Å²	95	40 Å²	40	51%	0.508	22%	0.217	S	C	.	.	S	Bend	trans	-95.3	2.4	-177.5	68.4	19.3	0	0	0	112.1	D120 N122 S126	D120-N124 PolarHBondContact OD1-N 3.23Å; D120-N124 PolarHBondContact OD1-OD1 3.36Å; D120-N124 PolarHBondContact OD2-N 3.02Å; D120-N124 VanDerWaalsContact OD2-N 3.07Å; N122-N124 PolarHBondContact O-N 2.95Å; N122-N124 VanDerWaalsContact O-N 3.11Å; N124-S126 VanDerWaalsContact C-N 3.32Å; N124-S126 WeakPolarHBondContact OD1-CA 3.45Å; N124-S126 WeakPolarHBondContact OD1-CB 3.39Å; N124-S126 PolarHBondContact OD1-N 2.87Å; N124-S126 PolarHBondContact OD1-O 3.05Å
125	G	81.4	Confident	78.3	Confident	44 Å²	44	39.6 Å²	39.6	45%	0.454	22%	0.216	S	C	.	.	S	Bend	trans	77	17.7	-178	0	0	0	0	0	113.1	D120	D120-G125 WeakPolarHBondContact OD2-CA 3.29Å; D120-G125 PolarHBondContact OD2-N 3.03Å
126	S	81.2	Confident	78.1	Confident	35 Å²	35	40.4 Å²	40.4	25%	0.245	22%	0.221	C	C	.	.	S	Bend	trans	-155.1	118.1	-175.6	-68	0	0	0	0	111.7	V90 N124 S128	V90-S126 CarbonylContact O-C 3.32Å; V90-S126 WeakPolarHBondContact O-CA 3.23Å; N124-S126 VanDerWaalsContact C-N 3.32Å; N124-S126 WeakPolarHBondContact OD1-CA 3.45Å; N124-S126 WeakPolarHBondContact OD1-CB 3.39Å; N124-S126 PolarHBondContact OD1-N 2.87Å; N124-S126 PolarHBondContact OD1-O 3.05Å; S126-S128 PolarHBondContact O-N 2.94Å
127	V	76.7	Confident	77.9	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	115.1	175	175.7	0	0	0	0	108.8	V90 F116 F119 D120 D131 F132	V90-V127 HydrophobicContact CB-CB 4.35Å; V90-V127 PolarHBondContact N-O 2.84Å; V90-V127 PolarHBondContact O-N 3.24Å; F116-V127 HydrophobicContact CD2-CG2 3.78Å; F116-V127 HydrophobicContact CE2-CB 4.2Å; F116-V127 HydrophobicContact CE2-CG2 3.53Å; F116-V127 HydrophobicContact CG-CG2 4.46Å; F116-V127 HydrophobicContact CZ-CG2 4.02Å; F119-V127 HydrophobicContact CB-CG1 4.22Å; F119-V127 HydrophobicContact CB-CG2 3.86Å; D120-V127 HydrophobicContact CB-CG2 4.02Å; V127-D131 HydrophobicContact CG1-CB 4Å; V127-F132 HydrophobicContact CG1-CB 4.13Å
128	S	80.2	Confident	77.5	Confident	13 Å²	13	40 Å²	40	9%	0.091	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	167.1	173.4	73.8	0	0	0	0	111.1	S126 E130 D131 F132	S126-S128 PolarHBondContact O-N 2.94Å; S128-E130 PolarHBondContact O-N 3.46Å; S128-E130 PolarHBondContact OG-N 2.94Å; S128-D131 WeakPolarHBondContact CB-OD2 3.41Å; S128-D131 PolarHBondContact N-OD2 2.7Å; S128-D131 VanDerWaalsContact N-OD2 3.16Å; S128-D131 PolarHBondContact O-N 2.6Å; S128-D131 VanDerWaalsContact OG-CG 3.22Å; S128-D131 PolarHBondContact OG-N 2.81Å; S128-D131 PolarHBondContact OG-OD2 2.69Å; S128-F132 WeakPolarHBondContact O-CB 3.16Å; S128-F132 PolarHBondContact O-N 2.66Å
129	F	75.9	Confident	77	Confident	10 Å²	10	40.1 Å²	40.1	4%	0.044	22%	0.22	C	C	.	.	H	α-helix	trans	-58.8	-34.6	172.7	177.7	-111.7	0	0	0	112.1	L63 L77 Y78 F81 F132 V133	L63-F129 HydrophobicContact CD1-CD1 4.08Å; L63-F129 HydrophobicContact CD1-CE1 3.93Å; L77-F129 HydrophobicContact CB-CE2 3.94Å; L77-F129 HydrophobicContact CB-CZ 4.07Å; Y78-F129 HydrophobicContact CD2-CB 4.33Å; Y78-F129 AromaticContact CD2-CD1 3.58Å; Y78-F129 HydrophobicContact CD2-CD1 3.58Å; Y78-F129 AromaticContact CD2-CD2 3.91Å; Y78-F129 HydrophobicContact CD2-CD2 3.91Å; Y78-F129 AromaticContact CD2-CE1 3.74Å; Y78-F129 HydrophobicContact CD2-CE1 3.74Å; Y78-F129 HydrophobicContact CD2-CE2 4.09Å; Y78-F129 AromaticContact CD2-CG 3.65Å; Y78-F129 HydrophobicContact CD2-CG 3.65Å; Y78-F129 AromaticContact CD2-CZ 3.99Å; Y78-F129 HydrophobicContact CD2-CZ 3.99Å; Y78-F129 HydrophobicContact CE2-CB 4.47Å; Y78-F129 HydrophobicContact CE2-CD1 4.25Å; Y78-F129 HydrophobicContact CE2-CG 4.24Å; Y78-F129 HydrophobicContact CG-CE1 4.29Å; Y78-F129 HydrophobicContact CG-CZ 4.27Å; Y78-F129 VanDerWaalsContact N-CE2 3.31Å; F81-F129 HydrophobicContact CB-CD2 3.85Å; F81-F129 HydrophobicContact CB-CE2 4.23Å; F81-F129 HydrophobicContact CD1-CB 4.18Å; F81-F129 HydrophobicContact CD1-CD2 4.17Å; F81-F129 HydrophobicContact CD2-CD2 4.1Å; F81-F129 HydrophobicContact CE1-CB 4.08Å; F81-F129 AromaticContact CG-CD2 3.79Å; F81-F129 HydrophobicContact CG-CD2 3.79Å; F81-F129 HydrophobicContact CZ-CB 4.32Å; F129-F132 PolarHBondContact O-N 3.21Å; F129-V133 HydrophobicContact CD1-CG2 4.2Å; F129-V133 HydrophobicContact CD2-CG2 4Å; F129-V133 HydrophobicContact CE1-CG2 3.7Å; F129-V133 HydrophobicContact CE2-CG2 3.45Å; F129-V133 VanDerWaalsContact CE2-CG2 3.45Å; F129-V133 HydrophobicContact CG-CG2 4.35Å; F129-V133 HydrophobicContact CZ-CG2 3.3Å; F129-V133 VanDerWaalsContact O-CG2 3.28Å; F129-V133 WeakPolarHBondContact O-CG2 3.34Å; F129-V133 PolarHBondContact O-N 3.36Å
130	E	81.8	Confident	76.5	Confident	34 Å²	34	42.9 Å²	42.9	16%	0.159	24%	0.235	C	C	.	.	H	α-helix	trans	-66.2	-51.5	-179.7	-55.3	176.2	-172.5	0	0	109.8	E58 L63 S128 F132 V133 F134	E58-E130 WeakPolarHBondContact CB-OE1 3.35Å; E58-E130 WeakPolarHBondContact CG-OE1 3.49Å; E58-E130 PolarHBondContact N-OE1 3.05Å; L63-E130 HydrophobicContact CD1-CG 4.4Å; L63-E130 HydrophobicContact CD2-CB 4.18Å; L63-E130 HydrophobicContact CD2-CG 4.06Å; S128-E130 PolarHBondContact O-N 3.46Å; S128-E130 PolarHBondContact OG-N 2.94Å; E130-F132 PolarHBondContact O-N 3.07Å; E130-V133 PolarHBondContact O-N 3.15Å; E130-V133 VanDerWaalsContact O-N 3.14Å; E130-F134 HydrophobicContact CB-CD2 4.27Å; E130-F134 HydrophobicContact CB-CE2 4.18Å; E130-F134 WeakPolarHBondContact O-CB 3.38Å; E130-F134 WeakPolarHBondContact O-CD2 3.27Å; E130-F134 PolarHBondContact O-N 2.8Å
131	D	79.4	Confident	75.9	Confident	9 Å²	9	46.6 Å²	46.6	5%	0.048	25%	0.248	C	C	.	.	H	α-helix	trans	-55	-42.4	176.4	-62	-48	0	0	0	111.4	N122 V127 S128 F134 G135	N122-D131 PolarHBondContact ND2-OD1 2.72Å; N122-D131 PolarHBondContact ND2-OD2 3.29Å; V127-D131 HydrophobicContact CG1-CB 4Å; S128-D131 WeakPolarHBondContact CB-OD2 3.41Å; S128-D131 PolarHBondContact N-OD2 2.7Å; S128-D131 VanDerWaalsContact N-OD2 3.16Å; S128-D131 PolarHBondContact O-N 2.6Å; S128-D131 VanDerWaalsContact OG-CG 3.22Å; S128-D131 PolarHBondContact OG-N 2.81Å; S128-D131 PolarHBondContact OG-OD2 2.69Å; D131-F134 PolarHBondContact O-N 2.69Å; D131-G135 PolarHBondContact O-N 3.05Å
132	F	74.5	Confident	75.7	Confident	46 Å²	46	42 Å²	42	20%	0.202	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-48.7	177.1	-174.9	-106	0	0	0	112.5	F81 V127 S128 F129 E130 G135 L136	F81-F132 HydrophobicContact CD2-CB 4.38Å; F81-F132 AromaticContact CD2-CD1 3.99Å; F81-F132 HydrophobicContact CD2-CD1 3.99Å; F81-F132 HydrophobicContact CD2-CE1 4.47Å; F81-F132 HydrophobicContact CD2-CG 4.14Å; F81-F132 HydrophobicContact CE2-CB 3.99Å; F81-F132 HydrophobicContact CE2-CD1 4.41Å; F81-F132 HydrophobicContact CE2-CG 4.11Å; V127-F132 HydrophobicContact CG1-CB 4.13Å; S128-F132 WeakPolarHBondContact O-CB 3.16Å; S128-F132 PolarHBondContact O-N 2.66Å; F129-F132 PolarHBondContact O-N 3.21Å; E130-F132 PolarHBondContact O-N 3.07Å; F132-G135 PolarHBondContact O-N 3.43Å; F132-L136 HydrophobicContact CD1-CD1 3.87Å; F132-L136 HydrophobicContact CE1-CD1 3.37Å; F132-L136 HydrophobicContact CE1-CG 4.33Å; F132-L136 HydrophobicContact CE2-CD1 4.4Å; F132-L136 HydrophobicContact CZ-CD1 3.68Å; F132-L136 HydrophobicContact CZ-CG 4.34Å; F132-L136 WeakPolarHBondContact O-CB 3.47Å; F132-L136 WeakPolarHBondContact O-CG 3.5Å; F132-L136 PolarHBondContact O-N 3.11Å
133	V	76.7	Confident	75.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68	-37	179.5	175.3	0	0	0	0	111.5	T67 F69 L74 L77 F129 E130 L136 S137	T67-V133 HydrophobicContact CG2-CG1 3.67Å; F69-V133 HydrophobicContact CD2-CG1 3.85Å; F69-V133 HydrophobicContact CE2-CG1 4.26Å; L74-V133 HydrophobicContact CD2-CB 4.46Å; L74-V133 HydrophobicContact CD2-CG1 3.36Å; L74-V133 HydrophobicContact CD2-CG2 4.24Å; L77-V133 HydrophobicContact CD1-CG2 4.39Å; F129-V133 HydrophobicContact CD1-CG2 4.2Å; F129-V133 HydrophobicContact CD2-CG2 4Å; F129-V133 HydrophobicContact CE1-CG2 3.7Å; F129-V133 HydrophobicContact CE2-CG2 3.45Å; F129-V133 VanDerWaalsContact CE2-CG2 3.45Å; F129-V133 HydrophobicContact CG-CG2 4.35Å; F129-V133 HydrophobicContact CZ-CG2 3.3Å; F129-V133 VanDerWaalsContact O-CG2 3.28Å; F129-V133 WeakPolarHBondContact O-CG2 3.34Å; F129-V133 PolarHBondContact O-N 3.36Å; E130-V133 PolarHBondContact O-N 3.15Å; E130-V133 VanDerWaalsContact O-N 3.14Å; V133-L136 PolarHBondContact O-N 2.61Å; V133-S137 VanDerWaalsContact O-CB 3.3Å; V133-S137 WeakPolarHBondContact O-CB 3.4Å; V133-S137 PolarHBondContact O-N 2.79Å
134	F	80.4	Confident	75.8	Confident	57 Å²	57	37.6 Å²	37.6	25%	0.25	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-49.6	175.6	-81.8	-58.6	0	0	0	112	L63 Q66 T67 E130 D131 L136 S137 I138	L63-F134 HydrophobicContact CD2-CE2 3.96Å; L63-F134 HydrophobicContact CD2-CZ 4.08Å; Q66-F134 HydrophobicContact CB-CE1 3.56Å; Q66-F134 HydrophobicContact CB-CZ 3.66Å; Q66-F134 HydrophobicContact CG-CZ 4.5Å; Q66-F134 VanDerWaalsContact OE1-CZ 3.3Å; T67-F134 HydrophobicContact CG2-CD1 3.8Å; T67-F134 HydrophobicContact CG2-CE1 3.63Å; T67-F134 HydrophobicContact CG2-CZ 4.25Å; E130-F134 HydrophobicContact CB-CD2 4.27Å; E130-F134 HydrophobicContact CB-CE2 4.18Å; E130-F134 WeakPolarHBondContact O-CB 3.38Å; E130-F134 WeakPolarHBondContact O-CD2 3.27Å; E130-F134 PolarHBondContact O-N 2.8Å; D131-F134 PolarHBondContact O-N 2.69Å; F134-L136 VanDerWaalsContact C-N 3.34Å; F134-L136 PolarHBondContact O-N 3.44Å; F134-S137 WeakPolarHBondContact O-CB 3.37Å; F134-S137 PolarHBondContact O-N 2.57Å; F134-S137 VanDerWaalsContact O-N 3.16Å; F134-I138 WeakPolarHBondContact O-CG1 3.23Å; F134-I138 PolarHBondContact O-N 3.31Å; F134-I138 VanDerWaalsContact O-N 3.11Å
135	G	74.9	Confident	75.9	Confident	6 Å²	6	36.2 Å²	36.2	6%	0.062	20%	0.2	C	C	.	.	H	α-helix	trans	-57	-48.1	175	0	0	0	0	0	111.6	D131 F132 S137 I138 I139	D131-G135 PolarHBondContact O-N 3.05Å; F132-G135 PolarHBondContact O-N 3.43Å; G135-S137 VanDerWaalsContact C-N 3.31Å; G135-S137 PolarHBondContact O-N 3.21Å; G135-I138 PolarHBondContact O-N 2.95Å; G135-I139 WeakPolarHBondContact O-CB 3.47Å; G135-I139 WeakPolarHBondContact O-CD1 3.3Å; G135-I139 VanDerWaalsContact O-CG1 3.23Å; G135-I139 WeakPolarHBondContact O-CG1 3.45Å; G135-I139 PolarHBondContact O-N 3.28Å
136	L	72.3	Confident	75.9	Confident	29 Å²	29	37 Å²	37	15%	0.152	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-35.7	176.6	-73.5	-178.8	0	0	0	113.5	F69 L77 F132 V133 F134 I138 L140	F69-L136 HydrophobicContact CE2-CB 4.15Å; F69-L136 HydrophobicContact CZ-CB 4.21Å; L77-L136 HydrophobicContact CD2-CD1 4.18Å; F132-L136 HydrophobicContact CD1-CD1 3.87Å; F132-L136 HydrophobicContact CE1-CD1 3.37Å; F132-L136 HydrophobicContact CE1-CG 4.33Å; F132-L136 HydrophobicContact CE2-CD1 4.4Å; F132-L136 HydrophobicContact CZ-CD1 3.68Å; F132-L136 HydrophobicContact CZ-CG 4.34Å; F132-L136 WeakPolarHBondContact O-CB 3.47Å; F132-L136 WeakPolarHBondContact O-CG 3.5Å; F132-L136 PolarHBondContact O-N 3.11Å; V133-L136 PolarHBondContact O-N 2.61Å; F134-L136 VanDerWaalsContact C-N 3.34Å; F134-L136 PolarHBondContact O-N 3.44Å; L136-I138 VanDerWaalsContact C-N 3.32Å; L136-I138 PolarHBondContact O-N 3.11Å; L136-L140 HydrophobicContact CB-CD1 4.4Å; L136-L140 HydrophobicContact CD2-CD1 4.32Å; L136-L140 VanDerWaalsContact O-CB 3.22Å; L136-L140 WeakPolarHBondContact O-CB 3.43Å; L136-L140 WeakPolarHBondContact O-CG 3.45Å; L136-L140 PolarHBondContact O-N 3.37Å
137	S	75.9	Confident	75.6	Confident	11 Å²	11	39.1 Å²	39.1	8%	0.077	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-39.2	178.3	178.9	0	0	0	0	111	K68 V133 F134 G135 R141 G142	K68-S137 PolarHBondContact N-OG 3.02Å; V133-S137 VanDerWaalsContact O-CB 3.3Å; V133-S137 WeakPolarHBondContact O-CB 3.4Å; V133-S137 PolarHBondContact O-N 2.79Å; F134-S137 WeakPolarHBondContact O-CB 3.37Å; F134-S137 PolarHBondContact O-N 2.57Å; F134-S137 VanDerWaalsContact O-N 3.16Å; G135-S137 VanDerWaalsContact C-N 3.31Å; G135-S137 PolarHBondContact O-N 3.21Å; S137-R141 CarbonylContact O-C 3.56Å; S137-R141 VanDerWaalsContact O-C 3.29Å; S137-R141 WeakPolarHBondContact O-CA 3.4Å; S137-R141 WeakPolarHBondContact O-CB 3.31Å; S137-R141 PolarHBondContact O-N 3.35Å; S137-G142 PolarHBondContact O-N 3.01Å
138	I	74.1	Confident	75.7	Confident	59 Å²	59	39.2 Å²	39.2	30%	0.303	20%	0.197	S	C	.	.	H	α-helix	trans	-69.7	-49.4	176.4	-66.9	165.8	0	0	0	110.7	F134 G135 L136 G142 D146 W150	F134-I138 WeakPolarHBondContact O-CG1 3.23Å; F134-I138 PolarHBondContact O-N 3.31Å; F134-I138 VanDerWaalsContact O-N 3.11Å; G135-I138 PolarHBondContact O-N 2.95Å; L136-I138 VanDerWaalsContact C-N 3.32Å; L136-I138 PolarHBondContact O-N 3.11Å; I138-G142 WeakPolarHBondContact O-CA 3.26Å; I138-G142 PolarHBondContact O-N 3.38Å; I138-D146 HydrophobicContact CG2-CB 3.89Å; I138-D146 WeakPolarHBondContact CG2-O 3.4Å; I138-W150 HydrophobicContact CG2-CB 3.93Å; I138-W150 HydrophobicContact CG2-CG 4.38Å
139	I	68.3	Low	75.9	Confident	15 Å²	15	41.2 Å²	41.2	8%	0.077	21%	0.207	C	C	.	.	H	α-helix	trans	-61.8	-53.8	-178.7	-68.4	165.7	0	0	0	110.6	F119 G135 R147 W150 I237	F119-I139 HydrophobicContact CE1-CD1 4.16Å; F119-I139 HydrophobicContact CZ-CD1 3.73Å; G135-I139 WeakPolarHBondContact O-CB 3.47Å; G135-I139 WeakPolarHBondContact O-CD1 3.3Å; G135-I139 VanDerWaalsContact O-CG1 3.23Å; G135-I139 WeakPolarHBondContact O-CG1 3.45Å; G135-I139 PolarHBondContact O-N 3.28Å; I139-R147 VanDerWaalsContact O-CZ 3.27Å; I139-R147 PolarHBondContact O-NE 2.89Å; I139-R147 PolarHBondContact O-NH2 3.15Å; I139-W150 HydrophobicContact CD1-CD2 4.31Å; I139-W150 HydrophobicContact CD1-CE3 4.48Å; I139-W150 HydrophobicContact CD1-CH2 3.93Å; I139-W150 HydrophobicContact CD1-CZ2 3.73Å; I139-W150 HydrophobicContact CD1-CZ3 4.32Å; I139-W150 HydrophobicContact CG1-CD2 4.12Å; I139-W150 HydrophobicContact CG1-CE3 4.23Å; I139-W150 HydrophobicContact CG1-CZ2 4.43Å; I139-W150 HydrophobicContact CG1-CZ3 4.44Å; I139-I237 HydrophobicContact CD1-CG2 4.42Å; I139-I237 HydrophobicContact CG2-CB 3.94Å; I139-I237 HydrophobicContact CG2-CD1 4.28Å; I139-I237 HydrophobicContact CG2-CG2 3.3Å
140	L	64.9	Low	76	Confident	73 Å²	73	41.5 Å²	41.5	38%	0.382	21%	0.207	S	C	.	.	H	α-helix	trans	-81.6	-38.7	-171.3	-61.6	175.3	0	0	0	112.6	F69 L136 R147	F69-L140 HydrophobicContact CZ-CD1 4.09Å; L136-L140 HydrophobicContact CB-CD1 4.4Å; L136-L140 HydrophobicContact CD2-CD1 4.32Å; L136-L140 VanDerWaalsContact O-CB 3.22Å; L136-L140 WeakPolarHBondContact O-CB 3.43Å; L136-L140 WeakPolarHBondContact O-CG 3.45Å; L136-L140 PolarHBondContact O-N 3.37Å; L140-R147 PolarHBondContact O-NH2 2.62Å
141	R	69.7	Low	75.9	Confident	88 Å²	88	40.1 Å²	40.1	33%	0.332	20%	0.201	S	C	.	.	H	α-helix	trans	-124.8	0.7	-169.9	-58.5	-177	-179.2	-176	2.5	113.6	K68 F69 E73 S137	K68-R141 HydrophobicContact CB-CB 3.81Å; K68-R141 HydrophobicContact CB-CG 4.4Å; K68-R141 HydrophobicContact CD-CB 3.82Å; K68-R141 VanDerWaalsContact CD-O 3.25Å; K68-R141 WeakPolarHBondContact CD-O 3.31Å; K68-R141 HydrophobicContact CG-CB 4.44Å; K68-R141 PolarHBondContact NZ-O 3.21Å; K68-R141 VanDerWaalsContact O-CD 3.28Å; K68-R141 WeakPolarHBondContact O-CD 3.18Å; K68-R141 PolarHBondContact O-NH1 3.04Å; F69-R141 VanDerWaalsContact CD1-CZ 3.42Å; E73-R141 VanDerWaalsContact CD-NH2 3.29Å; E73-R141 IonicContact OE1-CZ 2.5Å; E73-R141 IonicContact OE1-NH1 3.59Å; E73-R141 IonicContact OE1-NH2 2.84Å; E73-R141 PolarHBondContact OE1-NH2 3.15Å; E73-R141 IonicContact OE2-CZ 3.77Å; E73-R141 IonicContact OE2-NH1 3.54Å; E73-R141 PolarHBondContact OE2-NH1 3.44Å; E73-R141 IonicContact OE2-NH2 3.51Å; E73-R141 PolarHBondContact OE2-NH2 3.16Å; S137-R141 CarbonylContact O-C 3.56Å; S137-R141 VanDerWaalsContact O-C 3.29Å; S137-R141 WeakPolarHBondContact O-CA 3.4Å; S137-R141 WeakPolarHBondContact O-CB 3.31Å; S137-R141 PolarHBondContact O-N 3.35Å
142	G	67.5	Low	76	Confident	10 Å²	10	39.8 Å²	39.8	10%	0.103	20%	0.2	C	C	.	.	S	Bend	trans	-69	161	175.9	0	0	0	0	0	112.2	S137 I138 R147	S137-G142 PolarHBondContact O-N 3.01Å; I138-G142 WeakPolarHBondContact O-CA 3.26Å; I138-G142 PolarHBondContact O-N 3.38Å; G142-R147 PolarHBondContact O-NE 2.84Å
143	T	80.6	Confident	76.4	Confident	66 Å²	66	41.2 Å²	41.2	41%	0.405	21%	0.21	S	C	.	.			trans	-70.3	166.7	170	68.2	0	0	0	0	110.2	N145 D146 R147	T143-N145 PolarHBondContact O-N 3.1Å; T143-D146 WeakPolarHBondContact CB-OD2 3.07Å; T143-D146 WeakPolarHBondContact CG2-OD2 3.32Å; T143-D146 PolarHBondContact N-OD2 3.03Å; T143-D146 PolarHBondContact O-N 3.35Å; T143-D146 PolarHBondContact OG1-N 3.25Å; T143-D146 PolarHBondContact OG1-OD1 2.97Å; T143-D146 PolarHBondContact OG1-OD2 2.86Å; T143-R147 WeakPolarHBondContact O-CG 3.13Å; T143-R147 PolarHBondContact O-N 2.76Å
144	I	76.5	Confident	76.7	Confident	89 Å²	89	41.7 Å²	41.7	46%	0.456	21%	0.212	S	C	.	.	H	α-helix	trans	-54.8	-39.3	174.5	-63.6	171.2	0	0	0	110.8	R147 L148 M227	I144-R147 PolarHBondContact O-N 3.46Å; I144-L148 HydrophobicContact CG2-CD1 3.9Å; I144-L148 HydrophobicContact CG2-CG 4.31Å; I144-L148 WeakPolarHBondContact O-CB 3.45Å; I144-L148 VanDerWaalsContact O-CG 3.25Å; I144-L148 WeakPolarHBondContact O-CG 3.45Å; I144-L148 PolarHBondContact O-N 3.07Å; I144-M227 HydrophobicContact CD1-CE 4.27Å; I144-M227 HydrophobicContact CG2-CE 3.65Å
145	N	81.4	Confident	76.7	Confident	66 Å²	66	39.6 Å²	39.6	35%	0.353	20%	0.202	S	C	.	.	H	α-helix	trans	-66.3	-40.7	177.3	-64.4	-42.4	0	0	0	112.1	T143 R147 L148 N149 K221	T143-N145 PolarHBondContact O-N 3.1Å; N145-R147 VanDerWaalsContact C-N 3.31Å; N145-R147 PolarHBondContact O-N 3.31Å; N145-L148 PolarHBondContact O-N 3.02Å; N145-N149 WeakPolarHBondContact O-CB 2.89Å; N145-N149 VanDerWaalsContact O-CG 3.25Å; N145-N149 PolarHBondContact O-N 3.46Å; N145-N149 PolarHBondContact O-ND2 2.99Å; N145-N149 VanDerWaalsContact O-ND2 3.12Å; N145-K221 WeakPolarHBondContact OD1-CE 3.36Å; N145-K221 PolarHBondContact OD1-NZ 2.96Å
146	D	80.8	Confident	77.3	Confident	61 Å²	61	39.5 Å²	39.5	33%	0.326	20%	0.2	S	C	.	.	H	α-helix	trans	-63.7	-40.7	179.1	-53.7	-37.9	0	0	0	110.8	I138 T143 N149 W150	I138-D146 HydrophobicContact CG2-CB 3.89Å; I138-D146 WeakPolarHBondContact CG2-O 3.4Å; T143-D146 WeakPolarHBondContact CB-OD2 3.07Å; T143-D146 WeakPolarHBondContact CG2-OD2 3.32Å; T143-D146 PolarHBondContact N-OD2 3.03Å; T143-D146 PolarHBondContact O-N 3.35Å; T143-D146 PolarHBondContact OG1-N 3.25Å; T143-D146 PolarHBondContact OG1-OD1 2.97Å; T143-D146 PolarHBondContact OG1-OD2 2.86Å; D146-N149 PolarHBondContact O-N 3.06Å; D146-W150 WeakPolarHBondContact O-CB 3.25Å; D146-W150 PolarHBondContact O-N 2.96Å
147	R	74.8	Confident	77.9	Confident	78 Å²	78	39.5 Å²	39.5	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-65.3	-45.8	175.5	-65	176	-172.7	-172.3	-2.2	111.8	I139 L140 G142 T143 I144 N145 N149 W150 A151	I139-R147 VanDerWaalsContact O-CZ 3.27Å; I139-R147 PolarHBondContact O-NE 2.89Å; I139-R147 PolarHBondContact O-NH2 3.15Å; L140-R147 PolarHBondContact O-NH2 2.62Å; G142-R147 PolarHBondContact O-NE 2.84Å; T143-R147 WeakPolarHBondContact O-CG 3.13Å; T143-R147 PolarHBondContact O-N 2.76Å; I144-R147 PolarHBondContact O-N 3.46Å; N145-R147 VanDerWaalsContact C-N 3.31Å; N145-R147 PolarHBondContact O-N 3.31Å; R147-N149 VanDerWaalsContact C-N 3.33Å; R147-N149 PolarHBondContact O-N 2.95Å; R147-W150 PolarHBondContact O-N 3.44Å; R147-W150 VanDerWaalsContact O-N 3.12Å; R147-A151 WeakPolarHBondContact O-CB 3.04Å; R147-A151 PolarHBondContact O-N 2.93Å
148	L	78.8	Confident	78.4	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-37.3	176.5	-70.9	173.7	0	0	0	112.5	I144 N145 W150 A151 F152 F216 I217 C220	I144-L148 HydrophobicContact CG2-CD1 3.9Å; I144-L148 HydrophobicContact CG2-CG 4.31Å; I144-L148 WeakPolarHBondContact O-CB 3.45Å; I144-L148 VanDerWaalsContact O-CG 3.25Å; I144-L148 WeakPolarHBondContact O-CG 3.45Å; I144-L148 PolarHBondContact O-N 3.07Å; N145-L148 PolarHBondContact O-N 3.02Å; L148-W150 VanDerWaalsContact C-N 3.35Å; L148-A151 PolarHBondContact O-N 2.98Å; L148-F152 WeakPolarHBondContact O-CB 3.47Å; L148-F152 PolarHBondContact O-N 2.97Å; L148-F216 HydrophobicContact CB-CE1 4.46Å; L148-F216 HydrophobicContact CD2-CE1 4.15Å; L148-F216 WeakPolarHBondContact O-CE1 3.39Å; L148-I217 HydrophobicContact CB-CG1 4.17Å; L148-I217 HydrophobicContact CD1-CG2 4.4Å; L148-C220 HydrophobicContact CD1-CB 4.05Å; L148-C220 HydrophobicContact CD2-CB 3.76Å
149	N	84.1	Confident	78.9	Confident	55 Å²	55	43.1 Å²	43.1	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-64.3	-41.3	173.2	-75.6	-36.6	0	0	0	111.6	N145 D146 R147 F152 N153 I213 I217	N145-N149 WeakPolarHBondContact O-CB 2.89Å; N145-N149 VanDerWaalsContact O-CG 3.25Å; N145-N149 PolarHBondContact O-N 3.46Å; N145-N149 PolarHBondContact O-ND2 2.99Å; N145-N149 VanDerWaalsContact O-ND2 3.12Å; D146-N149 PolarHBondContact O-N 3.06Å; R147-N149 VanDerWaalsContact C-N 3.33Å; R147-N149 PolarHBondContact O-N 2.95Å; N149-F152 PolarHBondContact O-N 3.42Å; N149-N153 PolarHBondContact O-N 3.42Å; N149-I213 WeakPolarHBondContact OD1-CD1 3.27Å; N149-I217 WeakPolarHBondContact OD1-CD1 3.38Å
150	W	79.2	Confident	79.9	Confident	16 Å²	16	46.9 Å²	46.9	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-41.9	177.1	-172.9	87.3	0	0	0	111.6	L115 A118 F119 I138 I139 D146 R147 L148 N153 L154 I237	L115-W150 HydrophobicContact CD1-CH2 3.54Å; L115-W150 HydrophobicContact CD1-CZ2 3.95Å; A118-W150 HydrophobicContact CB-CZ2 4.32Å; F119-W150 HydrophobicContact CD2-CZ2 4.4Å; F119-W150 HydrophobicContact CE2-CH2 4.5Å; F119-W150 AromaticContact CE2-CZ2 3.91Å; F119-W150 HydrophobicContact CE2-CZ2 3.91Å; F119-W150 AromaticContact CZ-CZ2 4Å; F119-W150 HydrophobicContact CZ-CZ2 4Å; I138-W150 HydrophobicContact CG2-CB 3.93Å; I138-W150 HydrophobicContact CG2-CG 4.38Å; I139-W150 HydrophobicContact CD1-CD2 4.31Å; I139-W150 HydrophobicContact CD1-CE3 4.48Å; I139-W150 HydrophobicContact CD1-CH2 3.93Å; I139-W150 HydrophobicContact CD1-CZ2 3.73Å; I139-W150 HydrophobicContact CD1-CZ3 4.32Å; I139-W150 HydrophobicContact CG1-CD2 4.12Å; I139-W150 HydrophobicContact CG1-CE3 4.23Å; I139-W150 HydrophobicContact CG1-CZ2 4.43Å; I139-W150 HydrophobicContact CG1-CZ3 4.44Å; D146-W150 WeakPolarHBondContact O-CB 3.25Å; D146-W150 PolarHBondContact O-N 2.96Å; R147-W150 PolarHBondContact O-N 3.44Å; R147-W150 VanDerWaalsContact O-N 3.12Å; L148-W150 VanDerWaalsContact C-N 3.35Å; W150-N153 WeakPolarHBondContact O-CB 3.49Å; W150-N153 PolarHBondContact O-N 3.13Å; W150-L154 HydrophobicContact CZ3-CD2 4.37Å; W150-L154 PolarHBondContact O-N 3.1Å; W150-I237 HydrophobicContact CE3-CD1 4.35Å; W150-I237 HydrophobicContact CH2-CD1 4.04Å; W150-I237 HydrophobicContact CZ3-CD1 3.52Å
151	A	78.4	Confident	81	Confident	4 Å²	4	45 Å²	45	3%	0.033	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-44.1	172.6	0	0	0	0	0	111.5	R147 L148 N153 L154 Y155 F216	R147-A151 WeakPolarHBondContact O-CB 3.04Å; R147-A151 PolarHBondContact O-N 2.93Å; L148-A151 PolarHBondContact O-N 2.98Å; A151-N153 VanDerWaalsContact C-N 3.29Å; A151-N153 PolarHBondContact O-N 2.9Å; A151-L154 WeakPolarHBondContact O-CA 3.36Å; A151-L154 VanDerWaalsContact O-CB 3.32Å; A151-L154 WeakPolarHBondContact O-CB 3.32Å; A151-L154 PolarHBondContact O-N 3.02Å; A151-Y155 VanDerWaalsContact O-CD2 3.31Å; A151-Y155 WeakPolarHBondContact O-CD2 2.75Å; A151-Y155 PolarHBondContact O-N 3.46Å; A151-F216 HydrophobicContact CB-CE1 4.4Å; A151-F216 HydrophobicContact CB-CZ 4.42Å
152	F	82.9	Confident	82.1	Confident	3 Å²	3	42.3 Å²	42.3	1%	0.013	23%	0.23	C	C	.	.	H	α-helix	trans	-55.4	-47.3	174	-178.4	-87.3	0	0	0	111.1	L148 N149 L154 Y155 D156 G161 I163 I213 F216	L148-F152 WeakPolarHBondContact O-CB 3.47Å; L148-F152 PolarHBondContact O-N 2.97Å; N149-F152 PolarHBondContact O-N 3.42Å; F152-L154 PolarHBondContact O-N 2.83Å; F152-Y155 PolarHBondContact O-N 2.83Å; F152-D156 HydrophobicContact CD1-CB 4.34Å; F152-D156 HydrophobicContact CE1-CB 3.94Å; F152-D156 HydrophobicContact CZ-CB 4.42Å; F152-D156 WeakPolarHBondContact O-CB 2.8Å; F152-D156 PolarHBondContact O-N 3.49Å; F152-G161 WeakPolarHBondContact CZ-O 3.5Å; F152-I163 HydrophobicContact CD2-CD1 3.34Å; F152-I163 HydrophobicContact CD2-CG1 4.06Å; F152-I163 HydrophobicContact CE2-CD1 3.36Å; F152-I163 HydrophobicContact CE2-CG1 3.61Å; F152-I163 HydrophobicContact CG-CD1 4.14Å; F152-I163 HydrophobicContact CZ-CD1 4.14Å; F152-I163 HydrophobicContact CZ-CG1 3.93Å; F152-I213 HydrophobicContact CB-CG1 4.34Å; F152-I213 HydrophobicContact CD1-CB 4.25Å; F152-I213 HydrophobicContact CD1-CD1 4.01Å; F152-I213 HydrophobicContact CD1-CG1 4.09Å; F152-I213 HydrophobicContact CD2-CB 4.12Å; F152-I213 HydrophobicContact CD2-CG1 4.12Å; F152-I213 HydrophobicContact CE1-CB 4.16Å; F152-I213 HydrophobicContact CE2-CB 4.02Å; F152-I213 HydrophobicContact CG-CB 4.24Å; F152-I213 HydrophobicContact CG-CD1 4.22Å; F152-I213 HydrophobicContact CG-CG1 3.9Å; F152-I213 HydrophobicContact CZ-CB 4.05Å; F152-F216 HydrophobicContact CB-CD1 4.05Å; F152-F216 HydrophobicContact CB-CE1 4.24Å; F152-F216 HydrophobicContact CD2-CB 3.77Å; F152-F216 HydrophobicContact CD2-CD1 4.1Å; F152-F216 HydrophobicContact CD2-CD2 4.42Å; F152-F216 AromaticContact CD2-CG 3.85Å; F152-F216 HydrophobicContact CD2-CG 3.85Å; F152-F216 HydrophobicContact CE2-CB 4.25Å
153	N	83.1	Confident	83.1	Confident	76 Å²	76	41.9 Å²	41.9	41%	0.406	23%	0.225	S	C	.	.	H	α-helix	trans	-62	-26	175.2	-78.8	-12.1	0	0	0	113.1	N149 W150 A151 K159	N149-N153 PolarHBondContact O-N 3.42Å; W150-N153 WeakPolarHBondContact O-CB 3.49Å; W150-N153 PolarHBondContact O-N 3.13Å; A151-N153 VanDerWaalsContact C-N 3.29Å; A151-N153 PolarHBondContact O-N 2.9Å; N153-K159 PolarHBondContact O-NZ 3.3Å
154	L	81.9	Confident	83.6	Confident	10 Å²	10	40.3 Å²	40.3	5%	0.052	22%	0.215	C	C	.	.	H	α-helix	trans	-73.6	-36.9	173.5	-178.4	65.8	0	0	0	111.5	F114 L115 A118 W150 A151 F152 I171	F114-L154 HydrophobicContact CB-CD1 4.27Å; L115-L154 HydrophobicContact CD1-CD1 4.31Å; A118-L154 HydrophobicContact CB-CB 4.47Å; A118-L154 HydrophobicContact CB-CD1 3.9Å; W150-L154 HydrophobicContact CZ3-CD2 4.37Å; W150-L154 PolarHBondContact O-N 3.1Å; A151-L154 WeakPolarHBondContact O-CA 3.36Å; A151-L154 VanDerWaalsContact O-CB 3.32Å; A151-L154 WeakPolarHBondContact O-CB 3.32Å; A151-L154 PolarHBondContact O-N 3.02Å; F152-L154 PolarHBondContact O-N 2.83Å; L154-I171 WeakPolarHBondContact O-CD1 3.43Å
155	Y	81.3	Confident	84.1	Confident	12 Å²	12	39.3 Å²	39.3	5%	0.047	21%	0.208	C	C	.	.	H	α-helix	trans	-79.5	-34	-179.7	-81.9	-85.5	0	0	0	114	A151 F152 L157 I163 M168 I171 M230	A151-Y155 VanDerWaalsContact O-CD2 3.31Å; A151-Y155 WeakPolarHBondContact O-CD2 2.75Å; A151-Y155 PolarHBondContact O-N 3.46Å; F152-Y155 PolarHBondContact O-N 2.83Å; Y155-L157 PolarHBondContact O-N 3.5Å; Y155-L157 VanDerWaalsContact O-N 3.15Å; Y155-I163 HydrophobicContact CG-CD1 4.45Å; Y155-M168 HydrophobicContact CD1-CG 4.38Å; Y155-M168 HydrophobicContact CE1-CG 4.35Å; Y155-I171 HydrophobicContact CD1-CB 4.1Å; Y155-I171 HydrophobicContact CD1-CG1 4.05Å; Y155-I171 HydrophobicContact CD1-CG2 4.01Å; Y155-I171 HydrophobicContact CE1-CB 4.05Å; Y155-I171 HydrophobicContact CE1-CG1 4.48Å; Y155-I171 HydrophobicContact CE1-CG2 3.59Å; Y155-M230 HydrophobicContact CE2-CE 4.43Å; Y155-M230 HydrophobicContact CE2-SD 3.79Å; Y155-M230 WeakPolarHBondContact OH-CE 3.2Å
156	D	86.4	Confident	84.5	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	23%	0.225	C	C	.	.			trans	-75.8	94.4	173.7	177.1	2.4	0	0	0	108.8	F152 N158 K159 D160 G161 I163	F152-D156 HydrophobicContact CD1-CB 4.34Å; F152-D156 HydrophobicContact CE1-CB 3.94Å; F152-D156 HydrophobicContact CZ-CB 4.42Å; F152-D156 WeakPolarHBondContact O-CB 2.8Å; F152-D156 PolarHBondContact O-N 3.49Å; D156-N158 PolarHBondContact OD1-OD1 2.81Å; D156-N158 VanDerWaalsContact OD1-OD1 3.08Å; D156-K159 VanDerWaalsContact O-CD 3.31Å; D156-K159 WeakPolarHBondContact O-CD 3.08Å; D156-K159 WeakPolarHBondContact O-CE 3.48Å; D156-K159 PolarHBondContact O-NZ 3.08Å; D156-K159 WeakPolarHBondContact OD1-CA 3.47Å; D156-K159 PolarHBondContact OD1-N 2.76Å; D156-K159 VanDerWaalsContact OD2-CA 3.31Å; D156-K159 WeakPolarHBondContact OD2-CA 3.15Å; D156-D160 PolarHBondContact OD1-N 3.29Å; D156-D160 PolarHBondContact OD2-N 2.99Å; D156-G161 WeakPolarHBondContact OD2-CA 3.24Å; D156-G161 PolarHBondContact OD2-N 2.97Å; D156-I163 HydrophobicContact CB-CG1 4.12Å
157	L	85.2	Confident	84.9	Confident	29 Å²	29	41.2 Å²	41.2	15%	0.152	21%	0.213	C	C	.	.	S	Bend	trans	-74.5	-42.5	-175.1	-65	-178.3	0	0	0	111.1	F114 Y155 K159 E167 D170 I171	F114-L157 HydrophobicContact CB-CD2 4.25Å; F114-L157 HydrophobicContact CD1-CD1 4.42Å; F114-L157 HydrophobicContact CD1-CD2 3.33Å; F114-L157 HydrophobicContact CD1-CG 4.48Å; F114-L157 HydrophobicContact CD2-CD2 4.31Å; F114-L157 HydrophobicContact CE1-CD1 3.78Å; F114-L157 HydrophobicContact CE1-CD2 3.57Å; F114-L157 HydrophobicContact CE1-CG 4.29Å; F114-L157 HydrophobicContact CE2-CD1 4.46Å; F114-L157 HydrophobicContact CE2-CD2 4.46Å; F114-L157 HydrophobicContact CG-CD2 3.74Å; F114-L157 HydrophobicContact CZ-CD1 3.78Å; F114-L157 HydrophobicContact CZ-CD2 4.12Å; Y155-L157 PolarHBondContact O-N 3.5Å; Y155-L157 VanDerWaalsContact O-N 3.15Å; L157-K159 VanDerWaalsContact C-N 3.33Å; L157-K159 PolarHBondContact O-N 3.5Å; L157-E167 HydrophobicContact CB-CG 4.06Å; L157-E167 HydrophobicContact CD1-CB 4.19Å; L157-E167 HydrophobicContact CD1-CG 4.2Å; L157-E167 HydrophobicContact CG-CB 4.17Å; L157-E167 HydrophobicContact CG-CG 4.19Å; L157-E167 PolarHBondContact N-OE1 2.96Å; L157-D170 HydrophobicContact CD1-CB 4.02Å; L157-I171 HydrophobicContact CD2-CD1 3.64Å; L157-I171 HydrophobicContact CD2-CG1 4.28Å; L157-I171 HydrophobicContact CG-CD1 4.45Å
158	N	86.2	Confident	85.3	Confident	87 Å²	87	37.7 Å²	37.7	47%	0.465	20%	0.2	S	C	.	.	S	Bend	trans	-81.8	-10.9	-175.9	75	17	0	0	0	113.5	D156 D160 E167	D156-N158 PolarHBondContact OD1-OD1 2.81Å; D156-N158 VanDerWaalsContact OD1-OD1 3.08Å; N158-D160 VanDerWaalsContact C-N 3.34Å; N158-D160 PolarHBondContact ND2-OD2 3.35Å; N158-D160 WeakPolarHBondContact OD1-CB 3.41Å; N158-D160 PolarHBondContact OD1-N 2.9Å; N158-D160 PolarHBondContact OD1-OD1 2.72Å; N158-D160 PolarHBondContact OD1-OD2 3.31Å; N158-E167 PolarHBondContact N-OE1 3.38Å; N158-E167 VanDerWaalsContact N-OE1 3.08Å; N158-E167 PolarHBondContact ND2-OE1 2.72Å
159	K	85.8	Confident	85.5	Confident	59 Å²	59	40 Å²	40	26%	0.257	21%	0.212	S	C	.	.			trans	62.6	33.1	-177.8	-47.8	-60.9	177.6	-142.9	0	113.6	N153 D156 L157 G161	N153-K159 PolarHBondContact O-NZ 3.3Å; D156-K159 VanDerWaalsContact O-CD 3.31Å; D156-K159 WeakPolarHBondContact O-CD 3.08Å; D156-K159 WeakPolarHBondContact O-CE 3.48Å; D156-K159 PolarHBondContact O-NZ 3.08Å; D156-K159 WeakPolarHBondContact OD1-CA 3.47Å; D156-K159 PolarHBondContact OD1-N 2.76Å; D156-K159 VanDerWaalsContact OD2-CA 3.31Å; D156-K159 WeakPolarHBondContact OD2-CA 3.15Å; L157-K159 VanDerWaalsContact C-N 3.33Å; L157-K159 PolarHBondContact O-N 3.5Å; K159-G161 VanDerWaalsContact C-N 3.29Å
160	D	88.3	Confident	85.5	Confident	94 Å²	94	40.9 Å²	40.9	50%	0.503	22%	0.217	S	C	.	.	S	Bend	trans	-85	-4.2	177.7	74	11.5	0	0	0	113.2	D156 N158 C162	D156-D160 PolarHBondContact OD1-N 3.29Å; D156-D160 PolarHBondContact OD2-N 2.99Å; N158-D160 VanDerWaalsContact C-N 3.34Å; N158-D160 PolarHBondContact ND2-OD2 3.35Å; N158-D160 WeakPolarHBondContact OD1-CB 3.41Å; N158-D160 PolarHBondContact OD1-N 2.9Å; N158-D160 PolarHBondContact OD1-OD1 2.72Å; N158-D160 PolarHBondContact OD1-OD2 3.31Å; D160-C162 WeakPolarHBondContact OD1-CA 3.35Å; D160-C162 VanDerWaalsContact OD1-CB 3.31Å; D160-C162 WeakPolarHBondContact OD1-CB 3.38Å; D160-C162 PolarHBondContact OD1-N 2.72Å
161	G	88.7	Confident	85.4	Confident	34 Å²	34	40.2 Å²	40.2	35%	0.351	21%	0.214	S	C	.	.	S	Bend	trans	86.9	8.8	-179.7	0	0	0	0	0	113.8	F152 D156 K159	F152-G161 WeakPolarHBondContact CZ-O 3.5Å; D156-G161 WeakPolarHBondContact OD2-CA 3.24Å; D156-G161 PolarHBondContact OD2-N 2.97Å; K159-G161 VanDerWaalsContact C-N 3.29Å
162	C	91.6	Very high	85.3	Confident	32 Å²	32	40.8 Å²	40.8	22%	0.216	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	135.9	179.5	-69.6	0	0	0	0	110.1	D160 V210	D160-C162 WeakPolarHBondContact OD1-CA 3.35Å; D160-C162 VanDerWaalsContact OD1-CB 3.31Å; D160-C162 WeakPolarHBondContact OD1-CB 3.38Å; D160-C162 PolarHBondContact OD1-N 2.72Å; C162-V210 HydrophobicContact CB-CB 4.06Å; C162-V210 HydrophobicContact CB-CG1 4.4Å; C162-V210 HydrophobicContact CB-CG2 4.41Å
163	I	89.5	Confident	85	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	118.3	173.4	-60.9	161.9	0	0	0	108.5	F152 Y155 D156 M168 F200 V211 F216	F152-I163 HydrophobicContact CD2-CD1 3.34Å; F152-I163 HydrophobicContact CD2-CG1 4.06Å; F152-I163 HydrophobicContact CE2-CD1 3.36Å; F152-I163 HydrophobicContact CE2-CG1 3.61Å; F152-I163 HydrophobicContact CG-CD1 4.14Å; F152-I163 HydrophobicContact CZ-CD1 4.14Å; F152-I163 HydrophobicContact CZ-CG1 3.93Å; Y155-I163 HydrophobicContact CG-CD1 4.45Å; D156-I163 HydrophobicContact CB-CG1 4.12Å; I163-M168 HydrophobicContact CG2-CB 4.3Å; I163-M168 HydrophobicContact CG2-CE 4.02Å; I163-F200 WeakPolarHBondContact O-CE2 3.48Å; I163-V211 HydrophobicContact CB-CB 4.31Å; I163-V211 PolarHBondContact N-O 3.2Å; I163-V211 PolarHBondContact O-N 3.47Å; I163-F216 HydrophobicContact CD1-CD2 4.15Å; I163-F216 HydrophobicContact CD1-CE2 4.48Å
164	T	91.2	Very high	84.6	Confident	33 Å²	33	42.8 Å²	42.8	20%	0.202	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	159.4	170.8	66.3	0	0	0	0	111.1	E166 E167 M168 V210	T164-E166 PolarHBondContact O-N 2.71Å; T164-E167 WeakPolarHBondContact CB-OE2 3.22Å; T164-E167 PolarHBondContact N-OE2 3.34Å; T164-E167 PolarHBondContact O-N 3.46Å; T164-E167 VanDerWaalsContact OG1-CD 3.31Å; T164-E167 VanDerWaalsContact OG1-CG 3.25Å; T164-E167 WeakPolarHBondContact OG1-CG 3.42Å; T164-E167 PolarHBondContact OG1-N 3.28Å; T164-E167 PolarHBondContact OG1-OE2 3.08Å; T164-M168 PolarHBondContact O-N 3.37Å; T164-M168 VanDerWaalsContact O-N 3.11Å; T164-V210 HydrophobicContact CG2-CG1 4.33Å
165	K	87.6	Confident	84.1	Confident	68 Å²	68	43.1 Å²	43.1	30%	0.296	22%	0.224	S	C	.	.	H	α-helix	trans	-61.8	-30.7	175.7	-177.3	179.7	163.5	-167.6	0	112.6	L169 V196 E197 F200	K165-L169 WeakPolarHBondContact O-CB 3.31Å; K165-L169 PolarHBondContact O-N 3.33Å; K165-L169 VanDerWaalsContact O-N 3.09Å; K165-V196 HydrophobicContact CG-CG1 4.15Å; K165-E197 WeakPolarHBondContact CE-OE2 2.95Å; K165-E197 IonicContact NZ-OE2 2.67Å; K165-E197 PolarHBondContact NZ-OE2 3.13Å; K165-F200 HydrophobicContact CB-CD1 4.47Å; K165-F200 HydrophobicContact CB-CD2 3.88Å; K165-F200 HydrophobicContact CB-CE1 4.43Å; K165-F200 HydrophobicContact CB-CE2 3.84Å; K165-F200 HydrophobicContact CB-CG 4.21Å; K165-F200 HydrophobicContact CB-CZ 4.12Å; K165-F200 HydrophobicContact CG-CD2 4.35Å; K165-F200 HydrophobicContact CG-CG 4.39Å
166	E	88.8	Confident	83.4	Confident	154 Å²	154	45.1 Å²	45.1	72%	0.72	23%	0.232	S	C	*	.	H	α-helix	trans	-67.3	-47.4	178.3	-67.8	171.5	-178.2	0	0	110.3	T164 M168 L169 D170	T164-E166 PolarHBondContact O-N 2.71Å; E166-M168 PolarHBondContact O-N 2.77Å; E166-L169 WeakPolarHBondContact O-CB 3.44Å; E166-L169 PolarHBondContact O-N 3.05Å; E166-L169 VanDerWaalsContact O-N 3.11Å; E166-D170 PolarHBondContact O-N 3.14Å
167	E	88.1	Confident	82.7	Confident	13 Å²	13	48.4 Å²	48.4	6%	0.061	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-42.1	177.1	-68.7	165.9	131.7	0	0	112.3	L157 N158 T164 L169 D170 I171	L157-E167 HydrophobicContact CB-CG 4.06Å; L157-E167 HydrophobicContact CD1-CB 4.19Å; L157-E167 HydrophobicContact CD1-CG 4.2Å; L157-E167 HydrophobicContact CG-CB 4.17Å; L157-E167 HydrophobicContact CG-CG 4.19Å; L157-E167 PolarHBondContact N-OE1 2.96Å; N158-E167 PolarHBondContact N-OE1 3.38Å; N158-E167 VanDerWaalsContact N-OE1 3.08Å; N158-E167 PolarHBondContact ND2-OE1 2.72Å; T164-E167 WeakPolarHBondContact CB-OE2 3.22Å; T164-E167 PolarHBondContact N-OE2 3.34Å; T164-E167 PolarHBondContact O-N 3.46Å; T164-E167 VanDerWaalsContact OG1-CD 3.31Å; T164-E167 VanDerWaalsContact OG1-CG 3.25Å; T164-E167 WeakPolarHBondContact OG1-CG 3.42Å; T164-E167 PolarHBondContact OG1-N 3.28Å; T164-E167 PolarHBondContact OG1-OE2 3.08Å; E167-L169 VanDerWaalsContact C-N 3.26Å; E167-L169 PolarHBondContact O-N 3.17Å; E167-D170 PolarHBondContact O-N 3Å; E167-I171 PolarHBondContact O-N 3.39Å
168	M	83.8	Confident	81.7	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-37.8	175.2	-169.5	175.4	-69.8	0	0	112.3	Y155 I163 T164 E166 M172 V196 F199 F200 M203	Y155-M168 HydrophobicContact CD1-CG 4.38Å; Y155-M168 HydrophobicContact CE1-CG 4.35Å; I163-M168 HydrophobicContact CG2-CB 4.3Å; I163-M168 HydrophobicContact CG2-CE 4.02Å; T164-M168 PolarHBondContact O-N 3.37Å; T164-M168 VanDerWaalsContact O-N 3.11Å; E166-M168 PolarHBondContact O-N 2.77Å; M168-M172 VanDerWaalsContact O-CB 3.32Å; M168-M172 WeakPolarHBondContact O-CB 3.47Å; M168-M172 PolarHBondContact O-N 2.78Å; M168-V196 HydrophobicContact CB-CG1 4.1Å; M168-V196 HydrophobicContact CG-CG1 3.94Å; M168-V196 HydrophobicContact CG-CG2 4.36Å; M168-V196 HydrophobicContact SD-CG1 4Å; M168-F199 HydrophobicContact CE-CD1 4.26Å; M168-F199 HydrophobicContact SD-CD1 3.9Å; M168-F200 HydrophobicContact CE-CD2 3.94Å; M168-F200 HydrophobicContact SD-CB 4.33Å; M168-F200 HydrophobicContact SD-CD2 4.09Å; M168-M203 HydrophobicContact CE-CE 3.19Å; M168-M203 HydrophobicContact SD-CE 4.23Å
169	L	83.2	Confident	80.5	Confident	52 Å²	52	47.7 Å²	47.7	27%	0.272	24%	0.243	S	C	.	.	H	α-helix	trans	-69	-39.7	177	-172.2	145.6	0	0	0	111.5	K165 E166 E167 M172 K173 R193 V196	K165-L169 WeakPolarHBondContact O-CB 3.31Å; K165-L169 PolarHBondContact O-N 3.33Å; K165-L169 VanDerWaalsContact O-N 3.09Å; E166-L169 WeakPolarHBondContact O-CB 3.44Å; E166-L169 PolarHBondContact O-N 3.05Å; E166-L169 VanDerWaalsContact O-N 3.11Å; E167-L169 VanDerWaalsContact C-N 3.26Å; E167-L169 PolarHBondContact O-N 3.17Å; L169-M172 PolarHBondContact O-N 3.37Å; L169-K173 VanDerWaalsContact O-CB 3.24Å; L169-K173 WeakPolarHBondContact O-CB 3.18Å; L169-K173 PolarHBondContact O-N 3.13Å; L169-R193 HydrophobicContact CD1-CG 4.25Å; L169-V196 HydrophobicContact CB-CG1 4.41Å
170	D	84.6	Confident	79.3	Confident	74 Å²	74	45.8 Å²	45.8	40%	0.396	24%	0.241	S	C	.	.	H	α-helix	trans	-65.5	-42.2	178.2	-75.8	-23.3	0	0	0	112.4	L157 E166 E167 S174	L157-D170 HydrophobicContact CD1-CB 4.02Å; E166-D170 PolarHBondContact O-N 3.14Å; E167-D170 PolarHBondContact O-N 3Å; D170-S174 WeakPolarHBondContact O-CB 3.18Å; D170-S174 PolarHBondContact O-N 3.3Å; D170-S174 PolarHBondContact O-OG 2.95Å
171	I	77.6	Confident	77.5	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-51.3	171.5	-67.5	-61.7	0	0	0	110.4	F114 L154 Y155 L157 E167 K173 S174 I175	F114-I171 HydrophobicContact CB-CD1 3.96Å; F114-I171 HydrophobicContact CD2-CD1 3.44Å; F114-I171 VanDerWaalsContact CD2-CD1 3.44Å; F114-I171 HydrophobicContact CE2-CD1 3.97Å; F114-I171 HydrophobicContact CG-CD1 3.8Å; L154-I171 WeakPolarHBondContact O-CD1 3.43Å; Y155-I171 HydrophobicContact CD1-CB 4.1Å; Y155-I171 HydrophobicContact CD1-CG1 4.05Å; Y155-I171 HydrophobicContact CD1-CG2 4.01Å; Y155-I171 HydrophobicContact CE1-CB 4.05Å; Y155-I171 HydrophobicContact CE1-CG1 4.48Å; Y155-I171 HydrophobicContact CE1-CG2 3.59Å; L157-I171 HydrophobicContact CD2-CD1 3.64Å; L157-I171 HydrophobicContact CD2-CG1 4.28Å; L157-I171 HydrophobicContact CG-CD1 4.45Å; E167-I171 PolarHBondContact O-N 3.39Å; I171-K173 VanDerWaalsContact C-N 3.32Å; I171-K173 PolarHBondContact O-N 3.38Å; I171-S174 WeakPolarHBondContact O-CB 3.36Å; I171-S174 PolarHBondContact O-N 3.47Å; I171-S174 VanDerWaalsContact O-N 3.15Å; I171-I175 HydrophobicContact CG2-CD1 3.92Å; I171-I175 WeakPolarHBondContact O-CG1 3.44Å; I171-I175 PolarHBondContact O-N 2.88Å
172	M	74.7	Confident	75.5	Confident	16 Å²	16	57.1 Å²	57.1	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-45.3	-176.7	-166.9	74.7	179.1	0	0	111.1	M168 L169 S174 I175 Y176 V196 F233	M168-M172 VanDerWaalsContact O-CB 3.32Å; M168-M172 WeakPolarHBondContact O-CB 3.47Å; M168-M172 PolarHBondContact O-N 2.78Å; L169-M172 PolarHBondContact O-N 3.37Å; M172-S174 VanDerWaalsContact C-N 3.33Å; M172-S174 PolarHBondContact O-N 3.1Å; M172-I175 WeakPolarHBondContact O-CB 3.03Å; M172-I175 PolarHBondContact O-N 3.44Å; M172-Y176 HydrophobicContact CE-CE2 3.5Å; M172-Y176 WeakPolarHBondContact CE-OH 3.46Å; M172-Y176 HydrophobicContact CG-CD2 3.94Å; M172-Y176 HydrophobicContact CG-CE2 3.52Å; M172-Y176 WeakPolarHBondContact O-CD2 3.3Å; M172-Y176 PolarHBondContact O-N 3.31Å; M172-Y176 HydrophobicContact SD-CE2 4.22Å; M172-V196 HydrophobicContact CB-CG2 3.88Å; M172-V196 HydrophobicContact CG-CG2 4.02Å; M172-F233 HydrophobicContact CE-CZ 4.31Å; M172-F233 HydrophobicContact SD-CZ 4.28Å
173	K	77.6	Confident	73.3	Confident	116 Å²	116	57.2 Å²	57.2	50%	0.504	27%	0.272	S	S	.	.	H	α-helix	trans	-60.9	-42	177	-172.4	-179.2	177.1	-172.9	0	111.9	L169 I171 I175 Y176 D177	L169-K173 VanDerWaalsContact O-CB 3.24Å; L169-K173 WeakPolarHBondContact O-CB 3.18Å; L169-K173 PolarHBondContact O-N 3.13Å; I171-K173 VanDerWaalsContact C-N 3.32Å; I171-K173 PolarHBondContact O-N 3.38Å; K173-I175 VanDerWaalsContact C-N 3.27Å; K173-I175 PolarHBondContact O-N 3.48Å; K173-Y176 WeakPolarHBondContact O-CB 3.46Å; K173-Y176 PolarHBondContact O-N 3.39Å; K173-Y176 VanDerWaalsContact O-N 3.1Å; K173-D177 PolarHBondContact O-N 3.24Å
174	S	75.4	Confident	70.6	Confident	6 Å²	6	66.6 Å²	66.6	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-34.3	177.8	-59.7	0	0	0	0	112.5	M110 F114 D170 I171 M172 M178	M110-S174 WeakPolarHBondContact CB-OG 3.48Å; F114-S174 VanDerWaalsContact CE2-OG 3.3Å; F114-S174 WeakPolarHBondContact CE2-OG 3.17Å; D170-S174 WeakPolarHBondContact O-CB 3.18Å; D170-S174 PolarHBondContact O-N 3.3Å; D170-S174 PolarHBondContact O-OG 2.95Å; I171-S174 WeakPolarHBondContact O-CB 3.36Å; I171-S174 PolarHBondContact O-N 3.47Å; I171-S174 VanDerWaalsContact O-N 3.15Å; M172-S174 VanDerWaalsContact C-N 3.33Å; M172-S174 PolarHBondContact O-N 3.1Å; S174-M178 VanDerWaalsContact O-CB 3.31Å; S174-M178 WeakPolarHBondContact O-CB 3.36Å; S174-M178 PolarHBondContact O-N 3.43Å
175	I	69.6	Low	68.2	Low	16 Å²	16	68.8 Å²	68.8	8%	0.082	32%	0.324	C	S	.	.	H	α-helix	trans	-67.3	-43.6	172.4	-64.5	165.5	0	0	0	110.6	Y111 I171 M172 K173 M178 M179 F233	Y111-I175 HydrophobicContact CD2-CD1 4.48Å; Y111-I175 HydrophobicContact CD2-CG1 3.61Å; Y111-I175 HydrophobicContact CE2-CD1 4Å; Y111-I175 HydrophobicContact CE2-CG1 3.53Å; I171-I175 HydrophobicContact CG2-CD1 3.92Å; I171-I175 WeakPolarHBondContact O-CG1 3.44Å; I171-I175 PolarHBondContact O-N 2.88Å; M172-I175 WeakPolarHBondContact O-CB 3.03Å; M172-I175 PolarHBondContact O-N 3.44Å; K173-I175 VanDerWaalsContact C-N 3.27Å; K173-I175 PolarHBondContact O-N 3.48Å; I175-M178 HydrophobicContact CG2-CE 4.42Å; I175-M178 WeakPolarHBondContact O-CB 3.5Å; I175-M178 PolarHBondContact O-N 3.3Å; I175-M179 HydrophobicContact CG2-CG 4.5Å; I175-M179 HydrophobicContact CG2-SD 4.1Å; I175-M179 WeakPolarHBondContact O-CG 3.28Å; I175-M179 PolarHBondContact O-N 2.75Å; I175-F233 HydrophobicContact CD1-CD1 4.12Å; I175-F233 HydrophobicContact CD1-CE1 4.41Å
176	Y	67.3	Low	65.9	Low	55 Å²	55	70.4 Å²	70.4	22%	0.216	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-44.8	176.2	-80.1	-71	0	0	0	112.3	M172 K173 M178 M179 G180 T183 P192	M172-Y176 HydrophobicContact CE-CE2 3.5Å; M172-Y176 WeakPolarHBondContact CE-OH 3.46Å; M172-Y176 HydrophobicContact CG-CD2 3.94Å; M172-Y176 HydrophobicContact CG-CE2 3.52Å; M172-Y176 WeakPolarHBondContact O-CD2 3.3Å; M172-Y176 PolarHBondContact O-N 3.31Å; M172-Y176 HydrophobicContact SD-CE2 4.22Å; K173-Y176 WeakPolarHBondContact O-CB 3.46Å; K173-Y176 PolarHBondContact O-N 3.39Å; K173-Y176 VanDerWaalsContact O-N 3.1Å; Y176-M178 VanDerWaalsContact C-N 3.31Å; Y176-M178 PolarHBondContact O-N 3.22Å; Y176-M179 PolarHBondContact O-N 2.84Å; Y176-G180 PolarHBondContact O-N 2.95Å; Y176-G180 VanDerWaalsContact O-N 3.07Å; Y176-T183 HydrophobicContact CD1-CG2 4.13Å; Y176-T183 HydrophobicContact CE1-CG2 4.39Å; Y176-P192 HydrophobicContact CD2-CB 4Å; Y176-P192 HydrophobicContact CD2-CG 3.89Å; Y176-P192 HydrophobicContact CE2-CB 3.58Å; Y176-P192 HydrophobicContact CE2-CG 3.62Å
177	D	71.9	Confident	63.8	Low	72 Å²	72	68.3 Å²	68.3	39%	0.385	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-39.4	177.6	-70.9	-22.5	0	0	0	111.1	G106 D107 K173 G180	G106-D177 WeakPolarHBondContact CA-O 3.47Å; D107-D177 PolarHBondContact N-O 2.88Å; D107-D177 CarbonylContact O-C 3.58Å; K173-D177 PolarHBondContact O-N 3.24Å; D177-G180 PolarHBondContact O-N 3.4Å
178	M	65.3	Low	61.5	Low	11 Å²	11	75.4 Å²	75.4	5%	0.054	37%	0.366	C	S	.	.	H	α-helix	trans	-64	-40.4	174.5	178.9	180	67.4	0	0	112.8	Y99 F103 D107 Y111 S174 I175 Y176 G180	Y99-M178 HydrophobicContact CD1-SD 4.43Å; Y99-M178 HydrophobicContact CE1-SD 4.01Å; F103-M178 HydrophobicContact CB-CG 4.31Å; F103-M178 HydrophobicContact CD1-CG 3.97Å; F103-M178 HydrophobicContact CD2-CG 4.07Å; F103-M178 HydrophobicContact CD2-SD 4.07Å; F103-M178 HydrophobicContact CE1-CG 4.3Å; F103-M178 HydrophobicContact CE1-SD 4.39Å; F103-M178 HydrophobicContact CE2-CG 4.4Å; F103-M178 HydrophobicContact CE2-SD 3.89Å; F103-M178 HydrophobicContact CG-CG 3.84Å; F103-M178 HydrophobicContact CG-SD 4.4Å; F103-M178 HydrophobicContact CZ-CE 4.48Å; F103-M178 HydrophobicContact CZ-SD 4.06Å; D107-M178 WeakPolarHBondContact O-CA 3.34Å; D107-M178 PolarHBondContact O-N 2.69Å; Y111-M178 HydrophobicContact CD1-CE 4.04Å; Y111-M178 HydrophobicContact CD1-SD 3.61Å; Y111-M178 HydrophobicContact CE1-CE 4.24Å; Y111-M178 HydrophobicContact CE1-SD 4.25Å; Y111-M178 HydrophobicContact CG-CE 4.36Å; Y111-M178 HydrophobicContact CG-SD 4.09Å; S174-M178 VanDerWaalsContact O-CB 3.31Å; S174-M178 WeakPolarHBondContact O-CB 3.36Å; S174-M178 PolarHBondContact O-N 3.43Å; I175-M178 HydrophobicContact CG2-CE 4.42Å; I175-M178 WeakPolarHBondContact O-CB 3.5Å; I175-M178 PolarHBondContact O-N 3.3Å; Y176-M178 VanDerWaalsContact C-N 3.31Å; Y176-M178 PolarHBondContact O-N 3.22Å; M178-G180 VanDerWaalsContact C-N 3.33Å
179	M	60.1	Low	59.9	Low	90 Å²	90	83 Å²	83	44%	0.443	41%	0.407	S	S	.	.	H	α-helix	trans	-77.5	-18.2	-179.4	-68.1	-176.3	72.1	0	0	113.3	I175 Y176 T183	I175-M179 HydrophobicContact CG2-CG 4.5Å; I175-M179 HydrophobicContact CG2-SD 4.1Å; I175-M179 WeakPolarHBondContact O-CG 3.28Å; I175-M179 PolarHBondContact O-N 2.75Å; Y176-M179 PolarHBondContact O-N 2.84Å; M179-T183 HydrophobicContact CB-CG2 3.94Å; M179-T183 HydrophobicContact CE-CG2 4.16Å; M179-T183 HydrophobicContact SD-CG2 4.28Å
180	G	61.3	Low	58.4	Low	20 Å²	20	85.6 Å²	85.6	21%	0.206	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	61.6	-157	177.5	0	0	0	0	0	113.8	Y176 D177 M178 Y182	Y176-G180 PolarHBondContact O-N 2.95Å; Y176-G180 VanDerWaalsContact O-N 3.07Å; D177-G180 PolarHBondContact O-N 3.4Å; M178-G180 VanDerWaalsContact C-N 3.33Å; G180-Y182 PolarHBondContact O-N 3.39Å
181	K	49.5	Very low	57.1	Low	198 Å²	198	83.1 Å²	83.1	86%	0.861	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-70.9	8.3	-172.9	-67.6	-173.9	179.2	179.3	0	115.9
182	Y	47.9	Very low	56.2	Low	167 Å²	167	84.5 Å²	84.5	66%	0.655	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-103.2	9.4	-177.9	-69.4	-81.8	0	0	0	114	G180 Y184	G180-Y182 PolarHBondContact O-N 3.39Å; Y182-Y184 PolarHBondContact O-N 3.38Å
183	T	43.5	Very low	55.9	Low	34 Å²	34	91.2 Å²	91.2	21%	0.209	44%	0.444	C	S	.	.			trans	-66	100.4	160.8	49.6	0	0	0	0	107.8	Y176 M179 P185 T186	Y176-T183 HydrophobicContact CD1-CG2 4.13Å; Y176-T183 HydrophobicContact CE1-CG2 4.39Å; M179-T183 HydrophobicContact CB-CG2 3.94Å; M179-T183 HydrophobicContact CE-CG2 4.16Å; M179-T183 HydrophobicContact SD-CG2 4.28Å; T183-P185 CarbonylContact C-O 3.31Å; T183-P185 CarbonylContact O-C 3.55Å; T183-P185 VanDerWaalsContact O-O 3.05Å; T183-T186 WeakPolarHBondContact O-CA 3.47Å; T183-T186 PolarHBondContact O-N 3.18Å; T183-T186 VanDerWaalsContact O-N 3.16Å
184	Y	34.1	Very low	55.6	Low	198 Å²	198	92.5 Å²	92.5	78%	0.776	45%	0.452	S	S	*	.	S	Bend	trans	-101.2	128.1	165.8	-112.4	-92.4	0	0	0	108.9	Y182	Y182-Y184 PolarHBondContact O-N 3.38Å
185	P	39.6	Very low	55.3	Low	79 Å²	79	96 Å²	96	51%	0.513	47%	0.467	S	S	.	.	S	Bend	cis	-72.3	146.8	3.2	31.6	-31.5	0	0	0	110.8	T183 M187	T183-P185 CarbonylContact C-O 3.31Å; T183-P185 CarbonylContact O-C 3.55Å; T183-P185 VanDerWaalsContact O-O 3.05Å; P185-M187 HydrophobicContact CG-CE 3.61Å; P185-M187 HydrophobicContact CG-CG 3.93Å; P185-M187 HydrophobicContact CG-SD 4.46Å; P185-M187 WeakPolarHBondContact O-CG 3.31Å; P185-M187 PolarHBondContact O-N 3.22Å
186	T	41	Very low	55.5	Low	101 Å²	101	95.3 Å²	95.3	62%	0.62	46%	0.464	S	S	*	.			trans	-58.2	91.4	168.8	-46.8	0	0	0	0	106.6	T183 M188	T183-T186 WeakPolarHBondContact O-CA 3.47Å; T183-T186 PolarHBondContact O-N 3.18Å; T183-T186 VanDerWaalsContact O-N 3.16Å; T186-M188 PolarHBondContact O-N 3.39Å
187	M	43.9	Very low	56.2	Low	110 Å²	110	95.7 Å²	95.7	54%	0.542	47%	0.468	S	S	.	.			trans	-77.8	125.1	-175.7	-64.1	-138.5	124.6	0	0	107.2	P185 A191	P185-M187 HydrophobicContact CG-CE 3.61Å; P185-M187 HydrophobicContact CG-CG 3.93Å; P185-M187 HydrophobicContact CG-SD 4.46Å; P185-M187 WeakPolarHBondContact O-CG 3.31Å; P185-M187 PolarHBondContact O-N 3.22Å; M187-A191 HydrophobicContact CB-CB 3.44Å; M187-A191 VanDerWaalsContact CB-CB 3.44Å; M187-A191 HydrophobicContact CG-CB 4.2Å; M187-A191 HydrophobicContact SD-CB 3.76Å
188	M	39.4	Very low	56.5	Low	162 Å²	162	95.2 Å²	95.2	80%	0.798	47%	0.47	S	S	*	.			trans	-49	150.7	175.2	-69.2	177.5	154.2	0	0	110.1	T186 D190 A191	T186-M188 PolarHBondContact O-N 3.39Å; M188-D190 PolarHBondContact O-N 3.27Å; M188-A191 PolarHBondContact O-N 3.38Å
189	D	51.6	Low	57.1	Low	165 Å²	165	95.6 Å²	95.6	88%	0.882	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42	-21.7	-176.9	-98.7	-28.2	0	0	0	115.9
190	D	50.5	Low	58.2	Low	107 Å²	107	91.8 Å²	91.8	57%	0.572	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-15.3	-178.4	-65.6	-45.7	0	0	0	115.3	M188 R193 E194	M188-D190 PolarHBondContact O-N 3.27Å; D190-R193 PolarHBondContact O-N 3.14Å; D190-E194 PolarHBondContact O-N 2.62Å; D190-E194 VanDerWaalsContact O-N 3.12Å
191	A	57.9	Low	59.4	Low	21 Å²	21	96.8 Å²	96.8	17%	0.174	47%	0.47	C	S	.	.	H	α-helix	trans	-67.1	-36.7	-173.3	0	0	0	0	0	116.1	M187 M188 R193 E194 H195	M187-A191 HydrophobicContact CB-CB 3.44Å; M187-A191 VanDerWaalsContact CB-CB 3.44Å; M187-A191 HydrophobicContact CG-CB 4.2Å; M187-A191 HydrophobicContact SD-CB 3.76Å; M188-A191 PolarHBondContact O-N 3.38Å; A191-R193 PolarHBondContact O-N 3.29Å; A191-E194 PolarHBondContact O-N 3.16Å; A191-H195 VanDerWaalsContact O-CB 3.29Å; A191-H195 WeakPolarHBondContact O-CB 3.15Å; A191-H195 PolarHBondContact O-N 2.96Å
192	P	57.8	Low	61	Low	31 Å²	31	92.3 Å²	92.3	20%	0.201	45%	0.451	C	S	.	.	H	α-helix	trans	-60.8	-37.9	174.1	-22.3	33.5	0	0	0	111.3	Y176 H195 V196	Y176-P192 HydrophobicContact CD2-CB 4Å; Y176-P192 HydrophobicContact CD2-CG 3.89Å; Y176-P192 HydrophobicContact CE2-CB 3.58Å; Y176-P192 HydrophobicContact CE2-CG 3.62Å; P192-H195 PolarHBondContact O-N 3.39Å; P192-V196 WeakPolarHBondContact O-CB 3.03Å; P192-V196 WeakPolarHBondContact O-CG2 3.43Å; P192-V196 PolarHBondContact O-N 3.19Å
193	R	68.4	Low	62.7	Low	157 Å²	157	84.4 Å²	84.4	59%	0.592	42%	0.42	S	S	*	.	H	α-helix	trans	-72.3	-42.3	-177.1	-167.8	179.1	-176.4	-174.2	1.6	111.9	L169 D190 A191 E197	L169-R193 HydrophobicContact CD1-CG 4.25Å; D190-R193 PolarHBondContact O-N 3.14Å; A191-R193 PolarHBondContact O-N 3.29Å; R193-E197 VanDerWaalsContact O-CB 3.32Å; R193-E197 WeakPolarHBondContact O-CB 3.16Å; R193-E197 PolarHBondContact O-N 3.01Å
194	E	70.7	Confident	64.8	Low	143 Å²	143	83.4 Å²	83.4	67%	0.668	41%	0.413	S	S	*	.	H	α-helix	trans	-66.9	-38	174.6	-69.8	-172.4	166.8	0	0	112	D190 A191 E197 S198	D190-E194 PolarHBondContact O-N 2.62Å; D190-E194 VanDerWaalsContact O-N 3.12Å; A191-E194 PolarHBondContact O-N 3.16Å; E194-E197 PolarHBondContact O-N 3.48Å; E194-S198 PolarHBondContact O-N 3.31Å
195	H	69.4	Low	67.3	Low	78 Å²	78	78.3 Å²	78.3	36%	0.361	40%	0.397	S	S	.	.	H	α-helix	trans	-64.5	-49.2	175.9	-168.9	77.8	0	0	0	111.5	A191 P192 E197 S198 F199	A191-H195 VanDerWaalsContact O-CB 3.29Å; A191-H195 WeakPolarHBondContact O-CB 3.15Å; A191-H195 PolarHBondContact O-N 2.96Å; P192-H195 PolarHBondContact O-N 3.39Å; H195-E197 VanDerWaalsContact C-N 3.34Å; H195-E197 PolarHBondContact O-N 3.45Å; H195-S198 PolarHBondContact O-N 2.88Å; H195-F199 VanDerWaalsContact O-CB 3.29Å; H195-F199 WeakPolarHBondContact O-CB 3.28Å; H195-F199 PolarHBondContact O-N 2.91Å
196	V	74.6	Confident	69.6	Low	2 Å²	2	78.9 Å²	78.9	1%	0.012	40%	0.395	C	S	.	.	H	α-helix	trans	-60.6	-43.2	176	169.4	0	0	0	0	110.7	K165 M168 L169 M172 P192 S198 F199 F200	K165-V196 HydrophobicContact CG-CG1 4.15Å; M168-V196 HydrophobicContact CB-CG1 4.1Å; M168-V196 HydrophobicContact CG-CG1 3.94Å; M168-V196 HydrophobicContact CG-CG2 4.36Å; M168-V196 HydrophobicContact SD-CG1 4Å; L169-V196 HydrophobicContact CB-CG1 4.41Å; M172-V196 HydrophobicContact CB-CG2 3.88Å; M172-V196 HydrophobicContact CG-CG2 4.02Å; P192-V196 WeakPolarHBondContact O-CB 3.03Å; P192-V196 WeakPolarHBondContact O-CG2 3.43Å; P192-V196 PolarHBondContact O-N 3.19Å; V196-S198 PolarHBondContact O-N 3.47Å; V196-F199 PolarHBondContact O-N 3.28Å; V196-F200 WeakPolarHBondContact O-CB 3.24Å; V196-F200 PolarHBondContact O-N 3.44Å
197	E	81.8	Confident	71.9	Confident	64 Å²	64	84.2 Å²	84.2	30%	0.299	40%	0.404	S	S	.	.	H	α-helix	trans	-57.8	-49.7	176.1	-176.8	70	-147.6	0	0	111.9	K165 R193 E194 H195 F199 F200 Q201	K165-E197 WeakPolarHBondContact CE-OE2 2.95Å; K165-E197 IonicContact NZ-OE2 2.67Å; K165-E197 PolarHBondContact NZ-OE2 3.13Å; R193-E197 VanDerWaalsContact O-CB 3.32Å; R193-E197 WeakPolarHBondContact O-CB 3.16Å; R193-E197 PolarHBondContact O-N 3.01Å; E194-E197 PolarHBondContact O-N 3.48Å; H195-E197 VanDerWaalsContact C-N 3.34Å; H195-E197 PolarHBondContact O-N 3.45Å; E197-F199 VanDerWaalsContact C-N 3.29Å; E197-F199 PolarHBondContact O-N 3.43Å; E197-F200 PolarHBondContact O-N 3.04Å; E197-Q201 WeakPolarHBondContact O-CB 2.86Å; E197-Q201 VanDerWaalsContact O-CG 3.32Å; E197-Q201 WeakPolarHBondContact O-CG 3.42Å; E197-Q201 PolarHBondContact O-N 2.85Å; E197-Q201 PolarHBondContact OE1-NE2 3.06Å
198	S	78.4	Confident	74.1	Confident	62 Å²	62	83.1 Å²	83.1	43%	0.434	40%	0.4	S	S	.	.	H	α-helix	trans	-65.4	-36.1	-179.3	-175.2	0	0	0	0	111.9	E194 H195 V196 K202	E194-S198 PolarHBondContact O-N 3.31Å; H195-S198 PolarHBondContact O-N 2.88Å; V196-S198 PolarHBondContact O-N 3.47Å; S198-K202 WeakPolarHBondContact O-CG 3.24Å; S198-K202 PolarHBondContact O-N 2.93Å
199	F	77.1	Confident	76.4	Confident	18 Å²	18	77.2 Å²	77.2	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-71.7	-46.5	179.3	-158.4	-102.5	0	0	0	111.5	M168 H195 V196 E197 Q201 K202 M203 I226 M230	M168-F199 HydrophobicContact CE-CD1 4.26Å; M168-F199 HydrophobicContact SD-CD1 3.9Å; H195-F199 VanDerWaalsContact O-CB 3.29Å; H195-F199 WeakPolarHBondContact O-CB 3.28Å; H195-F199 PolarHBondContact O-N 2.91Å; V196-F199 PolarHBondContact O-N 3.28Å; E197-F199 VanDerWaalsContact C-N 3.29Å; E197-F199 PolarHBondContact O-N 3.43Å; F199-Q201 PolarHBondContact O-N 3.06Å; F199-K202 PolarHBondContact O-N 3.13Å; F199-K202 VanDerWaalsContact O-N 3.14Å; F199-M203 HydrophobicContact CD1-CE 3.24Å; F199-M203 HydrophobicContact CD1-SD 4Å; F199-M203 HydrophobicContact CE1-CE 3.1Å; F199-M203 HydrophobicContact CE1-CG 4.29Å; F199-M203 HydrophobicContact CE1-SD 3.36Å; F199-M203 WeakPolarHBondContact CE1-SD 3.18Å; F199-M203 HydrophobicContact CG-CE 4.42Å; F199-M203 HydrophobicContact CZ-CE 4.23Å; F199-M203 HydrophobicContact CZ-SD 3.97Å; F199-M203 PolarHBondContact O-N 2.97Å; F199-I226 HydrophobicContact CD2-CG1 4.44Å; F199-I226 HydrophobicContact CE1-CG2 4.39Å; F199-I226 HydrophobicContact CE2-CB 4.04Å; F199-I226 HydrophobicContact CE2-CG1 3.82Å; F199-I226 HydrophobicContact CE2-CG2 3.86Å; F199-I226 HydrophobicContact CZ-CB 4.18Å; F199-I226 HydrophobicContact CZ-CG1 4.31Å; F199-I226 HydrophobicContact CZ-CG2 3.49Å; F199-I226 VanDerWaalsContact CZ-CG2 3.49Å; F199-M230 HydrophobicContact CD1-CE 4.15Å; F199-M230 HydrophobicContact CE1-CE 3.24Å; F199-M230 HydrophobicContact CE1-CG 4.18Å; F199-M230 HydrophobicContact CE1-SD 3.8Å; F199-M230 HydrophobicContact CE2-CE 4.09Å; F199-M230 HydrophobicContact CZ-CE 3.23Å; F199-M230 HydrophobicContact CZ-CG 3.66Å; F199-M230 HydrophobicContact CZ-SD 3.85Å
200	F	83.4	Confident	78.3	Confident	10 Å²	10	71.2 Å²	71.2	4%	0.044	35%	0.35	C	S	.	.	H	α-helix	trans	-59.7	-47.2	177.9	-163.3	-86.1	0	0	0	111.1	I163 K165 M168 V196 E197 K202 M203 D204 G209 V211	I163-F200 WeakPolarHBondContact O-CE2 3.48Å; K165-F200 HydrophobicContact CB-CD1 4.47Å; K165-F200 HydrophobicContact CB-CD2 3.88Å; K165-F200 HydrophobicContact CB-CE1 4.43Å; K165-F200 HydrophobicContact CB-CE2 3.84Å; K165-F200 HydrophobicContact CB-CG 4.21Å; K165-F200 HydrophobicContact CB-CZ 4.12Å; K165-F200 HydrophobicContact CG-CD2 4.35Å; K165-F200 HydrophobicContact CG-CG 4.39Å; M168-F200 HydrophobicContact CE-CD2 3.94Å; M168-F200 HydrophobicContact SD-CB 4.33Å; M168-F200 HydrophobicContact SD-CD2 4.09Å; V196-F200 WeakPolarHBondContact O-CB 3.24Å; V196-F200 PolarHBondContact O-N 3.44Å; E197-F200 PolarHBondContact O-N 3.04Å; F200-K202 PolarHBondContact O-N 2.86Å; F200-K202 VanDerWaalsContact O-N 3.16Å; F200-M203 PolarHBondContact O-N 3.43Å; F200-M203 VanDerWaalsContact O-N 3.07Å; F200-D204 HydrophobicContact CD1-CB 4.06Å; F200-D204 HydrophobicContact CE1-CB 3.88Å; F200-D204 VanDerWaalsContact O-CB 3.3Å; F200-D204 WeakPolarHBondContact O-CB 3.49Å; F200-D204 PolarHBondContact O-N 3.31Å; F200-G209 WeakPolarHBondContact CZ-O 3.3Å; F200-V211 HydrophobicContact CD2-CG2 4.13Å; F200-V211 HydrophobicContact CE1-CG2 4.43Å; F200-V211 HydrophobicContact CE2-CG2 3.74Å; F200-V211 HydrophobicContact CZ-CG2 3.91Å
201	Q	85.8	Confident	80.2	Confident	125 Å²	125	66.1 Å²	66.1	58%	0.584	32%	0.323	S	S	*	.	H	α-helix	trans	-61.3	-25.3	177.6	-76.9	-178	9.8	0	0	114.4	E197 F199	E197-Q201 WeakPolarHBondContact O-CB 2.86Å; E197-Q201 VanDerWaalsContact O-CG 3.32Å; E197-Q201 WeakPolarHBondContact O-CG 3.42Å; E197-Q201 PolarHBondContact O-N 2.85Å; E197-Q201 PolarHBondContact OE1-NE2 3.06Å; F199-Q201 PolarHBondContact O-N 3.06Å
202	K	83.1	Confident	81.9	Confident	105 Å²	105	67 Å²	67	46%	0.457	33%	0.327	S	S	.	.	H	α-helix	trans	-83	-28.9	176.7	-70.7	179.1	-179.8	-170.1	0	112.5	S198 F199 F200 D223 I226	S198-K202 WeakPolarHBondContact O-CG 3.24Å; S198-K202 PolarHBondContact O-N 2.93Å; F199-K202 PolarHBondContact O-N 3.13Å; F199-K202 VanDerWaalsContact O-N 3.14Å; F200-K202 PolarHBondContact O-N 2.86Å; F200-K202 VanDerWaalsContact O-N 3.16Å; K202-D223 IonicContact NZ-OD2 3.87Å; K202-I226 HydrophobicContact CB-CD1 3.65Å; K202-I226 HydrophobicContact CD-CD1 3.93Å; K202-I226 HydrophobicContact CD-CG1 4.38Å; K202-I226 HydrophobicContact CG-CD1 4.48Å
203	M	83.7	Confident	83.4	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-89.3	-35.7	-179.1	-66.5	-162	-59.2	0	0	112.9	M168 F199 F200 Q205 V211 F216 S219 I226	M168-M203 HydrophobicContact CE-CE 3.19Å; M168-M203 HydrophobicContact SD-CE 4.23Å; F199-M203 HydrophobicContact CD1-CE 3.24Å; F199-M203 HydrophobicContact CD1-SD 4Å; F199-M203 HydrophobicContact CE1-CE 3.1Å; F199-M203 HydrophobicContact CE1-CG 4.29Å; F199-M203 HydrophobicContact CE1-SD 3.36Å; F199-M203 WeakPolarHBondContact CE1-SD 3.18Å; F199-M203 HydrophobicContact CG-CE 4.42Å; F199-M203 HydrophobicContact CZ-CE 4.23Å; F199-M203 HydrophobicContact CZ-SD 3.97Å; F199-M203 PolarHBondContact O-N 2.97Å; F200-M203 PolarHBondContact O-N 3.43Å; F200-M203 VanDerWaalsContact O-N 3.07Å; M203-Q205 VanDerWaalsContact C-N 3.32Å; M203-Q205 PolarHBondContact O-N 2.97Å; M203-V211 HydrophobicContact CB-CG1 3.92Å; M203-V211 HydrophobicContact CB-CG2 3.96Å; M203-F216 HydrophobicContact CE-CD2 4.2Å; M203-F216 HydrophobicContact CE-CE2 4.36Å; M203-F216 HydrophobicContact SD-CD2 3.71Å; M203-F216 HydrophobicContact SD-CE2 3.99Å; M203-S219 WeakPolarHBondContact CA-OG 3.44Å; M203-I226 HydrophobicContact CG-CD1 4.3Å; M203-I226 HydrophobicContact CG-CG2 4.41Å; M203-I226 HydrophobicContact SD-CG2 4.16Å
204	D	88.8	Confident	84.4	Confident	13 Å²	13	66.5 Å²	66.5	7%	0.07	33%	0.334	C	S	.	.			trans	-73.4	82.8	172.9	-178	2.6	0	0	0	109.9	F200 N206 R207 D208 G209 V211	F200-D204 HydrophobicContact CD1-CB 4.06Å; F200-D204 HydrophobicContact CE1-CB 3.88Å; F200-D204 VanDerWaalsContact O-CB 3.3Å; F200-D204 WeakPolarHBondContact O-CB 3.49Å; F200-D204 PolarHBondContact O-N 3.31Å; D204-N206 PolarHBondContact OD1-OD1 3.08Å; D204-N206 VanDerWaalsContact OD1-OD1 3.04Å; D204-R207 VanDerWaalsContact CG-CA 3.48Å; D204-R207 WeakPolarHBondContact OD1-CA 3.49Å; D204-R207 PolarHBondContact OD1-N 2.86Å; D204-R207 WeakPolarHBondContact OD2-CA 3.13Å; D204-D208 PolarHBondContact OD1-N 3.28Å; D204-G209 WeakPolarHBondContact OD2-CA 3.31Å; D204-G209 PolarHBondContact OD2-N 3.46Å; D204-G209 VanDerWaalsContact OD2-N 3.08Å; D204-V211 HydrophobicContact CB-CG2 4.12Å
205	Q	85.9	Confident	85.4	Confident	92 Å²	92	60.6 Å²	60.6	43%	0.43	31%	0.306	S	S	.	.	S	Bend	trans	-71.9	-35.5	-174.9	-71.5	-178.9	24.1	0	0	111.8	M203 S219	M203-Q205 VanDerWaalsContact C-N 3.32Å; M203-Q205 PolarHBondContact O-N 2.97Å; Q205-S219 PolarHBondContact NE2-OG 2.87Å; Q205-S219 VanDerWaalsContact NE2-OG 3.09Å
206	N	89.1	Confident	86.2	Confident	90 Å²	90	56.9 Å²	56.9	48%	0.481	29%	0.289	S	S	.	.	S	Bend	trans	-88.2	-12.8	-177.7	74.8	10.7	0	0	0	113	D204 D208 E215	D204-N206 PolarHBondContact OD1-OD1 3.08Å; D204-N206 VanDerWaalsContact OD1-OD1 3.04Å; N206-D208 VanDerWaalsContact C-N 3.33Å; N206-D208 VanDerWaalsContact ND2-CG 3.32Å; N206-D208 PolarHBondContact ND2-OD2 2.67Å; N206-D208 VanDerWaalsContact OD1-CB 3.28Å; N206-D208 WeakPolarHBondContact OD1-CB 3.37Å; N206-D208 PolarHBondContact OD1-N 3.19Å; N206-D208 PolarHBondContact OD1-OD1 3.49Å; N206-D208 VanDerWaalsContact OD1-OD1 3.1Å; N206-D208 PolarHBondContact OD1-OD2 3.42Å; N206-E215 PolarHBondContact N-OE1 3.3Å; N206-E215 PolarHBondContact ND2-OE1 3.2Å
207	R	88.1	Confident	86.7	Confident	213 Å²	213	57.7 Å²	57.7	80%	0.804	29%	0.293	S	S	*	.			trans	61.8	35.2	-179.2	-57.2	-177.4	-177.2	173.7	-0.3	113.7	D204 G209	D204-R207 VanDerWaalsContact CG-CA 3.48Å; D204-R207 WeakPolarHBondContact OD1-CA 3.49Å; D204-R207 PolarHBondContact OD1-N 2.86Å; D204-R207 WeakPolarHBondContact OD2-CA 3.13Å; R207-G209 VanDerWaalsContact C-N 3.29Å
208	D	90.1	Very high	87	Confident	87 Å²	87	57.9 Å²	57.9	47%	0.465	30%	0.296	S	S	.	.	S	Bend	trans	-85.1	-5.2	176.6	70.6	8	0	0	0	113	D204 N206 V210	D204-D208 PolarHBondContact OD1-N 3.28Å; N206-D208 VanDerWaalsContact C-N 3.33Å; N206-D208 VanDerWaalsContact ND2-CG 3.32Å; N206-D208 PolarHBondContact ND2-OD2 2.67Å; N206-D208 VanDerWaalsContact OD1-CB 3.28Å; N206-D208 WeakPolarHBondContact OD1-CB 3.37Å; N206-D208 PolarHBondContact OD1-N 3.19Å; N206-D208 PolarHBondContact OD1-OD1 3.49Å; N206-D208 VanDerWaalsContact OD1-OD1 3.1Å; N206-D208 PolarHBondContact OD1-OD2 3.42Å; D208-V210 WeakPolarHBondContact OD1-CG2 3.29Å; D208-V210 PolarHBondContact OD1-N 3.4Å
209	G	87.4	Confident	87.4	Confident	39 Å²	39	55.1 Å²	55.1	40%	0.402	28%	0.276	S	S	.	.	S	Bend	trans	87.9	7.8	178.4	0	0	0	0	0	114.1	F200 D204 R207	F200-G209 WeakPolarHBondContact CZ-O 3.3Å; D204-G209 WeakPolarHBondContact OD2-CA 3.31Å; D204-G209 PolarHBondContact OD2-N 3.46Å; D204-G209 VanDerWaalsContact OD2-N 3.08Å; R207-G209 VanDerWaalsContact C-N 3.29Å
210	V	91.8	Very high	87.5	Confident	38 Å²	38	54.2 Å²	54.2	23%	0.23	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	156.9	171.2	-63.4	0	0	0	0	110.5	C162 T164 D208	C162-V210 HydrophobicContact CB-CB 4.06Å; C162-V210 HydrophobicContact CB-CG1 4.4Å; C162-V210 HydrophobicContact CB-CG2 4.41Å; T164-V210 HydrophobicContact CG2-CG1 4.33Å; D208-V210 WeakPolarHBondContact OD1-CG2 3.29Å; D208-V210 PolarHBondContact OD1-N 3.4Å
211	V	91.1	Very high	87.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.4	173.2	-178.3	0	0	0	0	108.7	I163 F200 M203 D204 E215 F216	I163-V211 HydrophobicContact CB-CB 4.31Å; I163-V211 PolarHBondContact N-O 3.2Å; I163-V211 PolarHBondContact O-N 3.47Å; F200-V211 HydrophobicContact CD2-CG2 4.13Å; F200-V211 HydrophobicContact CE1-CG2 4.43Å; F200-V211 HydrophobicContact CE2-CG2 3.74Å; F200-V211 HydrophobicContact CZ-CG2 3.91Å; M203-V211 HydrophobicContact CB-CG1 3.92Å; M203-V211 HydrophobicContact CB-CG2 3.96Å; D204-V211 HydrophobicContact CB-CG2 4.12Å; V211-E215 HydrophobicContact CG1-CB 4.12Å; V211-F216 HydrophobicContact CG1-CB 4.05Å
212	T	92.7	Very high	87.3	Confident	41 Å²	41	59.2 Å²	59.2	25%	0.252	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	162.1	175	61	0	0	0	0	111.8	D214 E215 F216	T212-D214 VanDerWaalsContact C-N 3.25Å; T212-D214 PolarHBondContact O-N 3.5Å; T212-E215 PolarHBondContact N-OE2 3.44Å; T212-E215 PolarHBondContact O-N 2.74Å; T212-E215 VanDerWaalsContact O-N 3.16Å; T212-E215 WeakPolarHBondContact OG1-CG 3.49Å; T212-E215 PolarHBondContact OG1-N 3.03Å; T212-E215 PolarHBondContact OG1-OE2 3.26Å; T212-F216 WeakPolarHBondContact O-CB 3.18Å; T212-F216 PolarHBondContact O-N 3.11Å
213	I	89.5	Confident	87	Confident	56 Å²	56	56 Å²	56	29%	0.287	28%	0.28	S	S	.	.	H	α-helix	trans	-57.8	-38	178.3	-164.8	165.3	0	0	0	113	N149 F152 F216 I217	N149-I213 WeakPolarHBondContact OD1-CD1 3.27Å; F152-I213 HydrophobicContact CB-CG1 4.34Å; F152-I213 HydrophobicContact CD1-CB 4.25Å; F152-I213 HydrophobicContact CD1-CD1 4.01Å; F152-I213 HydrophobicContact CD1-CG1 4.09Å; F152-I213 HydrophobicContact CD2-CB 4.12Å; F152-I213 HydrophobicContact CD2-CG1 4.12Å; F152-I213 HydrophobicContact CE1-CB 4.16Å; F152-I213 HydrophobicContact CE2-CB 4.02Å; F152-I213 HydrophobicContact CG-CB 4.24Å; F152-I213 HydrophobicContact CG-CD1 4.22Å; F152-I213 HydrophobicContact CG-CG1 3.9Å; F152-I213 HydrophobicContact CZ-CB 4.05Å; I213-F216 PolarHBondContact O-N 3.36Å; I213-I217 HydrophobicContact CG1-CD1 3.99Å; I213-I217 WeakPolarHBondContact O-CB 3.38Å; I213-I217 VanDerWaalsContact O-CG1 3.28Å; I213-I217 WeakPolarHBondContact O-CG1 3.42Å; I213-I217 PolarHBondContact O-N 2.98Å
214	D	90.7	Very high	86.4	Confident	121 Å²	121	63 Å²	63	65%	0.647	31%	0.313	S	S	*	.	H	α-helix	trans	-66.2	-44.8	177.7	-72.1	-31.4	0	0	0	110.5	T212 F216 I217 D218	T212-D214 VanDerWaalsContact C-N 3.25Å; T212-D214 PolarHBondContact O-N 3.5Å; D214-F216 PolarHBondContact O-N 2.62Å; D214-I217 PolarHBondContact O-N 2.75Å; D214-D218 VanDerWaalsContact O-CB 3.24Å; D214-D218 WeakPolarHBondContact O-CB 3.23Å; D214-D218 PolarHBondContact O-N 3.39Å
215	E	90.4	Very high	85.3	Confident	18 Å²	18	67.2 Å²	67.2	8%	0.084	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-39.6	175.8	-75.2	170.3	137.9	0	0	112.3	N206 V211 T212 S219	N206-E215 PolarHBondContact N-OE1 3.3Å; N206-E215 PolarHBondContact ND2-OE1 3.2Å; V211-E215 HydrophobicContact CG1-CB 4.12Å; T212-E215 PolarHBondContact N-OE2 3.44Å; T212-E215 PolarHBondContact O-N 2.74Å; T212-E215 VanDerWaalsContact O-N 3.16Å; T212-E215 WeakPolarHBondContact OG1-CG 3.49Å; T212-E215 PolarHBondContact OG1-N 3.03Å; T212-E215 PolarHBondContact OG1-OE2 3.26Å; E215-S219 WeakPolarHBondContact O-CB 3.04Å; E215-S219 PolarHBondContact O-N 3.4Å; E215-S219 PolarHBondContact O-OG 2.73Å
216	F	86.2	Confident	84.5	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-52	176.1	-176.4	-98.3	0	0	0	111.3	L148 A151 F152 I163 M203 V211 T212 I213 D214 S219 C220 M230	L148-F216 HydrophobicContact CB-CE1 4.46Å; L148-F216 HydrophobicContact CD2-CE1 4.15Å; L148-F216 WeakPolarHBondContact O-CE1 3.39Å; A151-F216 HydrophobicContact CB-CE1 4.4Å; A151-F216 HydrophobicContact CB-CZ 4.42Å; F152-F216 HydrophobicContact CB-CD1 4.05Å; F152-F216 HydrophobicContact CB-CE1 4.24Å; F152-F216 HydrophobicContact CD2-CB 3.77Å; F152-F216 HydrophobicContact CD2-CD1 4.1Å; F152-F216 HydrophobicContact CD2-CD2 4.42Å; F152-F216 AromaticContact CD2-CG 3.85Å; F152-F216 HydrophobicContact CD2-CG 3.85Å; F152-F216 HydrophobicContact CE2-CB 4.25Å; I163-F216 HydrophobicContact CD1-CD2 4.15Å; I163-F216 HydrophobicContact CD1-CE2 4.48Å; M203-F216 HydrophobicContact CE-CD2 4.2Å; M203-F216 HydrophobicContact CE-CE2 4.36Å; M203-F216 HydrophobicContact SD-CD2 3.71Å; M203-F216 HydrophobicContact SD-CE2 3.99Å; V211-F216 HydrophobicContact CG1-CB 4.05Å; T212-F216 WeakPolarHBondContact O-CB 3.18Å; T212-F216 PolarHBondContact O-N 3.11Å; I213-F216 PolarHBondContact O-N 3.36Å; D214-F216 PolarHBondContact O-N 2.62Å; F216-S219 PolarHBondContact O-N 3.26Å; F216-C220 WeakPolarHBondContact O-CB 3.38Å; F216-C220 PolarHBondContact O-N 2.85Å; F216-C220 PolarHBondContact O-SG 2.89Å; F216-M230 HydrophobicContact CE2-CG 4.48Å; F216-M230 HydrophobicContact CE2-SD 3.95Å; F216-M230 HydrophobicContact CZ-CG 4.28Å; F216-M230 HydrophobicContact CZ-SD 3.96Å
217	I	85.7	Confident	83.3	Confident	20 Å²	20	60.4 Å²	60.4	10%	0.103	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-44.8	179.9	-69.8	170.3	0	0	0	111	L148 N149 I213 D214 S219 C220 K221	L148-I217 HydrophobicContact CB-CG1 4.17Å; L148-I217 HydrophobicContact CD1-CG2 4.4Å; N149-I217 WeakPolarHBondContact OD1-CD1 3.38Å; I213-I217 HydrophobicContact CG1-CD1 3.99Å; I213-I217 WeakPolarHBondContact O-CB 3.38Å; I213-I217 VanDerWaalsContact O-CG1 3.28Å; I213-I217 WeakPolarHBondContact O-CG1 3.42Å; I213-I217 PolarHBondContact O-N 2.98Å; D214-I217 PolarHBondContact O-N 2.75Å; I217-S219 VanDerWaalsContact C-N 3.34Å; I217-S219 PolarHBondContact O-N 2.9Å; I217-C220 PolarHBondContact O-N 3.39Å; I217-K221 HydrophobicContact CG2-CD 3.88Å; I217-K221 VanDerWaalsContact CG2-CE 3.47Å; I217-K221 WeakPolarHBondContact O-CB 3.45Å; I217-K221 VanDerWaalsContact O-CG 3.31Å; I217-K221 WeakPolarHBondContact O-CG 3.39Å; I217-K221 PolarHBondContact O-N 2.81Å
218	D	88.4	Confident	82	Confident	67 Å²	67	55.2 Å²	55.2	36%	0.358	29%	0.286	S	S	.	.	H	α-helix	trans	-62.9	-42.8	179	-100.7	20.3	0	0	0	111.6	D214 K221 K222	D214-D218 VanDerWaalsContact O-CB 3.24Å; D214-D218 WeakPolarHBondContact O-CB 3.23Å; D214-D218 PolarHBondContact O-N 3.39Å; D218-K221 PolarHBondContact O-N 3.07Å; D218-K222 VanDerWaalsContact O-CB 3.3Å; D218-K222 WeakPolarHBondContact O-CB 3.48Å; D218-K222 WeakPolarHBondContact O-CD 3.29Å; D218-K222 WeakPolarHBondContact O-CG 3.5Å; D218-K222 PolarHBondContact O-N 3.49Å; D218-K222 IonicContact OD2-NZ 2.81Å; D218-K222 PolarHBondContact OD2-NZ 3.04Å
219	S	85.4	Confident	80.4	Confident	4 Å²	4	52.6 Å²	52.6	3%	0.028	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-40.4	-179.3	-57.7	0	0	0	0	111.1	M203 Q205 E215 F216 I217 K221 K222 D223	M203-S219 WeakPolarHBondContact CA-OG 3.44Å; Q205-S219 PolarHBondContact NE2-OG 2.87Å; Q205-S219 VanDerWaalsContact NE2-OG 3.09Å; E215-S219 WeakPolarHBondContact O-CB 3.04Å; E215-S219 PolarHBondContact O-N 3.4Å; E215-S219 PolarHBondContact O-OG 2.73Å; F216-S219 PolarHBondContact O-N 3.26Å; I217-S219 VanDerWaalsContact C-N 3.34Å; I217-S219 PolarHBondContact O-N 2.9Å; S219-K221 VanDerWaalsContact C-N 3.31Å; S219-K221 PolarHBondContact O-N 3.24Å; S219-K222 PolarHBondContact O-N 3.23Å; S219-D223 PolarHBondContact O-N 3.43Å
220	C	80.7	Confident	79	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-33.5	172.2	-69.4	0	0	0	0	112.6	L148 F216 I217 M227	L148-C220 HydrophobicContact CD1-CB 4.05Å; L148-C220 HydrophobicContact CD2-CB 3.76Å; F216-C220 WeakPolarHBondContact O-CB 3.38Å; F216-C220 PolarHBondContact O-N 2.85Å; F216-C220 PolarHBondContact O-SG 2.89Å; I217-C220 PolarHBondContact O-N 3.39Å; C220-M227 WeakPolarHBondContact O-CB 3.39Å; C220-M227 WeakPolarHBondContact O-CG 3.24Å
221	K	81.8	Confident	77	Confident	107 Å²	107	52 Å²	52	47%	0.465	26%	0.259	S	S	.	.	H	α-helix	trans	-79.2	-28.8	177.1	-75.3	171.9	-178.8	164.7	0	113.7	N145 I217 D218 S219	N145-K221 WeakPolarHBondContact OD1-CE 3.36Å; N145-K221 PolarHBondContact OD1-NZ 2.96Å; I217-K221 HydrophobicContact CG2-CD 3.88Å; I217-K221 VanDerWaalsContact CG2-CE 3.47Å; I217-K221 WeakPolarHBondContact O-CB 3.45Å; I217-K221 VanDerWaalsContact O-CG 3.31Å; I217-K221 WeakPolarHBondContact O-CG 3.39Å; I217-K221 PolarHBondContact O-N 2.81Å; D218-K221 PolarHBondContact O-N 3.07Å; S219-K221 VanDerWaalsContact C-N 3.31Å; S219-K221 PolarHBondContact O-N 3.24Å
222	K	82.9	Confident	74.6	Confident	132 Å²	132	55.9 Å²	55.9	57%	0.574	28%	0.279	S	S	*	.	H	α-helix	trans	-86	-36.1	-175.6	-74.5	168.5	-168.6	160.9	0	112.9	D218 S219	D218-K222 VanDerWaalsContact O-CB 3.3Å; D218-K222 WeakPolarHBondContact O-CB 3.48Å; D218-K222 WeakPolarHBondContact O-CD 3.29Å; D218-K222 WeakPolarHBondContact O-CG 3.5Å; D218-K222 PolarHBondContact O-N 3.49Å; D218-K222 IonicContact OD2-NZ 2.81Å; D218-K222 PolarHBondContact OD2-NZ 3.04Å; S219-K222 PolarHBondContact O-N 3.23Å
223	D	77.2	Confident	72.3	Confident	39 Å²	39	56.1 Å²	56.1	21%	0.209	28%	0.277	C	S	.	.			trans	-113.5	107.6	-178.4	-172.2	-18.9	0	0	0	110.2	K202 S219 N225 I226 M227	K202-D223 IonicContact NZ-OD2 3.87Å; S219-D223 PolarHBondContact O-N 3.43Å; D223-N225 PolarHBondContact O-N 3.47Å; D223-N225 WeakPolarHBondContact OD1-CA 3.46Å; D223-N225 VanDerWaalsContact OD1-CB 3.27Å; D223-N225 WeakPolarHBondContact OD1-CB 3.45Å; D223-N225 PolarHBondContact OD1-N 3.47Å; D223-N225 PolarHBondContact OD1-ND2 3.28Å; D223-I226 HydrophobicContact CB-CB 3.96Å; D223-I226 HydrophobicContact CB-CD1 3.81Å; D223-I226 HydrophobicContact CB-CG1 3.82Å; D223-I226 WeakPolarHBondContact O-CB 3.34Å; D223-I226 PolarHBondContact O-N 3.14Å; D223-I226 PolarHBondContact OD1-N 2.82Å; D223-M227 PolarHBondContact O-N 3.26Å
224	E	70.8	Confident	69.8	Low	145 Å²	145	54.5 Å²	54.5	68%	0.678	27%	0.269	S	S	*	.	H	α-helix	trans	-59.9	-25.8	177.1	-72.3	-173.7	172.5	0	0	112.7	Q228	E224-Q228 WeakPolarHBondContact O-CB 3.39Å; E224-Q228 WeakPolarHBondContact O-CG 3.35Å; E224-Q228 PolarHBondContact O-N 2.82Å
225	N	65.7	Low	67	Low	103 Å²	103	52.1 Å²	52.1	55%	0.551	26%	0.256	S	S	*	.	H	α-helix	trans	-75.5	-35.7	175.7	-53.7	-77	0	0	0	111.3	D223 Q228 S229	D223-N225 PolarHBondContact O-N 3.47Å; D223-N225 WeakPolarHBondContact OD1-CA 3.46Å; D223-N225 VanDerWaalsContact OD1-CB 3.27Å; D223-N225 WeakPolarHBondContact OD1-CB 3.45Å; D223-N225 PolarHBondContact OD1-N 3.47Å; D223-N225 PolarHBondContact OD1-ND2 3.28Å; N225-Q228 PolarHBondContact O-N 3.29Å; N225-S229 WeakPolarHBondContact O-CB 3.24Å; N225-S229 PolarHBondContact O-N 2.63Å; N225-S229 PolarHBondContact O-OG 3.4Å; N225-S229 VanDerWaalsContact O-OG 3.05Å
226	I	67.8	Low	64.1	Low	4 Å²	4	53.8 Å²	53.8	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-67.5	-45.8	172.7	-68	-178.9	0	0	0	109	F199 K202 M203 D223 Q228 S229 M230	F199-I226 HydrophobicContact CD2-CG1 4.44Å; F199-I226 HydrophobicContact CE1-CG2 4.39Å; F199-I226 HydrophobicContact CE2-CB 4.04Å; F199-I226 HydrophobicContact CE2-CG1 3.82Å; F199-I226 HydrophobicContact CE2-CG2 3.86Å; F199-I226 HydrophobicContact CZ-CB 4.18Å; F199-I226 HydrophobicContact CZ-CG1 4.31Å; F199-I226 HydrophobicContact CZ-CG2 3.49Å; F199-I226 VanDerWaalsContact CZ-CG2 3.49Å; K202-I226 HydrophobicContact CB-CD1 3.65Å; K202-I226 HydrophobicContact CD-CD1 3.93Å; K202-I226 HydrophobicContact CD-CG1 4.38Å; K202-I226 HydrophobicContact CG-CD1 4.48Å; M203-I226 HydrophobicContact CG-CD1 4.3Å; M203-I226 HydrophobicContact CG-CG2 4.41Å; M203-I226 HydrophobicContact SD-CG2 4.16Å; D223-I226 HydrophobicContact CB-CB 3.96Å; D223-I226 HydrophobicContact CB-CD1 3.81Å; D223-I226 HydrophobicContact CB-CG1 3.82Å; D223-I226 WeakPolarHBondContact O-CB 3.34Å; D223-I226 PolarHBondContact O-N 3.14Å; D223-I226 PolarHBondContact OD1-N 2.82Å; I226-Q228 VanDerWaalsContact C-N 3.32Å; I226-Q228 PolarHBondContact O-N 2.87Å; I226-S229 PolarHBondContact O-N 3.19Å; I226-M230 HydrophobicContact CG2-CG 4.45Å; I226-M230 WeakPolarHBondContact O-CB 3.11Å; I226-M230 VanDerWaalsContact O-CG 3.32Å; I226-M230 WeakPolarHBondContact O-CG 3.33Å; I226-M230 PolarHBondContact O-N 2.97Å
227	M	65.8	Low	61.6	Low	35 Å²	35	56 Å²	56	17%	0.172	28%	0.279	C	S	.	.	H	α-helix	trans	-56.8	-47.6	174.1	-156.9	172	-178.1	0	0	110.8	I144 C220 D223 M230 Q231	I144-M227 HydrophobicContact CD1-CE 4.27Å; I144-M227 HydrophobicContact CG2-CE 3.65Å; C220-M227 WeakPolarHBondContact O-CB 3.39Å; C220-M227 WeakPolarHBondContact O-CG 3.24Å; D223-M227 PolarHBondContact O-N 3.26Å; M227-M230 PolarHBondContact O-N 2.91Å; M227-Q231 VanDerWaalsContact CE-NE2 3.32Å; M227-Q231 HydrophobicContact CG-CG 4.21Å; M227-Q231 WeakPolarHBondContact O-CA 3.48Å; M227-Q231 WeakPolarHBondContact O-CB 3.38Å; M227-Q231 WeakPolarHBondContact O-CG 3.37Å; M227-Q231 PolarHBondContact O-N 3.29Å
228	Q	60.3	Low	60.4	Low	104 Å²	104	57.8 Å²	57.8	49%	0.486	29%	0.288	S	S	.	.	H	α-helix	trans	-69.6	-35.9	179.8	-79.1	174.6	6.6	0	0	112.4	E224 N225 I226 Q231 L232	E224-Q228 WeakPolarHBondContact O-CB 3.39Å; E224-Q228 WeakPolarHBondContact O-CG 3.35Å; E224-Q228 PolarHBondContact O-N 2.82Å; N225-Q228 PolarHBondContact O-N 3.29Å; I226-Q228 VanDerWaalsContact C-N 3.32Å; I226-Q228 PolarHBondContact O-N 2.87Å; Q228-Q231 CarbonylContact O-C 3.57Å; Q228-L232 WeakPolarHBondContact O-CA 3.45Å; Q228-L232 WeakPolarHBondContact O-CB 3.35Å; Q228-L232 VanDerWaalsContact O-CD1 3.27Å; Q228-L232 WeakPolarHBondContact O-CD1 3.49Å; Q228-L232 WeakPolarHBondContact O-CG 3.47Å; Q228-L232 PolarHBondContact O-N 2.98Å
229	S	56.8	Low	58.9	Low	32 Å²	32	57.3 Å²	57.3	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-65.7	-49.2	173.1	-70.1	0	0	0	0	110.2	N225 I226 Q231 L232 F233	N225-S229 WeakPolarHBondContact O-CB 3.24Å; N225-S229 PolarHBondContact O-N 2.63Å; N225-S229 PolarHBondContact O-OG 3.4Å; N225-S229 VanDerWaalsContact O-OG 3.05Å; I226-S229 PolarHBondContact O-N 3.19Å; S229-Q231 PolarHBondContact O-N 3.3Å; S229-L232 WeakPolarHBondContact O-CA 3.47Å; S229-L232 WeakPolarHBondContact O-CB 3.34Å; S229-L232 PolarHBondContact O-N 3.11Å; S229-F233 WeakPolarHBondContact O-CD2 3.3Å; S229-F233 WeakPolarHBondContact O-CE2 3.41Å; S229-F233 WeakPolarHBondContact O-CG 3.4Å; S229-F233 PolarHBondContact O-N 2.92Å
230	M	57.5	Low	57.4	Low	8 Å²	8	60.3 Å²	60.3	4%	0.039	30%	0.298	C	S	.	.	H	α-helix	trans	-62.3	-43.6	175.8	-67.8	-65.8	102.7	0	0	111.9	Y155 F199 F216 I226 M227 L232 F233 D234	Y155-M230 HydrophobicContact CE2-CE 4.43Å; Y155-M230 HydrophobicContact CE2-SD 3.79Å; Y155-M230 WeakPolarHBondContact OH-CE 3.2Å; F199-M230 HydrophobicContact CD1-CE 4.15Å; F199-M230 HydrophobicContact CE1-CE 3.24Å; F199-M230 HydrophobicContact CE1-CG 4.18Å; F199-M230 HydrophobicContact CE1-SD 3.8Å; F199-M230 HydrophobicContact CE2-CE 4.09Å; F199-M230 HydrophobicContact CZ-CE 3.23Å; F199-M230 HydrophobicContact CZ-CG 3.66Å; F199-M230 HydrophobicContact CZ-SD 3.85Å; F216-M230 HydrophobicContact CE2-CG 4.48Å; F216-M230 HydrophobicContact CE2-SD 3.95Å; F216-M230 HydrophobicContact CZ-CG 4.28Å; F216-M230 HydrophobicContact CZ-SD 3.96Å; I226-M230 HydrophobicContact CG2-CG 4.45Å; I226-M230 WeakPolarHBondContact O-CB 3.11Å; I226-M230 VanDerWaalsContact O-CG 3.32Å; I226-M230 WeakPolarHBondContact O-CG 3.33Å; I226-M230 PolarHBondContact O-N 2.97Å; M227-M230 PolarHBondContact O-N 2.91Å; M230-L232 VanDerWaalsContact C-N 3.28Å; M230-L232 PolarHBondContact O-N 3.31Å; M230-F233 HydrophobicContact CE-CD2 3.49Å; M230-F233 VanDerWaalsContact CE-CD2 3.49Å; M230-F233 HydrophobicContact CE-CE2 3.65Å; M230-F233 CarbonylContact O-C 3.46Å; M230-F233 VanDerWaalsContact O-C 3.31Å; M230-F233 VanDerWaalsContact O-CA 3.28Å; M230-F233 WeakPolarHBondContact O-CA 3.36Å; M230-F233 VanDerWaalsContact O-CB 3.32Å; M230-F233 WeakPolarHBondContact O-CB 3.34Å; M230-F233 PolarHBondContact O-N 3.22Å; M230-D234 WeakPolarHBondContact O-CB 3.47Å; M230-D234 PolarHBondContact O-N 3.5Å
231	Q	48.8	Very low	56	Low	55 Å²	55	63.8 Å²	63.8	26%	0.257	32%	0.316	S	S	.	.	H	α-helix	trans	-70.7	-17.3	171.7	-75.1	-174.6	-17.5	0	0	113.4	M227 Q228 S229 F233 N235	M227-Q231 VanDerWaalsContact CE-NE2 3.32Å; M227-Q231 HydrophobicContact CG-CG 4.21Å; M227-Q231 WeakPolarHBondContact O-CA 3.48Å; M227-Q231 WeakPolarHBondContact O-CB 3.38Å; M227-Q231 WeakPolarHBondContact O-CG 3.37Å; M227-Q231 PolarHBondContact O-N 3.29Å; Q228-Q231 CarbonylContact O-C 3.57Å; S229-Q231 PolarHBondContact O-N 3.3Å; Q231-F233 VanDerWaalsContact C-N 3.25Å; Q231-N235 VanDerWaalsContact O-CA 3.25Å; Q231-N235 WeakPolarHBondContact O-CA 3.47Å; Q231-N235 WeakPolarHBondContact O-CB 3.44Å; Q231-N235 PolarHBondContact O-N 2.95Å; Q231-N235 PolarHBondContact O-ND2 2.89Å
232	L	40.7	Very low	54.4	Low	83 Å²	83	61.1 Å²	61.1	44%	0.435	31%	0.306	S	S	.	.	H	α-helix	trans	-76.5	-25.9	166.8	-84.6	159.5	0	0	0	108.7	Q15 Q228 S229 M230 V236	Q15-L232 HydrophobicContact CG-CD2 4.33Å; Q228-L232 WeakPolarHBondContact O-CA 3.45Å; Q228-L232 WeakPolarHBondContact O-CB 3.35Å; Q228-L232 VanDerWaalsContact O-CD1 3.27Å; Q228-L232 WeakPolarHBondContact O-CD1 3.49Å; Q228-L232 WeakPolarHBondContact O-CG 3.47Å; Q228-L232 PolarHBondContact O-N 2.98Å; S229-L232 WeakPolarHBondContact O-CA 3.47Å; S229-L232 WeakPolarHBondContact O-CB 3.34Å; S229-L232 PolarHBondContact O-N 3.11Å; M230-L232 VanDerWaalsContact C-N 3.28Å; M230-L232 PolarHBondContact O-N 3.31Å; L232-V236 VanDerWaalsContact O-CB 3.29Å; L232-V236 WeakPolarHBondContact O-CB 3.43Å; L232-V236 WeakPolarHBondContact O-CG2 3.34Å; L232-V236 PolarHBondContact O-N 2.99Å
233	F	44.3	Very low	52.5	Low	46 Å²	46	56.4 Å²	56.4	20%	0.202	29%	0.288	C	S	.	.	H	α-helix	trans	-85.3	-23.8	169.3	-51.9	-61.2	0	0	0	112.8	M172 I175 S229 M230 Q231 V236	M172-F233 HydrophobicContact CE-CZ 4.31Å; M172-F233 HydrophobicContact SD-CZ 4.28Å; I175-F233 HydrophobicContact CD1-CD1 4.12Å; I175-F233 HydrophobicContact CD1-CE1 4.41Å; S229-F233 WeakPolarHBondContact O-CD2 3.3Å; S229-F233 WeakPolarHBondContact O-CE2 3.41Å; S229-F233 WeakPolarHBondContact O-CG 3.4Å; S229-F233 PolarHBondContact O-N 2.92Å; M230-F233 HydrophobicContact CE-CD2 3.49Å; M230-F233 VanDerWaalsContact CE-CD2 3.49Å; M230-F233 HydrophobicContact CE-CE2 3.65Å; M230-F233 CarbonylContact O-C 3.46Å; M230-F233 VanDerWaalsContact O-C 3.31Å; M230-F233 VanDerWaalsContact O-CA 3.28Å; M230-F233 WeakPolarHBondContact O-CA 3.36Å; M230-F233 VanDerWaalsContact O-CB 3.32Å; M230-F233 WeakPolarHBondContact O-CB 3.34Å; M230-F233 PolarHBondContact O-N 3.22Å; Q231-F233 VanDerWaalsContact C-N 3.25Å; F233-V236 WeakPolarHBondContact O-CB 3.08Å
234	D	38.6	Very low	50.8	Low	22 Å²	22	57.6 Å²	57.6	12%	0.118	29%	0.294	C	S	.	.	H	α-helix	trans	-96.1	-29	179.7	-115.9	11	0	0	0	113.3	M230 V236 I237	M230-D234 WeakPolarHBondContact O-CB 3.47Å; M230-D234 PolarHBondContact O-N 3.5Å; D234-V236 VanDerWaalsContact C-N 3.3Å; D234-I237 WeakPolarHBondContact O-CB 3.03Å; D234-I237 WeakPolarHBondContact O-CG1 3.38Å; D234-I237 PolarHBondContact O-N 3.38Å
235	N	30.6	Very low	49.2	Very low	70 Å²	70	50.9 Å²	50.9	37%	0.374	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	8.9	166.1	-54.7	-49.7	0	0	0	110.9	I19 Q231	I19-N235 VanDerWaalsContact CG1-O 3.24Å; I19-N235 WeakPolarHBondContact CG1-O 3.49Å; Q231-N235 VanDerWaalsContact O-CA 3.25Å; Q231-N235 WeakPolarHBondContact O-CA 3.47Å; Q231-N235 WeakPolarHBondContact O-CB 3.44Å; Q231-N235 PolarHBondContact O-N 2.95Å; Q231-N235 PolarHBondContact O-ND2 2.89Å
236	V	31.1	Very low	47.9	Very low	54 Å²	54	46.6 Å²	46.6	33%	0.327	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	3.9	146	153.3	0	0	0	0	110.4	V22 L232 F233 D234	V22-V236 WeakPolarHBondContact CG2-O 3.37Å; L232-V236 VanDerWaalsContact O-CB 3.29Å; L232-V236 WeakPolarHBondContact O-CB 3.43Å; L232-V236 WeakPolarHBondContact O-CG2 3.34Å; L232-V236 PolarHBondContact O-N 2.99Å; F233-V236 WeakPolarHBondContact O-CB 3.08Å; D234-V236 VanDerWaalsContact C-N 3.3Å
237	I	32.2	Very low	46	Very low	46 Å²	46	50.5 Å²	50.5	24%	0.236	26%	0.261	C	S	.	.			trans	-117	0	169.8	-35.2	169.3	0	0	0	111.2	V22 I139 W150 D234	V22-I237 VanDerWaalsContact CB-OXT 3.27Å; V22-I237 WeakPolarHBondContact CB-OXT 3.41Å; V22-I237 HydrophobicContact CG1-CG2 3.96Å; V22-I237 WeakPolarHBondContact CG1-OXT 3.43Å; I139-I237 HydrophobicContact CD1-CG2 4.42Å; I139-I237 HydrophobicContact CG2-CB 3.94Å; I139-I237 HydrophobicContact CG2-CD1 4.28Å; I139-I237 HydrophobicContact CG2-CG2 3.3Å; W150-I237 HydrophobicContact CE3-CD1 4.35Å; W150-I237 HydrophobicContact CH2-CD1 4.04Å; W150-I237 HydrophobicContact CZ3-CD1 3.52Å; D234-I237 WeakPolarHBondContact O-CB 3.03Å; D234-I237 WeakPolarHBondContact O-CG1 3.38Å; D234-I237 PolarHBondContact O-N 3.38Å

Retrieved 237 of 237 residues in 63.7 ms (Link to these results)

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