A0A077Z546_TRITR Loading...

Transmembrane 9 superfamily member

AlphaFold DB , UniProt , Accession A0A077Z546, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 607 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	58.5	Low	71.3	Confident	200 Å²	200	118.9 Å²	118.9	99%	0.985	62%	0.619	S	S	*	*				0	-47.3	0	-111.7	172	142.1	0	0	112.3	T4 C5	M1-T4 PolarHBondContact O-N 3.12Å; M1-T4 PolarHBondContact O-OG1 3.13Å; M1-C5 PolarHBondContact O-N 3.22Å; M1-C5 VanDerWaalsContact O-N 3.13Å
2	T	67.5	Low	70.8	Confident	121 Å²	121	122.3 Å²	122.3	74%	0.742	63%	0.626	S	S	*	*	H	α-helix	trans	-62.6	-43	177.8	39.3	0	0	0	0	114	T4 C5 L6	T2-T4 PolarHBondContact O-N 3.26Å; T2-C5 PolarHBondContact O-N 3.1Å; T2-L6 PolarHBondContact O-N 2.88Å
3	R	66.7	Low	70.3	Confident	223 Å²	223	122.5 Å²	122.5	84%	0.842	63%	0.629	S	S	*	*	H	α-helix	trans	-62.6	-37.3	177.2	-75.4	-173.7	174.5	-178	-1.6	113.9	L7	R3-L7 PolarHBondContact O-N 2.89Å
4	T	75.7	Confident	69.7	Low	94 Å²	94	121.4 Å²	121.4	58%	0.577	63%	0.631	S	S	*	*	H	α-helix	trans	-72.4	-38.6	176.5	31.5	0	0	0	0	112	M1 T2 L7 V8	M1-T4 PolarHBondContact O-N 3.12Å; M1-T4 PolarHBondContact O-OG1 3.13Å; T2-T4 PolarHBondContact O-N 3.26Å; T4-L7 PolarHBondContact O-N 2.96Å; T4-V8 WeakPolarHBondContact O-CG2 3.49Å; T4-V8 PolarHBondContact O-N 3.34Å
5	C	69.5	Low	68.6	Low	75 Å²	75	123.8 Å²	123.8	51%	0.507	64%	0.635	S	S	.	*	H	α-helix	trans	-63.9	-40.6	173.3	-73.9	0	0	0	0	112.3	M1 T2 L7 V8 I9	M1-C5 PolarHBondContact O-N 3.22Å; M1-C5 VanDerWaalsContact O-N 3.13Å; T2-C5 PolarHBondContact O-N 3.1Å; C5-L7 VanDerWaalsContact C-N 3.32Å; C5-L7 PolarHBondContact O-N 2.81Å; C5-V8 PolarHBondContact O-N 3.25Å; C5-I9 WeakPolarHBondContact O-CG1 3.41Å; C5-I9 PolarHBondContact O-N 3.03Å
6	L	76	Confident	67.7	Low	112 Å²	112	119.8 Å²	119.8	59%	0.586	62%	0.621	S	S	*	*	H	α-helix	trans	-62.6	-40.7	179.1	-145.4	98.2	0	0	0	111.6	T2 I9 I10	T2-L6 PolarHBondContact O-N 2.88Å; L6-I9 PolarHBondContact O-N 3.16Å; L6-I10 HydrophobicContact CD2-CD1 4Å; L6-I10 HydrophobicContact CG-CD1 4.39Å; L6-I10 WeakPolarHBondContact O-CB 3.33Å; L6-I10 VanDerWaalsContact O-CG1 3.24Å; L6-I10 WeakPolarHBondContact O-CG1 3.37Å; L6-I10 PolarHBondContact O-N 2.74Å
7	L	76.5	Confident	67	Low	113 Å²	113	119.8 Å²	119.8	59%	0.592	63%	0.634	S	S	*	*	H	α-helix	trans	-67.2	-37	179.9	-142.9	147.6	0	0	0	111.8	R3 T4 C5 L11	R3-L7 PolarHBondContact O-N 2.89Å; T4-L7 PolarHBondContact O-N 2.96Å; C5-L7 VanDerWaalsContact C-N 3.32Å; C5-L7 PolarHBondContact O-N 2.81Å; L7-L11 HydrophobicContact CD2-CD1 3.82Å; L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 PolarHBondContact O-N 2.78Å
8	V	75.1	Confident	66.3	Low	82 Å²	82	122.1 Å²	122.1	50%	0.497	65%	0.646	S	S	.	*	H	α-helix	trans	-67.4	-41.6	173.7	174.5	0	0	0	0	111.5	T4 C5 L11 F12	T4-V8 WeakPolarHBondContact O-CG2 3.49Å; T4-V8 PolarHBondContact O-N 3.34Å; C5-V8 PolarHBondContact O-N 3.25Å; V8-L11 PolarHBondContact O-N 3.12Å; V8-F12 HydrophobicContact CG1-CD2 4.06Å; V8-F12 HydrophobicContact CG1-CE2 4.37Å; V8-F12 PolarHBondContact O-N 3.46Å
9	I	74.9	Confident	65.2	Low	100 Å²	100	126.9 Å²	126.9	51%	0.513	66%	0.655	S	S	.	*	H	α-helix	trans	-67.4	-40.2	177.9	-66.7	167.3	0	0	0	111	C5 L6 F12 N13	C5-I9 WeakPolarHBondContact O-CG1 3.41Å; C5-I9 PolarHBondContact O-N 3.03Å; L6-I9 PolarHBondContact O-N 3.16Å; I9-F12 PolarHBondContact O-N 3.43Å; I9-N13 WeakPolarHBondContact CG2-ND2 3.34Å; I9-N13 PolarHBondContact O-N 3.15Å; I9-N13 PolarHBondContact O-ND2 3.12Å
10	I	74.6	Confident	64	Low	97 Å²	97	124.3 Å²	124.3	50%	0.497	66%	0.66	S	S	.	*	H	α-helix	trans	-62.9	-46.4	174.9	-68.7	165.5	0	0	0	109.9	L6 F12 N13 V14	L6-I10 HydrophobicContact CD2-CD1 4Å; L6-I10 HydrophobicContact CG-CD1 4.39Å; L6-I10 WeakPolarHBondContact O-CB 3.33Å; L6-I10 VanDerWaalsContact O-CG1 3.24Å; L6-I10 WeakPolarHBondContact O-CG1 3.37Å; L6-I10 PolarHBondContact O-N 2.74Å; I10-F12 VanDerWaalsContact C-N 3.3Å; I10-F12 PolarHBondContact O-N 3.05Å; I10-N13 PolarHBondContact O-N 3.16Å; I10-V14 HydrophobicContact CG2-CG2 4.42Å; I10-V14 VanDerWaalsContact O-CG2 3.27Å; I10-V14 WeakPolarHBondContact O-CG2 3.5Å; I10-V14 PolarHBondContact O-N 2.78Å; I10-V14 VanDerWaalsContact O-N 3.11Å
11	L	69.7	Low	63.3	Low	91 Å²	91	126.2 Å²	126.2	48%	0.476	66%	0.663	S	S	.	*	H	α-helix	trans	-56.4	-44.3	174.6	-87.3	158.1	0	0	0	111.7	L7 V8 N13 V14 F15	L7-L11 HydrophobicContact CD2-CD1 3.82Å; L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 PolarHBondContact O-N 2.78Å; V8-L11 PolarHBondContact O-N 3.12Å; L11-N13 PolarHBondContact O-N 3.33Å; L11-V14 PolarHBondContact O-N 2.79Å; L11-F15 HydrophobicContact CD2-CE2 4.45Å; L11-F15 WeakPolarHBondContact O-CD2 3.39Å
12	F	65	Low	62.8	Low	160 Å²	160	118.4 Å²	118.4	70%	0.702	62%	0.623	S	S	*	*	H	α-helix	trans	-66.7	-34	179	-101.8	-86.6	0	0	0	114	V8 I9 I10	V8-F12 HydrophobicContact CG1-CD2 4.06Å; V8-F12 HydrophobicContact CG1-CE2 4.37Å; V8-F12 PolarHBondContact O-N 3.46Å; I9-F12 PolarHBondContact O-N 3.43Å; I10-F12 VanDerWaalsContact C-N 3.3Å; I10-F12 PolarHBondContact O-N 3.05Å
13	N	64	Low	61.9	Low	124 Å²	124	117 Å²	117	66%	0.663	61%	0.61	S	S	*	*	H	α-helix	trans	-79.7	-19.7	178.7	-77.8	-79.9	0	0	0	113.6	I9 I10 L11 F15	I9-N13 WeakPolarHBondContact CG2-ND2 3.34Å; I9-N13 PolarHBondContact O-N 3.15Å; I9-N13 PolarHBondContact O-ND2 3.12Å; I10-N13 PolarHBondContact O-N 3.16Å; L11-N13 PolarHBondContact O-N 3.33Å; N13-F15 VanDerWaalsContact C-N 3.31Å
14	V	62.7	Low	61.1	Low	107 Å²	107	108.1 Å²	108.1	65%	0.648	58%	0.581	S	S	*	*	H	α-helix	trans	-74.2	-24.5	176.3	172.4	0	0	0	0	111.7	I10 L11 S16	I10-V14 HydrophobicContact CG2-CG2 4.42Å; I10-V14 VanDerWaalsContact O-CG2 3.27Å; I10-V14 WeakPolarHBondContact O-CG2 3.5Å; I10-V14 PolarHBondContact O-N 2.78Å; I10-V14 VanDerWaalsContact O-N 3.11Å; L11-V14 PolarHBondContact O-N 2.79Å; V14-S16 PolarHBondContact O-N 3.11Å
15	F	52.7	Low	60.2	Low	158 Å²	158	106.4 Å²	106.4	69%	0.693	58%	0.582	S	S	*	*			trans	-87.6	85	175.6	-67.8	-74.1	0	0	0	110.9	L11 N13 S17	L11-F15 HydrophobicContact CD2-CE2 4.45Å; L11-F15 WeakPolarHBondContact O-CD2 3.39Å; N13-F15 VanDerWaalsContact C-N 3.31Å; F15-S17 PolarHBondContact O-N 3.09Å
16	S	54.4	Low	60.1	Low	59 Å²	59	105 Å²	105	41%	0.413	57%	0.571	S	S	.	*			trans	-68.4	126.6	165.8	63.2	0	0	0	0	109.7	V14 D18 R19	V14-S16 PolarHBondContact O-N 3.11Å; S16-D18 PolarHBondContact O-N 3.15Å; S16-R19 PolarHBondContact O-N 2.93Å
17	S	55.3	Low	59.7	Low	121 Å²	121	106.8 Å²	106.8	85%	0.846	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-53.4	-26	-179.5	-46.4	0	0	0	0	114	F15 R19	F15-S17 PolarHBondContact O-N 3.09Å; S17-R19 PolarHBondContact O-N 3.42Å
18	D	53.9	Low	59.7	Low	160 Å²	160	104.7 Å²	104.7	86%	0.856	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-77.1	-4.3	-179.2	-60.7	-22.3	0	0	0	114.1	S16	S16-D18 PolarHBondContact O-N 3.15Å
19	R	46.1	Very low	59.9	Low	214 Å²	214	104 Å²	104	81%	0.808	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-118.1	38.7	179.9	-67.5	-172.4	178.1	174.5	1	112.9	S16 S17 F21	S16-R19 PolarHBondContact O-N 2.93Å; S17-R19 PolarHBondContact O-N 3.42Å; R19-F21 PolarHBondContact O-N 3.35Å
20	G	42.1	Very low	60.2	Low	74 Å²	74	107.9 Å²	107.9	76%	0.763	59%	0.586	S	S	*	*			trans	-61.6	100.1	164.8	0	0	0	0	0	109.8	Y22	G20-Y22 PolarHBondContact O-N 2.89Å
21	F	48.6	Very low	60.6	Low	166 Å²	166	106.3 Å²	106.3	73%	0.728	58%	0.575	S	S	*	*			trans	-83.3	112.7	173	-177	-100.7	0	0	0	108.8	R19 I23	R19-F21 PolarHBondContact O-N 3.35Å; F21-I23 HydrophobicContact CD1-CG1 3.85Å; F21-I23 HydrophobicContact CE1-CG1 3.95Å; F21-I23 PolarHBondContact O-N 3.41Å
22	Y	47.8	Very low	61.4	Low	36 Å²	36	106 Å²	106	14%	0.141	58%	0.581	C	S	.	*			trans	-69.5	120.6	169.4	-173.3	-101.5	0	0	0	108.3	G20 P24 S336 S338	G20-Y22 PolarHBondContact O-N 2.89Å; Y22-P24 HydrophobicContact CD1-CB 4.02Å; Y22-P24 HydrophobicContact CD1-CG 4.48Å; Y22-P24 HydrophobicContact CE1-CB 3.84Å; Y22-P24 WeakPolarHBondContact O-CD 3.48Å; Y22-S336 VanDerWaalsContact OH-CB 3.22Å; Y22-S336 WeakPolarHBondContact OH-CB 3.13Å; Y22-S336 PolarHBondContact OH-OG 3.05Å; Y22-S338 WeakPolarHBondContact OH-CB 3.41Å
23	I	47.9	Very low	62.4	Low	92 Å²	92	104 Å²	104	47%	0.472	57%	0.574	S	S	.	*			trans	-87.9	98.4	167.4	-56.7	174.1	0	0	0	106.4	F21 G25	F21-I23 HydrophobicContact CD1-CG1 3.85Å; F21-I23 HydrophobicContact CE1-CG1 3.95Å; F21-I23 PolarHBondContact O-N 3.41Å; I23-G25 PolarHBondContact O-N 3.13Å; I23-G25 VanDerWaalsContact O-N 3.16Å
24	P	49.9	Very low	63.3	Low	35 Å²	35	105 Å²	105	23%	0.227	57%	0.572	C	S	.	*			trans	-63.6	120.6	172.1	27.2	-33.1	0	0	0	107.9	Y22 V26 W228	Y22-P24 HydrophobicContact CD1-CB 4.02Å; Y22-P24 HydrophobicContact CD1-CG 4.48Å; Y22-P24 HydrophobicContact CE1-CB 3.84Å; Y22-P24 WeakPolarHBondContact O-CD 3.48Å; P24-V26 PolarHBondContact O-N 3.1Å; P24-W228 HydrophobicContact CB-CH2 4.11Å; P24-W228 HydrophobicContact CB-CZ3 3.74Å; P24-W228 HydrophobicContact CG-CZ3 3.87Å
25	G	57.5	Low	64.5	Low	58 Å²	58	101.2 Å²	101.2	60%	0.598	55%	0.55	S	S	*	*	S	Bend	trans	-68.8	9.2	173.3	0	0	0	0	0	114	I23	I23-G25 PolarHBondContact O-N 3.13Å; I23-G25 VanDerWaalsContact O-N 3.16Å
26	V	66.5	Low	66.1	Low	46 Å²	46	98.2 Å²	98.2	28%	0.279	55%	0.545	S	S	.	.	S	Bend	trans	-138.4	138.8	-173.9	-168.7	0	0	0	0	108.4	P24 W228	P24-V26 PolarHBondContact O-N 3.1Å; V26-W228 VanDerWaalsContact O-CH2 3.27Å; V26-W228 WeakPolarHBondContact O-CH2 3.36Å
27	L	69.1	Low	67.6	Low	149 Å²	149	95.6 Å²	95.6	78%	0.78	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-75.9	148.3	174.6	-71.1	166.7	0	0	0	110.9
28	P	76.1	Confident	69	Low	70 Å²	70	95.8 Å²	95.8	46%	0.455	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-63	136.5	172.2	27.3	-33.5	0	0	0	110.9	W228	P28-W228 VanDerWaalsContact CA-CZ2 3.46Å; P28-W228 HydrophobicContact CB-CD2 3.8Å; P28-W228 HydrophobicContact CB-CE3 4.27Å; P28-W228 HydrophobicContact CB-CG 4.1Å; P28-W228 HydrophobicContact CB-CH2 4.48Å; P28-W228 HydrophobicContact CB-CZ2 4.02Å
29	V	79.6	Confident	70.7	Confident	68 Å²	68	88.4 Å²	88.4	41%	0.412	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-98.8	120.2	168.4	-176.8	0	0	0	0	107.4	F31	V29-F31 HydrophobicContact CB-CE2 3.97Å; V29-F31 HydrophobicContact CB-CZ 4.2Å; V29-F31 HydrophobicContact CG1-CD2 4.27Å; V29-F31 HydrophobicContact CG1-CE1 4.03Å; V29-F31 HydrophobicContact CG1-CE2 3.69Å; V29-F31 HydrophobicContact CG1-CZ 3.55Å
30	E	81.5	Confident	72.8	Confident	180 Å²	180	80.5 Å²	80.5	84%	0.841	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-91.8	126.2	174.7	-66	-178.8	179.8	0	0	109.1
31	F	83.1	Confident	75.1	Confident	64 Å²	64	77 Å²	77	28%	0.281	41%	0.41	S	S	.	.			trans	-105.8	126.7	178.1	-67.9	-81.3	0	0	0	109	V29 S35 V37 M92 D134	V29-F31 HydrophobicContact CB-CE2 3.97Å; V29-F31 HydrophobicContact CB-CZ 4.2Å; V29-F31 HydrophobicContact CG1-CD2 4.27Å; V29-F31 HydrophobicContact CG1-CE1 4.03Å; V29-F31 HydrophobicContact CG1-CE2 3.69Å; V29-F31 HydrophobicContact CG1-CZ 3.55Å; F31-S35 WeakPolarHBondContact CB-OG 3.36Å; F31-V37 HydrophobicContact CD1-CG2 3.9Å; F31-V37 HydrophobicContact CE1-CB 4.49Å; F31-V37 HydrophobicContact CE1-CG1 4.34Å; F31-V37 HydrophobicContact CE1-CG2 4.1Å; F31-V37 HydrophobicContact CG-CG2 4.23Å; F31-V37 HydrophobicContact CZ-CG1 4.23Å; F31-M92 HydrophobicContact CB-CB 4.26Å; F31-M92 HydrophobicContact CB-CG 3.86Å; F31-M92 HydrophobicContact CB-SD 3.92Å; F31-D134 HydrophobicContact CE2-CB 4.21Å
32	S	85.9	Confident	77.1	Confident	85 Å²	85	69.1 Å²	69.1	59%	0.594	38%	0.376	S	S	*	.			trans	-74.1	157.3	170	56.1	0	0	0	0	110.7	K34 S35 M92	S32-K34 PolarHBondContact O-N 2.98Å; S32-S35 PolarHBondContact N-OG 3.25Å; S32-S35 VanDerWaalsContact O-CB 3.25Å; S32-S35 WeakPolarHBondContact O-CB 3.46Å; S32-S35 PolarHBondContact O-N 3.34Å; S32-S35 PolarHBondContact O-OG 2.92Å; S32-S35 WeakPolarHBondContact OG-CB 3.4Å; S32-M92 WeakPolarHBondContact O-CB 3.24Å
33	E	84.9	Confident	79.2	Confident	117 Å²	117	68 Å²	68	55%	0.547	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	134.5	173.9	-175.3	158.8	-161	0	0	110.5	S35 K93	E33-S35 PolarHBondContact O-N 3.38Å; E33-K93 HydrophobicContact CG-CB 4.39Å; E33-K93 HydrophobicContact CG-CD 4.22Å; E33-K93 WeakPolarHBondContact OE1-CD 3.19Å; E33-K93 WeakPolarHBondContact OE1-CE 3.28Å; E33-K93 IonicContact OE1-NZ 3.03Å; E33-K93 PolarHBondContact OE1-NZ 3.49Å; E33-K93 IonicContact OE2-NZ 3.95Å; E33-K93 PolarHBondContact OE2-NZ 3.46Å
34	K	84.1	Confident	81.3	Confident	147 Å²	147	63.7 Å²	63.7	64%	0.639	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	4.3	-172.5	-55.5	178.2	178	-178.6	0	116.5	S32 M92	S32-K34 PolarHBondContact O-N 2.98Å; K34-M92 PolarHBondContact N-O 3.03Å
35	S	87	Confident	83.3	Confident	27 Å²	27	62.4 Å²	62.4	19%	0.189	34%	0.341	C	S	.	.			trans	-65.1	146	169.1	63.1	0	0	0	0	110.9	F31 S32 E33 R91 M92	F31-S35 WeakPolarHBondContact CB-OG 3.36Å; S32-S35 PolarHBondContact N-OG 3.25Å; S32-S35 VanDerWaalsContact O-CB 3.25Å; S32-S35 WeakPolarHBondContact O-CB 3.46Å; S32-S35 PolarHBondContact O-N 3.34Å; S32-S35 PolarHBondContact O-OG 2.92Å; S32-S35 WeakPolarHBondContact OG-CB 3.4Å; E33-S35 PolarHBondContact O-N 3.38Å; S35-R91 CarbonylContact O-C 3.5Å; S35-R91 WeakPolarHBondContact O-CA 3.2Å; S35-M92 PolarHBondContact O-N 3.26Å
36	T	86.8	Confident	84.8	Confident	94 Å²	94	59.7 Å²	59.7	58%	0.577	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	127.1	178.6	49.4	0	0	0	0	110.5	V90 R91	T36-V90 CarbonylContact C-O 3.34Å; T36-V90 VanDerWaalsContact CA-O 3.28Å; T36-V90 WeakPolarHBondContact CA-O 3.4Å; T36-R91 HydrophobicContact CG2-CG 4.48Å
37	V	85.4	Confident	85.7	Confident	5 Å²	5	60 Å²	60	3%	0.03	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.2	174.3	-172.9	0	0	0	0	108.3	F31 V39 V90 M92 V133 W221	F31-V37 HydrophobicContact CD1-CG2 3.9Å; F31-V37 HydrophobicContact CE1-CB 4.49Å; F31-V37 HydrophobicContact CE1-CG1 4.34Å; F31-V37 HydrophobicContact CE1-CG2 4.1Å; F31-V37 HydrophobicContact CG-CG2 4.23Å; F31-V37 HydrophobicContact CZ-CG1 4.23Å; V37-V39 PolarHBondContact O-N 3.04Å; V37-V90 HydrophobicContact CB-CG1 4.27Å; V37-V90 PolarHBondContact N-O 3.14Å; V37-M92 HydrophobicContact CG2-CB 4.21Å; V37-M92 HydrophobicContact CG2-SD 4.32Å; V37-V133 HydrophobicContact CG1-CG1 3.42Å; V37-V133 VanDerWaalsContact CG1-CG1 3.42Å; V37-W221 HydrophobicContact CG2-CH2 4.06Å; V37-W221 HydrophobicContact CG2-CZ2 4.4Å
38	E	86	Confident	86.6	Confident	125 Å²	125	54.8 Å²	54.8	58%	0.584	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	127.8	-179.2	-66.9	-179.8	175.9	0	0	111.7	K40	E38-K40 WeakPolarHBondContact OE2-CE 3.41Å; E38-K40 IonicContact OE2-NZ 3.99Å; E38-K40 PolarHBondContact OE2-NZ 3.29Å
39	V	87.9	Confident	87	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.03	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.1	167.5	-170.4	0	0	0	0	108.3	V37 T86 F88 V90 L131 V133 F183	V37-V39 PolarHBondContact O-N 3.04Å; V39-T86 PolarHBondContact O-OG1 2.95Å; V39-F88 HydrophobicContact CB-CB 3.83Å; V39-F88 HydrophobicContact CB-CD2 4.01Å; V39-F88 HydrophobicContact CB-CG 4.3Å; V39-F88 HydrophobicContact CG1-CB 4.4Å; V39-F88 HydrophobicContact CG1-CD2 3.7Å; V39-F88 HydrophobicContact CG1-CE2 4.46Å; V39-F88 HydrophobicContact CG1-CG 4.33Å; V39-F88 HydrophobicContact CG2-CB 3.73Å; V39-F88 HydrophobicContact CG2-CG 4.43Å; V39-V90 HydrophobicContact CG2-CG2 4.15Å; V39-L131 HydrophobicContact CG1-CB 4.38Å; V39-L131 HydrophobicContact CG1-CD1 4.16Å; V39-V133 HydrophobicContact CB-CG2 4.26Å; V39-V133 HydrophobicContact CG1-CG2 3.92Å; V39-V133 HydrophobicContact CG2-CG2 4.03Å; V39-F183 HydrophobicContact CB-CZ 4.44Å; V39-F183 HydrophobicContact CG1-CZ 4.45Å; V39-F183 HydrophobicContact CG2-CE1 3.46Å; V39-F183 VanDerWaalsContact CG2-CE1 3.46Å; V39-F183 HydrophobicContact CG2-CE2 4.22Å; V39-F183 HydrophobicContact CG2-CZ 3.2Å
40	K	90.4	Very high	87.2	Confident	47 Å²	47	50 Å²	50	20%	0.204	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.6	178.1	-61.7	-178.3	-177.5	178.8	0	109	E38 I83 V84 L131 L132	E38-K40 WeakPolarHBondContact OE2-CE 3.41Å; E38-K40 IonicContact OE2-NZ 3.99Å; E38-K40 PolarHBondContact OE2-NZ 3.29Å; K40-I83 HydrophobicContact CB-CG2 3.95Å; K40-I83 HydrophobicContact CD-CG2 4Å; K40-V84 CarbonylContact C-O 3.55Å; K40-V84 WeakPolarHBondContact CA-O 3.46Å; K40-V84 WeakPolarHBondContact CB-O 3.31Å; K40-L131 CarbonylContact O-C 3.57Å; K40-L131 WeakPolarHBondContact O-CA 3.39Å; K40-L132 HydrophobicContact CB-CB 4.27Å; K40-L132 HydrophobicContact CB-CD2 4.45Å; K40-L132 PolarHBondContact N-O 3.41Å; K40-L132 PolarHBondContact O-N 3.16Å
41	A	90.7	Very high	87.5	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	150.6	170.8	0	0	0	0	0	109.8	Y55 I83 V84 T86 L131	A41-Y55 HydrophobicContact CB-CD1 3.35Å; A41-Y55 HydrophobicContact CB-CD2 3.64Å; A41-Y55 HydrophobicContact CB-CE1 3.81Å; A41-Y55 HydrophobicContact CB-CE2 4.09Å; A41-Y55 HydrophobicContact CB-CG 3.24Å; A41-I83 VanDerWaalsContact O-CA 3.31Å; A41-I83 WeakPolarHBondContact O-CA 3.29Å; A41-V84 HydrophobicContact CB-CG1 3.96Å; A41-V84 PolarHBondContact N-O 3.11Å; A41-V84 PolarHBondContact O-N 2.72Å; A41-T86 HydrophobicContact CB-CG2 3.63Å; A41-L131 HydrophobicContact CB-CD2 3.78Å
42	I	90.9	Very high	87.8	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-59.3	-179.7	-52.7	176	0	0	0	111.1	D81 R82 H130 L132	I42-D81 HydrophobicContact CG2-CB 3.72Å; I42-R82 CarbonylContact O-C 3.45Å; I42-R82 PolarHBondContact O-N 3.17Å; I42-H130 HydrophobicContact CB-CB 4.16Å; I42-H130 HydrophobicContact CD1-CB 4.42Å; I42-H130 PolarHBondContact N-O 3.19Å; I42-L132 HydrophobicContact CD1-CB 4.04Å; I42-L132 HydrophobicContact CD1-CD1 4.12Å; I42-L132 HydrophobicContact CG1-CB 4.07Å
43	K	92.2	Very high	88.1	Confident	14 Å²	14	35.8 Å²	35.8	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	170.2	-174.6	64.4	-168	-170.3	-166.3	0	111.3	T45 P52 F53 R79 G80 D81 H130	K43-T45 HydrophobicContact CD-CG2 4.1Å; K43-T45 HydrophobicContact CG-CG2 3.97Å; K43-P52 HydrophobicContact CD-CB 3.98Å; K43-F53 CarbonylContact C-O 3.57Å; K43-F53 WeakPolarHBondContact CA-O 3.19Å; K43-F53 VanDerWaalsContact CB-O 3.31Å; K43-F53 WeakPolarHBondContact CB-O 3.34Å; K43-R79 PolarHBondContact NZ-O 3.21Å; K43-G80 VanDerWaalsContact CD-O 3.28Å; K43-G80 WeakPolarHBondContact CD-O 3.26Å; K43-D81 WeakPolarHBondContact CD-OD1 3.17Å; K43-D81 WeakPolarHBondContact CE-OD1 3.19Å; K43-D81 IonicContact NZ-OD1 3.01Å; K43-D81 PolarHBondContact NZ-OD1 3.27Å; K43-H130 WeakPolarHBondContact O-CB 3.37Å; K43-H130 PolarHBondContact O-CD2 3.32Å; K43-H130 PolarHBondContact O-N 2.88Å
44	L	91.3	Very high	88.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.2	167.4	-52.2	174.5	0	0	0	109	P52 F53 Y55 L58 F60 Y127 R128 V129	L44-P52 CarbonylContact O-C 3.48Å; L44-P52 WeakPolarHBondContact O-CA 3.37Å; L44-F53 HydrophobicContact CB-CB 4.25Å; L44-F53 HydrophobicContact CD1-CB 4.35Å; L44-F53 PolarHBondContact N-O 3.35Å; L44-F53 PolarHBondContact O-N 2.91Å; L44-Y55 HydrophobicContact CD2-CD2 4.41Å; L44-L58 HydrophobicContact CD1-CD1 3.47Å; L44-L58 VanDerWaalsContact CD1-CD1 3.47Å; L44-L58 HydrophobicContact CD1-CG 3.72Å; L44-F60 HydrophobicContact CD1-CE2 4.39Å; L44-F60 HydrophobicContact CD2-CE2 4.1Å; L44-F60 HydrophobicContact CD2-CZ 4.37Å; L44-Y127 HydrophobicContact CB-CD1 3.74Å; L44-Y127 HydrophobicContact CB-CE1 4.32Å; L44-R128 CarbonylContact C-O 3.42Å; L44-R128 WeakPolarHBondContact CA-O 3.3Å; L44-V129 HydrophobicContact CD2-CB 4.08Å; L44-V129 HydrophobicContact CD2-CG1 4.21Å; L44-V129 HydrophobicContact CD2-CG2 3.61Å
45	T	91.5	Very high	88.8	Confident	8 Å²	8	25 Å²	25	5%	0.049	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.2	173.2	67.9	0	0	0	0	111.4	K43 P52 Y127 R128 H130 N493	K43-T45 HydrophobicContact CD-CG2 4.1Å; K43-T45 HydrophobicContact CG-CG2 3.97Å; T45-P52 HydrophobicContact CG2-CB 4.34Å; T45-Y127 VanDerWaalsContact C-CD1 3.43Å; T45-Y127 CarbonylContact O-C 3.52Å; T45-Y127 WeakPolarHBondContact O-CA 3.38Å; T45-R128 PolarHBondContact N-O 2.89Å; T45-R128 PolarHBondContact O-N 3.14Å; T45-H130 PolarHBondContact OG1-NE2 2.88Å; T45-N493 WeakPolarHBondContact CB-ND2 3.36Å; T45-N493 PolarHBondContact OG1-ND2 3.31Å; T45-N493 VanDerWaalsContact OG1-ND2 3.17Å
46	S	90.3	Very high	88.9	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.4	170.9	162.4	0	0	0	0	111	K48 T49 Q50 E125	S46-K48 VanDerWaalsContact C-N 3.26Å; S46-K48 WeakPolarHBondContact OG-CB 3.34Å; S46-K48 PolarHBondContact OG-N 3.42Å; S46-T49 WeakPolarHBondContact CB-OG1 3.38Å; S46-T49 PolarHBondContact OG-N 3.39Å; S46-Q50 PolarHBondContact O-N 3.02Å; S46-Q50 VanDerWaalsContact O-N 3.08Å; S46-E125 VanDerWaalsContact CB-O 3.32Å; S46-E125 WeakPolarHBondContact CB-O 3.24Å; S46-E125 PolarHBondContact OG-O 2.84Å
47	V	85.5	Confident	88.9	Confident	53 Å²	53	22.1 Å²	22.1	32%	0.321	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-23.4	171.1	-176.6	0	0	0	0	111.2	Q50 M561	V47-Q50 VanDerWaalsContact CA-NE2 3.34Å; V47-Q50 PolarHBondContact O-NE2 2.81Å; V47-M561 VanDerWaalsContact O-SD 3.4Å
48	K	86.3	Confident	88.8	Confident	39 Å²	39	22.1 Å²	22.1	17%	0.17	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-36.1	178.7	-66.8	-174.6	177.3	167.4	0	113.3	S46 K124 E126 M561 V562	S46-K48 VanDerWaalsContact C-N 3.26Å; S46-K48 WeakPolarHBondContact OG-CB 3.34Å; S46-K48 PolarHBondContact OG-N 3.42Å; K48-K124 PolarHBondContact NZ-O 3.43Å; K48-E126 HydrophobicContact CD-CB 4.4Å; K48-E126 HydrophobicContact CD-CG 4.39Å; K48-E126 WeakPolarHBondContact CE-OE1 3.47Å; K48-E126 WeakPolarHBondContact CE-OE2 3.41Å; K48-E126 IonicContact NZ-OE1 4Å; K48-E126 PolarHBondContact NZ-OE1 2.95Å; K48-E126 IonicContact NZ-OE2 3.42Å; K48-M561 CarbonylContact O-C 3.59Å; K48-M561 WeakPolarHBondContact O-CA 3.27Å; K48-V562 HydrophobicContact CB-CG2 4.23Å; K48-V562 HydrophobicContact CD-CG2 4.39Å; K48-V562 PolarHBondContact O-N 3.15Å
49	T	85.5	Confident	88.4	Confident	8 Å²	8	17 Å²	17	5%	0.049	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-22.1	-174.3	58.8	0	0	0	0	113.1	S46 L51 E125 Y127 A566	S46-T49 WeakPolarHBondContact CB-OG1 3.38Å; S46-T49 PolarHBondContact OG-N 3.39Å; T49-L51 PolarHBondContact O-N 2.92Å; T49-E125 HydrophobicContact CG2-CB 4.14Å; T49-E125 HydrophobicContact CG2-CG 4.01Å; T49-Y127 HydrophobicContact CG2-CE2 4.21Å; T49-Y127 WeakPolarHBondContact OG1-CE2 3.45Å; T49-Y127 PolarHBondContact OG1-OH 3.25Å; T49-A566 WeakPolarHBondContact O-CB 3.23Å
50	Q	83	Confident	88.2	Confident	30 Å²	30	17.1 Å²	17.1	14%	0.14	10%	0.095	C	C	.	.			trans	53.5	14.7	-175.2	-55.4	-63	-37.5	0	0	115.3	S46 V47 P52 W491 M561	S46-Q50 PolarHBondContact O-N 3.02Å; S46-Q50 VanDerWaalsContact O-N 3.08Å; V47-Q50 VanDerWaalsContact CA-NE2 3.34Å; V47-Q50 PolarHBondContact O-NE2 2.81Å; Q50-P52 WeakPolarHBondContact O-CD 3.37Å; Q50-W491 HydrophobicContact CG-CE3 4.29Å; Q50-W491 PolarHBondContact NE2-O 3.12Å; Q50-W491 PolarHBondContact OE1-O 3.17Å; Q50-M561 HydrophobicContact CB-CE 4.42Å; Q50-M561 HydrophobicContact CG-CE 3.08Å; Q50-M561 HydrophobicContact CG-SD 3.42Å; Q50-M561 WeakPolarHBondContact CG-SD 3.35Å
51	L	87.8	Confident	87.7	Confident	12 Å²	12	15.3 Å²	15.3	6%	0.063	9%	0.088	C	C	.	.			trans	-99.9	109.5	174.7	-72.6	172.8	0	0	0	107.3	T49 F53 Y127 Q403 A405 L569	T49-L51 PolarHBondContact O-N 2.92Å; L51-F53 HydrophobicContact CB-CE2 4.4Å; L51-F53 HydrophobicContact CB-CZ 4.17Å; L51-Y127 VanDerWaalsContact O-CE1 3.29Å; L51-Y127 WeakPolarHBondContact O-CE1 3.26Å; L51-Y127 PolarHBondContact O-OH 3.2Å; L51-Q403 HydrophobicContact CD1-CB 4.2Å; L51-Q403 HydrophobicContact CD1-CG 4.24Å; L51-A405 HydrophobicContact CD2-CB 3.93Å; L51-L569 HydrophobicContact CD2-CD1 3.5Å
52	P	91	Very high	87.4	Confident	11 Å²	11	22.1 Å²	22.1	7%	0.071	11%	0.114	C	C	.	.			trans	-70.9	144.4	172	29.2	-31.7	0	0	0	109.6	K43 L44 T45 Q50 A405 S406 N407	K43-P52 HydrophobicContact CD-CB 3.98Å; L44-P52 CarbonylContact O-C 3.48Å; L44-P52 WeakPolarHBondContact O-CA 3.37Å; T45-P52 HydrophobicContact CG2-CB 4.34Å; Q50-P52 WeakPolarHBondContact O-CD 3.37Å; P52-A405 CarbonylContact O-C 3.57Å; P52-A405 WeakPolarHBondContact O-CA 3.42Å; P52-S406 WeakPolarHBondContact O-CB 3.45Å; P52-S406 PolarHBondContact O-N 3.37Å; P52-N407 HydrophobicContact CG-CB 3.63Å
53	F	92.1	Very high	87.1	Confident	7 Å²	7	23.3 Å²	23.3	3%	0.031	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-121.6	153.6	172.5	-67.9	-62.2	0	0	0	110.7	K43 L44 L51 R122 Y127 Q403 H404 A405	K43-F53 CarbonylContact C-O 3.57Å; K43-F53 WeakPolarHBondContact CA-O 3.19Å; K43-F53 VanDerWaalsContact CB-O 3.31Å; K43-F53 WeakPolarHBondContact CB-O 3.34Å; L44-F53 HydrophobicContact CB-CB 4.25Å; L44-F53 HydrophobicContact CD1-CB 4.35Å; L44-F53 PolarHBondContact N-O 3.35Å; L44-F53 PolarHBondContact O-N 2.91Å; L51-F53 HydrophobicContact CB-CE2 4.4Å; L51-F53 HydrophobicContact CB-CZ 4.17Å; F53-R122 VanDerWaalsContact CE2-NH2 3.29Å; F53-R122 VanDerWaalsContact CZ-NH2 3.29Å; F53-Y127 HydrophobicContact CD2-CD1 4.44Å; F53-Y127 AromaticContact CD2-CE1 3.51Å; F53-Y127 HydrophobicContact CD2-CE1 3.51Å; F53-Y127 HydrophobicContact CD2-CE2 4.44Å; F53-Y127 AromaticContact CD2-CZ 3.51Å; F53-Y127 WeakPolarHBondContact CD2-OH 3.38Å; F53-Y127 HydrophobicContact CE2-CE1 4.02Å; F53-Y127 HydrophobicContact CE2-CE2 4.29Å; F53-Y127 AromaticContact CE2-CZ 3.5Å; F53-Y127 VanDerWaalsContact CE2-CZ 3.5Å; F53-Y127 WeakPolarHBondContact CE2-OH 3.32Å; F53-Q403 VanDerWaalsContact CE1-O 3.29Å; F53-Q403 WeakPolarHBondContact CE1-O 3.3Å; F53-H404 WeakPolarHBondContact CD1-O 3.46Å; F53-A405 HydrophobicContact CE1-CB 4.41Å
54	D	91.5	Very high	86.3	Confident	35 Å²	35	29.3 Å²	29.3	19%	0.187	16%	0.159	C	C	.	.			trans	-62.2	150.3	174.4	-168.4	7.8	0	0	0	109.3	S57 Y69	D54-S57 VanDerWaalsContact O-CB 3.23Å; D54-S57 WeakPolarHBondContact O-CB 3.48Å; D54-S57 PolarHBondContact O-N 2.62Å; D54-S57 VanDerWaalsContact O-N 3.17Å; D54-S57 PolarHBondContact O-OG 3.4Å; D54-Y69 PolarHBondContact OD2-OH 3.04Å
55	Y	91.2	Very high	85.6	Confident	3 Å²	3	36 Å²	36	1%	0.012	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-56.8	-53.9	179	178	-109.9	0	0	0	110.9	A41 L44 S57 L58 F60 T86 V129 L131	A41-Y55 HydrophobicContact CB-CD1 3.35Å; A41-Y55 HydrophobicContact CB-CD2 3.64Å; A41-Y55 HydrophobicContact CB-CE1 3.81Å; A41-Y55 HydrophobicContact CB-CE2 4.09Å; A41-Y55 HydrophobicContact CB-CG 3.24Å; L44-Y55 HydrophobicContact CD2-CD2 4.41Å; Y55-S57 PolarHBondContact O-N 3.26Å; Y55-L58 PolarHBondContact O-N 2.74Å; Y55-F60 HydrophobicContact CD1-CD2 4.36Å; Y55-F60 HydrophobicContact CD2-CD2 4.01Å; Y55-F60 AromaticContact CD2-CE2 3.91Å; Y55-F60 HydrophobicContact CD2-CE2 3.91Å; Y55-F60 HydrophobicContact CE1-CB 4.07Å; Y55-F60 HydrophobicContact CE1-CD2 4.17Å; Y55-F60 HydrophobicContact CE1-CG 4.24Å; Y55-F60 HydrophobicContact CE2-CD1 4.48Å; Y55-F60 AromaticContact CE2-CD2 3.77Å; Y55-F60 HydrophobicContact CE2-CD2 3.77Å; Y55-F60 HydrophobicContact CE2-CE1 4.49Å; Y55-F60 AromaticContact CE2-CE2 3.76Å; Y55-F60 HydrophobicContact CE2-CE2 3.76Å; Y55-F60 HydrophobicContact CE2-CG 4.14Å; Y55-F60 HydrophobicContact CE2-CZ 4.14Å; Y55-F60 HydrophobicContact CG-CD2 4.31Å; Y55-F60 AromaticContact CZ-CD2 3.87Å; Y55-F60 AromaticContact CZ-CG 3.85Å; Y55-F60 WeakPolarHBondContact O-CD2 3.31Å; Y55-F60 WeakPolarHBondContact O-CE2 3.4Å; Y55-T86 HydrophobicContact CE1-CG2 4.36Å; Y55-V129 HydrophobicContact CD2-CG1 3.8Å; Y55-V129 HydrophobicContact CE2-CG1 3.52Å; Y55-L131 HydrophobicContact CE2-CD2 4.25Å
56	Y	90.6	Very high	85.3	Confident	14 Å²	14	40.6 Å²	40.6	6%	0.055	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-76.1	12.3	179.3	-64.8	-65.7	0	0	0	114.9	L58 F60 C61 R62 P63 L67 V84 N85	Y56-L58 CarbonylContact C-O 3.57Å; Y56-F60 HydrophobicContact CD1-CB 4.4Å; Y56-C61 WeakPolarHBondContact CE1-O 3.42Å; Y56-R62 HydrophobicContact CD1-CG 3.83Å; Y56-R62 HydrophobicContact CE1-CB 4.44Å; Y56-R62 HydrophobicContact CE1-CG 3.85Å; Y56-P63 WeakPolarHBondContact OH-CD 3.38Å; Y56-L67 HydrophobicContact CD2-CD1 4.3Å; Y56-L67 HydrophobicContact CD2-CD2 3.66Å; Y56-L67 HydrophobicContact CE1-CD2 4.3Å; Y56-L67 HydrophobicContact CE2-CD2 3.23Å; Y56-L67 HydrophobicContact CG-CD2 4.35Å; Y56-V84 HydrophobicContact CD2-CG1 3.78Å; Y56-V84 HydrophobicContact CD2-CG2 4.06Å; Y56-V84 HydrophobicContact CE2-CB 4.12Å; Y56-V84 HydrophobicContact CE2-CG1 3.41Å; Y56-V84 VanDerWaalsContact CE2-CG1 3.41Å; Y56-V84 HydrophobicContact CE2-CG2 3.59Å; Y56-N85 PolarHBondContact OH-O 3.17Å
57	S	86.4	Confident	85.1	Confident	47 Å²	47	43.2 Å²	43.2	33%	0.329	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-67.6	-25.4	167.4	67.1	0	0	0	0	111.9	D54 Y55	D54-S57 VanDerWaalsContact O-CB 3.23Å; D54-S57 WeakPolarHBondContact O-CB 3.48Å; D54-S57 PolarHBondContact O-N 2.62Å; D54-S57 VanDerWaalsContact O-N 3.17Å; D54-S57 PolarHBondContact O-OG 3.4Å; Y55-S57 PolarHBondContact O-N 3.26Å
58	L	82.9	Confident	85.2	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.021	24%	0.238	C	C	.	.	S	Bend	trans	-94	157.9	167.4	-65	177.9	0	0	0	109.9	L44 Y55 Y56 F60 L118 M119 R122 L158	L44-L58 HydrophobicContact CD1-CD1 3.47Å; L44-L58 VanDerWaalsContact CD1-CD1 3.47Å; L44-L58 HydrophobicContact CD1-CG 3.72Å; Y55-L58 PolarHBondContact O-N 2.74Å; Y56-L58 CarbonylContact C-O 3.57Å; L58-F60 HydrophobicContact CB-CD2 3.77Å; L58-F60 HydrophobicContact CB-CE2 3.59Å; L58-F60 HydrophobicContact CB-CZ 4.24Å; L58-F60 HydrophobicContact CD1-CE2 3.82Å; L58-F60 HydrophobicContact CD1-CZ 3.91Å; L58-F60 HydrophobicContact CG-CE2 4.21Å; L58-F60 PolarHBondContact O-N 2.94Å; L58-L118 HydrophobicContact CD2-CD2 4.16Å; L58-L118 HydrophobicContact CD2-CG 3.96Å; L58-M119 HydrophobicContact CB-CE 4.38Å; L58-M119 HydrophobicContact CD2-CB 4.31Å; L58-R122 HydrophobicContact CD1-CB 4.46Å; L58-R122 HydrophobicContact CD1-CG 4.47Å; L58-R122 HydrophobicContact CD2-CG 3.98Å; L58-L158 HydrophobicContact CD1-CD1 3.84Å; L58-L158 HydrophobicContact CD1-CD2 3.46Å; L58-L158 VanDerWaalsContact CD1-CD2 3.46Å; L58-L158 HydrophobicContact CD1-CG 4.31Å
59	G	78.5	Confident	85.3	Confident	17 Å²	17	49 Å²	49	18%	0.175	25%	0.25	C	C	.	.			trans	-71.4	43.5	179.6	0	0	0	0	0	114.8	L111	G59-L111 WeakPolarHBondContact O-CD2 3.33Å
60	F	82.2	Confident	85.2	Confident	8 Å²	8	53.1 Å²	53.1	4%	0.035	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-65	155.7	172.4	-65.3	-67.8	0	0	0	111.8	L44 Y55 Y56 L58 R62 V129 L158 W215	L44-F60 HydrophobicContact CD1-CE2 4.39Å; L44-F60 HydrophobicContact CD2-CE2 4.1Å; L44-F60 HydrophobicContact CD2-CZ 4.37Å; Y55-F60 HydrophobicContact CD1-CD2 4.36Å; Y55-F60 HydrophobicContact CD2-CD2 4.01Å; Y55-F60 AromaticContact CD2-CE2 3.91Å; Y55-F60 HydrophobicContact CD2-CE2 3.91Å; Y55-F60 HydrophobicContact CE1-CB 4.07Å; Y55-F60 HydrophobicContact CE1-CD2 4.17Å; Y55-F60 HydrophobicContact CE1-CG 4.24Å; Y55-F60 HydrophobicContact CE2-CD1 4.48Å; Y55-F60 AromaticContact CE2-CD2 3.77Å; Y55-F60 HydrophobicContact CE2-CD2 3.77Å; Y55-F60 HydrophobicContact CE2-CE1 4.49Å; Y55-F60 AromaticContact CE2-CE2 3.76Å; Y55-F60 HydrophobicContact CE2-CE2 3.76Å; Y55-F60 HydrophobicContact CE2-CG 4.14Å; Y55-F60 HydrophobicContact CE2-CZ 4.14Å; Y55-F60 HydrophobicContact CG-CD2 4.31Å; Y55-F60 AromaticContact CZ-CD2 3.87Å; Y55-F60 AromaticContact CZ-CG 3.85Å; Y55-F60 WeakPolarHBondContact O-CD2 3.31Å; Y55-F60 WeakPolarHBondContact O-CE2 3.4Å; Y56-F60 HydrophobicContact CD1-CB 4.4Å; L58-F60 HydrophobicContact CB-CD2 3.77Å; L58-F60 HydrophobicContact CB-CE2 3.59Å; L58-F60 HydrophobicContact CB-CZ 4.24Å; L58-F60 HydrophobicContact CD1-CE2 3.82Å; L58-F60 HydrophobicContact CD1-CZ 3.91Å; L58-F60 HydrophobicContact CG-CE2 4.21Å; L58-F60 PolarHBondContact O-N 2.94Å; F60-R62 PolarHBondContact O-N 3.19Å; F60-V129 HydrophobicContact CZ-CG2 4.1Å; F60-L158 HydrophobicContact CE1-CD1 3.97Å; F60-L158 HydrophobicContact CZ-CD1 3.49Å; F60-L158 VanDerWaalsContact CZ-CD1 3.49Å; F60-W215 HydrophobicContact CD1-CE3 4.3Å; F60-W215 AromaticContact CD1-CH2 3.26Å; F60-W215 HydrophobicContact CD1-CH2 3.26Å; F60-W215 AromaticContact CD1-CZ2 3.71Å; F60-W215 HydrophobicContact CD1-CZ2 3.71Å; F60-W215 AromaticContact CD1-CZ3 3.57Å; F60-W215 HydrophobicContact CD1-CZ3 3.57Å; F60-W215 AromaticContact CE1-CH2 3.49Å; F60-W215 HydrophobicContact CE1-CH2 3.49Å; F60-W215 VanDerWaalsContact CE1-CH2 3.49Å; F60-W215 HydrophobicContact CE1-CZ2 4.35Å; F60-W215 AromaticContact CE1-CZ3 3.71Å; F60-W215 HydrophobicContact CE1-CZ3 3.71Å; F60-W215 HydrophobicContact CG-CH2 4.37Å; F60-W215 HydrophobicContact CG-CZ2 4.49Å
61	C	80.2	Confident	84.9	Confident	9 Å²	9	61.1 Å²	61.1	6%	0.061	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-56.2	124.9	172.8	167.9	0	0	0	0	111.3	Y56 P87 L101 C102 W215	Y56-C61 WeakPolarHBondContact CE1-O 3.42Å; C61-P87 HydrophobicContact CB-CG 4.2Å; C61-P87 WeakPolarHBondContact O-CG 3.47Å; C61-P87 WeakPolarHBondContact SG-CG 3.39Å; C61-L101 HydrophobicContact CB-CB 4.43Å; C61-C102 WeakPolarHBondContact CA-SG 3.4Å; C61-C102 HydrophobicContact CB-CB 3.69Å; C61-C102 WeakPolarHBondContact CB-SG 3.28Å; C61-C102 WeakPolarHBondContact SG-CB 3.36Å; C61-C102 PolarHBondContact SG-N 2.87Å; C61-C102 CovalentContact SG-SG 1.99Å; C61-C102 PolarHBondContact SG-SG 3.18Å; C61-W215 HydrophobicContact CB-CB 4.41Å; C61-W215 HydrophobicContact CB-CG 4.14Å
62	R	84.4	Confident	84.4	Confident	144 Å²	144	62.5 Å²	62.5	54%	0.543	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-97.1	148.3	178.7	-66.7	-178	179.9	-176.1	-0.7	110.8	Y56 F60 C102	Y56-R62 HydrophobicContact CD1-CG 3.83Å; Y56-R62 HydrophobicContact CE1-CB 4.44Å; Y56-R62 HydrophobicContact CE1-CG 3.85Å; F60-R62 PolarHBondContact O-N 3.19Å; R62-C102 PolarHBondContact O-SG 3.26Å
63	P	84.4	Confident	84.2	Confident	26 Å²	26	64.6 Å²	64.6	17%	0.169	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-60.5	151	171.7	26.8	-34.8	0	0	0	111.6	Y56 H66 L67	Y56-P63 WeakPolarHBondContact OH-CD 3.38Å; P63-H66 WeakPolarHBondContact CG-O 3.26Å; P63-L67 HydrophobicContact CG-CD2 3.86Å
64	T	76	Confident	83.8	Confident	140 Å²	140	66.8 Å²	66.8	86%	0.859	33%	0.33	S	S	*	.	S	Bend	trans	-69	-36	-175.8	46.6	0	0	0	0	113.6
65	D	76.5	Confident	83.6	Confident	141 Å²	141	65.1 Å²	65.1	75%	0.754	32%	0.321	S	S	*	.	S	Bend	trans	-81.1	-68	-171.7	-58.4	-20	0	0	0	110.7
66	H	85.2	Confident	83.5	Confident	103 Å²	103	65.6 Å²	65.6	48%	0.477	32%	0.323	S	S	.	.			trans	-169	163.5	177.7	59.5	-60.4	0	0	0	112	P63 E68 N85	P63-H66 WeakPolarHBondContact CG-O 3.26Å; H66-E68 IonicContact CE1-OE1 3.11Å; H66-E68 PolarHBondContact CE1-OE1 3.37Å; H66-E68 WeakPolarHBondContact NE2-CG 3.26Å; H66-E68 IonicContact NE2-OE1 2.65Å; H66-E68 PolarHBondContact NE2-OE1 3.36Å; H66-E68 PolarHBondContact O-N 3.26Å; H66-N85 PolarHBondContact O-ND2 3.16Å
67	L	86.7	Confident	83.4	Confident	56 Å²	56	66 Å²	66	29%	0.293	33%	0.326	S	S	.	.			trans	-82.3	112.2	172.5	-68	175.2	0	0	0	110	Y56 P63 Y69 V84 N85	Y56-L67 HydrophobicContact CD2-CD1 4.3Å; Y56-L67 HydrophobicContact CD2-CD2 3.66Å; Y56-L67 HydrophobicContact CE1-CD2 4.3Å; Y56-L67 HydrophobicContact CE2-CD2 3.23Å; Y56-L67 HydrophobicContact CG-CD2 4.35Å; P63-L67 HydrophobicContact CG-CD2 3.86Å; L67-Y69 HydrophobicContact CB-CE2 4.29Å; L67-V84 HydrophobicContact CB-CG2 4.37Å; L67-V84 HydrophobicContact CD2-CG2 4.07Å; L67-N85 WeakPolarHBondContact CA-OD1 3.44Å
68	E	86.8	Confident	83.3	Confident	108 Å²	108	66.8 Å²	66.8	51%	0.505	32%	0.324	S	S	.	.			trans	-101.6	109.7	175.9	-69.3	-174.4	-168.8	0	0	110.1	H66 V84 N85	H66-E68 IonicContact CE1-OE1 3.11Å; H66-E68 PolarHBondContact CE1-OE1 3.37Å; H66-E68 WeakPolarHBondContact NE2-CG 3.26Å; H66-E68 IonicContact NE2-OE1 2.65Å; H66-E68 PolarHBondContact NE2-OE1 3.36Å; H66-E68 PolarHBondContact O-N 3.26Å; E68-V84 WeakPolarHBondContact O-CA 3.46Å; E68-N85 HydrophobicContact CB-CB 4.42Å; E68-N85 PolarHBondContact N-OD1 2.76Å; E68-N85 PolarHBondContact O-N 2.89Å; E68-N85 VanDerWaalsContact O-N 3.15Å
69	Y	88.3	Confident	83.4	Confident	107 Å²	107	71.4 Å²	71.4	42%	0.42	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-86.3	125.4	171.1	-72	-92	0	0	0	110.2	D54 L67 R82 I83 V84	D54-Y69 PolarHBondContact OD2-OH 3.04Å; L67-Y69 HydrophobicContact CB-CE2 4.29Å; Y69-R82 HydrophobicContact CD1-CB 4.46Å; Y69-R82 HydrophobicContact CE1-CB 4.17Å; Y69-I83 CarbonylContact C-O 3.17Å; Y69-I83 WeakPolarHBondContact CA-O 3.28Å; Y69-V84 HydrophobicContact CD1-CB 3.94Å; Y69-V84 HydrophobicContact CD1-CG2 4.16Å; Y69-V84 HydrophobicContact CD2-CG2 4.28Å; Y69-V84 HydrophobicContact CE1-CB 3.86Å; Y69-V84 HydrophobicContact CE1-CG2 4.02Å; Y69-V84 HydrophobicContact CE2-CG2 4.13Å; Y69-V84 HydrophobicContact CG-CB 4.48Å; Y69-V84 HydrophobicContact CG-CG2 4.31Å
70	K	84.4	Confident	83.8	Confident	93 Å²	93	70.6 Å²	70.6	40%	0.404	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-71.6	141.1	174.7	-177.8	174.9	176.5	173.2	0	109.5	E72 I83	K70-E72 PolarHBondContact O-N 3.4Å; K70-I83 HydrophobicContact CB-CB 4.11Å; K70-I83 HydrophobicContact CB-CG2 4Å; K70-I83 HydrophobicContact CD-CG2 4.37Å; K70-I83 PolarHBondContact N-O 3.25Å
71	K	76.1	Confident	84.1	Confident	198 Å²	198	70.4 Å²	70.4	86%	0.861	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-57.8	127.7	175.8	-67.1	-177.8	-178.5	177	0	111.1
72	E	77.9	Confident	84.6	Confident	42 Å²	42	72.4 Å²	72.4	20%	0.196	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-97.6	144.1	-177.8	-64.7	156.8	-160.7	0	0	111	K70 E76 I77 D81 R82	K70-E72 PolarHBondContact O-N 3.4Å; E72-E76 VanDerWaalsContact CA-OE2 3.3Å; E72-E76 WeakPolarHBondContact CA-OE2 3.13Å; E72-E76 HydrophobicContact CB-CB 4.06Å; E72-E76 HydrophobicContact CG-CB 4.42Å; E72-I77 HydrophobicContact CB-CD1 4.48Å; E72-I77 HydrophobicContact CB-CG1 3.78Å; E72-I77 WeakPolarHBondContact OE2-CG1 3.47Å; E72-D81 VanDerWaalsContact CD-O 3.28Å; E72-R82 VanDerWaalsContact CD-NH1 3.28Å; E72-R82 WeakPolarHBondContact OE1-CD 3.32Å; E72-R82 IonicContact OE1-CZ 2.76Å; E72-R82 IonicContact OE1-NE 3.93Å; E72-R82 IonicContact OE1-NH1 3.53Å; E72-R82 PolarHBondContact OE1-NH1 2.88Å; E72-R82 VanDerWaalsContact OE1-NH1 3.11Å; E72-R82 IonicContact OE2-CZ 3.81Å; E72-R82 IonicContact OE2-NH1 3.77Å; E72-R82 PolarHBondContact OE2-NH1 3.38Å
73	N	85.3	Confident	84.8	Confident	55 Å²	55	65.6 Å²	65.6	29%	0.294	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-79	164.2	162.7	66.4	56.8	0	0	0	111.3	G75 E76 I77 R340 G341 S345	N73-G75 PolarHBondContact O-N 2.74Å; N73-G75 VanDerWaalsContact O-N 3.16Å; N73-G75 WeakPolarHBondContact OD1-CA 3.22Å; N73-G75 PolarHBondContact OD1-N 3.32Å; N73-G75 VanDerWaalsContact OD1-N 3.07Å; N73-E76 PolarHBondContact N-OE2 2.84Å; N73-E76 PolarHBondContact ND2-OE2 2.98Å; N73-E76 WeakPolarHBondContact O-CB 3.23Å; N73-E76 PolarHBondContact O-N 3.35Å; N73-E76 WeakPolarHBondContact OD1-CG 3.32Å; N73-E76 PolarHBondContact OD1-N 2.91Å; N73-I77 WeakPolarHBondContact O-CG1 3.49Å; N73-I77 PolarHBondContact O-N 3.37Å; N73-R340 PolarHBondContact ND2-O 2.84Å; N73-G341 WeakPolarHBondContact OD1-CA 3.48Å; N73-S345 PolarHBondContact OD1-OG 3.07Å
74	L	84.6	Confident	85.2	Confident	52 Å²	52	64.4 Å²	64.4	27%	0.272	30%	0.304	S	S	.	.	H	α-helix	trans	-52.2	-42.4	-179.3	-74	172.3	0	0	0	112.1	I77 F78	L74-I77 HydrophobicContact CD2-CD1 4.49Å; L74-I77 WeakPolarHBondContact O-CB 3.22Å; L74-I77 PolarHBondContact O-N 3.28Å; L74-F78 WeakPolarHBondContact O-CD2 3.41Å; L74-F78 PolarHBondContact O-N 2.87Å
75	G	87	Confident	85.9	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-69.2	-31.1	179.8	0	0	0	0	0	115	N73 R79 G341 S345	N73-G75 PolarHBondContact O-N 2.74Å; N73-G75 VanDerWaalsContact O-N 3.16Å; N73-G75 WeakPolarHBondContact OD1-CA 3.22Å; N73-G75 PolarHBondContact OD1-N 3.32Å; N73-G75 VanDerWaalsContact OD1-N 3.07Å; G75-R79 WeakPolarHBondContact O-CG 3.45Å; G75-R79 PolarHBondContact O-N 3.02Å; G75-R79 VanDerWaalsContact O-N 3.13Å; G75-G341 WeakPolarHBondContact CA-O 3.38Å; G75-S345 WeakPolarHBondContact CA-OG 3.36Å; G75-S345 PolarHBondContact N-OG 3.13Å
76	E	89.2	Confident	86.6	Confident	14 Å²	14	53.5 Å²	53.5	7%	0.065	24%	0.241	C	C	.	.	H	α-helix	trans	-66.9	-43.3	170.6	-74.2	172.3	154.2	0	0	110.2	E72 N73 F78 R79 G80 D81 R340	E72-E76 VanDerWaalsContact CA-OE2 3.3Å; E72-E76 WeakPolarHBondContact CA-OE2 3.13Å; E72-E76 HydrophobicContact CB-CB 4.06Å; E72-E76 HydrophobicContact CG-CB 4.42Å; N73-E76 PolarHBondContact N-OE2 2.84Å; N73-E76 PolarHBondContact ND2-OE2 2.98Å; N73-E76 WeakPolarHBondContact O-CB 3.23Å; N73-E76 PolarHBondContact O-N 3.35Å; N73-E76 WeakPolarHBondContact OD1-CG 3.32Å; N73-E76 PolarHBondContact OD1-N 2.91Å; E76-F78 VanDerWaalsContact C-N 3.35Å; E76-F78 PolarHBondContact O-N 3.38Å; E76-R79 PolarHBondContact O-N 2.93Å; E76-G80 PolarHBondContact O-N 3.49Å; E76-G80 VanDerWaalsContact O-N 3.16Å; E76-D81 HydrophobicContact CB-CB 4.26Å; E76-D81 PolarHBondContact O-N 3.03Å; E76-R340 HydrophobicContact CG-CB 4.19Å; E76-R340 WeakPolarHBondContact OE1-CB 3Å; E76-R340 IonicContact OE1-CZ 3.52Å; E76-R340 IonicContact OE1-NE 3.3Å; E76-R340 IonicContact OE1-NH2 2.65Å
77	I	88.6	Confident	86.6	Confident	23 Å²	23	49.8 Å²	49.8	12%	0.118	23%	0.227	C	C	.	.	H	α-helix	trans	-56.5	-48.5	174.5	-62.3	167.8	0	0	0	110.4	E72 N73 L74 R79 G80 L409	E72-I77 HydrophobicContact CB-CD1 4.48Å; E72-I77 HydrophobicContact CB-CG1 3.78Å; E72-I77 WeakPolarHBondContact OE2-CG1 3.47Å; N73-I77 WeakPolarHBondContact O-CG1 3.49Å; N73-I77 PolarHBondContact O-N 3.37Å; L74-I77 HydrophobicContact CD2-CD1 4.49Å; L74-I77 WeakPolarHBondContact O-CB 3.22Å; L74-I77 PolarHBondContact O-N 3.28Å; I77-R79 VanDerWaalsContact C-N 3.33Å; I77-R79 PolarHBondContact O-N 3.39Å; I77-G80 PolarHBondContact O-N 2.95Å; I77-L409 HydrophobicContact CG2-CD2 3.7Å
78	F	84.8	Confident	86.5	Confident	63 Å²	63	47.8 Å²	47.8	28%	0.276	22%	0.216	S	C	.	.	H	α-helix	trans	-66.2	-31.4	179.5	-80.2	-72	0	0	0	114.4	L74 E76 G80 M344 L348 L409 L417	L74-F78 WeakPolarHBondContact O-CD2 3.41Å; L74-F78 PolarHBondContact O-N 2.87Å; E76-F78 VanDerWaalsContact C-N 3.35Å; E76-F78 PolarHBondContact O-N 3.38Å; F78-G80 PolarHBondContact O-N 3.26Å; F78-M344 HydrophobicContact CB-CG 4.35Å; F78-M344 HydrophobicContact CD2-CG 4.38Å; F78-L348 HydrophobicContact CD2-CD1 3.86Å; F78-L348 HydrophobicContact CE2-CD1 3.28Å; F78-L348 HydrophobicContact CZ-CD1 4.01Å; F78-L409 HydrophobicContact CD1-CD1 4.09Å; F78-L409 HydrophobicContact CD1-CD2 3.92Å; F78-L409 HydrophobicContact CE1-CD1 3.72Å; F78-L409 HydrophobicContact CE1-CD2 4.21Å; F78-L409 HydrophobicContact CG-CD2 4.47Å; F78-L417 HydrophobicContact CE1-CD1 3.74Å; F78-L417 HydrophobicContact CE2-CD1 4.02Å; F78-L417 HydrophobicContact CE2-CD2 3.61Å; F78-L417 HydrophobicContact CE2-CG 4.32Å; F78-L417 HydrophobicContact CZ-CD1 3.16Å; F78-L417 HydrophobicContact CZ-CD2 3.4Å; F78-L417 HydrophobicContact CZ-CG 3.83Å
79	R	85.1	Confident	86.4	Confident	101 Å²	101	45.7 Å²	45.7	38%	0.381	21%	0.21	S	C	.	.	H	α-helix	trans	-73.5	-11	173.2	-76	-179.4	174.4	170.2	0.2	112	K43 G75 E76 I77 D81	K43-R79 PolarHBondContact NZ-O 3.21Å; G75-R79 WeakPolarHBondContact O-CG 3.45Å; G75-R79 PolarHBondContact O-N 3.02Å; G75-R79 VanDerWaalsContact O-N 3.13Å; E76-R79 PolarHBondContact O-N 2.93Å; I77-R79 VanDerWaalsContact C-N 3.33Å; I77-R79 PolarHBondContact O-N 3.39Å; R79-D81 VanDerWaalsContact C-N 3.28Å
80	G	86.5	Confident	86.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	30.4	-171.5	0	0	0	0	0	112.3	K43 E76 I77 F78 S406	K43-G80 VanDerWaalsContact CD-O 3.28Å; K43-G80 WeakPolarHBondContact CD-O 3.26Å; E76-G80 PolarHBondContact O-N 3.49Å; E76-G80 VanDerWaalsContact O-N 3.16Å; I77-G80 PolarHBondContact O-N 2.95Å; F78-G80 PolarHBondContact O-N 3.26Å; G80-S406 WeakPolarHBondContact CA-O 3.22Å; G80-S406 PolarHBondContact O-OG 3.04Å
81	D	88.7	Confident	86.2	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.016	19%	0.19	C	C	.	.			trans	-80.2	112.6	174	-70.6	-15.1	0	0	0	108.5	I42 K43 E72 E76 R79	I42-D81 HydrophobicContact CG2-CB 3.72Å; K43-D81 WeakPolarHBondContact CD-OD1 3.17Å; K43-D81 WeakPolarHBondContact CE-OD1 3.19Å; K43-D81 IonicContact NZ-OD1 3.01Å; K43-D81 PolarHBondContact NZ-OD1 3.27Å; E72-D81 VanDerWaalsContact CD-O 3.28Å; E76-D81 HydrophobicContact CB-CB 4.26Å; E76-D81 PolarHBondContact O-N 3.03Å; R79-D81 VanDerWaalsContact C-N 3.28Å
82	R	89.5	Confident	86.4	Confident	52 Å²	52	33.5 Å²	33.5	20%	0.196	16%	0.157	C	C	.	.			trans	-113.6	85.7	179.6	-64	-61.1	-177.2	-170.4	-9.4	109.4	I42 Y69 E72 V84 S406	I42-R82 CarbonylContact O-C 3.45Å; I42-R82 PolarHBondContact O-N 3.17Å; Y69-R82 HydrophobicContact CD1-CB 4.46Å; Y69-R82 HydrophobicContact CE1-CB 4.17Å; E72-R82 VanDerWaalsContact CD-NH1 3.28Å; E72-R82 WeakPolarHBondContact OE1-CD 3.32Å; E72-R82 IonicContact OE1-CZ 2.76Å; E72-R82 IonicContact OE1-NE 3.93Å; E72-R82 IonicContact OE1-NH1 3.53Å; E72-R82 PolarHBondContact OE1-NH1 2.88Å; E72-R82 VanDerWaalsContact OE1-NH1 3.11Å; E72-R82 IonicContact OE2-CZ 3.81Å; E72-R82 IonicContact OE2-NH1 3.77Å; E72-R82 PolarHBondContact OE2-NH1 3.38Å; R82-V84 PolarHBondContact O-N 3.36Å; R82-S406 VanDerWaalsContact CG-OG 3.25Å; R82-S406 WeakPolarHBondContact CG-OG 3.31Å
83	I	89.4	Confident	86.6	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.175	C	C	.	.			trans	-77	118.4	-171.3	-57.4	154.7	0	0	0	109.4	K40 A41 Y69 K70 R340	K40-I83 HydrophobicContact CB-CG2 3.95Å; K40-I83 HydrophobicContact CD-CG2 4Å; A41-I83 VanDerWaalsContact O-CA 3.31Å; A41-I83 WeakPolarHBondContact O-CA 3.29Å; Y69-I83 CarbonylContact C-O 3.17Å; Y69-I83 WeakPolarHBondContact CA-O 3.28Å; K70-I83 HydrophobicContact CB-CB 4.11Å; K70-I83 HydrophobicContact CB-CG2 4Å; K70-I83 HydrophobicContact CD-CG2 4.37Å; K70-I83 PolarHBondContact N-O 3.25Å; I83-R340 VanDerWaalsContact CD1-CZ 3.46Å; I83-R340 VanDerWaalsContact CD1-NH2 3.28Å
84	V	92.2	Very high	86.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149	-175	66.4	0	0	0	0	111.3	K40 A41 Y56 L67 E68 Y69 R82	K40-V84 CarbonylContact C-O 3.55Å; K40-V84 WeakPolarHBondContact CA-O 3.46Å; K40-V84 WeakPolarHBondContact CB-O 3.31Å; A41-V84 HydrophobicContact CB-CG1 3.96Å; A41-V84 PolarHBondContact N-O 3.11Å; A41-V84 PolarHBondContact O-N 2.72Å; Y56-V84 HydrophobicContact CD2-CG1 3.78Å; Y56-V84 HydrophobicContact CD2-CG2 4.06Å; Y56-V84 HydrophobicContact CE2-CB 4.12Å; Y56-V84 HydrophobicContact CE2-CG1 3.41Å; Y56-V84 VanDerWaalsContact CE2-CG1 3.41Å; Y56-V84 HydrophobicContact CE2-CG2 3.59Å; L67-V84 HydrophobicContact CB-CG2 4.37Å; L67-V84 HydrophobicContact CD2-CG2 4.07Å; E68-V84 WeakPolarHBondContact O-CA 3.46Å; Y69-V84 HydrophobicContact CD1-CB 3.94Å; Y69-V84 HydrophobicContact CD1-CG2 4.16Å; Y69-V84 HydrophobicContact CD2-CG2 4.28Å; Y69-V84 HydrophobicContact CE1-CB 3.86Å; Y69-V84 HydrophobicContact CE1-CG2 4.02Å; Y69-V84 HydrophobicContact CE2-CG2 4.13Å; Y69-V84 HydrophobicContact CG-CB 4.48Å; Y69-V84 HydrophobicContact CG-CG2 4.31Å; R82-V84 PolarHBondContact O-N 3.36Å
85	N	92.2	Very high	86.3	Confident	36 Å²	36	39.9 Å²	39.9	19%	0.193	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	152.2	172.7	66	-25.5	0	0	0	111.5	Y56 H66 L67 E68	Y56-N85 PolarHBondContact OH-O 3.17Å; H66-N85 PolarHBondContact O-ND2 3.16Å; L67-N85 WeakPolarHBondContact CA-OD1 3.44Å; E68-N85 HydrophobicContact CB-CB 4.42Å; E68-N85 PolarHBondContact N-OD1 2.76Å; E68-N85 PolarHBondContact O-N 2.89Å; E68-N85 VanDerWaalsContact O-N 3.15Å
86	T	89.5	Confident	85.8	Confident	16 Å²	16	41.5 Å²	41.5	10%	0.098	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	160.1	178.5	65.8	0	0	0	0	109.7	V39 A41 Y55 F88	V39-T86 PolarHBondContact O-OG1 2.95Å; A41-T86 HydrophobicContact CB-CG2 3.63Å; Y55-T86 HydrophobicContact CE1-CG2 4.36Å; T86-F88 HydrophobicContact CG2-CD2 4.19Å; T86-F88 HydrophobicContact CG2-CE2 4.4Å; T86-F88 PolarHBondContact O-N 3.43Å; T86-F88 WeakPolarHBondContact OG1-CD2 3.47Å
87	P	86.6	Confident	85	Confident	26 Å²	26	44.4 Å²	44.4	17%	0.169	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	3.9	178	30.5	-32	0	0	0	113.9	C61 V89 L101	C61-P87 HydrophobicContact CB-CG 4.2Å; C61-P87 WeakPolarHBondContact O-CG 3.47Å; C61-P87 WeakPolarHBondContact SG-CG 3.39Å; P87-V89 PolarHBondContact O-N 3.39Å; P87-L101 HydrophobicContact CB-CD2 4.02Å; P87-L101 HydrophobicContact CG-CD2 4.13Å; P87-L101 WeakPolarHBondContact O-CD2 3.36Å
88	F	84.9	Confident	84.2	Confident	14 Å²	14	45.4 Å²	45.4	6%	0.061	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	124	178.4	-64.5	-68	0	0	0	110.9	V39 T86 L101 L131 F183 Y217	V39-F88 HydrophobicContact CB-CB 3.83Å; V39-F88 HydrophobicContact CB-CD2 4.01Å; V39-F88 HydrophobicContact CB-CG 4.3Å; V39-F88 HydrophobicContact CG1-CB 4.4Å; V39-F88 HydrophobicContact CG1-CD2 3.7Å; V39-F88 HydrophobicContact CG1-CE2 4.46Å; V39-F88 HydrophobicContact CG1-CG 4.33Å; V39-F88 HydrophobicContact CG2-CB 3.73Å; V39-F88 HydrophobicContact CG2-CG 4.43Å; T86-F88 HydrophobicContact CG2-CD2 4.19Å; T86-F88 HydrophobicContact CG2-CE2 4.4Å; T86-F88 PolarHBondContact O-N 3.43Å; T86-F88 WeakPolarHBondContact OG1-CD2 3.47Å; F88-L101 HydrophobicContact CD1-CD1 3.59Å; F88-L101 HydrophobicContact CE1-CD1 3.3Å; F88-L101 HydrophobicContact CZ-CD1 4.05Å; F88-L131 HydrophobicContact CE2-CD1 4.08Å; F88-F183 HydrophobicContact CB-CE1 4.35Å; F88-F183 HydrophobicContact CD1-CD1 4.46Å; F88-F183 HydrophobicContact CG-CE1 4.49Å; F88-Y217 AromaticContact CD1-CD1 3.41Å; F88-Y217 HydrophobicContact CD1-CD1 3.41Å; F88-Y217 VanDerWaalsContact CD1-CD1 3.41Å; F88-Y217 HydrophobicContact CD1-CD2 4.26Å; F88-Y217 AromaticContact CD1-CE1 3.9Å; F88-Y217 HydrophobicContact CD1-CE1 3.9Å; F88-Y217 AromaticContact CD1-CG 3.59Å; F88-Y217 HydrophobicContact CD1-CG 3.59Å; F88-Y217 AromaticContact CE1-CD1 3.83Å; F88-Y217 HydrophobicContact CE1-CD1 3.83Å; F88-Y217 AromaticContact CE1-CG 3.93Å; F88-Y217 HydrophobicContact CE1-CG 3.93Å
89	V	82.8	Confident	83.7	Confident	64 Å²	64	45.5 Å²	45.5	39%	0.388	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	93.9	176.7	-176.5	0	0	0	0	109.1	P87 Y217	P87-V89 PolarHBondContact O-N 3.39Å; V89-Y217 PolarHBondContact N-OH 2.81Å; V89-Y217 VanDerWaalsContact N-OH 3.15Å; V89-Y217 PolarHBondContact O-OH 2.88Å
90	V	83.7	Confident	83.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132	178.3	171.3	0	0	0	0	111.1	T36 V37 V39 V181 F183 Y217 V219 W221	T36-V90 CarbonylContact C-O 3.34Å; T36-V90 VanDerWaalsContact CA-O 3.28Å; T36-V90 WeakPolarHBondContact CA-O 3.4Å; V37-V90 HydrophobicContact CB-CG1 4.27Å; V37-V90 PolarHBondContact N-O 3.14Å; V39-V90 HydrophobicContact CG2-CG2 4.15Å; V90-V181 HydrophobicContact CB-CG1 4.5Å; V90-V181 HydrophobicContact CG1-CG1 3.49Å; V90-V181 VanDerWaalsContact CG1-CG1 3.49Å; V90-V181 HydrophobicContact CG2-CG1 4.31Å; V90-F183 HydrophobicContact CB-CE1 4.28Å; V90-F183 HydrophobicContact CB-CZ 4.06Å; V90-F183 HydrophobicContact CG1-CZ 4.27Å; V90-F183 HydrophobicContact CG2-CD1 4.12Å; V90-F183 HydrophobicContact CG2-CE1 3.02Å; V90-F183 HydrophobicContact CG2-CE2 4.44Å; V90-F183 HydrophobicContact CG2-CZ 3.21Å; V90-Y217 HydrophobicContact CG2-CE2 4.09Å; V90-V219 HydrophobicContact CG1-CG1 4.3Å; V90-V219 HydrophobicContact CG1-CG2 4.32Å; V90-V219 HydrophobicContact CG2-CG2 3.66Å; V90-W221 HydrophobicContact CG1-CZ2 3.64Å
91	R	85.5	Confident	82.4	Confident	107 Å²	107	43.8 Å²	43.8	40%	0.404	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.5	176.9	-67.7	176.2	179.8	174	2.8	110.4	S35 T36 K93 E94 W221	S35-R91 CarbonylContact O-C 3.5Å; S35-R91 WeakPolarHBondContact O-CA 3.2Å; T36-R91 HydrophobicContact CG2-CG 4.48Å; R91-K93 PolarHBondContact O-N 3.37Å; R91-E94 HydrophobicContact CB-CB 3.86Å; R91-E94 WeakPolarHBondContact CB-OE2 3.48Å; R91-E94 WeakPolarHBondContact CD-OE2 3.32Å; R91-E94 IonicContact NH1-OE1 2.84Å; R91-E94 IonicContact NH1-OE2 3.83Å; R91-E94 PolarHBondContact O-N 3.48Å; R91-W221 WeakPolarHBondContact O-CZ2 3.23Å; R91-W221 PolarHBondContact O-NE1 3.12Å
92	M	81	Confident	81.3	Confident	35 Å²	35	46.2 Å²	46.2	17%	0.172	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	126.8	-179	-172.7	69.2	-163.8	0	0	110.7	F31 S32 K34 S35 V37 E94 T179 W221	F31-M92 HydrophobicContact CB-CB 4.26Å; F31-M92 HydrophobicContact CB-CG 3.86Å; F31-M92 HydrophobicContact CB-SD 3.92Å; S32-M92 WeakPolarHBondContact O-CB 3.24Å; K34-M92 PolarHBondContact N-O 3.03Å; S35-M92 PolarHBondContact O-N 3.26Å; V37-M92 HydrophobicContact CG2-CB 4.21Å; V37-M92 HydrophobicContact CG2-SD 4.32Å; M92-E94 PolarHBondContact O-N 3.33Å; M92-T179 HydrophobicContact CE-CG2 4.43Å; M92-W221 VanDerWaalsContact CA-CZ2 3.49Å; M92-W221 HydrophobicContact CE-CE3 4.03Å; M92-W221 HydrophobicContact CE-CH2 4.22Å; M92-W221 HydrophobicContact CE-CZ3 3.57Å; M92-W221 HydrophobicContact CG-CH2 4.44Å; M92-W221 HydrophobicContact SD-CE3 4.05Å; M92-W221 HydrophobicContact SD-CH2 3.22Å; M92-W221 WeakPolarHBondContact SD-CH2 3.25Å; M92-W221 HydrophobicContact SD-CZ2 4.06Å; M92-W221 HydrophobicContact SD-CZ3 3.22Å; M92-W221 WeakPolarHBondContact SD-CZ3 3.47Å
93	K	81.4	Confident	80	Confident	129 Å²	129	44.8 Å²	44.8	56%	0.561	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	11.4	178.8	-161.8	177.5	162.5	-147.4	0	115	E33 R91 W221	E33-K93 HydrophobicContact CG-CB 4.39Å; E33-K93 HydrophobicContact CG-CD 4.22Å; E33-K93 WeakPolarHBondContact OE1-CD 3.19Å; E33-K93 WeakPolarHBondContact OE1-CE 3.28Å; E33-K93 IonicContact OE1-NZ 3.03Å; E33-K93 PolarHBondContact OE1-NZ 3.49Å; E33-K93 IonicContact OE2-NZ 3.95Å; E33-K93 PolarHBondContact OE2-NZ 3.46Å; R91-K93 PolarHBondContact O-N 3.37Å; K93-W221 VanDerWaalsContact N-CE2 3.31Å
94	E	81.9	Confident	78.3	Confident	60 Å²	60	47.9 Å²	47.9	28%	0.28	26%	0.264	S	S	.	.			trans	-102.5	116.4	174.3	-169.8	168.2	-179.7	0	0	109.6	R91 M92 W221	R91-E94 HydrophobicContact CB-CB 3.86Å; R91-E94 WeakPolarHBondContact CB-OE2 3.48Å; R91-E94 WeakPolarHBondContact CD-OE2 3.32Å; R91-E94 IonicContact NH1-OE1 2.84Å; R91-E94 IonicContact NH1-OE2 3.83Å; R91-E94 PolarHBondContact O-N 3.48Å; M92-E94 PolarHBondContact O-N 3.33Å; E94-W221 PolarHBondContact O-NE1 3.49Å; E94-W221 VanDerWaalsContact O-NE1 3.08Å
95	N	80.9	Confident	76.4	Confident	93 Å²	93	56.3 Å²	56.3	50%	0.497	30%	0.304	S	S	.	.			trans	-83.5	127.6	176.7	-66.5	-19.9	0	0	0	109.6	V219 W221	N95-V219 CarbonylContact C-O 3.49Å; N95-V219 VanDerWaalsContact CA-O 3.25Å; N95-V219 WeakPolarHBondContact CA-O 3.36Å; N95-W221 PolarHBondContact OD1-N 2.83Å
96	E	76.8	Confident	74.2	Confident	34 Å²	34	63.7 Å²	63.7	16%	0.159	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.6	175.1	-66.3	-169.6	160.7	0	0	108.9	H99 Y217 S218 V219	E96-H99 IonicContact OE2-CG 2.67Å; E96-H99 IonicContact OE2-ND1 3.67Å; E96-H99 PolarHBondContact OE2-ND1 3.19Å; E96-Y217 PolarHBondContact OE2-OH 3.33Å; E96-S218 CarbonylContact O-C 3.04Å; E96-S218 WeakPolarHBondContact O-CA 3.5Å; E96-S218 WeakPolarHBondContact O-CB 3.41Å; E96-V219 HydrophobicContact CB-CB 4.3Å; E96-V219 PolarHBondContact N-O 3.47Å; E96-V219 PolarHBondContact O-N 3.44Å
97	A	73.5	Confident	72.2	Confident	75 Å²	75	70.1 Å²	70.1	62%	0.62	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	-34.6	-177.6	0	0	0	0	0	113.1	Q186 S218	A97-Q186 PolarHBondContact O-NE2 3.48Å; A97-S218 WeakPolarHBondContact O-CB 3.19Å
98	C	71.1	Confident	70.4	Confident	44 Å²	44	72.9 Å²	72.9	30%	0.297	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	115.9	179.3	-170.6	0	0	0	0	109.7	Q186 Y217	C98-Q186 PolarHBondContact SG-OE1 2.8Å; C98-Y217 CarbonylContact C-O 3.35Å; C98-Y217 WeakPolarHBondContact CA-O 3.33Å
99	H	73.7	Confident	69.2	Low	66 Å²	66	74.6 Å²	74.6	31%	0.306	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.8	176.8	-172.9	101.8	0	0	0	110.1	E96 S216 Y217	E96-H99 IonicContact OE2-CG 2.67Å; E96-H99 IonicContact OE2-ND1 3.67Å; E96-H99 PolarHBondContact OE2-ND1 3.19Å; H99-S216 CarbonylContact O-C 3.49Å; H99-S216 VanDerWaalsContact O-C 3.27Å; H99-S216 WeakPolarHBondContact O-CA 3.49Å; H99-S216 VanDerWaalsContact O-CB 3.25Å; H99-S216 WeakPolarHBondContact O-CB 3.36Å; H99-Y217 HydrophobicContact CB-CD1 4.17Å; H99-Y217 HydrophobicContact CB-CE1 3.75Å; H99-Y217 HydrophobicContact CB-CE2 4.06Å; H99-Y217 AromaticContact CD2-CE1 3.28Å; H99-Y217 WeakPolarHBondContact CD2-CE1 3.31Å; H99-Y217 AromaticContact CD2-CZ 3.58Å; H99-Y217 PolarHBondContact CD2-OH 3.49Å; H99-Y217 AromaticContact CG-CE1 3.65Å; H99-Y217 AromaticContact CG-CZ 3.56Å; H99-Y217 PolarHBondContact N-O 3.26Å; H99-Y217 PolarHBondContact O-N 3.25Å
100	L	73.8	Confident	68.4	Low	58 Å²	58	76.2 Å²	76.2	30%	0.304	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	136.6	-178.3	-70.6	163.1	0	0	0	112.6	L188	L100-L188 HydrophobicContact CD1-CD1 3.65Å; L100-L188 HydrophobicContact CD1-CD2 3.75Å; L100-L188 HydrophobicContact CD1-CG 4.25Å; L100-L188 HydrophobicContact CD2-CB 3.82Å; L100-L188 HydrophobicContact CD2-CD1 3.78Å; L100-L188 HydrophobicContact CD2-CD2 4.07Å; L100-L188 HydrophobicContact CD2-CG 4.09Å; L100-L188 HydrophobicContact CG-CD1 4.18Å
101	L	71.3	Confident	67.7	Low	6 Å²	6	77 Å²	77	3%	0.031	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.6	180	-77.3	174.1	0	0	0	111.6	C61 P87 F88 A103 W215 Y217	C61-L101 HydrophobicContact CB-CB 4.43Å; P87-L101 HydrophobicContact CB-CD2 4.02Å; P87-L101 HydrophobicContact CG-CD2 4.13Å; P87-L101 WeakPolarHBondContact O-CD2 3.36Å; F88-L101 HydrophobicContact CD1-CD1 3.59Å; F88-L101 HydrophobicContact CE1-CD1 3.3Å; F88-L101 HydrophobicContact CZ-CD1 4.05Å; L101-A103 PolarHBondContact O-N 3.27Å; L101-W215 HydrophobicContact CB-CB 3.85Å; L101-W215 PolarHBondContact N-O 3.27Å; L101-Y217 HydrophobicContact CD1-CD1 3.57Å; L101-Y217 HydrophobicContact CD1-CE1 4.1Å; L101-Y217 HydrophobicContact CD2-CD1 4.06Å; L101-Y217 HydrophobicContact CD2-CE1 3.69Å; L101-Y217 HydrophobicContact CG-CD1 3.64Å; L101-Y217 HydrophobicContact CG-CE1 3.77Å
102	C	66.4	Low	67.2	Low	54 Å²	54	74.5 Å²	74.5	37%	0.365	40%	0.403	S	S	.	.	S	Bend	trans	51.3	13.8	178.3	-68.8	0	0	0	0	115.9	C61 R62 N109	C61-C102 WeakPolarHBondContact CA-SG 3.4Å; C61-C102 HydrophobicContact CB-CB 3.69Å; C61-C102 WeakPolarHBondContact CB-SG 3.28Å; C61-C102 WeakPolarHBondContact SG-CB 3.36Å; C61-C102 PolarHBondContact SG-N 2.87Å; C61-C102 CovalentContact SG-SG 1.99Å; C61-C102 PolarHBondContact SG-SG 3.18Å; R62-C102 PolarHBondContact O-SG 3.26Å; C102-N109 WeakPolarHBondContact CB-ND2 3.04Å; C102-N109 PolarHBondContact O-ND2 3.05Å; C102-N109 PolarHBondContact O-OD1 2.93Å
103	A	61.9	Low	67.2	Low	22 Å²	22	76.9 Å²	76.9	18%	0.182	42%	0.419	C	S	.	.			trans	-117.2	128.4	175.5	0	0	0	0	0	108.1	L101 Y214	L101-A103 PolarHBondContact O-N 3.27Å; A103-Y214 HydrophobicContact CB-CD1 3.79Å; A103-Y214 HydrophobicContact CB-CE1 4.06Å
104	S	53.9	Low	67.2	Low	66 Å²	66	78.6 Å²	78.6	46%	0.462	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-88.4	161.3	151.9	60.8	0	0	0	0	107.8	E106 K107	S104-E106 PolarHBondContact O-N 3.42Å; S104-K107 PolarHBondContact O-N 2.98Å; S104-K107 VanDerWaalsContact O-N 3.15Å; S104-K107 WeakPolarHBondContact OG-CB 3.48Å; S104-K107 PolarHBondContact OG-N 3.42Å
105	E	51	Low	67.2	Low	177 Å²	177	79.1 Å²	79.1	83%	0.827	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-19.2	175.3	-67	-175.7	160.5	0	0	113
106	E	45.8	Very low	67	Low	191 Å²	191	75.4 Å²	75.4	89%	0.893	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-15.8	-177	-61.2	-177.6	162	0	0	115.6	S104	S104-E106 PolarHBondContact O-N 3.42Å
107	K	48.1	Very low	67.2	Low	152 Å²	152	78.3 Å²	78.3	66%	0.661	43%	0.429	S	S	*	.	B	Isolated β-bridge	trans	-120	102.3	-173.8	-160.5	176.8	-177.2	-178.9	0	111.7	S104	S104-K107 PolarHBondContact O-N 2.98Å; S104-K107 VanDerWaalsContact O-N 3.15Å; S104-K107 WeakPolarHBondContact OG-CB 3.48Å; S104-K107 PolarHBondContact OG-N 3.42Å
108	M	50.2	Low	67.8	Low	84 Å²	84	77.2 Å²	77.2	41%	0.414	41%	0.412	S	S	.	.			trans	-81.3	131.2	177.5	-163.1	162.7	65.2	0	0	110.5	S110 S212 Y214	M108-S110 PolarHBondContact O-N 3.01Å; M108-S212 WeakPolarHBondContact SD-CB 3.47Å; M108-Y214 HydrophobicContact CG-CE1 4.48Å; M108-Y214 HydrophobicContact CG-CE2 4.26Å; M108-Y214 HydrophobicContact SD-CE2 4.14Å
109	N	59.5	Low	68.3	Low	50 Å²	50	75.2 Å²	75.2	27%	0.267	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	113.6	170.2	-69.7	-40.6	0	0	0	108.3	C102 L213	C102-N109 WeakPolarHBondContact CB-ND2 3.04Å; C102-N109 PolarHBondContact O-ND2 3.05Å; C102-N109 PolarHBondContact O-OD1 2.93Å; N109-L213 PolarHBondContact O-N 2.82Å; N109-L213 VanDerWaalsContact O-N 3.15Å
110	S	64.6	Low	68.6	Low	98 Å²	98	74 Å²	74	69%	0.685	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.8	170	46.6	0	0	0	0	108.9	M108 N211	M108-S110 PolarHBondContact O-N 3.01Å; S110-N211 CarbonylContact C-O 3Å; S110-N211 WeakPolarHBondContact CA-O 3.24Å
111	L	69	Low	69.2	Low	15 Å²	15	75.4 Å²	75.4	8%	0.079	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-77.1	140.9	166.4	-69.9	169.3	0	0	0	108.2	G59 Q115 T116 M119 N211 L213	G59-L111 WeakPolarHBondContact O-CD2 3.33Å; L111-Q115 HydrophobicContact CB-CB 4.34Å; L111-Q115 HydrophobicContact CD2-CB 4.14Å; L111-T116 WeakPolarHBondContact CB-OG1 3.33Å; L111-M119 HydrophobicContact CD1-CE 4.22Å; L111-M119 HydrophobicContact CD1-SD 4.26Å; L111-N211 PolarHBondContact N-O 3.47Å; L111-N211 WeakPolarHBondContact O-CB 3.37Å; L111-L213 HydrophobicContact CD1-CB 4.27Å; L111-L213 HydrophobicContact CD1-CD2 4.42Å
112	S	75.7	Confident	69.9	Low	56 Å²	56	76.7 Å²	76.7	39%	0.392	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-63.7	153.4	166.3	60.5	0	0	0	0	110	E114 Q115 T116	S112-E114 PolarHBondContact O-N 2.88Å; S112-Q115 VanDerWaalsContact N-OE1 3.12Å; S112-Q115 PolarHBondContact O-N 3.47Å; S112-Q115 WeakPolarHBondContact OG-CB 3.31Å; S112-Q115 VanDerWaalsContact OG-CD 3.28Å; S112-Q115 WeakPolarHBondContact OG-CG 3.29Å; S112-Q115 PolarHBondContact OG-N 3.16Å; S112-Q115 PolarHBondContact OG-OE1 3.04Å; S112-T116 PolarHBondContact O-N 3.2Å; S112-T116 PolarHBondContact O-OG1 3.44Å
113	V	79.9	Confident	70.6	Confident	85 Å²	85	74.3 Å²	74.3	52%	0.515	39%	0.387	S	S	.	.	H	α-helix	trans	-52.5	-42.8	177.9	178.6	0	0	0	0	110.9	Q115 T116 D117 N211	V113-Q115 PolarHBondContact O-N 2.84Å; V113-T116 PolarHBondContact O-N 3.39Å; V113-D117 PolarHBondContact O-N 3.27Å; V113-N211 WeakPolarHBondContact CG2-ND2 3.48Å
114	E	83	Confident	71.7	Confident	164 Å²	164	78.9 Å²	78.9	77%	0.766	40%	0.403	S	S	*	.	H	α-helix	trans	-62	-40.2	177.4	-62.7	-177.5	175.8	0	0	113.1	S112 L118	S112-E114 PolarHBondContact O-N 2.88Å; E114-L118 VanDerWaalsContact O-CB 3.29Å; E114-L118 WeakPolarHBondContact O-CB 3.1Å; E114-L118 PolarHBondContact O-N 3.12Å
115	Q	80.5	Confident	73.4	Confident	72 Å²	72	77 Å²	77	34%	0.336	39%	0.386	S	S	.	.	H	α-helix	trans	-70	-37.7	177	-74.9	169.9	-39.2	0	0	112	L111 S112 V113 L118 M119	L111-Q115 HydrophobicContact CB-CB 4.34Å; L111-Q115 HydrophobicContact CD2-CB 4.14Å; S112-Q115 VanDerWaalsContact N-OE1 3.12Å; S112-Q115 PolarHBondContact O-N 3.47Å; S112-Q115 WeakPolarHBondContact OG-CB 3.31Å; S112-Q115 VanDerWaalsContact OG-CD 3.28Å; S112-Q115 WeakPolarHBondContact OG-CG 3.29Å; S112-Q115 PolarHBondContact OG-N 3.16Å; S112-Q115 PolarHBondContact OG-OE1 3.04Å; V113-Q115 PolarHBondContact O-N 2.84Å; Q115-L118 PolarHBondContact O-N 2.88Å; Q115-M119 VanDerWaalsContact O-CB 3.31Å; Q115-M119 WeakPolarHBondContact O-CB 3.47Å; Q115-M119 PolarHBondContact O-N 3.46Å
116	T	76.7	Confident	75.1	Confident	15 Å²	15	73.7 Å²	73.7	9%	0.092	37%	0.371	C	S	.	.	H	α-helix	trans	-62.2	-47.9	174.7	-56.5	0	0	0	0	110.2	L111 S112 V113 L118 M119 I120 N211	L111-T116 WeakPolarHBondContact CB-OG1 3.33Å; S112-T116 PolarHBondContact O-N 3.2Å; S112-T116 PolarHBondContact O-OG1 3.44Å; V113-T116 PolarHBondContact O-N 3.39Å; T116-L118 PolarHBondContact O-N 3.01Å; T116-M119 PolarHBondContact O-N 2.87Å; T116-I120 HydrophobicContact CG2-CD1 3.97Å; T116-I120 WeakPolarHBondContact O-CB 3.37Å; T116-I120 VanDerWaalsContact O-CG1 3.31Å; T116-I120 WeakPolarHBondContact O-CG1 3.24Å; T116-I120 PolarHBondContact O-N 3.39Å; T116-N211 PolarHBondContact OG1-OD1 2.87Å
117	D	81.9	Confident	77.2	Confident	95 Å²	95	64.7 Å²	64.7	51%	0.508	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-42.8	177.5	-73.4	-24.5	0	0	0	111.9	V113 I120 Q121	V113-D117 PolarHBondContact O-N 3.27Å; D117-I120 PolarHBondContact O-N 3.42Å; D117-Q121 WeakPolarHBondContact O-CB 3.3Å; D117-Q121 PolarHBondContact O-N 3.42Å
118	L	85.1	Confident	79.1	Confident	52 Å²	52	59.9 Å²	59.9	27%	0.272	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-44.5	175.5	-177.2	63.4	0	0	0	111.4	L58 E114 Q115 T116 Q121 R122	L58-L118 HydrophobicContact CD2-CD2 4.16Å; L58-L118 HydrophobicContact CD2-CG 3.96Å; E114-L118 VanDerWaalsContact O-CB 3.29Å; E114-L118 WeakPolarHBondContact O-CB 3.1Å; E114-L118 PolarHBondContact O-N 3.12Å; Q115-L118 PolarHBondContact O-N 2.88Å; T116-L118 PolarHBondContact O-N 3.01Å; L118-Q121 WeakPolarHBondContact O-CB 3.45Å; L118-Q121 PolarHBondContact O-N 3.27Å; L118-R122 WeakPolarHBondContact O-CG 3.27Å; L118-R122 PolarHBondContact O-N 2.89Å
119	M	81.5	Confident	80.9	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-46	177.5	-176.6	173.9	-75.4	0	0	111.1	L58 L111 Q115 T116 Q121 R122 I123 I168 W215	L58-M119 HydrophobicContact CB-CE 4.38Å; L58-M119 HydrophobicContact CD2-CB 4.31Å; L111-M119 HydrophobicContact CD1-CE 4.22Å; L111-M119 HydrophobicContact CD1-SD 4.26Å; Q115-M119 VanDerWaalsContact O-CB 3.31Å; Q115-M119 WeakPolarHBondContact O-CB 3.47Å; Q115-M119 PolarHBondContact O-N 3.46Å; T116-M119 PolarHBondContact O-N 2.87Å; M119-Q121 VanDerWaalsContact C-N 3.31Å; M119-Q121 PolarHBondContact O-N 3.12Å; M119-R122 PolarHBondContact O-N 3.1Å; M119-I123 HydrophobicContact CG-CD1 4.13Å; M119-I123 VanDerWaalsContact O-CG1 3.32Å; M119-I123 WeakPolarHBondContact O-CG1 3.46Å; M119-I123 PolarHBondContact O-N 3.3Å; M119-I168 HydrophobicContact SD-CD1 4.5Å; M119-W215 HydrophobicContact CE-CH2 3.67Å; M119-W215 HydrophobicContact CE-CZ2 3.85Å; M119-W215 HydrophobicContact SD-CH2 4.43Å
120	I	81	Confident	82.3	Confident	40 Å²	40	53.6 Å²	53.6	21%	0.205	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-44.1	174.7	-73.3	168.2	0	0	0	111	T116 D117 I123 K124 V166 I168	T116-I120 HydrophobicContact CG2-CD1 3.97Å; T116-I120 WeakPolarHBondContact O-CB 3.37Å; T116-I120 VanDerWaalsContact O-CG1 3.31Å; T116-I120 WeakPolarHBondContact O-CG1 3.24Å; T116-I120 PolarHBondContact O-N 3.39Å; D117-I120 PolarHBondContact O-N 3.42Å; I120-I123 PolarHBondContact O-N 3.29Å; I120-K124 HydrophobicContact CG2-CD 4.47Å; I120-K124 WeakPolarHBondContact O-CG 3.3Å; I120-K124 PolarHBondContact O-N 3.21Å; I120-V166 HydrophobicContact CB-CG1 4.38Å; I120-V166 HydrophobicContact CG1-CG1 4.04Å; I120-V166 HydrophobicContact CG2-CB 4.2Å; I120-V166 HydrophobicContact CG2-CG1 4.03Å; I120-V166 HydrophobicContact CG2-CG2 3.76Å; I120-I168 HydrophobicContact CG1-CD1 4.12Å
121	Q	85.4	Confident	83.5	Confident	88 Å²	88	49 Å²	49	41%	0.411	24%	0.242	S	C	.	.	H	α-helix	trans	-60.8	-46.8	176.6	-177.5	-177.5	-5.3	0	0	111.4	D117 L118 M119 I123 K124 E125	D117-Q121 WeakPolarHBondContact O-CB 3.3Å; D117-Q121 PolarHBondContact O-N 3.42Å; L118-Q121 WeakPolarHBondContact O-CB 3.45Å; L118-Q121 PolarHBondContact O-N 3.27Å; M119-Q121 VanDerWaalsContact C-N 3.31Å; M119-Q121 PolarHBondContact O-N 3.12Å; Q121-I123 VanDerWaalsContact C-N 3.28Å; Q121-I123 PolarHBondContact O-N 3.39Å; Q121-K124 PolarHBondContact O-N 3.14Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.16Å; Q121-E125 PolarHBondContact NE2-OE1 3.14Å; Q121-E125 WeakPolarHBondContact O-CB 3.46Å; Q121-E125 WeakPolarHBondContact O-CG 3.34Å; Q121-E125 PolarHBondContact O-N 2.97Å
122	R	86.4	Confident	84.4	Confident	33 Å²	33	48.6 Å²	48.6	13%	0.125	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-32.3	178.4	-64.1	-51.1	176.5	-139.1	-4.5	112.7	F53 L58 L118 M119 E125 E126 Y127 L158	F53-R122 VanDerWaalsContact CE2-NH2 3.29Å; F53-R122 VanDerWaalsContact CZ-NH2 3.29Å; L58-R122 HydrophobicContact CD1-CB 4.46Å; L58-R122 HydrophobicContact CD1-CG 4.47Å; L58-R122 HydrophobicContact CD2-CG 3.98Å; L118-R122 WeakPolarHBondContact O-CG 3.27Å; L118-R122 PolarHBondContact O-N 2.89Å; M119-R122 PolarHBondContact O-N 3.1Å; R122-E125 IonicContact CZ-OE2 2.74Å; R122-E125 IonicContact NH1-OE1 2.69Å; R122-E125 IonicContact NH1-OE2 3.81Å; R122-E125 PolarHBondContact NH1-OE2 3.23Å; R122-E125 CarbonylContact O-C 3.5Å; R122-E125 PolarHBondContact O-N 3.29Å; R122-E126 PolarHBondContact O-N 3.33Å; R122-Y127 HydrophobicContact CB-CD2 3.96Å; R122-Y127 HydrophobicContact CB-CG 4.22Å; R122-Y127 HydrophobicContact CG-CD2 4.31Å; R122-Y127 WeakPolarHBondContact O-CB 3.14Å; R122-Y127 WeakPolarHBondContact O-CD2 3.34Å; R122-Y127 PolarHBondContact O-N 3.34Å; R122-Y127 VanDerWaalsContact O-N 3.07Å; R122-L158 HydrophobicContact CB-CD2 3.52Å
123	I	82.6	Confident	84.8	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-47.6	172.8	-69.6	166.1	0	0	0	110.7	M119 I120 Q121 E125 E126 L158 V166 I168	M119-I123 HydrophobicContact CG-CD1 4.13Å; M119-I123 VanDerWaalsContact O-CG1 3.32Å; M119-I123 WeakPolarHBondContact O-CG1 3.46Å; M119-I123 PolarHBondContact O-N 3.3Å; I120-I123 PolarHBondContact O-N 3.29Å; Q121-I123 VanDerWaalsContact C-N 3.28Å; Q121-I123 PolarHBondContact O-N 3.39Å; I123-E125 PolarHBondContact O-N 3.2Å; I123-E126 PolarHBondContact O-N 2.91Å; I123-L158 HydrophobicContact CG1-CB 4.33Å; I123-L158 HydrophobicContact CG1-CD2 3.9Å; I123-L158 HydrophobicContact CG1-CG 3.84Å; I123-V166 HydrophobicContact CD1-CG1 4.5Å; I123-V166 HydrophobicContact CG2-CG1 4.23Å; I123-I168 HydrophobicContact CD1-CB 4.32Å; I123-I168 HydrophobicContact CD1-CD1 4.36Å; I123-I168 HydrophobicContact CD1-CG1 3.8Å; I123-I168 HydrophobicContact CD1-CG2 3.99Å
124	K	84.5	Confident	85	Confident	119 Å²	119	43.2 Å²	43.2	52%	0.517	20%	0.204	S	C	.	.	H	α-helix	trans	-60.5	-34.9	176.3	-69.8	178.7	-178.1	178.4	0	112.4	K48 I120 Q121 E126 V166	K48-K124 PolarHBondContact NZ-O 3.43Å; I120-K124 HydrophobicContact CG2-CD 4.47Å; I120-K124 WeakPolarHBondContact O-CG 3.3Å; I120-K124 PolarHBondContact O-N 3.21Å; Q121-K124 PolarHBondContact O-N 3.14Å; K124-E126 PolarHBondContact O-N 3.37Å; K124-V166 HydrophobicContact CG-CG2 4.38Å
125	E	88.5	Confident	84.8	Confident	25 Å²	25	37.6 Å²	37.6	12%	0.117	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	4.4	175.7	-70.5	170.8	179.4	0	0	113.2	S46 T49 Q121 R122 I123 Y127	S46-E125 VanDerWaalsContact CB-O 3.32Å; S46-E125 WeakPolarHBondContact CB-O 3.24Å; S46-E125 PolarHBondContact OG-O 2.84Å; T49-E125 HydrophobicContact CG2-CB 4.14Å; T49-E125 HydrophobicContact CG2-CG 4.01Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.16Å; Q121-E125 PolarHBondContact NE2-OE1 3.14Å; Q121-E125 WeakPolarHBondContact O-CB 3.46Å; Q121-E125 WeakPolarHBondContact O-CG 3.34Å; Q121-E125 PolarHBondContact O-N 2.97Å; R122-E125 IonicContact CZ-OE2 2.74Å; R122-E125 IonicContact NH1-OE1 2.69Å; R122-E125 IonicContact NH1-OE2 3.81Å; R122-E125 PolarHBondContact NH1-OE2 3.23Å; R122-E125 CarbonylContact O-C 3.5Å; R122-E125 PolarHBondContact O-N 3.29Å; I123-E125 PolarHBondContact O-N 3.2Å; E125-Y127 VanDerWaalsContact C-N 3.32Å; E125-Y127 HydrophobicContact CB-CD2 3.7Å; E125-Y127 HydrophobicContact CB-CE2 3.75Å; E125-Y127 PolarHBondContact O-N 3.42Å; E125-Y127 VanDerWaalsContact OE2-CE2 3.27Å; E125-Y127 WeakPolarHBondContact OE2-CE2 3.3Å
126	E	86.9	Confident	84.9	Confident	109 Å²	109	34.4 Å²	34.4	51%	0.509	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	41.8	178.2	-67.3	173.8	-161	0	0	113.5	K48 R122 I123 K124	K48-E126 HydrophobicContact CD-CB 4.4Å; K48-E126 HydrophobicContact CD-CG 4.39Å; K48-E126 WeakPolarHBondContact CE-OE1 3.47Å; K48-E126 WeakPolarHBondContact CE-OE2 3.41Å; K48-E126 IonicContact NZ-OE1 4Å; K48-E126 PolarHBondContact NZ-OE1 2.95Å; K48-E126 IonicContact NZ-OE2 3.42Å; R122-E126 PolarHBondContact O-N 3.33Å; I123-E126 PolarHBondContact O-N 2.91Å; K124-E126 PolarHBondContact O-N 3.37Å
127	Y	89.6	Confident	85.3	Confident	2 Å²	2	34 Å²	34	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	142.2	171.9	-88.2	-93	0	0	0	111.7	L44 T45 T49 L51 F53 R122 E125 L158	L44-Y127 HydrophobicContact CB-CD1 3.74Å; L44-Y127 HydrophobicContact CB-CE1 4.32Å; T45-Y127 VanDerWaalsContact C-CD1 3.43Å; T45-Y127 CarbonylContact O-C 3.52Å; T45-Y127 WeakPolarHBondContact O-CA 3.38Å; T49-Y127 HydrophobicContact CG2-CE2 4.21Å; T49-Y127 WeakPolarHBondContact OG1-CE2 3.45Å; T49-Y127 PolarHBondContact OG1-OH 3.25Å; L51-Y127 VanDerWaalsContact O-CE1 3.29Å; L51-Y127 WeakPolarHBondContact O-CE1 3.26Å; L51-Y127 PolarHBondContact O-OH 3.2Å; F53-Y127 HydrophobicContact CD2-CD1 4.44Å; F53-Y127 AromaticContact CD2-CE1 3.51Å; F53-Y127 HydrophobicContact CD2-CE1 3.51Å; F53-Y127 HydrophobicContact CD2-CE2 4.44Å; F53-Y127 AromaticContact CD2-CZ 3.51Å; F53-Y127 WeakPolarHBondContact CD2-OH 3.38Å; F53-Y127 HydrophobicContact CE2-CE1 4.02Å; F53-Y127 HydrophobicContact CE2-CE2 4.29Å; F53-Y127 AromaticContact CE2-CZ 3.5Å; F53-Y127 VanDerWaalsContact CE2-CZ 3.5Å; F53-Y127 WeakPolarHBondContact CE2-OH 3.32Å; R122-Y127 HydrophobicContact CB-CD2 3.96Å; R122-Y127 HydrophobicContact CB-CG 4.22Å; R122-Y127 HydrophobicContact CG-CD2 4.31Å; R122-Y127 WeakPolarHBondContact O-CB 3.14Å; R122-Y127 WeakPolarHBondContact O-CD2 3.34Å; R122-Y127 PolarHBondContact O-N 3.34Å; R122-Y127 VanDerWaalsContact O-N 3.07Å; E125-Y127 VanDerWaalsContact C-N 3.32Å; E125-Y127 HydrophobicContact CB-CD2 3.7Å; E125-Y127 HydrophobicContact CB-CE2 3.75Å; E125-Y127 PolarHBondContact O-N 3.42Å; E125-Y127 VanDerWaalsContact OE2-CE2 3.27Å; E125-Y127 WeakPolarHBondContact OE2-CE2 3.3Å; Y127-L158 VanDerWaalsContact O-CB 3.29Å; Y127-L158 WeakPolarHBondContact O-CB 3.26Å; Y127-L158 PolarHBondContact O-N 2.94Å
128	R	88	Confident	85.4	Confident	50 Å²	50	29.5 Å²	29.5	19%	0.189	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.2	173.3	-57.4	-178.1	71.5	85.6	-0.4	109.8	L44 T45 T140 R154 G155 Y156	L44-R128 CarbonylContact C-O 3.42Å; L44-R128 WeakPolarHBondContact CA-O 3.3Å; T45-R128 PolarHBondContact N-O 2.89Å; T45-R128 PolarHBondContact O-N 3.14Å; R128-T140 PolarHBondContact NH2-OG1 3.13Å; R128-R154 PolarHBondContact NE-O 3.33Å; R128-G155 PolarHBondContact NH2-O 3.1Å; R128-Y156 CarbonylContact C-O 3.34Å; R128-Y156 WeakPolarHBondContact CA-O 3.23Å; R128-Y156 WeakPolarHBondContact CB-O 3.35Å
129	V	88.9	Confident	85.2	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.6	177	-176.9	0	0	0	0	109.6	L44 Y55 F60 L131 G155 Y156 L158	L44-V129 HydrophobicContact CD2-CB 4.08Å; L44-V129 HydrophobicContact CD2-CG1 4.21Å; L44-V129 HydrophobicContact CD2-CG2 3.61Å; Y55-V129 HydrophobicContact CD2-CG1 3.8Å; Y55-V129 HydrophobicContact CE2-CG1 3.52Å; F60-V129 HydrophobicContact CZ-CG2 4.1Å; V129-L131 HydrophobicContact CG1-CD2 4.15Å; V129-L131 HydrophobicContact CG1-CG 4.27Å; V129-G155 CarbonylContact O-C 3.5Å; V129-G155 WeakPolarHBondContact O-CA 3.13Å; V129-Y156 HydrophobicContact CB-CD1 3.84Å; V129-Y156 HydrophobicContact CB-CD2 4.19Å; V129-Y156 HydrophobicContact CB-CE1 3.42Å; V129-Y156 VanDerWaalsContact CB-CE1 3.42Å; V129-Y156 HydrophobicContact CB-CE2 3.85Å; V129-Y156 HydrophobicContact CB-CG 4.21Å; V129-Y156 VanDerWaalsContact CB-CZ 3.46Å; V129-Y156 HydrophobicContact CG1-CD1 4.25Å; V129-Y156 HydrophobicContact CG1-CE1 3.44Å; V129-Y156 VanDerWaalsContact CG1-CE1 3.44Å; V129-Y156 HydrophobicContact CG1-CE2 4.42Å; V129-Y156 HydrophobicContact CG2-CD2 4.27Å; V129-Y156 HydrophobicContact CG2-CE1 4.2Å; V129-Y156 HydrophobicContact CG2-CE2 3.73Å; V129-Y156 PolarHBondContact N-O 2.84Å; V129-Y156 PolarHBondContact O-N 3.31Å; V129-L158 HydrophobicContact CG2-CD1 3.97Å
130	H	89.5	Confident	85	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.009	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.8	175.3	-65.7	-83.7	0	0	0	110.6	I42 K43 T45 R154	I42-H130 HydrophobicContact CB-CB 4.16Å; I42-H130 HydrophobicContact CD1-CB 4.42Å; I42-H130 PolarHBondContact N-O 3.19Å; K43-H130 WeakPolarHBondContact O-CB 3.37Å; K43-H130 PolarHBondContact O-CD2 3.32Å; K43-H130 PolarHBondContact O-N 2.88Å; T45-H130 PolarHBondContact OG1-NE2 2.88Å; H130-R154 VanDerWaalsContact CE1-CD 3.49Å; H130-R154 WeakPolarHBondContact CE1-CD 3.42Å; H130-R154 VanDerWaalsContact ND1-CD 3.3Å; H130-R154 WeakPolarHBondContact ND1-CD 3.42Å; H130-R154 VanDerWaalsContact ND1-CG 3.3Å; H130-R154 WeakPolarHBondContact ND1-CG 3.34Å; H130-R154 PolarHBondContact ND1-NE 3.49Å
131	L	89.3	Confident	84.5	Confident	3 Å²	3	30 Å²	30	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	163.3	169.3	-59.6	-178.9	0	0	0	111	V39 K40 A41 Y55 F88 V129 C138 Y156	V39-L131 HydrophobicContact CG1-CB 4.38Å; V39-L131 HydrophobicContact CG1-CD1 4.16Å; K40-L131 CarbonylContact O-C 3.57Å; K40-L131 WeakPolarHBondContact O-CA 3.39Å; A41-L131 HydrophobicContact CB-CD2 3.78Å; Y55-L131 HydrophobicContact CE2-CD2 4.25Å; F88-L131 HydrophobicContact CE2-CD1 4.08Å; V129-L131 HydrophobicContact CG1-CD2 4.15Å; V129-L131 HydrophobicContact CG1-CG 4.27Å; L131-C138 VanDerWaalsContact C-SG 3.56Å; L131-C138 HydrophobicContact CB-CB 3.85Å; L131-C138 WeakPolarHBondContact CB-SG 3.41Å; L131-C138 PolarHBondContact O-N 3.32Å; L131-Y156 HydrophobicContact CD1-CD1 4.47Å; L131-Y156 HydrophobicContact CD1-CE1 3.68Å; L131-Y156 HydrophobicContact CG-CE1 3.88Å
132	L	86.8	Confident	83.7	Confident	5 Å²	5	28.7 Å²	28.7	3%	0.026	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130.7	-178.8	-171.8	86	0	0	0	109.1	K40 I42 L136	K40-L132 HydrophobicContact CB-CB 4.27Å; K40-L132 HydrophobicContact CB-CD2 4.45Å; K40-L132 PolarHBondContact N-O 3.41Å; K40-L132 PolarHBondContact O-N 3.16Å; I42-L132 HydrophobicContact CD1-CB 4.04Å; I42-L132 HydrophobicContact CD1-CD1 4.12Å; I42-L132 HydrophobicContact CG1-CB 4.07Å; L132-L136 WeakPolarHBondContact CA-O 3.39Å
133	V	85.6	Confident	82.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	130.7	174.2	-175	0	0	0	0	107.4	V37 V39 N135 L136 L177 F183	V37-V133 HydrophobicContact CG1-CG1 3.42Å; V37-V133 VanDerWaalsContact CG1-CG1 3.42Å; V39-V133 HydrophobicContact CB-CG2 4.26Å; V39-V133 HydrophobicContact CG1-CG2 3.92Å; V39-V133 HydrophobicContact CG2-CG2 4.03Å; V133-N135 VanDerWaalsContact C-N 3.25Å; V133-N135 PolarHBondContact O-N 2.91Å; V133-L136 PolarHBondContact N-O 3.42Å; V133-L136 WeakPolarHBondContact O-CA 3.44Å; V133-L136 WeakPolarHBondContact O-CB 3.28Å; V133-L136 PolarHBondContact O-N 3.38Å; V133-L177 HydrophobicContact CB-CD1 3.57Å; V133-L177 HydrophobicContact CB-CD2 3.65Å; V133-L177 HydrophobicContact CB-CG 4.22Å; V133-L177 HydrophobicContact CG1-CD1 4.11Å; V133-L177 HydrophobicContact CG1-CD2 3.49Å; V133-L177 VanDerWaalsContact CG1-CD2 3.49Å; V133-L177 HydrophobicContact CG1-CG 4.41Å; V133-L177 HydrophobicContact CG2-CD1 3.96Å; V133-F183 HydrophobicContact CG2-CE2 3.91Å; V133-F183 HydrophobicContact CG2-CZ 4.24Å
134	D	82.4	Confident	82.1	Confident	29 Å²	29	33.9 Å²	33.9	16%	0.155	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	44.6	-176	-171.3	29.3	0	0	0	113.5	F31 L136 L177 R231	F31-D134 HydrophobicContact CE2-CB 4.21Å; D134-L136 PolarHBondContact O-N 3.47Å; D134-L177 HydrophobicContact CB-CD2 4.41Å; D134-R231 IonicContact OD2-CZ 2.73Å; D134-R231 IonicContact OD2-NH1 3.84Å; D134-R231 PolarHBondContact OD2-NH1 2.85Å; D134-R231 IonicContact OD2-NH2 3.95Å; D134-R231 PolarHBondContact OD2-NH2 3.43Å
135	N	80.6	Confident	81.1	Confident	46 Å²	46	31.3 Å²	31.3	25%	0.246	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	9.6	-173.6	-68.7	-39.5	0	0	0	116	V133	V133-N135 VanDerWaalsContact C-N 3.25Å; V133-N135 PolarHBondContact O-N 2.91Å
136	L	82.5	Confident	79.9	Confident	4 Å²	4	36 Å²	36	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.5	172	-71.2	172.4	0	0	0	110.9	L132 V133 D134 R231 W232 Y235	L132-L136 WeakPolarHBondContact CA-O 3.39Å; V133-L136 PolarHBondContact N-O 3.42Å; V133-L136 WeakPolarHBondContact O-CA 3.44Å; V133-L136 WeakPolarHBondContact O-CB 3.28Å; V133-L136 PolarHBondContact O-N 3.38Å; D134-L136 PolarHBondContact O-N 3.47Å; L136-R231 HydrophobicContact CD1-CB 4.4Å; L136-W232 HydrophobicContact CD2-CD2 4.16Å; L136-W232 HydrophobicContact CD2-CG 4.42Å; L136-W232 HydrophobicContact CD2-CZ2 3.98Å; L136-Y235 HydrophobicContact CD2-CE2 4.09Å
137	P	84.7	Confident	78.6	Confident	7 Å²	7	37.5 Å²	37.5	5%	0.045	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130.1	174.2	29.9	-31.6	0	0	0	109.9	A139 R154 W232 Y235 F495	P137-A139 PolarHBondContact O-N 2.84Å; P137-R154 HydrophobicContact CB-CG 4.14Å; P137-W232 VanDerWaalsContact CD-CH2 3.46Å; P137-W232 HydrophobicContact CG-CH2 3.81Å; P137-W232 HydrophobicContact CG-CZ3 4.09Å; P137-Y235 HydrophobicContact CG-CD1 4.47Å; P137-Y235 HydrophobicContact CG-CE1 4.27Å; P137-Y235 VanDerWaalsContact O-CE1 3.23Å; P137-Y235 WeakPolarHBondContact O-CE1 3.24Å; P137-Y235 PolarHBondContact O-OH 3.49Å; P137-F495 HydrophobicContact CG-CZ 3.82Å
138	C	84	Confident	77.2	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.007	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-61.5	137.1	170.7	-64.1	0	0	0	0	110.1	L131 G155 V175	L131-C138 VanDerWaalsContact C-SG 3.56Å; L131-C138 HydrophobicContact CB-CB 3.85Å; L131-C138 WeakPolarHBondContact CB-SG 3.41Å; L131-C138 PolarHBondContact O-N 3.32Å; C138-G155 WeakPolarHBondContact O-CA 3.21Å; C138-G155 PolarHBondContact O-N 2.96Å; C138-V175 HydrophobicContact CB-CB 4.43Å; C138-V175 HydrophobicContact CB-CG1 3.36Å; C138-V175 HydrophobicContact CB-CG2 4.2Å; C138-V175 WeakPolarHBondContact SG-CG1 3.48Å
139	A	80.6	Confident	76	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.9	179.3	0	0	0	0	0	112.1	P137 F152 V153 Y235	P137-A139 PolarHBondContact O-N 2.84Å; A139-F152 HydrophobicContact CB-CB 4.01Å; A139-F152 HydrophobicContact CB-CD1 4.26Å; A139-V153 CarbonylContact C-O 3.51Å; A139-V153 WeakPolarHBondContact CA-O 3.38Å; A139-V153 VanDerWaalsContact CB-O 3.27Å; A139-V153 WeakPolarHBondContact CB-O 3.49Å; A139-Y235 HydrophobicContact CB-CD1 4.23Å; A139-Y235 HydrophobicContact CB-CE1 3.67Å
140	T	78.2	Confident	74.9	Confident	15 Å²	15	47.4 Å²	47.4	9%	0.092	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.4	172.3	-51.6	0	0	0	0	110	R128 F152 V153 G155 Y156 F173	R128-T140 PolarHBondContact NH2-OG1 3.13Å; T140-F152 WeakPolarHBondContact O-CA 3.45Å; T140-V153 PolarHBondContact N-O 3.34Å; T140-V153 PolarHBondContact O-N 3.02Å; T140-G155 PolarHBondContact OG1-O 3.48Å; T140-Y156 WeakPolarHBondContact OG1-CA 3.22Å; T140-F173 HydrophobicContact CG2-CD1 4.13Å
141	R	69.6	Low	73.9	Confident	88 Å²	88	49.2 Å²	49.2	33%	0.332	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	127.2	167.8	-73.1	-173.1	179.1	169.9	3.7	110.3	T151 F152 I176	R141-T151 CarbonylContact C-O 3.59Å; R141-T151 WeakPolarHBondContact CA-O 3.36Å; R141-F152 HydrophobicContact CG-CD1 3.93Å; R141-F152 HydrophobicContact CG-CE1 3.43Å; R141-F152 VanDerWaalsContact CG-CE1 3.43Å; R141-F152 HydrophobicContact CG-CZ 4.03Å; R141-I176 VanDerWaalsContact CD-CD1 3.4Å; R141-I176 HydrophobicContact CG-CD1 3.96Å
142	T	69.2	Low	73.3	Confident	60 Å²	60	50.9 Å²	50.9	37%	0.368	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.4	175.3	-55.3	0	0	0	0	109	V144 Y150 T151	T142-V144 PolarHBondContact O-N 3.23Å; T142-Y150 CarbonylContact O-C 3.57Å; T142-Y150 WeakPolarHBondContact O-CA 3.31Å; T142-T151 PolarHBondContact N-O 2.71Å; T142-T151 PolarHBondContact O-N 3.5Å; T142-T151 PolarHBondContact O-OG1 3.07Å
143	A	68.7	Low	72.8	Confident	78 Å²	78	52.5 Å²	52.5	65%	0.645	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	132.4	175.6	0	0	0	0	0	110.1	Q149	A143-Q149 CarbonylContact C-O 3.45Å; A143-Q149 WeakPolarHBondContact CA-O 3.25Å
144	V	65.4	Low	72.6	Confident	67 Å²	67	54.7 Å²	54.7	41%	0.406	33%	0.329	S	S	.	.			trans	-105.7	107.5	174	-179.7	0	0	0	0	107.7	T142 Q149 T151	T142-V144 PolarHBondContact O-N 3.23Å; V144-Q149 PolarHBondContact N-O 3Å; V144-T151 HydrophobicContact CG2-CG2 3.3Å; V144-T151 VanDerWaalsContact CG2-OG1 3.27Å; V144-T151 WeakPolarHBondContact CG2-OG1 3.26Å
145	G	63.5	Low	72.7	Confident	66 Å²	66	53.4 Å²	53.4	68%	0.68	32%	0.322	S	S	*	.	S	Bend	trans	66.4	-165.3	-179.4	0	0	0	0	0	113.7
146	S	62.9	Low	72.8	Confident	124 Å²	124	51.7 Å²	51.7	87%	0.867	31%	0.313	S	S	*	.	S	Bend	trans	-88.3	-11.9	-173.3	-51.8	0	0	0	0	114	G148	S146-G148 PolarHBondContact O-N 3.41Å; S146-G148 VanDerWaalsContact O-N 3.09Å
147	D	59.5	Low	72.8	Confident	140 Å²	140	52.1 Å²	52.1	75%	0.749	32%	0.316	S	S	*	.	S	Bend	trans	-81.7	14.7	-168	-61	-20.5	0	0	0	114	Q149	D147-Q149 PolarHBondContact O-N 2.98Å; D147-Q149 VanDerWaalsContact O-N 3.13Å
148	G	60.2	Low	72.6	Confident	59 Å²	59	51.9 Å²	51.9	61%	0.608	31%	0.314	S	S	*	.	S	Bend	trans	69.3	5.2	-178.5	0	0	0	0	0	114.8	S146	S146-G148 PolarHBondContact O-N 3.41Å; S146-G148 VanDerWaalsContact O-N 3.09Å
149	Q	63.9	Low	72.1	Confident	96 Å²	96	52.1 Å²	52.1	45%	0.449	32%	0.317	S	S	.	.			trans	-72.8	142	174.6	-67.2	-173	-0.2	0	0	110.7	A143 V144 D147	A143-Q149 CarbonylContact C-O 3.45Å; A143-Q149 WeakPolarHBondContact CA-O 3.25Å; V144-Q149 PolarHBondContact N-O 3Å; D147-Q149 PolarHBondContact O-N 2.98Å; D147-Q149 VanDerWaalsContact O-N 3.13Å
150	Y	66.6	Low	71.5	Confident	104 Å²	104	56.8 Å²	56.8	41%	0.408	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.4	177.1	45.6	-90.9	0	0	0	111.4	T142 F152 H239	T142-Y150 CarbonylContact O-C 3.57Å; T142-Y150 WeakPolarHBondContact O-CA 3.31Å; Y150-F152 AromaticContact CD2-CE2 3.98Å; Y150-F152 HydrophobicContact CD2-CE2 3.98Å; Y150-F152 HydrophobicContact CD2-CZ 4.08Å; Y150-F152 HydrophobicContact CE2-CE2 4.05Å; Y150-F152 HydrophobicContact CE2-CZ 4.06Å; Y150-H239 PolarHBondContact O-NE2 3.28Å; Y150-H239 VanDerWaalsContact O-NE2 3.09Å
151	T	68.6	Low	70.9	Confident	41 Å²	41	58.9 Å²	58.9	25%	0.252	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	154.6	170.2	48.2	0	0	0	0	110.2	R141 T142 V144	R141-T151 CarbonylContact C-O 3.59Å; R141-T151 WeakPolarHBondContact CA-O 3.36Å; T142-T151 PolarHBondContact N-O 2.71Å; T142-T151 PolarHBondContact O-N 3.5Å; T142-T151 PolarHBondContact O-OG1 3.07Å; V144-T151 HydrophobicContact CG2-CG2 3.3Å; V144-T151 VanDerWaalsContact CG2-OG1 3.27Å; V144-T151 WeakPolarHBondContact CG2-OG1 3.26Å
152	F	75	Confident	70.3	Confident	37 Å²	37	59.1 Å²	59.1	16%	0.162	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.4	175.5	-68.5	-83.5	0	0	0	109.2	A139 T140 R141 Y150 K234	A139-F152 HydrophobicContact CB-CB 4.01Å; A139-F152 HydrophobicContact CB-CD1 4.26Å; T140-F152 WeakPolarHBondContact O-CA 3.45Å; R141-F152 HydrophobicContact CG-CD1 3.93Å; R141-F152 HydrophobicContact CG-CE1 3.43Å; R141-F152 VanDerWaalsContact CG-CE1 3.43Å; R141-F152 HydrophobicContact CG-CZ 4.03Å; Y150-F152 AromaticContact CD2-CE2 3.98Å; Y150-F152 HydrophobicContact CD2-CE2 3.98Å; Y150-F152 HydrophobicContact CD2-CZ 4.08Å; Y150-F152 HydrophobicContact CE2-CE2 4.05Å; Y150-F152 HydrophobicContact CE2-CZ 4.06Å; F152-K234 HydrophobicContact CE2-CB 4.42Å
153	V	77.2	Confident	69.7	Low	40 Å²	40	60.9 Å²	60.9	24%	0.242	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.9	175	-177	0	0	0	0	108.7	A139 T140	A139-V153 CarbonylContact C-O 3.51Å; A139-V153 WeakPolarHBondContact CA-O 3.38Å; A139-V153 VanDerWaalsContact CB-O 3.27Å; A139-V153 WeakPolarHBondContact CB-O 3.49Å; T140-V153 PolarHBondContact N-O 3.34Å; T140-V153 PolarHBondContact O-N 3.02Å
154	R	81.6	Confident	69	Low	46 Å²	46	65.1 Å²	65.1	17%	0.174	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	137	-177.7	-161.8	-166.7	163.1	-177.5	-3.6	111.8	R128 H130 P137 F495	R128-R154 PolarHBondContact NE-O 3.33Å; H130-R154 VanDerWaalsContact CE1-CD 3.49Å; H130-R154 WeakPolarHBondContact CE1-CD 3.42Å; H130-R154 VanDerWaalsContact ND1-CD 3.3Å; H130-R154 WeakPolarHBondContact ND1-CD 3.42Å; H130-R154 VanDerWaalsContact ND1-CG 3.3Å; H130-R154 WeakPolarHBondContact ND1-CG 3.34Å; H130-R154 PolarHBondContact ND1-NE 3.49Å; P137-R154 HydrophobicContact CB-CG 4.14Å; R154-F495 HydrophobicContact CG-CZ 4.27Å
155	G	84	Confident	68.1	Low	1 Å²	1	68.3 Å²	68.3	1%	0.01	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	67.6	177.4	-178.2	0	0	0	0	0	112.7	R128 V129 C138 T140	R128-G155 PolarHBondContact NH2-O 3.1Å; V129-G155 CarbonylContact O-C 3.5Å; V129-G155 WeakPolarHBondContact O-CA 3.13Å; C138-G155 WeakPolarHBondContact O-CA 3.21Å; C138-G155 PolarHBondContact O-N 2.96Å; T140-G155 PolarHBondContact OG1-O 3.48Å
156	Y	83.2	Confident	67.2	Low	11 Å²	11	66.8 Å²	66.8	4%	0.043	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.7	173.7	66.2	-89.2	0	0	0	111	R128 V129 L131 T140 F173 E185	R128-Y156 CarbonylContact C-O 3.34Å; R128-Y156 WeakPolarHBondContact CA-O 3.23Å; R128-Y156 WeakPolarHBondContact CB-O 3.35Å; V129-Y156 HydrophobicContact CB-CD1 3.84Å; V129-Y156 HydrophobicContact CB-CD2 4.19Å; V129-Y156 HydrophobicContact CB-CE1 3.42Å; V129-Y156 VanDerWaalsContact CB-CE1 3.42Å; V129-Y156 HydrophobicContact CB-CE2 3.85Å; V129-Y156 HydrophobicContact CB-CG 4.21Å; V129-Y156 VanDerWaalsContact CB-CZ 3.46Å; V129-Y156 HydrophobicContact CG1-CD1 4.25Å; V129-Y156 HydrophobicContact CG1-CE1 3.44Å; V129-Y156 VanDerWaalsContact CG1-CE1 3.44Å; V129-Y156 HydrophobicContact CG1-CE2 4.42Å; V129-Y156 HydrophobicContact CG2-CD2 4.27Å; V129-Y156 HydrophobicContact CG2-CE1 4.2Å; V129-Y156 HydrophobicContact CG2-CE2 3.73Å; V129-Y156 PolarHBondContact N-O 2.84Å; V129-Y156 PolarHBondContact O-N 3.31Å; L131-Y156 HydrophobicContact CD1-CD1 4.47Å; L131-Y156 HydrophobicContact CD1-CE1 3.68Å; L131-Y156 HydrophobicContact CG-CE1 3.88Å; T140-Y156 WeakPolarHBondContact OG1-CA 3.22Å; Y156-F173 AromaticContact CD2-CD2 3.37Å; Y156-F173 HydrophobicContact CD2-CD2 3.37Å; Y156-F173 AromaticContact CD2-CE2 3.72Å; Y156-F173 HydrophobicContact CD2-CE2 3.72Å; Y156-F173 HydrophobicContact CD2-CG 4.15Å; Y156-F173 HydrophobicContact CE2-CD2 4.25Å; Y156-F173 HydrophobicContact CG-CB 4.44Å; Y156-F173 AromaticContact CG-CD2 3.89Å; Y156-F173 HydrophobicContact CG-CD2 3.89Å; Y156-F173 HydrophobicContact CG-CE2 4.45Å; Y156-F173 HydrophobicContact CG-CG 4.21Å; Y156-E185 PolarHBondContact OH-OE2 2.8Å
157	P	82.6	Confident	66.3	Low	13 Å²	13	63.1 Å²	63.1	8%	0.084	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	137.3	173.1	-4.6	9.3	0	0	0	111.5	G159 F160 F173	P157-G159 PolarHBondContact O-N 3.5Å; P157-F160 HydrophobicContact CB-CE1 4.2Å; P157-F160 HydrophobicContact CB-CE2 4.46Å; P157-F160 HydrophobicContact CB-CZ 3.99Å; P157-F160 HydrophobicContact CG-CE1 4.07Å; P157-F160 HydrophobicContact CG-CE2 4.28Å; P157-F160 HydrophobicContact CG-CZ 3.58Å; P157-F173 HydrophobicContact CB-CE1 4.32Å; P157-F173 HydrophobicContact CB-CE2 4.46Å; P157-F173 HydrophobicContact CB-CZ 3.7Å; P157-F173 HydrophobicContact CG-CD1 4.42Å; P157-F173 HydrophobicContact CG-CE1 3.39Å; P157-F173 HydrophobicContact CG-CE2 4.31Å; P157-F173 HydrophobicContact CG-CZ 3.27Å; P157-F173 WeakPolarHBondContact O-CE2 3.05Å; P157-F173 VanDerWaalsContact O-CZ 3.28Å; P157-F173 WeakPolarHBondContact O-CZ 3.41Å
158	L	80	Confident	65.5	Low	2 Å²	2	58.7 Å²	58.7	1%	0.01	33%	0.331	C	S	.	.	S	Bend	trans	-62.7	-30.2	175.8	-178.2	64.1	0	0	0	112.5	L58 F60 R122 I123 Y127 V129	L58-L158 HydrophobicContact CD1-CD1 3.84Å; L58-L158 HydrophobicContact CD1-CD2 3.46Å; L58-L158 VanDerWaalsContact CD1-CD2 3.46Å; L58-L158 HydrophobicContact CD1-CG 4.31Å; F60-L158 HydrophobicContact CE1-CD1 3.97Å; F60-L158 HydrophobicContact CZ-CD1 3.49Å; F60-L158 VanDerWaalsContact CZ-CD1 3.49Å; R122-L158 HydrophobicContact CB-CD2 3.52Å; I123-L158 HydrophobicContact CG1-CB 4.33Å; I123-L158 HydrophobicContact CG1-CD2 3.9Å; I123-L158 HydrophobicContact CG1-CG 3.84Å; Y127-L158 VanDerWaalsContact O-CB 3.29Å; Y127-L158 WeakPolarHBondContact O-CB 3.26Å; Y127-L158 PolarHBondContact O-N 2.94Å; V129-L158 HydrophobicContact CG2-CD1 3.97Å
159	G	72.7	Confident	64.6	Low	6 Å²	6	59.8 Å²	59.8	6%	0.062	32%	0.323	C	S	.	.			trans	173.4	-178.3	178.8	0	0	0	0	0	110.4	P157	P157-G159 PolarHBondContact O-N 3.5Å
160	F	69.3	Low	63.5	Low	99 Å²	99	56 Å²	56	43%	0.434	31%	0.305	S	S	.	.			trans	-128.6	148.1	178.6	-60.1	-81.4	0	0	0	110.3	P157 S171 F173	P157-F160 HydrophobicContact CB-CE1 4.2Å; P157-F160 HydrophobicContact CB-CE2 4.46Å; P157-F160 HydrophobicContact CB-CZ 3.99Å; P157-F160 HydrophobicContact CG-CE1 4.07Å; P157-F160 HydrophobicContact CG-CE2 4.28Å; P157-F160 HydrophobicContact CG-CZ 3.58Å; F160-S171 VanDerWaalsContact CE2-OG 3.29Å; F160-S171 WeakPolarHBondContact CE2-OG 3.4Å; F160-F173 HydrophobicContact CE2-CE1 4.04Å; F160-F173 AromaticContact CE2-CZ 3.67Å; F160-F173 HydrophobicContact CE2-CZ 3.67Å; F160-F173 HydrophobicContact CZ-CE1 4.12Å; F160-F173 HydrophobicContact CZ-CZ 4.03Å
161	A	64.2	Low	62.1	Low	59 Å²	59	52 Å²	52	49%	0.488	29%	0.292	S	S	.	.			trans	-103.6	125.9	170.7	0	0	0	0	0	109.1
162	I	57.8	Low	60.5	Low	93 Å²	93	54.4 Å²	54.4	48%	0.477	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-114.3	119.4	-180	-57.5	175.2	0	0	0	108	N164 E165 L169	I162-N164 PolarHBondContact O-N 2.93Å; I162-E165 PolarHBondContact N-O 3.02Å; I162-E165 VanDerWaalsContact N-O 3.17Å; I162-E165 PolarHBondContact O-N 2.98Å; I162-E165 VanDerWaalsContact O-N 3.12Å; I162-L169 HydrophobicContact CD1-CD1 4.05Å
163	A	57.5	Low	58.8	Low	97 Å²	97	53.4 Å²	53.4	80%	0.802	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	49	171.8	0	0	0	0	0	115.6	E165	A163-E165 PolarHBondContact O-N 3.09Å
164	N	53.5	Low	56.9	Low	166 Å²	166	54 Å²	54	89%	0.888	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	-12.7	-177.2	-76.1	-14.9	0	0	0	116.9	I162	I162-N164 PolarHBondContact O-N 2.93Å
165	E	47.1	Very low	54.8	Low	135 Å²	135	51.8 Å²	51.8	63%	0.631	30%	0.297	S	S	*	.	B	Isolated β-bridge	trans	-79.6	122	162.4	-71.1	-173.8	-180	0	0	108.6	I162 A163 T167	I162-E165 PolarHBondContact N-O 3.02Å; I162-E165 VanDerWaalsContact N-O 3.17Å; I162-E165 PolarHBondContact O-N 2.98Å; I162-E165 VanDerWaalsContact O-N 3.12Å; A163-E165 PolarHBondContact O-N 3.09Å; E165-T167 PolarHBondContact O-N 3.25Å
166	V	44.3	Very low	52.5	Low	34 Å²	34	52.2 Å²	52.2	21%	0.206	30%	0.299	C	S	.	.			trans	-77.6	83.3	170.7	-176.4	0	0	0	0	105.8	I120 I123 K124 I168	I120-V166 HydrophobicContact CB-CG1 4.38Å; I120-V166 HydrophobicContact CG1-CG1 4.04Å; I120-V166 HydrophobicContact CG2-CB 4.2Å; I120-V166 HydrophobicContact CG2-CG1 4.03Å; I120-V166 HydrophobicContact CG2-CG2 3.76Å; I123-V166 HydrophobicContact CD1-CG1 4.5Å; I123-V166 HydrophobicContact CG2-CG1 4.23Å; K124-V166 HydrophobicContact CG-CG2 4.38Å; V166-I168 VanDerWaalsContact C-N 3.34Å; V166-I168 HydrophobicContact CG1-CG1 4.14Å; V166-I168 PolarHBondContact O-N 3.14Å
167	T	42.9	Very low	50.5	Low	47 Å²	47	52 Å²	52	29%	0.288	30%	0.298	S	S	.	.			trans	-68.9	102.8	163.9	-29.7	0	0	0	0	105.6	E165 L169	E165-T167 PolarHBondContact O-N 3.25Å; T167-L169 HydrophobicContact CG2-CD1 4.35Å; T167-L169 HydrophobicContact CG2-CD2 3.87Å; T167-L169 HydrophobicContact CG2-CG 3.68Å; T167-L169 PolarHBondContact O-N 3.44Å
168	I	42.8	Very low	48.5	Very low	46 Å²	46	52 Å²	52	24%	0.236	30%	0.298	C	S	.	.			trans	-68.5	74.1	162.4	-51.2	178.2	0	0	0	105.7	M119 I120 I123 V166 L170 L213	M119-I168 HydrophobicContact SD-CD1 4.5Å; I120-I168 HydrophobicContact CG1-CD1 4.12Å; I123-I168 HydrophobicContact CD1-CB 4.32Å; I123-I168 HydrophobicContact CD1-CD1 4.36Å; I123-I168 HydrophobicContact CD1-CG1 3.8Å; I123-I168 HydrophobicContact CD1-CG2 3.99Å; V166-I168 VanDerWaalsContact C-N 3.34Å; V166-I168 HydrophobicContact CG1-CG1 4.14Å; V166-I168 PolarHBondContact O-N 3.14Å; I168-L170 HydrophobicContact CG2-CD2 4.41Å; I168-L170 HydrophobicContact CG2-CG 4.05Å; I168-L170 PolarHBondContact O-N 2.65Å; I168-L170 VanDerWaalsContact O-N 3.1Å; I168-L213 HydrophobicContact CG2-CD1 4.43Å
169	L	42.2	Very low	46.3	Very low	83 Å²	83	54.3 Å²	54.3	44%	0.435	31%	0.312	S	S	.	.			trans	-72.8	95.8	154.7	-62.9	173.9	0	0	0	102.8	I162 T167 S171	I162-L169 HydrophobicContact CD1-CD1 4.05Å; T167-L169 HydrophobicContact CG2-CD1 4.35Å; T167-L169 HydrophobicContact CG2-CD2 3.87Å; T167-L169 HydrophobicContact CG2-CG 3.68Å; T167-L169 PolarHBondContact O-N 3.44Å; L169-S171 PolarHBondContact O-N 3.14Å
170	L	40.5	Very low	44.2	Very low	15 Å²	15	54.1 Å²	54.1	8%	0.079	31%	0.31	C	S	.	.			trans	-59.8	80.7	148.6	-72.1	173.9	0	0	0	104.7	I168 L213 W215	I168-L170 HydrophobicContact CG2-CD2 4.41Å; I168-L170 HydrophobicContact CG2-CG 4.05Å; I168-L170 PolarHBondContact O-N 2.65Å; I168-L170 VanDerWaalsContact O-N 3.1Å; L170-L213 HydrophobicContact CD1-CD1 4.17Å; L170-L213 HydrophobicContact CD1-CD2 3.59Å; L170-L213 HydrophobicContact CD1-CG 3.97Å; L170-W215 HydrophobicContact CD1-CD2 4.39Å; L170-W215 HydrophobicContact CD1-CE3 3.58Å; L170-W215 HydrophobicContact CD1-CH2 4.16Å; L170-W215 HydrophobicContact CD1-CZ3 3.46Å; L170-W215 VanDerWaalsContact CD1-CZ3 3.46Å; L170-W215 HydrophobicContact CD2-CE3 4.3Å; L170-W215 HydrophobicContact CD2-CH2 4.07Å; L170-W215 HydrophobicContact CD2-CZ3 3.44Å; L170-W215 VanDerWaalsContact CD2-CZ3 3.44Å; L170-W215 HydrophobicContact CG-CZ3 4.09Å
171	S	37.3	Very low	42.6	Very low	20 Å²	20	49.4 Å²	49.4	14%	0.14	29%	0.289	C	S	.	.			trans	-77.7	146	-164.3	51.5	0	0	0	0	108.7	F160 L169 F173	F160-S171 VanDerWaalsContact CE2-OG 3.29Å; F160-S171 WeakPolarHBondContact CE2-OG 3.4Å; L169-S171 PolarHBondContact O-N 3.14Å; S171-F173 WeakPolarHBondContact O-CD2 3.34Å; S171-F173 VanDerWaalsContact O-CE2 3.24Å; S171-F173 WeakPolarHBondContact O-CE2 3.45Å; S171-F173 PolarHBondContact O-N 3.47Å; S171-F173 WeakPolarHBondContact OG-CE2 3.42Å; S171-F173 WeakPolarHBondContact OG-CZ 3.47Å
172	N	35	Very low	41	Very low	92 Å²	92	47.1 Å²	47.1	49%	0.492	27%	0.269	S	S	.	.			trans	-42.3	107.4	168.6	-59.2	-24.9	0	0	0	111.6	C184	N172-C184 WeakPolarHBondContact CA-SG 3.1Å; N172-C184 VanDerWaalsContact CB-SG 3.54Å; N172-C184 VanDerWaalsContact CG-SG 3.59Å; N172-C184 PolarHBondContact OD1-SG 3.06Å
173	F	39.6	Very low	40	Very low	16 Å²	16	43.1 Å²	43.1	7%	0.07	25%	0.248	C	C	.	.			trans	-110.5	118.5	168.6	-67.6	-63.3	0	0	0	109.8	T140 Y156 P157 F160 S171 V175 F183	T140-F173 HydrophobicContact CG2-CD1 4.13Å; Y156-F173 AromaticContact CD2-CD2 3.37Å; Y156-F173 HydrophobicContact CD2-CD2 3.37Å; Y156-F173 AromaticContact CD2-CE2 3.72Å; Y156-F173 HydrophobicContact CD2-CE2 3.72Å; Y156-F173 HydrophobicContact CD2-CG 4.15Å; Y156-F173 HydrophobicContact CE2-CD2 4.25Å; Y156-F173 HydrophobicContact CG-CB 4.44Å; Y156-F173 AromaticContact CG-CD2 3.89Å; Y156-F173 HydrophobicContact CG-CD2 3.89Å; Y156-F173 HydrophobicContact CG-CE2 4.45Å; Y156-F173 HydrophobicContact CG-CG 4.21Å; P157-F173 HydrophobicContact CB-CE1 4.32Å; P157-F173 HydrophobicContact CB-CE2 4.46Å; P157-F173 HydrophobicContact CB-CZ 3.7Å; P157-F173 HydrophobicContact CG-CD1 4.42Å; P157-F173 HydrophobicContact CG-CE1 3.39Å; P157-F173 HydrophobicContact CG-CE2 4.31Å; P157-F173 HydrophobicContact CG-CZ 3.27Å; P157-F173 WeakPolarHBondContact O-CE2 3.05Å; P157-F173 VanDerWaalsContact O-CZ 3.28Å; P157-F173 WeakPolarHBondContact O-CZ 3.41Å; F160-F173 HydrophobicContact CE2-CE1 4.04Å; F160-F173 AromaticContact CE2-CZ 3.67Å; F160-F173 HydrophobicContact CE2-CZ 3.67Å; F160-F173 HydrophobicContact CZ-CE1 4.12Å; F160-F173 HydrophobicContact CZ-CZ 4.03Å; S171-F173 WeakPolarHBondContact O-CD2 3.34Å; S171-F173 VanDerWaalsContact O-CE2 3.24Å; S171-F173 WeakPolarHBondContact O-CE2 3.45Å; S171-F173 PolarHBondContact O-N 3.47Å; S171-F173 WeakPolarHBondContact OG-CE2 3.42Å; S171-F173 WeakPolarHBondContact OG-CZ 3.47Å; F173-V175 PolarHBondContact O-N 3.27Å; F173-F183 CarbonylContact O-C 3.55Å
174	S	36.5	Very low	38.9	Very low	52 Å²	52	39.1 Å²	39.1	36%	0.364	21%	0.214	S	C	.	.			trans	-79.2	97.8	163.2	43.1	0	0	0	0	108.1	I176	S174-I176 PolarHBondContact O-N 3.42Å
175	V	37.1	Very low	37.8	Very low	1 Å²	1	31.7 Å²	31.7	1%	0.006	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-77.5	111.8	165.2	170.5	0	0	0	0	107.2	C138 F173 L177 V181 D182 F183	C138-V175 HydrophobicContact CB-CB 4.43Å; C138-V175 HydrophobicContact CB-CG1 3.36Å; C138-V175 HydrophobicContact CB-CG2 4.2Å; C138-V175 WeakPolarHBondContact SG-CG1 3.48Å; F173-V175 PolarHBondContact O-N 3.27Å; V175-L177 HydrophobicContact CG1-CD1 4.34Å; V175-V181 CarbonylContact O-C 3.49Å; V175-V181 VanDerWaalsContact O-C 3.28Å; V175-D182 WeakPolarHBondContact O-CA 3.45Å; V175-F183 HydrophobicContact CB-CB 3.96Å; V175-F183 HydrophobicContact CB-CD2 4Å; V175-F183 HydrophobicContact CB-CG 4.47Å; V175-F183 HydrophobicContact CG1-CD2 3.98Å; V175-F183 HydrophobicContact CG2-CB 4.03Å
176	I	37	Very low	37.1	Very low	9 Å²	9	26.5 Å²	26.5	5%	0.046	15%	0.15	C	C	.	.			trans	-100.6	107.1	-179.2	-69.2	154.5	0	0	0	109.6	R141 S174 A180 D182	R141-I176 VanDerWaalsContact CD-CD1 3.4Å; R141-I176 HydrophobicContact CG-CD1 3.96Å; S174-I176 PolarHBondContact O-N 3.42Å; I176-A180 HydrophobicContact CG2-CB 4.32Å; I176-D182 WeakPolarHBondContact CG1-OD1 3.23Å
177	L	40.7	Very low	36.4	Very low	6 Å²	6	28.3 Å²	28.3	3%	0.031	16%	0.164	C	C	.	.			trans	-75.2	154.2	157.4	-104.2	83.2	0	0	0	109.8	V133 D134 V175 T179 A180 V181	V133-L177 HydrophobicContact CB-CD1 3.57Å; V133-L177 HydrophobicContact CB-CD2 3.65Å; V133-L177 HydrophobicContact CB-CG 4.22Å; V133-L177 HydrophobicContact CG1-CD1 4.11Å; V133-L177 HydrophobicContact CG1-CD2 3.49Å; V133-L177 VanDerWaalsContact CG1-CD2 3.49Å; V133-L177 HydrophobicContact CG1-CG 4.41Å; V133-L177 HydrophobicContact CG2-CD1 3.96Å; D134-L177 HydrophobicContact CB-CD2 4.41Å; V175-L177 HydrophobicContact CG1-CD1 4.34Å; L177-T179 CarbonylContact C-O 3.27Å; L177-T179 WeakPolarHBondContact CB-O 3.42Å; L177-T179 CarbonylContact O-C 3.41Å; L177-T179 VanDerWaalsContact O-C 3.24Å; L177-T179 PolarHBondContact O-N 2.99Å; L177-T179 VanDerWaalsContact O-N 3.12Å; L177-A180 WeakPolarHBondContact O-CA 3.46Å; L177-A180 PolarHBondContact O-N 3.44Å; L177-V181 HydrophobicContact CB-CB 4.48Å; L177-V181 HydrophobicContact CB-CG2 4.18Å
178	I	40.9	Very low	36.1	Very low	15 Å²	15	29 Å²	29	8%	0.077	17%	0.165	C	C	.	.	S	Bend	trans	-82.5	15.3	-176.4	-71.2	164.8	0	0	0	112.4	S224 I226 R231 K234 Y235	I178-S224 VanDerWaalsContact CG2-OG 3.23Å; I178-S224 WeakPolarHBondContact CG2-OG 3.21Å; I178-S224 VanDerWaalsContact O-CB 3.3Å; I178-S224 WeakPolarHBondContact O-CB 3.33Å; I178-S224 PolarHBondContact O-OG 2.99Å; I178-I226 HydrophobicContact CG2-CB 3.97Å; I178-I226 HydrophobicContact CG2-CD1 3.82Å; I178-I226 HydrophobicContact CG2-CG1 4.39Å; I178-I226 HydrophobicContact CG2-CG2 4.44Å; I178-R231 HydrophobicContact CB-CG 4.44Å; I178-R231 WeakPolarHBondContact CD1-O 3.37Å; I178-R231 HydrophobicContact CG2-CG 4.06Å; I178-K234 HydrophobicContact CD1-CB 3.58Å; I178-K234 HydrophobicContact CD1-CG 3.76Å; I178-Y235 HydrophobicContact CD1-CE2 4.26Å
179	T	34.2	Very low	35.7	Very low	49 Å²	49	29.7 Å²	29.7	30%	0.301	18%	0.184	S	C	.	.	S	Bend	trans	-124.5	105.2	140.4	45.9	0	0	0	0	101.6	M92 L177 V181 W221	M92-T179 HydrophobicContact CE-CG2 4.43Å; L177-T179 CarbonylContact C-O 3.27Å; L177-T179 WeakPolarHBondContact CB-O 3.42Å; L177-T179 CarbonylContact O-C 3.41Å; L177-T179 VanDerWaalsContact O-C 3.24Å; L177-T179 PolarHBondContact O-N 2.99Å; L177-T179 VanDerWaalsContact O-N 3.12Å; T179-V181 WeakPolarHBondContact O-CG2 3.41Å; T179-V181 PolarHBondContact O-N 3.25Å; T179-W221 WeakPolarHBondContact O-CZ3 3.16Å
180	A	29	Very low	35	Very low	2 Å²	2	31.7 Å²	31.7	2%	0.017	19%	0.194	C	C	.	.			trans	-54.7	141.1	-156.3	0	0	0	0	0	112	I176 L177 L220 W221 R222	I176-A180 HydrophobicContact CG2-CB 4.32Å; L177-A180 WeakPolarHBondContact O-CA 3.46Å; L177-A180 PolarHBondContact O-N 3.44Å; A180-L220 CarbonylContact C-O 3.59Å; A180-L220 WeakPolarHBondContact CB-O 3.43Å; A180-L220 VanDerWaalsContact O-O 3.12Å; A180-W221 WeakPolarHBondContact O-CA 3.38Å; A180-W221 WeakPolarHBondContact O-CB 3.35Å; A180-R222 HydrophobicContact CB-CB 3.51Å; A180-R222 HydrophobicContact CB-CG 3.69Å; A180-R222 PolarHBondContact N-O 3.4Å
181	V	33.8	Very low	34.7	Very low	0 Å²	0	37 Å²	37	0%	0	22%	0.222	C	C	.	.			trans	-141.9	76.7	172.8	-173.2	0	0	0	0	104.4	V90 V175 L177 T179 F183 V219 L220 W221	V90-V181 HydrophobicContact CB-CG1 4.5Å; V90-V181 HydrophobicContact CG1-CG1 3.49Å; V90-V181 VanDerWaalsContact CG1-CG1 3.49Å; V90-V181 HydrophobicContact CG2-CG1 4.31Å; V175-V181 CarbonylContact O-C 3.49Å; V175-V181 VanDerWaalsContact O-C 3.28Å; L177-V181 HydrophobicContact CB-CB 4.48Å; L177-V181 HydrophobicContact CB-CG2 4.18Å; T179-V181 WeakPolarHBondContact O-CG2 3.41Å; T179-V181 PolarHBondContact O-N 3.25Å; V181-F183 HydrophobicContact CB-CD2 4.24Å; V181-F183 HydrophobicContact CB-CE2 3.76Å; V181-F183 HydrophobicContact CB-CZ 4.48Å; V181-F183 HydrophobicContact CG1-CD2 3.82Å; V181-F183 HydrophobicContact CG1-CE1 4.31Å; V181-F183 HydrophobicContact CG1-CE2 3.2Å; V181-F183 HydrophobicContact CG1-CZ 3.49Å; V181-F183 VanDerWaalsContact CG1-CZ 3.49Å; V181-F183 WeakPolarHBondContact O-CD2 3.31Å; V181-F183 PolarHBondContact O-N 2.92Å; V181-V219 HydrophobicContact CB-CG1 4.34Å; V181-V219 HydrophobicContact CG1-CB 4.32Å; V181-V219 HydrophobicContact CG1-CG1 3.43Å; V181-V219 VanDerWaalsContact CG1-CG1 3.43Å; V181-V219 HydrophobicContact CG1-CG2 4.09Å; V181-L220 WeakPolarHBondContact CA-O 3.38Å; V181-L220 PolarHBondContact N-O 3.04Å; V181-W221 HydrophobicContact CB-CH2 4.38Å; V181-W221 HydrophobicContact CB-CZ2 4.29Å; V181-W221 HydrophobicContact CG1-CZ2 4.09Å; V181-W221 HydrophobicContact CG2-CD2 3.83Å; V181-W221 HydrophobicContact CG2-CE3 3.61Å; V181-W221 HydrophobicContact CG2-CH2 3.03Å; V181-W221 HydrophobicContact CG2-CZ2 3.28Å; V181-W221 HydrophobicContact CG2-CZ3 3.2Å
182	D	31.1	Very low	34.8	Very low	12 Å²	12	40.4 Å²	40.4	6%	0.064	24%	0.244	C	C	.	.			trans	-68.9	94.7	-174.9	-64.5	-15.1	0	0	0	111.5	V175 I176 C184 S218 V219 L220 R222	V175-D182 WeakPolarHBondContact O-CA 3.45Å; I176-D182 WeakPolarHBondContact CG1-OD1 3.23Å; D182-C184 PolarHBondContact O-N 3.49Å; D182-C184 VanDerWaalsContact O-N 3.16Å; D182-S218 CarbonylContact C-O 3.39Å; D182-S218 CarbonylContact O-C 3.4Å; D182-S218 PolarHBondContact O-OG 3.45Å; D182-V219 WeakPolarHBondContact O-CA 3.46Å; D182-V219 PolarHBondContact O-N 3.46Å; D182-L220 HydrophobicContact CB-CB 3.64Å; D182-L220 PolarHBondContact N-O 2.72Å; D182-L220 PolarHBondContact O-N 3.43Å; D182-L220 WeakPolarHBondContact OD2-CB 3.34Å; D182-L220 WeakPolarHBondContact OD2-CD2 3.38Å; D182-R222 IonicContact OD2-NE 3.69Å; D182-R222 IonicContact OD2-NH2 3.47Å
183	F	36.2	Very low	35.1	Very low	9 Å²	9	42 Å²	42	4%	0.039	26%	0.257	C	S	.	.			trans	-73	83.2	176.5	-72.1	-86.2	0	0	0	115	V39 F88 V90 V133 F173 V175 V181 E185 Y217 S218 V219	V39-F183 HydrophobicContact CB-CZ 4.44Å; V39-F183 HydrophobicContact CG1-CZ 4.45Å; V39-F183 HydrophobicContact CG2-CE1 3.46Å; V39-F183 VanDerWaalsContact CG2-CE1 3.46Å; V39-F183 HydrophobicContact CG2-CE2 4.22Å; V39-F183 HydrophobicContact CG2-CZ 3.2Å; F88-F183 HydrophobicContact CB-CE1 4.35Å; F88-F183 HydrophobicContact CD1-CD1 4.46Å; F88-F183 HydrophobicContact CG-CE1 4.49Å; V90-F183 HydrophobicContact CB-CE1 4.28Å; V90-F183 HydrophobicContact CB-CZ 4.06Å; V90-F183 HydrophobicContact CG1-CZ 4.27Å; V90-F183 HydrophobicContact CG2-CD1 4.12Å; V90-F183 HydrophobicContact CG2-CE1 3.02Å; V90-F183 HydrophobicContact CG2-CE2 4.44Å; V90-F183 HydrophobicContact CG2-CZ 3.21Å; V133-F183 HydrophobicContact CG2-CE2 3.91Å; V133-F183 HydrophobicContact CG2-CZ 4.24Å; F173-F183 CarbonylContact O-C 3.55Å; V175-F183 HydrophobicContact CB-CB 3.96Å; V175-F183 HydrophobicContact CB-CD2 4Å; V175-F183 HydrophobicContact CB-CG 4.47Å; V175-F183 HydrophobicContact CG1-CD2 3.98Å; V175-F183 HydrophobicContact CG2-CB 4.03Å; V181-F183 HydrophobicContact CB-CD2 4.24Å; V181-F183 HydrophobicContact CB-CE2 3.76Å; V181-F183 HydrophobicContact CB-CZ 4.48Å; V181-F183 HydrophobicContact CG1-CD2 3.82Å; V181-F183 HydrophobicContact CG1-CE1 4.31Å; V181-F183 HydrophobicContact CG1-CE2 3.2Å; V181-F183 HydrophobicContact CG1-CZ 3.49Å; V181-F183 VanDerWaalsContact CG1-CZ 3.49Å; V181-F183 WeakPolarHBondContact O-CD2 3.31Å; V181-F183 PolarHBondContact O-N 2.92Å; F183-E185 PolarHBondContact O-N 3.3Å; F183-Y217 HydrophobicContact CD1-CD2 4.05Å; F183-Y217 HydrophobicContact CE1-CD2 4.39Å; F183-S218 CarbonylContact C-O 3.56Å; F183-S218 WeakPolarHBondContact CA-O 3.36Å; F183-V219 HydrophobicContact CD1-CG2 4.49Å; F183-V219 HydrophobicContact CE1-CG2 4.44Å
184	C	34.4	Very low	34.6	Very low	13 Å²	13	49.8 Å²	49.8	9%	0.088	30%	0.298	C	S	.	.			trans	-85.7	106.5	177.9	-164.6	0	0	0	0	111.9	N172 D182 Q186 Y217 S218	N172-C184 WeakPolarHBondContact CA-SG 3.1Å; N172-C184 VanDerWaalsContact CB-SG 3.54Å; N172-C184 VanDerWaalsContact CG-SG 3.59Å; N172-C184 PolarHBondContact OD1-SG 3.06Å; D182-C184 PolarHBondContact O-N 3.49Å; D182-C184 VanDerWaalsContact O-N 3.16Å; C184-Q186 PolarHBondContact O-N 3.31Å; C184-Y217 CarbonylContact O-C 3.24Å; C184-Y217 WeakPolarHBondContact O-CA 3.47Å; C184-S218 VanDerWaalsContact CB-CB 3.43Å; C184-S218 WeakPolarHBondContact CB-OG 3.38Å; C184-S218 PolarHBondContact N-O 3.11Å; C184-S218 PolarHBondContact N-OG 2.86Å; C184-S218 PolarHBondContact O-N 3.41Å
185	E	30.7	Very low	34.7	Very low	10 Å²	10	50.7 Å²	50.7	5%	0.047	30%	0.297	C	S	.	.			trans	-78.3	117.2	177.4	-144.4	173.5	-180	0	0	110.7	Y156 F183 W215 S216	Y156-E185 PolarHBondContact OH-OE2 2.8Å; F183-E185 PolarHBondContact O-N 3.3Å; E185-W215 HydrophobicContact CG-CE3 4.34Å; E185-S216 CarbonylContact C-O 3.38Å; E185-S216 WeakPolarHBondContact CA-O 3.35Å; E185-S216 WeakPolarHBondContact CG-O 3.48Å
186	Q	33	Very low	34.3	Very low	25 Å²	25	57.7 Å²	57.7	12%	0.117	33%	0.329	C	S	.	.			trans	-123.8	156.5	-178.3	-32.6	164.8	-9.1	0	0	113.8	A97 C98 C184 C200 W215 S216	A97-Q186 PolarHBondContact O-NE2 3.48Å; C98-Q186 PolarHBondContact SG-OE1 2.8Å; C184-Q186 PolarHBondContact O-N 3.31Å; Q186-C200 PolarHBondContact NE2-SG 3.47Å; Q186-C200 PolarHBondContact OE1-SG 3.28Å; Q186-W215 CarbonylContact O-C 3.28Å; Q186-S216 VanDerWaalsContact C-OG 3.3Å; Q186-S216 WeakPolarHBondContact CA-OG 3.25Å; Q186-S216 WeakPolarHBondContact CB-OG 3.46Å; Q186-S216 WeakPolarHBondContact CG-OG 3.22Å; Q186-S216 PolarHBondContact N-O 3.08Å; Q186-S216 VanDerWaalsContact N-O 3.14Å; Q186-S216 PolarHBondContact N-OG 3.42Å; Q186-S216 WeakPolarHBondContact O-CA 3.21Å; Q186-S216 WeakPolarHBondContact O-CB 3.48Å; Q186-S216 PolarHBondContact O-N 2.87Å; Q186-S216 PolarHBondContact O-OG 3.23Å
187	S	29.1	Very low	34.2	Very low	72 Å²	72	63.8 Å²	63.8	50%	0.503	36%	0.36	S	S	.	.			trans	-110	135.1	171.1	64.3	0	0	0	0	112.2	Y214	S187-Y214 VanDerWaalsContact CA-O 3.28Å; S187-Y214 WeakPolarHBondContact CA-O 3.19Å; S187-Y214 WeakPolarHBondContact CB-O 3.35Å
188	L	37.3	Very low	33.7	Very low	62 Å²	62	69.8 Å²	69.8	33%	0.325	39%	0.392	S	S	.	.			trans	-80.5	158.6	-173.5	-167.2	74.5	0	0	0	115.5	L100 Y214	L100-L188 HydrophobicContact CD1-CD1 3.65Å; L100-L188 HydrophobicContact CD1-CD2 3.75Å; L100-L188 HydrophobicContact CD1-CG 4.25Å; L100-L188 HydrophobicContact CD2-CB 3.82Å; L100-L188 HydrophobicContact CD2-CD1 3.78Å; L100-L188 HydrophobicContact CD2-CD2 4.07Å; L100-L188 HydrophobicContact CD2-CG 4.09Å; L100-L188 HydrophobicContact CG-CD1 4.18Å; L188-Y214 HydrophobicContact CB-CD1 3.74Å; L188-Y214 HydrophobicContact CB-CD2 3.71Å; L188-Y214 HydrophobicContact CB-CE1 4.27Å; L188-Y214 HydrophobicContact CB-CE2 4.24Å; L188-Y214 HydrophobicContact CB-CG 3.42Å; L188-Y214 VanDerWaalsContact CB-CG 3.42Å; L188-Y214 HydrophobicContact CD2-CD1 3.73Å; L188-Y214 HydrophobicContact CD2-CE1 3.59Å; L188-Y214 HydrophobicContact CD2-CG 4.29Å; L188-Y214 HydrophobicContact CG-CD1 4.38Å; L188-Y214 HydrophobicContact CG-CG 4.47Å; L188-Y214 VanDerWaalsContact N-CB 3.29Å; L188-Y214 VanDerWaalsContact O-CD2 3.23Å; L188-Y214 WeakPolarHBondContact O-CD2 3.4Å
189	G	33.3	Very low	33.4	Very low	60 Å²	60	73.5 Å²	73.5	62%	0.619	41%	0.411	S	S	*	.			trans	-179	91.7	154.9	0	0	0	0	0	115.8
190	L	29.2	Very low	33.7	Very low	125 Å²	125	73.3 Å²	73.3	65%	0.654	41%	0.411	S	S	*	.			trans	21.3	118.9	157.5	-64.8	164.3	0	0	0	124.9
191	L	33	Very low	33.9	Very low	128 Å²	128	81.3 Å²	81.3	67%	0.67	45%	0.448	S	S	*	.				169.7	171	115.6	-98.5	164.4	0	0	0	111.3	Q195	L191-Q195 VanDerWaalsContact O-CB 3.3Å; L191-Q195 WeakPolarHBondContact O-CB 3.34Å; L191-Q195 PolarHBondContact O-NE2 3.44Å; L191-Q195 PolarHBondContact O-OE1 3.14Å
192	P	40.8	Very low	33.9	Very low	91 Å²	91	85.1 Å²	85.1	59%	0.591	47%	0.474	S	S	*	.				-102.1	133.2	-122.1	37.2	-28.9	0	0	0	117.6	L194	P192-L194 PolarHBondContact O-N 2.88Å
193	V	40.1	Very low	33.8	Very low	126 Å²	126	92.6 Å²	92.6	76%	0.764	51%	0.513	S	S	*	.	S	Bend	trans	72.7	-14.2	140.2	-172	0	0	0	0	120
194	L	29.3	Very low	33.4	Very low	178 Å²	178	99.3 Å²	99.3	93%	0.932	55%	0.549	S	S	*	.	S	Bend	trans	-110.3	7.2	156.3	-68	167.3	0	0	0	112.1	P192	P192-L194 PolarHBondContact O-N 2.88Å
195	Q	38.6	Very low	33.1	Very low	72 Å²	72	105 Å²	105	34%	0.336	58%	0.576	S	S	.	*			trans	-90.6	-4.2	-172.8	-101.5	168.7	-95.8	0	0	116.3	L191 I197 I199	L191-Q195 VanDerWaalsContact O-CB 3.3Å; L191-Q195 WeakPolarHBondContact O-CB 3.34Å; L191-Q195 PolarHBondContact O-NE2 3.44Å; L191-Q195 PolarHBondContact O-OE1 3.14Å; Q195-I197 PolarHBondContact O-N 3.35Å; Q195-I199 HydrophobicContact CB-CD1 3.83Å; Q195-I199 HydrophobicContact CB-CG1 4.34Å; Q195-I199 HydrophobicContact CG-CD1 3.35Å; Q195-I199 HydrophobicContact CG-CG1 4.01Å; Q195-I199 PolarHBondContact O-N 2.92Å
196	Q	29.2	Very low	33	Very low	147 Å²	147	114.9 Å²	114.9	69%	0.687	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-21.1	-162.3	-150.3	144.6	0.1	0	0	115.4
197	I	33.7	Very low	32.8	Very low	137 Å²	137	120.7 Å²	120.7	70%	0.703	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	-36.8	-177.2	-60.5	169.4	0	0	0	111.2	Q195	Q195-I197 PolarHBondContact O-N 3.35Å
198	L	30.5	Very low	33.1	Very low	133 Å²	133	121 Å²	121	70%	0.696	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-27.2	-174	-140.7	76.6	0	0	0	113.2	C200 S202	L198-C200 VanDerWaalsContact C-N 3.35Å; L198-S202 PolarHBondContact O-OG 3.37Å
199	I	35.7	Very low	33.5	Very low	93 Å²	93	121.6 Å²	121.6	48%	0.477	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.4	-22	176.7	-68.4	-170.7	0	0	0	112.9	Q195 H201	Q195-I199 HydrophobicContact CB-CD1 3.83Å; Q195-I199 HydrophobicContact CB-CG1 4.34Å; Q195-I199 HydrophobicContact CG-CD1 3.35Å; Q195-I199 HydrophobicContact CG-CG1 4.01Å; Q195-I199 PolarHBondContact O-N 2.92Å; I199-H201 VanDerWaalsContact C-N 3.27Å; I199-H201 PolarHBondContact O-N 2.87Å
200	C	39.7	Very low	34.5	Very low	44 Å²	44	122.3 Å²	122.3	30%	0.297	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.3	-23.8	177	-171.3	0	0	0	0	112.9	Q186 L198	Q186-C200 PolarHBondContact NE2-SG 3.47Å; Q186-C200 PolarHBondContact OE1-SG 3.28Å; L198-C200 VanDerWaalsContact C-N 3.35Å
201	H	33.3	Very low	36	Very low	171 Å²	171	119 Å²	119	79%	0.792	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-28.2	-172.9	-103.9	69.1	0	0	0	115.1	I199	I199-H201 VanDerWaalsContact C-N 3.27Å; I199-H201 PolarHBondContact O-N 2.87Å
202	S	32.9	Very low	37.2	Very low	79 Å²	79	113.9 Å²	113.9	55%	0.552	62%	0.62	S	S	*	*	S	Bend	trans	-151.2	74.1	-166.3	63.3	0	0	0	0	114.2	L198	L198-S202 PolarHBondContact O-OG 3.37Å
203	L	29.1	Very low	38.3	Very low	169 Å²	169	110.6 Å²	110.6	89%	0.885	60%	0.597	S	S	*	*			trans	-160.5	119	136.5	-143.7	69.8	0	0	0	112.3
204	L	29.4	Very low	39.5	Very low	151 Å²	151	106.3 Å²	106.3	79%	0.791	57%	0.567	S	S	*	*			trans	-53.5	139.4	168.2	-89.2	123.4	0	0	0	113.2
205	M	27	Very low	41.5	Very low	133 Å²	133	97.9 Å²	97.9	66%	0.655	52%	0.523	S	S	*	.				65.7	93.5	122.9	-157.8	-179.2	73.5	0	0	117.3
206	Y	29.6	Very low	42.9	Very low	217 Å²	217	94.5 Å²	94.5	85%	0.851	51%	0.507	S	S	*	.				-171.6	134.9	125.2	-122.4	-100	0	0	0	109	A208	Y206-A208 PolarHBondContact O-N 3.09Å; Y206-A208 VanDerWaalsContact O-N 3.12Å
207	L	28.7	Very low	45.1	Very low	146 Å²	146	87.5 Å²	87.5	76%	0.764	48%	0.475	S	S	*	.			trans	-50.3	115.8	-176.2	-88.4	87.4	0	0	0	112.2	S209	L207-S209 VanDerWaalsContact C-N 3.31Å; L207-S209 PolarHBondContact O-N 2.85Å
208	A	35.3	Very low	47	Very low	80 Å²	80	81.9 Å²	81.9	66%	0.661	45%	0.447	S	S	*	.	S	Bend	trans	-76	82.8	165.3	0	0	0	0	0	109.3	Y206 S212	Y206-A208 PolarHBondContact O-N 3.09Å; Y206-A208 VanDerWaalsContact O-N 3.12Å; A208-S212 PolarHBondContact O-OG 3.45Å
209	S	45.1	Very low	49.2	Very low	74 Å²	74	75.7 Å²	75.7	52%	0.517	42%	0.415	S	S	.	.	S	Bend	trans	57.5	133.7	178.2	105.7	0	0	0	0	115.7	L207 N211 S212	L207-S209 VanDerWaalsContact C-N 3.31Å; L207-S209 PolarHBondContact O-N 2.85Å; S209-N211 PolarHBondContact O-N 3.08Å; S209-S212 PolarHBondContact O-N 3.13Å; S209-S212 PolarHBondContact O-OG 2.93Å; S209-S212 PolarHBondContact OG-OG 3.26Å
210	A	53.9	Low	51.2	Low	75 Å²	75	74.1 Å²	74.1	62%	0.62	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.1	-161.3	0	0	0	0	0	116.9
211	N	61.6	Low	53.1	Low	55 Å²	55	73.5 Å²	73.5	29%	0.294	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	5.3	-169.9	-76.6	-12.2	0	0	0	115.1	S110 L111 V113 T116 S209	S110-N211 CarbonylContact C-O 3Å; S110-N211 WeakPolarHBondContact CA-O 3.24Å; L111-N211 PolarHBondContact N-O 3.47Å; L111-N211 WeakPolarHBondContact O-CB 3.37Å; V113-N211 WeakPolarHBondContact CG2-ND2 3.48Å; T116-N211 PolarHBondContact OG1-OD1 2.87Å; S209-N211 PolarHBondContact O-N 3.08Å
212	S	58.4	Low	55.1	Low	21 Å²	21	71.6 Å²	71.6	15%	0.147	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131	-179	44.4	0	0	0	0	113.1	M108 A208 S209	M108-S212 WeakPolarHBondContact SD-CB 3.47Å; A208-S212 PolarHBondContact O-OG 3.45Å; S209-S212 PolarHBondContact O-N 3.13Å; S209-S212 PolarHBondContact O-OG 2.93Å; S209-S212 PolarHBondContact OG-OG 3.26Å
213	L	63.9	Low	57.2	Low	22 Å²	22	76.9 Å²	76.9	12%	0.115	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	132.7	-179.3	-156.7	92.6	0	0	0	110.5	N109 L111 I168 L170 W215	N109-L213 PolarHBondContact O-N 2.82Å; N109-L213 VanDerWaalsContact O-N 3.15Å; L111-L213 HydrophobicContact CD1-CB 4.27Å; L111-L213 HydrophobicContact CD1-CD2 4.42Å; I168-L213 HydrophobicContact CG2-CD1 4.43Å; L170-L213 HydrophobicContact CD1-CD1 4.17Å; L170-L213 HydrophobicContact CD1-CD2 3.59Å; L170-L213 HydrophobicContact CD1-CG 3.97Å; L213-W215 HydrophobicContact CD2-CD2 3.82Å; L213-W215 HydrophobicContact CD2-CE3 4.06Å; L213-W215 HydrophobicContact CD2-CH2 3.38Å; L213-W215 HydrophobicContact CD2-CZ2 3.09Å; L213-W215 HydrophobicContact CD2-CZ3 3.88Å
214	Y	64.1	Low	59.2	Low	35 Å²	35	70.9 Å²	70.9	14%	0.137	37%	0.373	C	S	.	.			trans	-100.1	133.1	169	-69.8	-82.3	0	0	0	109.2	A103 M108 S187 L188	A103-Y214 HydrophobicContact CB-CD1 3.79Å; A103-Y214 HydrophobicContact CB-CE1 4.06Å; M108-Y214 HydrophobicContact CG-CE1 4.48Å; M108-Y214 HydrophobicContact CG-CE2 4.26Å; M108-Y214 HydrophobicContact SD-CE2 4.14Å; S187-Y214 VanDerWaalsContact CA-O 3.28Å; S187-Y214 WeakPolarHBondContact CA-O 3.19Å; S187-Y214 WeakPolarHBondContact CB-O 3.35Å; L188-Y214 HydrophobicContact CB-CD1 3.74Å; L188-Y214 HydrophobicContact CB-CD2 3.71Å; L188-Y214 HydrophobicContact CB-CE1 4.27Å; L188-Y214 HydrophobicContact CB-CE2 4.24Å; L188-Y214 HydrophobicContact CB-CG 3.42Å; L188-Y214 VanDerWaalsContact CB-CG 3.42Å; L188-Y214 HydrophobicContact CD2-CD1 3.73Å; L188-Y214 HydrophobicContact CD2-CE1 3.59Å; L188-Y214 HydrophobicContact CD2-CG 4.29Å; L188-Y214 HydrophobicContact CG-CD1 4.38Å; L188-Y214 HydrophobicContact CG-CG 4.47Å; L188-Y214 VanDerWaalsContact N-CB 3.29Å; L188-Y214 VanDerWaalsContact O-CD2 3.23Å; L188-Y214 WeakPolarHBondContact O-CD2 3.4Å
215	W	71.4	Confident	61.5	Low	2 Å²	2	71.6 Å²	71.6	1%	0.008	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.4	170.6	-56.8	102.1	0	0	0	107.3	F60 C61 L101 M119 L170 E185 Q186 L213	F60-W215 HydrophobicContact CD1-CE3 4.3Å; F60-W215 AromaticContact CD1-CH2 3.26Å; F60-W215 HydrophobicContact CD1-CH2 3.26Å; F60-W215 AromaticContact CD1-CZ2 3.71Å; F60-W215 HydrophobicContact CD1-CZ2 3.71Å; F60-W215 AromaticContact CD1-CZ3 3.57Å; F60-W215 HydrophobicContact CD1-CZ3 3.57Å; F60-W215 AromaticContact CE1-CH2 3.49Å; F60-W215 HydrophobicContact CE1-CH2 3.49Å; F60-W215 VanDerWaalsContact CE1-CH2 3.49Å; F60-W215 HydrophobicContact CE1-CZ2 4.35Å; F60-W215 AromaticContact CE1-CZ3 3.71Å; F60-W215 HydrophobicContact CE1-CZ3 3.71Å; F60-W215 HydrophobicContact CG-CH2 4.37Å; F60-W215 HydrophobicContact CG-CZ2 4.49Å; C61-W215 HydrophobicContact CB-CB 4.41Å; C61-W215 HydrophobicContact CB-CG 4.14Å; L101-W215 HydrophobicContact CB-CB 3.85Å; L101-W215 PolarHBondContact N-O 3.27Å; M119-W215 HydrophobicContact CE-CH2 3.67Å; M119-W215 HydrophobicContact CE-CZ2 3.85Å; M119-W215 HydrophobicContact SD-CH2 4.43Å; L170-W215 HydrophobicContact CD1-CD2 4.39Å; L170-W215 HydrophobicContact CD1-CE3 3.58Å; L170-W215 HydrophobicContact CD1-CH2 4.16Å; L170-W215 HydrophobicContact CD1-CZ3 3.46Å; L170-W215 VanDerWaalsContact CD1-CZ3 3.46Å; L170-W215 HydrophobicContact CD2-CE3 4.3Å; L170-W215 HydrophobicContact CD2-CH2 4.07Å; L170-W215 HydrophobicContact CD2-CZ3 3.44Å; L170-W215 VanDerWaalsContact CD2-CZ3 3.44Å; L170-W215 HydrophobicContact CG-CZ3 4.09Å; E185-W215 HydrophobicContact CG-CE3 4.34Å; Q186-W215 CarbonylContact O-C 3.28Å; L213-W215 HydrophobicContact CD2-CD2 3.82Å; L213-W215 HydrophobicContact CD2-CE3 4.06Å; L213-W215 HydrophobicContact CD2-CH2 3.38Å; L213-W215 HydrophobicContact CD2-CZ2 3.09Å; L213-W215 HydrophobicContact CD2-CZ3 3.88Å
216	S	68.9	Low	63.8	Low	1 Å²	1	67.7 Å²	67.7	1%	0.007	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	172.9	173.4	96.2	0	0	0	0	109.1	H99 E185 Q186	H99-S216 CarbonylContact O-C 3.49Å; H99-S216 VanDerWaalsContact O-C 3.27Å; H99-S216 WeakPolarHBondContact O-CA 3.49Å; H99-S216 VanDerWaalsContact O-CB 3.25Å; H99-S216 WeakPolarHBondContact O-CB 3.36Å; E185-S216 CarbonylContact C-O 3.38Å; E185-S216 WeakPolarHBondContact CA-O 3.35Å; E185-S216 WeakPolarHBondContact CG-O 3.48Å; Q186-S216 VanDerWaalsContact C-OG 3.3Å; Q186-S216 WeakPolarHBondContact CA-OG 3.25Å; Q186-S216 WeakPolarHBondContact CB-OG 3.46Å; Q186-S216 WeakPolarHBondContact CG-OG 3.22Å; Q186-S216 PolarHBondContact N-O 3.08Å; Q186-S216 VanDerWaalsContact N-O 3.14Å; Q186-S216 PolarHBondContact N-OG 3.42Å; Q186-S216 WeakPolarHBondContact O-CA 3.21Å; Q186-S216 WeakPolarHBondContact O-CB 3.48Å; Q186-S216 PolarHBondContact O-N 2.87Å; Q186-S216 PolarHBondContact O-OG 3.23Å
217	Y	74.9	Confident	66	Low	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151.5	-179.5	92	-72.6	0	0	0	118.6	F88 V89 V90 E96 C98 H99 L101 F183 C184 V219	F88-Y217 AromaticContact CD1-CD1 3.41Å; F88-Y217 HydrophobicContact CD1-CD1 3.41Å; F88-Y217 VanDerWaalsContact CD1-CD1 3.41Å; F88-Y217 HydrophobicContact CD1-CD2 4.26Å; F88-Y217 AromaticContact CD1-CE1 3.9Å; F88-Y217 HydrophobicContact CD1-CE1 3.9Å; F88-Y217 AromaticContact CD1-CG 3.59Å; F88-Y217 HydrophobicContact CD1-CG 3.59Å; F88-Y217 AromaticContact CE1-CD1 3.83Å; F88-Y217 HydrophobicContact CE1-CD1 3.83Å; F88-Y217 AromaticContact CE1-CG 3.93Å; F88-Y217 HydrophobicContact CE1-CG 3.93Å; V89-Y217 PolarHBondContact N-OH 2.81Å; V89-Y217 VanDerWaalsContact N-OH 3.15Å; V89-Y217 PolarHBondContact O-OH 2.88Å; V90-Y217 HydrophobicContact CG2-CE2 4.09Å; E96-Y217 PolarHBondContact OE2-OH 3.33Å; C98-Y217 CarbonylContact C-O 3.35Å; C98-Y217 WeakPolarHBondContact CA-O 3.33Å; H99-Y217 HydrophobicContact CB-CD1 4.17Å; H99-Y217 HydrophobicContact CB-CE1 3.75Å; H99-Y217 HydrophobicContact CB-CE2 4.06Å; H99-Y217 AromaticContact CD2-CE1 3.28Å; H99-Y217 WeakPolarHBondContact CD2-CE1 3.31Å; H99-Y217 AromaticContact CD2-CZ 3.58Å; H99-Y217 PolarHBondContact CD2-OH 3.49Å; H99-Y217 AromaticContact CG-CE1 3.65Å; H99-Y217 AromaticContact CG-CZ 3.56Å; H99-Y217 PolarHBondContact N-O 3.26Å; H99-Y217 PolarHBondContact O-N 3.25Å; L101-Y217 HydrophobicContact CD1-CD1 3.57Å; L101-Y217 HydrophobicContact CD1-CE1 4.1Å; L101-Y217 HydrophobicContact CD2-CD1 4.06Å; L101-Y217 HydrophobicContact CD2-CE1 3.69Å; L101-Y217 HydrophobicContact CG-CD1 3.64Å; L101-Y217 HydrophobicContact CG-CE1 3.77Å; F183-Y217 HydrophobicContact CD1-CD2 4.05Å; F183-Y217 HydrophobicContact CE1-CD2 4.39Å; C184-Y217 CarbonylContact O-C 3.24Å; C184-Y217 WeakPolarHBondContact O-CA 3.47Å; Y217-V219 HydrophobicContact CD2-CG2 3.79Å; Y217-V219 HydrophobicContact CE2-CG2 3.78Å
218	S	73.9	Confident	68.2	Low	18 Å²	18	60.2 Å²	60.2	13%	0.126	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	168.7	146.7	85.4	0	0	0	0	108.2	E96 A97 D182 F183 C184	E96-S218 CarbonylContact O-C 3.04Å; E96-S218 WeakPolarHBondContact O-CA 3.5Å; E96-S218 WeakPolarHBondContact O-CB 3.41Å; A97-S218 WeakPolarHBondContact O-CB 3.19Å; D182-S218 CarbonylContact C-O 3.39Å; D182-S218 CarbonylContact O-C 3.4Å; D182-S218 PolarHBondContact O-OG 3.45Å; F183-S218 CarbonylContact C-O 3.56Å; F183-S218 WeakPolarHBondContact CA-O 3.36Å; C184-S218 VanDerWaalsContact CB-CB 3.43Å; C184-S218 WeakPolarHBondContact CB-OG 3.38Å; C184-S218 PolarHBondContact N-O 3.11Å; C184-S218 PolarHBondContact N-OG 2.86Å; C184-S218 PolarHBondContact O-N 3.41Å
219	V	75.9	Confident	70	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	124.2	171	173.9	0	0	0	0	107	V90 N95 E96 V181 D182 F183 Y217	V90-V219 HydrophobicContact CG1-CG1 4.3Å; V90-V219 HydrophobicContact CG1-CG2 4.32Å; V90-V219 HydrophobicContact CG2-CG2 3.66Å; N95-V219 CarbonylContact C-O 3.49Å; N95-V219 VanDerWaalsContact CA-O 3.25Å; N95-V219 WeakPolarHBondContact CA-O 3.36Å; E96-V219 HydrophobicContact CB-CB 4.3Å; E96-V219 PolarHBondContact N-O 3.47Å; E96-V219 PolarHBondContact O-N 3.44Å; V181-V219 HydrophobicContact CB-CG1 4.34Å; V181-V219 HydrophobicContact CG1-CB 4.32Å; V181-V219 HydrophobicContact CG1-CG1 3.43Å; V181-V219 VanDerWaalsContact CG1-CG1 3.43Å; V181-V219 HydrophobicContact CG1-CG2 4.09Å; D182-V219 WeakPolarHBondContact O-CA 3.46Å; D182-V219 PolarHBondContact O-N 3.46Å; F183-V219 HydrophobicContact CD1-CG2 4.49Å; F183-V219 HydrophobicContact CE1-CG2 4.44Å; Y217-V219 HydrophobicContact CD2-CG2 3.79Å; Y217-V219 HydrophobicContact CE2-CG2 3.78Å
220	L	79	Confident	71.5	Confident	61 Å²	61	59 Å²	59	32%	0.319	30%	0.304	S	S	.	.			trans	-123.1	123.6	169	-173.6	75.6	0	0	0	110.1	A180 V181 D182 R222	A180-L220 CarbonylContact C-O 3.59Å; A180-L220 WeakPolarHBondContact CB-O 3.43Å; A180-L220 VanDerWaalsContact O-O 3.12Å; V181-L220 WeakPolarHBondContact CA-O 3.38Å; V181-L220 PolarHBondContact N-O 3.04Å; D182-L220 HydrophobicContact CB-CB 3.64Å; D182-L220 PolarHBondContact N-O 2.72Å; D182-L220 PolarHBondContact O-N 3.43Å; D182-L220 WeakPolarHBondContact OD2-CB 3.34Å; D182-L220 WeakPolarHBondContact OD2-CD2 3.38Å; L220-R222 HydrophobicContact CD2-CG 4.41Å
221	W	78	Confident	72.6	Confident	31 Å²	31	56.9 Å²	56.9	12%	0.117	28%	0.279	C	S	.	.			trans	-92.5	133.7	173.3	-59.6	85.5	0	0	0	113.7	V37 V90 R91 M92 K93 E94 N95 T179 A180 V181	V37-W221 HydrophobicContact CG2-CH2 4.06Å; V37-W221 HydrophobicContact CG2-CZ2 4.4Å; V90-W221 HydrophobicContact CG1-CZ2 3.64Å; R91-W221 WeakPolarHBondContact O-CZ2 3.23Å; R91-W221 PolarHBondContact O-NE1 3.12Å; M92-W221 VanDerWaalsContact CA-CZ2 3.49Å; M92-W221 HydrophobicContact CE-CE3 4.03Å; M92-W221 HydrophobicContact CE-CH2 4.22Å; M92-W221 HydrophobicContact CE-CZ3 3.57Å; M92-W221 HydrophobicContact CG-CH2 4.44Å; M92-W221 HydrophobicContact SD-CE3 4.05Å; M92-W221 HydrophobicContact SD-CH2 3.22Å; M92-W221 WeakPolarHBondContact SD-CH2 3.25Å; M92-W221 HydrophobicContact SD-CZ2 4.06Å; M92-W221 HydrophobicContact SD-CZ3 3.22Å; M92-W221 WeakPolarHBondContact SD-CZ3 3.47Å; K93-W221 VanDerWaalsContact N-CE2 3.31Å; E94-W221 PolarHBondContact O-NE1 3.49Å; E94-W221 VanDerWaalsContact O-NE1 3.08Å; N95-W221 PolarHBondContact OD1-N 2.83Å; T179-W221 WeakPolarHBondContact O-CZ3 3.16Å; A180-W221 WeakPolarHBondContact O-CA 3.38Å; A180-W221 WeakPolarHBondContact O-CB 3.35Å; V181-W221 HydrophobicContact CB-CH2 4.38Å; V181-W221 HydrophobicContact CB-CZ2 4.29Å; V181-W221 HydrophobicContact CG1-CZ2 4.09Å; V181-W221 HydrophobicContact CG2-CD2 3.83Å; V181-W221 HydrophobicContact CG2-CE3 3.61Å; V181-W221 HydrophobicContact CG2-CH2 3.03Å; V181-W221 HydrophobicContact CG2-CZ2 3.28Å; V181-W221 HydrophobicContact CG2-CZ3 3.2Å
222	R	75	Confident	73.3	Confident	130 Å²	130	55.2 Å²	55.2	49%	0.491	27%	0.269	S	S	.	.			trans	-137.4	129.1	176.1	-51.5	-178.7	-171.5	-158.3	0.5	107.9	A180 D182 L220	A180-R222 HydrophobicContact CB-CB 3.51Å; A180-R222 HydrophobicContact CB-CG 3.69Å; A180-R222 PolarHBondContact N-O 3.4Å; D182-R222 IonicContact OD2-NE 3.69Å; D182-R222 IonicContact OD2-NH2 3.47Å; L220-R222 HydrophobicContact CD2-CG 4.41Å
223	E	77	Confident	74	Confident	191 Å²	191	57.7 Å²	57.7	89%	0.893	28%	0.281	S	S	*	.			trans	-66.3	146.8	174.2	-167.1	167.3	-172.8	0	0	110.2
224	S	72.8	Confident	74.4	Confident	42 Å²	42	61 Å²	61	29%	0.294	29%	0.294	S	S	.	.			trans	-131.4	144.5	176.2	85.9	0	0	0	0	110.5	I178 I226	I178-S224 VanDerWaalsContact CG2-OG 3.23Å; I178-S224 WeakPolarHBondContact CG2-OG 3.21Å; I178-S224 VanDerWaalsContact O-CB 3.3Å; I178-S224 WeakPolarHBondContact O-CB 3.33Å; I178-S224 PolarHBondContact O-OG 2.99Å; S224-I226 PolarHBondContact O-N 2.87Å
225	D	76.9	Confident	74.8	Confident	167 Å²	167	60.3 Å²	60.3	89%	0.893	29%	0.291	S	S	*	.			trans	-80.8	8.7	179.9	-53.3	-44.5	0	0	0	113
226	I	75.1	Confident	74.7	Confident	51 Å²	51	61 Å²	61	26%	0.262	30%	0.295	S	S	.	.			trans	-92	124.3	-170.2	-55.4	170.8	0	0	0	109.5	I178 S224 N230 K234	I178-I226 HydrophobicContact CG2-CB 3.97Å; I178-I226 HydrophobicContact CG2-CD1 3.82Å; I178-I226 HydrophobicContact CG2-CG1 4.39Å; I178-I226 HydrophobicContact CG2-CG2 4.44Å; S224-I226 PolarHBondContact O-N 2.87Å; I226-N230 HydrophobicContact CG2-CB 4.07Å; I226-K234 HydrophobicContact CD1-CD 4.14Å; I226-K234 HydrophobicContact CD1-CG 3.59Å
227	Q	76.5	Confident	74.3	Confident	137 Å²	137	63.5 Å²	63.5	64%	0.64	32%	0.316	S	S	*	.			trans	-57.7	144.5	173.9	-66.1	-63.8	-23.5	0	0	111.7	T229 N230 R231	Q227-T229 PolarHBondContact O-N 3.42Å; Q227-T229 VanDerWaalsContact O-N 3.11Å; Q227-N230 PolarHBondContact O-N 3.4Å; Q227-R231 PolarHBondContact O-N 3.15Å
228	W	74.7	Confident	73.3	Confident	68 Å²	68	67 Å²	67	26%	0.258	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-50.2	-41.9	-178.8	-176.5	106.5	0	0	0	112.7	P24 V26 P28 N230 R231	P24-W228 HydrophobicContact CB-CH2 4.11Å; P24-W228 HydrophobicContact CB-CZ3 3.74Å; P24-W228 HydrophobicContact CG-CZ3 3.87Å; V26-W228 VanDerWaalsContact O-CH2 3.27Å; V26-W228 WeakPolarHBondContact O-CH2 3.36Å; P28-W228 VanDerWaalsContact CA-CZ2 3.46Å; P28-W228 HydrophobicContact CB-CD2 3.8Å; P28-W228 HydrophobicContact CB-CE3 4.27Å; P28-W228 HydrophobicContact CB-CG 4.1Å; P28-W228 HydrophobicContact CB-CH2 4.48Å; P28-W228 HydrophobicContact CB-CZ2 4.02Å; W228-N230 PolarHBondContact O-N 3.22Å; W228-R231 WeakPolarHBondContact O-CG 3.41Å; W228-R231 PolarHBondContact O-N 3.09Å
229	T	73.4	Confident	72.3	Confident	61 Å²	61	71.1 Å²	71.1	37%	0.374	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-62.5	-27.9	-179.3	54.6	0	0	0	0	113.3	Q227	Q227-T229 PolarHBondContact O-N 3.42Å; Q227-T229 VanDerWaalsContact O-N 3.11Å
230	N	76.4	Confident	71.6	Confident	68 Å²	68	74.8 Å²	74.8	36%	0.364	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-104.6	9.2	-172.5	-61.6	7.5	0	0	0	112	I226 Q227 W228 W232 D233	I226-N230 HydrophobicContact CG2-CB 4.07Å; Q227-N230 PolarHBondContact O-N 3.4Å; W228-N230 PolarHBondContact O-N 3.22Å; N230-W232 PolarHBondContact O-N 3.35Å; N230-D233 WeakPolarHBondContact CB-OD2 3.17Å; N230-D233 VanDerWaalsContact O-CB 3.29Å; N230-D233 WeakPolarHBondContact O-CB 3.5Å; N230-D233 PolarHBondContact O-N 3.35Å
231	R	76.1	Confident	70.8	Confident	30 Å²	30	76.1 Å²	76.1	11%	0.113	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.5	-179.1	-71.1	-164.1	-124.5	154	-34.2	113.2	D134 L136 I178 Q227 W228 D233	D134-R231 IonicContact OD2-CZ 2.73Å; D134-R231 IonicContact OD2-NH1 3.84Å; D134-R231 PolarHBondContact OD2-NH1 2.85Å; D134-R231 IonicContact OD2-NH2 3.95Å; D134-R231 PolarHBondContact OD2-NH2 3.43Å; L136-R231 HydrophobicContact CD1-CB 4.4Å; I178-R231 HydrophobicContact CB-CG 4.44Å; I178-R231 WeakPolarHBondContact CD1-O 3.37Å; I178-R231 HydrophobicContact CG2-CG 4.06Å; Q227-R231 PolarHBondContact O-N 3.15Å; W228-R231 WeakPolarHBondContact O-CG 3.41Å; W228-R231 PolarHBondContact O-N 3.09Å; R231-D233 VanDerWaalsContact C-N 3.27Å; R231-D233 PolarHBondContact O-N 3.07Å
232	W	76.8	Confident	70.3	Confident	20 Å²	20	81.9 Å²	81.9	8%	0.076	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-26.7	176.1	-84.1	97.3	0	0	0	112.6	L136 P137 N230 K234 Y235 L236 P337 S338 F495	L136-W232 HydrophobicContact CD2-CD2 4.16Å; L136-W232 HydrophobicContact CD2-CG 4.42Å; L136-W232 HydrophobicContact CD2-CZ2 3.98Å; P137-W232 VanDerWaalsContact CD-CH2 3.46Å; P137-W232 HydrophobicContact CG-CH2 3.81Å; P137-W232 HydrophobicContact CG-CZ3 4.09Å; N230-W232 PolarHBondContact O-N 3.35Å; W232-K234 PolarHBondContact O-N 3.03Å; W232-Y235 HydrophobicContact CE3-CD2 4.37Å; W232-Y235 WeakPolarHBondContact O-CB 3.39Å; W232-Y235 PolarHBondContact O-N 2.91Å; W232-L236 HydrophobicContact CB-CD1 3.73Å; W232-L236 HydrophobicContact CB-CG 4.47Å; W232-L236 WeakPolarHBondContact O-CD1 3.17Å; W232-L236 WeakPolarHBondContact O-CG 3.36Å; W232-L236 PolarHBondContact O-N 3.4Å; W232-L236 VanDerWaalsContact O-N 3.07Å; W232-P337 HydrophobicContact CH2-CB 4.43Å; W232-P337 HydrophobicContact CZ3-CB 4.14Å; W232-S338 VanDerWaalsContact NE1-CB 3.34Å; W232-S338 PolarHBondContact NE1-OG 3.49Å; W232-F495 HydrophobicContact CZ3-CE1 4.01Å; W232-F495 HydrophobicContact CZ3-CZ 4.16Å
233	D	73.7	Confident	70.1	Confident	73 Å²	73	78.3 Å²	78.3	39%	0.39	40%	0.399	S	S	.	.	H	α-helix	trans	-60	-28	-173.7	-65.9	-14.5	0	0	0	112.7	N230 R231 L236 A237	N230-D233 WeakPolarHBondContact CB-OD2 3.17Å; N230-D233 VanDerWaalsContact O-CB 3.29Å; N230-D233 WeakPolarHBondContact O-CB 3.5Å; N230-D233 PolarHBondContact O-N 3.35Å; R231-D233 VanDerWaalsContact C-N 3.27Å; R231-D233 PolarHBondContact O-N 3.07Å; D233-L236 CarbonylContact O-C 2.86Å; D233-L236 PolarHBondContact O-N 2.9Å; D233-A237 WeakPolarHBondContact O-CA 3.21Å; D233-A237 WeakPolarHBondContact O-CB 3.21Å; D233-A237 PolarHBondContact O-N 3.3Å
234	K	72	Confident	69.6	Low	93 Å²	93	69.8 Å²	69.8	40%	0.404	36%	0.359	S	S	.	.	H	α-helix	trans	-71.5	-33.9	174.9	-73.7	-67.6	-171.8	-177.9	0	113.9	F152 I178 I226 W232 L236	F152-K234 HydrophobicContact CE2-CB 4.42Å; I178-K234 HydrophobicContact CD1-CB 3.58Å; I178-K234 HydrophobicContact CD1-CG 3.76Å; I226-K234 HydrophobicContact CD1-CD 4.14Å; I226-K234 HydrophobicContact CD1-CG 3.59Å; W232-K234 PolarHBondContact O-N 3.03Å; K234-L236 VanDerWaalsContact C-N 3.28Å
235	Y	71.7	Confident	69.6	Low	19 Å²	19	75.9 Å²	75.9	8%	0.075	38%	0.376	C	S	.	.	H	α-helix	trans	-73.1	-29.1	172.7	-65	-85.3	0	0	0	111.4	L136 P137 A139 I178 W232 F495	L136-Y235 HydrophobicContact CD2-CE2 4.09Å; P137-Y235 HydrophobicContact CG-CD1 4.47Å; P137-Y235 HydrophobicContact CG-CE1 4.27Å; P137-Y235 VanDerWaalsContact O-CE1 3.23Å; P137-Y235 WeakPolarHBondContact O-CE1 3.24Å; P137-Y235 PolarHBondContact O-OH 3.49Å; A139-Y235 HydrophobicContact CB-CD1 4.23Å; A139-Y235 HydrophobicContact CB-CE1 3.67Å; I178-Y235 HydrophobicContact CD1-CE2 4.26Å; W232-Y235 HydrophobicContact CE3-CD2 4.37Å; W232-Y235 WeakPolarHBondContact O-CB 3.39Å; W232-Y235 PolarHBondContact O-N 2.91Å; Y235-F495 HydrophobicContact CD1-CE2 4.39Å
236	L	69.5	Low	69.7	Low	16 Å²	16	72.7 Å²	72.7	8%	0.084	36%	0.359	C	S	.	.	H	α-helix	trans	-96.5	-9.9	-174.1	-55.1	166.2	0	0	0	112.7	W232 D233 K234 M238 P337 F495 Y497	W232-L236 HydrophobicContact CB-CD1 3.73Å; W232-L236 HydrophobicContact CB-CG 4.47Å; W232-L236 WeakPolarHBondContact O-CD1 3.17Å; W232-L236 WeakPolarHBondContact O-CG 3.36Å; W232-L236 PolarHBondContact O-N 3.4Å; W232-L236 VanDerWaalsContact O-N 3.07Å; D233-L236 CarbonylContact O-C 2.86Å; D233-L236 PolarHBondContact O-N 2.9Å; K234-L236 VanDerWaalsContact C-N 3.28Å; L236-M238 VanDerWaalsContact C-N 3.27Å; L236-M238 PolarHBondContact O-N 2.96Å; L236-P337 HydrophobicContact CD2-CG 4.44Å; L236-F495 HydrophobicContact CD2-CB 4.03Å; L236-F495 HydrophobicContact CD2-CG 4.46Å; L236-Y497 HydrophobicContact CB-CD1 4Å; L236-Y497 HydrophobicContact CB-CE1 4.44Å; L236-Y497 HydrophobicContact CB-CG 4.03Å; L236-Y497 HydrophobicContact CD1-CD1 4.06Å; L236-Y497 HydrophobicContact CD1-CD2 3.42Å; L236-Y497 VanDerWaalsContact CD1-CD2 3.42Å; L236-Y497 HydrophobicContact CD1-CE1 3.99Å; L236-Y497 HydrophobicContact CD1-CE2 3.37Å; L236-Y497 HydrophobicContact CD1-CG 3.78Å; L236-Y497 HydrophobicContact CD2-CD2 3.74Å; L236-Y497 HydrophobicContact CD2-CG 3.79Å; L236-Y497 HydrophobicContact CG-CD1 4.44Å; L236-Y497 HydrophobicContact CG-CD2 4.06Å; L236-Y497 HydrophobicContact CG-CE2 4.46Å; L236-Y497 HydrophobicContact CG-CG 4.06Å
237	A	60.8	Low	69.6	Low	54 Å²	54	70.3 Å²	70.3	45%	0.446	35%	0.346	S	S	.	.			trans	-63.2	87.8	175.8	0	0	0	0	0	109.4	D233	D233-A237 WeakPolarHBondContact O-CA 3.21Å; D233-A237 WeakPolarHBondContact O-CB 3.21Å; D233-A237 PolarHBondContact O-N 3.3Å
238	M	53.7	Low	69.5	Low	75 Å²	75	65.5 Å²	65.5	37%	0.369	32%	0.324	S	S	.	.			trans	-81.1	115.9	170	-73.4	-164.3	-179.8	0	0	108.7	L236 N240 F495	L236-M238 VanDerWaalsContact C-N 3.27Å; L236-M238 PolarHBondContact O-N 2.96Å; M238-N240 PolarHBondContact O-N 2.91Å; M238-N240 VanDerWaalsContact O-N 3.13Å; M238-F495 WeakPolarHBondContact CE-O 3.46Å
239	H	53.9	Low	69.8	Low	103 Å²	103	66.1 Å²	66.1	48%	0.477	34%	0.336	S	S	.	.	S	Bend	trans	-66.1	-12.1	-178.6	-68.5	-65.4	0	0	0	114.2	Y150	Y150-H239 PolarHBondContact O-NE2 3.28Å; Y150-H239 VanDerWaalsContact O-NE2 3.09Å
240	N	60	Low	70.2	Confident	80 Å²	80	65.7 Å²	65.7	43%	0.428	33%	0.331	S	S	.	.			trans	-112.7	59.4	-174.6	-143.9	-17.9	0	0	0	113.6	M238 Q242 I243	M238-N240 PolarHBondContact O-N 2.91Å; M238-N240 VanDerWaalsContact O-N 3.13Å; N240-Q242 PolarHBondContact O-N 3.17Å; N240-Q242 VanDerWaalsContact O-N 3.08Å; N240-I243 HydrophobicContact CB-CD1 3.95Å; N240-I243 HydrophobicContact CB-CG1 4.2Å; N240-I243 WeakPolarHBondContact ND2-CD1 3.33Å; N240-I243 PolarHBondContact O-N 3.43Å; N240-I243 VanDerWaalsContact O-N 3.14Å
241	T	63.2	Low	70.3	Confident	90 Å²	90	62.5 Å²	62.5	55%	0.552	31%	0.314	S	S	*	.	H	α-helix	trans	-54.1	-24	173.9	53.3	0	0	0	0	113.3	I243 H244 W245	T241-I243 VanDerWaalsContact C-N 3.3Å; T241-I243 PolarHBondContact O-N 3.31Å; T241-H244 PolarHBondContact O-N 3.47Å; T241-W245 PolarHBondContact O-N 3.45Å
242	Q	67.8	Low	70.5	Confident	152 Å²	152	64 Å²	64	71%	0.71	33%	0.326	S	S	*	.	H	α-helix	trans	-60.1	-37.2	177.4	-61.2	-177.5	-4.7	0	0	112.6	N240 H244 W245 L246	N240-Q242 PolarHBondContact O-N 3.17Å; N240-Q242 VanDerWaalsContact O-N 3.08Å; Q242-H244 PolarHBondContact O-N 3.14Å; Q242-W245 PolarHBondContact O-N 3.22Å; Q242-L246 WeakPolarHBondContact O-CB 3.49Å; Q242-L246 PolarHBondContact O-N 2.86Å
243	I	69.6	Low	70.9	Confident	55 Å²	55	67.1 Å²	67.1	28%	0.282	35%	0.348	S	S	.	.	H	α-helix	trans	-69.7	-36.1	-177.4	-53.7	175.4	0	0	0	110.8	N240 T241 L246 S247 F485	N240-I243 HydrophobicContact CB-CD1 3.95Å; N240-I243 HydrophobicContact CB-CG1 4.2Å; N240-I243 WeakPolarHBondContact ND2-CD1 3.33Å; N240-I243 PolarHBondContact O-N 3.43Å; N240-I243 VanDerWaalsContact O-N 3.14Å; T241-I243 VanDerWaalsContact C-N 3.3Å; T241-I243 PolarHBondContact O-N 3.31Å; I243-L246 WeakPolarHBondContact O-CB 3.4Å; I243-L246 PolarHBondContact O-N 3.09Å; I243-S247 PolarHBondContact O-N 3.35Å; I243-F485 HydrophobicContact CB-CZ 3.84Å; I243-F485 HydrophobicContact CG2-CE1 4.35Å; I243-F485 HydrophobicContact CG2-CE2 3.83Å; I243-F485 HydrophobicContact CG2-CZ 3.34Å
244	H	67.7	Low	71.1	Confident	12 Å²	12	64.2 Å²	64.2	6%	0.056	33%	0.333	C	S	.	.	H	α-helix	trans	-71.1	-40.2	176.9	-65.8	-64	0	0	0	112.1	T241 Q242 L246 S247 I248 F485 L498	T241-H244 PolarHBondContact O-N 3.47Å; Q242-H244 PolarHBondContact O-N 3.14Å; H244-L246 VanDerWaalsContact C-N 3.29Å; H244-L246 PolarHBondContact O-N 3.14Å; H244-S247 WeakPolarHBondContact O-CA 3.26Å; H244-S247 WeakPolarHBondContact O-CB 3.45Å; H244-S247 PolarHBondContact O-N 3.36Å; H244-S247 VanDerWaalsContact O-N 3.07Å; H244-I248 WeakPolarHBondContact O-CG1 3.29Å; H244-I248 PolarHBondContact O-N 3.03Å; H244-I248 VanDerWaalsContact O-N 3.11Å; H244-F485 AromaticContact CE1-CD1 3.81Å; H244-F485 AromaticContact CE1-CD2 3.66Å; H244-F485 AromaticContact CE1-CE1 3.49Å; H244-F485 VanDerWaalsContact CE1-CE1 3.49Å; H244-F485 WeakPolarHBondContact CE1-CE1 3.34Å; H244-F485 AromaticContact CE1-CE2 3.34Å; H244-F485 WeakPolarHBondContact CE1-CE2 3.19Å; H244-F485 AromaticContact CE1-CG 3.89Å; H244-F485 AromaticContact CE1-CZ 3.21Å; H244-F485 WeakPolarHBondContact CE1-CZ 3.44Å; H244-F485 AromaticContact ND1-CD2 3.89Å; H244-F485 AromaticContact ND1-CE2 3.38Å; H244-F485 WeakPolarHBondContact ND1-CE2 3.49Å; H244-F485 AromaticContact ND1-CZ 3.59Å; H244-F485 AromaticContact NE2-CE1 3.81Å; H244-F485 AromaticContact NE2-CZ 3.7Å; H244-L498 HydrophobicContact CB-CD1 4.13Å; H244-L498 WeakPolarHBondContact CD2-CD1 3.35Å; H244-L498 WeakPolarHBondContact NE2-CD1 3.49Å
245	W	72.6	Confident	71.5	Confident	169 Å²	169	61.4 Å²	61.4	64%	0.64	32%	0.323	S	S	*	.	H	α-helix	trans	-61.1	-39.7	172	-85.3	106.5	0	0	0	112	T241 Q242 S247 I248 V249	T241-W245 PolarHBondContact O-N 3.45Å; Q242-W245 PolarHBondContact O-N 3.22Å; W245-S247 VanDerWaalsContact C-N 3.29Å; W245-S247 PolarHBondContact O-N 2.87Å; W245-I248 HydrophobicContact CD2-CD1 4.27Å; W245-I248 HydrophobicContact CE3-CD1 3.88Å; W245-I248 HydrophobicContact CZ3-CD1 4.18Å; W245-I248 PolarHBondContact O-N 3.38Å; W245-V249 WeakPolarHBondContact O-CG2 2.89Å; W245-V249 PolarHBondContact O-N 3.4Å
246	L	78.9	Confident	72.2	Confident	101 Å²	101	66.1 Å²	66.1	53%	0.529	35%	0.349	S	S	.	.	H	α-helix	trans	-60.5	-38.5	172.5	-174.8	65.9	0	0	0	112	Q242 I243 H244 I248 V249 N250 L481	Q242-L246 WeakPolarHBondContact O-CB 3.49Å; Q242-L246 PolarHBondContact O-N 2.86Å; I243-L246 WeakPolarHBondContact O-CB 3.4Å; I243-L246 PolarHBondContact O-N 3.09Å; H244-L246 VanDerWaalsContact C-N 3.29Å; H244-L246 PolarHBondContact O-N 3.14Å; L246-I248 PolarHBondContact O-N 3.4Å; L246-V249 PolarHBondContact O-N 3.45Å; L246-N250 VanDerWaalsContact O-CB 3.23Å; L246-N250 WeakPolarHBondContact O-CB 3.35Å; L246-N250 PolarHBondContact O-N 3.22Å; L246-L481 HydrophobicContact CD2-CD1 4.43Å; L246-L481 HydrophobicContact CG-CD1 4.08Å
247	S	72.8	Confident	72.9	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-56.3	-47.6	173.6	-168.6	0	0	0	0	111.9	I243 H244 W245 S251 L481 E482	I243-S247 PolarHBondContact O-N 3.35Å; H244-S247 WeakPolarHBondContact O-CA 3.26Å; H244-S247 WeakPolarHBondContact O-CB 3.45Å; H244-S247 PolarHBondContact O-N 3.36Å; H244-S247 VanDerWaalsContact O-N 3.07Å; W245-S247 VanDerWaalsContact C-N 3.29Å; W245-S247 PolarHBondContact O-N 2.87Å; S247-S251 VanDerWaalsContact O-CB 3.28Å; S247-S251 WeakPolarHBondContact O-CB 3.38Å; S247-S251 PolarHBondContact O-N 2.85Å; S247-S251 PolarHBondContact O-OG 3.08Å; S247-L481 VanDerWaalsContact CA-CD1 3.49Å; S247-E482 WeakPolarHBondContact CB-OE1 3.45Å; S247-E482 PolarHBondContact OG-OE1 3.2Å
248	I	73.5	Confident	73.8	Confident	36 Å²	36	69.4 Å²	69.4	19%	0.185	35%	0.353	C	S	.	.	H	α-helix	trans	-66.5	-46.1	179.7	-57.8	161.2	0	0	0	111.1	H244 W245 L246 S251 T252 F501	H244-I248 WeakPolarHBondContact O-CG1 3.29Å; H244-I248 PolarHBondContact O-N 3.03Å; H244-I248 VanDerWaalsContact O-N 3.11Å; W245-I248 HydrophobicContact CD2-CD1 4.27Å; W245-I248 HydrophobicContact CE3-CD1 3.88Å; W245-I248 HydrophobicContact CZ3-CD1 4.18Å; W245-I248 PolarHBondContact O-N 3.38Å; L246-I248 PolarHBondContact O-N 3.4Å; I248-S251 PolarHBondContact O-N 2.81Å; I248-T252 VanDerWaalsContact O-CB 3.3Å; I248-T252 WeakPolarHBondContact O-CB 3.29Å; I248-T252 PolarHBondContact O-N 2.96Å; I248-T252 PolarHBondContact O-OG1 2.61Å; I248-F501 HydrophobicContact CD1-CD1 3.6Å; I248-F501 HydrophobicContact CD1-CE1 3.28Å; I248-F501 HydrophobicContact CD1-CZ 4.4Å; I248-F501 HydrophobicContact CG1-CD1 3.87Å; I248-F501 HydrophobicContact CG1-CE1 4.1Å
249	V	82.2	Confident	75.2	Confident	82 Å²	82	68 Å²	68	50%	0.497	35%	0.354	S	S	.	.	H	α-helix	trans	-61.2	-49.8	-179.2	172.3	0	0	0	0	109.7	W245 L246 S251 T252 V253	W245-V249 WeakPolarHBondContact O-CG2 2.89Å; W245-V249 PolarHBondContact O-N 3.4Å; L246-V249 PolarHBondContact O-N 3.45Å; V249-S251 PolarHBondContact O-N 2.95Å; V249-T252 PolarHBondContact O-N 3.32Å; V249-V253 HydrophobicContact CG1-CG2 4.33Å; V249-V253 WeakPolarHBondContact O-CB 3.47Å; V249-V253 VanDerWaalsContact O-CG2 3.23Å; V249-V253 WeakPolarHBondContact O-CG2 3.44Å; V249-V253 PolarHBondContact O-N 3.14Å
250	N	80.4	Confident	76.8	Confident	51 Å²	51	65.3 Å²	65.3	27%	0.273	35%	0.354	S	S	.	.	H	α-helix	trans	-58.8	-45.6	177.3	177.3	59.5	0	0	0	112.2	L246 T252 T254 L477 L481	L246-N250 VanDerWaalsContact O-CB 3.23Å; L246-N250 WeakPolarHBondContact O-CB 3.35Å; L246-N250 PolarHBondContact O-N 3.22Å; N250-T252 PolarHBondContact O-N 3.27Å; N250-T254 WeakPolarHBondContact O-CB 3.37Å; N250-T254 PolarHBondContact O-N 3.45Å; N250-T254 PolarHBondContact O-OG1 3.46Å; N250-L477 PolarHBondContact ND2-O 2.78Å; N250-L481 HydrophobicContact CB-CD1 4.11Å
251	S	80	Confident	77.8	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.007	35%	0.35	C	S	.	.	H	α-helix	trans	-63.6	-42.6	178.9	-56.5	0	0	0	0	111.8	S247 I248 V249 T254 V255 A478	S247-S251 VanDerWaalsContact O-CB 3.28Å; S247-S251 WeakPolarHBondContact O-CB 3.38Å; S247-S251 PolarHBondContact O-N 2.85Å; S247-S251 PolarHBondContact O-OG 3.08Å; I248-S251 PolarHBondContact O-N 2.81Å; V249-S251 PolarHBondContact O-N 2.95Å; S251-T254 PolarHBondContact O-N 3.35Å; S251-V255 WeakPolarHBondContact O-CG2 3.48Å; S251-V255 PolarHBondContact O-N 3.33Å; S251-V255 VanDerWaalsContact O-N 3.09Å; S251-A478 PolarHBondContact OG-O 3.21Å
252	T	79.8	Confident	78.6	Confident	61 Å²	61	61.3 Å²	61.3	37%	0.374	33%	0.331	S	S	.	.	H	α-helix	trans	-67.3	-45.6	179.7	-55.5	0	0	0	0	111.4	I248 V249 N250 T254 V255 L256	I248-T252 VanDerWaalsContact O-CB 3.3Å; I248-T252 WeakPolarHBondContact O-CB 3.29Å; I248-T252 PolarHBondContact O-N 2.96Å; I248-T252 PolarHBondContact O-OG1 2.61Å; V249-T252 PolarHBondContact O-N 3.32Å; N250-T252 PolarHBondContact O-N 3.27Å; T252-T254 VanDerWaalsContact C-N 3.27Å; T252-T254 PolarHBondContact O-N 3.29Å; T252-V255 PolarHBondContact O-N 3.07Å; T252-L256 HydrophobicContact CG2-CD1 4.23Å; T252-L256 HydrophobicContact CG2-CG 4.5Å; T252-L256 WeakPolarHBondContact O-CG 3.4Å; T252-L256 PolarHBondContact O-N 2.98Å
253	V	85	Confident	79.4	Confident	86 Å²	86	55.5 Å²	55.5	52%	0.521	31%	0.312	S	S	.	.	H	α-helix	trans	-58.1	-42.4	175.4	169.7	0	0	0	0	110.6	V249 V255 L256 F257	V249-V253 HydrophobicContact CG1-CG2 4.33Å; V249-V253 WeakPolarHBondContact O-CB 3.47Å; V249-V253 VanDerWaalsContact O-CG2 3.23Å; V249-V253 WeakPolarHBondContact O-CG2 3.44Å; V249-V253 PolarHBondContact O-N 3.14Å; V253-V255 PolarHBondContact O-N 3.47Å; V253-L256 PolarHBondContact O-N 3.02Å; V253-F257 WeakPolarHBondContact O-CB 3.24Å; V253-F257 PolarHBondContact O-N 3.09Å
254	T	78.6	Confident	80.2	Confident	13 Å²	13	56 Å²	56	8%	0.08	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-40.9	178.4	-56	0	0	0	0	112.2	N250 S251 T252 L258 V474 A478	N250-T254 WeakPolarHBondContact O-CB 3.37Å; N250-T254 PolarHBondContact O-N 3.45Å; N250-T254 PolarHBondContact O-OG1 3.46Å; S251-T254 PolarHBondContact O-N 3.35Å; T252-T254 VanDerWaalsContact C-N 3.27Å; T252-T254 PolarHBondContact O-N 3.29Å; T254-L258 WeakPolarHBondContact O-CG 3.33Å; T254-L258 PolarHBondContact O-N 2.99Å; T254-V474 HydrophobicContact CG2-CG1 3.51Å; T254-V474 WeakPolarHBondContact CG2-O 3.21Å; T254-A478 HydrophobicContact CG2-CB 3.85Å
255	V	79.6	Confident	80.7	Confident	33 Å²	33	56.3 Å²	56.3	20%	0.2	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-45.4	175.6	173.6	0	0	0	0	111.9	S251 T252 V253 F257 L258 A259 I508 V511	S251-V255 WeakPolarHBondContact O-CG2 3.48Å; S251-V255 PolarHBondContact O-N 3.33Å; S251-V255 VanDerWaalsContact O-N 3.09Å; T252-V255 PolarHBondContact O-N 3.07Å; V253-V255 PolarHBondContact O-N 3.47Å; V255-F257 VanDerWaalsContact C-N 3.28Å; V255-F257 PolarHBondContact O-N 2.89Å; V255-L258 PolarHBondContact O-N 3.31Å; V255-A259 VanDerWaalsContact O-CB 3.25Å; V255-A259 WeakPolarHBondContact O-CB 3.39Å; V255-A259 PolarHBondContact O-N 3.08Å; V255-I508 HydrophobicContact CG2-CB 4.01Å; V255-I508 HydrophobicContact CG2-CD1 4.43Å; V255-I508 HydrophobicContact CG2-CG1 3.91Å; V255-I508 HydrophobicContact CG2-CG2 3.34Å; V255-V511 HydrophobicContact CG1-CG1 4.5Å
256	L	86.5	Confident	81	Confident	119 Å²	119	52.2 Å²	52.2	62%	0.623	32%	0.316	S	S	*	.	H	α-helix	trans	-61.1	-40.4	178.2	-70.8	175.3	0	0	0	111.1	T252 V253 G260	T252-L256 HydrophobicContact CG2-CD1 4.23Å; T252-L256 HydrophobicContact CG2-CG 4.5Å; T252-L256 WeakPolarHBondContact O-CG 3.4Å; T252-L256 PolarHBondContact O-N 2.98Å; V253-L256 PolarHBondContact O-N 3.02Å; L256-G260 PolarHBondContact O-N 2.97Å
257	F	83.7	Confident	81.3	Confident	124 Å²	124	50.7 Å²	50.7	54%	0.544	31%	0.311	S	S	.	.	H	α-helix	trans	-60.7	-51.1	173.7	176.6	-103.6	0	0	0	111.9	V253 V255 A259 G260 V261 V474	V253-F257 WeakPolarHBondContact O-CB 3.24Å; V253-F257 PolarHBondContact O-N 3.09Å; V255-F257 VanDerWaalsContact C-N 3.28Å; V255-F257 PolarHBondContact O-N 2.89Å; F257-A259 PolarHBondContact O-N 3.41Å; F257-G260 PolarHBondContact O-N 3.35Å; F257-V261 HydrophobicContact CE1-CG2 4.19Å; F257-V261 HydrophobicContact CE2-CG2 4.17Å; F257-V261 HydrophobicContact CZ-CG2 3.97Å; F257-V261 WeakPolarHBondContact O-CG2 3.15Å; F257-V261 PolarHBondContact O-N 2.91Å; F257-V474 HydrophobicContact CD1-CG1 4.34Å
258	L	81.3	Confident	81.7	Confident	14 Å²	14	60 Å²	60	7%	0.073	35%	0.346	C	S	.	.	H	α-helix	trans	-63.8	-40.3	179	-75.2	177.3	0	0	0	113	T254 V255 G260 V261 L262 V474 L515 V516	T254-L258 WeakPolarHBondContact O-CG 3.33Å; T254-L258 PolarHBondContact O-N 2.99Å; V255-L258 PolarHBondContact O-N 3.31Å; L258-G260 VanDerWaalsContact C-N 3.34Å; L258-V261 PolarHBondContact O-N 3.21Å; L258-L262 PolarHBondContact O-N 2.99Å; L258-V474 HydrophobicContact CD1-CB 4.47Å; L258-V474 HydrophobicContact CD1-CG1 3.75Å; L258-V474 HydrophobicContact CD2-CB 4.05Å; L258-V474 HydrophobicContact CD2-CG1 3.56Å; L258-V474 HydrophobicContact CG-CB 4.49Å; L258-V474 HydrophobicContact CG-CG1 3.58Å; L258-L515 HydrophobicContact CB-CD1 3.75Å; L258-V516 HydrophobicContact CD1-CG2 4.21Å; L258-V516 HydrophobicContact CD2-CG2 3.71Å
259	A	83.1	Confident	81.8	Confident	47 Å²	47	59.2 Å²	59.2	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-65.1	-39.6	175.9	0	0	0	0	0	111.1	V255 F257 L262 G263	V255-A259 VanDerWaalsContact O-CB 3.25Å; V255-A259 WeakPolarHBondContact O-CB 3.39Å; V255-A259 PolarHBondContact O-N 3.08Å; F257-A259 PolarHBondContact O-N 3.41Å; A259-L262 PolarHBondContact O-N 3.21Å; A259-G263 PolarHBondContact O-N 2.91Å
260	G	86.9	Confident	81.5	Confident	46 Å²	46	58.8 Å²	58.8	47%	0.474	34%	0.339	S	S	.	.	H	α-helix	trans	-62.5	-45.3	173.4	0	0	0	0	0	112.7	L256 F257 L258 G263 A264	L256-G260 PolarHBondContact O-N 2.97Å; F257-G260 PolarHBondContact O-N 3.35Å; L258-G260 VanDerWaalsContact C-N 3.34Å; G260-G263 PolarHBondContact O-N 3.26Å; G260-A264 WeakPolarHBondContact O-CB 3.39Å; G260-A264 PolarHBondContact O-N 3.12Å
261	V	81.5	Confident	81.7	Confident	56 Å²	56	65 Å²	65	34%	0.339	36%	0.358	S	S	.	.	H	α-helix	trans	-62.8	-46.7	175.8	172.5	0	0	0	0	111.2	F257 L258 G263 A264 I265	F257-V261 HydrophobicContact CE1-CG2 4.19Å; F257-V261 HydrophobicContact CE2-CG2 4.17Å; F257-V261 HydrophobicContact CZ-CG2 3.97Å; F257-V261 WeakPolarHBondContact O-CG2 3.15Å; F257-V261 PolarHBondContact O-N 2.91Å; L258-V261 PolarHBondContact O-N 3.21Å; V261-G263 VanDerWaalsContact C-N 3.33Å; V261-G263 PolarHBondContact O-N 3.32Å; V261-A264 PolarHBondContact O-N 2.81Å; V261-I265 HydrophobicContact CG1-CD1 3.97Å; V261-I265 WeakPolarHBondContact O-CG1 3.24Å; V261-I265 PolarHBondContact O-N 3.26Å
262	L	78.9	Confident	81.7	Confident	30 Å²	30	69.9 Å²	69.9	16%	0.157	38%	0.38	C	S	.	.	H	α-helix	trans	-62.2	-43.3	175.5	-178.2	69.2	0	0	0	111.1	L258 A259 A264 I265 I266 L515 V518 V519	L258-L262 PolarHBondContact O-N 2.99Å; A259-L262 PolarHBondContact O-N 3.21Å; L262-A264 VanDerWaalsContact C-N 3.34Å; L262-A264 PolarHBondContact O-N 3.48Å; L262-I265 PolarHBondContact O-N 3.39Å; L262-I265 VanDerWaalsContact O-N 3.14Å; L262-I266 HydrophobicContact CD1-CD1 4.37Å; L262-I266 HydrophobicContact CD1-CG1 4.41Å; L262-I266 HydrophobicContact CD2-CD1 4.16Å; L262-I266 HydrophobicContact CG-CD1 3.91Å; L262-I266 HydrophobicContact CG-CG1 4.32Å; L262-I266 WeakPolarHBondContact O-CG1 3.49Å; L262-I266 PolarHBondContact O-N 3.46Å; L262-L515 HydrophobicContact CB-CD2 4.19Å; L262-L515 HydrophobicContact CD2-CD2 3.2Å; L262-L515 HydrophobicContact CG-CD2 4.24Å; L262-V518 HydrophobicContact CD1-CG1 4.12Å; L262-V519 HydrophobicContact CB-CG2 4.5Å; L262-V519 HydrophobicContact CD1-CG2 3.78Å
263	G	85.2	Confident	81.3	Confident	30 Å²	30	69.1 Å²	69.1	31%	0.309	37%	0.373	S	S	.	.	H	α-helix	trans	-57.4	-46.2	177	0	0	0	0	0	111.8	A259 G260 V261 I265 I266 V267	A259-G263 PolarHBondContact O-N 2.91Å; G260-G263 PolarHBondContact O-N 3.26Å; V261-G263 VanDerWaalsContact C-N 3.33Å; V261-G263 PolarHBondContact O-N 3.32Å; G263-I265 VanDerWaalsContact C-N 3.33Å; G263-I265 PolarHBondContact O-N 3.4Å; G263-I266 PolarHBondContact O-N 2.81Å; G263-V267 WeakPolarHBondContact O-CB 3.49Å; G263-V267 VanDerWaalsContact O-CG2 3.28Å; G263-V267 WeakPolarHBondContact O-CG2 3.46Å; G263-V267 PolarHBondContact O-N 3.41Å
264	A	85.2	Confident	80.9	Confident	64 Å²	64	69.5 Å²	69.5	53%	0.529	37%	0.372	S	S	.	.	H	α-helix	trans	-61.5	-39	175.3	0	0	0	0	0	112.4	G260 V261 L262 R268	G260-A264 WeakPolarHBondContact O-CB 3.39Å; G260-A264 PolarHBondContact O-N 3.12Å; V261-A264 PolarHBondContact O-N 2.81Å; L262-A264 VanDerWaalsContact C-N 3.34Å; L262-A264 PolarHBondContact O-N 3.48Å; A264-R268 WeakPolarHBondContact O-CB 3.27Å; A264-R268 PolarHBondContact O-N 3.37Å
265	I	78.2	Confident	81	Confident	19 Å²	19	71.5 Å²	71.5	10%	0.097	39%	0.389	C	S	.	.	H	α-helix	trans	-66	-46.3	175.7	-68.9	164.2	0	0	0	111	V261 L262 G263 V267 R268 I269 V519 Y522 F523	V261-I265 HydrophobicContact CG1-CD1 3.97Å; V261-I265 WeakPolarHBondContact O-CG1 3.24Å; V261-I265 PolarHBondContact O-N 3.26Å; L262-I265 PolarHBondContact O-N 3.39Å; L262-I265 VanDerWaalsContact O-N 3.14Å; G263-I265 VanDerWaalsContact C-N 3.33Å; G263-I265 PolarHBondContact O-N 3.4Å; I265-V267 VanDerWaalsContact C-N 3.34Å; I265-V267 PolarHBondContact O-N 3.01Å; I265-R268 WeakPolarHBondContact O-CB 3.28Å; I265-R268 PolarHBondContact O-N 3.24Å; I265-R268 VanDerWaalsContact O-N 3.16Å; I265-I269 HydrophobicContact CG2-CD1 3.87Å; I265-I269 HydrophobicContact CG2-CG1 4.42Å; I265-I269 VanDerWaalsContact O-CG1 3.29Å; I265-I269 WeakPolarHBondContact O-CG1 3.34Å; I265-I269 PolarHBondContact O-N 2.87Å; I265-V519 HydrophobicContact CD1-CB 4.16Å; I265-V519 HydrophobicContact CD1-CG1 3.54Å; I265-V519 HydrophobicContact CD1-CG2 3.63Å; I265-Y522 HydrophobicContact CG2-CD1 3.82Å; I265-Y522 HydrophobicContact CG2-CE1 4.03Å; I265-F523 HydrophobicContact CD1-CE2 4.19Å; I265-F523 HydrophobicContact CD1-CZ 4.14Å; I265-F523 HydrophobicContact CG1-CZ 4.48Å
266	I	80	Confident	80.6	Confident	83 Å²	83	71.9 Å²	71.9	43%	0.426	39%	0.389	S	S	.	.	H	α-helix	trans	-60.6	-45.8	176.8	-68.4	171.9	0	0	0	110.2	L262 G263 R268 I269 V270	L262-I266 HydrophobicContact CD1-CD1 4.37Å; L262-I266 HydrophobicContact CD1-CG1 4.41Å; L262-I266 HydrophobicContact CD2-CD1 4.16Å; L262-I266 HydrophobicContact CG-CD1 3.91Å; L262-I266 HydrophobicContact CG-CG1 4.32Å; L262-I266 WeakPolarHBondContact O-CG1 3.49Å; L262-I266 PolarHBondContact O-N 3.46Å; G263-I266 PolarHBondContact O-N 2.81Å; I266-R268 VanDerWaalsContact C-N 3.29Å; I266-R268 PolarHBondContact O-N 3.26Å; I266-I269 WeakPolarHBondContact O-CB 3.36Å; I266-I269 PolarHBondContact O-N 2.91Å; I266-V270 HydrophobicContact CG2-CG2 4.27Å; I266-V270 WeakPolarHBondContact O-CB 3.27Å; I266-V270 VanDerWaalsContact O-CG2 3.31Å; I266-V270 WeakPolarHBondContact O-CG2 3.21Å; I266-V270 PolarHBondContact O-N 3.08Å
267	V	84.1	Confident	79.8	Confident	70 Å²	70	73.2 Å²	73.2	42%	0.424	39%	0.387	S	S	.	.	H	α-helix	trans	-59.9	-41.8	175.7	170.7	0	0	0	0	110.8	G263 I265 V270 R271	G263-V267 WeakPolarHBondContact O-CB 3.49Å; G263-V267 VanDerWaalsContact O-CG2 3.28Å; G263-V267 WeakPolarHBondContact O-CG2 3.46Å; G263-V267 PolarHBondContact O-N 3.41Å; I265-V267 VanDerWaalsContact C-N 3.34Å; I265-V267 PolarHBondContact O-N 3.01Å; V267-V270 PolarHBondContact O-N 3.14Å; V267-R271 HydrophobicContact CG1-CG 4.29Å; V267-R271 VanDerWaalsContact O-CB 3.31Å; V267-R271 WeakPolarHBondContact O-CB 3.38Å; V267-R271 VanDerWaalsContact O-CG 3.24Å; V267-R271 WeakPolarHBondContact O-CG 3.14Å; V267-R271 PolarHBondContact O-N 3.47Å
268	R	82.4	Confident	79.5	Confident	195 Å²	195	71.5 Å²	71.5	74%	0.736	38%	0.383	S	S	*	.	H	α-helix	trans	-63.8	-41.4	176.1	-175.4	176.9	177.9	160.1	0.4	112.3	A264 I265 I266 K272	A264-R268 WeakPolarHBondContact O-CB 3.27Å; A264-R268 PolarHBondContact O-N 3.37Å; I265-R268 WeakPolarHBondContact O-CB 3.28Å; I265-R268 PolarHBondContact O-N 3.24Å; I265-R268 VanDerWaalsContact O-N 3.16Å; I266-R268 VanDerWaalsContact C-N 3.29Å; I266-R268 PolarHBondContact O-N 3.26Å; R268-K272 WeakPolarHBondContact O-CB 3.34Å; R268-K272 PolarHBondContact O-N 3.15Å
269	I	74.4	Confident	79.1	Confident	19 Å²	19	77.3 Å²	77.3	10%	0.097	41%	0.408	C	S	.	.	H	α-helix	trans	-60.1	-55	174.8	-69.7	163	0	0	0	109.7	I265 I266 R271 K272 D273 Y522	I265-I269 HydrophobicContact CG2-CD1 3.87Å; I265-I269 HydrophobicContact CG2-CG1 4.42Å; I265-I269 VanDerWaalsContact O-CG1 3.29Å; I265-I269 WeakPolarHBondContact O-CG1 3.34Å; I265-I269 PolarHBondContact O-N 2.87Å; I266-I269 WeakPolarHBondContact O-CB 3.36Å; I266-I269 PolarHBondContact O-N 2.91Å; I269-R271 VanDerWaalsContact C-N 3.32Å; I269-R271 PolarHBondContact O-N 3.4Å; I269-K272 PolarHBondContact O-N 3.17Å; I269-K272 VanDerWaalsContact O-N 3.13Å; I269-D273 PolarHBondContact O-N 3.48Å; I269-Y522 HydrophobicContact CD1-CD1 4.28Å; I269-Y522 HydrophobicContact CD1-CD2 3.72Å; I269-Y522 HydrophobicContact CD1-CE1 4.01Å; I269-Y522 HydrophobicContact CD1-CE2 3.41Å; I269-Y522 VanDerWaalsContact CD1-CE2 3.41Å; I269-Y522 HydrophobicContact CD1-CG 4.15Å; I269-Y522 HydrophobicContact CG1-CD2 4.38Å; I269-Y522 HydrophobicContact CG1-CE1 4Å; I269-Y522 HydrophobicContact CG1-CE2 3.58Å; I269-Y522 VanDerWaalsContact CG1-OH 3.32Å; I269-Y522 WeakPolarHBondContact CG1-OH 3.24Å
270	V	77.1	Confident	78.3	Confident	73 Å²	73	79.4 Å²	79.4	44%	0.442	41%	0.412	S	S	.	.	H	α-helix	trans	-60.2	-43.3	-177.2	171.7	0	0	0	0	110.6	I266 V267 D273 I274	I266-V270 HydrophobicContact CG2-CG2 4.27Å; I266-V270 WeakPolarHBondContact O-CB 3.27Å; I266-V270 VanDerWaalsContact O-CG2 3.31Å; I266-V270 WeakPolarHBondContact O-CG2 3.21Å; I266-V270 PolarHBondContact O-N 3.08Å; V267-V270 PolarHBondContact O-N 3.14Å; V270-D273 PolarHBondContact O-N 3.42Å; V270-I274 HydrophobicContact CG1-CD1 3.69Å; V270-I274 HydrophobicContact CG1-CG1 4.39Å; V270-I274 WeakPolarHBondContact O-CB 3.5Å; V270-I274 VanDerWaalsContact O-CG1 3.23Å; V270-I274 WeakPolarHBondContact O-CG1 3.42Å; V270-I274 PolarHBondContact O-N 3.48Å
271	R	84.2	Confident	77.2	Confident	181 Å²	181	84 Å²	84	68%	0.683	42%	0.421	S	S	*	.	H	α-helix	trans	-62.6	-42.6	175.7	-75.4	179.2	-178.5	-167.3	1.6	112.6	V267 I269 A275	V267-R271 HydrophobicContact CG1-CG 4.29Å; V267-R271 VanDerWaalsContact O-CB 3.31Å; V267-R271 WeakPolarHBondContact O-CB 3.38Å; V267-R271 VanDerWaalsContact O-CG 3.24Å; V267-R271 WeakPolarHBondContact O-CG 3.14Å; V267-R271 PolarHBondContact O-N 3.47Å; I269-R271 VanDerWaalsContact C-N 3.32Å; I269-R271 PolarHBondContact O-N 3.4Å; R271-A275 WeakPolarHBondContact O-CB 3.45Å; R271-A275 PolarHBondContact O-N 2.99Å
272	K	80.1	Confident	76.7	Confident	105 Å²	105	88.1 Å²	88.1	46%	0.457	44%	0.441	S	S	.	.	H	α-helix	trans	-64.2	-44.4	177.2	-176.1	-177.6	174.3	-174.5	0	111.1	R268 I269 A275 Q276	R268-K272 WeakPolarHBondContact O-CB 3.34Å; R268-K272 PolarHBondContact O-N 3.15Å; I269-K272 PolarHBondContact O-N 3.17Å; I269-K272 VanDerWaalsContact O-N 3.13Å; K272-A275 PolarHBondContact O-N 3.43Å; K272-Q276 WeakPolarHBondContact O-CB 3.41Å; K272-Q276 PolarHBondContact O-N 3.32Å
273	D	71.7	Confident	76	Confident	45 Å²	45	88.7 Å²	88.7	24%	0.241	45%	0.447	C	S	.	.	H	α-helix	trans	-65.4	-42.3	179.1	-86.1	-17	0	0	0	112	I269 V270 Q276 Y277 K293	I269-D273 PolarHBondContact O-N 3.48Å; V270-D273 PolarHBondContact O-N 3.42Å; D273-Q276 PolarHBondContact O-N 3.44Å; D273-Y277 WeakPolarHBondContact O-CB 3.38Å; D273-Y277 PolarHBondContact O-N 3.48Å; D273-K293 WeakPolarHBondContact OD1-CE 3.3Å; D273-K293 IonicContact OD1-NZ 3.05Å; D273-K293 PolarHBondContact OD1-NZ 2.91Å; D273-K293 IonicContact OD2-NZ 3.77Å
274	I	77.2	Confident	74.9	Confident	94 Å²	94	95.9 Å²	95.9	48%	0.482	48%	0.479	S	S	.	.	H	α-helix	trans	-61.1	-46.6	174.3	-68.5	166.1	0	0	0	110.6	V270 Q276 Y277 N278	V270-I274 HydrophobicContact CG1-CD1 3.69Å; V270-I274 HydrophobicContact CG1-CG1 4.39Å; V270-I274 WeakPolarHBondContact O-CB 3.5Å; V270-I274 VanDerWaalsContact O-CG1 3.23Å; V270-I274 WeakPolarHBondContact O-CG1 3.42Å; V270-I274 PolarHBondContact O-N 3.48Å; I274-Q276 VanDerWaalsContact C-N 3.29Å; I274-Q276 PolarHBondContact O-N 2.84Å; I274-Y277 PolarHBondContact O-N 3.14Å; I274-N278 PolarHBondContact O-N 3.18Å
275	A	78.8	Confident	73.8	Confident	54 Å²	54	99 Å²	99	45%	0.446	49%	0.486	S	S	.	.	H	α-helix	trans	-62.5	-37.3	178.8	0	0	0	0	0	112.3	R271 K272 K279	R271-A275 WeakPolarHBondContact O-CB 3.45Å; R271-A275 PolarHBondContact O-N 2.99Å; K272-A275 PolarHBondContact O-N 3.43Å; A275-K279 PolarHBondContact O-N 2.81Å
276	Q	72.7	Confident	73.1	Confident	42 Å²	42	102.7 Å²	102.7	20%	0.196	52%	0.52	C	S	.	.	H	α-helix	trans	-72.9	-36.5	177.3	-170.5	167.4	-4.5	0	0	112.4	K272 D273 I274 K279 L280	K272-Q276 WeakPolarHBondContact O-CB 3.41Å; K272-Q276 PolarHBondContact O-N 3.32Å; D273-Q276 PolarHBondContact O-N 3.44Å; I274-Q276 VanDerWaalsContact C-N 3.29Å; I274-Q276 PolarHBondContact O-N 2.84Å; Q276-K279 PolarHBondContact O-N 3.44Å; Q276-L280 PolarHBondContact O-N 3.39Å; Q276-L280 VanDerWaalsContact O-N 3.12Å
277	Y	69.7	Low	72.1	Confident	147 Å²	147	102.2 Å²	102.2	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-62.7	-43.4	173.6	-174.2	-91.9	0	0	0	111.8	D273 I274 K279 L280 H281	D273-Y277 WeakPolarHBondContact O-CB 3.38Å; D273-Y277 PolarHBondContact O-N 3.48Å; I274-Y277 PolarHBondContact O-N 3.14Å; Y277-K279 VanDerWaalsContact C-N 3.31Å; Y277-K279 PolarHBondContact O-N 3.02Å; Y277-L280 PolarHBondContact O-N 2.88Å; Y277-H281 PolarHBondContact O-N 3.38Å; Y277-H281 VanDerWaalsContact O-N 3.16Å
278	N	76.7	Confident	71.1	Confident	88 Å²	88	107.4 Å²	107.4	47%	0.471	54%	0.537	S	S	.	.	H	α-helix	trans	-60.8	-40.7	175.7	-69.7	-5.8	0	0	0	111.6	I274 L280 H281 D282	I274-N278 PolarHBondContact O-N 3.18Å; N278-L280 PolarHBondContact O-N 3.36Å; N278-H281 WeakPolarHBondContact O-CB 3.36Å; N278-H281 PolarHBondContact O-N 3.47Å; N278-H281 VanDerWaalsContact O-N 3.14Å; N278-D282 PolarHBondContact O-N 3.48Å; N278-D282 VanDerWaalsContact O-N 3.16Å
279	K	72.9	Confident	70.4	Confident	135 Å²	135	101.1 Å²	101.1	59%	0.587	52%	0.517	S	S	*	.	H	α-helix	trans	-62.9	-39.2	175.8	-75.8	-174.5	176.4	-168.2	0	113.8	A275 Q276 Y277 H281 D282 S283 L287	A275-K279 PolarHBondContact O-N 2.81Å; Q276-K279 PolarHBondContact O-N 3.44Å; Y277-K279 VanDerWaalsContact C-N 3.31Å; Y277-K279 PolarHBondContact O-N 3.02Å; K279-H281 PolarHBondContact O-N 2.93Å; K279-D282 PolarHBondContact O-N 2.81Å; K279-D282 VanDerWaalsContact O-N 3.16Å; K279-S283 PolarHBondContact O-N 2.95Å; K279-S283 PolarHBondContact O-OG 3.4Å; K279-L287 HydrophobicContact CB-CD1 4.22Å
280	L	66.6	Low	70.3	Confident	91 Å²	91	103 Å²	103	48%	0.476	53%	0.531	S	S	.	.	H	α-helix	trans	-64.8	-30.8	175.6	-174.4	69.1	0	0	0	111.6	Q276 Y277 N278 D282 L287	Q276-L280 PolarHBondContact O-N 3.39Å; Q276-L280 VanDerWaalsContact O-N 3.12Å; Y277-L280 PolarHBondContact O-N 2.88Å; N278-L280 PolarHBondContact O-N 3.36Å; L280-D282 VanDerWaalsContact C-N 3.31Å; L280-L287 HydrophobicContact CB-CD1 3.94Å; L280-L287 HydrophobicContact CD1-CB 4.4Å; L280-L287 HydrophobicContact CD1-CD1 4.05Å
281	H	64.7	Low	70.5	Confident	144 Å²	144	100 Å²	100	67%	0.667	52%	0.515	S	S	*	.	H	α-helix	trans	-72.5	-26.9	174.8	-132.1	-61.2	0	0	0	112.9	Y277 N278 K279	Y277-H281 PolarHBondContact O-N 3.38Å; Y277-H281 VanDerWaalsContact O-N 3.16Å; N278-H281 WeakPolarHBondContact O-CB 3.36Å; N278-H281 PolarHBondContact O-N 3.47Å; N278-H281 VanDerWaalsContact O-N 3.14Å; K279-H281 PolarHBondContact O-N 2.93Å
282	D	69.7	Low	70.5	Confident	142 Å²	142	92.1 Å²	92.1	76%	0.759	49%	0.485	S	S	*	.	H	α-helix	trans	-92.4	-14.1	-179	-66.7	-25.5	0	0	0	113.6	N278 K279 L280	N278-D282 PolarHBondContact O-N 3.48Å; N278-D282 VanDerWaalsContact O-N 3.16Å; K279-D282 PolarHBondContact O-N 2.81Å; K279-D282 VanDerWaalsContact O-N 3.16Å; L280-D282 VanDerWaalsContact C-N 3.31Å
283	S	63.8	Low	70.7	Confident	42 Å²	42	89 Å²	89	29%	0.294	47%	0.471	S	S	.	.			trans	-128.8	126.8	-178	52.8	0	0	0	0	111.7	K279 D285	K279-S283 PolarHBondContact O-N 2.95Å; K279-S283 PolarHBondContact O-OG 3.4Å; S283-D285 PolarHBondContact O-N 3.01Å
284	D	63.3	Low	71.4	Confident	180 Å²	180	89.1 Å²	89.1	96%	0.963	47%	0.472	S	S	*	.			trans	-71	-3.3	176.3	-81.8	-24.3	0	0	0	113.4
285	D	61.5	Low	72	Confident	129 Å²	129	84.7 Å²	84.7	69%	0.69	45%	0.449	S	S	*	.	S	Bend	trans	-80.6	133.9	177.7	-69.3	-35.3	0	0	0	111.3	S283 L287	S283-D285 PolarHBondContact O-N 3.01Å; D285-L287 VanDerWaalsContact C-N 3.33Å; D285-L287 PolarHBondContact O-N 3.35Å
286	A	62.5	Low	72.5	Confident	97 Å²	97	83.9 Å²	83.9	80%	0.802	44%	0.436	S	S	*	.			trans	-61.9	93.9	167.4	0	0	0	0	0	109.4	E288	A286-E288 PolarHBondContact O-N 3.02Å; A286-E288 VanDerWaalsContact O-N 3.12Å
287	L	59.2	Low	73.3	Confident	73 Å²	73	82 Å²	82	38%	0.382	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-53.1	118.8	174.9	-89.8	152.8	0	0	0	109.8	K279 L280 D285 E289	K279-L287 HydrophobicContact CB-CD1 4.22Å; L280-L287 HydrophobicContact CB-CD1 3.94Å; L280-L287 HydrophobicContact CD1-CB 4.4Å; L280-L287 HydrophobicContact CD1-CD1 4.05Å; D285-L287 VanDerWaalsContact C-N 3.33Å; D285-L287 PolarHBondContact O-N 3.35Å; L287-E289 PolarHBondContact O-N 3.11Å; L287-E289 VanDerWaalsContact O-N 3.1Å
288	E	63.2	Low	74.3	Confident	179 Å²	179	75.3 Å²	75.3	84%	0.836	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-54.6	118.5	171	-66.4	-175.4	168.3	0	0	109.1	A286 S290	A286-E288 PolarHBondContact O-N 3.02Å; A286-E288 VanDerWaalsContact O-N 3.12Å; E288-S290 PolarHBondContact O-N 3.27Å; E288-S290 VanDerWaalsContact O-N 3.13Å
289	E	68.1	Low	75.1	Confident	64 Å²	64	71.1 Å²	71.1	30%	0.299	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-57.2	121	174.3	-65.1	-167.7	151.2	0	0	108.5	L287 K293 L294 H296	L287-E289 PolarHBondContact O-N 3.11Å; L287-E289 VanDerWaalsContact O-N 3.1Å; E289-K293 HydrophobicContact CB-CB 4.16Å; E289-L294 WeakPolarHBondContact O-CB 3.33Å; E289-L294 WeakPolarHBondContact O-CD1 3.3Å; E289-L294 WeakPolarHBondContact O-CD2 3.45Å; E289-H296 IonicContact OE2-CE1 3.33Å; E289-H296 IonicContact OE2-ND1 3.75Å; E289-H296 PolarHBondContact OE2-ND1 3.32Å
290	S	71.9	Confident	76.1	Confident	58 Å²	58	65.2 Å²	65.2	41%	0.406	35%	0.354	S	S	.	.			trans	-114.6	148.8	-179.7	54.7	0	0	0	0	112.3	E288	E288-S290 PolarHBondContact O-N 3.27Å; E288-S290 VanDerWaalsContact O-N 3.13Å
291	G	80.9	Confident	77.4	Confident	9 Å²	9	64.1 Å²	64.1	9%	0.093	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	-133.2	178.9	0	0	0	0	0	113.2	K293 L294 E528	G291-K293 VanDerWaalsContact C-N 3.29Å; G291-K293 PolarHBondContact O-N 3.11Å; G291-L294 WeakPolarHBondContact O-CB 3.41Å; G291-L294 PolarHBondContact O-N 3.41Å; G291-E528 PolarHBondContact N-OE1 3.01Å
292	W	84.9	Confident	78.7	Confident	16 Å²	16	60.3 Å²	60.3	6%	0.061	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-26	-171	67	-93	0	0	0	114.4	I295 L525 I600 Y601 V604	W292-I295 WeakPolarHBondContact O-CG1 3.47Å; W292-L525 WeakPolarHBondContact CA-O 3.21Å; W292-L525 HydrophobicContact CB-CB 3.74Å; W292-L525 WeakPolarHBondContact CB-O 3.41Å; W292-L525 PolarHBondContact N-O 3.39Å; W292-I600 HydrophobicContact CD2-CD1 3.99Å; W292-I600 HydrophobicContact CE3-CD1 3.94Å; W292-I600 HydrophobicContact CE3-CG1 4.24Å; W292-I600 HydrophobicContact CE3-CG2 4.46Å; W292-I600 HydrophobicContact CH2-CD1 3.74Å; W292-I600 HydrophobicContact CH2-CG1 3.52Å; W292-I600 HydrophobicContact CZ2-CD1 3.76Å; W292-I600 HydrophobicContact CZ2-CG1 4.01Å; W292-I600 HydrophobicContact CZ3-CB 4.44Å; W292-I600 HydrophobicContact CZ3-CD1 3.82Å; W292-I600 HydrophobicContact CZ3-CG1 3.64Å; W292-I600 HydrophobicContact CZ3-CG2 4.24Å; W292-Y601 AromaticContact CE3-CE1 4Å; W292-Y601 HydrophobicContact CE3-CE1 4Å; W292-Y601 AromaticContact CE3-CZ 3.99Å; W292-Y601 HydrophobicContact CZ3-CD1 4.4Å; W292-Y601 HydrophobicContact CZ3-CE1 4.24Å; W292-Y601 WeakPolarHBondContact O-CE1 3.35Å; W292-Y601 PolarHBondContact O-OH 3.33Å; W292-V604 HydrophobicContact CH2-CG2 3.66Å; W292-V604 HydrophobicContact CZ3-CG2 3.49Å; W292-V604 VanDerWaalsContact CZ3-CG2 3.49Å
293	K	85.3	Confident	79.9	Confident	39 Å²	39	54.1 Å²	54.1	17%	0.17	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-37.7	177.8	-67.7	-178.5	-174.5	168.7	0	111.9	D273 E289 G291 I295 H296	D273-K293 WeakPolarHBondContact OD1-CE 3.3Å; D273-K293 IonicContact OD1-NZ 3.05Å; D273-K293 PolarHBondContact OD1-NZ 2.91Å; D273-K293 IonicContact OD2-NZ 3.77Å; E289-K293 HydrophobicContact CB-CB 4.16Å; G291-K293 VanDerWaalsContact C-N 3.29Å; G291-K293 PolarHBondContact O-N 3.11Å; K293-I295 PolarHBondContact O-N 2.98Å; K293-I295 VanDerWaalsContact O-N 3.15Å; K293-H296 VanDerWaalsContact O-CB 3.28Å; K293-H296 WeakPolarHBondContact O-CB 3.49Å; K293-H296 PolarHBondContact O-N 2.91Å; K293-H296 VanDerWaalsContact O-N 3.11Å; K293-H296 PolarHBondContact O-ND1 2.91Å
294	L	86.3	Confident	81.3	Confident	48 Å²	48	56.4 Å²	56.4	25%	0.251	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.2	-178.2	-170.4	49.7	0	0	0	114.2	E289 G291 H296 R453	E289-L294 WeakPolarHBondContact O-CB 3.33Å; E289-L294 WeakPolarHBondContact O-CD1 3.3Å; E289-L294 WeakPolarHBondContact O-CD2 3.45Å; G291-L294 WeakPolarHBondContact O-CB 3.41Å; G291-L294 PolarHBondContact O-N 3.41Å; L294-H296 VanDerWaalsContact C-N 3.34Å; L294-R453 VanDerWaalsContact CG-NH1 3.26Å
295	I	89.9	Confident	82.8	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	14.6	-178.2	59.6	166.5	0	0	0	113.5	W292 K293 G297 D298 I299 L525 E528 Y601	W292-I295 WeakPolarHBondContact O-CG1 3.47Å; K293-I295 PolarHBondContact O-N 2.98Å; K293-I295 VanDerWaalsContact O-N 3.15Å; I295-G297 PolarHBondContact O-N 3.01Å; I295-G297 VanDerWaalsContact O-N 3.15Å; I295-D298 PolarHBondContact O-N 3.25Å; I295-I299 PolarHBondContact O-N 3.1Å; I295-L525 HydrophobicContact CD1-CB 4.26Å; I295-L525 HydrophobicContact CD1-CD2 3.73Å; I295-E528 HydrophobicContact CG2-CB 4.04Å; I295-Y601 WeakPolarHBondContact CG1-OH 3.42Å
296	H	88.9	Confident	84.4	Confident	37 Å²	37	51.5 Å²	51.5	17%	0.171	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-33.9	179.5	67.8	-98.1	0	0	0	113	E289 K293 L294 D298 I299 V446 Y601 I606	E289-H296 IonicContact OE2-CE1 3.33Å; E289-H296 IonicContact OE2-ND1 3.75Å; E289-H296 PolarHBondContact OE2-ND1 3.32Å; K293-H296 VanDerWaalsContact O-CB 3.28Å; K293-H296 WeakPolarHBondContact O-CB 3.49Å; K293-H296 PolarHBondContact O-N 2.91Å; K293-H296 VanDerWaalsContact O-N 3.11Å; K293-H296 PolarHBondContact O-ND1 2.91Å; L294-H296 VanDerWaalsContact C-N 3.34Å; H296-D298 VanDerWaalsContact C-N 3.33Å; H296-D298 PolarHBondContact O-N 3.05Å; H296-I299 WeakPolarHBondContact O-CG2 3.42Å; H296-V446 HydrophobicContact CB-CG1 4.1Å; H296-V446 WeakPolarHBondContact O-CG1 3.23Å; H296-Y601 HydrophobicContact CB-CD1 3.92Å; H296-Y601 HydrophobicContact CB-CE1 3.76Å; H296-I606 HydrophobicContact CB-CD1 3.39Å; H296-I606 WeakPolarHBondContact CD2-CD1 3.42Å
297	G	89	Confident	86	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.021	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-13.1	-179.9	0	0	0	0	0	115	I295 T448 N449	I295-G297 PolarHBondContact O-N 3.01Å; I295-G297 VanDerWaalsContact O-N 3.15Å; G297-T448 CarbonylContact O-C 3.58Å; G297-T448 WeakPolarHBondContact O-CA 3.49Å; G297-N449 PolarHBondContact O-N 3.37Å
298	D	91.9	Very high	87.8	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.037	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-13.4	-176.7	-79.5	-50.4	0	0	0	114.1	I295 H296 F300 R301 P452 R453 Y530	I295-D298 PolarHBondContact O-N 3.25Å; H296-D298 VanDerWaalsContact C-N 3.33Å; H296-D298 PolarHBondContact O-N 3.05Å; D298-F300 VanDerWaalsContact C-N 3.29Å; D298-F300 PolarHBondContact O-N 2.7Å; D298-F300 VanDerWaalsContact O-N 3.17Å; D298-R301 VanDerWaalsContact O-CB 3.3Å; D298-R301 WeakPolarHBondContact O-CB 3.16Å; D298-R301 PolarHBondContact O-N 2.93Å; D298-R301 VanDerWaalsContact O-N 3.12Å; D298-R301 IonicContact OD1-CZ 2.96Å; D298-R301 IonicContact OD1-NE 2.78Å; D298-R301 PolarHBondContact OD1-NE 2.97Å; D298-R301 IonicContact OD1-NH2 3.5Å; D298-R301 PolarHBondContact OD1-NH2 3.45Å; D298-P452 WeakPolarHBondContact OD1-CA 3.46Å; D298-R453 WeakPolarHBondContact OD2-CB 3.33Å; D298-R453 PolarHBondContact OD2-N 2.88Å; D298-Y530 HydrophobicContact CB-CD1 3.87Å; D298-Y530 HydrophobicContact CB-CD2 4.07Å; D298-Y530 HydrophobicContact CB-CE1 4.25Å; D298-Y530 HydrophobicContact CB-CE2 4.45Å; D298-Y530 HydrophobicContact CB-CG 3.77Å
299	I	92.2	Very high	89.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-35.9	-172.8	-171	75	0	0	0	114.7	I295 H296 L525 W532 V597 Y601	I295-I299 PolarHBondContact O-N 3.1Å; H296-I299 WeakPolarHBondContact O-CG2 3.42Å; I299-L525 HydrophobicContact CD1-CD1 3.96Å; I299-L525 HydrophobicContact CD1-CD2 3.23Å; I299-L525 HydrophobicContact CD1-CG 4.23Å; I299-W532 HydrophobicContact CD1-CG 4.38Å; I299-W532 PolarHBondContact O-NE1 3.32Å; I299-V597 HydrophobicContact CD1-CG1 4.06Å; I299-V597 HydrophobicContact CG1-CG1 3.52Å; I299-Y601 HydrophobicContact CB-CE2 4.08Å; I299-Y601 HydrophobicContact CD1-CE2 3.8Å; I299-Y601 HydrophobicContact CG1-CD2 4.04Å; I299-Y601 HydrophobicContact CG1-CE2 3.49Å; I299-Y601 VanDerWaalsContact CG1-CE2 3.49Å; I299-Y601 HydrophobicContact CG2-CD2 4.16Å; I299-Y601 HydrophobicContact CG2-CE1 4.48Å; I299-Y601 HydrophobicContact CG2-CE2 4.12Å; I299-Y601 HydrophobicContact CG2-CG 4.39Å
300	F	94	Very high	90.8	Very high	11 Å²	11	36.5 Å²	36.5	5%	0.048	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	13.6	-176.5	-65.9	-63.4	0	0	0	113.7	D298 N444 P445 V446 T448 W533 Y594 V597 R598	D298-F300 VanDerWaalsContact C-N 3.29Å; D298-F300 PolarHBondContact O-N 2.7Å; D298-F300 VanDerWaalsContact O-N 3.17Å; F300-N444 HydrophobicContact CB-CB 4.16Å; F300-N444 HydrophobicContact CD1-CB 3.96Å; F300-N444 HydrophobicContact CD2-CB 3.71Å; F300-N444 HydrophobicContact CE1-CB 4.33Å; F300-N444 HydrophobicContact CE2-CB 4.12Å; F300-N444 HydrophobicContact CG-CB 3.66Å; F300-N444 HydrophobicContact CZ-CB 4.42Å; F300-P445 HydrophobicContact CE2-CG 3.73Å; F300-P445 HydrophobicContact CZ-CG 3.86Å; F300-V446 HydrophobicContact CE2-CB 4.43Å; F300-T448 HydrophobicContact CB-CG2 4.01Å; F300-W533 HydrophobicContact CD1-CZ2 4.41Å; F300-Y594 HydrophobicContact CE1-CE2 4.3Å; F300-V597 HydrophobicContact CE1-CG1 3.89Å; F300-V597 HydrophobicContact CZ-CG1 3.95Å; F300-R598 HydrophobicContact CE1-CG 3.9Å; F300-R598 HydrophobicContact CZ-CG 4.14Å
301	R	93.6	Very high	92	Very high	69 Å²	69	33.8 Å²	33.8	26%	0.26	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-63.4	136.2	175.5	-170	176.2	-66.6	-87.4	-2.8	109.9	D298 N449 W533	D298-R301 VanDerWaalsContact O-CB 3.3Å; D298-R301 WeakPolarHBondContact O-CB 3.16Å; D298-R301 PolarHBondContact O-N 2.93Å; D298-R301 VanDerWaalsContact O-N 3.12Å; D298-R301 IonicContact OD1-CZ 2.96Å; D298-R301 IonicContact OD1-NE 2.78Å; D298-R301 PolarHBondContact OD1-NE 2.97Å; D298-R301 IonicContact OD1-NH2 3.5Å; D298-R301 PolarHBondContact OD1-NH2 3.45Å; R301-N449 PolarHBondContact NH2-O 3.41Å; R301-W533 PolarHBondContact O-NE1 2.95Å
302	P	93.2	Very high	92.8	Very high	64 Å²	64	34.1 Å²	34.1	42%	0.416	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-60.7	137.7	178.7	24.4	-34.3	0	0	0	110.8	F369	P302-F369 HydrophobicContact CB-CB 4.16Å; P302-F369 HydrophobicContact CB-CD1 4.15Å; P302-F369 HydrophobicContact CB-CG 4.45Å
303	P	94.8	Very high	93.5	Very high	12 Å²	12	33.4 Å²	33.4	8%	0.078	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-71.9	159	-177.7	26.8	-32.2	0	0	0	112.7	A306 L309 F369 W533	P303-A306 HydrophobicContact CG-CB 4.02Å; P303-A306 WeakPolarHBondContact O-CB 3.48Å; P303-A306 PolarHBondContact O-N 2.84Å; P303-L309 HydrophobicContact CB-CD2 4.45Å; P303-L309 HydrophobicContact CG-CD2 3.66Å; P303-F369 VanDerWaalsContact CD-CE1 3.48Å; P303-F369 HydrophobicContact CG-CE1 4.19Å; P303-F369 HydrophobicContact CG-CE2 4.44Å; P303-F369 HydrophobicContact CG-CZ 4.03Å; P303-W533 HydrophobicContact CB-CB 3.74Å; P303-W533 HydrophobicContact CB-CG 3.94Å; P303-W533 HydrophobicContact CG-CB 3.83Å; P303-W533 HydrophobicContact CG-CD2 4.36Å; P303-W533 HydrophobicContact CG-CG 3.85Å
304	P	93.1	Very high	94	Very high	90 Å²	90	31.5 Å²	31.5	58%	0.584	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	142.7	170.4	26.6	-34.6	0	0	0	109.6	A306 W534	P304-A306 PolarHBondContact O-N 3.4Å; P304-A306 VanDerWaalsContact O-N 3.17Å; P304-W534 PolarHBondContact O-NE1 2.72Å
305	R	95	Very high	94.6	Very high	199 Å²	199	29.2 Å²	29.2	75%	0.751	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	36.7	-177.9	-57.4	-179.9	175.8	176.6	-1	113.7	T307 L308 L309 W534	R305-T307 PolarHBondContact O-N 3.18Å; R305-L308 HydrophobicContact CB-CB 4.4Å; R305-L308 WeakPolarHBondContact O-CB 3.42Å; R305-L308 PolarHBondContact O-N 3.1Å; R305-L309 PolarHBondContact O-N 3.35Å; R305-W534 HydrophobicContact CB-CZ2 4.23Å
306	A	95	Very high	94.9	Very high	7 Å²	7	29.2 Å²	29.2	6%	0.058	15%	0.146	C	C	.	.	H	α-helix	trans	-50.8	-31.6	-179.8	0	0	0	0	0	114.6	P303 P304 L308 L309 V310 F369 L371	P303-A306 HydrophobicContact CG-CB 4.02Å; P303-A306 WeakPolarHBondContact O-CB 3.48Å; P303-A306 PolarHBondContact O-N 2.84Å; P304-A306 PolarHBondContact O-N 3.4Å; P304-A306 VanDerWaalsContact O-N 3.17Å; A306-L308 VanDerWaalsContact C-N 3.29Å; A306-L308 PolarHBondContact O-N 3.41Å; A306-L309 PolarHBondContact O-N 3.42Å; A306-V310 VanDerWaalsContact O-CG2 3.31Å; A306-V310 WeakPolarHBondContact O-CG2 3.31Å; A306-V310 PolarHBondContact O-N 2.9Å; A306-F369 HydrophobicContact CB-CB 4.37Å; A306-F369 HydrophobicContact CB-CD2 3.88Å; A306-F369 HydrophobicContact CB-CE2 4.39Å; A306-F369 HydrophobicContact CB-CG 4.19Å; A306-L371 HydrophobicContact CB-CD1 3.9Å
307	T	96.1	Very high	95.4	Very high	51 Å²	51	28.3 Å²	28.3	31%	0.313	14%	0.143	S	C	.	.	H	α-helix	trans	-60.7	-36.5	175	64.7	0	0	0	0	112.9	R305 A311 Y366 L371	R305-T307 PolarHBondContact O-N 3.18Å; T307-A311 PolarHBondContact O-N 3.08Å; T307-Y366 HydrophobicContact CG2-CE2 3.93Å; T307-L371 HydrophobicContact CG2-CD1 3.94Å
308	L	96.6	Very high	95.8	Very high	47 Å²	47	28.2 Å²	28.2	25%	0.246	14%	0.142	C	C	.	.	H	α-helix	trans	-73.1	-43.1	176.8	-178.7	65.5	0	0	0	110.7	R305 A306 V310 A311 L312 L384 W534	R305-L308 HydrophobicContact CB-CB 4.4Å; R305-L308 WeakPolarHBondContact O-CB 3.42Å; R305-L308 PolarHBondContact O-N 3.1Å; A306-L308 VanDerWaalsContact C-N 3.29Å; A306-L308 PolarHBondContact O-N 3.41Å; L308-V310 VanDerWaalsContact C-N 3.32Å; L308-V310 PolarHBondContact O-N 2.94Å; L308-A311 WeakPolarHBondContact O-CB 3.45Å; L308-A311 PolarHBondContact O-N 3.45Å; L308-A311 VanDerWaalsContact O-N 3.14Å; L308-L312 HydrophobicContact CD1-CD1 4.34Å; L308-L312 HydrophobicContact CD1-CG 4.31Å; L308-L312 HydrophobicContact CG-CD1 3.99Å; L308-L312 HydrophobicContact CG-CG 4.37Å; L308-L312 WeakPolarHBondContact O-CG 3.21Å; L308-L312 PolarHBondContact O-N 2.9Å; L308-L384 HydrophobicContact CD1-CD1 3.62Å; L308-W534 HydrophobicContact CB-CH2 4.08Å; L308-W534 HydrophobicContact CB-CZ2 4.32Å; L308-W534 HydrophobicContact CD2-CH2 3.97Å; L308-W534 HydrophobicContact CG-CH2 3.9Å
309	L	97.5	Very high	96	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.7	-46.1	177.1	-176.9	61.9	0	0	0	110.9	P303 R305 A306 A311 L312 V313 F369 W533 W534 F537 F590	P303-L309 HydrophobicContact CB-CD2 4.45Å; P303-L309 HydrophobicContact CG-CD2 3.66Å; R305-L309 PolarHBondContact O-N 3.35Å; A306-L309 PolarHBondContact O-N 3.42Å; L309-A311 VanDerWaalsContact C-N 3.3Å; L309-A311 PolarHBondContact O-N 3.35Å; L309-L312 PolarHBondContact O-N 3.27Å; L309-V313 HydrophobicContact CD1-CG2 4Å; L309-V313 HydrophobicContact CG-CG2 4.25Å; L309-V313 WeakPolarHBondContact O-CB 3.46Å; L309-V313 VanDerWaalsContact O-CG2 3.24Å; L309-V313 WeakPolarHBondContact O-CG2 3.45Å; L309-V313 PolarHBondContact O-N 3.31Å; L309-F369 HydrophobicContact CD2-CE2 4.48Å; L309-F369 HydrophobicContact CD2-CZ 4.32Å; L309-W533 HydrophobicContact CD2-CB 4.02Å; L309-W534 HydrophobicContact CB-CD2 4.47Å; L309-W534 HydrophobicContact CB-CH2 3.66Å; L309-W534 HydrophobicContact CB-CZ2 3.55Å; L309-W534 HydrophobicContact CB-CZ3 4.17Å; L309-W534 HydrophobicContact CD1-CD2 4.04Å; L309-W534 HydrophobicContact CD1-CE3 3.68Å; L309-W534 HydrophobicContact CD1-CH2 4.13Å; L309-W534 HydrophobicContact CD1-CZ2 4.47Å; L309-W534 HydrophobicContact CD1-CZ3 3.73Å; L309-W534 HydrophobicContact CG-CH2 4.49Å; L309-W534 HydrophobicContact CG-CZ2 4.49Å; L309-F537 HydrophobicContact CD1-CB 4.1Å; L309-F537 HydrophobicContact CD1-CD2 4.45Å; L309-F537 HydrophobicContact CD1-CG 4.14Å; L309-F590 HydrophobicContact CD2-CE2 3.89Å; L309-F590 HydrophobicContact CG-CE2 4.38Å
310	V	97.4	Very high	96.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.1	-41	176.2	171	0	0	0	0	111.7	A306 L308 G314 A362 L365 Y366 F369 F433	A306-V310 VanDerWaalsContact O-CG2 3.31Å; A306-V310 WeakPolarHBondContact O-CG2 3.31Å; A306-V310 PolarHBondContact O-N 2.9Å; L308-V310 VanDerWaalsContact C-N 3.32Å; L308-V310 PolarHBondContact O-N 2.94Å; V310-G314 PolarHBondContact O-N 3.01Å; V310-A362 HydrophobicContact CG1-CB 3.8Å; V310-A362 VanDerWaalsContact CG1-O 3.26Å; V310-A362 WeakPolarHBondContact CG1-O 3.34Å; V310-L365 HydrophobicContact CG2-CB 4.48Å; V310-L365 HydrophobicContact CG2-CD2 4.14Å; V310-L365 HydrophobicContact CG2-CG 4.07Å; V310-Y366 HydrophobicContact CB-CD2 4.41Å; V310-Y366 HydrophobicContact CG1-CD2 4.22Å; V310-Y366 HydrophobicContact CG2-CD2 4.26Å; V310-F369 HydrophobicContact CG2-CD2 3.65Å; V310-F369 HydrophobicContact CG2-CE2 3.66Å; V310-F433 HydrophobicContact CG1-CE2 4.28Å; V310-F433 HydrophobicContact CG1-CZ 4.4Å
311	A	97.4	Very high	96.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-48.9	176.7	0	0	0	0	0	111.7	T307 L308 L309 G314 S315 K380 T381 L384	T307-A311 PolarHBondContact O-N 3.08Å; L308-A311 WeakPolarHBondContact O-CB 3.45Å; L308-A311 PolarHBondContact O-N 3.45Å; L308-A311 VanDerWaalsContact O-N 3.14Å; L309-A311 VanDerWaalsContact C-N 3.3Å; L309-A311 PolarHBondContact O-N 3.35Å; A311-G314 PolarHBondContact O-N 3.32Å; A311-S315 PolarHBondContact O-N 3.38Å; A311-S315 PolarHBondContact O-OG 3.18Å; A311-S315 VanDerWaalsContact O-OG 3.07Å; A311-K380 HydrophobicContact CB-CD 4.31Å; A311-K380 HydrophobicContact CB-CG 3.97Å; A311-T381 WeakPolarHBondContact CA-OG1 3.3Å; A311-L384 HydrophobicContact CB-CD1 4.32Å
312	L	97.9	Very high	96.6	Very high	17 Å²	17	29.2 Å²	29.2	9%	0.089	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-42.8	179.4	-65.2	171.1	0	0	0	112.4	L308 L309 S315 G316 L384 W534 F537 W582 L583	L308-L312 HydrophobicContact CD1-CD1 4.34Å; L308-L312 HydrophobicContact CD1-CG 4.31Å; L308-L312 HydrophobicContact CG-CD1 3.99Å; L308-L312 HydrophobicContact CG-CG 4.37Å; L308-L312 WeakPolarHBondContact O-CG 3.21Å; L308-L312 PolarHBondContact O-N 2.9Å; L309-L312 PolarHBondContact O-N 3.27Å; L312-S315 PolarHBondContact O-N 2.98Å; L312-G316 PolarHBondContact O-N 3.08Å; L312-L384 HydrophobicContact CD2-CD2 3.75Å; L312-W534 HydrophobicContact CD1-CH2 4.02Å; L312-W534 HydrophobicContact CD1-CZ3 3.82Å; L312-F537 HydrophobicContact CB-CE1 4.2Å; L312-F537 HydrophobicContact CB-CE2 4.46Å; L312-F537 HydrophobicContact CB-CZ 3.81Å; L312-F537 HydrophobicContact CD1-CE1 4.28Å; L312-W582 HydrophobicContact CD1-CH2 4.43Å; L312-L583 HydrophobicContact CB-CD2 4.21Å; L312-L583 HydrophobicContact CD2-CD2 3.77Å
313	V	97.8	Very high	96.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.5	-45	175.9	171	0	0	0	0	110.3	L309 G316 I317 L365 F537 T587 F590 Y591	L309-V313 HydrophobicContact CD1-CG2 4Å; L309-V313 HydrophobicContact CG-CG2 4.25Å; L309-V313 WeakPolarHBondContact O-CB 3.46Å; L309-V313 VanDerWaalsContact O-CG2 3.24Å; L309-V313 WeakPolarHBondContact O-CG2 3.45Å; L309-V313 PolarHBondContact O-N 3.31Å; V313-G316 PolarHBondContact O-N 3.16Å; V313-I317 HydrophobicContact CG1-CD1 4.37Å; V313-I317 WeakPolarHBondContact O-CG1 3.19Å; V313-I317 PolarHBondContact O-N 2.94Å; V313-L365 HydrophobicContact CB-CD2 4.43Å; V313-L365 HydrophobicContact CG1-CD2 4.12Å; V313-F537 HydrophobicContact CG2-CD2 3.83Å; V313-F537 HydrophobicContact CG2-CE2 3.96Å; V313-T587 WeakPolarHBondContact CA-OG1 3.46Å; V313-T587 HydrophobicContact CG1-CG2 4.27Å; V313-T587 PolarHBondContact O-OG1 3.45Å; V313-F590 HydrophobicContact CG1-CD1 4.06Å; V313-F590 HydrophobicContact CG1-CE1 4.3Å; V313-F590 HydrophobicContact CG2-CD1 4.02Å; V313-F590 HydrophobicContact CG2-CD2 4.34Å; V313-F590 HydrophobicContact CG2-CE1 4.34Å; V313-F590 HydrophobicContact CG2-CG 4.02Å; V313-Y591 HydrophobicContact CG1-CD2 4.4Å; V313-Y591 HydrophobicContact CG1-CE2 3.57Å
314	G	97.6	Very high	96.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.2	-51	174.7	0	0	0	0	0	112.3	V310 A311 G316 I317 Q318 S358	V310-G314 PolarHBondContact O-N 3.01Å; A311-G314 PolarHBondContact O-N 3.32Å; G314-G316 VanDerWaalsContact C-N 3.27Å; G314-G316 PolarHBondContact O-N 2.84Å; G314-I317 WeakPolarHBondContact O-CB 3.1Å; G314-I317 PolarHBondContact O-N 3.43Å; G314-I317 VanDerWaalsContact O-N 3.1Å; G314-Q318 PolarHBondContact O-N 3.48Å; G314-S358 VanDerWaalsContact C-OG 3.25Å; G314-S358 WeakPolarHBondContact O-CB 3.47Å; G314-S358 PolarHBondContact O-OG 3.47Å
315	S	97.2	Very high	96.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-37.8	175.3	-58.2	0	0	0	0	112.3	A311 L312 Q318 V319 T381	A311-S315 PolarHBondContact O-N 3.38Å; A311-S315 PolarHBondContact O-OG 3.18Å; A311-S315 VanDerWaalsContact O-OG 3.07Å; L312-S315 PolarHBondContact O-N 2.98Å; S315-Q318 VanDerWaalsContact O-CB 3.29Å; S315-Q318 WeakPolarHBondContact O-CB 3.43Å; S315-Q318 PolarHBondContact O-N 2.94Å; S315-V319 WeakPolarHBondContact O-CG2 3.34Å; S315-V319 PolarHBondContact O-N 3.24Å; S315-T381 PolarHBondContact OG-O 3.34Å
316	G	97.7	Very high	96.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.4	-33.8	175.4	0	0	0	0	0	113.6	L312 V313 G314 Q318 V319 F320 L583 T587	L312-G316 PolarHBondContact O-N 3.08Å; V313-G316 PolarHBondContact O-N 3.16Å; G314-G316 VanDerWaalsContact C-N 3.27Å; G314-G316 PolarHBondContact O-N 2.84Å; G316-Q318 VanDerWaalsContact C-N 3.29Å; G316-V319 PolarHBondContact O-N 3.46Å; G316-F320 WeakPolarHBondContact O-CB 3.49Å; G316-F320 PolarHBondContact O-N 3.17Å; G316-L583 WeakPolarHBondContact CA-O 3.43Å; G316-T587 WeakPolarHBondContact CA-OG1 3.2Å
317	I	97.8	Very high	96.7	Very high	18 Å²	18	18.7 Å²	18.7	9%	0.092	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-40.5	170.9	-64.2	168.9	0	0	0	110.1	V313 G314 F320 G321 F357 F361 T587 Y591	V313-I317 HydrophobicContact CG1-CD1 4.37Å; V313-I317 WeakPolarHBondContact O-CG1 3.19Å; V313-I317 PolarHBondContact O-N 2.94Å; G314-I317 WeakPolarHBondContact O-CB 3.1Å; G314-I317 PolarHBondContact O-N 3.43Å; G314-I317 VanDerWaalsContact O-N 3.1Å; I317-F320 PolarHBondContact O-N 2.77Å; I317-G321 PolarHBondContact O-N 2.93Å; I317-F357 HydrophobicContact CG2-CB 4.2Å; I317-F361 HydrophobicContact CD1-CB 3.3Å; I317-F361 HydrophobicContact CD1-CD2 4.24Å; I317-F361 HydrophobicContact CD1-CG 3.99Å; I317-F361 HydrophobicContact CG2-CD2 4.23Å; I317-T587 HydrophobicContact CG1-CG2 3.64Å; I317-Y591 HydrophobicContact CD1-CE2 3.66Å; I317-Y591 HydrophobicContact CG1-CE2 3.96Å
318	Q	97.5	Very high	96.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.6	-50.8	178	-161.3	165	-7.9	0	0	111.9	G314 S315 G316 G321 M322 Y351 M354 S358 D425	G314-Q318 PolarHBondContact O-N 3.48Å; S315-Q318 VanDerWaalsContact O-CB 3.29Å; S315-Q318 WeakPolarHBondContact O-CB 3.43Å; S315-Q318 PolarHBondContact O-N 2.94Å; G316-Q318 VanDerWaalsContact C-N 3.29Å; Q318-G321 PolarHBondContact O-N 2.95Å; Q318-M322 WeakPolarHBondContact O-CB 3.3Å; Q318-M322 PolarHBondContact O-N 2.96Å; Q318-Y351 HydrophobicContact CB-CE2 4.29Å; Q318-Y351 HydrophobicContact CG-CD2 4.01Å; Q318-Y351 HydrophobicContact CG-CE2 3.76Å; Q318-Y351 WeakPolarHBondContact CG-O 3.14Å; Q318-Y351 PolarHBondContact NE2-O 3.01Å; Q318-M354 HydrophobicContact CG-CB 4.13Å; Q318-S358 PolarHBondContact OE1-OG 3.24Å; Q318-D425 PolarHBondContact NE2-OD1 3.49Å
319	V	97.7	Very high	96.3	Very high	8 Å²	8	18.7 Å²	18.7	5%	0.048	11%	0.105	C	C	.	.	H	α-helix	trans	-63.6	-43.1	177.2	179.1	0	0	0	0	110.3	S315 G316 G321 M322 T323 Y351 L385 L584	S315-V319 WeakPolarHBondContact O-CG2 3.34Å; S315-V319 PolarHBondContact O-N 3.24Å; G316-V319 PolarHBondContact O-N 3.46Å; V319-G321 PolarHBondContact O-N 3.37Å; V319-M322 HydrophobicContact CG1-CE 4.24Å; V319-M322 PolarHBondContact O-N 2.98Å; V319-T323 WeakPolarHBondContact O-CB 3.36Å; V319-T323 PolarHBondContact O-N 2.72Å; V319-T323 PolarHBondContact O-OG1 3.48Å; V319-Y351 HydrophobicContact CG2-CE2 4.01Å; V319-L385 HydrophobicContact CG2-CD2 3.48Å; V319-L385 VanDerWaalsContact CG2-CD2 3.48Å; V319-L584 HydrophobicContact CG1-CB 4.13Å; V319-L584 HydrophobicContact CG1-CD1 4.16Å
320	F	97.9	Very high	95.8	Very high	53 Å²	53	19 Å²	19	23%	0.232	11%	0.107	C	C	.	.	H	α-helix	trans	-57.7	-50	176.2	178	-94.6	0	0	0	112.3	G316 I317 T323 L324 F506 V510 L584 V588	G316-F320 WeakPolarHBondContact O-CB 3.49Å; G316-F320 PolarHBondContact O-N 3.17Å; I317-F320 PolarHBondContact O-N 2.77Å; F320-T323 PolarHBondContact O-N 2.82Å; F320-L324 HydrophobicContact CE1-CD2 3.99Å; F320-L324 HydrophobicContact CZ-CD2 4.25Å; F320-L324 VanDerWaalsContact O-CB 3.26Å; F320-L324 WeakPolarHBondContact O-CB 3.26Å; F320-L324 PolarHBondContact O-N 2.97Å; F320-F506 HydrophobicContact CD2-CE1 4.49Å; F320-F506 AromaticContact CD2-CZ 3.86Å; F320-F506 HydrophobicContact CD2-CZ 3.86Å; F320-F506 AromaticContact CE2-CE1 3.9Å; F320-F506 HydrophobicContact CE2-CE1 3.9Å; F320-F506 AromaticContact CE2-CZ 3.68Å; F320-F506 HydrophobicContact CE2-CZ 3.68Å; F320-F506 HydrophobicContact CZ-CE1 4.37Å; F320-V510 HydrophobicContact CE2-CG2 3.62Å; F320-V510 HydrophobicContact CZ-CG2 4.32Å; F320-L584 HydrophobicContact CB-CD1 4.5Å; F320-L584 HydrophobicContact CB-CG 4.14Å; F320-L584 HydrophobicContact CD2-CD2 4.14Å; F320-L584 HydrophobicContact CD2-CG 4.1Å; F320-V588 HydrophobicContact CD2-CG2 3.91Å; F320-V588 HydrophobicContact CE2-CG2 3.99Å
321	G	97.2	Very high	95.3	Very high	11 Å²	11	21 Å²	21	11%	0.113	12%	0.124	C	C	.	.	H	α-helix	trans	-62.8	-43.5	178.6	0	0	0	0	0	112.1	I317 Q318 V319 S325	I317-G321 PolarHBondContact O-N 2.93Å; Q318-G321 PolarHBondContact O-N 2.95Å; V319-G321 PolarHBondContact O-N 3.37Å; G321-S325 WeakPolarHBondContact O-CB 3.36Å; G321-S325 PolarHBondContact O-N 3.3Å; G321-S325 PolarHBondContact O-OG 3.19Å
322	M	96.7	Very high	94.8	Very high	36 Å²	36	25.7 Å²	25.7	18%	0.177	15%	0.148	C	C	.	.	H	α-helix	trans	-59.5	-51.7	176	176.8	-153.7	67.8	0	0	111	Q318 V319 T326 A347 L350 Y351	Q318-M322 WeakPolarHBondContact O-CB 3.3Å; Q318-M322 PolarHBondContact O-N 2.96Å; V319-M322 HydrophobicContact CG1-CE 4.24Å; V319-M322 PolarHBondContact O-N 2.98Å; M322-T326 VanDerWaalsContact O-CB 3.25Å; M322-T326 WeakPolarHBondContact O-CB 3.44Å; M322-T326 PolarHBondContact O-N 3.4Å; M322-T326 PolarHBondContact O-OG1 2.92Å; M322-A347 VanDerWaalsContact CG-O 3.32Å; M322-A347 WeakPolarHBondContact CG-O 3.11Å; M322-L350 HydrophobicContact CG-CB 4.37Å; M322-Y351 HydrophobicContact CB-CD2 4.41Å; M322-Y351 HydrophobicContact CG-CD2 4.5Å; M322-Y351 HydrophobicContact SD-CD2 3.76Å; M322-Y351 HydrophobicContact SD-CG 4.16Å
323	T	96	Very high	93.9	Very high	33 Å²	33	25.8 Å²	25.8	20%	0.202	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-48.3	-178.7	-62.4	0	0	0	0	111	V319 F320 T326 I327 F506 L584	V319-T323 WeakPolarHBondContact O-CB 3.36Å; V319-T323 PolarHBondContact O-N 2.72Å; V319-T323 PolarHBondContact O-OG1 3.48Å; F320-T323 PolarHBondContact O-N 2.82Å; T323-T326 PolarHBondContact O-N 2.82Å; T323-I327 HydrophobicContact CG2-CD1 3.57Å; T323-I327 HydrophobicContact CG2-CG1 4.35Å; T323-I327 WeakPolarHBondContact O-CB 3.42Å; T323-I327 WeakPolarHBondContact O-CG1 3.02Å; T323-I327 PolarHBondContact O-N 3.04Å; T323-F506 HydrophobicContact CG2-CD2 4.11Å; T323-F506 HydrophobicContact CG2-CE2 3.6Å; T323-F506 HydrophobicContact CG2-CZ 4.05Å; T323-L584 HydrophobicContact CG2-CD1 4.1Å
324	L	96.1	Very high	93.1	Very high	53 Å²	53	31.1 Å²	31.1	28%	0.277	18%	0.179	S	C	.	.	H	α-helix	trans	-58.8	-51.9	178.7	176.6	62.8	0	0	0	111.3	F320 T326 I327 V328 F503 F506	F320-L324 HydrophobicContact CE1-CD2 3.99Å; F320-L324 HydrophobicContact CZ-CD2 4.25Å; F320-L324 VanDerWaalsContact O-CB 3.26Å; F320-L324 WeakPolarHBondContact O-CB 3.26Å; F320-L324 PolarHBondContact O-N 2.97Å; L324-T326 PolarHBondContact O-N 3.34Å; L324-I327 PolarHBondContact O-N 3Å; L324-V328 HydrophobicContact CD1-CG2 4.2Å; L324-V328 VanDerWaalsContact O-CG2 3.26Å; L324-V328 WeakPolarHBondContact O-CG2 3.35Å; L324-V328 PolarHBondContact O-N 3.43Å; L324-F503 HydrophobicContact CD1-CE2 3.93Å; L324-F506 HydrophobicContact CB-CE1 3.96Å; L324-F506 HydrophobicContact CB-CZ 4.47Å; L324-F506 HydrophobicContact CD1-CD1 4.14Å; L324-F506 HydrophobicContact CD1-CE1 3.88Å; L324-F506 HydrophobicContact CG-CE1 4.48Å
325	S	94.9	Very high	92.3	Very high	37 Å²	37	31.7 Å²	31.7	26%	0.259	18%	0.182	S	C	.	.	H	α-helix	trans	-65.5	-38.8	-178.9	-66.6	0	0	0	0	112.5	G321 V328 L329 M354	G321-S325 WeakPolarHBondContact O-CB 3.36Å; G321-S325 PolarHBondContact O-N 3.3Å; G321-S325 PolarHBondContact O-OG 3.19Å; S325-V328 PolarHBondContact O-N 2.83Å; S325-L329 VanDerWaalsContact O-CG 3.3Å; S325-L329 WeakPolarHBondContact O-CG 3.28Å; S325-L329 PolarHBondContact O-N 3.41Å; S325-M354 WeakPolarHBondContact OG-CE 3.41Å
326	T	93.7	Very high	91.2	Very high	13 Å²	13	32 Å²	32	8%	0.08	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-45.3	176.7	-56	0	0	0	0	110.9	M322 T323 L324 L329 A330 L335 L343 A347 L350	M322-T326 VanDerWaalsContact O-CB 3.25Å; M322-T326 WeakPolarHBondContact O-CB 3.44Å; M322-T326 PolarHBondContact O-N 3.4Å; M322-T326 PolarHBondContact O-OG1 2.92Å; T323-T326 PolarHBondContact O-N 2.82Å; L324-T326 PolarHBondContact O-N 3.34Å; T326-L329 PolarHBondContact O-N 3.05Å; T326-A330 VanDerWaalsContact O-CB 3.3Å; T326-A330 WeakPolarHBondContact O-CB 3.47Å; T326-A330 PolarHBondContact O-N 3.48Å; T326-L335 HydrophobicContact CG2-CD1 4.01Å; T326-L343 HydrophobicContact CG2-CG 4.47Å; T326-A347 HydrophobicContact CG2-CB 4.26Å; T326-L350 WeakPolarHBondContact OG1-CD1 2.99Å
327	I	92.5	Very high	90	Very high	15 Å²	15	33.4 Å²	33.4	8%	0.077	19%	0.193	C	C	.	.	H	α-helix	trans	-65.1	-40.8	178.7	-67	169.7	0	0	0	110.8	T323 L324 A330 A331 L502 F503 F506	T323-I327 HydrophobicContact CG2-CD1 3.57Å; T323-I327 HydrophobicContact CG2-CG1 4.35Å; T323-I327 WeakPolarHBondContact O-CB 3.42Å; T323-I327 WeakPolarHBondContact O-CG1 3.02Å; T323-I327 PolarHBondContact O-N 3.04Å; L324-I327 PolarHBondContact O-N 3Å; I327-A330 PolarHBondContact O-N 3.39Å; I327-A331 VanDerWaalsContact O-CB 3.31Å; I327-A331 WeakPolarHBondContact O-CB 3.33Å; I327-A331 PolarHBondContact O-N 3.21Å; I327-L502 HydrophobicContact CD1-CD2 4.32Å; I327-L502 HydrophobicContact CD1-CG 4.21Å; I327-L502 HydrophobicContact CG1-CD2 4.09Å; I327-L502 HydrophobicContact CG1-CG 4.39Å; I327-L502 HydrophobicContact CG2-CG 4.43Å; I327-F503 HydrophobicContact CG2-CB 3.6Å; I327-F503 HydrophobicContact CG2-CD2 3.87Å; I327-F503 HydrophobicContact CG2-CG 4.24Å; I327-F506 HydrophobicContact CD1-CB 4.05Å; I327-F506 HydrophobicContact CD1-CD1 4.48Å; I327-F506 HydrophobicContact CD1-CD2 3.99Å; I327-F506 HydrophobicContact CD1-CG 3.91Å
328	V	92.2	Very high	88.8	Confident	52 Å²	52	33.1 Å²	33.1	32%	0.315	19%	0.193	S	C	.	.	H	α-helix	trans	-62.6	-47.5	177.4	169	0	0	0	0	111.3	L324 S325 A330 A331 I332 F503	L324-V328 HydrophobicContact CD1-CG2 4.2Å; L324-V328 VanDerWaalsContact O-CG2 3.26Å; L324-V328 WeakPolarHBondContact O-CG2 3.35Å; L324-V328 PolarHBondContact O-N 3.43Å; S325-V328 PolarHBondContact O-N 2.83Å; V328-A330 VanDerWaalsContact C-N 3.26Å; V328-A330 PolarHBondContact O-N 2.78Å; V328-A331 PolarHBondContact O-N 3.41Å; V328-I332 HydrophobicContact CG1-CD1 3.97Å; V328-I332 WeakPolarHBondContact O-CG1 3.21Å; V328-I332 PolarHBondContact O-N 3.48Å; V328-F503 HydrophobicContact CG2-CD2 3.93Å; V328-F503 HydrophobicContact CG2-CE2 3.48Å; V328-F503 VanDerWaalsContact CG2-CE2 3.48Å; V328-F503 HydrophobicContact CG2-CZ 4.25Å
329	L	91.2	Very high	87.9	Confident	47 Å²	47	34.6 Å²	34.6	25%	0.246	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-34.8	176.8	-68.6	173.2	0	0	0	112	S325 T326 G333 M334 L335 T346 L350	S325-L329 VanDerWaalsContact O-CG 3.3Å; S325-L329 WeakPolarHBondContact O-CG 3.28Å; S325-L329 PolarHBondContact O-N 3.41Å; T326-L329 PolarHBondContact O-N 3.05Å; L329-G333 PolarHBondContact O-N 3.25Å; L329-M334 HydrophobicContact CD2-SD 3.85Å; L329-M334 PolarHBondContact O-N 3.44Å; L329-M334 VanDerWaalsContact O-N 3.11Å; L329-L335 HydrophobicContact CB-CD1 3.78Å; L329-L335 HydrophobicContact CB-CG 4.09Å; L329-T346 HydrophobicContact CD1-CG2 4.04Å; L329-L350 HydrophobicContact CD1-CD1 3.97Å
330	A	88.4	Confident	87	Confident	5 Å²	5	35.6 Å²	35.6	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-70	-39.3	174.4	0	0	0	0	0	112.3	T326 I327 V328 I332 G333 L335 F499	T326-A330 VanDerWaalsContact O-CB 3.3Å; T326-A330 WeakPolarHBondContact O-CB 3.47Å; T326-A330 PolarHBondContact O-N 3.48Å; I327-A330 PolarHBondContact O-N 3.39Å; V328-A330 VanDerWaalsContact C-N 3.26Å; V328-A330 PolarHBondContact O-N 2.78Å; A330-I332 VanDerWaalsContact C-N 3.34Å; A330-I332 PolarHBondContact O-N 2.93Å; A330-G333 WeakPolarHBondContact O-CA 3.48Å; A330-G333 PolarHBondContact O-N 3.01Å; A330-L335 HydrophobicContact CB-CB 4.09Å; A330-L335 HydrophobicContact CB-CD1 4.35Å; A330-F499 HydrophobicContact CB-CB 3.86Å; A330-F499 HydrophobicContact CB-CD1 3.55Å; A330-F499 HydrophobicContact CB-CD2 4.03Å; A330-F499 HydrophobicContact CB-CE1 4.05Å; A330-F499 HydrophobicContact CB-CE2 4.48Å; A330-F499 HydrophobicContact CB-CG 3.54Å; A330-F499 HydrophobicContact CB-CZ 4.49Å
331	A	86.6	Confident	86.4	Confident	42 Å²	42	33 Å²	33	35%	0.347	20%	0.195	S	C	.	.	H	α-helix	trans	-67.1	-32.3	177.7	0	0	0	0	0	112.8	I327 V328 G333 F503	I327-A331 VanDerWaalsContact O-CB 3.31Å; I327-A331 WeakPolarHBondContact O-CB 3.33Å; I327-A331 PolarHBondContact O-N 3.21Å; V328-A331 PolarHBondContact O-N 3.41Å; A331-G333 PolarHBondContact O-N 3.47Å; A331-F503 HydrophobicContact CB-CB 4.35Å
332	I	86.3	Confident	85.9	Confident	100 Å²	100	33.5 Å²	33.5	51%	0.513	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.6	171.9	-63.8	164.9	0	0	0	111.6	V328 A330 M334	V328-I332 HydrophobicContact CG1-CD1 3.97Å; V328-I332 WeakPolarHBondContact O-CG1 3.21Å; V328-I332 PolarHBondContact O-N 3.48Å; A330-I332 VanDerWaalsContact C-N 3.34Å; A330-I332 PolarHBondContact O-N 2.93Å; I332-M334 HydrophobicContact CG2-CG 4.17Å
333	G	79.1	Confident	85.5	Confident	18 Å²	18	34.3 Å²	34.3	19%	0.186	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	1.5	-179.9	0	0	0	0	0	114.8	L329 A330 A331 L335	L329-G333 PolarHBondContact O-N 3.25Å; A330-G333 WeakPolarHBondContact O-CA 3.48Å; A330-G333 PolarHBondContact O-N 3.01Å; A331-G333 PolarHBondContact O-N 3.47Å; G333-L335 VanDerWaalsContact C-N 3.3Å; G333-L335 PolarHBondContact O-N 3.31Å
334	M	79.8	Confident	85.2	Confident	112 Å²	112	36.4 Å²	36.4	55%	0.552	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-27.9	179.5	-65	-177.9	68.8	0	0	113.1	L329 I332	L329-M334 HydrophobicContact CD2-SD 3.85Å; L329-M334 PolarHBondContact O-N 3.44Å; L329-M334 VanDerWaalsContact O-N 3.11Å; I332-M334 HydrophobicContact CG2-CG 4.17Å
335	L	82	Confident	85	Confident	12 Å²	12	35.1 Å²	35.1	6%	0.063	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	50.7	179.8	-58.2	175.5	0	0	0	111.4	T326 L329 A330 G333 A342 T346	T326-L335 HydrophobicContact CG2-CD1 4.01Å; L329-L335 HydrophobicContact CB-CD1 3.78Å; L329-L335 HydrophobicContact CB-CG 4.09Å; A330-L335 HydrophobicContact CB-CB 4.09Å; A330-L335 HydrophobicContact CB-CD1 4.35Å; G333-L335 VanDerWaalsContact C-N 3.3Å; G333-L335 PolarHBondContact O-N 3.31Å; L335-A342 HydrophobicContact CD2-CB 4.35Å; L335-T346 HydrophobicContact CD1-CG2 3.94Å; L335-T346 HydrophobicContact CD2-CG2 4Å; L335-T346 WeakPolarHBondContact CD2-OG1 3.34Å
336	S	73.2	Confident	84.9	Confident	8 Å²	8	35.1 Å²	35.1	6%	0.056	21%	0.205	C	C	.	.			trans	-71.4	156.5	-179.3	73.4	0	0	0	0	112.5	Y22 S338 S339	Y22-S336 VanDerWaalsContact OH-CB 3.22Å; Y22-S336 WeakPolarHBondContact OH-CB 3.13Å; Y22-S336 PolarHBondContact OH-OG 3.05Å; S336-S338 PolarHBondContact O-N 2.8Å; S336-S338 WeakPolarHBondContact OG-CB 3.4Å; S336-S339 PolarHBondContact O-N 2.78Å; S336-S339 VanDerWaalsContact O-N 3.13Å
337	P	73.3	Confident	84.9	Confident	28 Å²	28	35.1 Å²	35.1	18%	0.182	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-19.7	173.5	-26.3	35.5	0	0	0	114.7	W232 L236 F495	W232-P337 HydrophobicContact CH2-CB 4.43Å; W232-P337 HydrophobicContact CZ3-CB 4.14Å; L236-P337 HydrophobicContact CD2-CG 4.44Å; P337-F495 HydrophobicContact CB-CD1 4.41Å
338	S	72.7	Confident	84.9	Confident	12 Å²	12	35.9 Å²	35.9	8%	0.084	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-41.2	175.8	-170.4	0	0	0	0	112.2	Y22 W232 S336 R340	Y22-S338 WeakPolarHBondContact OH-CB 3.41Å; W232-S338 VanDerWaalsContact NE1-CB 3.34Å; W232-S338 PolarHBondContact NE1-OG 3.49Å; S336-S338 PolarHBondContact O-N 2.8Å; S336-S338 WeakPolarHBondContact OG-CB 3.4Å; S338-R340 PolarHBondContact O-N 3.24Å
339	S	77.8	Confident	85	Confident	31 Å²	31	39.3 Å²	39.3	22%	0.217	22%	0.221	C	C	.	.	S	Bend	trans	-83	82.3	172.8	-62.2	0	0	0	0	110	S336 G341 A342	S336-S339 PolarHBondContact O-N 2.78Å; S336-S339 VanDerWaalsContact O-N 3.13Å; S339-G341 PolarHBondContact O-N 2.75Å; S339-A342 WeakPolarHBondContact O-CB 3.44Å; S339-A342 PolarHBondContact O-N 3.49Å
340	R	79.5	Confident	85.1	Confident	29 Å²	29	38.1 Å²	38.1	11%	0.109	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	134	-177.8	-66.4	179.5	-63.8	163.4	4.1	111.9	N73 E76 I83 S338 A342	N73-R340 PolarHBondContact ND2-O 2.84Å; E76-R340 HydrophobicContact CG-CB 4.19Å; E76-R340 WeakPolarHBondContact OE1-CB 3Å; E76-R340 IonicContact OE1-CZ 3.52Å; E76-R340 IonicContact OE1-NE 3.3Å; E76-R340 IonicContact OE1-NH2 2.65Å; I83-R340 VanDerWaalsContact CD1-CZ 3.46Å; I83-R340 VanDerWaalsContact CD1-NH2 3.28Å; S338-R340 PolarHBondContact O-N 3.24Å; R340-A342 PolarHBondContact O-N 3.01Å
341	G	85.1	Confident	85.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-5.7	-178.9	0	0	0	0	0	115.9	N73 G75 S339 L343 M344 S345	N73-G341 WeakPolarHBondContact OD1-CA 3.48Å; G75-G341 WeakPolarHBondContact CA-O 3.38Å; S339-G341 PolarHBondContact O-N 2.75Å; G341-L343 PolarHBondContact O-N 3.46Å; G341-M344 PolarHBondContact O-N 3.2Å; G341-S345 WeakPolarHBondContact O-CB 3.45Å; G341-S345 PolarHBondContact O-N 3.38Å; G341-S345 PolarHBondContact O-OG 2.9Å
342	A	87.6	Confident	85.9	Confident	21 Å²	21	36.6 Å²	36.6	17%	0.174	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-40.3	-177	0	0	0	0	0	112.5	L335 S339 R340 M344 S345 T346	L335-A342 HydrophobicContact CD2-CB 4.35Å; S339-A342 WeakPolarHBondContact O-CB 3.44Å; S339-A342 PolarHBondContact O-N 3.49Å; R340-A342 PolarHBondContact O-N 3.01Å; A342-M344 PolarHBondContact O-N 3.09Å; A342-S345 PolarHBondContact O-N 3.35Å; A342-T346 WeakPolarHBondContact O-CB 3.47Å; A342-T346 PolarHBondContact O-N 2.91Å; A342-T346 PolarHBondContact O-OG1 3.42Å
343	L	88.3	Confident	86.3	Confident	52 Å²	52	36.6 Å²	36.6	27%	0.272	20%	0.196	S	C	.	.	H	α-helix	trans	-56.5	-49.1	177.7	-173.3	159.4	0	0	0	111.5	T326 G341 A347 F499	T326-L343 HydrophobicContact CG2-CG 4.47Å; G341-L343 PolarHBondContact O-N 3.46Å; L343-A347 WeakPolarHBondContact O-CB 3.42Å; L343-A347 PolarHBondContact O-N 3.29Å; L343-F499 HydrophobicContact CD1-CE1 3.72Å; L343-F499 HydrophobicContact CD1-CZ 3.63Å
344	M	90	Very high	87.2	Confident	77 Å²	77	36.5 Å²	36.5	38%	0.379	19%	0.191	S	C	.	.	H	α-helix	trans	-69.7	-43.2	-178.5	-171.2	67.5	80.2	0	0	111.7	F78 G341 A342 T346 A347 L348	F78-M344 HydrophobicContact CB-CG 4.35Å; F78-M344 HydrophobicContact CD2-CG 4.38Å; G341-M344 PolarHBondContact O-N 3.2Å; A342-M344 PolarHBondContact O-N 3.09Å; M344-T346 PolarHBondContact O-N 3.3Å; M344-A347 PolarHBondContact O-N 3.37Å; M344-L348 HydrophobicContact CG-CD1 4.47Å; M344-L348 WeakPolarHBondContact O-CG 3.28Å; M344-L348 PolarHBondContact O-N 3.26Å
345	S	90.9	Very high	87.9	Confident	27 Å²	27	31.2 Å²	31.2	19%	0.189	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-45.5	177.3	-56.3	0	0	0	0	111.6	N73 G75 G341 A342 L348 F349	N73-S345 PolarHBondContact OD1-OG 3.07Å; G75-S345 WeakPolarHBondContact CA-OG 3.36Å; G75-S345 PolarHBondContact N-OG 3.13Å; G341-S345 WeakPolarHBondContact O-CB 3.45Å; G341-S345 PolarHBondContact O-N 3.38Å; G341-S345 PolarHBondContact O-OG 2.9Å; A342-S345 PolarHBondContact O-N 3.35Å; S345-L348 PolarHBondContact O-N 2.93Å; S345-F349 PolarHBondContact O-N 2.94Å
346	T	92.3	Very high	88.6	Confident	36 Å²	36	33.8 Å²	33.8	22%	0.221	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-41.5	178	-62.5	0	0	0	0	111.3	L329 L335 A342 M344 L348 F349 L350	L329-T346 HydrophobicContact CD1-CG2 4.04Å; L335-T346 HydrophobicContact CD1-CG2 3.94Å; L335-T346 HydrophobicContact CD2-CG2 4Å; L335-T346 WeakPolarHBondContact CD2-OG1 3.34Å; A342-T346 WeakPolarHBondContact O-CB 3.47Å; A342-T346 PolarHBondContact O-N 2.91Å; A342-T346 PolarHBondContact O-OG1 3.42Å; M344-T346 PolarHBondContact O-N 3.3Å; T346-L348 PolarHBondContact O-N 3.45Å; T346-F349 PolarHBondContact O-N 3.44Å; T346-L350 HydrophobicContact CG2-CD1 3.65Å; T346-L350 HydrophobicContact CG2-CG 4.06Å; T346-L350 VanDerWaalsContact O-CB 3.3Å; T346-L350 WeakPolarHBondContact O-CB 3.45Å; T346-L350 VanDerWaalsContact O-CG 3.25Å; T346-L350 WeakPolarHBondContact O-CG 3.31Å; T346-L350 PolarHBondContact O-N 3.22Å
347	A	94	Very high	89.8	Confident	14 Å²	14	37.7 Å²	37.7	12%	0.116	20%	0.195	C	C	.	.	H	α-helix	trans	-59.5	-44.4	175.6	0	0	0	0	0	111.9	M322 T326 L343 M344 L350 Y351	M322-A347 VanDerWaalsContact CG-O 3.32Å; M322-A347 WeakPolarHBondContact CG-O 3.11Å; T326-A347 HydrophobicContact CG2-CB 4.26Å; L343-A347 WeakPolarHBondContact O-CB 3.42Å; L343-A347 PolarHBondContact O-N 3.29Å; M344-A347 PolarHBondContact O-N 3.37Å; A347-L350 PolarHBondContact O-N 2.91Å; A347-Y351 WeakPolarHBondContact O-CB 3.3Å; A347-Y351 PolarHBondContact O-N 2.93Å
348	L	93.2	Very high	90.9	Very high	31 Å²	31	36.4 Å²	36.4	16%	0.162	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-43.8	177	-71.1	167.5	0	0	0	112.5	F78 M344 S345 T346 Y351 C352 L417 M420	F78-L348 HydrophobicContact CD2-CD1 3.86Å; F78-L348 HydrophobicContact CE2-CD1 3.28Å; F78-L348 HydrophobicContact CZ-CD1 4.01Å; M344-L348 HydrophobicContact CG-CD1 4.47Å; M344-L348 WeakPolarHBondContact O-CG 3.28Å; M344-L348 PolarHBondContact O-N 3.26Å; S345-L348 PolarHBondContact O-N 2.93Å; T346-L348 PolarHBondContact O-N 3.45Å; L348-Y351 WeakPolarHBondContact O-CB 3.23Å; L348-Y351 PolarHBondContact O-N 3.14Å; L348-C352 PolarHBondContact O-N 3.42Å; L348-C352 PolarHBondContact O-SG 2.89Å; L348-C352 VanDerWaalsContact O-SG 3.41Å; L348-L417 HydrophobicContact CD1-CD2 4.33Å; L348-M420 WeakPolarHBondContact O-CE 3.46Å
349	F	93	Very high	92.1	Very high	123 Å²	123	35.8 Å²	35.8	54%	0.539	18%	0.182	S	C	.	.	H	α-helix	trans	-64.6	-46.4	177.1	-178.1	-96.9	0	0	0	112.1	S345 T346 Y351 C352 F353 M420	S345-F349 PolarHBondContact O-N 2.94Å; T346-F349 PolarHBondContact O-N 3.44Å; F349-Y351 VanDerWaalsContact C-N 3.3Å; F349-Y351 PolarHBondContact O-N 2.92Å; F349-C352 PolarHBondContact O-N 3.48Å; F349-F353 PolarHBondContact O-N 3.23Å; F349-M420 VanDerWaalsContact CA-CE 3.48Å; F349-M420 HydrophobicContact CB-CE 4.2Å; F349-M420 HydrophobicContact CD2-CE 4.27Å
350	L	95.1	Very high	93.1	Very high	22 Å²	22	37.7 Å²	37.7	12%	0.115	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-36.4	176.5	-72.7	174.6	0	0	0	111.8	M322 T326 L329 T346 A347 C352 F353 M354	M322-L350 HydrophobicContact CG-CB 4.37Å; T326-L350 WeakPolarHBondContact OG1-CD1 2.99Å; L329-L350 HydrophobicContact CD1-CD1 3.97Å; T346-L350 HydrophobicContact CG2-CD1 3.65Å; T346-L350 HydrophobicContact CG2-CG 4.06Å; T346-L350 VanDerWaalsContact O-CB 3.3Å; T346-L350 WeakPolarHBondContact O-CB 3.45Å; T346-L350 VanDerWaalsContact O-CG 3.25Å; T346-L350 WeakPolarHBondContact O-CG 3.31Å; T346-L350 PolarHBondContact O-N 3.22Å; A347-L350 PolarHBondContact O-N 2.91Å; L350-C352 VanDerWaalsContact C-N 3.34Å; L350-C352 PolarHBondContact O-N 2.7Å; L350-F353 PolarHBondContact O-N 3.12Å; L350-M354 VanDerWaalsContact O-CB 3.3Å; L350-M354 WeakPolarHBondContact O-CB 3.26Å; L350-M354 WeakPolarHBondContact O-CG 2.99Å; L350-M354 PolarHBondContact O-N 3.12Å
351	Y	96.4	Very high	93.9	Very high	14 Å²	14	39.4 Å²	39.4	6%	0.055	19%	0.193	C	C	.	.	H	α-helix	trans	-56.8	-49.4	174.8	-178.2	-95.8	0	0	0	111.7	Q318 V319 M322 A347 L348 F349 M354 G355 L385 P386 F421	Q318-Y351 HydrophobicContact CB-CE2 4.29Å; Q318-Y351 HydrophobicContact CG-CD2 4.01Å; Q318-Y351 HydrophobicContact CG-CE2 3.76Å; Q318-Y351 WeakPolarHBondContact CG-O 3.14Å; Q318-Y351 PolarHBondContact NE2-O 3.01Å; V319-Y351 HydrophobicContact CG2-CE2 4.01Å; M322-Y351 HydrophobicContact CB-CD2 4.41Å; M322-Y351 HydrophobicContact CG-CD2 4.5Å; M322-Y351 HydrophobicContact SD-CD2 3.76Å; M322-Y351 HydrophobicContact SD-CG 4.16Å; A347-Y351 WeakPolarHBondContact O-CB 3.3Å; A347-Y351 PolarHBondContact O-N 2.93Å; L348-Y351 WeakPolarHBondContact O-CB 3.23Å; L348-Y351 PolarHBondContact O-N 3.14Å; F349-Y351 VanDerWaalsContact C-N 3.3Å; F349-Y351 PolarHBondContact O-N 2.92Å; Y351-M354 PolarHBondContact O-N 2.83Å; Y351-G355 PolarHBondContact O-N 3.14Å; Y351-L385 HydrophobicContact CE2-CD2 4.37Å; Y351-P386 HydrophobicContact CE1-CB 4.31Å; Y351-F421 AromaticContact CD1-CE1 3.95Å; Y351-F421 HydrophobicContact CD1-CE1 3.95Å; Y351-F421 HydrophobicContact CE1-CE1 4Å
352	C	95.1	Very high	94.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-42.1	179.6	-62.7	0	0	0	0	111.2	L348 F349 L350 M354 G355 M420 I424 D425 L428	L348-C352 PolarHBondContact O-N 3.42Å; L348-C352 PolarHBondContact O-SG 2.89Å; L348-C352 VanDerWaalsContact O-SG 3.41Å; F349-C352 PolarHBondContact O-N 3.48Å; L350-C352 VanDerWaalsContact C-N 3.34Å; L350-C352 PolarHBondContact O-N 2.7Å; C352-M354 PolarHBondContact O-N 3.13Å; C352-G355 PolarHBondContact O-N 3.48Å; C352-G355 VanDerWaalsContact O-N 3.13Å; C352-M420 HydrophobicContact CB-CE 4.12Å; C352-M420 VanDerWaalsContact SG-CE 3.53Å; C352-I424 HydrophobicContact CB-CG2 4.07Å; C352-D425 HydrophobicContact CB-CB 4.25Å; C352-L428 VanDerWaalsContact O-CD2 3.31Å; C352-L428 WeakPolarHBondContact O-CD2 3.45Å
353	F	94.6	Very high	95	Very high	101 Å²	101	38.4 Å²	38.4	44%	0.443	19%	0.185	S	C	.	.	H	α-helix	trans	-65.3	-37.7	177.4	-174.2	-100.8	0	0	0	112.8	F349 L350 G355 L356 L428	F349-F353 PolarHBondContact O-N 3.23Å; L350-F353 PolarHBondContact O-N 3.12Å; F353-G355 PolarHBondContact O-N 3.3Å; F353-G355 VanDerWaalsContact O-N 3.12Å; F353-L356 WeakPolarHBondContact O-CB 3.47Å; F353-L356 PolarHBondContact O-N 3.21Å; F353-L356 VanDerWaalsContact O-N 3.12Å; F353-L428 WeakPolarHBondContact O-CD2 3.45Å
354	M	96.6	Very high	95.3	Very high	16 Å²	16	38.7 Å²	38.7	8%	0.079	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-8.3	176.3	-67.5	-68.1	166	0	0	113	Q318 S325 L350 Y351 C352 L356 F357 S358	Q318-M354 HydrophobicContact CG-CB 4.13Å; S325-M354 WeakPolarHBondContact OG-CE 3.41Å; L350-M354 VanDerWaalsContact O-CB 3.3Å; L350-M354 WeakPolarHBondContact O-CB 3.26Å; L350-M354 WeakPolarHBondContact O-CG 2.99Å; L350-M354 PolarHBondContact O-N 3.12Å; Y351-M354 PolarHBondContact O-N 2.83Å; C352-M354 PolarHBondContact O-N 3.13Å; M354-L356 PolarHBondContact O-N 2.98Å; M354-F357 PolarHBondContact O-N 3.37Å; M354-F357 VanDerWaalsContact O-N 3.14Å; M354-F357 HydrophobicContact SD-CD2 3.66Å; M354-F357 HydrophobicContact SD-CE2 4.05Å; M354-S358 PolarHBondContact O-N 3.05Å
355	G	96.3	Very high	95.6	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-53.5	-30.4	165.3	0	0	0	0	0	113.2	Y351 C352 F353 G359 V429	Y351-G355 PolarHBondContact O-N 3.14Å; C352-G355 PolarHBondContact O-N 3.48Å; C352-G355 VanDerWaalsContact O-N 3.13Å; F353-G355 PolarHBondContact O-N 3.3Å; F353-G355 VanDerWaalsContact O-N 3.12Å; G355-G359 PolarHBondContact O-N 2.99Å; G355-V429 WeakPolarHBondContact O-CG2 3.42Å
356	L	96.7	Very high	95.9	Very high	67 Å²	67	34 Å²	34	35%	0.351	16%	0.157	S	C	.	.	H	α-helix	trans	-59.7	-49.6	173.8	-178.8	72.3	0	0	0	111.8	F353 M354 Y360 L428 A432	F353-L356 WeakPolarHBondContact O-CB 3.47Å; F353-L356 PolarHBondContact O-N 3.21Å; F353-L356 VanDerWaalsContact O-N 3.12Å; M354-L356 PolarHBondContact O-N 2.98Å; L356-Y360 WeakPolarHBondContact O-CB 3.14Å; L356-Y360 PolarHBondContact O-N 3.45Å; L356-Y360 VanDerWaalsContact O-N 3.11Å; L356-L428 HydrophobicContact CB-CD1 4.36Å; L356-L428 HydrophobicContact CB-CD2 4.04Å; L356-L428 HydrophobicContact CB-CG 4.09Å; L356-L428 HydrophobicContact CD1-CD1 4.22Å; L356-A432 HydrophobicContact CD1-CB 3.91Å; L356-A432 WeakPolarHBondContact O-CB 3.32Å
357	F	97.4	Very high	96.1	Very high	90 Å²	90	35 Å²	35	40%	0.395	16%	0.158	S	C	.	.	H	α-helix	trans	-71.9	-41.1	-179.4	-65.8	-78.2	0	0	0	111.2	I317 M354 G359 Y360 F361	I317-F357 HydrophobicContact CG2-CB 4.2Å; M354-F357 PolarHBondContact O-N 3.37Å; M354-F357 VanDerWaalsContact O-N 3.14Å; M354-F357 HydrophobicContact SD-CD2 3.66Å; M354-F357 HydrophobicContact SD-CE2 4.05Å; F357-G359 PolarHBondContact O-N 3.42Å; F357-Y360 PolarHBondContact O-N 2.81Å; F357-F361 HydrophobicContact CB-CD2 4.34Å; F357-F361 HydrophobicContact CB-CE2 4.46Å; F357-F361 HydrophobicContact CD1-CE2 4.17Å; F357-F361 VanDerWaalsContact O-CD2 3.26Å; F357-F361 WeakPolarHBondContact O-CD2 3.28Å; F357-F361 PolarHBondContact O-N 3.5Å
358	S	97.2	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-50.8	-57	173.6	177.6	0	0	0	0	111.6	G314 Q318 M354 A362	G314-S358 VanDerWaalsContact C-OG 3.25Å; G314-S358 WeakPolarHBondContact O-CB 3.47Å; G314-S358 PolarHBondContact O-OG 3.47Å; Q318-S358 PolarHBondContact OE1-OG 3.24Å; M354-S358 PolarHBondContact O-N 3.05Å; S358-A362 WeakPolarHBondContact O-CB 3.42Å; S358-A362 PolarHBondContact O-N 3.42Å
359	G	97.3	Very high	96.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.7	-49.1	179.5	0	0	0	0	0	112.1	G355 F357 F361 A362 G363 F433	G355-G359 PolarHBondContact O-N 2.99Å; F357-G359 PolarHBondContact O-N 3.42Å; G359-F361 PolarHBondContact O-N 3.25Å; G359-A362 PolarHBondContact O-N 2.81Å; G359-G363 PolarHBondContact O-N 3.43Å; G359-F433 WeakPolarHBondContact O-CA 3.16Å
360	Y	97.7	Very high	96.1	Very high	70 Å²	70	37.2 Å²	37.2	28%	0.275	16%	0.159	S	C	.	.	H	α-helix	trans	-58.5	-51.7	-177.3	175.6	-100.3	0	0	0	113.2	L356 F357 G363 R364 A432 G436	L356-Y360 WeakPolarHBondContact O-CB 3.14Å; L356-Y360 PolarHBondContact O-N 3.45Å; L356-Y360 VanDerWaalsContact O-N 3.11Å; F357-Y360 PolarHBondContact O-N 2.81Å; Y360-G363 PolarHBondContact O-N 3.25Å; Y360-R364 PolarHBondContact O-N 2.66Å; Y360-R364 VanDerWaalsContact O-N 3.09Å; Y360-A432 WeakPolarHBondContact CA-O 3.29Å; Y360-G436 VanDerWaalsContact O-CA 3.24Å; Y360-G436 WeakPolarHBondContact O-CA 3.31Å
361	F	97.4	Very high	96.1	Very high	66 Å²	66	38.5 Å²	38.5	29%	0.289	17%	0.166	S	C	.	.	H	α-helix	trans	-71.1	-38.2	-178.2	-76.4	-70.7	0	0	0	112.1	I317 F357 G359 R364 L365	I317-F361 HydrophobicContact CD1-CB 3.3Å; I317-F361 HydrophobicContact CD1-CD2 4.24Å; I317-F361 HydrophobicContact CD1-CG 3.99Å; I317-F361 HydrophobicContact CG2-CD2 4.23Å; F357-F361 HydrophobicContact CB-CD2 4.34Å; F357-F361 HydrophobicContact CB-CE2 4.46Å; F357-F361 HydrophobicContact CD1-CE2 4.17Å; F357-F361 VanDerWaalsContact O-CD2 3.26Å; F357-F361 WeakPolarHBondContact O-CD2 3.28Å; F357-F361 PolarHBondContact O-N 3.5Å; G359-F361 PolarHBondContact O-N 3.25Å; F361-R364 PolarHBondContact O-N 2.93Å; F361-L365 WeakPolarHBondContact O-CB 3.31Å; F361-L365 PolarHBondContact O-N 2.96Å
362	A	97.4	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-44.5	174.4	0	0	0	0	0	111.6	V310 S358 G359 R364 L365 Y366 T381 F433	V310-A362 HydrophobicContact CG1-CB 3.8Å; V310-A362 VanDerWaalsContact CG1-O 3.26Å; V310-A362 WeakPolarHBondContact CG1-O 3.34Å; S358-A362 WeakPolarHBondContact O-CB 3.42Å; S358-A362 PolarHBondContact O-N 3.42Å; G359-A362 PolarHBondContact O-N 2.81Å; A362-R364 VanDerWaalsContact C-N 3.34Å; A362-R364 PolarHBondContact O-N 3Å; A362-L365 PolarHBondContact O-N 2.87Å; A362-Y366 WeakPolarHBondContact O-CB 3.34Å; A362-Y366 PolarHBondContact O-N 2.88Å; A362-T381 HydrophobicContact CB-CG2 4.1Å; A362-F433 HydrophobicContact CB-CD2 3.94Å; A362-F433 HydrophobicContact CB-CE2 3.68Å
363	G	97.2	Very high	95.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-37.8	178	0	0	0	0	0	113.2	G359 Y360 K367 F433	G359-G363 PolarHBondContact O-N 3.43Å; Y360-G363 PolarHBondContact O-N 3.25Å; G363-K367 PolarHBondContact O-N 2.86Å; G363-F433 VanDerWaalsContact CA-CE1 3.47Å
364	R	96.7	Very high	95.7	Very high	57 Å²	57	45.6 Å²	45.6	22%	0.215	21%	0.209	C	C	.	.	H	α-helix	trans	-68.8	-43.6	175	-169.9	178.5	179.8	-162	-3.3	111.9	Y360 F361 A362 Y366 K367 T368 G436 Q440 Y442	Y360-R364 PolarHBondContact O-N 2.66Å; Y360-R364 VanDerWaalsContact O-N 3.09Å; F361-R364 PolarHBondContact O-N 2.93Å; A362-R364 VanDerWaalsContact C-N 3.34Å; A362-R364 PolarHBondContact O-N 3Å; R364-Y366 VanDerWaalsContact C-N 3.34Å; R364-K367 PolarHBondContact O-N 3.35Å; R364-T368 PolarHBondContact O-N 2.86Å; R364-T368 VanDerWaalsContact O-N 3.12Å; R364-T368 PolarHBondContact O-OG1 3.4Å; R364-G436 WeakPolarHBondContact CA-O 3.34Å; R364-Q440 PolarHBondContact NE-O 3.22Å; R364-Q440 VanDerWaalsContact NE-O 3.15Å; R364-Y442 HydrophobicContact CB-CE2 4.27Å; R364-Y442 HydrophobicContact CG-CD2 4.17Å; R364-Y442 HydrophobicContact CG-CE2 3.77Å; R364-Y442 VanDerWaalsContact CZ-CE1 3.41Å; R364-Y442 VanDerWaalsContact NH1-CE1 3.34Å
365	L	96.1	Very high	95.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-39.3	176.6	-175.6	62.4	0	0	0	111.7	V310 V313 F361 A362 K367 T368 F369 F590	V310-L365 HydrophobicContact CG2-CB 4.48Å; V310-L365 HydrophobicContact CG2-CD2 4.14Å; V310-L365 HydrophobicContact CG2-CG 4.07Å; V313-L365 HydrophobicContact CB-CD2 4.43Å; V313-L365 HydrophobicContact CG1-CD2 4.12Å; F361-L365 WeakPolarHBondContact O-CB 3.31Å; F361-L365 PolarHBondContact O-N 2.96Å; A362-L365 PolarHBondContact O-N 2.87Å; L365-K367 VanDerWaalsContact C-N 3.31Å; L365-K367 PolarHBondContact O-N 2.95Å; L365-T368 WeakPolarHBondContact O-CB 3.47Å; L365-T368 PolarHBondContact O-N 3.23Å; L365-T368 VanDerWaalsContact O-N 3.1Å; L365-F369 HydrophobicContact CD1-CE1 4.49Å; L365-F369 HydrophobicContact CD1-CE2 3.99Å; L365-F369 HydrophobicContact CD1-CZ 3.87Å; L365-F369 HydrophobicContact CD2-CE2 4.17Å; L365-F369 HydrophobicContact CG-CD2 4.34Å; L365-F369 HydrophobicContact CG-CE2 3.72Å; L365-F369 HydrophobicContact CG-CZ 4.13Å; L365-F369 PolarHBondContact O-N 3.48Å; L365-F369 VanDerWaalsContact O-N 3.14Å; L365-F590 HydrophobicContact CD1-CE1 4.23Å; L365-F590 HydrophobicContact CD1-CZ 4.12Å; L365-F590 HydrophobicContact CD2-CE1 3.71Å; L365-F590 HydrophobicContact CD2-CZ 3.82Å
366	Y	96.9	Very high	95.6	Very high	7 Å²	7	59.1 Å²	59.1	3%	0.027	27%	0.267	C	S	.	.	H	α-helix	trans	-57.4	-44	175.3	-166.2	-100.2	0	0	0	112.4	T307 V310 A362 R364 T368 F369 L371 N373 W374 A377 F433 F437	T307-Y366 HydrophobicContact CG2-CE2 3.93Å; V310-Y366 HydrophobicContact CB-CD2 4.41Å; V310-Y366 HydrophobicContact CG1-CD2 4.22Å; V310-Y366 HydrophobicContact CG2-CD2 4.26Å; A362-Y366 WeakPolarHBondContact O-CB 3.34Å; A362-Y366 PolarHBondContact O-N 2.88Å; R364-Y366 VanDerWaalsContact C-N 3.34Å; Y366-T368 VanDerWaalsContact C-N 3.35Å; Y366-F369 PolarHBondContact O-N 3.42Å; Y366-L371 HydrophobicContact CD1-CB 3.9Å; Y366-L371 HydrophobicContact CD2-CB 4.25Å; Y366-L371 HydrophobicContact CD2-CD1 3.86Å; Y366-L371 HydrophobicContact CE1-CB 3.37Å; Y366-L371 WeakPolarHBondContact CE1-O 3.41Å; Y366-L371 HydrophobicContact CE2-CB 3.78Å; Y366-L371 HydrophobicContact CE2-CD1 3.47Å; Y366-L371 VanDerWaalsContact CE2-CD1 3.47Å; Y366-L371 HydrophobicContact CE2-CG 4.29Å; Y366-L371 HydrophobicContact CG-CB 4.3Å; Y366-L371 PolarHBondContact O-N 2.98Å; Y366-N373 PolarHBondContact OH-N 3.42Å; Y366-N373 PolarHBondContact OH-O 2.77Å; Y366-W374 HydrophobicContact CD1-CB 4.48Å; Y366-W374 HydrophobicContact CE1-CB 4.39Å; Y366-A377 HydrophobicContact CD2-CB 3.62Å; Y366-A377 HydrophobicContact CE1-CB 4.25Å; Y366-A377 HydrophobicContact CE2-CB 3.22Å; Y366-A377 HydrophobicContact CG-CB 4.27Å; Y366-F433 HydrophobicContact CD1-CE1 4.4Å; Y366-F433 HydrophobicContact CD2-CZ 4.27Å; Y366-F433 HydrophobicContact CG-CE1 4.27Å; Y366-F433 AromaticContact CG-CZ 3.96Å; Y366-F433 HydrophobicContact CG-CZ 3.96Å; Y366-F437 HydrophobicContact CD1-CD2 4.09Å; Y366-F437 AromaticContact CD1-CE2 3.91Å; Y366-F437 HydrophobicContact CD1-CE2 3.91Å; Y366-F437 HydrophobicContact CE1-CE2 4.45Å
367	K	95.9	Very high	95.5	Very high	57 Å²	57	56 Å²	56	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-38	175.6	-166.3	-172.6	-166	160.9	0	112	G363 R364 L365 F369 R370 F437 R438 K439 P441	G363-K367 PolarHBondContact O-N 2.86Å; R364-K367 PolarHBondContact O-N 3.35Å; L365-K367 VanDerWaalsContact C-N 3.31Å; L365-K367 PolarHBondContact O-N 2.95Å; K367-F369 PolarHBondContact O-N 3.41Å; K367-R370 PolarHBondContact O-N 3.5Å; K367-F437 HydrophobicContact CB-CD2 3.87Å; K367-F437 HydrophobicContact CB-CE2 4.01Å; K367-F437 VanDerWaalsContact CD-O 3.26Å; K367-F437 WeakPolarHBondContact CD-O 3.43Å; K367-F437 WeakPolarHBondContact CE-O 3.45Å; K367-F437 HydrophobicContact CG-CD2 4.32Å; K367-F437 HydrophobicContact CG-CE2 4.16Å; K367-F437 PolarHBondContact NZ-O 3.37Å; K367-R438 PolarHBondContact NZ-O 3.41Å; K367-K439 WeakPolarHBondContact CD-O 3.48Å; K367-K439 PolarHBondContact NZ-O 3.4Å; K367-P441 HydrophobicContact CD-CB 4.23Å; K367-P441 HydrophobicContact CD-CG 4.43Å; K367-P441 HydrophobicContact CG-CB 4.23Å
368	T	94.3	Very high	95.5	Very high	13 Å²	13	51.7 Å²	51.7	8%	0.08	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-33.5	175.1	-71	0	0	0	0	112.3	R364 L365 Y366 R370 Y442	R364-T368 PolarHBondContact O-N 2.86Å; R364-T368 VanDerWaalsContact O-N 3.12Å; R364-T368 PolarHBondContact O-OG1 3.4Å; L365-T368 WeakPolarHBondContact O-CB 3.47Å; L365-T368 PolarHBondContact O-N 3.23Å; L365-T368 VanDerWaalsContact O-N 3.1Å; Y366-T368 VanDerWaalsContact C-N 3.35Å; T368-R370 PolarHBondContact O-N 2.97Å; T368-Y442 WeakPolarHBondContact OG1-CB 3.23Å; T368-Y442 WeakPolarHBondContact OG1-CD2 3.11Å; T368-Y442 PolarHBondContact OG1-N 3.32Å
369	F	94.5	Very high	95.5	Very high	6 Å²	6	55 Å²	55	3%	0.026	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	8	173.2	-62.8	-40.1	0	0	0	114.7	P302 P303 A306 L309 V310 L365 Y366 K367 L371 W533	P302-F369 HydrophobicContact CB-CB 4.16Å; P302-F369 HydrophobicContact CB-CD1 4.15Å; P302-F369 HydrophobicContact CB-CG 4.45Å; P303-F369 VanDerWaalsContact CD-CE1 3.48Å; P303-F369 HydrophobicContact CG-CE1 4.19Å; P303-F369 HydrophobicContact CG-CE2 4.44Å; P303-F369 HydrophobicContact CG-CZ 4.03Å; A306-F369 HydrophobicContact CB-CB 4.37Å; A306-F369 HydrophobicContact CB-CD2 3.88Å; A306-F369 HydrophobicContact CB-CE2 4.39Å; A306-F369 HydrophobicContact CB-CG 4.19Å; L309-F369 HydrophobicContact CD2-CE2 4.48Å; L309-F369 HydrophobicContact CD2-CZ 4.32Å; V310-F369 HydrophobicContact CG2-CD2 3.65Å; V310-F369 HydrophobicContact CG2-CE2 3.66Å; L365-F369 HydrophobicContact CD1-CE1 4.49Å; L365-F369 HydrophobicContact CD1-CE2 3.99Å; L365-F369 HydrophobicContact CD1-CZ 3.87Å; L365-F369 HydrophobicContact CD2-CE2 4.17Å; L365-F369 HydrophobicContact CG-CD2 4.34Å; L365-F369 HydrophobicContact CG-CE2 3.72Å; L365-F369 HydrophobicContact CG-CZ 4.13Å; L365-F369 PolarHBondContact O-N 3.48Å; L365-F369 VanDerWaalsContact O-N 3.14Å; Y366-F369 PolarHBondContact O-N 3.42Å; K367-F369 PolarHBondContact O-N 3.41Å; F369-L371 HydrophobicContact CB-CD1 4.12Å; F369-L371 HydrophobicContact CB-CG 4.06Å; F369-L371 PolarHBondContact O-N 3.16Å; F369-W533 AromaticContact CE1-CD2 4Å; F369-W533 HydrophobicContact CE1-CD2 4Å; F369-W533 AromaticContact CE1-CE3 3.74Å; F369-W533 HydrophobicContact CE1-CE3 3.74Å; F369-W533 AromaticContact CE1-CH2 3.55Å; F369-W533 HydrophobicContact CE1-CH2 3.55Å; F369-W533 AromaticContact CE1-CZ2 3.81Å; F369-W533 HydrophobicContact CE1-CZ2 3.81Å; F369-W533 AromaticContact CE1-CZ3 3.52Å; F369-W533 HydrophobicContact CE1-CZ3 3.52Å; F369-W533 HydrophobicContact CZ-CD2 4.24Å; F369-W533 AromaticContact CZ-CE3 3.71Å; F369-W533 HydrophobicContact CZ-CE3 3.71Å; F369-W533 HydrophobicContact CZ-CH2 4.23Å; F369-W533 AromaticContact CZ-CZ3 3.71Å; F369-W533 HydrophobicContact CZ-CZ3 3.71Å
370	R	92.3	Very high	95.4	Very high	194 Å²	194	58.5 Å²	58.5	73%	0.732	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	28.5	179	-53.4	179	-179.8	172.7	-0.2	113.5	K367 T368	K367-R370 PolarHBondContact O-N 3.5Å; T368-R370 PolarHBondContact O-N 2.97Å
371	L	93.2	Very high	95.4	Very high	50 Å²	50	55.2 Å²	55.2	26%	0.262	26%	0.255	S	S	.	.			trans	-90.4	144.4	177.4	-59.4	173.8	0	0	0	110.9	A306 T307 Y366 F369 F437	A306-L371 HydrophobicContact CB-CD1 3.9Å; T307-L371 HydrophobicContact CG2-CD1 3.94Å; Y366-L371 HydrophobicContact CD1-CB 3.9Å; Y366-L371 HydrophobicContact CD2-CB 4.25Å; Y366-L371 HydrophobicContact CD2-CD1 3.86Å; Y366-L371 HydrophobicContact CE1-CB 3.37Å; Y366-L371 WeakPolarHBondContact CE1-O 3.41Å; Y366-L371 HydrophobicContact CE2-CB 3.78Å; Y366-L371 HydrophobicContact CE2-CD1 3.47Å; Y366-L371 VanDerWaalsContact CE2-CD1 3.47Å; Y366-L371 HydrophobicContact CE2-CG 4.29Å; Y366-L371 HydrophobicContact CG-CB 4.3Å; Y366-L371 PolarHBondContact O-N 2.98Å; F369-L371 HydrophobicContact CB-CD1 4.12Å; F369-L371 HydrophobicContact CB-CG 4.06Å; F369-L371 PolarHBondContact O-N 3.16Å; L371-F437 WeakPolarHBondContact O-CE2 3.34Å
372	T	90.8	Very high	95.3	Very high	107 Å²	107	52 Å²	52	66%	0.656	24%	0.241	S	C	*	.			trans	-105.3	-29.1	-170.5	53.4	0	0	0	0	114.3	W374	T372-W374 VanDerWaalsContact C-N 3.25Å; T372-W374 PolarHBondContact O-N 3.33Å
373	N	94.3	Very high	95.2	Very high	99 Å²	99	54.4 Å²	54.4	53%	0.529	26%	0.257	S	S	.	.			trans	-80.8	60.2	-172.9	-72.5	-25.8	0	0	0	113.5	Y366 K375 K376 A377	Y366-N373 PolarHBondContact OH-N 3.42Å; Y366-N373 PolarHBondContact OH-O 2.77Å; N373-K375 VanDerWaalsContact C-N 3.34Å; N373-K375 PolarHBondContact O-N 3.31Å; N373-K376 PolarHBondContact O-N 3.37Å; N373-A377 PolarHBondContact O-N 3.13Å
374	W	93.7	Very high	95.1	Very high	59 Å²	59	56.9 Å²	56.9	22%	0.223	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-35.5	-173	71.6	-91.4	0	0	0	113.7	Y366 T372 A377 A378 F433 R434 F437	Y366-W374 HydrophobicContact CD1-CB 4.48Å; Y366-W374 HydrophobicContact CE1-CB 4.39Å; T372-W374 VanDerWaalsContact C-N 3.25Å; T372-W374 PolarHBondContact O-N 3.33Å; W374-A377 PolarHBondContact O-N 2.92Å; W374-A378 VanDerWaalsContact O-CB 3.31Å; W374-A378 WeakPolarHBondContact O-CB 3.5Å; W374-A378 PolarHBondContact O-N 2.91Å; W374-F433 HydrophobicContact CB-CD1 4.41Å; W374-F433 HydrophobicContact CB-CE1 4.02Å; W374-F433 HydrophobicContact CE3-CD1 4.42Å; W374-R434 HydrophobicContact CH2-CB 4.26Å; W374-R434 HydrophobicContact CH2-CG 4.34Å; W374-R434 HydrophobicContact CZ3-CB 4Å; W374-F437 HydrophobicContact CB-CD1 4.34Å; W374-F437 HydrophobicContact CB-CD2 4.04Å; W374-F437 HydrophobicContact CB-CE2 4.24Å; W374-F437 HydrophobicContact CB-CG 4.09Å; W374-F437 HydrophobicContact CB-CZ 4.48Å; W374-F437 HydrophobicContact CG-CD1 4.32Å; W374-F437 HydrophobicContact CG-CG 4.48Å
375	K	95.9	Very high	95	Very high	135 Å²	135	54.3 Å²	54.3	59%	0.587	26%	0.26	S	S	*	.	H	α-helix	trans	-61	-48.3	-179.3	-66.4	-175.6	-178.1	-178.8	0	112	N373 A377 A378 V379	N373-K375 VanDerWaalsContact C-N 3.34Å; N373-K375 PolarHBondContact O-N 3.31Å; K375-A377 VanDerWaalsContact C-N 3.31Å; K375-A377 PolarHBondContact O-N 3.48Å; K375-A378 PolarHBondContact O-N 3.35Å; K375-V379 WeakPolarHBondContact O-CG2 3.38Å; K375-V379 PolarHBondContact O-N 3.45Å; K375-V379 VanDerWaalsContact O-N 3.09Å
376	K	94.6	Very high	94.8	Very high	164 Å²	164	54.8 Å²	54.8	71%	0.713	26%	0.263	S	S	*	.	H	α-helix	trans	-65	-37.8	178.5	-68.5	-175.2	178.6	-178.6	0	111.3	N373 K380	N373-K376 PolarHBondContact O-N 3.37Å; K376-K380 WeakPolarHBondContact O-CB 3.32Å; K376-K380 PolarHBondContact O-N 3.41Å; K376-K380 VanDerWaalsContact O-N 3.08Å
377	A	95.4	Very high	94.7	Very high	2 Å²	2	56.2 Å²	56.2	2%	0.017	28%	0.281	C	S	.	.	H	α-helix	trans	-66.7	-43.1	177.1	0	0	0	0	0	112.1	Y366 N373 W374 K375 K380 T381 F433	Y366-A377 HydrophobicContact CD2-CB 3.62Å; Y366-A377 HydrophobicContact CE1-CB 4.25Å; Y366-A377 HydrophobicContact CE2-CB 3.22Å; Y366-A377 HydrophobicContact CG-CB 4.27Å; N373-A377 PolarHBondContact O-N 3.13Å; W374-A377 PolarHBondContact O-N 2.92Å; K375-A377 VanDerWaalsContact C-N 3.31Å; K375-A377 PolarHBondContact O-N 3.48Å; A377-K380 WeakPolarHBondContact O-CB 3.08Å; A377-K380 PolarHBondContact O-N 2.94Å; A377-T381 PolarHBondContact O-N 2.95Å; A377-T381 PolarHBondContact O-OG1 3.33Å; A377-T381 VanDerWaalsContact O-OG1 3.11Å; A377-F433 HydrophobicContact CB-CE1 4.31Å; A377-F433 HydrophobicContact CB-CE2 4.45Å; A377-F433 HydrophobicContact CB-CZ 3.73Å
378	A	96.8	Very high	94.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-44.5	178.9	0	0	0	0	0	112.1	W374 K375 K380 T381 A382 M430 F433	W374-A378 VanDerWaalsContact O-CB 3.31Å; W374-A378 WeakPolarHBondContact O-CB 3.5Å; W374-A378 PolarHBondContact O-N 2.91Å; K375-A378 PolarHBondContact O-N 3.35Å; A378-K380 VanDerWaalsContact C-N 3.3Å; A378-K380 PolarHBondContact O-N 2.68Å; A378-T381 PolarHBondContact O-N 3.42Å; A378-A382 WeakPolarHBondContact O-CB 3.16Å; A378-A382 PolarHBondContact O-N 2.74Å; A378-M430 VanDerWaalsContact C-SD 3.51Å; A378-M430 HydrophobicContact CB-CE 4.11Å; A378-M430 HydrophobicContact CB-SD 3.25Å; A378-M430 WeakPolarHBondContact CB-SD 3.4Å; A378-F433 HydrophobicContact CB-CB 3.75Å; A378-F433 HydrophobicContact CB-CD1 3.78Å; A378-F433 HydrophobicContact CB-CD2 3.8Å; A378-F433 HydrophobicContact CB-CE1 4.29Å; A378-F433 HydrophobicContact CB-CE2 4.3Å; A378-F433 HydrophobicContact CB-CG 3.51Å
379	V	96.4	Very high	94.7	Very high	70 Å²	70	59.5 Å²	59.5	42%	0.424	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-41.3	173.7	173.7	0	0	0	0	110.8	K375 A382 C383 M430	K375-V379 WeakPolarHBondContact O-CG2 3.38Å; K375-V379 PolarHBondContact O-N 3.45Å; K375-V379 VanDerWaalsContact O-N 3.09Å; V379-A382 PolarHBondContact O-N 3.25Å; V379-C383 WeakPolarHBondContact O-CB 3.47Å; V379-C383 PolarHBondContact O-N 3.25Å; V379-C383 PolarHBondContact O-SG 2.94Å; V379-C383 VanDerWaalsContact O-SG 3.41Å; V379-M430 HydrophobicContact CB-SD 4.45Å; V379-M430 HydrophobicContact CG2-CE 3.87Å; V379-M430 HydrophobicContact CG2-SD 3.66Å; V379-M430 PolarHBondContact N-SD 2.68Å; V379-M430 VanDerWaalsContact N-SD 3.4Å
380	K	96.3	Very high	94.7	Very high	73 Å²	73	62 Å²	62	32%	0.317	31%	0.307	S	S	.	.	H	α-helix	trans	-63.6	-43.9	176.8	-170.3	177.2	-178.1	175.8	0	112	A311 K376 A377 A378 A382 L384	A311-K380 HydrophobicContact CB-CD 4.31Å; A311-K380 HydrophobicContact CB-CG 3.97Å; K376-K380 WeakPolarHBondContact O-CB 3.32Å; K376-K380 PolarHBondContact O-N 3.41Å; K376-K380 VanDerWaalsContact O-N 3.08Å; A377-K380 WeakPolarHBondContact O-CB 3.08Å; A377-K380 PolarHBondContact O-N 2.94Å; A378-K380 VanDerWaalsContact C-N 3.3Å; A378-K380 PolarHBondContact O-N 2.68Å; K380-A382 VanDerWaalsContact C-N 3.33Å; K380-L384 HydrophobicContact CG-CD1 4.26Å; K380-L384 WeakPolarHBondContact O-CB 3.29Å; K380-L384 PolarHBondContact O-N 2.84Å
381	T	96.3	Very high	94.8	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-42.9	175	-58.8	0	0	0	0	111.5	A311 S315 A362 A377 A378 V429	A311-T381 WeakPolarHBondContact CA-OG1 3.3Å; S315-T381 PolarHBondContact OG-O 3.34Å; A362-T381 HydrophobicContact CB-CG2 4.1Å; A377-T381 PolarHBondContact O-N 2.95Å; A377-T381 PolarHBondContact O-OG1 3.33Å; A377-T381 VanDerWaalsContact O-OG1 3.11Å; A378-T381 PolarHBondContact O-N 3.42Å; T381-V429 HydrophobicContact CG2-CG1 4.27Å
382	A	96.2	Very high	94.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-70.1	-37.8	-178.8	0	0	0	0	0	113.1	A378 V379 K380 P386 I426 V429	A378-A382 WeakPolarHBondContact O-CB 3.16Å; A378-A382 PolarHBondContact O-N 2.74Å; V379-A382 PolarHBondContact O-N 3.25Å; K380-A382 VanDerWaalsContact C-N 3.33Å; A382-P386 WeakPolarHBondContact O-CD 3.47Å; A382-P386 WeakPolarHBondContact O-CG 3.36Å; A382-I426 HydrophobicContact CB-CB 4.49Å; A382-I426 HydrophobicContact CB-CG1 4.23Å; A382-I426 HydrophobicContact CB-CG2 4.38Å; A382-V429 HydrophobicContact CB-CB 3.93Å; A382-V429 HydrophobicContact CB-CG1 3.79Å; A382-V429 HydrophobicContact CB-CG2 4.42Å
383	C	95.3	Very high	94.9	Very high	50 Å²	50	53 Å²	53	34%	0.338	28%	0.278	S	S	.	.	H	α-helix	trans	-99.3	-22.8	-170.9	-63.6	0	0	0	0	114.4	V379 G387	V379-C383 WeakPolarHBondContact O-CB 3.47Å; V379-C383 PolarHBondContact O-N 3.25Å; V379-C383 PolarHBondContact O-SG 2.94Å; V379-C383 VanDerWaalsContact O-SG 3.41Å; C383-G387 WeakPolarHBondContact O-CA 3.25Å; C383-G387 PolarHBondContact O-N 3Å
384	L	94.3	Very high	94.9	Very high	52 Å²	52	52.2 Å²	52.2	27%	0.272	27%	0.271	S	S	.	.	H	α-helix	trans	-62.9	-50.9	-168.1	-177.6	154.3	0	0	0	112.6	L308 A311 L312 K380 F388	L308-L384 HydrophobicContact CD1-CD1 3.62Å; A311-L384 HydrophobicContact CB-CD1 4.32Å; L312-L384 HydrophobicContact CD2-CD2 3.75Å; K380-L384 HydrophobicContact CG-CD1 4.26Å; K380-L384 WeakPolarHBondContact O-CB 3.29Å; K380-L384 PolarHBondContact O-N 2.84Å; L384-F388 VanDerWaalsContact O-CB 3.22Å; L384-F388 WeakPolarHBondContact O-CB 3.46Å; L384-F388 PolarHBondContact O-N 3.29Å
385	L	94.7	Very high	94.9	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-76.7	-57.8	179.3	178.4	61.2	0	0	0	112.4	V319 Y351 G387 F388 L389 T580 L583	V319-L385 HydrophobicContact CG2-CD2 3.48Å; V319-L385 VanDerWaalsContact CG2-CD2 3.48Å; Y351-L385 HydrophobicContact CE2-CD2 4.37Å; L385-G387 VanDerWaalsContact C-N 3.3Å; L385-G387 PolarHBondContact O-N 3.36Å; L385-F388 PolarHBondContact O-N 2.79Å; L385-L389 HydrophobicContact CD1-CD1 3.88Å; L385-L389 HydrophobicContact CD1-CD2 4.38Å; L385-L389 HydrophobicContact CD1-CG 3.91Å; L385-L389 HydrophobicContact CG-CD1 3.98Å; L385-L389 HydrophobicContact CG-CG 4.37Å; L385-L389 WeakPolarHBondContact O-CG 3.33Å; L385-L389 PolarHBondContact O-N 3.24Å; L385-T580 HydrophobicContact CD1-CG2 4.45Å; L385-L583 HydrophobicContact CD1-CD1 3.61Å; L385-L583 HydrophobicContact CD2-CD1 3.85Å; L385-L583 HydrophobicContact CG-CD1 4.22Å
386	P	93.6	Very high	94.8	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-33.1	-175.8	26	-33.4	0	0	0	112	Y351 A382 L389 F390 F421	Y351-P386 HydrophobicContact CE1-CB 4.31Å; A382-P386 WeakPolarHBondContact O-CD 3.47Å; A382-P386 WeakPolarHBondContact O-CG 3.36Å; P386-L389 PolarHBondContact O-N 2.91Å; P386-F390 WeakPolarHBondContact O-CB 3.16Å; P386-F390 PolarHBondContact O-N 3.4Å; P386-F421 HydrophobicContact CB-CD1 4.17Å; P386-F421 HydrophobicContact CB-CE1 4.27Å
387	G	94.2	Very high	94.7	Very high	38 Å²	38	40 Å²	40	39%	0.392	23%	0.226	S	C	.	.	H	α-helix	trans	-64.7	-40.5	173.5	0	0	0	0	0	112.6	C383 L385 L391	C383-G387 WeakPolarHBondContact O-CA 3.25Å; C383-G387 PolarHBondContact O-N 3Å; L385-G387 VanDerWaalsContact C-N 3.3Å; L385-G387 PolarHBondContact O-N 3.36Å; G387-L391 WeakPolarHBondContact O-CB 3.41Å; G387-L391 PolarHBondContact O-N 3.41Å
388	F	95.5	Very high	94.6	Very high	86 Å²	86	44.6 Å²	44.6	38%	0.377	25%	0.249	S	C	.	.	H	α-helix	trans	-64.5	-46.8	172.9	172.8	-99.6	0	0	0	111.9	L384 L385 F390 L391 A392 F575 L576 L579	L384-F388 VanDerWaalsContact O-CB 3.22Å; L384-F388 WeakPolarHBondContact O-CB 3.46Å; L384-F388 PolarHBondContact O-N 3.29Å; L385-F388 PolarHBondContact O-N 2.79Å; F388-F390 PolarHBondContact O-N 2.95Å; F388-L391 PolarHBondContact O-N 2.83Å; F388-A392 WeakPolarHBondContact O-CB 3.2Å; F388-A392 PolarHBondContact O-N 3.31Å; F388-F575 HydrophobicContact CZ-CE1 4.48Å; F388-L576 HydrophobicContact CD1-CD2 4.43Å; F388-L576 HydrophobicContact CE1-CD2 3.51Å; F388-L576 HydrophobicContact CZ-CD2 4.06Å; F388-L579 HydrophobicContact CD1-CD2 3.82Å; F388-L579 HydrophobicContact CE1-CD2 3.26Å; F388-L579 HydrophobicContact CZ-CD2 3.99Å
389	L	94.4	Very high	94.4	Very high	53 Å²	53	47.6 Å²	47.6	28%	0.277	26%	0.264	S	S	.	.	H	α-helix	trans	-63.6	-40.2	178.8	-67.4	178.8	0	0	0	112	L385 P386 G393 L576 T580	L385-L389 HydrophobicContact CD1-CD1 3.88Å; L385-L389 HydrophobicContact CD1-CD2 4.38Å; L385-L389 HydrophobicContact CD1-CG 3.91Å; L385-L389 HydrophobicContact CG-CD1 3.98Å; L385-L389 HydrophobicContact CG-CG 4.37Å; L385-L389 WeakPolarHBondContact O-CG 3.33Å; L385-L389 PolarHBondContact O-N 3.24Å; P386-L389 PolarHBondContact O-N 2.91Å; L389-G393 WeakPolarHBondContact O-CA 3.26Å; L389-G393 PolarHBondContact O-N 3.18Å; L389-L576 HydrophobicContact CD2-CD2 4.03Å; L389-T580 HydrophobicContact CD1-CG2 4.3Å; L389-T580 HydrophobicContact CD2-CG2 4.22Å
390	F	93.7	Very high	94.1	Very high	59 Å²	59	44.3 Å²	44.3	26%	0.259	25%	0.245	S	C	.	.	H	α-helix	trans	-65.8	-44.4	177	-175.4	-93.4	0	0	0	111.5	P386 F388 G393 F394 M414 L418	P386-F390 WeakPolarHBondContact O-CB 3.16Å; P386-F390 PolarHBondContact O-N 3.4Å; F388-F390 PolarHBondContact O-N 2.95Å; F390-G393 PolarHBondContact O-N 3.41Å; F390-F394 WeakPolarHBondContact O-CB 3.27Å; F390-F394 PolarHBondContact O-N 3.01Å; F390-M414 HydrophobicContact CE2-CE 4.32Å; F390-M414 HydrophobicContact CZ-CE 4.03Å; F390-L418 HydrophobicContact CD1-CD1 4.41Å; F390-L418 HydrophobicContact CE1-CD1 4.11Å; F390-L418 HydrophobicContact CE2-CB 3.88Å; F390-L418 HydrophobicContact CE2-CD1 4.21Å; F390-L418 HydrophobicContact CZ-CB 3.93Å; F390-L418 HydrophobicContact CZ-CD1 4.01Å; F390-L418 HydrophobicContact CZ-CD2 4.17Å; F390-L418 HydrophobicContact CZ-CG 4.26Å
391	L	94.4	Very high	93.8	Very high	110 Å²	110	42.8 Å²	42.8	58%	0.576	25%	0.246	S	C	*	.	H	α-helix	trans	-64.9	-46.6	177.7	-176.6	65.4	0	0	0	111.7	G387 F388 F394 V395	G387-L391 WeakPolarHBondContact O-CB 3.41Å; G387-L391 PolarHBondContact O-N 3.41Å; F388-L391 PolarHBondContact O-N 2.83Å; L391-F394 PolarHBondContact O-N 3.43Å; L391-V395 WeakPolarHBondContact O-CG2 3.48Å; L391-V395 PolarHBondContact O-N 3.49Å; L391-V395 VanDerWaalsContact O-N 3.11Å
392	A	95	Very high	93.5	Very high	22 Å²	22	46.2 Å²	46.2	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-46	175.6	0	0	0	0	0	111	F388 F394 V395 L396 L576	F388-A392 WeakPolarHBondContact O-CB 3.2Å; F388-A392 PolarHBondContact O-N 3.31Å; A392-F394 VanDerWaalsContact C-N 3.33Å; A392-F394 PolarHBondContact O-N 3.36Å; A392-V395 PolarHBondContact O-N 3.35Å; A392-L396 VanDerWaalsContact O-CG 3.29Å; A392-L396 WeakPolarHBondContact O-CG 3.41Å; A392-L396 PolarHBondContact O-N 3.05Å; A392-L576 HydrophobicContact CB-CD1 4.17Å; A392-L576 HydrophobicContact CB-CD2 4.04Å
393	G	93	Very high	93.1	Very high	28 Å²	28	50 Å²	50	29%	0.289	29%	0.288	S	S	.	.	H	α-helix	trans	-60	-39.3	176.3	0	0	0	0	0	113	L389 F390 L396 N397	L389-G393 WeakPolarHBondContact O-CA 3.26Å; L389-G393 PolarHBondContact O-N 3.18Å; F390-G393 PolarHBondContact O-N 3.41Å; G393-L396 PolarHBondContact O-N 3.4Å; G393-N397 WeakPolarHBondContact O-CB 3.47Å; G393-N397 PolarHBondContact O-N 3.05Å
394	F	93.3	Very high	92.7	Very high	84 Å²	84	55.5 Å²	55.5	37%	0.368	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-44.9	175.6	177.1	-114.7	0	0	0	112.3	F390 L391 A392 N397 M398 M414	F390-F394 WeakPolarHBondContact O-CB 3.27Å; F390-F394 PolarHBondContact O-N 3.01Å; L391-F394 PolarHBondContact O-N 3.43Å; A392-F394 VanDerWaalsContact C-N 3.33Å; A392-F394 PolarHBondContact O-N 3.36Å; F394-N397 WeakPolarHBondContact O-CB 3.43Å; F394-N397 PolarHBondContact O-N 2.93Å; F394-M398 HydrophobicContact CD2-CE 4Å; F394-M398 HydrophobicContact CE1-CE 4.33Å; F394-M398 HydrophobicContact CE2-CE 3.2Å; F394-M398 HydrophobicContact CZ-CE 3.4Å; F394-M398 VanDerWaalsContact CZ-CE 3.4Å; F394-M398 WeakPolarHBondContact O-CG 3.41Å; F394-M398 PolarHBondContact O-N 3.13Å; F394-M414 HydrophobicContact CB-CE 3.94Å; F394-M414 HydrophobicContact CD2-CE 3.27Å; F394-M414 HydrophobicContact CD2-SD 3.83Å; F394-M414 HydrophobicContact CE2-CE 4.13Å; F394-M414 HydrophobicContact CE2-SD 4.3Å; F394-M414 HydrophobicContact CG-CE 4.05Å
395	V	93.9	Very high	92.4	Very high	79 Å²	79	53.2 Å²	53.2	48%	0.479	30%	0.297	S	S	.	.	H	α-helix	trans	-63.4	-45.2	176.9	174.7	0	0	0	0	110.9	L391 A392 N397 M398 L399	L391-V395 WeakPolarHBondContact O-CG2 3.48Å; L391-V395 PolarHBondContact O-N 3.49Å; L391-V395 VanDerWaalsContact O-N 3.11Å; A392-V395 PolarHBondContact O-N 3.35Å; V395-N397 VanDerWaalsContact C-N 3.28Å; V395-N397 PolarHBondContact O-N 3.09Å; V395-M398 PolarHBondContact O-N 3.41Å; V395-L399 PolarHBondContact O-N 3.45Å
396	L	93.6	Very high	92	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-64.5	-34.7	176.1	-62.6	176.2	0	0	0	112	A392 G393 L399 A400 L569 S572 Y573 L576	A392-L396 VanDerWaalsContact O-CG 3.29Å; A392-L396 WeakPolarHBondContact O-CG 3.41Å; A392-L396 PolarHBondContact O-N 3.05Å; G393-L396 PolarHBondContact O-N 3.4Å; L396-L399 HydrophobicContact CD2-CD1 4.45Å; L396-L399 PolarHBondContact O-N 3.33Å; L396-A400 PolarHBondContact O-N 2.84Å; L396-L569 HydrophobicContact CB-CD2 3.99Å; L396-L569 HydrophobicContact CD2-CD2 4.04Å; L396-S572 WeakPolarHBondContact CD2-OG 3.4Å; L396-Y573 HydrophobicContact CD1-CD1 3.84Å; L396-Y573 HydrophobicContact CD1-CE1 3.58Å; L396-L576 HydrophobicContact CD1-CD1 4.13Å
397	N	93.4	Very high	91.6	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.07	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-39	175.4	-168.4	58.2	0	0	0	112	G393 F394 V395 L399 A400 A401 A408 L409	G393-N397 WeakPolarHBondContact O-CB 3.47Å; G393-N397 PolarHBondContact O-N 3.05Å; F394-N397 WeakPolarHBondContact O-CB 3.43Å; F394-N397 PolarHBondContact O-N 2.93Å; V395-N397 VanDerWaalsContact C-N 3.28Å; V395-N397 PolarHBondContact O-N 3.09Å; N397-L399 VanDerWaalsContact C-N 3.32Å; N397-L399 PolarHBondContact O-N 3.47Å; N397-A400 PolarHBondContact O-N 3.05Å; N397-A401 VanDerWaalsContact O-CB 3.23Å; N397-A401 WeakPolarHBondContact O-CB 3.3Å; N397-A401 PolarHBondContact O-N 3.05Å; N397-A408 WeakPolarHBondContact OD1-CA 3.29Å; N397-L409 PolarHBondContact ND2-O 3.13Å; N397-L409 VanDerWaalsContact ND2-O 3.09Å; N397-L409 WeakPolarHBondContact OD1-CB 3.42Å; N397-L409 PolarHBondContact OD1-N 3.28Å
398	M	92.8	Very high	91.3	Very high	100 Å²	100	53.7 Å²	53.7	49%	0.493	29%	0.293	S	S	.	.	H	α-helix	trans	-63.2	-39.5	174.9	-70.6	-64	166.8	0	0	111.7	F394 V395 A401 S402	F394-M398 HydrophobicContact CD2-CE 4Å; F394-M398 HydrophobicContact CE1-CE 4.33Å; F394-M398 HydrophobicContact CE2-CE 3.2Å; F394-M398 HydrophobicContact CZ-CE 3.4Å; F394-M398 VanDerWaalsContact CZ-CE 3.4Å; F394-M398 WeakPolarHBondContact O-CG 3.41Å; F394-M398 PolarHBondContact O-N 3.13Å; V395-M398 PolarHBondContact O-N 3.41Å; M398-A401 PolarHBondContact O-N 3.27Å; M398-S402 PolarHBondContact O-N 3.27Å
399	L	92.3	Very high	90.9	Very high	62 Å²	62	51 Å²	51	33%	0.325	28%	0.283	S	S	.	.	H	α-helix	trans	-65.3	-42.9	174	-65.8	176.3	0	0	0	111.9	V395 L396 N397 S402 T565 I568	V395-L399 PolarHBondContact O-N 3.45Å; L396-L399 HydrophobicContact CD2-CD1 4.45Å; L396-L399 PolarHBondContact O-N 3.33Å; N397-L399 VanDerWaalsContact C-N 3.32Å; N397-L399 PolarHBondContact O-N 3.47Å; L399-S402 PolarHBondContact O-N 2.97Å; L399-S402 PolarHBondContact O-OG 2.79Å; L399-T565 HydrophobicContact CB-CG2 4.26Å; L399-I568 HydrophobicContact CD1-CG2 3.89Å
400	A	90.5	Very high	90.6	Very high	1 Å²	1	51 Å²	51	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-65.2	-41.7	176.1	0	0	0	0	0	112.1	L396 N397 S402 Q403 H404 A405 A408	L396-A400 PolarHBondContact O-N 2.84Å; N397-A400 PolarHBondContact O-N 3.05Å; A400-S402 VanDerWaalsContact C-N 3.33Å; A400-S402 PolarHBondContact O-N 3.14Å; A400-Q403 PolarHBondContact O-N 2.72Å; A400-Q403 VanDerWaalsContact O-N 3.13Å; A400-H404 PolarHBondContact O-N 3.4Å; A400-A405 HydrophobicContact CB-CB 4.43Å; A400-A405 WeakPolarHBondContact O-CB 3.48Å; A400-A405 PolarHBondContact O-N 3.32Å; A400-A408 HydrophobicContact CB-CB 4.42Å
401	A	90.8	Very high	90.4	Very high	41 Å²	41	56 Å²	56	34%	0.339	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-38	177.2	0	0	0	0	0	112	N397 M398 Q403 H404 A408	N397-A401 VanDerWaalsContact O-CB 3.23Å; N397-A401 WeakPolarHBondContact O-CB 3.3Å; N397-A401 PolarHBondContact O-N 3.05Å; M398-A401 PolarHBondContact O-N 3.27Å; A401-Q403 PolarHBondContact O-N 3.46Å; A401-Q403 VanDerWaalsContact O-N 3.14Å; A401-H404 PolarHBondContact O-N 3.43Å; A401-A408 HydrophobicContact CB-CB 4.04Å
402	S	89.3	Confident	90.1	Very high	73 Å²	73	55 Å²	55	51%	0.51	31%	0.311	S	S	.	.	H	α-helix	trans	-60.9	-21.4	175.4	77.5	0	0	0	0	113.8	M398 L399 A400	M398-S402 PolarHBondContact O-N 3.27Å; L399-S402 PolarHBondContact O-N 2.97Å; L399-S402 PolarHBondContact O-OG 2.79Å; A400-S402 VanDerWaalsContact C-N 3.33Å; A400-S402 PolarHBondContact O-N 3.14Å
403	Q	87.8	Confident	89.8	Confident	79 Å²	79	54.6 Å²	54.6	37%	0.369	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	3.3	177.1	-62.4	-64.3	-38.9	0	0	112.8	L51 F53 A400 A401 A405 T565	L51-Q403 HydrophobicContact CD1-CB 4.2Å; L51-Q403 HydrophobicContact CD1-CG 4.24Å; F53-Q403 VanDerWaalsContact CE1-O 3.29Å; F53-Q403 WeakPolarHBondContact CE1-O 3.3Å; A400-Q403 PolarHBondContact O-N 2.72Å; A400-Q403 VanDerWaalsContact O-N 3.13Å; A401-Q403 PolarHBondContact O-N 3.46Å; A401-Q403 VanDerWaalsContact O-N 3.14Å; Q403-A405 PolarHBondContact O-N 3.15Å; Q403-T565 HydrophobicContact CG-CG2 3.78Å; Q403-T565 PolarHBondContact NE2-OG1 3.29Å
404	H	87.3	Confident	89.6	Confident	165 Å²	165	54.1 Å²	54.1	76%	0.764	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	32.1	-171.2	-58.1	-79	0	0	0	113.7	F53 A400 A401	F53-H404 WeakPolarHBondContact CD1-O 3.46Å; A400-H404 PolarHBondContact O-N 3.4Å; A401-H404 PolarHBondContact O-N 3.43Å
405	A	87.3	Confident	89.6	Confident	5 Å²	5	54.7 Å²	54.7	4%	0.041	30%	0.304	C	S	.	.			trans	-70.2	142.3	179.3	0	0	0	0	0	111.7	L51 P52 F53 A400 Q403 N407 A408	L51-A405 HydrophobicContact CD2-CB 3.93Å; P52-A405 CarbonylContact O-C 3.57Å; P52-A405 WeakPolarHBondContact O-CA 3.42Å; F53-A405 HydrophobicContact CE1-CB 4.41Å; A400-A405 HydrophobicContact CB-CB 4.43Å; A400-A405 WeakPolarHBondContact O-CB 3.48Å; A400-A405 PolarHBondContact O-N 3.32Å; Q403-A405 PolarHBondContact O-N 3.15Å; A405-N407 WeakPolarHBondContact CB-OD1 3.48Å; A405-N407 PolarHBondContact O-N 2.85Å; A405-A408 WeakPolarHBondContact O-CB 3.39Å; A405-A408 PolarHBondContact O-N 3.45Å
406	S	85.8	Confident	89.4	Confident	10 Å²	10	53.7 Å²	53.7	7%	0.07	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.1	179.3	-172.2	0	0	0	0	113.5	P52 G80 R82 A408	P52-S406 WeakPolarHBondContact O-CB 3.45Å; P52-S406 PolarHBondContact O-N 3.37Å; G80-S406 WeakPolarHBondContact CA-O 3.22Å; G80-S406 PolarHBondContact O-OG 3.04Å; R82-S406 VanDerWaalsContact CG-OG 3.25Å; R82-S406 WeakPolarHBondContact CG-OG 3.31Å; S406-A408 PolarHBondContact O-N 3.45Å
407	N	84.7	Confident	89.2	Confident	28 Å²	28	53.8 Å²	53.8	15%	0.15	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.3	174.4	65.9	-9.5	0	0	0	113.2	P52 A405 L409	P52-N407 HydrophobicContact CG-CB 3.63Å; A405-N407 WeakPolarHBondContact CB-OD1 3.48Å; A405-N407 PolarHBondContact O-N 2.85Å; N407-L409 PolarHBondContact O-N 3.49Å; N407-L409 VanDerWaalsContact O-N 3.15Å
408	A	87.8	Confident	89.2	Confident	21 Å²	21	56 Å²	56	17%	0.174	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-62.8	117.2	169	0	0	0	0	0	108.9	N397 A400 A401 A405 S406 S410	N397-A408 WeakPolarHBondContact OD1-CA 3.29Å; A400-A408 HydrophobicContact CB-CB 4.42Å; A401-A408 HydrophobicContact CB-CB 4.04Å; A405-A408 WeakPolarHBondContact O-CB 3.39Å; A405-A408 PolarHBondContact O-N 3.45Å; S406-A408 PolarHBondContact O-N 3.45Å; A408-S410 PolarHBondContact O-N 3.21Å
409	L	88.3	Confident	89.1	Confident	29 Å²	29	54 Å²	54	15%	0.152	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-68.7	129.4	176.9	-61.4	175	0	0	0	109.3	I77 F78 N397 N407 M414 L417	I77-L409 HydrophobicContact CG2-CD2 3.7Å; F78-L409 HydrophobicContact CD1-CD1 4.09Å; F78-L409 HydrophobicContact CD1-CD2 3.92Å; F78-L409 HydrophobicContact CE1-CD1 3.72Å; F78-L409 HydrophobicContact CE1-CD2 4.21Å; F78-L409 HydrophobicContact CG-CD2 4.47Å; N397-L409 PolarHBondContact ND2-O 3.13Å; N397-L409 VanDerWaalsContact ND2-O 3.09Å; N397-L409 WeakPolarHBondContact OD1-CB 3.42Å; N397-L409 PolarHBondContact OD1-N 3.28Å; N407-L409 PolarHBondContact O-N 3.49Å; N407-L409 VanDerWaalsContact O-N 3.15Å; L409-M414 HydrophobicContact CB-CG 3.92Å; L409-L417 HydrophobicContact CD1-CD1 4.25Å
410	S	88.5	Confident	89.1	Confident	53 Å²	53	52.2 Å²	52.2	37%	0.371	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-63.5	154.8	169	77.9	0	0	0	0	110.5	A408 S412 S413 M414	A408-S410 PolarHBondContact O-N 3.21Å; S410-S412 PolarHBondContact O-N 2.96Å; S410-S413 WeakPolarHBondContact O-CB 3.39Å; S410-S413 PolarHBondContact O-N 2.67Å; S410-S413 VanDerWaalsContact O-N 3.08Å; S410-S413 PolarHBondContact OG-N 2.9Å; S410-S413 PolarHBondContact OG-OG 3.47Å; S410-M414 WeakPolarHBondContact O-CG 3.21Å; S410-M414 PolarHBondContact O-N 2.94Å
411	F	88.5	Confident	89.2	Confident	165 Å²	165	53.8 Å²	53.8	72%	0.724	31%	0.305	S	S	*	.	H	α-helix	trans	-55.1	-38.3	176.1	-180	-100.9	0	0	0	112.6	M414 L415	F411-M414 WeakPolarHBondContact O-CB 3.37Å; F411-M414 PolarHBondContact O-N 3.39Å; F411-L415 PolarHBondContact O-N 2.95Å
412	S	87.6	Confident	89.3	Confident	89 Å²	89	56.2 Å²	56.2	62%	0.622	31%	0.312	S	S	*	.	H	α-helix	trans	-61.7	-45.4	176.5	-179.3	0	0	0	0	112.2	S410 M414 L415 S416	S410-S412 PolarHBondContact O-N 2.96Å; S412-M414 VanDerWaalsContact C-N 3.31Å; S412-M414 PolarHBondContact O-N 3.19Å; S412-L415 PolarHBondContact O-N 3.45Å; S412-S416 PolarHBondContact O-N 2.93Å
413	S	88.8	Confident	89.5	Confident	13 Å²	13	56.7 Å²	56.7	9%	0.091	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-40.4	176.6	-50.9	0	0	0	0	111.6	S410 S416 L417	S410-S413 WeakPolarHBondContact O-CB 3.39Å; S410-S413 PolarHBondContact O-N 2.67Å; S410-S413 VanDerWaalsContact O-N 3.08Å; S410-S413 PolarHBondContact OG-N 2.9Å; S410-S413 PolarHBondContact OG-OG 3.47Å; S413-S416 WeakPolarHBondContact O-CB 3.49Å; S413-S416 PolarHBondContact O-N 2.89Å; S413-L417 WeakPolarHBondContact O-CG 3.45Å; S413-L417 PolarHBondContact O-N 2.63Å; S413-L417 VanDerWaalsContact O-N 3.13Å
414	M	90.7	Very high	89.8	Confident	18 Å²	18	56.8 Å²	56.8	9%	0.089	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-43	175.4	-67.8	-159.1	66	0	0	112.8	F390 F394 L409 S410 F411 S412 L417 L418	F390-M414 HydrophobicContact CE2-CE 4.32Å; F390-M414 HydrophobicContact CZ-CE 4.03Å; F394-M414 HydrophobicContact CB-CE 3.94Å; F394-M414 HydrophobicContact CD2-CE 3.27Å; F394-M414 HydrophobicContact CD2-SD 3.83Å; F394-M414 HydrophobicContact CE2-CE 4.13Å; F394-M414 HydrophobicContact CE2-SD 4.3Å; F394-M414 HydrophobicContact CG-CE 4.05Å; L409-M414 HydrophobicContact CB-CG 3.92Å; S410-M414 WeakPolarHBondContact O-CG 3.21Å; S410-M414 PolarHBondContact O-N 2.94Å; F411-M414 WeakPolarHBondContact O-CB 3.37Å; F411-M414 PolarHBondContact O-N 3.39Å; S412-M414 VanDerWaalsContact C-N 3.31Å; S412-M414 PolarHBondContact O-N 3.19Å; M414-L417 PolarHBondContact O-N 3.37Å; M414-L418 WeakPolarHBondContact O-CB 3.13Å; M414-L418 PolarHBondContact O-N 2.92Å
415	L	91.3	Very high	90.2	Very high	97 Å²	97	48.9 Å²	48.9	51%	0.508	28%	0.28	S	S	.	.	H	α-helix	trans	-66	-38.6	176.9	-176.2	62.4	0	0	0	111.8	F411 S412 L417 L418 S419	F411-L415 PolarHBondContact O-N 2.95Å; S412-L415 PolarHBondContact O-N 3.45Å; L415-L417 PolarHBondContact O-N 3.13Å; L415-L418 PolarHBondContact O-N 2.69Å; L415-S419 VanDerWaalsContact O-CB 3.26Å; L415-S419 WeakPolarHBondContact O-CB 3.47Å; L415-S419 PolarHBondContact O-N 3Å
416	S	89.7	Confident	90.6	Very high	57 Å²	57	50.9 Å²	50.9	40%	0.399	29%	0.289	S	S	.	.	H	α-helix	trans	-59.1	-45.4	175.2	-178.2	0	0	0	0	111.7	S412 S413 S419 M420	S412-S416 PolarHBondContact O-N 2.93Å; S413-S416 WeakPolarHBondContact O-CB 3.49Å; S413-S416 PolarHBondContact O-N 2.89Å; S416-S419 PolarHBondContact O-N 2.88Å; S416-M420 WeakPolarHBondContact O-CB 3.16Å; S416-M420 PolarHBondContact O-N 2.92Å
417	L	91.2	Very high	91.1	Very high	11 Å²	11	53.1 Å²	53.1	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-64.4	-47.1	176	-65.9	162.7	0	0	0	112.2	F78 L348 L409 S413 M414 L415 S419 M420 F421	F78-L417 HydrophobicContact CE1-CD1 3.74Å; F78-L417 HydrophobicContact CE2-CD1 4.02Å; F78-L417 HydrophobicContact CE2-CD2 3.61Å; F78-L417 HydrophobicContact CE2-CG 4.32Å; F78-L417 HydrophobicContact CZ-CD1 3.16Å; F78-L417 HydrophobicContact CZ-CD2 3.4Å; F78-L417 HydrophobicContact CZ-CG 3.83Å; L348-L417 HydrophobicContact CD1-CD2 4.33Å; L409-L417 HydrophobicContact CD1-CD1 4.25Å; S413-L417 WeakPolarHBondContact O-CG 3.45Å; S413-L417 PolarHBondContact O-N 2.63Å; S413-L417 VanDerWaalsContact O-N 3.13Å; M414-L417 PolarHBondContact O-N 3.37Å; L415-L417 PolarHBondContact O-N 3.13Å; L417-S419 VanDerWaalsContact C-N 3.3Å; L417-S419 PolarHBondContact O-N 3.4Å; L417-M420 WeakPolarHBondContact O-CB 3.34Å; L417-M420 PolarHBondContact O-N 3.36Å; L417-F421 HydrophobicContact CB-CE2 4.39Å; L417-F421 WeakPolarHBondContact O-CD2 3.38Å; L417-F421 PolarHBondContact O-N 2.84Å
418	L	92.2	Very high	91.6	Very high	59 Å²	59	54.2 Å²	54.2	31%	0.309	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-42.2	178.5	-174.5	61.7	0	0	0	111.3	F390 M414 L415 F421 I422	F390-L418 HydrophobicContact CD1-CD1 4.41Å; F390-L418 HydrophobicContact CE1-CD1 4.11Å; F390-L418 HydrophobicContact CE2-CB 3.88Å; F390-L418 HydrophobicContact CE2-CD1 4.21Å; F390-L418 HydrophobicContact CZ-CB 3.93Å; F390-L418 HydrophobicContact CZ-CD1 4.01Å; F390-L418 HydrophobicContact CZ-CD2 4.17Å; F390-L418 HydrophobicContact CZ-CG 4.26Å; M414-L418 WeakPolarHBondContact O-CB 3.13Å; M414-L418 PolarHBondContact O-N 2.92Å; L415-L418 PolarHBondContact O-N 2.69Å; L418-F421 PolarHBondContact O-N 3.08Å; L418-I422 HydrophobicContact CD1-CD1 3.86Å; L418-I422 HydrophobicContact CD1-CG1 4.29Å; L418-I422 HydrophobicContact CD2-CD1 4.41Å; L418-I422 HydrophobicContact CG-CD1 3.77Å; L418-I422 HydrophobicContact CG-CG1 4.47Å; L418-I422 WeakPolarHBondContact O-CB 3.45Å; L418-I422 WeakPolarHBondContact O-CG1 3.46Å; L418-I422 PolarHBondContact O-N 3.16Å
419	S	92.1	Very high	92.1	Very high	59 Å²	59	53.2 Å²	53.2	41%	0.413	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-44.4	174.3	178.2	0	0	0	0	111.5	L415 S416 L417 F421 I422 C423	L415-S419 VanDerWaalsContact O-CB 3.26Å; L415-S419 WeakPolarHBondContact O-CB 3.47Å; L415-S419 PolarHBondContact O-N 3Å; S416-S419 PolarHBondContact O-N 2.88Å; L417-S419 VanDerWaalsContact C-N 3.3Å; L417-S419 PolarHBondContact O-N 3.4Å; S419-F421 VanDerWaalsContact C-N 3.3Å; S419-F421 PolarHBondContact O-N 3.27Å; S419-I422 PolarHBondContact O-N 3.46Å; S419-C423 WeakPolarHBondContact O-CB 3.03Å; S419-C423 PolarHBondContact O-N 3.33Å; S419-C423 PolarHBondContact O-SG 2.98Å; S419-C423 VanDerWaalsContact O-SG 3.36Å
420	M	91.2	Very high	92.5	Very high	24 Å²	24	53.9 Å²	53.9	12%	0.118	30%	0.304	C	S	.	.	H	α-helix	trans	-57.7	-43.2	176.4	-170.7	-172.7	-179.8	0	0	111.6	L348 F349 C352 S416 L417 I424 D425	L348-M420 WeakPolarHBondContact O-CE 3.46Å; F349-M420 VanDerWaalsContact CA-CE 3.48Å; F349-M420 HydrophobicContact CB-CE 4.2Å; F349-M420 HydrophobicContact CD2-CE 4.27Å; C352-M420 HydrophobicContact CB-CE 4.12Å; C352-M420 VanDerWaalsContact SG-CE 3.53Å; S416-M420 WeakPolarHBondContact O-CB 3.16Å; S416-M420 PolarHBondContact O-N 2.92Å; L417-M420 WeakPolarHBondContact O-CB 3.34Å; L417-M420 PolarHBondContact O-N 3.36Å; M420-I424 HydrophobicContact CG-CD1 4.12Å; M420-I424 VanDerWaalsContact O-CB 3.28Å; M420-I424 WeakPolarHBondContact O-CB 3.43Å; M420-I424 PolarHBondContact O-N 3.36Å; M420-D425 PolarHBondContact O-N 2.99Å
421	F	92.4	Very high	92.9	Very high	33 Å²	33	55.3 Å²	55.3	15%	0.145	31%	0.31	C	S	.	.	I	π-helix	trans	-69.4	-44.1	176.8	-66.5	-59.1	0	0	0	113	Y351 P386 L417 L418 S419 D425 I426	Y351-F421 AromaticContact CD1-CE1 3.95Å; Y351-F421 HydrophobicContact CD1-CE1 3.95Å; Y351-F421 HydrophobicContact CE1-CE1 4Å; P386-F421 HydrophobicContact CB-CD1 4.17Å; P386-F421 HydrophobicContact CB-CE1 4.27Å; L417-F421 HydrophobicContact CB-CE2 4.39Å; L417-F421 WeakPolarHBondContact O-CD2 3.38Å; L417-F421 PolarHBondContact O-N 2.84Å; L418-F421 PolarHBondContact O-N 3.08Å; S419-F421 VanDerWaalsContact C-N 3.3Å; S419-F421 PolarHBondContact O-N 3.27Å; F421-D425 HydrophobicContact CD1-CB 4.2Å; F421-D425 WeakPolarHBondContact O-CB 3.46Å; F421-D425 PolarHBondContact O-N 3.38Å; F421-I426 WeakPolarHBondContact O-CG1 3.36Å; F421-I426 PolarHBondContact O-N 3.25Å
422	I	93.5	Very high	93.3	Very high	92 Å²	92	47.5 Å²	47.5	47%	0.472	28%	0.276	S	S	.	.	I	π-helix	trans	-72.4	-38.5	-177.3	-67.2	174.4	0	0	0	112.1	L418 S419 I426 P427	L418-I422 HydrophobicContact CD1-CD1 3.86Å; L418-I422 HydrophobicContact CD1-CG1 4.29Å; L418-I422 HydrophobicContact CD2-CD1 4.41Å; L418-I422 HydrophobicContact CG-CD1 3.77Å; L418-I422 HydrophobicContact CG-CG1 4.47Å; L418-I422 WeakPolarHBondContact O-CB 3.45Å; L418-I422 WeakPolarHBondContact O-CG1 3.46Å; L418-I422 PolarHBondContact O-N 3.16Å; S419-I422 PolarHBondContact O-N 3.46Å; I422-I426 HydrophobicContact CG1-CD1 4.31Å; I422-P427 WeakPolarHBondContact O-CD 3.47Å; I422-P427 WeakPolarHBondContact O-CG 3.49Å
423	C	93.9	Very high	93.8	Very high	83 Å²	83	43.3 Å²	43.3	56%	0.561	25%	0.247	S	C	*	.	I	π-helix	trans	-89	-30.3	-173.7	-62.9	0	0	0	0	113.1	S419	S419-C423 WeakPolarHBondContact O-CB 3.03Å; S419-C423 PolarHBondContact O-N 3.33Å; S419-C423 PolarHBondContact O-SG 2.98Å; S419-C423 VanDerWaalsContact O-SG 3.36Å
424	I	93.7	Very high	94.2	Very high	81 Å²	81	46.4 Å²	46.4	42%	0.415	26%	0.256	S	S	.	.	I	π-helix	trans	-109.7	-60.4	-176.3	-58.4	166.3	0	0	0	110.6	C352 M420 L428	C352-I424 HydrophobicContact CB-CG2 4.07Å; M420-I424 HydrophobicContact CG-CD1 4.12Å; M420-I424 VanDerWaalsContact O-CB 3.28Å; M420-I424 WeakPolarHBondContact O-CB 3.43Å; M420-I424 PolarHBondContact O-N 3.36Å; I424-L428 WeakPolarHBondContact O-CB 3.38Å; I424-L428 PolarHBondContact O-N 3.32Å; I424-L428 VanDerWaalsContact O-N 3.14Å
425	D	95.3	Very high	94.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.277	C	S	.	.	I	π-helix	trans	-66.6	-54.7	-169.9	-173.9	59.3	0	0	0	113.1	Q318 C352 M420 F421 L428 V429	Q318-D425 PolarHBondContact NE2-OD1 3.49Å; C352-D425 HydrophobicContact CB-CB 4.25Å; M420-D425 PolarHBondContact O-N 2.99Å; F421-D425 HydrophobicContact CD1-CB 4.2Å; F421-D425 WeakPolarHBondContact O-CB 3.46Å; F421-D425 PolarHBondContact O-N 3.38Å; D425-L428 PolarHBondContact O-N 2.89Å; D425-V429 WeakPolarHBondContact O-CG2 3.25Å; D425-V429 PolarHBondContact O-N 2.89Å
426	I	95.3	Very high	94.8	Very high	46 Å²	46	46.7 Å²	46.7	24%	0.236	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-50.2	-177.2	-65.8	174.8	0	0	0	111.8	A382 F421 I422 L428 V429 M430	A382-I426 HydrophobicContact CB-CB 4.49Å; A382-I426 HydrophobicContact CB-CG1 4.23Å; A382-I426 HydrophobicContact CB-CG2 4.38Å; F421-I426 WeakPolarHBondContact O-CG1 3.36Å; F421-I426 PolarHBondContact O-N 3.25Å; I422-I426 HydrophobicContact CG1-CD1 4.31Å; I426-L428 VanDerWaalsContact C-N 3.34Å; I426-L428 PolarHBondContact O-N 2.97Å; I426-V429 PolarHBondContact O-N 3.28Å; I426-M430 HydrophobicContact CG2-CG 4.29Å; I426-M430 WeakPolarHBondContact O-CB 3.2Å; I426-M430 WeakPolarHBondContact O-CG 3.3Å; I426-M430 PolarHBondContact O-N 2.9Å
427	P	96	Very high	95.1	Very high	58 Å²	58	45.7 Å²	45.7	38%	0.377	24%	0.242	S	C	.	.	H	α-helix	trans	-62.7	-40.3	178.5	-25.1	37.4	0	0	0	112.2	I422 M430 V431	I422-P427 WeakPolarHBondContact O-CD 3.47Å; I422-P427 WeakPolarHBondContact O-CG 3.49Å; P427-M430 PolarHBondContact O-N 2.86Å; P427-V431 WeakPolarHBondContact O-CB 3.42Å; P427-V431 VanDerWaalsContact O-CG2 3.31Å; P427-V431 WeakPolarHBondContact O-CG2 2.92Å; P427-V431 PolarHBondContact O-N 3.47Å
428	L	96.3	Very high	95.3	Very high	50 Å²	50	52.6 Å²	52.6	26%	0.262	27%	0.267	S	S	.	.	H	α-helix	trans	-63.9	-46.3	-179.9	-169.1	68.7	0	0	0	111.3	C352 F353 L356 I424 D425 I426 M430 A432	C352-L428 VanDerWaalsContact O-CD2 3.31Å; C352-L428 WeakPolarHBondContact O-CD2 3.45Å; F353-L428 WeakPolarHBondContact O-CD2 3.45Å; L356-L428 HydrophobicContact CB-CD1 4.36Å; L356-L428 HydrophobicContact CB-CD2 4.04Å; L356-L428 HydrophobicContact CB-CG 4.09Å; L356-L428 HydrophobicContact CD1-CD1 4.22Å; I424-L428 WeakPolarHBondContact O-CB 3.38Å; I424-L428 PolarHBondContact O-N 3.32Å; I424-L428 VanDerWaalsContact O-N 3.14Å; D425-L428 PolarHBondContact O-N 2.89Å; I426-L428 VanDerWaalsContact C-N 3.34Å; I426-L428 PolarHBondContact O-N 2.97Å; L428-M430 PolarHBondContact O-N 3.13Å; L428-A432 WeakPolarHBondContact O-CB 3.38Å; L428-A432 PolarHBondContact O-N 2.95Å
429	V	97.7	Very high	95.4	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.6	-45.4	175	175.1	0	0	0	0	110.5	G355 T381 A382 D425 I426 A432 F433	G355-V429 WeakPolarHBondContact O-CG2 3.42Å; T381-V429 HydrophobicContact CG2-CG1 4.27Å; A382-V429 HydrophobicContact CB-CB 3.93Å; A382-V429 HydrophobicContact CB-CG1 3.79Å; A382-V429 HydrophobicContact CB-CG2 4.42Å; D425-V429 WeakPolarHBondContact O-CG2 3.25Å; D425-V429 PolarHBondContact O-N 2.89Å; I426-V429 PolarHBondContact O-N 3.28Å; V429-A432 PolarHBondContact O-N 3.48Å; V429-F433 WeakPolarHBondContact O-CB 3.41Å; V429-F433 PolarHBondContact O-N 3.45Å
430	M	96.6	Very high	95.4	Very high	43 Å²	43	58.8 Å²	58.8	21%	0.212	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-46.7	-179.1	-73.1	-68.6	-68.1	0	0	112.8	A378 V379 I426 P427 L428 F433 R434	A378-M430 VanDerWaalsContact C-SD 3.51Å; A378-M430 HydrophobicContact CB-CE 4.11Å; A378-M430 HydrophobicContact CB-SD 3.25Å; A378-M430 WeakPolarHBondContact CB-SD 3.4Å; V379-M430 HydrophobicContact CB-SD 4.45Å; V379-M430 HydrophobicContact CG2-CE 3.87Å; V379-M430 HydrophobicContact CG2-SD 3.66Å; V379-M430 PolarHBondContact N-SD 2.68Å; V379-M430 VanDerWaalsContact N-SD 3.4Å; I426-M430 HydrophobicContact CG2-CG 4.29Å; I426-M430 WeakPolarHBondContact O-CB 3.2Å; I426-M430 WeakPolarHBondContact O-CG 3.3Å; I426-M430 PolarHBondContact O-N 2.9Å; P427-M430 PolarHBondContact O-N 2.86Å; L428-M430 PolarHBondContact O-N 3.13Å; M430-F433 PolarHBondContact O-N 3.41Å; M430-R434 PolarHBondContact O-N 2.78Å; M430-R434 VanDerWaalsContact O-N 3.08Å
431	V	97.2	Very high	95.5	Very high	83 Å²	83	59.6 Å²	59.6	50%	0.503	29%	0.293	S	S	.	.	H	α-helix	trans	-64.5	-46.9	177.6	170.6	0	0	0	0	110.1	P427 F433 R434 F435	P427-V431 WeakPolarHBondContact O-CB 3.42Å; P427-V431 VanDerWaalsContact O-CG2 3.31Å; P427-V431 WeakPolarHBondContact O-CG2 2.92Å; P427-V431 PolarHBondContact O-N 3.47Å; V431-F433 VanDerWaalsContact C-N 3.33Å; V431-F433 PolarHBondContact O-N 2.95Å; V431-R434 WeakPolarHBondContact O-CB 3.3Å; V431-R434 PolarHBondContact O-N 2.77Å; V431-F435 HydrophobicContact CG1-CD2 3.91Å; V431-F435 HydrophobicContact CG1-CE2 3.59Å; V431-F435 WeakPolarHBondContact O-CD2 3.29Å; V431-F435 PolarHBondContact O-N 3.48Å; V431-F435 VanDerWaalsContact O-N 3.14Å
432	A	97.4	Very high	95.4	Very high	2 Å²	2	59.2 Å²	59.2	2%	0.017	29%	0.291	C	S	.	.	H	α-helix	trans	-64.5	-38.2	179.2	0	0	0	0	0	112.6	L356 Y360 L428 V429 R434 F435 G436	L356-A432 HydrophobicContact CD1-CB 3.91Å; L356-A432 WeakPolarHBondContact O-CB 3.32Å; Y360-A432 WeakPolarHBondContact CA-O 3.29Å; L428-A432 WeakPolarHBondContact O-CB 3.38Å; L428-A432 PolarHBondContact O-N 2.95Å; V429-A432 PolarHBondContact O-N 3.48Å; A432-R434 VanDerWaalsContact C-N 3.29Å; A432-R434 PolarHBondContact O-N 3.11Å; A432-F435 PolarHBondContact O-N 3.07Å; A432-F435 VanDerWaalsContact O-N 3.15Å; A432-G436 PolarHBondContact O-N 3.12Å
433	F	98.1	Very high	95.2	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-40.3	174.4	-159.9	-71.5	0	0	0	111.6	V310 G359 A362 G363 Y366 W374 A377 A378 V429 M430 V431 F435 G436 F437	V310-F433 HydrophobicContact CG1-CE2 4.28Å; V310-F433 HydrophobicContact CG1-CZ 4.4Å; G359-F433 WeakPolarHBondContact O-CA 3.16Å; A362-F433 HydrophobicContact CB-CD2 3.94Å; A362-F433 HydrophobicContact CB-CE2 3.68Å; G363-F433 VanDerWaalsContact CA-CE1 3.47Å; Y366-F433 HydrophobicContact CD1-CE1 4.4Å; Y366-F433 HydrophobicContact CD2-CZ 4.27Å; Y366-F433 HydrophobicContact CG-CE1 4.27Å; Y366-F433 AromaticContact CG-CZ 3.96Å; Y366-F433 HydrophobicContact CG-CZ 3.96Å; W374-F433 HydrophobicContact CB-CD1 4.41Å; W374-F433 HydrophobicContact CB-CE1 4.02Å; W374-F433 HydrophobicContact CE3-CD1 4.42Å; A377-F433 HydrophobicContact CB-CE1 4.31Å; A377-F433 HydrophobicContact CB-CE2 4.45Å; A377-F433 HydrophobicContact CB-CZ 3.73Å; A378-F433 HydrophobicContact CB-CB 3.75Å; A378-F433 HydrophobicContact CB-CD1 3.78Å; A378-F433 HydrophobicContact CB-CD2 3.8Å; A378-F433 HydrophobicContact CB-CE1 4.29Å; A378-F433 HydrophobicContact CB-CE2 4.3Å; A378-F433 HydrophobicContact CB-CG 3.51Å; V429-F433 WeakPolarHBondContact O-CB 3.41Å; V429-F433 PolarHBondContact O-N 3.45Å; M430-F433 PolarHBondContact O-N 3.41Å; V431-F433 VanDerWaalsContact C-N 3.33Å; V431-F433 PolarHBondContact O-N 2.95Å; F433-F435 VanDerWaalsContact C-N 3.34Å; F433-F435 PolarHBondContact O-N 3.42Å; F433-G436 PolarHBondContact O-N 2.69Å; F433-F437 WeakPolarHBondContact O-CB 3.47Å; F433-F437 PolarHBondContact O-N 2.99Å
434	R	97.2	Very high	95	Very high	78 Å²	78	58 Å²	58	29%	0.294	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-43.7	174.1	178.6	60.1	178.7	127.2	-9.6	111.8	W374 M430 V431 A432 F437 R438	W374-R434 HydrophobicContact CH2-CB 4.26Å; W374-R434 HydrophobicContact CH2-CG 4.34Å; W374-R434 HydrophobicContact CZ3-CB 4Å; M430-R434 PolarHBondContact O-N 2.78Å; M430-R434 VanDerWaalsContact O-N 3.08Å; V431-R434 WeakPolarHBondContact O-CB 3.3Å; V431-R434 PolarHBondContact O-N 2.77Å; A432-R434 VanDerWaalsContact C-N 3.29Å; A432-R434 PolarHBondContact O-N 3.11Å; R434-F437 PolarHBondContact O-N 3.22Å; R434-R438 VanDerWaalsContact NH2-NE 3.15Å; R434-R438 VanDerWaalsContact NH2-NH2 3.15Å; R434-R438 WeakPolarHBondContact O-CG 3.42Å; R434-R438 PolarHBondContact O-N 3.14Å; R434-R438 VanDerWaalsContact O-N 3.08Å
435	F	97.2	Very high	94.7	Very high	121 Å²	121	56.9 Å²	56.9	53%	0.531	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-43.7	175.5	-76.5	-69.2	0	0	0	112.2	V431 A432 F433 F437 R438 K439	V431-F435 HydrophobicContact CG1-CD2 3.91Å; V431-F435 HydrophobicContact CG1-CE2 3.59Å; V431-F435 WeakPolarHBondContact O-CD2 3.29Å; V431-F435 PolarHBondContact O-N 3.48Å; V431-F435 VanDerWaalsContact O-N 3.14Å; A432-F435 PolarHBondContact O-N 3.07Å; A432-F435 VanDerWaalsContact O-N 3.15Å; F433-F435 VanDerWaalsContact C-N 3.34Å; F433-F435 PolarHBondContact O-N 3.42Å; F435-F437 VanDerWaalsContact C-N 3.32Å; F435-F437 PolarHBondContact O-N 3.39Å; F435-R438 PolarHBondContact O-N 2.98Å; F435-R438 VanDerWaalsContact O-N 3.13Å; F435-K439 PolarHBondContact O-N 3.49Å; F435-K439 VanDerWaalsContact O-N 3.14Å
436	G	96.3	Very high	94.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.9	-43.9	174	0	0	0	0	0	112.7	Y360 R364 A432 F433 R438 K439	Y360-G436 VanDerWaalsContact O-CA 3.24Å; Y360-G436 WeakPolarHBondContact O-CA 3.31Å; R364-G436 WeakPolarHBondContact CA-O 3.34Å; A432-G436 PolarHBondContact O-N 3.12Å; F433-G436 PolarHBondContact O-N 2.69Å; G436-R438 VanDerWaalsContact C-N 3.33Å; G436-R438 PolarHBondContact O-N 3.44Å; G436-K439 WeakPolarHBondContact O-CB 3.37Å; G436-K439 PolarHBondContact O-N 3.33Å
437	F	95.7	Very high	94	Very high	37 Å²	37	66.5 Å²	66.5	16%	0.162	32%	0.317	C	S	.	.	H	α-helix	trans	-70.2	-25.9	177.6	-169.3	-99.5	0	0	0	113.3	Y366 K367 L371 W374 F433 R434 F435	Y366-F437 HydrophobicContact CD1-CD2 4.09Å; Y366-F437 AromaticContact CD1-CE2 3.91Å; Y366-F437 HydrophobicContact CD1-CE2 3.91Å; Y366-F437 HydrophobicContact CE1-CE2 4.45Å; K367-F437 HydrophobicContact CB-CD2 3.87Å; K367-F437 HydrophobicContact CB-CE2 4.01Å; K367-F437 VanDerWaalsContact CD-O 3.26Å; K367-F437 WeakPolarHBondContact CD-O 3.43Å; K367-F437 WeakPolarHBondContact CE-O 3.45Å; K367-F437 HydrophobicContact CG-CD2 4.32Å; K367-F437 HydrophobicContact CG-CE2 4.16Å; K367-F437 PolarHBondContact NZ-O 3.37Å; L371-F437 WeakPolarHBondContact O-CE2 3.34Å; W374-F437 HydrophobicContact CB-CD1 4.34Å; W374-F437 HydrophobicContact CB-CD2 4.04Å; W374-F437 HydrophobicContact CB-CE2 4.24Å; W374-F437 HydrophobicContact CB-CG 4.09Å; W374-F437 HydrophobicContact CB-CZ 4.48Å; W374-F437 HydrophobicContact CG-CD1 4.32Å; W374-F437 HydrophobicContact CG-CG 4.48Å; F433-F437 WeakPolarHBondContact O-CB 3.47Å; F433-F437 PolarHBondContact O-N 2.99Å; R434-F437 PolarHBondContact O-N 3.22Å; F435-F437 VanDerWaalsContact C-N 3.32Å; F435-F437 PolarHBondContact O-N 3.39Å
438	R	95.3	Very high	93.7	Very high	155 Å²	155	65.7 Å²	65.7	59%	0.585	31%	0.311	S	S	*	.	H	α-helix	trans	-73.3	-31.5	171.8	-75.9	-173	165.1	162.4	-4.3	112	K367 R434 F435 G436	K367-R438 PolarHBondContact NZ-O 3.41Å; R434-R438 VanDerWaalsContact NH2-NE 3.15Å; R434-R438 VanDerWaalsContact NH2-NH2 3.15Å; R434-R438 WeakPolarHBondContact O-CG 3.42Å; R434-R438 PolarHBondContact O-N 3.14Å; R434-R438 VanDerWaalsContact O-N 3.08Å; F435-R438 PolarHBondContact O-N 2.98Å; F435-R438 VanDerWaalsContact O-N 3.13Å; G436-R438 VanDerWaalsContact C-N 3.33Å; G436-R438 PolarHBondContact O-N 3.44Å
439	K	94.8	Very high	93.4	Very high	109 Å²	109	67.7 Å²	67.7	47%	0.474	32%	0.322	S	S	.	.	S	Bend	trans	-61.4	154.6	179.3	-164.3	62.6	176.2	-176.6	0	111.4	K367 F435 G436	K367-K439 WeakPolarHBondContact CD-O 3.48Å; K367-K439 PolarHBondContact NZ-O 3.4Å; F435-K439 PolarHBondContact O-N 3.49Å; F435-K439 VanDerWaalsContact O-N 3.14Å; G436-K439 WeakPolarHBondContact O-CB 3.37Å; G436-K439 PolarHBondContact O-N 3.33Å
440	Q	92.8	Very high	93	Very high	140 Å²	140	76.7 Å²	76.7	65%	0.654	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-58	135.6	172.8	-68.4	-65	-4.6	0	0	110	R364	R364-Q440 PolarHBondContact NE-O 3.22Å; R364-Q440 VanDerWaalsContact NE-O 3.15Å
441	P	92.4	Very high	92.7	Very high	40 Å²	40	81.3 Å²	81.3	26%	0.26	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-60.4	158	175.5	28.5	-32.4	0	0	0	109.4	K367 V443	K367-P441 HydrophobicContact CD-CB 4.23Å; K367-P441 HydrophobicContact CD-CG 4.43Å; K367-P441 HydrophobicContact CG-CB 4.23Å; P441-V443 PolarHBondContact O-N 3.22Å; P441-V443 VanDerWaalsContact O-N 3.13Å
442	Y	91.9	Very high	92.4	Very high	25 Å²	25	80.4 Å²	80.4	10%	0.098	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-57.2	120	167	-63.1	-77	0	0	0	109.3	R364 T368 N444 Y594	R364-Y442 HydrophobicContact CB-CE2 4.27Å; R364-Y442 HydrophobicContact CG-CD2 4.17Å; R364-Y442 HydrophobicContact CG-CE2 3.77Å; R364-Y442 VanDerWaalsContact CZ-CE1 3.41Å; R364-Y442 VanDerWaalsContact NH1-CE1 3.34Å; T368-Y442 WeakPolarHBondContact OG1-CB 3.23Å; T368-Y442 WeakPolarHBondContact OG1-CD2 3.11Å; T368-Y442 PolarHBondContact OG1-N 3.32Å; Y442-N444 PolarHBondContact O-N 3.42Å; Y442-Y594 WeakPolarHBondContact CB-OH 3.32Å; Y442-Y594 HydrophobicContact CD1-CE1 4.28Å; Y442-Y594 HydrophobicContact CD2-CE1 4.09Å; Y442-Y594 AromaticContact CG-CE1 3.92Å; Y442-Y594 HydrophobicContact CG-CE1 3.92Å
443	V	88	Confident	91.9	Very high	110 Å²	110	85.3 Å²	85.3	67%	0.667	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-73.5	117.4	176.6	-176.9	0	0	0	0	107.6	P441 R598	P441-V443 PolarHBondContact O-N 3.22Å; P441-V443 VanDerWaalsContact O-N 3.13Å; V443-R598 PolarHBondContact O-NE 3.23Å; V443-R598 PolarHBondContact O-NH2 3.01Å
444	N	89.4	Confident	91.5	Very high	41 Å²	41	93.9 Å²	93.9	22%	0.219	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-83.7	134.9	173.6	-63.3	-27.8	0	0	0	108.2	F300 Y442 V446 Y594	F300-N444 HydrophobicContact CB-CB 4.16Å; F300-N444 HydrophobicContact CD1-CB 3.96Å; F300-N444 HydrophobicContact CD2-CB 3.71Å; F300-N444 HydrophobicContact CE1-CB 4.33Å; F300-N444 HydrophobicContact CE2-CB 4.12Å; F300-N444 HydrophobicContact CG-CB 3.66Å; F300-N444 HydrophobicContact CZ-CB 4.42Å; Y442-N444 PolarHBondContact O-N 3.42Å; N444-V446 VanDerWaalsContact C-N 3.27Å; N444-V446 PolarHBondContact O-N 2.91Å; N444-Y594 PolarHBondContact OD1-OH 3.28Å; N444-Y594 VanDerWaalsContact OD1-OH 3.11Å
445	P	87.4	Confident	91.2	Very high	56 Å²	56	92.4 Å²	92.4	36%	0.364	44%	0.442	S	S	.	.	S	Bend	trans	-65.8	-29.4	-175.1	25.6	-35.3	0	0	0	113.3	F300	F300-P445 HydrophobicContact CE2-CG 3.73Å; F300-P445 HydrophobicContact CZ-CG 3.86Å
446	V	88.3	Confident	90.9	Very high	22 Å²	22	89.4 Å²	89.4	13%	0.133	44%	0.435	C	S	.	.	S	Bend	trans	-119.4	143.6	-174.3	-174.3	0	0	0	0	110.1	H296 F300 N444 Y601 I606	H296-V446 HydrophobicContact CB-CG1 4.1Å; H296-V446 WeakPolarHBondContact O-CG1 3.23Å; F300-V446 HydrophobicContact CE2-CB 4.43Å; N444-V446 VanDerWaalsContact C-N 3.27Å; N444-V446 PolarHBondContact O-N 2.91Å; V446-Y601 HydrophobicContact CG2-CD1 4.48Å; V446-I606 HydrophobicContact CG1-CD1 4.4Å; V446-I606 HydrophobicContact CG2-CD1 4.39Å
447	R	88.6	Confident	90.6	Very high	227 Å²	227	98.8 Å²	98.8	86%	0.857	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-76.4	152.8	175.1	-67.9	-176.1	179.8	-177.3	2.7	110.5
448	T	89.2	Confident	90.2	Very high	40 Å²	40	99.5 Å²	99.5	25%	0.245	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-94.5	133.4	178.9	35.2	0	0	0	0	110.6	G297 F300	G297-T448 CarbonylContact O-C 3.58Å; G297-T448 WeakPolarHBondContact O-CA 3.49Å; F300-T448 HydrophobicContact CB-CG2 4.01Å
449	N	89.8	Confident	89.9	Confident	92 Å²	92	94.2 Å²	94.2	49%	0.492	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-69.6	153.2	173.9	-73	-15.1	0	0	0	110.5	G297 R301	G297-N449 PolarHBondContact O-N 3.37Å; R301-N449 PolarHBondContact NH2-O 3.41Å
450	Q	88.8	Confident	89.6	Confident	189 Å²	189	94 Å²	94	88%	0.883	48%	0.476	S	S	*	.	S	Bend	trans	-69.1	-44.9	180	-66.9	-175.7	-2.9	0	0	111.4
451	I	90.5	Very high	89.3	Confident	140 Å²	140	94 Å²	94	72%	0.718	47%	0.471	S	S	*	.	S	Bend	trans	-94.5	126.9	-177.3	-56.9	171.3	0	0	0	109.3
452	P	90.5	Very high	89.1	Confident	65 Å²	65	92.3 Å²	92.3	42%	0.422	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-73.9	135.2	174.3	30.2	-32.6	0	0	0	111.3	D298	D298-P452 WeakPolarHBondContact OD1-CA 3.46Å
453	R	88.4	Confident	89.1	Confident	105 Å²	105	95 Å²	95	40%	0.396	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-67.3	148.2	171	-172.7	-179.7	164.5	120.9	-6.3	111	L294 D298 E528 Y530	L294-R453 VanDerWaalsContact CG-NH1 3.26Å; D298-R453 WeakPolarHBondContact OD2-CB 3.33Å; D298-R453 PolarHBondContact OD2-N 2.88Å; R453-E528 IonicContact CZ-OE2 3.75Å; R453-E528 IonicContact NE-OE2 3.86Å; R453-E528 IonicContact NH2-OE2 3.93Å; R453-E528 PolarHBondContact NH2-OE2 3.3Å; R453-Y530 WeakPolarHBondContact O-CE1 3.33Å
454	Q	89.5	Confident	89.2	Confident	180 Å²	180	91.9 Å²	91.9	84%	0.841	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-71.6	131.7	170.7	-66.6	179.7	-5.7	0	0	110.2
455	V	90.3	Very high	89.3	Confident	47 Å²	47	95.8 Å²	95.8	29%	0.285	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-81.1	127.6	177.7	178.8	0	0	0	0	108.6	Q458 N529 Y530	V455-Q458 HydrophobicContact CG1-CG 4.33Å; V455-N529 HydrophobicContact CG1-CB 3.78Å; V455-Y530 HydrophobicContact CG2-CD1 3.93Å; V455-Y530 HydrophobicContact CG2-CE1 3.48Å; V455-Y530 VanDerWaalsContact CG2-CE1 3.48Å
456	P	90.8	Very high	89.6	Confident	58 Å²	58	97.6 Å²	97.6	38%	0.377	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-67	164.9	178.3	28.7	-35	0	0	0	111.5	Q458 E528	P456-Q458 PolarHBondContact O-N 3.22Å; P456-Q458 PolarHBondContact O-NE2 3.08Å; P456-E528 HydrophobicContact CG-CB 3.85Å
457	E	89.3	Confident	89.7	Confident	197 Å²	197	96.8 Å²	96.8	92%	0.921	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-55	128.2	175.8	-65.6	-172.1	172.3	0	0	111
458	Q	88.7	Confident	89.8	Confident	51 Å²	51	86.9 Å²	86.9	24%	0.238	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-93.5	137.8	-173.1	-62.7	-66.4	-69.9	0	0	109.9	V455 P456 A527 N529	V455-Q458 HydrophobicContact CG1-CG 4.33Å; P456-Q458 PolarHBondContact O-N 3.22Å; P456-Q458 PolarHBondContact O-NE2 3.08Å; Q458-A527 PolarHBondContact NE2-O 3.48Å; Q458-N529 PolarHBondContact OE1-ND2 3.49Å
459	P	88.8	Confident	89.9	Confident	45 Å²	45	88.7 Å²	88.7	29%	0.292	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-64	150.8	174.2	29.9	-36.3	0	0	0	110.6	Y461 L462	P459-Y461 VanDerWaalsContact C-N 3.26Å; P459-Y461 HydrophobicContact CB-CD1 3.81Å; P459-Y461 HydrophobicContact CB-CE1 3.39Å; P459-Y461 HydrophobicContact CG-CD1 4.2Å; P459-Y461 HydrophobicContact CG-CE1 3.56Å; P459-Y461 HydrophobicContact CG-CE2 4.21Å; P459-Y461 PolarHBondContact O-N 3.42Å; P459-Y461 VanDerWaalsContact O-N 3.14Å; P459-L462 HydrophobicContact CG-CB 4.19Å; P459-L462 HydrophobicContact CG-CD1 3.67Å; P459-L462 HydrophobicContact CG-CG 3.88Å; P459-L462 PolarHBondContact O-N 3.4Å
460	V	89.1	Confident	89.9	Confident	103 Å²	103	91 Å²	91	62%	0.624	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-55.8	-38.4	-171.1	-177.8	0	0	0	0	112.8	L462 N463 F466	V460-L462 PolarHBondContact O-N 3.02Å; V460-N463 WeakPolarHBondContact O-CB 3.5Å; V460-N463 PolarHBondContact O-N 3.28Å; V460-F466 HydrophobicContact CG1-CD2 3.66Å; V460-F466 HydrophobicContact CG1-CE2 3.56Å; V460-F466 HydrophobicContact CG1-CZ 4.33Å; V460-F466 WeakPolarHBondContact O-CD2 3.24Å
461	Y	85.4	Confident	89.9	Confident	142 Å²	142	82.2 Å²	82.2	56%	0.557	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-66.8	-19.9	179.8	66.6	-95.5	0	0	0	113.7	P459	P459-Y461 VanDerWaalsContact C-N 3.26Å; P459-Y461 HydrophobicContact CB-CD1 3.81Å; P459-Y461 HydrophobicContact CB-CE1 3.39Å; P459-Y461 HydrophobicContact CG-CD1 4.2Å; P459-Y461 HydrophobicContact CG-CE1 3.56Å; P459-Y461 HydrophobicContact CG-CE2 4.21Å; P459-Y461 PolarHBondContact O-N 3.42Å; P459-Y461 VanDerWaalsContact O-N 3.14Å
462	L	88.1	Confident	90	Very high	3 Å²	3	75.6 Å²	75.6	2%	0.016	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-90.9	2.9	173.7	-66.8	-178.3	0	0	0	113.3	P459 V460 F523 A527 R535	P459-L462 HydrophobicContact CG-CB 4.19Å; P459-L462 HydrophobicContact CG-CD1 3.67Å; P459-L462 HydrophobicContact CG-CG 3.88Å; P459-L462 PolarHBondContact O-N 3.4Å; V460-L462 PolarHBondContact O-N 3.02Å; L462-F523 HydrophobicContact CD2-CB 3.93Å; L462-A527 HydrophobicContact CD1-CB 3.39Å; L462-R535 PolarHBondContact O-NH1 2.78Å
463	N	91.8	Very high	90	Very high	81 Å²	81	75.3 Å²	75.3	43%	0.433	37%	0.369	S	S	.	.	S	Bend	trans	-62	141.7	166.1	-167.2	-34.8	0	0	0	109.2	V460 M465 F466 S467	V460-N463 WeakPolarHBondContact O-CB 3.5Å; V460-N463 PolarHBondContact O-N 3.28Å; N463-M465 VanDerWaalsContact C-N 3.26Å; N463-M465 PolarHBondContact O-N 2.84Å; N463-M465 PolarHBondContact OD1-N 3.47Å; N463-F466 HydrophobicContact CB-CD2 3.9Å; N463-F466 PolarHBondContact O-N 2.99Å; N463-S467 WeakPolarHBondContact O-CB 3.47Å; N463-S467 PolarHBondContact O-N 3.04Å; N463-S467 PolarHBondContact O-OG 2.83Å
464	L	91.1	Very high	90	Very high	46 Å²	46	72 Å²	72	24%	0.241	36%	0.359	C	S	.	.	H	α-helix	trans	-54.6	-42.6	-178.8	178.5	60.6	0	0	0	111.9	S467 M468 R535 F538	L464-S467 WeakPolarHBondContact CA-OG 3.48Å; L464-S467 PolarHBondContact O-OG 3.32Å; L464-S467 VanDerWaalsContact O-OG 3.05Å; L464-M468 HydrophobicContact CD1-CE 4.39Å; L464-M468 HydrophobicContact CD1-CG 4.04Å; L464-M468 HydrophobicContact CD1-SD 4.04Å; L464-M468 HydrophobicContact CG-CE 3.95Å; L464-M468 HydrophobicContact CG-SD 4.22Å; L464-M468 WeakPolarHBondContact O-CB 3.48Å; L464-M468 WeakPolarHBondContact O-CG 3.43Å; L464-M468 PolarHBondContact O-N 3.44Å; L464-R535 HydrophobicContact CD1-CG 4.31Å; L464-F538 HydrophobicContact CD1-CB 4.01Å
465	M	91.7	Very high	90	Very high	122 Å²	122	63.6 Å²	63.6	60%	0.601	32%	0.321	S	S	*	.	H	α-helix	trans	-67.4	-49	-177.6	-64.7	-58.5	-176.8	0	0	112.3	N463 M468 L469	N463-M465 VanDerWaalsContact C-N 3.26Å; N463-M465 PolarHBondContact O-N 2.84Å; N463-M465 PolarHBondContact OD1-N 3.47Å; M465-M468 PolarHBondContact O-N 2.73Å; M465-M468 HydrophobicContact SD-CE 3.41Å; M465-M468 WeakPolarHBondContact SD-CE 3.5Å; M465-L469 WeakPolarHBondContact O-CG 3.32Å; M465-L469 PolarHBondContact O-N 3.41Å
466	F	91.9	Very high	90.1	Very high	94 Å²	94	62.3 Å²	62.3	41%	0.412	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-43.8	178.3	-69.6	-64.6	0	0	0	111.7	V460 N463 M468 L469 F470	V460-F466 HydrophobicContact CG1-CD2 3.66Å; V460-F466 HydrophobicContact CG1-CE2 3.56Å; V460-F466 HydrophobicContact CG1-CZ 4.33Å; V460-F466 WeakPolarHBondContact O-CD2 3.24Å; N463-F466 HydrophobicContact CB-CD2 3.9Å; N463-F466 PolarHBondContact O-N 2.99Å; F466-M468 VanDerWaalsContact C-N 3.35Å; F466-M468 PolarHBondContact O-N 3.39Å; F466-L469 PolarHBondContact O-N 3.18Å; F466-F470 WeakPolarHBondContact O-CD2 3.47Å; F466-F470 PolarHBondContact O-N 3.01Å; F466-F470 VanDerWaalsContact O-N 3.12Å
467	S	90.7	Very high	90	Very high	5 Å²	5	63.4 Å²	63.4	4%	0.035	31%	0.314	C	S	.	.	H	α-helix	trans	-62.9	-38.9	178.1	56.5	0	0	0	0	112.5	N463 L464 A471	N463-S467 WeakPolarHBondContact O-CB 3.47Å; N463-S467 PolarHBondContact O-N 3.04Å; N463-S467 PolarHBondContact O-OG 2.83Å; L464-S467 WeakPolarHBondContact CA-OG 3.48Å; L464-S467 PolarHBondContact O-OG 3.32Å; L464-S467 VanDerWaalsContact O-OG 3.05Å; S467-A471 WeakPolarHBondContact O-CB 3Å; S467-A471 PolarHBondContact O-N 3.3Å
468	M	91.9	Very high	89.9	Confident	20 Å²	20	54.1 Å²	54.1	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-45.3	174.4	-77.1	-174	-53.7	0	0	112.3	L464 M465 F466 G472 F538 S542	L464-M468 HydrophobicContact CD1-CE 4.39Å; L464-M468 HydrophobicContact CD1-CG 4.04Å; L464-M468 HydrophobicContact CD1-SD 4.04Å; L464-M468 HydrophobicContact CG-CE 3.95Å; L464-M468 HydrophobicContact CG-SD 4.22Å; L464-M468 WeakPolarHBondContact O-CB 3.48Å; L464-M468 WeakPolarHBondContact O-CG 3.43Å; L464-M468 PolarHBondContact O-N 3.44Å; M465-M468 PolarHBondContact O-N 2.73Å; M465-M468 HydrophobicContact SD-CE 3.41Å; M465-M468 WeakPolarHBondContact SD-CE 3.5Å; F466-M468 VanDerWaalsContact C-N 3.35Å; F466-M468 PolarHBondContact O-N 3.39Å; M468-G472 PolarHBondContact O-N 3Å; M468-F538 HydrophobicContact CG-CB 4.43Å; M468-F538 HydrophobicContact SD-CB 3.78Å; M468-F538 HydrophobicContact SD-CD1 4.04Å; M468-F538 HydrophobicContact SD-CG 4.26Å; M468-S542 WeakPolarHBondContact O-CB 3.36Å; M468-S542 PolarHBondContact O-OG 3.16Å
469	L	91.2	Very high	89.9	Confident	78 Å²	78	52.3 Å²	52.3	41%	0.408	26%	0.263	S	S	.	.	H	α-helix	trans	-59.8	-54.2	179	-68	171.6	0	0	0	110.4	M465 F466 A471 Y546	M465-L469 WeakPolarHBondContact O-CG 3.32Å; M465-L469 PolarHBondContact O-N 3.41Å; F466-L469 PolarHBondContact O-N 3.18Å; L469-A471 PolarHBondContact O-N 3.13Å; L469-Y546 WeakPolarHBondContact O-CE2 3.02Å; L469-Y546 PolarHBondContact O-OH 2.8Å
470	F	89.8	Confident	89.9	Confident	140 Å²	140	53.3 Å²	53.3	61%	0.614	26%	0.263	S	S	*	.	H	α-helix	trans	-70.3	-36.4	-176.4	-68.2	-68.7	0	0	0	114.2	F466 G472 I473	F466-F470 WeakPolarHBondContact O-CD2 3.47Å; F466-F470 PolarHBondContact O-N 3.01Å; F466-F470 VanDerWaalsContact O-N 3.12Å; F470-G472 VanDerWaalsContact C-N 3.33Å; F470-G472 PolarHBondContact O-N 3.4Å; F470-I473 HydrophobicContact CD1-CD1 4.38Å
471	A	89.2	Confident	89.7	Confident	5 Å²	5	49.8 Å²	49.8	4%	0.041	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-35.9	-178.7	0	0	0	0	0	112.7	S467 L469 I473 P475 V516 I520 I539	S467-A471 WeakPolarHBondContact O-CB 3Å; S467-A471 PolarHBondContact O-N 3.3Å; L469-A471 PolarHBondContact O-N 3.13Å; A471-I473 PolarHBondContact O-N 3.33Å; A471-P475 WeakPolarHBondContact O-CD 3.37Å; A471-V516 HydrophobicContact CB-CG1 3.57Å; A471-I520 HydrophobicContact CB-CG1 4.3Å; A471-I539 HydrophobicContact CB-CG2 3.74Å
472	G	91.3	Very high	89.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-74.1	-21.6	-174.4	0	0	0	0	0	114.8	M468 F470 F476 S542	M468-G472 PolarHBondContact O-N 3Å; F470-G472 VanDerWaalsContact C-N 3.33Å; F470-G472 PolarHBondContact O-N 3.4Å; G472-F476 WeakPolarHBondContact O-CB 3.44Å; G472-F476 PolarHBondContact O-N 3.33Å; G472-F476 VanDerWaalsContact O-N 3.12Å; G472-S542 WeakPolarHBondContact CA-OG 2.99Å; G472-S542 PolarHBondContact N-OG 2.92Å; G472-S542 VanDerWaalsContact N-OG 3.14Å
473	I	91.7	Very high	89.9	Confident	60 Å²	60	43.9 Å²	43.9	31%	0.308	22%	0.218	S	C	.	.	H	α-helix	trans	-62.1	-49	-174	-64.3	170.5	0	0	0	111.1	F470 A471 F476 L477 Y546	F470-I473 HydrophobicContact CD1-CD1 4.38Å; A471-I473 PolarHBondContact O-N 3.33Å; I473-F476 WeakPolarHBondContact O-CB 3.5Å; I473-F476 PolarHBondContact O-N 3.4Å; I473-L477 HydrophobicContact CG2-CD1 3.95Å; I473-L477 HydrophobicContact CG2-CG 4.3Å; I473-L477 WeakPolarHBondContact O-CG 3.14Å; I473-L477 PolarHBondContact O-N 2.73Å; I473-Y546 HydrophobicContact CG1-CE1 3.86Å; I473-Y546 HydrophobicContact CG1-CE2 3.86Å; I473-Y546 VanDerWaalsContact CG1-OH 3.23Å; I473-Y546 WeakPolarHBondContact CG1-OH 2.97Å
474	V	87.1	Confident	89.7	Confident	34 Å²	34	43 Å²	43	21%	0.206	21%	0.211	C	C	.	.	H	α-helix	trans	-68.8	-48.5	-171.4	-168.7	0	0	0	0	111.9	T254 F257 L258 F476 L477 A478	T254-V474 HydrophobicContact CG2-CG1 3.51Å; T254-V474 WeakPolarHBondContact CG2-O 3.21Å; F257-V474 HydrophobicContact CD1-CG1 4.34Å; L258-V474 HydrophobicContact CD1-CB 4.47Å; L258-V474 HydrophobicContact CD1-CG1 3.75Å; L258-V474 HydrophobicContact CD2-CB 4.05Å; L258-V474 HydrophobicContact CD2-CG1 3.56Å; L258-V474 HydrophobicContact CG-CB 4.49Å; L258-V474 HydrophobicContact CG-CG1 3.58Å; V474-F476 VanDerWaalsContact C-N 3.28Å; V474-F476 PolarHBondContact O-N 3.42Å; V474-L477 PolarHBondContact O-N 2.71Å; V474-A478 PolarHBondContact O-N 2.96Å
475	P	90.6	Very high	89.4	Confident	4 Å²	4	42 Å²	42	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-61.5	-34.9	173.6	-24.3	37.1	0	0	0	113	A471 A478 V479 T513 V516 Q543	A471-P475 WeakPolarHBondContact O-CD 3.37Å; P475-A478 WeakPolarHBondContact O-CB 3.44Å; P475-A478 PolarHBondContact O-N 3Å; P475-V479 PolarHBondContact O-N 3.28Å; P475-T513 HydrophobicContact CB-CG2 4.17Å; P475-V516 HydrophobicContact CG-CB 4.4Å; P475-V516 HydrophobicContact CG-CG2 3.87Å; P475-Q543 HydrophobicContact CB-CB 4.31Å; P475-Q543 HydrophobicContact CB-CG 4.5Å
476	F	92.3	Very high	89.3	Confident	21 Å²	21	39.1 Å²	39.1	9%	0.092	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-44.7	174.6	170.3	-103	0	0	0	112.5	G472 I473 V474 A478 V479 F480 L483 Q543 Y546 V547 Y550	G472-F476 WeakPolarHBondContact O-CB 3.44Å; G472-F476 PolarHBondContact O-N 3.33Å; G472-F476 VanDerWaalsContact O-N 3.12Å; I473-F476 WeakPolarHBondContact O-CB 3.5Å; I473-F476 PolarHBondContact O-N 3.4Å; V474-F476 VanDerWaalsContact C-N 3.28Å; V474-F476 PolarHBondContact O-N 3.42Å; F476-A478 PolarHBondContact O-N 2.76Å; F476-V479 VanDerWaalsContact O-CG2 3.3Å; F476-V479 WeakPolarHBondContact O-CG2 3.48Å; F476-V479 PolarHBondContact O-N 2.92Å; F476-F480 AromaticContact CE1-CD2 3.86Å; F476-F480 HydrophobicContact CE1-CD2 3.86Å; F476-F480 HydrophobicContact CE2-CD2 4.43Å; F476-F480 AromaticContact CZ-CD2 3.59Å; F476-F480 HydrophobicContact CZ-CD2 3.59Å; F476-F480 HydrophobicContact CZ-CE2 4.28Å; F476-F480 PolarHBondContact O-N 3.45Å; F476-L483 HydrophobicContact CE2-CD2 3.96Å; F476-Q543 HydrophobicContact CB-CB 4.29Å; F476-Y546 HydrophobicContact CB-CD2 4.47Å; F476-Y546 HydrophobicContact CB-CG 4.25Å; F476-Y546 HydrophobicContact CD1-CD1 4.45Å; F476-Y546 HydrophobicContact CD1-CG 4.23Å; F476-Y546 WeakPolarHBondContact CE2-O 3.18Å; F476-Y546 HydrophobicContact CG-CG 4.1Å; F476-V547 HydrophobicContact CD2-CG2 4.22Å; F476-V547 HydrophobicContact CE2-CG2 4.47Å; F476-Y550 HydrophobicContact CZ-CD2 4.46Å; F476-Y550 HydrophobicContact CZ-CG 4.32Å
477	L	88.6	Confident	89.2	Confident	81 Å²	81	34.7 Å²	34.7	42%	0.424	17%	0.171	S	C	.	.	H	α-helix	trans	-59.6	-32.6	176.9	-74.2	174.2	0	0	0	112.2	N250 I473 V474 V479	N250-L477 PolarHBondContact ND2-O 2.78Å; I473-L477 HydrophobicContact CG2-CD1 3.95Å; I473-L477 HydrophobicContact CG2-CG 4.3Å; I473-L477 WeakPolarHBondContact O-CG 3.14Å; I473-L477 PolarHBondContact O-N 2.73Å; V474-L477 PolarHBondContact O-N 2.71Å; L477-V479 VanDerWaalsContact C-N 3.3Å; L477-V479 PolarHBondContact O-N 2.94Å
478	A	86.6	Confident	89	Confident	1 Å²	1	35 Å²	35	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-65.8	-30.6	175.4	0	0	0	0	0	113	S251 T254 V474 P475 F476 I508	S251-A478 PolarHBondContact OG-O 3.21Å; T254-A478 HydrophobicContact CG2-CB 3.85Å; V474-A478 PolarHBondContact O-N 2.96Å; P475-A478 WeakPolarHBondContact O-CB 3.44Å; P475-A478 PolarHBondContact O-N 3Å; F476-A478 PolarHBondContact O-N 2.76Å; A478-I508 HydrophobicContact CB-CG2 3.9Å
479	V	89.2	Confident	88.7	Confident	14 Å²	14	35.2 Å²	35.2	9%	0.085	18%	0.178	C	C	.	.	H	α-helix	trans	-104	-8	-177.3	-61.8	0	0	0	0	114.2	P475 F476 L477 L481 E482 L483 V505 L509	P475-V479 PolarHBondContact O-N 3.28Å; F476-V479 VanDerWaalsContact O-CG2 3.3Å; F476-V479 WeakPolarHBondContact O-CG2 3.48Å; F476-V479 PolarHBondContact O-N 2.92Å; L477-V479 VanDerWaalsContact C-N 3.3Å; L477-V479 PolarHBondContact O-N 2.94Å; V479-L481 VanDerWaalsContact C-N 3.35Å; V479-L481 PolarHBondContact O-N 3.38Å; V479-E482 PolarHBondContact O-N 3.03Å; V479-L483 WeakPolarHBondContact O-CB 3.49Å; V479-L483 PolarHBondContact O-N 3.44Å; V479-V505 HydrophobicContact CB-CG1 4.37Å; V479-V505 HydrophobicContact CG1-CG1 3.88Å; V479-L509 HydrophobicContact CG1-CB 3.97Å; V479-L509 HydrophobicContact CG1-CD1 3.66Å; V479-L509 HydrophobicContact CG1-CD2 4.36Å; V479-L509 HydrophobicContact CG1-CG 4.21Å
480	F	88.5	Confident	88.4	Confident	66 Å²	66	35 Å²	35	29%	0.289	18%	0.176	S	C	.	.	H	α-helix	trans	-52.5	-45.8	-171.7	173.9	-103.9	0	0	0	114.2	F476 L483 F484 Y550	F476-F480 AromaticContact CE1-CD2 3.86Å; F476-F480 HydrophobicContact CE1-CD2 3.86Å; F476-F480 HydrophobicContact CE2-CD2 4.43Å; F476-F480 AromaticContact CZ-CD2 3.59Å; F476-F480 HydrophobicContact CZ-CD2 3.59Å; F476-F480 HydrophobicContact CZ-CE2 4.28Å; F476-F480 PolarHBondContact O-N 3.45Å; F480-L483 WeakPolarHBondContact O-CB 3.23Å; F480-L483 PolarHBondContact O-N 3.43Å; F480-F484 PolarHBondContact O-N 2.93Å; F480-F484 VanDerWaalsContact O-N 3.13Å; F480-Y550 HydrophobicContact CD2-CD2 4.07Å; F480-Y550 HydrophobicContact CD2-CE2 4.01Å; F480-Y550 AromaticContact CE2-CD2 3.46Å; F480-Y550 HydrophobicContact CE2-CD2 3.46Å; F480-Y550 VanDerWaalsContact CE2-CD2 3.46Å; F480-Y550 AromaticContact CE2-CE2 3.19Å; F480-Y550 HydrophobicContact CE2-CE2 3.19Å; F480-Y550 HydrophobicContact CE2-CG 4.43Å; F480-Y550 HydrophobicContact CZ-CD2 4.42Å; F480-Y550 AromaticContact CZ-CE2 3.79Å; F480-Y550 HydrophobicContact CZ-CE2 3.79Å
481	L	85.5	Confident	88.4	Confident	29 Å²	29	29.2 Å²	29.2	15%	0.152	15%	0.15	C	C	.	.	H	α-helix	trans	-70.5	-40.7	-176.7	-70	174.2	0	0	0	112.1	L246 S247 N250 V479 L483 F484 F485	L246-L481 HydrophobicContact CD2-CD1 4.43Å; L246-L481 HydrophobicContact CG-CD1 4.08Å; S247-L481 VanDerWaalsContact CA-CD1 3.49Å; N250-L481 HydrophobicContact CB-CD1 4.11Å; V479-L481 VanDerWaalsContact C-N 3.35Å; V479-L481 PolarHBondContact O-N 3.38Å; L481-L483 VanDerWaalsContact C-N 3.31Å; L481-L483 PolarHBondContact O-N 3.26Å; L481-F484 WeakPolarHBondContact O-CB 3.25Å; L481-F484 PolarHBondContact O-N 3.46Å; L481-F485 WeakPolarHBondContact O-CD2 3.49Å; L481-F485 PolarHBondContact O-N 2.76Å
482	E	86.7	Confident	88.1	Confident	3 Å²	3	31.4 Å²	31.4	1%	0.014	16%	0.16	C	C	.	.	H	α-helix	trans	-66.7	-35.1	172.6	-68.8	-51.8	133	0	0	112.2	S247 V479 F484 F485 I486 Y496 V505	S247-E482 WeakPolarHBondContact CB-OE1 3.45Å; S247-E482 PolarHBondContact OG-OE1 3.2Å; V479-E482 PolarHBondContact O-N 3.03Å; E482-F484 VanDerWaalsContact C-N 3.28Å; E482-F484 PolarHBondContact O-N 3.4Å; E482-F485 PolarHBondContact O-N 3.17Å; E482-F485 VanDerWaalsContact O-N 3.13Å; E482-I486 VanDerWaalsContact O-CG1 3.3Å; E482-I486 WeakPolarHBondContact O-CG1 3.31Å; E482-I486 PolarHBondContact O-N 3.25Å; E482-Y496 PolarHBondContact OE2-OH 3.3Å; E482-V505 HydrophobicContact CB-CG1 4.29Å; E482-V505 HydrophobicContact CG-CB 3.98Å; E482-V505 HydrophobicContact CG-CG1 3.88Å; E482-V505 HydrophobicContact CG-CG2 3.7Å
483	L	90	Very high	87.4	Confident	18 Å²	18	33.6 Å²	33.6	9%	0.094	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-40.7	175.9	-169.5	66.8	0	0	0	111.4	F476 V479 F480 L481 F485 I486 F487 V547 Y550	F476-L483 HydrophobicContact CE2-CD2 3.96Å; V479-L483 WeakPolarHBondContact O-CB 3.49Å; V479-L483 PolarHBondContact O-N 3.44Å; F480-L483 WeakPolarHBondContact O-CB 3.23Å; F480-L483 PolarHBondContact O-N 3.43Å; L481-L483 VanDerWaalsContact C-N 3.31Å; L481-L483 PolarHBondContact O-N 3.26Å; L483-F485 VanDerWaalsContact C-N 3.34Å; L483-F485 PolarHBondContact O-N 3.25Å; L483-I486 PolarHBondContact O-N 2.88Å; L483-F487 HydrophobicContact CD1-CD2 3.81Å; L483-F487 HydrophobicContact CD1-CE2 3.46Å; L483-F487 VanDerWaalsContact CD1-CE2 3.46Å; L483-F487 HydrophobicContact CG-CD2 3.94Å; L483-F487 HydrophobicContact CG-CE2 3.86Å; L483-F487 WeakPolarHBondContact O-CB 3.31Å; L483-F487 WeakPolarHBondContact O-CD2 3.34Å; L483-F487 PolarHBondContact O-N 3.41Å; L483-V547 HydrophobicContact CD1-CG1 4.19Å; L483-V547 HydrophobicContact CD2-CB 4.38Å; L483-V547 HydrophobicContact CD2-CG1 4.15Å; L483-V547 HydrophobicContact CD2-CG2 4.12Å; L483-Y550 HydrophobicContact CD2-CD1 3.44Å; L483-Y550 VanDerWaalsContact CD2-CD1 3.44Å; L483-Y550 HydrophobicContact CD2-CE1 4.07Å; L483-Y550 HydrophobicContact CD2-CG 4.06Å; L483-Y550 HydrophobicContact CG-CD1 3.91Å; L483-Y550 HydrophobicContact CG-CE1 4.09Å
484	F	88.3	Confident	86.7	Confident	62 Å²	62	35 Å²	35	27%	0.272	18%	0.177	S	C	.	.	H	α-helix	trans	-57.9	-44.8	173.9	172.6	-102.3	0	0	0	112.2	F480 L481 E482 F487 S488 Y550 Y554	F480-F484 PolarHBondContact O-N 2.93Å; F480-F484 VanDerWaalsContact O-N 3.13Å; L481-F484 WeakPolarHBondContact O-CB 3.25Å; L481-F484 PolarHBondContact O-N 3.46Å; E482-F484 VanDerWaalsContact C-N 3.28Å; E482-F484 PolarHBondContact O-N 3.4Å; F484-F487 PolarHBondContact O-N 3.36Å; F484-S488 WeakPolarHBondContact O-CB 3.33Å; F484-S488 PolarHBondContact O-N 2.99Å; F484-S488 PolarHBondContact O-OG 3.2Å; F484-Y550 WeakPolarHBondContact CB-OH 3.44Å; F484-Y550 VanDerWaalsContact CD2-OH 3.31Å; F484-Y550 WeakPolarHBondContact CD2-OH 3.28Å; F484-Y554 HydrophobicContact CD2-CD2 4.3Å; F484-Y554 AromaticContact CD2-CE2 3.82Å; F484-Y554 HydrophobicContact CD2-CE2 3.82Å; F484-Y554 AromaticContact CE2-CE2 3.89Å; F484-Y554 HydrophobicContact CE2-CE2 3.89Å
485	F	84.9	Confident	86.1	Confident	24 Å²	24	35.3 Å²	35.3	11%	0.105	18%	0.175	C	C	.	.	H	α-helix	trans	-67.4	-41.6	178.6	-69.9	-64.3	0	0	0	112.4	I243 H244 L481 E482 L483 F487 S488 A489 Y496	I243-F485 HydrophobicContact CB-CZ 3.84Å; I243-F485 HydrophobicContact CG2-CE1 4.35Å; I243-F485 HydrophobicContact CG2-CE2 3.83Å; I243-F485 HydrophobicContact CG2-CZ 3.34Å; H244-F485 AromaticContact CE1-CD1 3.81Å; H244-F485 AromaticContact CE1-CD2 3.66Å; H244-F485 AromaticContact CE1-CE1 3.49Å; H244-F485 VanDerWaalsContact CE1-CE1 3.49Å; H244-F485 WeakPolarHBondContact CE1-CE1 3.34Å; H244-F485 AromaticContact CE1-CE2 3.34Å; H244-F485 WeakPolarHBondContact CE1-CE2 3.19Å; H244-F485 AromaticContact CE1-CG 3.89Å; H244-F485 AromaticContact CE1-CZ 3.21Å; H244-F485 WeakPolarHBondContact CE1-CZ 3.44Å; H244-F485 AromaticContact ND1-CD2 3.89Å; H244-F485 AromaticContact ND1-CE2 3.38Å; H244-F485 WeakPolarHBondContact ND1-CE2 3.49Å; H244-F485 AromaticContact ND1-CZ 3.59Å; H244-F485 AromaticContact NE2-CE1 3.81Å; H244-F485 AromaticContact NE2-CZ 3.7Å; L481-F485 WeakPolarHBondContact O-CD2 3.49Å; L481-F485 PolarHBondContact O-N 2.76Å; E482-F485 PolarHBondContact O-N 3.17Å; E482-F485 VanDerWaalsContact O-N 3.13Å; L483-F485 VanDerWaalsContact C-N 3.34Å; L483-F485 PolarHBondContact O-N 3.25Å; F485-F487 VanDerWaalsContact C-N 3.34Å; F485-F487 PolarHBondContact O-N 2.89Å; F485-S488 PolarHBondContact O-N 3.32Å; F485-A489 WeakPolarHBondContact O-CB 3.12Å; F485-A489 PolarHBondContact O-N 3.39Å; F485-Y496 HydrophobicContact CB-CD2 4.04Å; F485-Y496 HydrophobicContact CB-CE2 3.79Å
486	I	89.3	Confident	85.2	Confident	62 Å²	62	36.5 Å²	36.5	32%	0.318	18%	0.179	S	C	.	.	H	α-helix	trans	-61.1	-44.7	175.9	-67.1	165.3	0	0	0	110.3	E482 L483 A489 M490 Y496 L502	E482-I486 VanDerWaalsContact O-CG1 3.3Å; E482-I486 WeakPolarHBondContact O-CG1 3.31Å; E482-I486 PolarHBondContact O-N 3.25Å; L483-I486 PolarHBondContact O-N 2.88Å; I486-A489 PolarHBondContact O-N 3.5Å; I486-M490 VanDerWaalsContact O-CB 3.3Å; I486-M490 WeakPolarHBondContact O-CB 3.42Å; I486-M490 PolarHBondContact O-N 2.94Å; I486-Y496 HydrophobicContact CG1-CE2 4.35Å; I486-L502 HydrophobicContact CD1-CD1 3.94Å
487	F	91	Very high	84.1	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-65.2	-40.1	178.4	-88.9	-120.9	0	0	0	111.9	L483 F484 F485 M490 W491 Y554 T574	L483-F487 HydrophobicContact CD1-CD2 3.81Å; L483-F487 HydrophobicContact CD1-CE2 3.46Å; L483-F487 VanDerWaalsContact CD1-CE2 3.46Å; L483-F487 HydrophobicContact CG-CD2 3.94Å; L483-F487 HydrophobicContact CG-CE2 3.86Å; L483-F487 WeakPolarHBondContact O-CB 3.31Å; L483-F487 WeakPolarHBondContact O-CD2 3.34Å; L483-F487 PolarHBondContact O-N 3.41Å; F484-F487 PolarHBondContact O-N 3.36Å; F485-F487 VanDerWaalsContact C-N 3.34Å; F485-F487 PolarHBondContact O-N 2.89Å; F487-M490 PolarHBondContact O-N 3.32Å; F487-W491 AromaticContact CD1-CD1 3.93Å; F487-W491 AromaticContact CD1-NE1 3.92Å; F487-W491 WeakPolarHBondContact O-CB 3.15Å; F487-W491 VanDerWaalsContact O-CD1 3.26Å; F487-W491 PolarHBondContact O-N 3.43Å; F487-Y554 HydrophobicContact CB-CD1 4.43Å; F487-Y554 HydrophobicContact CB-CD2 4.25Å; F487-Y554 HydrophobicContact CB-CE1 4.2Å; F487-Y554 HydrophobicContact CB-CE2 4.01Å; F487-Y554 HydrophobicContact CB-CG 4.45Å; F487-Y554 HydrophobicContact CD1-CD1 4.01Å; F487-Y554 HydrophobicContact CD1-CG 4.02Å; F487-T574 HydrophobicContact CE1-CG2 4.15Å; F487-T574 HydrophobicContact CZ-CG2 4.38Å
488	S	86.4	Confident	83.4	Confident	10 Å²	10	37.4 Å²	37.4	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-68.1	-38.3	176.9	-54.6	0	0	0	0	111.7	F484 F485 Q492 Y554	F484-S488 WeakPolarHBondContact O-CB 3.33Å; F484-S488 PolarHBondContact O-N 2.99Å; F484-S488 PolarHBondContact O-OG 3.2Å; F485-S488 PolarHBondContact O-N 3.32Å; S488-Q492 VanDerWaalsContact O-CA 3.31Å; S488-Q492 WeakPolarHBondContact O-CA 3.48Å; S488-Q492 VanDerWaalsContact O-CB 3.22Å; S488-Q492 WeakPolarHBondContact O-CB 3.32Å; S488-Q492 PolarHBondContact O-N 2.9Å; S488-Y554 VanDerWaalsContact CA-OH 3.29Å; S488-Y554 WeakPolarHBondContact CA-OH 3.2Å; S488-Y554 PolarHBondContact N-OH 2.87Å; S488-Y554 PolarHBondContact OG-OH 3.36Å
489	A	84.9	Confident	83.2	Confident	25 Å²	25	38.5 Å²	38.5	21%	0.207	19%	0.185	C	C	.	.	H	α-helix	trans	-66	-41.5	173.9	0	0	0	0	0	112.5	F485 I486 Q494	F485-A489 WeakPolarHBondContact O-CB 3.12Å; F485-A489 PolarHBondContact O-N 3.39Å; I486-A489 PolarHBondContact O-N 3.5Å; A489-Q494 WeakPolarHBondContact CA-O 3.31Å; A489-Q494 WeakPolarHBondContact CB-O 3.47Å
490	M	86	Confident	82.8	Confident	73 Å²	73	39.6 Å²	39.6	36%	0.36	20%	0.199	S	C	.	.	H	α-helix	trans	-74.5	-42.2	-177.1	-174.8	163.8	67.9	0	0	113.3	I486 F487 I577	I486-M490 VanDerWaalsContact O-CB 3.3Å; I486-M490 WeakPolarHBondContact O-CB 3.42Å; I486-M490 PolarHBondContact O-N 2.94Å; F487-M490 PolarHBondContact O-N 3.32Å; M490-I577 HydrophobicContact CE-CD1 3.42Å; M490-I577 VanDerWaalsContact CE-CD1 3.42Å; M490-I577 HydrophobicContact SD-CD1 3.81Å
491	W	88.2	Confident	82.4	Confident	19 Å²	19	39.3 Å²	39.3	7%	0.072	20%	0.198	C	C	.	.	H	α-helix	trans	-106.7	-19	-172.4	-56.2	116.2	0	0	0	114.2	Q50 F487 L559 Y570 Y573 T574	Q50-W491 HydrophobicContact CG-CE3 4.29Å; Q50-W491 PolarHBondContact NE2-O 3.12Å; Q50-W491 PolarHBondContact OE1-O 3.17Å; F487-W491 AromaticContact CD1-CD1 3.93Å; F487-W491 AromaticContact CD1-NE1 3.92Å; F487-W491 WeakPolarHBondContact O-CB 3.15Å; F487-W491 VanDerWaalsContact O-CD1 3.26Å; F487-W491 PolarHBondContact O-N 3.43Å; W491-L559 HydrophobicContact CB-CD2 4.13Å; W491-Y570 AromaticContact CD1-CE2 3.82Å; W491-Y570 AromaticContact CD2-CD2 3.75Å; W491-Y570 HydrophobicContact CD2-CD2 3.75Å; W491-Y570 AromaticContact CD2-CE2 3.81Å; W491-Y570 HydrophobicContact CD2-CE2 3.81Å; W491-Y570 AromaticContact CE2-CD2 3.55Å; W491-Y570 AromaticContact CE2-CE2 3.46Å; W491-Y570 VanDerWaalsContact CE2-CE2 3.46Å; W491-Y570 HydrophobicContact CE3-CD2 4.01Å; W491-Y570 HydrophobicContact CG-CD2 4.37Å; W491-Y570 HydrophobicContact CG-CE2 4.02Å; W491-Y570 AromaticContact CH2-CD2 3.92Å; W491-Y570 HydrophobicContact CH2-CD2 3.92Å; W491-Y570 AromaticContact CZ2-CD2 3.65Å; W491-Y570 HydrophobicContact CZ2-CD2 3.65Å; W491-Y570 AromaticContact CZ2-CE2 3.92Å; W491-Y570 HydrophobicContact CZ2-CE2 3.92Å; W491-Y570 HydrophobicContact CZ3-CD2 4.09Å; W491-Y570 AromaticContact NE1-CE2 3.44Å; W491-Y573 HydrophobicContact CH2-CD2 4.07Å; W491-Y573 HydrophobicContact CH2-CG 4.48Å; W491-T574 HydrophobicContact CZ2-CG2 3.82Å
492	Q	82.9	Confident	82.4	Confident	52 Å²	52	39.4 Å²	39.4	24%	0.243	20%	0.198	C	C	.	.	S	Bend	trans	-107	11.5	177.3	-56.6	-175.5	-14.5	0	0	112.6	S488 Q494 Y554	S488-Q492 VanDerWaalsContact O-CA 3.31Å; S488-Q492 WeakPolarHBondContact O-CA 3.48Å; S488-Q492 VanDerWaalsContact O-CB 3.22Å; S488-Q492 WeakPolarHBondContact O-CB 3.32Å; S488-Q492 PolarHBondContact O-N 2.9Å; Q492-Q494 HydrophobicContact CB-CG 4.14Å; Q492-Q494 PolarHBondContact O-N 3.04Å; Q492-Y554 PolarHBondContact NE2-OH 2.67Å
493	N	77.5	Confident	82.6	Confident	45 Å²	45	42.6 Å²	42.6	24%	0.241	21%	0.212	C	C	.	.			trans	54.9	29.9	-178.5	-67.4	-40.3	0	0	0	114.1	T45	T45-N493 WeakPolarHBondContact CB-ND2 3.36Å; T45-N493 PolarHBondContact OG1-ND2 3.31Å; T45-N493 VanDerWaalsContact OG1-ND2 3.17Å
494	Q	76.4	Confident	82.4	Confident	91 Å²	91	45.7 Å²	45.7	43%	0.425	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-81.5	155.4	174.4	-61.7	-67.2	-16.7	0	0	111	A489 Q492	A489-Q494 WeakPolarHBondContact CA-O 3.31Å; A489-Q494 WeakPolarHBondContact CB-O 3.47Å; Q492-Q494 HydrophobicContact CB-CG 4.14Å; Q492-Q494 PolarHBondContact O-N 3.04Å
495	F	74.2	Confident	82.4	Confident	39 Å²	39	43.1 Å²	43.1	17%	0.171	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-80.9	132.3	172.4	-65.8	-71	0	0	0	110.7	P137 R154 W232 Y235 L236 M238 P337	P137-F495 HydrophobicContact CG-CZ 3.82Å; R154-F495 HydrophobicContact CG-CZ 4.27Å; W232-F495 HydrophobicContact CZ3-CE1 4.01Å; W232-F495 HydrophobicContact CZ3-CZ 4.16Å; Y235-F495 HydrophobicContact CD1-CE2 4.39Å; L236-F495 HydrophobicContact CD2-CB 4.03Å; L236-F495 HydrophobicContact CD2-CG 4.46Å; M238-F495 WeakPolarHBondContact CE-O 3.46Å; P337-F495 HydrophobicContact CB-CD1 4.41Å
496	Y	72.7	Confident	82.7	Confident	30 Å²	30	42.8 Å²	42.8	12%	0.118	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-100.2	119.4	164.9	-170.5	-87.7	0	0	0	108.7	E482 F485 I486 L498 F499 L502	E482-Y496 PolarHBondContact OE2-OH 3.3Å; F485-Y496 HydrophobicContact CB-CD2 4.04Å; F485-Y496 HydrophobicContact CB-CE2 3.79Å; I486-Y496 HydrophobicContact CG1-CE2 4.35Å; Y496-L498 PolarHBondContact OH-O 3.43Å; Y496-F499 HydrophobicContact CD1-CD1 4.13Å; Y496-F499 AromaticContact CD1-CE1 3.89Å; Y496-F499 HydrophobicContact CD1-CE1 3.89Å; Y496-F499 HydrophobicContact CD1-CZ 4.19Å; Y496-F499 HydrophobicContact CE1-CD1 4.1Å; Y496-F499 HydrophobicContact CE1-CE1 4.29Å; Y496-L502 HydrophobicContact CE1-CB 4.15Å; Y496-L502 HydrophobicContact CE1-CD2 4.17Å; Y496-L502 WeakPolarHBondContact OH-CB 3.49Å
497	Y	68.5	Low	82.8	Confident	77 Å²	77	42.9 Å²	42.9	30%	0.302	22%	0.219	S	C	.	.			trans	-114.4	-25.2	-175.2	-172.3	-126.2	0	0	0	114	L236 F499	L236-Y497 HydrophobicContact CB-CD1 4Å; L236-Y497 HydrophobicContact CB-CE1 4.44Å; L236-Y497 HydrophobicContact CB-CG 4.03Å; L236-Y497 HydrophobicContact CD1-CD1 4.06Å; L236-Y497 HydrophobicContact CD1-CD2 3.42Å; L236-Y497 VanDerWaalsContact CD1-CD2 3.42Å; L236-Y497 HydrophobicContact CD1-CE1 3.99Å; L236-Y497 HydrophobicContact CD1-CE2 3.37Å; L236-Y497 HydrophobicContact CD1-CG 3.78Å; L236-Y497 HydrophobicContact CD2-CD2 3.74Å; L236-Y497 HydrophobicContact CD2-CG 3.79Å; L236-Y497 HydrophobicContact CG-CD1 4.44Å; L236-Y497 HydrophobicContact CG-CD2 4.06Å; L236-Y497 HydrophobicContact CG-CE2 4.46Å; L236-Y497 HydrophobicContact CG-CG 4.06Å; Y497-F499 WeakPolarHBondContact O-CD2 3.3Å; Y497-F499 PolarHBondContact O-N 2.96Å
498	L	73.9	Confident	82.7	Confident	44 Å²	44	43.8 Å²	43.8	23%	0.23	22%	0.224	C	C	.	.			trans	-84.8	53.9	-165.6	-76.1	-169.9	0	0	0	113.2	H244 Y496 G500 F501 L502	H244-L498 HydrophobicContact CB-CD1 4.13Å; H244-L498 WeakPolarHBondContact CD2-CD1 3.35Å; H244-L498 WeakPolarHBondContact NE2-CD1 3.49Å; Y496-L498 PolarHBondContact OH-O 3.43Å; L498-G500 VanDerWaalsContact C-N 3.25Å; L498-G500 PolarHBondContact O-N 3.2Å; L498-F501 HydrophobicContact CB-CB 4.37Å; L498-F501 HydrophobicContact CB-CD2 3.61Å; L498-F501 HydrophobicContact CB-CE2 4.39Å; L498-F501 HydrophobicContact CB-CG 4.41Å; L498-F501 HydrophobicContact CD1-CD2 3.74Å; L498-F501 HydrophobicContact CD1-CE2 3.87Å; L498-F501 HydrophobicContact CD2-CD2 3.68Å; L498-F501 HydrophobicContact CD2-CE2 3.58Å; L498-F501 HydrophobicContact CG-CD2 3.84Å; L498-F501 HydrophobicContact CG-CE2 4.13Å; L498-F501 WeakPolarHBondContact O-CB 3.3Å; L498-F501 PolarHBondContact O-N 2.96Å; L498-L502 PolarHBondContact O-N 3.37Å; L498-L502 VanDerWaalsContact O-N 3.12Å
499	F	81.9	Confident	83	Confident	24 Å²	24	43.7 Å²	43.7	11%	0.105	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-28.7	-178.4	-67.5	-69.7	0	0	0	114	A330 L343 Y496 Y497 F501 L502 F503	A330-F499 HydrophobicContact CB-CB 3.86Å; A330-F499 HydrophobicContact CB-CD1 3.55Å; A330-F499 HydrophobicContact CB-CD2 4.03Å; A330-F499 HydrophobicContact CB-CE1 4.05Å; A330-F499 HydrophobicContact CB-CE2 4.48Å; A330-F499 HydrophobicContact CB-CG 3.54Å; A330-F499 HydrophobicContact CB-CZ 4.49Å; L343-F499 HydrophobicContact CD1-CE1 3.72Å; L343-F499 HydrophobicContact CD1-CZ 3.63Å; Y496-F499 HydrophobicContact CD1-CD1 4.13Å; Y496-F499 AromaticContact CD1-CE1 3.89Å; Y496-F499 HydrophobicContact CD1-CE1 3.89Å; Y496-F499 HydrophobicContact CD1-CZ 4.19Å; Y496-F499 HydrophobicContact CE1-CD1 4.1Å; Y496-F499 HydrophobicContact CE1-CE1 4.29Å; Y497-F499 WeakPolarHBondContact O-CD2 3.3Å; Y497-F499 PolarHBondContact O-N 2.96Å; F499-F501 VanDerWaalsContact C-N 3.33Å; F499-F501 PolarHBondContact O-N 3.28Å; F499-L502 HydrophobicContact CD1-CD2 4.17Å; F499-L502 WeakPolarHBondContact O-CB 3.09Å; F499-L502 PolarHBondContact O-N 3.34Å; F499-F503 PolarHBondContact O-N 3.07Å
500	G	81.9	Confident	83.4	Confident	37 Å²	37	44.1 Å²	44.1	38%	0.381	22%	0.223	S	C	.	.	H	α-helix	trans	-61.6	-40.2	172.1	0	0	0	0	0	112.6	L498 F503 I504	L498-G500 VanDerWaalsContact C-N 3.25Å; L498-G500 PolarHBondContact O-N 3.2Å; G500-F503 WeakPolarHBondContact O-CB 3.42Å; G500-F503 PolarHBondContact O-N 3.3Å; G500-I504 PolarHBondContact O-N 3.19Å
501	F	80	Confident	83.7	Confident	60 Å²	60	43.6 Å²	43.6	26%	0.263	22%	0.223	S	C	.	.	H	α-helix	trans	-70.4	-41.1	175.8	-64.5	-78.6	0	0	0	111.4	I248 L498 F499 F503 I504 V505	I248-F501 HydrophobicContact CD1-CD1 3.6Å; I248-F501 HydrophobicContact CD1-CE1 3.28Å; I248-F501 HydrophobicContact CD1-CZ 4.4Å; I248-F501 HydrophobicContact CG1-CD1 3.87Å; I248-F501 HydrophobicContact CG1-CE1 4.1Å; L498-F501 HydrophobicContact CB-CB 4.37Å; L498-F501 HydrophobicContact CB-CD2 3.61Å; L498-F501 HydrophobicContact CB-CE2 4.39Å; L498-F501 HydrophobicContact CB-CG 4.41Å; L498-F501 HydrophobicContact CD1-CD2 3.74Å; L498-F501 HydrophobicContact CD1-CE2 3.87Å; L498-F501 HydrophobicContact CD2-CD2 3.68Å; L498-F501 HydrophobicContact CD2-CE2 3.58Å; L498-F501 HydrophobicContact CG-CD2 3.84Å; L498-F501 HydrophobicContact CG-CE2 4.13Å; L498-F501 WeakPolarHBondContact O-CB 3.3Å; L498-F501 PolarHBondContact O-N 2.96Å; F499-F501 VanDerWaalsContact C-N 3.33Å; F499-F501 PolarHBondContact O-N 3.28Å; F501-F503 PolarHBondContact O-N 3.38Å; F501-I504 PolarHBondContact O-N 3.04Å; F501-I504 VanDerWaalsContact O-N 3.16Å; F501-V505 WeakPolarHBondContact O-CG2 3.29Å; F501-V505 PolarHBondContact O-N 3.01Å
502	L	85.4	Confident	83.8	Confident	30 Å²	30	42.7 Å²	42.7	16%	0.157	22%	0.22	C	C	.	.	H	α-helix	trans	-55.2	-40.1	173	-170.8	59.5	0	0	0	112.1	I327 I486 Y496 L498 F499 F506	I327-L502 HydrophobicContact CD1-CD2 4.32Å; I327-L502 HydrophobicContact CD1-CG 4.21Å; I327-L502 HydrophobicContact CG1-CD2 4.09Å; I327-L502 HydrophobicContact CG1-CG 4.39Å; I327-L502 HydrophobicContact CG2-CG 4.43Å; I486-L502 HydrophobicContact CD1-CD1 3.94Å; Y496-L502 HydrophobicContact CE1-CB 4.15Å; Y496-L502 HydrophobicContact CE1-CD2 4.17Å; Y496-L502 WeakPolarHBondContact OH-CB 3.49Å; L498-L502 PolarHBondContact O-N 3.37Å; L498-L502 VanDerWaalsContact O-N 3.12Å; F499-L502 HydrophobicContact CD1-CD2 4.17Å; F499-L502 WeakPolarHBondContact O-CB 3.09Å; F499-L502 PolarHBondContact O-N 3.34Å; L502-F506 VanDerWaalsContact O-CB 3.28Å; L502-F506 WeakPolarHBondContact O-CB 3.46Å; L502-F506 PolarHBondContact O-N 3.25Å
503	F	90	Very high	84.4	Confident	70 Å²	70	40.3 Å²	40.3	31%	0.307	21%	0.209	S	C	.	.	H	α-helix	trans	-63.3	-47.7	176.7	-179.3	-109.7	0	0	0	112.5	L324 I327 V328 A331 F499 G500 F501 V505 F506 V507	L324-F503 HydrophobicContact CD1-CE2 3.93Å; I327-F503 HydrophobicContact CG2-CB 3.6Å; I327-F503 HydrophobicContact CG2-CD2 3.87Å; I327-F503 HydrophobicContact CG2-CG 4.24Å; V328-F503 HydrophobicContact CG2-CD2 3.93Å; V328-F503 HydrophobicContact CG2-CE2 3.48Å; V328-F503 VanDerWaalsContact CG2-CE2 3.48Å; V328-F503 HydrophobicContact CG2-CZ 4.25Å; A331-F503 HydrophobicContact CB-CB 4.35Å; F499-F503 PolarHBondContact O-N 3.07Å; G500-F503 WeakPolarHBondContact O-CB 3.42Å; G500-F503 PolarHBondContact O-N 3.3Å; F501-F503 PolarHBondContact O-N 3.38Å; F503-V505 VanDerWaalsContact C-N 3.34Å; F503-V505 PolarHBondContact O-N 2.54Å; F503-F506 WeakPolarHBondContact O-CB 3.11Å; F503-F506 PolarHBondContact O-N 3.13Å; F503-V507 HydrophobicContact CE1-CG2 4.27Å; F503-V507 HydrophobicContact CE2-CG2 4.34Å; F503-V507 HydrophobicContact CZ-CG2 4.09Å; F503-V507 WeakPolarHBondContact O-CG2 3.27Å; F503-V507 PolarHBondContact O-N 2.65Å
504	I	86.5	Confident	85.1	Confident	84 Å²	84	39.3 Å²	39.3	43%	0.431	21%	0.207	S	C	.	.	H	α-helix	trans	-60.1	-47.1	177.9	-65.4	168.8	0	0	0	110.1	G500 F501 F506 V507 I508	G500-I504 PolarHBondContact O-N 3.19Å; F501-I504 PolarHBondContact O-N 3.04Å; F501-I504 VanDerWaalsContact O-N 3.16Å; I504-F506 VanDerWaalsContact C-N 3.3Å; I504-F506 PolarHBondContact O-N 3.08Å; I504-V507 PolarHBondContact O-N 3.11Å; I504-V507 VanDerWaalsContact O-N 3.16Å; I504-I508 HydrophobicContact CG2-CD1 4.02Å; I504-I508 WeakPolarHBondContact O-CG1 3.3Å; I504-I508 PolarHBondContact O-N 3.05Å
505	V	88	Confident	85.8	Confident	8 Å²	8	36.2 Å²	36.2	5%	0.048	19%	0.193	C	C	.	.	H	α-helix	trans	-65.5	-34.3	179.3	173.8	0	0	0	0	111.5	V479 E482 F501 F503 I508 L509	V479-V505 HydrophobicContact CB-CG1 4.37Å; V479-V505 HydrophobicContact CG1-CG1 3.88Å; E482-V505 HydrophobicContact CB-CG1 4.29Å; E482-V505 HydrophobicContact CG-CB 3.98Å; E482-V505 HydrophobicContact CG-CG1 3.88Å; E482-V505 HydrophobicContact CG-CG2 3.7Å; F501-V505 WeakPolarHBondContact O-CG2 3.29Å; F501-V505 PolarHBondContact O-N 3.01Å; F503-V505 VanDerWaalsContact C-N 3.34Å; F503-V505 PolarHBondContact O-N 2.54Å; V505-I508 WeakPolarHBondContact O-CB 3.27Å; V505-I508 PolarHBondContact O-N 3.12Å; V505-L509 WeakPolarHBondContact O-CB 3.34Å; V505-L509 PolarHBondContact O-N 3.16Å
506	F	91.9	Very high	86.6	Confident	16 Å²	16	35.1 Å²	35.1	7%	0.07	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-40.9	172.1	-176.1	-102.2	0	0	0	112.5	F320 T323 L324 I327 L502 F503 I504 I508 L509 V510 L584	F320-F506 HydrophobicContact CD2-CE1 4.49Å; F320-F506 AromaticContact CD2-CZ 3.86Å; F320-F506 HydrophobicContact CD2-CZ 3.86Å; F320-F506 AromaticContact CE2-CE1 3.9Å; F320-F506 HydrophobicContact CE2-CE1 3.9Å; F320-F506 AromaticContact CE2-CZ 3.68Å; F320-F506 HydrophobicContact CE2-CZ 3.68Å; F320-F506 HydrophobicContact CZ-CE1 4.37Å; T323-F506 HydrophobicContact CG2-CD2 4.11Å; T323-F506 HydrophobicContact CG2-CE2 3.6Å; T323-F506 HydrophobicContact CG2-CZ 4.05Å; L324-F506 HydrophobicContact CB-CE1 3.96Å; L324-F506 HydrophobicContact CB-CZ 4.47Å; L324-F506 HydrophobicContact CD1-CD1 4.14Å; L324-F506 HydrophobicContact CD1-CE1 3.88Å; L324-F506 HydrophobicContact CG-CE1 4.48Å; I327-F506 HydrophobicContact CD1-CB 4.05Å; I327-F506 HydrophobicContact CD1-CD1 4.48Å; I327-F506 HydrophobicContact CD1-CD2 3.99Å; I327-F506 HydrophobicContact CD1-CG 3.91Å; L502-F506 VanDerWaalsContact O-CB 3.28Å; L502-F506 WeakPolarHBondContact O-CB 3.46Å; L502-F506 PolarHBondContact O-N 3.25Å; F503-F506 WeakPolarHBondContact O-CB 3.11Å; F503-F506 PolarHBondContact O-N 3.13Å; I504-F506 VanDerWaalsContact C-N 3.3Å; I504-F506 PolarHBondContact O-N 3.08Å; F506-I508 VanDerWaalsContact C-N 3.33Å; F506-I508 PolarHBondContact O-N 3.07Å; F506-L509 HydrophobicContact CD2-CD2 4.3Å; F506-L509 WeakPolarHBondContact O-CB 3.43Å; F506-L509 PolarHBondContact O-N 2.85Å; F506-V510 HydrophobicContact CD1-CG2 4.44Å; F506-V510 HydrophobicContact CE1-CG2 4.08Å; F506-V510 HydrophobicContact CZ-CG2 4.23Å; F506-V510 WeakPolarHBondContact O-CG2 3.43Å; F506-V510 PolarHBondContact O-N 3.05Å; F506-L584 HydrophobicContact CE2-CD1 3.92Å; F506-L584 HydrophobicContact CE2-CD2 4.13Å; F506-L584 HydrophobicContact CZ-CD1 4.22Å; F506-L584 HydrophobicContact CZ-CD2 4.46Å
507	V	91.4	Very high	87.6	Confident	65 Å²	65	33.7 Å²	33.7	39%	0.394	18%	0.184	S	C	.	.	H	α-helix	trans	-62.6	-43.6	173.6	173.2	0	0	0	0	110.7	F503 I504 L509 V510 V511	F503-V507 HydrophobicContact CE1-CG2 4.27Å; F503-V507 HydrophobicContact CE2-CG2 4.34Å; F503-V507 HydrophobicContact CZ-CG2 4.09Å; F503-V507 WeakPolarHBondContact O-CG2 3.27Å; F503-V507 PolarHBondContact O-N 2.65Å; I504-V507 PolarHBondContact O-N 3.11Å; I504-V507 VanDerWaalsContact O-N 3.16Å; V507-L509 VanDerWaalsContact C-N 3.31Å; V507-L509 PolarHBondContact O-N 2.83Å; V507-V510 PolarHBondContact O-N 2.94Å; V507-V511 WeakPolarHBondContact O-CG2 3.15Å; V507-V511 PolarHBondContact O-N 3.17Å
508	I	88.9	Confident	88.7	Confident	21 Å²	21	30.8 Å²	30.8	11%	0.108	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-41.8	175.7	-71.4	175.4	0	0	0	111.4	V255 A478 I504 V505 F506 V510 V511 S512	V255-I508 HydrophobicContact CG2-CB 4.01Å; V255-I508 HydrophobicContact CG2-CD1 4.43Å; V255-I508 HydrophobicContact CG2-CG1 3.91Å; V255-I508 HydrophobicContact CG2-CG2 3.34Å; A478-I508 HydrophobicContact CB-CG2 3.9Å; I504-I508 HydrophobicContact CG2-CD1 4.02Å; I504-I508 WeakPolarHBondContact O-CG1 3.3Å; I504-I508 PolarHBondContact O-N 3.05Å; V505-I508 WeakPolarHBondContact O-CB 3.27Å; V505-I508 PolarHBondContact O-N 3.12Å; F506-I508 VanDerWaalsContact C-N 3.33Å; F506-I508 PolarHBondContact O-N 3.07Å; I508-V510 VanDerWaalsContact C-N 3.35Å; I508-V510 PolarHBondContact O-N 3.05Å; I508-V511 PolarHBondContact O-N 2.81Å; I508-S512 VanDerWaalsContact O-CB 3.3Å; I508-S512 WeakPolarHBondContact O-CB 3.19Å; I508-S512 PolarHBondContact O-N 3Å; I508-S512 PolarHBondContact O-OG 3.4Å
509	L	91.6	Very high	89.5	Confident	7 Å²	7	29.6 Å²	29.6	4%	0.037	17%	0.169	C	C	.	.	H	α-helix	trans	-58.6	-45.8	174.4	178.2	64.2	0	0	0	111.6	V479 V505 F506 V507 S512 T513 Q543 F581	V479-L509 HydrophobicContact CG1-CB 3.97Å; V479-L509 HydrophobicContact CG1-CD1 3.66Å; V479-L509 HydrophobicContact CG1-CD2 4.36Å; V479-L509 HydrophobicContact CG1-CG 4.21Å; V505-L509 WeakPolarHBondContact O-CB 3.34Å; V505-L509 PolarHBondContact O-N 3.16Å; F506-L509 HydrophobicContact CD2-CD2 4.3Å; F506-L509 WeakPolarHBondContact O-CB 3.43Å; F506-L509 PolarHBondContact O-N 2.85Å; V507-L509 VanDerWaalsContact C-N 3.31Å; V507-L509 PolarHBondContact O-N 2.83Å; L509-S512 WeakPolarHBondContact CA-OG 3.31Å; L509-S512 PolarHBondContact O-OG 3.25Å; L509-T513 HydrophobicContact CD1-CG2 4.08Å; L509-T513 WeakPolarHBondContact O-CB 3.22Å; L509-T513 WeakPolarHBondContact O-CG2 2.93Å; L509-T513 PolarHBondContact O-N 2.99Å; L509-T513 PolarHBondContact O-OG1 2.78Å; L509-Q543 VanDerWaalsContact CD1-CD 3.5Å; L509-F581 HydrophobicContact CD1-CZ 3.99Å; L509-F581 HydrophobicContact CD2-CE2 3.55Å; L509-F581 HydrophobicContact CD2-CZ 3.84Å
510	V	93.9	Very high	89.9	Confident	35 Å²	35	30 Å²	30	21%	0.212	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-43.8	179.1	173.5	0	0	0	0	111.3	F320 F506 V507 I508 T513 A514 V588	F320-V510 HydrophobicContact CE2-CG2 3.62Å; F320-V510 HydrophobicContact CZ-CG2 4.32Å; F506-V510 HydrophobicContact CD1-CG2 4.44Å; F506-V510 HydrophobicContact CE1-CG2 4.08Å; F506-V510 HydrophobicContact CZ-CG2 4.23Å; F506-V510 WeakPolarHBondContact O-CG2 3.43Å; F506-V510 PolarHBondContact O-N 3.05Å; V507-V510 PolarHBondContact O-N 2.94Å; I508-V510 VanDerWaalsContact C-N 3.35Å; I508-V510 PolarHBondContact O-N 3.05Å; V510-T513 WeakPolarHBondContact CA-OG1 3.28Å; V510-T513 PolarHBondContact O-OG1 2.92Å; V510-A514 VanDerWaalsContact O-CB 3.25Å; V510-A514 WeakPolarHBondContact O-CB 2.91Å; V510-A514 PolarHBondContact O-N 3.27Å; V510-A514 VanDerWaalsContact O-N 3.08Å; V510-V588 HydrophobicContact CG1-CG1 3.9Å; V510-V588 WeakPolarHBondContact O-CG1 3.4Å
511	V	92.1	Very high	90.4	Very high	61 Å²	61	28.3 Å²	28.3	37%	0.37	15%	0.154	S	C	.	.	H	α-helix	trans	-65.6	-51.3	177.9	173.6	0	0	0	0	110.3	V255 V507 I508 T513 A514 L515	V255-V511 HydrophobicContact CG1-CG1 4.5Å; V507-V511 WeakPolarHBondContact O-CG2 3.15Å; V507-V511 PolarHBondContact O-N 3.17Å; I508-V511 PolarHBondContact O-N 2.81Å; V511-T513 PolarHBondContact O-N 3.06Å; V511-A514 WeakPolarHBondContact O-CB 3.46Å; V511-A514 PolarHBondContact O-N 2.95Å; V511-L515 HydrophobicContact CG1-CD1 3.79Å; V511-L515 HydrophobicContact CG1-CG 4.15Å; V511-L515 WeakPolarHBondContact O-CG 3.35Å; V511-L515 PolarHBondContact O-N 3.06Å
512	S	90.8	Very high	90.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.9	-44.4	-178.4	55.8	0	0	0	0	112.8	I508 L509 L515 V516	I508-S512 VanDerWaalsContact O-CB 3.3Å; I508-S512 WeakPolarHBondContact O-CB 3.19Å; I508-S512 PolarHBondContact O-N 3Å; I508-S512 PolarHBondContact O-OG 3.4Å; L509-S512 WeakPolarHBondContact CA-OG 3.31Å; L509-S512 PolarHBondContact O-OG 3.25Å; S512-L515 PolarHBondContact O-N 3.42Å; S512-V516 WeakPolarHBondContact O-CG2 3.46Å; S512-V516 PolarHBondContact O-N 3.43Å
513	T	94	Very high	91.1	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.018	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-41.4	175.7	50.6	0	0	0	0	112.6	P475 L509 V510 V511 S517 A585 V588	P475-T513 HydrophobicContact CB-CG2 4.17Å; L509-T513 HydrophobicContact CD1-CG2 4.08Å; L509-T513 WeakPolarHBondContact O-CB 3.22Å; L509-T513 WeakPolarHBondContact O-CG2 2.93Å; L509-T513 PolarHBondContact O-N 2.99Å; L509-T513 PolarHBondContact O-OG1 2.78Å; V510-T513 WeakPolarHBondContact CA-OG1 3.28Å; V510-T513 PolarHBondContact O-OG1 2.92Å; V511-T513 PolarHBondContact O-N 3.06Å; T513-S517 VanDerWaalsContact O-CB 3.3Å; T513-S517 WeakPolarHBondContact O-CB 3.42Å; T513-S517 PolarHBondContact O-N 2.94Å; T513-A585 HydrophobicContact CG2-CB 4.22Å; T513-V588 VanDerWaalsContact OG1-CG1 3.27Å; T513-V588 WeakPolarHBondContact OG1-CG1 3.43Å
514	A	93.8	Very high	91.2	Very high	23 Å²	23	25.7 Å²	25.7	19%	0.19	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-47.3	175.1	0	0	0	0	0	111.6	V510 V511 S517 V518 V588 A592	V510-A514 VanDerWaalsContact O-CB 3.25Å; V510-A514 WeakPolarHBondContact O-CB 2.91Å; V510-A514 PolarHBondContact O-N 3.27Å; V510-A514 VanDerWaalsContact O-N 3.08Å; V511-A514 WeakPolarHBondContact O-CB 3.46Å; V511-A514 PolarHBondContact O-N 2.95Å; A514-S517 PolarHBondContact O-N 3.21Å; A514-V518 VanDerWaalsContact O-CG2 3.3Å; A514-V518 WeakPolarHBondContact O-CG2 3.17Å; A514-V518 PolarHBondContact O-N 2.94Å; A514-V588 HydrophobicContact CB-CG1 4.31Å; A514-A592 HydrophobicContact CB-CB 3.51Å
515	L	91.1	Very high	91.4	Very high	27 Å²	27	21.7 Å²	21.7	14%	0.141	12%	0.12	C	C	.	.	H	α-helix	trans	-60.6	-52	-180	-67	175.5	0	0	0	111.5	L258 L262 V511 S512 S517 V518 V519	L258-L515 HydrophobicContact CB-CD1 3.75Å; L262-L515 HydrophobicContact CB-CD2 4.19Å; L262-L515 HydrophobicContact CD2-CD2 3.2Å; L262-L515 HydrophobicContact CG-CD2 4.24Å; V511-L515 HydrophobicContact CG1-CD1 3.79Å; V511-L515 HydrophobicContact CG1-CG 4.15Å; V511-L515 WeakPolarHBondContact O-CG 3.35Å; V511-L515 PolarHBondContact O-N 3.06Å; S512-L515 PolarHBondContact O-N 3.42Å; L515-S517 VanDerWaalsContact C-N 3.34Å; L515-S517 PolarHBondContact O-N 2.93Å; L515-V518 PolarHBondContact O-N 3.2Å; L515-V519 WeakPolarHBondContact O-CG2 3.44Å; L515-V519 PolarHBondContact O-N 2.87Å
516	V	91.1	Very high	91.5	Very high	15 Å²	15	23.2 Å²	23.2	9%	0.091	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-43.2	-178.9	171.1	0	0	0	0	111.3	L258 A471 P475 S512 V518 V519 I520 I539	L258-V516 HydrophobicContact CD1-CG2 4.21Å; L258-V516 HydrophobicContact CD2-CG2 3.71Å; A471-V516 HydrophobicContact CB-CG1 3.57Å; P475-V516 HydrophobicContact CG-CB 4.4Å; P475-V516 HydrophobicContact CG-CG2 3.87Å; S512-V516 WeakPolarHBondContact O-CG2 3.46Å; S512-V516 PolarHBondContact O-N 3.43Å; V516-V518 VanDerWaalsContact C-N 3.34Å; V516-V518 PolarHBondContact O-N 3.36Å; V516-V519 PolarHBondContact O-N 2.99Å; V516-I520 HydrophobicContact CG1-CG1 4.44Å; V516-I520 WeakPolarHBondContact O-CG1 3.18Å; V516-I520 PolarHBondContact O-N 3.47Å; V516-I539 HydrophobicContact CG1-CG2 4.43Å
517	S	93.5	Very high	91.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.9	-42.1	178.3	-172.5	0	0	0	0	112	T513 A514 L515 V521 A536 G589	T513-S517 VanDerWaalsContact O-CB 3.3Å; T513-S517 WeakPolarHBondContact O-CB 3.42Å; T513-S517 PolarHBondContact O-N 2.94Å; A514-S517 PolarHBondContact O-N 3.21Å; L515-S517 VanDerWaalsContact C-N 3.34Å; L515-S517 PolarHBondContact O-N 2.93Å; S517-V521 VanDerWaalsContact O-CB 3.32Å; S517-V521 WeakPolarHBondContact O-CB 3.48Å; S517-V521 VanDerWaalsContact O-CG2 3.22Å; S517-V521 WeakPolarHBondContact O-CG2 3.44Å; S517-V521 PolarHBondContact O-N 2.6Å; S517-A536 PolarHBondContact OG-O 3.17Å; S517-G589 WeakPolarHBondContact OG-CA 3.27Å; S517-G589 PolarHBondContact OG-O 3.37Å
518	V	92	Very high	91.3	Very high	17 Å²	17	22.4 Å²	22.4	10%	0.103	13%	0.13	C	C	.	.	H	α-helix	trans	-63	-44	176.1	167.8	0	0	0	0	111.4	L262 A514 L515 V516 V521 Y522 A592 F596	L262-V518 HydrophobicContact CD1-CG1 4.12Å; A514-V518 VanDerWaalsContact O-CG2 3.3Å; A514-V518 WeakPolarHBondContact O-CG2 3.17Å; A514-V518 PolarHBondContact O-N 2.94Å; L515-V518 PolarHBondContact O-N 3.2Å; V516-V518 VanDerWaalsContact C-N 3.34Å; V516-V518 PolarHBondContact O-N 3.36Å; V518-V521 PolarHBondContact O-N 2.8Å; V518-Y522 WeakPolarHBondContact O-CB 2.8Å; V518-Y522 PolarHBondContact O-N 2.67Å; V518-A592 HydrophobicContact CG2-CB 4.24Å; V518-F596 HydrophobicContact CG1-CB 4.1Å; V518-F596 HydrophobicContact CG1-CD1 4Å; V518-F596 HydrophobicContact CG1-CD2 3.64Å; V518-F596 HydrophobicContact CG1-CE1 4.34Å; V518-F596 HydrophobicContact CG1-CE2 4.01Å; V518-F596 HydrophobicContact CG1-CG 3.63Å; V518-F596 HydrophobicContact CG1-CZ 4.34Å; V518-F596 HydrophobicContact CG2-CB 3.85Å; V518-F596 HydrophobicContact CG2-CG 4.29Å
519	V	89.1	Confident	91.5	Very high	19 Å²	19	21.6 Å²	21.6	12%	0.115	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-50.8	179.7	166.6	0	0	0	0	111.7	L262 I265 L515 V516 Y522 F523	L262-V519 HydrophobicContact CB-CG2 4.5Å; L262-V519 HydrophobicContact CD1-CG2 3.78Å; I265-V519 HydrophobicContact CD1-CB 4.16Å; I265-V519 HydrophobicContact CD1-CG1 3.54Å; I265-V519 HydrophobicContact CD1-CG2 3.63Å; L515-V519 WeakPolarHBondContact O-CG2 3.44Å; L515-V519 PolarHBondContact O-N 2.87Å; V516-V519 PolarHBondContact O-N 2.99Å; V519-Y522 WeakPolarHBondContact O-CB 2.96Å; V519-Y522 PolarHBondContact O-N 3.13Å; V519-F523 HydrophobicContact CG1-CD2 3.86Å; V519-F523 HydrophobicContact CG1-CE2 3.51Å; V519-F523 VanDerWaalsContact O-CD2 3.26Å; V519-F523 WeakPolarHBondContact O-CD2 3.23Å; V519-F523 PolarHBondContact O-N 3.06Å; V519-F523 VanDerWaalsContact O-N 3.07Å
520	I	90.8	Very high	91.6	Very high	33 Å²	33	22.4 Å²	22.4	17%	0.169	13%	0.128	C	C	.	.	H	α-helix	trans	-69.6	-38.6	-177.9	-57.5	-63.2	0	0	0	111.3	A471 V516 Y522 F523 L524 I539	A471-I520 HydrophobicContact CB-CG1 4.3Å; V516-I520 HydrophobicContact CG1-CG1 4.44Å; V516-I520 WeakPolarHBondContact O-CG1 3.18Å; V516-I520 PolarHBondContact O-N 3.47Å; I520-Y522 VanDerWaalsContact C-N 3.29Å; I520-Y522 PolarHBondContact O-N 3.46Å; I520-F523 PolarHBondContact O-N 3.41Å; I520-L524 WeakPolarHBondContact O-CB 2.93Å; I520-L524 PolarHBondContact O-N 3.11Å; I520-I539 HydrophobicContact CB-CD1 4.01Å; I520-I539 HydrophobicContact CB-CG2 4.22Å; I520-I539 HydrophobicContact CG1-CG2 4.15Å; I520-I539 HydrophobicContact CG2-CD1 3.37Å; I520-I539 HydrophobicContact CG2-CG1 4.36Å
521	V	92.9	Very high	91.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-40.3	174.2	169.3	0	0	0	0	110.5	S517 V518 F523 L524 L525 W532 A536 A593 V597	S517-V521 VanDerWaalsContact O-CB 3.32Å; S517-V521 WeakPolarHBondContact O-CB 3.48Å; S517-V521 VanDerWaalsContact O-CG2 3.22Å; S517-V521 WeakPolarHBondContact O-CG2 3.44Å; S517-V521 PolarHBondContact O-N 2.6Å; V518-V521 PolarHBondContact O-N 2.8Å; V521-F523 PolarHBondContact O-N 2.94Å; V521-L524 WeakPolarHBondContact O-CB 3.29Å; V521-L524 PolarHBondContact O-N 3.48Å; V521-L525 HydrophobicContact CG1-CD1 4.19Å; V521-L525 HydrophobicContact CG1-CG 4.28Å; V521-L525 VanDerWaalsContact O-CG 3.26Å; V521-L525 WeakPolarHBondContact O-CG 3.42Å; V521-L525 PolarHBondContact O-N 3.38Å; V521-W532 HydrophobicContact CG1-CB 4.12Å; V521-A536 HydrophobicContact CG2-CB 3.86Å; V521-A593 HydrophobicContact CB-CB 4.36Å; V521-A593 HydrophobicContact CG1-CB 4.44Å; V521-A593 HydrophobicContact CG2-CB 3.84Å; V521-V597 HydrophobicContact CG1-CG2 3.89Å
522	Y	90.2	Very high	91.7	Very high	24 Å²	24	22 Å²	22	9%	0.094	12%	0.12	C	C	.	.	H	α-helix	trans	-60	-47.8	174.2	172.7	-101.3	0	0	0	112.5	I265 I269 V518 V519 I520 L524 L525 A526 F596	I265-Y522 HydrophobicContact CG2-CD1 3.82Å; I265-Y522 HydrophobicContact CG2-CE1 4.03Å; I269-Y522 HydrophobicContact CD1-CD1 4.28Å; I269-Y522 HydrophobicContact CD1-CD2 3.72Å; I269-Y522 HydrophobicContact CD1-CE1 4.01Å; I269-Y522 HydrophobicContact CD1-CE2 3.41Å; I269-Y522 VanDerWaalsContact CD1-CE2 3.41Å; I269-Y522 HydrophobicContact CD1-CG 4.15Å; I269-Y522 HydrophobicContact CG1-CD2 4.38Å; I269-Y522 HydrophobicContact CG1-CE1 4Å; I269-Y522 HydrophobicContact CG1-CE2 3.58Å; I269-Y522 VanDerWaalsContact CG1-OH 3.32Å; I269-Y522 WeakPolarHBondContact CG1-OH 3.24Å; V518-Y522 WeakPolarHBondContact O-CB 2.8Å; V518-Y522 PolarHBondContact O-N 2.67Å; V519-Y522 WeakPolarHBondContact O-CB 2.96Å; V519-Y522 PolarHBondContact O-N 3.13Å; I520-Y522 VanDerWaalsContact C-N 3.29Å; I520-Y522 PolarHBondContact O-N 3.46Å; Y522-L524 VanDerWaalsContact C-N 3.26Å; Y522-L524 PolarHBondContact O-N 3.49Å; Y522-L525 PolarHBondContact O-N 3.48Å; Y522-A526 WeakPolarHBondContact O-CB 3.33Å; Y522-A526 PolarHBondContact O-N 2.94Å; Y522-F596 HydrophobicContact CD2-CE1 4.42Å; Y522-F596 AromaticContact CD2-CZ 3.96Å; Y522-F596 HydrophobicContact CD2-CZ 3.96Å; Y522-F596 HydrophobicContact CG-CZ 4.36Å
523	F	89.9	Confident	92	Very high	77 Å²	77	22.3 Å²	22.3	34%	0.338	12%	0.121	S	C	.	.	H	α-helix	trans	-61.5	-36.5	177	-72.2	-56.5	0	0	0	112.6	I265 L462 V519 I520 V521 A526 A527	I265-F523 HydrophobicContact CD1-CE2 4.19Å; I265-F523 HydrophobicContact CD1-CZ 4.14Å; I265-F523 HydrophobicContact CG1-CZ 4.48Å; L462-F523 HydrophobicContact CD2-CB 3.93Å; V519-F523 HydrophobicContact CG1-CD2 3.86Å; V519-F523 HydrophobicContact CG1-CE2 3.51Å; V519-F523 VanDerWaalsContact O-CD2 3.26Å; V519-F523 WeakPolarHBondContact O-CD2 3.23Å; V519-F523 PolarHBondContact O-N 3.06Å; V519-F523 VanDerWaalsContact O-N 3.07Å; I520-F523 PolarHBondContact O-N 3.41Å; V521-F523 PolarHBondContact O-N 2.94Å; F523-A526 PolarHBondContact O-N 3.25Å; F523-A527 PolarHBondContact O-N 2.74Å
524	L	92.3	Very high	92.1	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-61.6	-46.1	174.5	-176.2	73.4	0	0	0	111.9	I520 V521 Y522 A527 N529 W532 R535	I520-L524 WeakPolarHBondContact O-CB 2.93Å; I520-L524 PolarHBondContact O-N 3.11Å; V521-L524 WeakPolarHBondContact O-CB 3.29Å; V521-L524 PolarHBondContact O-N 3.48Å; Y522-L524 VanDerWaalsContact C-N 3.26Å; Y522-L524 PolarHBondContact O-N 3.49Å; L524-A527 CarbonylContact O-C 3.54Å; L524-A527 PolarHBondContact O-N 3.01Å; L524-N529 HydrophobicContact CD1-CB 3.64Å; L524-N529 WeakPolarHBondContact CD1-ND2 3.39Å; L524-N529 HydrophobicContact CG-CB 3.92Å; L524-N529 WeakPolarHBondContact CG-O 3.49Å; L524-N529 PolarHBondContact O-N 3.37Å; L524-N529 VanDerWaalsContact O-N 3.1Å; L524-W532 HydrophobicContact CD2-CB 3.77Å; L524-R535 HydrophobicContact CD2-CB 4.39Å; L524-R535 VanDerWaalsContact CD2-CD 3.49Å
525	L	91.5	Very high	92.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-68.9	-36.8	178	-62	-175.9	0	0	0	111.7	W292 I295 I299 V521 Y522 A527 E528 V597 Y601	W292-L525 WeakPolarHBondContact CA-O 3.21Å; W292-L525 HydrophobicContact CB-CB 3.74Å; W292-L525 WeakPolarHBondContact CB-O 3.41Å; W292-L525 PolarHBondContact N-O 3.39Å; I295-L525 HydrophobicContact CD1-CB 4.26Å; I295-L525 HydrophobicContact CD1-CD2 3.73Å; I299-L525 HydrophobicContact CD1-CD1 3.96Å; I299-L525 HydrophobicContact CD1-CD2 3.23Å; I299-L525 HydrophobicContact CD1-CG 4.23Å; V521-L525 HydrophobicContact CG1-CD1 4.19Å; V521-L525 HydrophobicContact CG1-CG 4.28Å; V521-L525 VanDerWaalsContact O-CG 3.26Å; V521-L525 WeakPolarHBondContact O-CG 3.42Å; V521-L525 PolarHBondContact O-N 3.38Å; Y522-L525 PolarHBondContact O-N 3.48Å; L525-A527 PolarHBondContact O-N 2.91Å; L525-E528 PolarHBondContact O-N 2.73Å; L525-V597 HydrophobicContact CD1-CG2 4.01Å; L525-Y601 HydrophobicContact CD1-CE2 4.12Å
526	A	88	Confident	92.4	Very high	40 Å²	40	24.2 Å²	24.2	33%	0.331	12%	0.121	S	C	.	.	H	α-helix	trans	-63.7	-27.6	174.8	0	0	0	0	0	112.4	Y522 F523 E528	Y522-A526 WeakPolarHBondContact O-CB 3.33Å; Y522-A526 PolarHBondContact O-N 2.94Å; F523-A526 PolarHBondContact O-N 3.25Å; A526-E528 VanDerWaalsContact C-N 3.25Å; A526-E528 PolarHBondContact O-N 2.91Å
527	A	90.1	Very high	92.7	Very high	23 Å²	23	23.5 Å²	23.5	19%	0.19	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	20.9	171.1	0	0	0	0	0	113.4	Q458 L462 F523 L524 L525 N529	Q458-A527 PolarHBondContact NE2-O 3.48Å; L462-A527 HydrophobicContact CD1-CB 3.39Å; F523-A527 PolarHBondContact O-N 2.74Å; L524-A527 CarbonylContact O-C 3.54Å; L524-A527 PolarHBondContact O-N 3.01Å; L525-A527 PolarHBondContact O-N 2.91Å; A527-N529 PolarHBondContact O-N 3.4Å; A527-N529 VanDerWaalsContact O-N 3.13Å
528	E	90.9	Very high	92.9	Very high	40 Å²	40	26.4 Å²	26.4	19%	0.187	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	24.8	175.9	-54.1	-173	-176.6	0	0	114.8	G291 I295 R453 P456 L525 A526	G291-E528 PolarHBondContact N-OE1 3.01Å; I295-E528 HydrophobicContact CG2-CB 4.04Å; R453-E528 IonicContact CZ-OE2 3.75Å; R453-E528 IonicContact NE-OE2 3.86Å; R453-E528 IonicContact NH2-OE2 3.93Å; R453-E528 PolarHBondContact NH2-OE2 3.3Å; P456-E528 HydrophobicContact CG-CB 3.85Å; L525-E528 PolarHBondContact O-N 2.73Å; A526-E528 VanDerWaalsContact C-N 3.25Å; A526-E528 PolarHBondContact O-N 2.91Å
529	N	92.6	Very high	93	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.021	13%	0.126	C	C	.	.			trans	-102.9	105.5	179	-170.8	-12	0	0	0	111.6	V455 Q458 L524 A527 H531 R535	V455-N529 HydrophobicContact CG1-CB 3.78Å; Q458-N529 PolarHBondContact OE1-ND2 3.49Å; L524-N529 HydrophobicContact CD1-CB 3.64Å; L524-N529 WeakPolarHBondContact CD1-ND2 3.39Å; L524-N529 HydrophobicContact CG-CB 3.92Å; L524-N529 WeakPolarHBondContact CG-O 3.49Å; L524-N529 PolarHBondContact O-N 3.37Å; L524-N529 VanDerWaalsContact O-N 3.1Å; A527-N529 PolarHBondContact O-N 3.4Å; A527-N529 VanDerWaalsContact O-N 3.13Å; N529-H531 VanDerWaalsContact C-N 3.28Å; N529-H531 PolarHBondContact O-N 3.23Å; N529-H531 WeakPolarHBondContact OD1-CB 3.47Å; N529-H531 PolarHBondContact OD1-N 3.11Å; N529-H531 VanDerWaalsContact OD1-N 3.09Å; N529-H531 PolarHBondContact OD1-ND1 3.31Å; N529-H531 VanDerWaalsContact OD1-ND1 3.12Å; N529-R535 PolarHBondContact ND2-NH2 2.98Å
530	Y	93.2	Very high	93.3	Very high	24 Å²	24	25.1 Å²	25.1	9%	0.094	12%	0.122	C	C	.	.			trans	-79.6	-1.1	-179	62.5	-95.3	0	0	0	114.3	D298 R453 V455 W532	D298-Y530 HydrophobicContact CB-CD1 3.87Å; D298-Y530 HydrophobicContact CB-CD2 4.07Å; D298-Y530 HydrophobicContact CB-CE1 4.25Å; D298-Y530 HydrophobicContact CB-CE2 4.45Å; D298-Y530 HydrophobicContact CB-CG 3.77Å; R453-Y530 WeakPolarHBondContact O-CE1 3.33Å; V455-Y530 HydrophobicContact CG2-CD1 3.93Å; V455-Y530 HydrophobicContact CG2-CE1 3.48Å; V455-Y530 VanDerWaalsContact CG2-CE1 3.48Å; Y530-W532 PolarHBondContact O-N 2.82Å
531	H	94.1	Very high	93.6	Very high	87 Å²	87	23.5 Å²	23.5	40%	0.403	11%	0.114	S	C	.	.			trans	-80.6	53	-178.1	-61.2	97.1	0	0	0	113.5	N529 R535	N529-H531 VanDerWaalsContact C-N 3.28Å; N529-H531 PolarHBondContact O-N 3.23Å; N529-H531 WeakPolarHBondContact OD1-CB 3.47Å; N529-H531 PolarHBondContact OD1-N 3.11Å; N529-H531 VanDerWaalsContact OD1-N 3.09Å; N529-H531 PolarHBondContact OD1-ND1 3.31Å; N529-H531 VanDerWaalsContact OD1-ND1 3.12Å; H531-R535 VanDerWaalsContact O-CD 3.24Å; H531-R535 WeakPolarHBondContact O-CD 3.44Å; H531-R535 WeakPolarHBondContact O-CG 3.36Å
532	W	95	Very high	93.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-86.4	-26.3	-170.4	68.7	-89.5	0	0	0	114.5	I299 V521 L524 Y530 W534 R535 A536 A593 Y594 V597	I299-W532 HydrophobicContact CD1-CG 4.38Å; I299-W532 PolarHBondContact O-NE1 3.32Å; V521-W532 HydrophobicContact CG1-CB 4.12Å; L524-W532 HydrophobicContact CD2-CB 3.77Å; Y530-W532 PolarHBondContact O-N 2.82Å; W532-W534 PolarHBondContact O-N 3.46Å; W532-R535 PolarHBondContact O-N 2.89Å; W532-R535 VanDerWaalsContact O-N 3.17Å; W532-A536 HydrophobicContact CE3-CB 4.1Å; W532-A536 HydrophobicContact CZ3-CB 4.45Å; W532-A536 WeakPolarHBondContact O-CB 3.33Å; W532-A536 PolarHBondContact O-N 3Å; W532-A593 HydrophobicContact CE3-CB 4.33Å; W532-A593 HydrophobicContact CZ3-CB 4.26Å; W532-Y594 AromaticContact CH2-CD2 3.48Å; W532-Y594 HydrophobicContact CH2-CD2 3.48Å; W532-Y594 VanDerWaalsContact CH2-CD2 3.48Å; W532-Y594 HydrophobicContact CH2-CE2 4.42Å; W532-Y594 HydrophobicContact CH2-CG 4.11Å; W532-Y594 AromaticContact CZ2-CD2 3.98Å; W532-Y594 HydrophobicContact CZ2-CD2 3.98Å; W532-V597 HydrophobicContact CD2-CG2 4.24Å; W532-V597 HydrophobicContact CE3-CG2 4.45Å; W532-V597 HydrophobicContact CZ2-CG1 4.27Å
533	W	95.8	Very high	93.9	Very high	7 Å²	7	22.6 Å²	22.6	3%	0.027	11%	0.111	C	C	.	.	H	α-helix	trans	-52.8	-56.5	-171.2	-62.4	98.7	0	0	0	114.4	F300 R301 P303 L309 F369 F590 Y594	F300-W533 HydrophobicContact CD1-CZ2 4.41Å; R301-W533 PolarHBondContact O-NE1 2.95Å; P303-W533 HydrophobicContact CB-CB 3.74Å; P303-W533 HydrophobicContact CB-CG 3.94Å; P303-W533 HydrophobicContact CG-CB 3.83Å; P303-W533 HydrophobicContact CG-CD2 4.36Å; P303-W533 HydrophobicContact CG-CG 3.85Å; L309-W533 HydrophobicContact CD2-CB 4.02Å; F369-W533 AromaticContact CE1-CD2 4Å; F369-W533 HydrophobicContact CE1-CD2 4Å; F369-W533 AromaticContact CE1-CE3 3.74Å; F369-W533 HydrophobicContact CE1-CE3 3.74Å; F369-W533 AromaticContact CE1-CH2 3.55Å; F369-W533 HydrophobicContact CE1-CH2 3.55Å; F369-W533 AromaticContact CE1-CZ2 3.81Å; F369-W533 HydrophobicContact CE1-CZ2 3.81Å; F369-W533 AromaticContact CE1-CZ3 3.52Å; F369-W533 HydrophobicContact CE1-CZ3 3.52Å; F369-W533 HydrophobicContact CZ-CD2 4.24Å; F369-W533 AromaticContact CZ-CE3 3.71Å; F369-W533 HydrophobicContact CZ-CE3 3.71Å; F369-W533 HydrophobicContact CZ-CH2 4.23Å; F369-W533 AromaticContact CZ-CZ3 3.71Å; F369-W533 HydrophobicContact CZ-CZ3 3.71Å; W533-F590 AromaticContact CE3-CE2 3.67Å; W533-F590 HydrophobicContact CE3-CE2 3.67Å; W533-F590 AromaticContact CE3-CZ 3.77Å; W533-F590 HydrophobicContact CE3-CZ 3.77Å; W533-F590 HydrophobicContact CZ3-CE2 4.3Å; W533-F590 AromaticContact CZ3-CZ 3.95Å; W533-F590 HydrophobicContact CZ3-CZ 3.95Å; W533-Y594 AromaticContact CH2-CD2 3.93Å; W533-Y594 HydrophobicContact CH2-CD2 3.93Å; W533-Y594 AromaticContact CH2-CE2 3.55Å; W533-Y594 HydrophobicContact CH2-CE2 3.55Å; W533-Y594 AromaticContact CZ3-CD2 3.79Å; W533-Y594 HydrophobicContact CZ3-CD2 3.79Å; W533-Y594 AromaticContact CZ3-CE2 3.81Å; W533-Y594 HydrophobicContact CZ3-CE2 3.81Å
534	W	96.5	Very high	94.3	Very high	44 Å²	44	19.1 Å²	19.1	17%	0.167	10%	0.097	C	C	.	.	H	α-helix	trans	-70.3	-39.5	177.5	-79.5	108.4	0	0	0	111.7	P304 R305 L308 L309 L312 W532 A536 F537 F538	P304-W534 PolarHBondContact O-NE1 2.72Å; R305-W534 HydrophobicContact CB-CZ2 4.23Å; L308-W534 HydrophobicContact CB-CH2 4.08Å; L308-W534 HydrophobicContact CB-CZ2 4.32Å; L308-W534 HydrophobicContact CD2-CH2 3.97Å; L308-W534 HydrophobicContact CG-CH2 3.9Å; L309-W534 HydrophobicContact CB-CD2 4.47Å; L309-W534 HydrophobicContact CB-CH2 3.66Å; L309-W534 HydrophobicContact CB-CZ2 3.55Å; L309-W534 HydrophobicContact CB-CZ3 4.17Å; L309-W534 HydrophobicContact CD1-CD2 4.04Å; L309-W534 HydrophobicContact CD1-CE3 3.68Å; L309-W534 HydrophobicContact CD1-CH2 4.13Å; L309-W534 HydrophobicContact CD1-CZ2 4.47Å; L309-W534 HydrophobicContact CD1-CZ3 3.73Å; L309-W534 HydrophobicContact CG-CH2 4.49Å; L309-W534 HydrophobicContact CG-CZ2 4.49Å; L312-W534 HydrophobicContact CD1-CH2 4.02Å; L312-W534 HydrophobicContact CD1-CZ3 3.82Å; W532-W534 PolarHBondContact O-N 3.46Å; W534-A536 VanDerWaalsContact C-N 3.34Å; W534-A536 PolarHBondContact O-N 3Å; W534-F537 WeakPolarHBondContact O-CB 3.42Å; W534-F537 PolarHBondContact O-N 2.84Å; W534-F537 VanDerWaalsContact O-N 3.16Å; W534-F538 HydrophobicContact CB-CD2 4.4Å; W534-F538 HydrophobicContact CE3-CD2 4.26Å; W534-F538 AromaticContact CE3-CE2 3.7Å; W534-F538 HydrophobicContact CE3-CE2 3.7Å; W534-F538 HydrophobicContact CZ3-CE2 4.31Å; W534-F538 VanDerWaalsContact O-CD2 3.28Å; W534-F538 WeakPolarHBondContact O-CD2 3.47Å; W534-F538 PolarHBondContact O-N 3.03Å
535	R	95.2	Very high	94.4	Very high	50 Å²	50	22.1 Å²	22.1	19%	0.189	11%	0.112	C	C	.	.	H	α-helix	trans	-59.3	-46.4	-179.1	-66.7	-177.4	175.6	-134.7	1.1	110.8	L462 L464 L524 N529 H531 W532 F537 F538 I539	L462-R535 PolarHBondContact O-NH1 2.78Å; L464-R535 HydrophobicContact CD1-CG 4.31Å; L524-R535 HydrophobicContact CD2-CB 4.39Å; L524-R535 VanDerWaalsContact CD2-CD 3.49Å; N529-R535 PolarHBondContact ND2-NH2 2.98Å; H531-R535 VanDerWaalsContact O-CD 3.24Å; H531-R535 WeakPolarHBondContact O-CD 3.44Å; H531-R535 WeakPolarHBondContact O-CG 3.36Å; W532-R535 PolarHBondContact O-N 2.89Å; W532-R535 VanDerWaalsContact O-N 3.17Å; R535-F537 VanDerWaalsContact C-N 3.29Å; R535-F537 PolarHBondContact O-N 2.81Å; R535-F538 PolarHBondContact O-N 3.17Å; R535-I539 HydrophobicContact CB-CD1 4.08Å; R535-I539 VanDerWaalsContact O-CB 3.23Å; R535-I539 WeakPolarHBondContact O-CB 3.34Å; R535-I539 VanDerWaalsContact O-CD1 3.28Å; R535-I539 WeakPolarHBondContact O-CD1 3.46Å; R535-I539 WeakPolarHBondContact O-CG1 3.07Å; R535-I539 PolarHBondContact O-N 3.23Å
536	A	96.2	Very high	94.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-56.8	-41.9	176.5	0	0	0	0	0	112.5	S517 V521 W532 W534 G540 A593	S517-A536 PolarHBondContact OG-O 3.17Å; V521-A536 HydrophobicContact CG2-CB 3.86Å; W532-A536 HydrophobicContact CE3-CB 4.1Å; W532-A536 HydrophobicContact CZ3-CB 4.45Å; W532-A536 WeakPolarHBondContact O-CB 3.33Å; W532-A536 PolarHBondContact O-N 3Å; W534-A536 VanDerWaalsContact C-N 3.34Å; W534-A536 PolarHBondContact O-N 3Å; A536-G540 PolarHBondContact O-N 3.29Å; A536-A593 HydrophobicContact CB-CB 3.62Å
537	F	97.4	Very high	95	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.8	-49.2	177.1	-174.4	-97.7	0	0	0	112.2	L309 L312 V313 W534 R535 G540 G541 W582 L583 G586 F590	L309-F537 HydrophobicContact CD1-CB 4.1Å; L309-F537 HydrophobicContact CD1-CD2 4.45Å; L309-F537 HydrophobicContact CD1-CG 4.14Å; L312-F537 HydrophobicContact CB-CE1 4.2Å; L312-F537 HydrophobicContact CB-CE2 4.46Å; L312-F537 HydrophobicContact CB-CZ 3.81Å; L312-F537 HydrophobicContact CD1-CE1 4.28Å; V313-F537 HydrophobicContact CG2-CD2 3.83Å; V313-F537 HydrophobicContact CG2-CE2 3.96Å; W534-F537 WeakPolarHBondContact O-CB 3.42Å; W534-F537 PolarHBondContact O-N 2.84Å; W534-F537 VanDerWaalsContact O-N 3.16Å; R535-F537 VanDerWaalsContact C-N 3.29Å; R535-F537 PolarHBondContact O-N 2.81Å; F537-G540 PolarHBondContact O-N 3.43Å; F537-G541 PolarHBondContact O-N 2.81Å; F537-G541 VanDerWaalsContact O-N 3.1Å; F537-W582 HydrophobicContact CD1-CH2 4.27Å; F537-W582 AromaticContact CD1-CZ2 3.92Å; F537-W582 HydrophobicContact CD1-CZ2 3.92Å; F537-W582 AromaticContact CE1-CH2 3.49Å; F537-W582 HydrophobicContact CE1-CH2 3.49Å; F537-W582 VanDerWaalsContact CE1-CH2 3.49Å; F537-W582 AromaticContact CE1-CZ2 3.48Å; F537-W582 HydrophobicContact CE1-CZ2 3.48Å; F537-W582 VanDerWaalsContact CE1-CZ2 3.48Å; F537-W582 HydrophobicContact CE1-CZ3 4.01Å; F537-W582 HydrophobicContact CZ-CH2 4.42Å; F537-L583 HydrophobicContact CZ-CD2 3.91Å; F537-G586 WeakPolarHBondContact CD2-O 3.34Å; F537-G586 WeakPolarHBondContact O-CA 3.48Å; F537-F590 HydrophobicContact CB-CB 4.47Å; F537-F590 HydrophobicContact CD2-CB 4.24Å
538	F	96.8	Very high	95.3	Very high	61 Å²	61	24.3 Å²	24.3	27%	0.268	11%	0.109	S	C	.	.	H	α-helix	trans	-66	-40.9	179.1	-84.2	-76.1	0	0	0	113	L464 M468 W534 R535 G541 S542 W582	L464-F538 HydrophobicContact CD1-CB 4.01Å; M468-F538 HydrophobicContact CG-CB 4.43Å; M468-F538 HydrophobicContact SD-CB 3.78Å; M468-F538 HydrophobicContact SD-CD1 4.04Å; M468-F538 HydrophobicContact SD-CG 4.26Å; W534-F538 HydrophobicContact CB-CD2 4.4Å; W534-F538 HydrophobicContact CE3-CD2 4.26Å; W534-F538 AromaticContact CE3-CE2 3.7Å; W534-F538 HydrophobicContact CE3-CE2 3.7Å; W534-F538 HydrophobicContact CZ3-CE2 4.31Å; W534-F538 VanDerWaalsContact O-CD2 3.28Å; W534-F538 WeakPolarHBondContact O-CD2 3.47Å; W534-F538 PolarHBondContact O-N 3.03Å; R535-F538 PolarHBondContact O-N 3.17Å; F538-G541 PolarHBondContact O-N 3.32Å; F538-S542 PolarHBondContact O-N 2.93Å; F538-W582 AromaticContact CD1-CZ2 3.64Å; F538-W582 HydrophobicContact CD1-CZ2 3.64Å; F538-W582 HydrophobicContact CE1-CH2 4.15Å; F538-W582 AromaticContact CE1-CZ2 3.42Å; F538-W582 HydrophobicContact CE1-CZ2 3.42Å; F538-W582 VanDerWaalsContact CE1-CZ2 3.42Å; F538-W582 HydrophobicContact CG-CZ2 4.44Å; F538-W582 HydrophobicContact CZ-CH2 4.47Å; F538-W582 HydrophobicContact CZ-CZ2 4.05Å
539	I	94.9	Very high	95.6	Very high	4 Å²	4	27 Å²	27	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-65	-46.4	177.3	-69.7	160.3	0	0	0	110.2	A471 V516 I520 R535 G541 S542	A471-I539 HydrophobicContact CB-CG2 3.74Å; V516-I539 HydrophobicContact CG1-CG2 4.43Å; I520-I539 HydrophobicContact CB-CD1 4.01Å; I520-I539 HydrophobicContact CB-CG2 4.22Å; I520-I539 HydrophobicContact CG1-CG2 4.15Å; I520-I539 HydrophobicContact CG2-CD1 3.37Å; I520-I539 HydrophobicContact CG2-CG1 4.36Å; R535-I539 HydrophobicContact CB-CD1 4.08Å; R535-I539 VanDerWaalsContact O-CB 3.23Å; R535-I539 WeakPolarHBondContact O-CB 3.34Å; R535-I539 VanDerWaalsContact O-CD1 3.28Å; R535-I539 WeakPolarHBondContact O-CD1 3.46Å; R535-I539 WeakPolarHBondContact O-CG1 3.07Å; R535-I539 PolarHBondContact O-N 3.23Å; I539-G541 VanDerWaalsContact C-N 3.25Å; I539-G541 PolarHBondContact O-N 2.85Å; I539-S542 VanDerWaalsContact O-CB 3.3Å; I539-S542 WeakPolarHBondContact O-CB 3.38Å; I539-S542 PolarHBondContact O-N 3.07Å; I539-S542 VanDerWaalsContact O-N 3.14Å; I539-S542 PolarHBondContact O-OG 2.96Å
540	G	95.3	Very high	95.7	Very high	4 Å²	4	27.6 Å²	27.6	4%	0.041	13%	0.126	C	C	.	.	H	α-helix	trans	-58.2	-38.8	175.9	0	0	0	0	0	112.6	A536 F537 A585	A536-G540 PolarHBondContact O-N 3.29Å; F537-G540 PolarHBondContact O-N 3.43Å; G540-A585 CarbonylContact C-O 3.45Å; G540-A585 CarbonylContact O-C 3.58Å; G540-A585 WeakPolarHBondContact O-CB 3.09Å
541	G	95.9	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-80.3	-11	178.5	0	0	0	0	0	115.3	F537 F538 I539 Q543 A544 W582	F537-G541 PolarHBondContact O-N 2.81Å; F537-G541 VanDerWaalsContact O-N 3.1Å; F538-G541 PolarHBondContact O-N 3.32Å; I539-G541 VanDerWaalsContact C-N 3.25Å; I539-G541 PolarHBondContact O-N 2.85Å; G541-Q543 PolarHBondContact O-N 2.79Å; G541-Q543 VanDerWaalsContact O-N 3.08Å; G541-A544 VanDerWaalsContact O-CB 3.23Å; G541-A544 WeakPolarHBondContact O-CB 3.49Å; G541-A544 PolarHBondContact O-N 2.88Å; G541-W582 VanDerWaalsContact O-CD1 3.3Å
542	S	96.1	Very high	95.9	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.021	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.4	-167.1	59.4	0	0	0	0	115.3	M468 G472 F538 I539 A544 I545	M468-S542 WeakPolarHBondContact O-CB 3.36Å; M468-S542 PolarHBondContact O-OG 3.16Å; G472-S542 WeakPolarHBondContact CA-OG 2.99Å; G472-S542 PolarHBondContact N-OG 2.92Å; G472-S542 VanDerWaalsContact N-OG 3.14Å; F538-S542 PolarHBondContact O-N 2.93Å; I539-S542 VanDerWaalsContact O-CB 3.3Å; I539-S542 WeakPolarHBondContact O-CB 3.38Å; I539-S542 PolarHBondContact O-N 3.07Å; I539-S542 VanDerWaalsContact O-N 3.14Å; I539-S542 PolarHBondContact O-OG 2.96Å; S542-A544 PolarHBondContact O-N 2.9Å; S542-A544 VanDerWaalsContact O-N 3.09Å; S542-I545 WeakPolarHBondContact O-CB 3.47Å; S542-I545 WeakPolarHBondContact O-CG1 3.5Å; S542-I545 PolarHBondContact O-N 2.87Å
543	Q	95	Very high	95.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-56.8	-22.4	174.1	51.8	168	-0.8	0	0	114.5	P475 F476 L509 G541 I545 Y546 V547 F581 A585	P475-Q543 HydrophobicContact CB-CB 4.31Å; P475-Q543 HydrophobicContact CB-CG 4.5Å; F476-Q543 HydrophobicContact CB-CB 4.29Å; L509-Q543 VanDerWaalsContact CD1-CD 3.5Å; G541-Q543 PolarHBondContact O-N 2.79Å; G541-Q543 VanDerWaalsContact O-N 3.08Å; Q543-I545 PolarHBondContact O-N 3.39Å; Q543-Y546 WeakPolarHBondContact O-CB 3.17Å; Q543-Y546 PolarHBondContact O-N 2.95Å; Q543-Y546 VanDerWaalsContact O-N 3.09Å; Q543-V547 PolarHBondContact O-N 2.85Å; Q543-V547 VanDerWaalsContact O-N 3.07Å; Q543-F581 HydrophobicContact CB-CE1 4.31Å; Q543-F581 VanDerWaalsContact CD-CE1 3.48Å; Q543-F581 HydrophobicContact CG-CD1 4.49Å; Q543-F581 HydrophobicContact CG-CE1 3.64Å; Q543-F581 HydrophobicContact CG-CZ 4.34Å; Q543-A585 HydrophobicContact CG-CB 4.33Å
544	A	96.7	Very high	95.8	Very high	5 Å²	5	31 Å²	31	4%	0.041	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-29	174.1	0	0	0	0	0	113.3	G541 S542 Y546 V547 F548 S578 F581 W582	G541-A544 VanDerWaalsContact O-CB 3.23Å; G541-A544 WeakPolarHBondContact O-CB 3.49Å; G541-A544 PolarHBondContact O-N 2.88Å; S542-A544 PolarHBondContact O-N 2.9Å; S542-A544 VanDerWaalsContact O-N 3.09Å; A544-Y546 VanDerWaalsContact C-N 3.28Å; A544-Y546 PolarHBondContact O-N 2.74Å; A544-V547 PolarHBondContact O-N 3.07Å; A544-F548 PolarHBondContact O-N 2.94Å; A544-S578 WeakPolarHBondContact CB-O 3.35Å; A544-F581 HydrophobicContact CB-CD1 3.92Å; A544-W582 HydrophobicContact CB-CB 3.54Å; A544-W582 HydrophobicContact CB-CG 4.37Å
545	I	96.1	Very high	95.7	Very high	67 Å²	67	30.6 Å²	30.6	34%	0.344	14%	0.141	S	C	.	.	H	α-helix	trans	-61.3	-43.4	174.2	-60.9	170.9	0	0	0	109.2	S542 Q543 F548 L549	S542-I545 WeakPolarHBondContact O-CB 3.47Å; S542-I545 WeakPolarHBondContact O-CG1 3.5Å; S542-I545 PolarHBondContact O-N 2.87Å; Q543-I545 PolarHBondContact O-N 3.39Å; I545-F548 PolarHBondContact O-N 3.01Å; I545-L549 HydrophobicContact CG2-CD1 4.16Å; I545-L549 HydrophobicContact CG2-CG 4.48Å; I545-L549 WeakPolarHBondContact O-CG 3.45Å; I545-L549 PolarHBondContact O-N 2.95Å
546	Y	95.9	Very high	95.6	Very high	40 Å²	40	34.9 Å²	34.9	16%	0.157	17%	0.165	C	C	.	.	H	α-helix	trans	-70.1	-35.8	178.1	-66.9	-79.1	0	0	0	112.7	L469 I473 F476 Q543 A544 F548 L549 Y550	L469-Y546 WeakPolarHBondContact O-CE2 3.02Å; L469-Y546 PolarHBondContact O-OH 2.8Å; I473-Y546 HydrophobicContact CG1-CE1 3.86Å; I473-Y546 HydrophobicContact CG1-CE2 3.86Å; I473-Y546 VanDerWaalsContact CG1-OH 3.23Å; I473-Y546 WeakPolarHBondContact CG1-OH 2.97Å; F476-Y546 HydrophobicContact CB-CD2 4.47Å; F476-Y546 HydrophobicContact CB-CG 4.25Å; F476-Y546 HydrophobicContact CD1-CD1 4.45Å; F476-Y546 HydrophobicContact CD1-CG 4.23Å; F476-Y546 WeakPolarHBondContact CE2-O 3.18Å; F476-Y546 HydrophobicContact CG-CG 4.1Å; Q543-Y546 WeakPolarHBondContact O-CB 3.17Å; Q543-Y546 PolarHBondContact O-N 2.95Å; Q543-Y546 VanDerWaalsContact O-N 3.09Å; A544-Y546 VanDerWaalsContact C-N 3.28Å; A544-Y546 PolarHBondContact O-N 2.74Å; Y546-F548 VanDerWaalsContact C-N 3.3Å; Y546-F548 PolarHBondContact O-N 3.32Å; Y546-L549 HydrophobicContact CD1-CD1 4.49Å; Y546-L549 PolarHBondContact O-N 2.92Å; Y546-Y550 WeakPolarHBondContact O-CB 3.28Å; Y546-Y550 PolarHBondContact O-N 2.78Å
547	V	96.1	Very high	95.4	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-59	-43.8	170.8	174	0	0	0	0	110.8	F476 L483 Q543 A544 Y550 S551 F581	F476-V547 HydrophobicContact CD2-CG2 4.22Å; F476-V547 HydrophobicContact CE2-CG2 4.47Å; L483-V547 HydrophobicContact CD1-CG1 4.19Å; L483-V547 HydrophobicContact CD2-CB 4.38Å; L483-V547 HydrophobicContact CD2-CG1 4.15Å; L483-V547 HydrophobicContact CD2-CG2 4.12Å; Q543-V547 PolarHBondContact O-N 2.85Å; Q543-V547 VanDerWaalsContact O-N 3.07Å; A544-V547 PolarHBondContact O-N 3.07Å; V547-Y550 PolarHBondContact O-N 3.34Å; V547-S551 PolarHBondContact O-N 3.06Å; V547-F581 HydrophobicContact CG2-CD1 3.93Å; V547-F581 HydrophobicContact CG2-CE1 3.68Å; V547-F581 HydrophobicContact CG2-CZ 4.26Å
548	F	96.5	Very high	94.9	Very high	67 Å²	67	43.7 Å²	43.7	29%	0.294	21%	0.209	S	C	.	.	H	α-helix	trans	-67.2	-46.4	176.7	-174.6	-106.7	0	0	0	112.3	A544 I545 Y546 Y550 S551 V552 F575	A544-F548 PolarHBondContact O-N 2.94Å; I545-F548 PolarHBondContact O-N 3.01Å; Y546-F548 VanDerWaalsContact C-N 3.3Å; Y546-F548 PolarHBondContact O-N 3.32Å; F548-Y550 VanDerWaalsContact C-N 3.26Å; F548-Y550 PolarHBondContact O-N 3.01Å; F548-S551 WeakPolarHBondContact O-CA 3.32Å; F548-S551 WeakPolarHBondContact O-CB 3.39Å; F548-S551 PolarHBondContact O-N 3.23Å; F548-S551 PolarHBondContact O-OG 3.1Å; F548-V552 HydrophobicContact CE1-CG2 4.36Å; F548-V552 PolarHBondContact O-N 2.73Å; F548-V552 VanDerWaalsContact O-N 3.14Å; F548-F575 HydrophobicContact CE2-CB 4.06Å; F548-F575 HydrophobicContact CE2-CD2 4.3Å
549	L	96.2	Very high	94.5	Very high	97 Å²	97	41.2 Å²	41.2	51%	0.508	20%	0.199	S	C	.	.	H	α-helix	trans	-59.9	-38.5	175.8	-70.7	174.7	0	0	0	111.9	I545 Y546 S551 V552 Y553	I545-L549 HydrophobicContact CG2-CD1 4.16Å; I545-L549 HydrophobicContact CG2-CG 4.48Å; I545-L549 WeakPolarHBondContact O-CG 3.45Å; I545-L549 PolarHBondContact O-N 2.95Å; Y546-L549 HydrophobicContact CD1-CD1 4.49Å; Y546-L549 PolarHBondContact O-N 2.92Å; L549-S551 VanDerWaalsContact C-N 3.31Å; L549-S551 PolarHBondContact O-N 2.74Å; L549-V552 WeakPolarHBondContact O-CB 3.23Å; L549-V552 PolarHBondContact O-N 2.83Å; L549-Y553 PolarHBondContact O-N 3.47Å
550	Y	95.4	Very high	94	Very high	15 Å²	15	48.3 Å²	48.3	6%	0.059	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-37.5	173.7	-178	-105.6	0	0	0	112.1	F476 F480 L483 F484 Y546 V547 F548 V552 Y553 Y554	F476-Y550 HydrophobicContact CZ-CD2 4.46Å; F476-Y550 HydrophobicContact CZ-CG 4.32Å; F480-Y550 HydrophobicContact CD2-CD2 4.07Å; F480-Y550 HydrophobicContact CD2-CE2 4.01Å; F480-Y550 AromaticContact CE2-CD2 3.46Å; F480-Y550 HydrophobicContact CE2-CD2 3.46Å; F480-Y550 VanDerWaalsContact CE2-CD2 3.46Å; F480-Y550 AromaticContact CE2-CE2 3.19Å; F480-Y550 HydrophobicContact CE2-CE2 3.19Å; F480-Y550 HydrophobicContact CE2-CG 4.43Å; F480-Y550 HydrophobicContact CZ-CD2 4.42Å; F480-Y550 AromaticContact CZ-CE2 3.79Å; F480-Y550 HydrophobicContact CZ-CE2 3.79Å; L483-Y550 HydrophobicContact CD2-CD1 3.44Å; L483-Y550 VanDerWaalsContact CD2-CD1 3.44Å; L483-Y550 HydrophobicContact CD2-CE1 4.07Å; L483-Y550 HydrophobicContact CD2-CG 4.06Å; L483-Y550 HydrophobicContact CG-CD1 3.91Å; L483-Y550 HydrophobicContact CG-CE1 4.09Å; F484-Y550 WeakPolarHBondContact CB-OH 3.44Å; F484-Y550 VanDerWaalsContact CD2-OH 3.31Å; F484-Y550 WeakPolarHBondContact CD2-OH 3.28Å; Y546-Y550 WeakPolarHBondContact O-CB 3.28Å; Y546-Y550 PolarHBondContact O-N 2.78Å; V547-Y550 PolarHBondContact O-N 3.34Å; F548-Y550 VanDerWaalsContact C-N 3.26Å; F548-Y550 PolarHBondContact O-N 3.01Å; Y550-V552 VanDerWaalsContact C-N 3.29Å; Y550-V552 PolarHBondContact O-N 3.13Å; Y550-Y553 HydrophobicContact CD2-CD1 4.02Å; Y550-Y553 AromaticContact CE2-CD1 3.85Å; Y550-Y553 HydrophobicContact CE2-CD1 3.85Å; Y550-Y553 HydrophobicContact CE2-CE1 4.28Å; Y550-Y553 WeakPolarHBondContact O-CB 3.29Å; Y550-Y553 PolarHBondContact O-N 2.84Å; Y550-Y554 HydrophobicContact CE1-CD2 4.25Å; Y550-Y554 WeakPolarHBondContact O-CB 2.9Å; Y550-Y554 PolarHBondContact O-N 3.15Å
551	S	95.2	Very high	93.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-39.8	173.6	80.4	0	0	0	0	112.1	V547 F548 L549 Y554 Y555 Y570	V547-S551 PolarHBondContact O-N 3.06Å; F548-S551 WeakPolarHBondContact O-CA 3.32Å; F548-S551 WeakPolarHBondContact O-CB 3.39Å; F548-S551 PolarHBondContact O-N 3.23Å; F548-S551 PolarHBondContact O-OG 3.1Å; L549-S551 VanDerWaalsContact C-N 3.31Å; L549-S551 PolarHBondContact O-N 2.74Å; S551-Y554 PolarHBondContact O-N 3.09Å; S551-Y555 WeakPolarHBondContact O-CB 2.95Å; S551-Y555 PolarHBondContact O-N 2.92Å; S551-Y570 PolarHBondContact O-OH 3.21Å
552	V	95.8	Very high	93	Very high	53 Å²	53	52.3 Å²	52.3	32%	0.321	26%	0.255	S	S	.	.	H	α-helix	trans	-63.8	-45.6	174.1	-178.4	0	0	0	0	110.7	F548 L549 Y550 Y554 Y555 M556 F571	F548-V552 HydrophobicContact CE1-CG2 4.36Å; F548-V552 PolarHBondContact O-N 2.73Å; F548-V552 VanDerWaalsContact O-N 3.14Å; L549-V552 WeakPolarHBondContact O-CB 3.23Å; L549-V552 PolarHBondContact O-N 2.83Å; Y550-V552 VanDerWaalsContact C-N 3.29Å; Y550-V552 PolarHBondContact O-N 3.13Å; V552-Y554 PolarHBondContact O-N 3.09Å; V552-Y555 WeakPolarHBondContact O-CB 3.34Å; V552-Y555 PolarHBondContact O-N 2.93Å; V552-M556 WeakPolarHBondContact O-CG 3.45Å; V552-M556 PolarHBondContact O-N 3.5Å; V552-F571 HydrophobicContact CG2-CE1 4.09Å
553	Y	95.2	Very high	92.5	Very high	136 Å²	136	54.1 Å²	54.1	53%	0.533	27%	0.273	S	S	.	.	H	α-helix	trans	-60.1	-44.8	176.1	170.7	-96.2	0	0	0	112.5	L549 Y550 Y555 M556 T557	L549-Y553 PolarHBondContact O-N 3.47Å; Y550-Y553 HydrophobicContact CD2-CD1 4.02Å; Y550-Y553 AromaticContact CE2-CD1 3.85Å; Y550-Y553 HydrophobicContact CE2-CD1 3.85Å; Y550-Y553 HydrophobicContact CE2-CE1 4.28Å; Y550-Y553 WeakPolarHBondContact O-CB 3.29Å; Y550-Y553 PolarHBondContact O-N 2.84Å; Y553-Y555 VanDerWaalsContact C-N 3.32Å; Y553-Y555 PolarHBondContact O-N 3.22Å; Y553-M556 PolarHBondContact O-N 3.19Å; Y553-T557 HydrophobicContact CD2-CG2 4Å; Y553-T557 HydrophobicContact CE1-CG2 4.4Å; Y553-T557 HydrophobicContact CE2-CG2 3.57Å; Y553-T557 WeakPolarHBondContact O-CG2 3.33Å; Y553-T557 PolarHBondContact O-N 3.21Å; Y553-T557 PolarHBondContact O-OG1 3.16Å
554	Y	93.8	Very high	92.3	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-40.6	179.2	-170	-87.3	0	0	0	111	F484 F487 S488 Q492 Y550 S551 V552 T557 K558 L559	F484-Y554 HydrophobicContact CD2-CD2 4.3Å; F484-Y554 AromaticContact CD2-CE2 3.82Å; F484-Y554 HydrophobicContact CD2-CE2 3.82Å; F484-Y554 AromaticContact CE2-CE2 3.89Å; F484-Y554 HydrophobicContact CE2-CE2 3.89Å; F487-Y554 HydrophobicContact CB-CD1 4.43Å; F487-Y554 HydrophobicContact CB-CD2 4.25Å; F487-Y554 HydrophobicContact CB-CE1 4.2Å; F487-Y554 HydrophobicContact CB-CE2 4.01Å; F487-Y554 HydrophobicContact CB-CG 4.45Å; F487-Y554 HydrophobicContact CD1-CD1 4.01Å; F487-Y554 HydrophobicContact CD1-CG 4.02Å; S488-Y554 VanDerWaalsContact CA-OH 3.29Å; S488-Y554 WeakPolarHBondContact CA-OH 3.2Å; S488-Y554 PolarHBondContact N-OH 2.87Å; S488-Y554 PolarHBondContact OG-OH 3.36Å; Q492-Y554 PolarHBondContact NE2-OH 2.67Å; Y550-Y554 HydrophobicContact CE1-CD2 4.25Å; Y550-Y554 WeakPolarHBondContact O-CB 2.9Å; Y550-Y554 PolarHBondContact O-N 3.15Å; S551-Y554 PolarHBondContact O-N 3.09Å; V552-Y554 PolarHBondContact O-N 3.09Å; Y554-T557 PolarHBondContact O-N 3Å; Y554-K558 HydrophobicContact CD1-CB 4.34Å; Y554-K558 HydrophobicContact CD2-CB 4.33Å; Y554-K558 HydrophobicContact CD2-CG 4.16Å; Y554-K558 HydrophobicContact CE1-CB 4.13Å; Y554-K558 HydrophobicContact CE2-CB 4.12Å; Y554-K558 HydrophobicContact CE2-CG 4.04Å; Y554-K558 HydrophobicContact CG-CB 4.43Å; Y554-K558 WeakPolarHBondContact O-CB 3.21Å; Y554-K558 PolarHBondContact O-N 2.75Å; Y554-L559 HydrophobicContact CD1-CD1 3.57Å; Y554-L559 HydrophobicContact CD1-CD2 4.41Å; Y554-L559 HydrophobicContact CD1-CG 3.76Å; Y554-L559 HydrophobicContact CE1-CD1 3.78Å; Y554-L559 HydrophobicContact CE1-CD2 3.82Å; Y554-L559 HydrophobicContact CE1-CG 3.69Å; Y554-L559 PolarHBondContact O-N 2.79Å
555	Y	93.3	Very high	92	Very high	36 Å²	36	62.3 Å²	62.3	14%	0.141	31%	0.31	C	S	.	.	H	α-helix	trans	-56.6	-50.5	171.7	171.8	-96.2	0	0	0	112.2	S551 V552 Y553 T557 L559 M561 K567 Y570 F571	S551-Y555 WeakPolarHBondContact O-CB 2.95Å; S551-Y555 PolarHBondContact O-N 2.92Å; V552-Y555 WeakPolarHBondContact O-CB 3.34Å; V552-Y555 PolarHBondContact O-N 2.93Å; Y553-Y555 VanDerWaalsContact C-N 3.32Å; Y553-Y555 PolarHBondContact O-N 3.22Å; Y555-T557 VanDerWaalsContact C-N 3.34Å; Y555-T557 PolarHBondContact O-N 2.73Å; Y555-L559 HydrophobicContact CD2-CB 4.49Å; Y555-L559 PolarHBondContact O-N 2.82Å; Y555-M561 HydrophobicContact CD2-CG 4.25Å; Y555-M561 HydrophobicContact CE2-CB 3.96Å; Y555-M561 HydrophobicContact CE2-CG 3.95Å; Y555-K567 HydrophobicContact CE2-CG 4.15Å; Y555-K567 WeakPolarHBondContact OH-CD 2.99Å; Y555-K567 VanDerWaalsContact OH-CE 3.27Å; Y555-K567 WeakPolarHBondContact OH-CE 3Å; Y555-Y570 HydrophobicContact CD2-CD1 4.04Å; Y555-Y570 HydrophobicContact CD2-CE1 4.12Å; Y555-Y570 HydrophobicContact CG-CD1 4.5Å; Y555-Y570 HydrophobicContact CG-CE1 4.2Å; Y555-F571 HydrophobicContact CD1-CE2 4.29Å; Y555-F571 AromaticContact CD1-CZ 3.7Å; Y555-F571 HydrophobicContact CD1-CZ 3.7Å; Y555-F571 HydrophobicContact CD2-CE2 4.36Å; Y555-F571 HydrophobicContact CD2-CZ 4.24Å; Y555-F571 HydrophobicContact CE1-CE2 4.24Å; Y555-F571 HydrophobicContact CE1-CZ 4.05Å; Y555-F571 HydrophobicContact CE2-CE2 4.3Å; Y555-F571 HydrophobicContact CG-CE2 4.36Å; Y555-F571 AromaticContact CG-CZ 3.82Å; Y555-F571 HydrophobicContact CG-CZ 3.82Å
556	M	93.4	Very high	91.6	Very high	140 Å²	140	59.3 Å²	59.3	69%	0.69	30%	0.296	S	S	*	.	H	α-helix	trans	-69.2	-29.4	-176	-65.2	-60.9	-70.1	0	0	113.9	V552 Y553	V552-M556 WeakPolarHBondContact O-CG 3.45Å; V552-M556 PolarHBondContact O-N 3.5Å; Y553-M556 PolarHBondContact O-N 3.19Å
557	T	92.2	Very high	91.5	Very high	69 Å²	69	61 Å²	61	42%	0.423	30%	0.303	S	S	.	.	H	α-helix	trans	-105.1	-30.7	-170.1	56.4	0	0	0	0	114.7	Y553 Y554 Y555	Y553-T557 HydrophobicContact CD2-CG2 4Å; Y553-T557 HydrophobicContact CE1-CG2 4.4Å; Y553-T557 HydrophobicContact CE2-CG2 3.57Å; Y553-T557 WeakPolarHBondContact O-CG2 3.33Å; Y553-T557 PolarHBondContact O-N 3.21Å; Y553-T557 PolarHBondContact O-OG1 3.16Å; Y554-T557 PolarHBondContact O-N 3Å; Y555-T557 VanDerWaalsContact C-N 3.34Å; Y555-T557 PolarHBondContact O-N 2.73Å
558	K	87.7	Confident	91.3	Very high	115 Å²	115	63.4 Å²	63.4	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-117.8	-20.1	-172.2	-63.3	-60.9	-175.1	-179.1	0	113.7	Y554	Y554-K558 HydrophobicContact CD1-CB 4.34Å; Y554-K558 HydrophobicContact CD2-CB 4.33Å; Y554-K558 HydrophobicContact CD2-CG 4.16Å; Y554-K558 HydrophobicContact CE1-CB 4.13Å; Y554-K558 HydrophobicContact CE2-CB 4.12Å; Y554-K558 HydrophobicContact CE2-CG 4.04Å; Y554-K558 HydrophobicContact CG-CB 4.43Å; Y554-K558 WeakPolarHBondContact O-CB 3.21Å; Y554-K558 PolarHBondContact O-N 2.75Å
559	L	87.7	Confident	91.1	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.052	30%	0.304	C	S	.	.			trans	-110.4	117.8	-173.6	-64	175.2	0	0	0	111.2	W491 Y554 Y555 M561 Y570	W491-L559 HydrophobicContact CB-CD2 4.13Å; Y554-L559 HydrophobicContact CD1-CD1 3.57Å; Y554-L559 HydrophobicContact CD1-CD2 4.41Å; Y554-L559 HydrophobicContact CD1-CG 3.76Å; Y554-L559 HydrophobicContact CE1-CD1 3.78Å; Y554-L559 HydrophobicContact CE1-CD2 3.82Å; Y554-L559 HydrophobicContact CE1-CG 3.69Å; Y554-L559 PolarHBondContact O-N 2.79Å; Y555-L559 HydrophobicContact CD2-CB 4.49Å; Y555-L559 PolarHBondContact O-N 2.82Å; L559-M561 HydrophobicContact CB-CE 3.88Å; L559-M561 HydrophobicContact CB-CG 4.07Å; L559-M561 HydrophobicContact CD1-CE 3.67Å; L559-M561 HydrophobicContact CD2-CE 3.62Å; L559-M561 HydrophobicContact CG-CE 3.89Å; L559-M561 PolarHBondContact O-N 3.4Å; L559-Y570 HydrophobicContact CD1-CD2 4Å; L559-Y570 HydrophobicContact CD1-CE2 3.34Å
560	Q	85	Confident	91	Very high	153 Å²	153	56 Å²	56	72%	0.715	28%	0.28	S	S	*	.			trans	-95.6	64.7	174.1	-66.6	-174.8	-11	0	0	110.3	V562	Q560-V562 PolarHBondContact O-N 3.43Å
561	M	84.1	Confident	91	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.059	29%	0.29	C	S	.	.			trans	-74.7	124	-173.3	-61.3	-58.5	-175.1	0	0	113.3	V47 K48 Q50 Y555 L559 K567	V47-M561 VanDerWaalsContact O-SD 3.4Å; K48-M561 CarbonylContact O-C 3.59Å; K48-M561 WeakPolarHBondContact O-CA 3.27Å; Q50-M561 HydrophobicContact CB-CE 4.42Å; Q50-M561 HydrophobicContact CG-CE 3.08Å; Q50-M561 HydrophobicContact CG-SD 3.42Å; Q50-M561 WeakPolarHBondContact CG-SD 3.35Å; Y555-M561 HydrophobicContact CD2-CG 4.25Å; Y555-M561 HydrophobicContact CE2-CB 3.96Å; Y555-M561 HydrophobicContact CE2-CG 3.95Å; L559-M561 HydrophobicContact CB-CE 3.88Å; L559-M561 HydrophobicContact CB-CG 4.07Å; L559-M561 HydrophobicContact CD1-CE 3.67Å; L559-M561 HydrophobicContact CD2-CE 3.62Å; L559-M561 HydrophobicContact CG-CE 3.89Å; L559-M561 PolarHBondContact O-N 3.4Å; M561-K567 HydrophobicContact CB-CG 4.23Å; M561-K567 WeakPolarHBondContact O-CE 3.33Å
562	V	85.8	Confident	91	Very high	76 Å²	76	60 Å²	60	46%	0.461	30%	0.302	S	S	.	.			trans	-103	137.5	174	-175.3	0	0	0	0	109.5	K48 Q560	K48-V562 HydrophobicContact CB-CG2 4.23Å; K48-V562 HydrophobicContact CD-CG2 4.39Å; K48-V562 PolarHBondContact O-N 3.15Å; Q560-V562 PolarHBondContact O-N 3.43Å
563	G	86.1	Confident	91	Very high	40 Å²	40	61 Å²	61	41%	0.412	30%	0.301	S	S	.	.	S	Bend	trans	95.2	144.6	-180	0	0	0	0	0	114.2	K567	G563-K567 WeakPolarHBondContact O-CG 3.43Å
564	F	89.9	Confident	91	Very high	156 Å²	156	54.6 Å²	54.6	68%	0.684	28%	0.275	S	S	*	.	H	α-helix	trans	-73.4	-43.9	-178	-179.3	-112.2	0	0	0	112.3	A566 K567 I568	F564-A566 VanDerWaalsContact C-N 3.34Å; F564-A566 PolarHBondContact O-N 2.69Å; F564-K567 WeakPolarHBondContact O-CB 3.35Å; F564-K567 PolarHBondContact O-N 3.02Å; F564-I568 HydrophobicContact CD1-CD1 3.81Å; F564-I568 HydrophobicContact CE1-CD1 3.25Å; F564-I568 HydrophobicContact CE1-CG1 4.31Å; F564-I568 HydrophobicContact CE2-CD1 4.13Å; F564-I568 HydrophobicContact CE2-CG1 4.47Å; F564-I568 HydrophobicContact CG-CD1 4.48Å; F564-I568 HydrophobicContact CZ-CD1 3.44Å; F564-I568 VanDerWaalsContact CZ-CD1 3.44Å; F564-I568 HydrophobicContact CZ-CG1 4.23Å; F564-I568 PolarHBondContact O-N 2.85Å; F564-I568 VanDerWaalsContact O-N 3.08Å
565	T	89.9	Confident	91.1	Very high	22 Å²	22	59.3 Å²	59.3	14%	0.135	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-42.9	-179.8	-46.4	0	0	0	0	112	L399 Q403 K567 I568 L569	L399-T565 HydrophobicContact CB-CG2 4.26Å; Q403-T565 HydrophobicContact CG-CG2 3.78Å; Q403-T565 PolarHBondContact NE2-OG1 3.29Å; T565-K567 VanDerWaalsContact C-N 3.33Å; T565-K567 PolarHBondContact O-N 3.47Å; T565-I568 PolarHBondContact O-N 3.03Å; T565-L569 HydrophobicContact CG2-CD1 4.27Å; T565-L569 HydrophobicContact CG2-CG 4.5Å; T565-L569 WeakPolarHBondContact O-CG 3.08Å; T565-L569 PolarHBondContact O-N 2.98Å
566	A	89.6	Confident	91.3	Very high	5 Å²	5	58.7 Å²	58.7	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-57	-44.6	175.7	0	0	0	0	0	112.5	T49 F564 L569 Y570	T49-A566 WeakPolarHBondContact O-CB 3.23Å; F564-A566 VanDerWaalsContact C-N 3.34Å; F564-A566 PolarHBondContact O-N 2.69Å; A566-L569 PolarHBondContact O-N 3.21Å; A566-Y570 WeakPolarHBondContact O-CB 3.16Å; A566-Y570 PolarHBondContact O-N 3.41Å
567	K	92.6	Very high	91.4	Very high	74 Å²	74	54.8 Å²	54.8	32%	0.322	28%	0.276	S	S	.	.	H	α-helix	trans	-64.1	-44.4	178.2	-66.5	171.5	-175.6	-177.8	0	111.5	Y555 M561 G563 F564 T565 Y570 F571	Y555-K567 HydrophobicContact CE2-CG 4.15Å; Y555-K567 WeakPolarHBondContact OH-CD 2.99Å; Y555-K567 VanDerWaalsContact OH-CE 3.27Å; Y555-K567 WeakPolarHBondContact OH-CE 3Å; M561-K567 HydrophobicContact CB-CG 4.23Å; M561-K567 WeakPolarHBondContact O-CE 3.33Å; G563-K567 WeakPolarHBondContact O-CG 3.43Å; F564-K567 WeakPolarHBondContact O-CB 3.35Å; F564-K567 PolarHBondContact O-N 3.02Å; T565-K567 VanDerWaalsContact C-N 3.33Å; T565-K567 PolarHBondContact O-N 3.47Å; K567-Y570 PolarHBondContact O-N 2.9Å; K567-F571 WeakPolarHBondContact O-CD2 3.12Å; K567-F571 PolarHBondContact O-N 3.46Å; K567-F571 VanDerWaalsContact O-N 3.08Å
568	I	93.2	Very high	91.6	Very high	54 Å²	54	51.9 Å²	51.9	28%	0.277	26%	0.259	S	S	.	.	H	α-helix	trans	-61.7	-47.4	176.5	-70.7	177.3	0	0	0	110.9	L399 F564 T565 Y570 F571 S572	L399-I568 HydrophobicContact CD1-CG2 3.89Å; F564-I568 HydrophobicContact CD1-CD1 3.81Å; F564-I568 HydrophobicContact CE1-CD1 3.25Å; F564-I568 HydrophobicContact CE1-CG1 4.31Å; F564-I568 HydrophobicContact CE2-CD1 4.13Å; F564-I568 HydrophobicContact CE2-CG1 4.47Å; F564-I568 HydrophobicContact CG-CD1 4.48Å; F564-I568 HydrophobicContact CZ-CD1 3.44Å; F564-I568 VanDerWaalsContact CZ-CD1 3.44Å; F564-I568 HydrophobicContact CZ-CG1 4.23Å; F564-I568 PolarHBondContact O-N 2.85Å; F564-I568 VanDerWaalsContact O-N 3.08Å; T565-I568 PolarHBondContact O-N 3.03Å; I568-Y570 VanDerWaalsContact C-N 3.33Å; I568-Y570 PolarHBondContact O-N 3.49Å; I568-F571 PolarHBondContact O-N 3.04Å; I568-S572 VanDerWaalsContact O-CB 3.24Å; I568-S572 WeakPolarHBondContact O-CB 3.37Å; I568-S572 PolarHBondContact O-N 3.44Å; I568-S572 PolarHBondContact O-OG 2.94Å
569	L	92.2	Very high	92.1	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-46.4	179.2	-72.7	174.3	0	0	0	110.8	L51 L396 T565 A566 S572 Y573	L51-L569 HydrophobicContact CD2-CD1 3.5Å; L396-L569 HydrophobicContact CB-CD2 3.99Å; L396-L569 HydrophobicContact CD2-CD2 4.04Å; T565-L569 HydrophobicContact CG2-CD1 4.27Å; T565-L569 HydrophobicContact CG2-CG 4.5Å; T565-L569 WeakPolarHBondContact O-CG 3.08Å; T565-L569 PolarHBondContact O-N 2.98Å; A566-L569 PolarHBondContact O-N 3.21Å; L569-S572 PolarHBondContact O-N 2.95Å; L569-Y573 HydrophobicContact CB-CD2 4.22Å; L569-Y573 HydrophobicContact CB-CE2 3.97Å; L569-Y573 HydrophobicContact CD2-CE2 4Å; L569-Y573 HydrophobicContact CG-CE2 4.49Å; L569-Y573 WeakPolarHBondContact O-CB 3.44Å; L569-Y573 WeakPolarHBondContact O-CD2 3.3Å; L569-Y573 PolarHBondContact O-N 1.99Å
570	Y	93.7	Very high	92.5	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-53.8	-59.1	176	175.3	-94.1	0	0	0	112	W491 S551 Y555 L559 A566 K567 I568 S572 Y573 T574	W491-Y570 AromaticContact CD1-CE2 3.82Å; W491-Y570 AromaticContact CD2-CD2 3.75Å; W491-Y570 HydrophobicContact CD2-CD2 3.75Å; W491-Y570 AromaticContact CD2-CE2 3.81Å; W491-Y570 HydrophobicContact CD2-CE2 3.81Å; W491-Y570 AromaticContact CE2-CD2 3.55Å; W491-Y570 AromaticContact CE2-CE2 3.46Å; W491-Y570 VanDerWaalsContact CE2-CE2 3.46Å; W491-Y570 HydrophobicContact CE3-CD2 4.01Å; W491-Y570 HydrophobicContact CG-CD2 4.37Å; W491-Y570 HydrophobicContact CG-CE2 4.02Å; W491-Y570 AromaticContact CH2-CD2 3.92Å; W491-Y570 HydrophobicContact CH2-CD2 3.92Å; W491-Y570 AromaticContact CZ2-CD2 3.65Å; W491-Y570 HydrophobicContact CZ2-CD2 3.65Å; W491-Y570 AromaticContact CZ2-CE2 3.92Å; W491-Y570 HydrophobicContact CZ2-CE2 3.92Å; W491-Y570 HydrophobicContact CZ3-CD2 4.09Å; W491-Y570 AromaticContact NE1-CE2 3.44Å; S551-Y570 PolarHBondContact O-OH 3.21Å; Y555-Y570 HydrophobicContact CD2-CD1 4.04Å; Y555-Y570 HydrophobicContact CD2-CE1 4.12Å; Y555-Y570 HydrophobicContact CG-CD1 4.5Å; Y555-Y570 HydrophobicContact CG-CE1 4.2Å; L559-Y570 HydrophobicContact CD1-CD2 4Å; L559-Y570 HydrophobicContact CD1-CE2 3.34Å; A566-Y570 WeakPolarHBondContact O-CB 3.16Å; A566-Y570 PolarHBondContact O-N 3.41Å; K567-Y570 PolarHBondContact O-N 2.9Å; I568-Y570 VanDerWaalsContact C-N 3.33Å; I568-Y570 PolarHBondContact O-N 3.49Å; Y570-S572 VanDerWaalsContact C-N 3.28Å; Y570-S572 PolarHBondContact O-N 3.29Å; Y570-Y573 PolarHBondContact O-N 3.46Å; Y570-T574 HydrophobicContact CD2-CG2 4.34Å; Y570-T574 HydrophobicContact CE1-CG2 4.09Å; Y570-T574 HydrophobicContact CE2-CG2 3.94Å; Y570-T574 WeakPolarHBondContact O-CG2 3.03Å; Y570-T574 PolarHBondContact O-N 3.12Å; Y570-T574 PolarHBondContact O-OG1 2.96Å
571	F	95.5	Very high	93	Very high	63 Å²	63	44.2 Å²	44.2	28%	0.276	23%	0.227	S	C	.	.	H	α-helix	trans	-64.8	-33	-176.6	-77.1	-64.6	0	0	0	112.8	V552 Y555 K567 I568 T574 F575	V552-F571 HydrophobicContact CG2-CE1 4.09Å; Y555-F571 HydrophobicContact CD1-CE2 4.29Å; Y555-F571 AromaticContact CD1-CZ 3.7Å; Y555-F571 HydrophobicContact CD1-CZ 3.7Å; Y555-F571 HydrophobicContact CD2-CE2 4.36Å; Y555-F571 HydrophobicContact CD2-CZ 4.24Å; Y555-F571 HydrophobicContact CE1-CE2 4.24Å; Y555-F571 HydrophobicContact CE1-CZ 4.05Å; Y555-F571 HydrophobicContact CE2-CE2 4.3Å; Y555-F571 HydrophobicContact CG-CE2 4.36Å; Y555-F571 AromaticContact CG-CZ 3.82Å; Y555-F571 HydrophobicContact CG-CZ 3.82Å; K567-F571 WeakPolarHBondContact O-CD2 3.12Å; K567-F571 PolarHBondContact O-N 3.46Å; K567-F571 VanDerWaalsContact O-N 3.08Å; I568-F571 PolarHBondContact O-N 3.04Å; F571-T574 WeakPolarHBondContact CA-OG1 3.07Å; F571-T574 PolarHBondContact O-OG1 3.05Å; F571-F575 WeakPolarHBondContact O-CB 3.07Å; F571-F575 PolarHBondContact O-N 3.01Å
572	S	95.2	Very high	93.7	Very high	34 Å²	34	45.8 Å²	45.8	24%	0.238	23%	0.233	C	C	.	.	H	α-helix	trans	-69.7	-46.6	177.5	-56.1	0	0	0	0	111.2	L396 I568 L569 Y570 F575 L576	L396-S572 WeakPolarHBondContact CD2-OG 3.4Å; I568-S572 VanDerWaalsContact O-CB 3.24Å; I568-S572 WeakPolarHBondContact O-CB 3.37Å; I568-S572 PolarHBondContact O-N 3.44Å; I568-S572 PolarHBondContact O-OG 2.94Å; L569-S572 PolarHBondContact O-N 2.95Å; Y570-S572 VanDerWaalsContact C-N 3.28Å; Y570-S572 PolarHBondContact O-N 3.29Å; S572-F575 PolarHBondContact O-N 2.65Å; S572-L576 WeakPolarHBondContact O-CG 3.23Å; S572-L576 PolarHBondContact O-N 3.44Å
573	Y	94.6	Very high	94.2	Very high	76 Å²	76	42.3 Å²	42.3	30%	0.298	21%	0.211	S	C	.	.	H	α-helix	trans	-64.6	-42.7	177	-70.2	-49.1	0	0	0	112	L396 W491 L569 Y570 F575 L576 I577	L396-Y573 HydrophobicContact CD1-CD1 3.84Å; L396-Y573 HydrophobicContact CD1-CE1 3.58Å; W491-Y573 HydrophobicContact CH2-CD2 4.07Å; W491-Y573 HydrophobicContact CH2-CG 4.48Å; L569-Y573 HydrophobicContact CB-CD2 4.22Å; L569-Y573 HydrophobicContact CB-CE2 3.97Å; L569-Y573 HydrophobicContact CD2-CE2 4Å; L569-Y573 HydrophobicContact CG-CE2 4.49Å; L569-Y573 WeakPolarHBondContact O-CB 3.44Å; L569-Y573 WeakPolarHBondContact O-CD2 3.3Å; L569-Y573 PolarHBondContact O-N 1.99Å; Y570-Y573 PolarHBondContact O-N 3.46Å; Y573-F575 VanDerWaalsContact C-N 3.31Å; Y573-F575 PolarHBondContact O-N 3.4Å; Y573-L576 PolarHBondContact O-N 3.3Å; Y573-I577 VanDerWaalsContact O-CG1 3.28Å; Y573-I577 WeakPolarHBondContact O-CG1 3.34Å; Y573-I577 PolarHBondContact O-N 3.11Å
574	T	95.4	Very high	94.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.2	-32.3	177.4	59.2	0	0	0	0	112.5	F487 W491 Y570 F571 S578	F487-T574 HydrophobicContact CE1-CG2 4.15Å; F487-T574 HydrophobicContact CZ-CG2 4.38Å; W491-T574 HydrophobicContact CZ2-CG2 3.82Å; Y570-T574 HydrophobicContact CD2-CG2 4.34Å; Y570-T574 HydrophobicContact CE1-CG2 4.09Å; Y570-T574 HydrophobicContact CE2-CG2 3.94Å; Y570-T574 WeakPolarHBondContact O-CG2 3.03Å; Y570-T574 PolarHBondContact O-N 3.12Å; Y570-T574 PolarHBondContact O-OG1 2.96Å; F571-T574 WeakPolarHBondContact CA-OG1 3.07Å; F571-T574 PolarHBondContact O-OG1 3.05Å; T574-S578 WeakPolarHBondContact O-CB 3.47Å; T574-S578 PolarHBondContact O-N 3.36Å; T574-S578 PolarHBondContact O-OG 2.63Å
575	F	96.8	Very high	95.1	Very high	101 Å²	101	33.3 Å²	33.3	44%	0.443	16%	0.161	S	C	.	.	H	α-helix	trans	-64.2	-45.9	170.9	178	-102.2	0	0	0	111.9	F388 F548 F571 S572 Y573 I577 S578 L579	F388-F575 HydrophobicContact CZ-CE1 4.48Å; F548-F575 HydrophobicContact CE2-CB 4.06Å; F548-F575 HydrophobicContact CE2-CD2 4.3Å; F571-F575 WeakPolarHBondContact O-CB 3.07Å; F571-F575 PolarHBondContact O-N 3.01Å; S572-F575 PolarHBondContact O-N 2.65Å; Y573-F575 VanDerWaalsContact C-N 3.31Å; Y573-F575 PolarHBondContact O-N 3.4Å; F575-I577 VanDerWaalsContact C-N 3.34Å; F575-I577 PolarHBondContact O-N 3.35Å; F575-S578 PolarHBondContact O-N 2.95Å; F575-S578 VanDerWaalsContact O-N 3.17Å; F575-L579 WeakPolarHBondContact O-CB 3.36Å; F575-L579 PolarHBondContact O-N 2.79Å
576	L	96.6	Very high	95.5	Very high	23 Å²	23	32.2 Å²	32.2	12%	0.12	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-39.9	176.4	-66.2	178.4	0	0	0	112.2	F388 L389 A392 L396 S572 Y573 S578 L579 T580	F388-L576 HydrophobicContact CD1-CD2 4.43Å; F388-L576 HydrophobicContact CE1-CD2 3.51Å; F388-L576 HydrophobicContact CZ-CD2 4.06Å; L389-L576 HydrophobicContact CD2-CD2 4.03Å; A392-L576 HydrophobicContact CB-CD1 4.17Å; A392-L576 HydrophobicContact CB-CD2 4.04Å; L396-L576 HydrophobicContact CD1-CD1 4.13Å; S572-L576 WeakPolarHBondContact O-CG 3.23Å; S572-L576 PolarHBondContact O-N 3.44Å; Y573-L576 PolarHBondContact O-N 3.3Å; L576-S578 VanDerWaalsContact C-N 3.35Å; L576-L579 PolarHBondContact O-N 2.73Å; L576-T580 WeakPolarHBondContact O-CG2 3.03Å; L576-T580 PolarHBondContact O-N 3.2Å; L576-T580 PolarHBondContact O-OG1 3.42Å
577	I	95.5	Very high	95.9	Very high	57 Å²	57	32.3 Å²	32.3	29%	0.292	15%	0.154	S	C	.	.	H	α-helix	trans	-60.9	-45.4	172.9	-69.1	167.5	0	0	0	110.4	M490 Y573 F575 L579 T580 F581	M490-I577 HydrophobicContact CE-CD1 3.42Å; M490-I577 VanDerWaalsContact CE-CD1 3.42Å; M490-I577 HydrophobicContact SD-CD1 3.81Å; Y573-I577 VanDerWaalsContact O-CG1 3.28Å; Y573-I577 WeakPolarHBondContact O-CG1 3.34Å; Y573-I577 PolarHBondContact O-N 3.11Å; F575-I577 VanDerWaalsContact C-N 3.34Å; F575-I577 PolarHBondContact O-N 3.35Å; I577-L579 PolarHBondContact O-N 3.14Å; I577-T580 PolarHBondContact O-N 2.72Å; I577-T580 PolarHBondContact O-OG1 3.28Å; I577-F581 VanDerWaalsContact O-CB 3.24Å; I577-F581 WeakPolarHBondContact O-CB 2.81Å; I577-F581 PolarHBondContact O-N 3.25Å
578	S	96.8	Very high	96.1	Very high	8 Å²	8	29.6 Å²	29.6	6%	0.056	14%	0.144	C	C	.	.	H	α-helix	trans	-66.1	-39.3	179.6	-56.3	0	0	0	0	111.7	A544 T574 F575 L576 F581 W582	A544-S578 WeakPolarHBondContact CB-O 3.35Å; T574-S578 WeakPolarHBondContact O-CB 3.47Å; T574-S578 PolarHBondContact O-N 3.36Å; T574-S578 PolarHBondContact O-OG 2.63Å; F575-S578 PolarHBondContact O-N 2.95Å; F575-S578 VanDerWaalsContact O-N 3.17Å; L576-S578 VanDerWaalsContact C-N 3.35Å; S578-F581 PolarHBondContact O-N 2.94Å; S578-W582 WeakPolarHBondContact O-CB 2.98Å; S578-W582 PolarHBondContact O-N 3.03Å
579	L	97	Very high	96.3	Very high	42 Å²	42	27 Å²	27	22%	0.22	13%	0.131	C	C	.	.	H	α-helix	trans	-66	-44.5	177.1	-177.3	70.4	0	0	0	112.3	F388 F575 L576 I577 F581 W582 L583	F388-L579 HydrophobicContact CD1-CD2 3.82Å; F388-L579 HydrophobicContact CE1-CD2 3.26Å; F388-L579 HydrophobicContact CZ-CD2 3.99Å; F575-L579 WeakPolarHBondContact O-CB 3.36Å; F575-L579 PolarHBondContact O-N 2.79Å; L576-L579 PolarHBondContact O-N 2.73Å; I577-L579 PolarHBondContact O-N 3.14Å; L579-F581 VanDerWaalsContact C-N 3.33Å; L579-W582 HydrophobicContact CD1-CE3 3.99Å; L579-W582 HydrophobicContact CD1-CZ3 4.38Å; L579-W582 WeakPolarHBondContact O-CB 3.28Å; L579-W582 PolarHBondContact O-N 2.73Å; L579-L583 WeakPolarHBondContact O-CG 3.25Å; L579-L583 PolarHBondContact O-N 3.45Å; L579-L583 VanDerWaalsContact O-N 3.09Å
580	T	96.5	Very high	96.6	Very high	34 Å²	34	26.6 Å²	26.6	21%	0.209	13%	0.129	C	C	.	.	H	α-helix	trans	-66.5	-38.1	177.3	50.1	0	0	0	0	111.3	L385 L389 L576 I577 L583 L584	L385-T580 HydrophobicContact CD1-CG2 4.45Å; L389-T580 HydrophobicContact CD1-CG2 4.3Å; L389-T580 HydrophobicContact CD2-CG2 4.22Å; L576-T580 WeakPolarHBondContact O-CG2 3.03Å; L576-T580 PolarHBondContact O-N 3.2Å; L576-T580 PolarHBondContact O-OG1 3.42Å; I577-T580 PolarHBondContact O-N 2.72Å; I577-T580 PolarHBondContact O-OG1 3.28Å; T580-L583 PolarHBondContact O-N 3.22Å; T580-L584 PolarHBondContact O-N 2.97Å; T580-L584 VanDerWaalsContact O-N 3.1Å
581	F	96.7	Very high	96.8	Very high	41 Å²	41	29 Å²	29	18%	0.18	14%	0.138	C	C	.	.	H	α-helix	trans	-63.2	-41	172.4	-173	-102	0	0	0	112.6	L509 Q543 A544 V547 I577 S578 L579 L583 L584 A585	L509-F581 HydrophobicContact CD1-CZ 3.99Å; L509-F581 HydrophobicContact CD2-CE2 3.55Å; L509-F581 HydrophobicContact CD2-CZ 3.84Å; Q543-F581 HydrophobicContact CB-CE1 4.31Å; Q543-F581 VanDerWaalsContact CD-CE1 3.48Å; Q543-F581 HydrophobicContact CG-CD1 4.49Å; Q543-F581 HydrophobicContact CG-CE1 3.64Å; Q543-F581 HydrophobicContact CG-CZ 4.34Å; A544-F581 HydrophobicContact CB-CD1 3.92Å; V547-F581 HydrophobicContact CG2-CD1 3.93Å; V547-F581 HydrophobicContact CG2-CE1 3.68Å; V547-F581 HydrophobicContact CG2-CZ 4.26Å; I577-F581 VanDerWaalsContact O-CB 3.24Å; I577-F581 WeakPolarHBondContact O-CB 2.81Å; I577-F581 PolarHBondContact O-N 3.25Å; S578-F581 PolarHBondContact O-N 2.94Å; L579-F581 VanDerWaalsContact C-N 3.33Å; F581-L583 PolarHBondContact O-N 3.5Å; F581-L584 PolarHBondContact O-N 2.93Å; F581-A585 WeakPolarHBondContact O-CB 3.13Å; F581-A585 PolarHBondContact O-N 3.16Å
582	W	97.5	Very high	96.8	Very high	45 Å²	45	27 Å²	27	17%	0.17	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-44.3	174.1	174.7	77.5	0	0	0	112.1	L312 F537 F538 G541 A544 S578 L579 G586	L312-W582 HydrophobicContact CD1-CH2 4.43Å; F537-W582 HydrophobicContact CD1-CH2 4.27Å; F537-W582 AromaticContact CD1-CZ2 3.92Å; F537-W582 HydrophobicContact CD1-CZ2 3.92Å; F537-W582 AromaticContact CE1-CH2 3.49Å; F537-W582 HydrophobicContact CE1-CH2 3.49Å; F537-W582 VanDerWaalsContact CE1-CH2 3.49Å; F537-W582 AromaticContact CE1-CZ2 3.48Å; F537-W582 HydrophobicContact CE1-CZ2 3.48Å; F537-W582 VanDerWaalsContact CE1-CZ2 3.48Å; F537-W582 HydrophobicContact CE1-CZ3 4.01Å; F537-W582 HydrophobicContact CZ-CH2 4.42Å; F538-W582 AromaticContact CD1-CZ2 3.64Å; F538-W582 HydrophobicContact CD1-CZ2 3.64Å; F538-W582 HydrophobicContact CE1-CH2 4.15Å; F538-W582 AromaticContact CE1-CZ2 3.42Å; F538-W582 HydrophobicContact CE1-CZ2 3.42Å; F538-W582 VanDerWaalsContact CE1-CZ2 3.42Å; F538-W582 HydrophobicContact CG-CZ2 4.44Å; F538-W582 HydrophobicContact CZ-CH2 4.47Å; F538-W582 HydrophobicContact CZ-CZ2 4.05Å; G541-W582 VanDerWaalsContact O-CD1 3.3Å; A544-W582 HydrophobicContact CB-CB 3.54Å; A544-W582 HydrophobicContact CB-CG 4.37Å; S578-W582 WeakPolarHBondContact O-CB 2.98Å; S578-W582 PolarHBondContact O-N 3.03Å; L579-W582 HydrophobicContact CD1-CE3 3.99Å; L579-W582 HydrophobicContact CD1-CZ3 4.38Å; L579-W582 WeakPolarHBondContact O-CB 3.28Å; L579-W582 PolarHBondContact O-N 2.73Å; W582-G586 WeakPolarHBondContact O-CA 3.22Å; W582-G586 PolarHBondContact O-N 2.89Å
583	L	97.5	Very high	96.8	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-64.8	-43	177.7	-69.1	175.7	0	0	0	112.6	L312 G316 L385 F537 L579 T580 F581 T587	L312-L583 HydrophobicContact CB-CD2 4.21Å; L312-L583 HydrophobicContact CD2-CD2 3.77Å; G316-L583 WeakPolarHBondContact CA-O 3.43Å; L385-L583 HydrophobicContact CD1-CD1 3.61Å; L385-L583 HydrophobicContact CD2-CD1 3.85Å; L385-L583 HydrophobicContact CG-CD1 4.22Å; F537-L583 HydrophobicContact CZ-CD2 3.91Å; L579-L583 WeakPolarHBondContact O-CG 3.25Å; L579-L583 PolarHBondContact O-N 3.45Å; L579-L583 VanDerWaalsContact O-N 3.09Å; T580-L583 PolarHBondContact O-N 3.22Å; F581-L583 PolarHBondContact O-N 3.5Å; L583-T587 WeakPolarHBondContact O-CB 3.2Å; L583-T587 PolarHBondContact O-N 2.6Å; L583-T587 VanDerWaalsContact O-N 3.14Å; L583-T587 PolarHBondContact O-OG1 3.11Å; L583-T587 VanDerWaalsContact O-OG1 3.14Å
584	L	97.3	Very high	96.9	Very high	7 Å²	7	22 Å²	22	4%	0.037	11%	0.109	C	C	.	.	H	α-helix	trans	-60.5	-55	177	-178.9	157.8	0	0	0	110.1	V319 F320 T323 F506 T580 F581 T587 V588	V319-L584 HydrophobicContact CG1-CB 4.13Å; V319-L584 HydrophobicContact CG1-CD1 4.16Å; F320-L584 HydrophobicContact CB-CD1 4.5Å; F320-L584 HydrophobicContact CB-CG 4.14Å; F320-L584 HydrophobicContact CD2-CD2 4.14Å; F320-L584 HydrophobicContact CD2-CG 4.1Å; T323-L584 HydrophobicContact CG2-CD1 4.1Å; F506-L584 HydrophobicContact CE2-CD1 3.92Å; F506-L584 HydrophobicContact CE2-CD2 4.13Å; F506-L584 HydrophobicContact CZ-CD1 4.22Å; F506-L584 HydrophobicContact CZ-CD2 4.46Å; T580-L584 PolarHBondContact O-N 2.97Å; T580-L584 VanDerWaalsContact O-N 3.1Å; F581-L584 PolarHBondContact O-N 2.93Å; L584-T587 PolarHBondContact O-N 3.19Å; L584-V588 PolarHBondContact O-N 3.38Å
585	A	97.2	Very high	96.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.5	-36.5	-175.5	0	0	0	0	0	112.8	T513 G540 Q543 F581 T587 V588 G589	T513-A585 HydrophobicContact CG2-CB 4.22Å; G540-A585 CarbonylContact C-O 3.45Å; G540-A585 CarbonylContact O-C 3.58Å; G540-A585 WeakPolarHBondContact O-CB 3.09Å; Q543-A585 HydrophobicContact CG-CB 4.33Å; F581-A585 WeakPolarHBondContact O-CB 3.13Å; F581-A585 PolarHBondContact O-N 3.16Å; A585-T587 VanDerWaalsContact C-N 3.32Å; A585-T587 PolarHBondContact O-N 3.47Å; A585-V588 PolarHBondContact O-N 3.19Å; A585-G589 PolarHBondContact O-N 3.23Å
586	G	97.7	Very high	96.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.5	-38.7	175.3	0	0	0	0	0	112.6	F537 W582 G589 F590	F537-G586 WeakPolarHBondContact CD2-O 3.34Å; F537-G586 WeakPolarHBondContact O-CA 3.48Å; W582-G586 WeakPolarHBondContact O-CA 3.22Å; W582-G586 PolarHBondContact O-N 2.89Å; G586-G589 PolarHBondContact O-N 3.41Å; G586-F590 VanDerWaalsContact O-CB 3.29Å; G586-F590 WeakPolarHBondContact O-CB 3.18Å; G586-F590 PolarHBondContact O-N 3.12Å
587	T	98	Very high	96.5	Very high	6 Å²	6	20.9 Å²	20.9	4%	0.037	11%	0.114	C	C	.	.	H	α-helix	trans	-66.1	-40.6	174.7	-72.8	0	0	0	0	112.5	V313 G316 I317 L583 L584 A585 F590 Y591	V313-T587 WeakPolarHBondContact CA-OG1 3.46Å; V313-T587 HydrophobicContact CG1-CG2 4.27Å; V313-T587 PolarHBondContact O-OG1 3.45Å; G316-T587 WeakPolarHBondContact CA-OG1 3.2Å; I317-T587 HydrophobicContact CG1-CG2 3.64Å; L583-T587 WeakPolarHBondContact O-CB 3.2Å; L583-T587 PolarHBondContact O-N 2.6Å; L583-T587 VanDerWaalsContact O-N 3.14Å; L583-T587 PolarHBondContact O-OG1 3.11Å; L583-T587 VanDerWaalsContact O-OG1 3.14Å; L584-T587 PolarHBondContact O-N 3.19Å; A585-T587 VanDerWaalsContact C-N 3.32Å; A585-T587 PolarHBondContact O-N 3.47Å; T587-F590 PolarHBondContact O-N 3.15Å; T587-Y591 HydrophobicContact CG2-CD2 3.87Å; T587-Y591 HydrophobicContact CG2-CE2 4.02Å; T587-Y591 WeakPolarHBondContact O-CD2 3.44Å; T587-Y591 PolarHBondContact O-N 2.76Å
588	V	97.9	Very high	96.3	Very high	18 Å²	18	22 Å²	22	11%	0.109	11%	0.114	C	C	.	.	H	α-helix	trans	-61.3	-49.6	174.8	175.1	0	0	0	0	110.3	F320 V510 T513 A514 L584 A585 F590 Y591 A592	F320-V588 HydrophobicContact CD2-CG2 3.91Å; F320-V588 HydrophobicContact CE2-CG2 3.99Å; V510-V588 HydrophobicContact CG1-CG1 3.9Å; V510-V588 WeakPolarHBondContact O-CG1 3.4Å; T513-V588 VanDerWaalsContact OG1-CG1 3.27Å; T513-V588 WeakPolarHBondContact OG1-CG1 3.43Å; A514-V588 HydrophobicContact CB-CG1 4.31Å; L584-V588 PolarHBondContact O-N 3.38Å; A585-V588 PolarHBondContact O-N 3.19Å; V588-F590 VanDerWaalsContact C-N 3.33Å; V588-F590 PolarHBondContact O-N 2.89Å; V588-Y591 PolarHBondContact O-N 2.87Å; V588-A592 VanDerWaalsContact O-CB 3.31Å; V588-A592 WeakPolarHBondContact O-CB 3.46Å; V588-A592 PolarHBondContact O-N 3.23Å
589	G	96.9	Very high	96	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.9	-42.7	176.9	0	0	0	0	0	112.8	S517 A585 G586 A592 A593	S517-G589 WeakPolarHBondContact OG-CA 3.27Å; S517-G589 PolarHBondContact OG-O 3.37Å; A585-G589 PolarHBondContact O-N 3.23Å; G586-G589 PolarHBondContact O-N 3.41Å; G589-A592 PolarHBondContact O-N 3.49Å; G589-A593 VanDerWaalsContact O-CB 3.27Å; G589-A593 WeakPolarHBondContact O-CB 3.05Å; G589-A593 PolarHBondContact O-N 3.2Å
590	F	98	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.9	-52.4	176.7	176.3	-93	0	0	0	112.8	L309 V313 L365 W533 F537 G586 T587 V588 A593 Y594	L309-F590 HydrophobicContact CD2-CE2 3.89Å; L309-F590 HydrophobicContact CG-CE2 4.38Å; V313-F590 HydrophobicContact CG1-CD1 4.06Å; V313-F590 HydrophobicContact CG1-CE1 4.3Å; V313-F590 HydrophobicContact CG2-CD1 4.02Å; V313-F590 HydrophobicContact CG2-CD2 4.34Å; V313-F590 HydrophobicContact CG2-CE1 4.34Å; V313-F590 HydrophobicContact CG2-CG 4.02Å; L365-F590 HydrophobicContact CD1-CE1 4.23Å; L365-F590 HydrophobicContact CD1-CZ 4.12Å; L365-F590 HydrophobicContact CD2-CE1 3.71Å; L365-F590 HydrophobicContact CD2-CZ 3.82Å; W533-F590 AromaticContact CE3-CE2 3.67Å; W533-F590 HydrophobicContact CE3-CE2 3.67Å; W533-F590 AromaticContact CE3-CZ 3.77Å; W533-F590 HydrophobicContact CE3-CZ 3.77Å; W533-F590 HydrophobicContact CZ3-CE2 4.3Å; W533-F590 AromaticContact CZ3-CZ 3.95Å; W533-F590 HydrophobicContact CZ3-CZ 3.95Å; F537-F590 HydrophobicContact CB-CB 4.47Å; F537-F590 HydrophobicContact CD2-CB 4.24Å; G586-F590 VanDerWaalsContact O-CB 3.29Å; G586-F590 WeakPolarHBondContact O-CB 3.18Å; G586-F590 PolarHBondContact O-N 3.12Å; T587-F590 PolarHBondContact O-N 3.15Å; V588-F590 VanDerWaalsContact C-N 3.33Å; V588-F590 PolarHBondContact O-N 2.89Å; F590-A593 PolarHBondContact O-N 3.36Å; F590-Y594 VanDerWaalsContact O-CB 3.31Å; F590-Y594 WeakPolarHBondContact O-CB 3.38Å; F590-Y594 PolarHBondContact O-N 3.15Å
591	Y	97.6	Very high	95.2	Very high	51 Å²	51	26.4 Å²	26.4	20%	0.2	13%	0.129	C	C	.	.	H	α-helix	trans	-70	-35.2	-178.5	-84.9	-69.7	0	0	0	112.6	V313 I317 T587 V588 Y594 A595	V313-Y591 HydrophobicContact CG1-CD2 4.4Å; V313-Y591 HydrophobicContact CG1-CE2 3.57Å; I317-Y591 HydrophobicContact CD1-CE2 3.66Å; I317-Y591 HydrophobicContact CG1-CE2 3.96Å; T587-Y591 HydrophobicContact CG2-CD2 3.87Å; T587-Y591 HydrophobicContact CG2-CE2 4.02Å; T587-Y591 WeakPolarHBondContact O-CD2 3.44Å; T587-Y591 PolarHBondContact O-N 2.76Å; V588-Y591 PolarHBondContact O-N 2.87Å; Y591-Y594 PolarHBondContact O-N 2.75Å; Y591-A595 WeakPolarHBondContact O-CB 3.28Å; Y591-A595 PolarHBondContact O-N 2.75Å
592	A	96.1	Very high	94.7	Very high	21 Å²	21	27.8 Å²	27.8	17%	0.174	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-49.4	174	0	0	0	0	0	111.3	A514 V518 V588 G589 Y594 A595 F596	A514-A592 HydrophobicContact CB-CB 3.51Å; V518-A592 HydrophobicContact CG2-CB 4.24Å; V588-A592 VanDerWaalsContact O-CB 3.31Å; V588-A592 WeakPolarHBondContact O-CB 3.46Å; V588-A592 PolarHBondContact O-N 3.23Å; G589-A592 PolarHBondContact O-N 3.49Å; A592-Y594 PolarHBondContact O-N 3.47Å; A592-A595 PolarHBondContact O-N 3.14Å; A592-F596 WeakPolarHBondContact O-CB 3.39Å; A592-F596 PolarHBondContact O-N 3.33Å
593	A	95.6	Very high	94	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-44.4	175	0	0	0	0	0	111.7	V521 W532 A536 G589 F590 A595 F596 V597	V521-A593 HydrophobicContact CB-CB 4.36Å; V521-A593 HydrophobicContact CG1-CB 4.44Å; V521-A593 HydrophobicContact CG2-CB 3.84Å; W532-A593 HydrophobicContact CE3-CB 4.33Å; W532-A593 HydrophobicContact CZ3-CB 4.26Å; A536-A593 HydrophobicContact CB-CB 3.62Å; G589-A593 VanDerWaalsContact O-CB 3.27Å; G589-A593 WeakPolarHBondContact O-CB 3.05Å; G589-A593 PolarHBondContact O-N 3.2Å; F590-A593 PolarHBondContact O-N 3.36Å; A593-A595 VanDerWaalsContact C-N 3.35Å; A593-A595 PolarHBondContact O-N 2.7Å; A593-F596 WeakPolarHBondContact O-CB 3.46Å; A593-F596 PolarHBondContact O-N 2.69Å; A593-V597 WeakPolarHBondContact O-CB 2.94Å; A593-V597 VanDerWaalsContact O-CG2 3.26Å; A593-V597 WeakPolarHBondContact O-CG2 3.35Å; A593-V597 PolarHBondContact O-N 3.47Å
594	Y	96.2	Very high	93	Very high	6 Å²	6	30.5 Å²	30.5	2%	0.024	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-40.9	179.3	-176.8	-129.1	0	0	0	112.5	F300 Y442 N444 W532 W533 F590 Y591 A592 R598	F300-Y594 HydrophobicContact CE1-CE2 4.3Å; Y442-Y594 WeakPolarHBondContact CB-OH 3.32Å; Y442-Y594 HydrophobicContact CD1-CE1 4.28Å; Y442-Y594 HydrophobicContact CD2-CE1 4.09Å; Y442-Y594 AromaticContact CG-CE1 3.92Å; Y442-Y594 HydrophobicContact CG-CE1 3.92Å; N444-Y594 PolarHBondContact OD1-OH 3.28Å; N444-Y594 VanDerWaalsContact OD1-OH 3.11Å; W532-Y594 AromaticContact CH2-CD2 3.48Å; W532-Y594 HydrophobicContact CH2-CD2 3.48Å; W532-Y594 VanDerWaalsContact CH2-CD2 3.48Å; W532-Y594 HydrophobicContact CH2-CE2 4.42Å; W532-Y594 HydrophobicContact CH2-CG 4.11Å; W532-Y594 AromaticContact CZ2-CD2 3.98Å; W532-Y594 HydrophobicContact CZ2-CD2 3.98Å; W533-Y594 AromaticContact CH2-CD2 3.93Å; W533-Y594 HydrophobicContact CH2-CD2 3.93Å; W533-Y594 AromaticContact CH2-CE2 3.55Å; W533-Y594 HydrophobicContact CH2-CE2 3.55Å; W533-Y594 AromaticContact CZ3-CD2 3.79Å; W533-Y594 HydrophobicContact CZ3-CD2 3.79Å; W533-Y594 AromaticContact CZ3-CE2 3.81Å; W533-Y594 HydrophobicContact CZ3-CE2 3.81Å; F590-Y594 VanDerWaalsContact O-CB 3.31Å; F590-Y594 WeakPolarHBondContact O-CB 3.38Å; F590-Y594 PolarHBondContact O-N 3.15Å; Y591-Y594 PolarHBondContact O-N 2.75Å; A592-Y594 PolarHBondContact O-N 3.47Å; Y594-R598 HydrophobicContact CD2-CG 4.2Å; Y594-R598 HydrophobicContact CE2-CG 3.9Å; Y594-R598 VanDerWaalsContact CZ-CD 3.41Å; Y594-R598 WeakPolarHBondContact O-CB 3.39Å; Y594-R598 WeakPolarHBondContact O-CG 3.22Å; Y594-R598 PolarHBondContact O-N 2.62Å
595	A	94.4	Very high	91.6	Very high	59 Å²	59	39.4 Å²	39.4	49%	0.488	21%	0.212	S	C	.	.	H	α-helix	trans	-63.5	-43.7	174.7	0	0	0	0	0	111.5	Y591 A592 A593 R598 K599	Y591-A595 WeakPolarHBondContact O-CB 3.28Å; Y591-A595 PolarHBondContact O-N 2.75Å; A592-A595 PolarHBondContact O-N 3.14Å; A593-A595 VanDerWaalsContact C-N 3.35Å; A593-A595 PolarHBondContact O-N 2.7Å; A595-R598 PolarHBondContact O-N 3.25Å; A595-K599 WeakPolarHBondContact O-CB 3.25Å; A595-K599 PolarHBondContact O-N 3.08Å
596	F	92.4	Very high	89.9	Confident	41 Å²	41	42.2 Å²	42.2	18%	0.18	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-51.1	175.6	169.8	-105.4	0	0	0	112.2	V518 Y522 A592 A593 R598 K599 I600	V518-F596 HydrophobicContact CG1-CB 4.1Å; V518-F596 HydrophobicContact CG1-CD1 4Å; V518-F596 HydrophobicContact CG1-CD2 3.64Å; V518-F596 HydrophobicContact CG1-CE1 4.34Å; V518-F596 HydrophobicContact CG1-CE2 4.01Å; V518-F596 HydrophobicContact CG1-CG 3.63Å; V518-F596 HydrophobicContact CG1-CZ 4.34Å; V518-F596 HydrophobicContact CG2-CB 3.85Å; V518-F596 HydrophobicContact CG2-CG 4.29Å; Y522-F596 HydrophobicContact CD2-CE1 4.42Å; Y522-F596 AromaticContact CD2-CZ 3.96Å; Y522-F596 HydrophobicContact CD2-CZ 3.96Å; Y522-F596 HydrophobicContact CG-CZ 4.36Å; A592-F596 WeakPolarHBondContact O-CB 3.39Å; A592-F596 PolarHBondContact O-N 3.33Å; A593-F596 WeakPolarHBondContact O-CB 3.46Å; A593-F596 PolarHBondContact O-N 2.69Å; F596-R598 VanDerWaalsContact C-N 3.34Å; F596-R598 PolarHBondContact O-N 2.83Å; F596-K599 PolarHBondContact O-N 2.94Å; F596-K599 VanDerWaalsContact O-N 3.07Å; F596-I600 HydrophobicContact CE2-CD1 4.44Å; F596-I600 HydrophobicContact CZ-CD1 3.94Å; F596-I600 PolarHBondContact O-N 3.22Å
597	V	93.2	Very high	87.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-45.4	179.4	172.6	0	0	0	0	110.6	I299 F300 V521 L525 W532 A593 K599 I600 Y601	I299-V597 HydrophobicContact CD1-CG1 4.06Å; I299-V597 HydrophobicContact CG1-CG1 3.52Å; F300-V597 HydrophobicContact CE1-CG1 3.89Å; F300-V597 HydrophobicContact CZ-CG1 3.95Å; V521-V597 HydrophobicContact CG1-CG2 3.89Å; L525-V597 HydrophobicContact CD1-CG2 4.01Å; W532-V597 HydrophobicContact CD2-CG2 4.24Å; W532-V597 HydrophobicContact CE3-CG2 4.45Å; W532-V597 HydrophobicContact CZ2-CG1 4.27Å; A593-V597 WeakPolarHBondContact O-CB 2.94Å; A593-V597 VanDerWaalsContact O-CG2 3.26Å; A593-V597 WeakPolarHBondContact O-CG2 3.35Å; A593-V597 PolarHBondContact O-N 3.47Å; V597-K599 VanDerWaalsContact C-N 3.3Å; V597-K599 PolarHBondContact O-N 2.75Å; V597-I600 WeakPolarHBondContact O-CG2 3.35Å; V597-I600 PolarHBondContact O-N 2.86Å; V597-Y601 HydrophobicContact CG1-CD2 3.79Å; V597-Y601 HydrophobicContact CG1-CE2 3.98Å; V597-Y601 VanDerWaalsContact O-CD2 3.26Å; V597-Y601 WeakPolarHBondContact O-CD2 3.3Å; V597-Y601 PolarHBondContact O-N 3.49Å; V597-Y601 VanDerWaalsContact O-N 3.12Å
598	R	92.4	Very high	87.1	Confident	81 Å²	81	55.8 Å²	55.8	31%	0.306	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-38.7	175.8	-73.7	-178.9	69.6	-135.6	-1.4	112.5	F300 V443 Y594 A595 F596 S602	F300-R598 HydrophobicContact CE1-CG 3.9Å; F300-R598 HydrophobicContact CZ-CG 4.14Å; V443-R598 PolarHBondContact O-NE 3.23Å; V443-R598 PolarHBondContact O-NH2 3.01Å; Y594-R598 HydrophobicContact CD2-CG 4.2Å; Y594-R598 HydrophobicContact CE2-CG 3.9Å; Y594-R598 VanDerWaalsContact CZ-CD 3.41Å; Y594-R598 WeakPolarHBondContact O-CB 3.39Å; Y594-R598 WeakPolarHBondContact O-CG 3.22Å; Y594-R598 PolarHBondContact O-N 2.62Å; A595-R598 PolarHBondContact O-N 3.25Å; F596-R598 VanDerWaalsContact C-N 3.34Å; F596-R598 PolarHBondContact O-N 2.83Å; R598-S602 VanDerWaalsContact O-CB 3.24Å; R598-S602 WeakPolarHBondContact O-CB 3.39Å; R598-S602 PolarHBondContact O-N 2.99Å; R598-S602 PolarHBondContact O-OG 3.02Å
599	K	89.9	Confident	86.5	Confident	153 Å²	153	57.8 Å²	57.8	67%	0.665	31%	0.308	S	S	*	.	H	α-helix	trans	-68.8	-46.3	-179.4	-172.8	61.8	175.4	175.2	0	111.5	A595 F596 V597 S602 A603	A595-K599 WeakPolarHBondContact O-CB 3.25Å; A595-K599 PolarHBondContact O-N 3.08Å; F596-K599 PolarHBondContact O-N 2.94Å; F596-K599 VanDerWaalsContact O-N 3.07Å; V597-K599 VanDerWaalsContact C-N 3.3Å; V597-K599 PolarHBondContact O-N 2.75Å; K599-S602 PolarHBondContact O-N 3.4Å; K599-S602 PolarHBondContact O-OG 3Å; K599-A603 PolarHBondContact O-N 3.35Å
600	I	87.2	Confident	85.9	Confident	22 Å²	22	61 Å²	61	11%	0.113	33%	0.325	C	S	.	.	H	α-helix	trans	-66	-43.6	-177.8	-155.7	179.2	0	0	0	111.3	W292 F596 V597 S602 A603	W292-I600 HydrophobicContact CD2-CD1 3.99Å; W292-I600 HydrophobicContact CE3-CD1 3.94Å; W292-I600 HydrophobicContact CE3-CG1 4.24Å; W292-I600 HydrophobicContact CE3-CG2 4.46Å; W292-I600 HydrophobicContact CH2-CD1 3.74Å; W292-I600 HydrophobicContact CH2-CG1 3.52Å; W292-I600 HydrophobicContact CZ2-CD1 3.76Å; W292-I600 HydrophobicContact CZ2-CG1 4.01Å; W292-I600 HydrophobicContact CZ3-CB 4.44Å; W292-I600 HydrophobicContact CZ3-CD1 3.82Å; W292-I600 HydrophobicContact CZ3-CG1 3.64Å; W292-I600 HydrophobicContact CZ3-CG2 4.24Å; F596-I600 HydrophobicContact CE2-CD1 4.44Å; F596-I600 HydrophobicContact CZ-CD1 3.94Å; F596-I600 PolarHBondContact O-N 3.22Å; V597-I600 WeakPolarHBondContact O-CG2 3.35Å; V597-I600 PolarHBondContact O-N 2.86Å; I600-S602 VanDerWaalsContact C-N 3.35Å; I600-S602 PolarHBondContact O-N 2.87Å; I600-A603 WeakPolarHBondContact O-CB 3.25Å; I600-A603 PolarHBondContact O-N 2.84Å
601	Y	89.1	Confident	85.2	Confident	1 Å²	1	64.6 Å²	64.6	0%	0.004	35%	0.345	C	S	.	.	H	α-helix	trans	-76.6	-17.9	177.7	-73.8	-76.5	0	0	0	114	W292 I295 H296 I299 V446 L525 V597 A603 V604	W292-Y601 AromaticContact CE3-CE1 4Å; W292-Y601 HydrophobicContact CE3-CE1 4Å; W292-Y601 AromaticContact CE3-CZ 3.99Å; W292-Y601 HydrophobicContact CZ3-CD1 4.4Å; W292-Y601 HydrophobicContact CZ3-CE1 4.24Å; W292-Y601 WeakPolarHBondContact O-CE1 3.35Å; W292-Y601 PolarHBondContact O-OH 3.33Å; I295-Y601 WeakPolarHBondContact CG1-OH 3.42Å; H296-Y601 HydrophobicContact CB-CD1 3.92Å; H296-Y601 HydrophobicContact CB-CE1 3.76Å; I299-Y601 HydrophobicContact CB-CE2 4.08Å; I299-Y601 HydrophobicContact CD1-CE2 3.8Å; I299-Y601 HydrophobicContact CG1-CD2 4.04Å; I299-Y601 HydrophobicContact CG1-CE2 3.49Å; I299-Y601 VanDerWaalsContact CG1-CE2 3.49Å; I299-Y601 HydrophobicContact CG2-CD2 4.16Å; I299-Y601 HydrophobicContact CG2-CE1 4.48Å; I299-Y601 HydrophobicContact CG2-CE2 4.12Å; I299-Y601 HydrophobicContact CG2-CG 4.39Å; V446-Y601 HydrophobicContact CG2-CD1 4.48Å; L525-Y601 HydrophobicContact CD1-CE2 4.12Å; V597-Y601 HydrophobicContact CG1-CD2 3.79Å; V597-Y601 HydrophobicContact CG1-CE2 3.98Å; V597-Y601 VanDerWaalsContact O-CD2 3.26Å; V597-Y601 WeakPolarHBondContact O-CD2 3.3Å; V597-Y601 PolarHBondContact O-N 3.49Å; V597-Y601 VanDerWaalsContact O-N 3.12Å; Y601-A603 PolarHBondContact O-N 3.2Å; Y601-V604 HydrophobicContact CD1-CG2 4.38Å
602	S	87	Confident	84.4	Confident	70 Å²	70	65.4 Å²	65.4	49%	0.49	35%	0.354	S	S	.	.	H	α-helix	trans	-72.4	-17.3	169.1	70.2	0	0	0	0	113.4	R598 K599 I600	R598-S602 VanDerWaalsContact O-CB 3.24Å; R598-S602 WeakPolarHBondContact O-CB 3.39Å; R598-S602 PolarHBondContact O-N 2.99Å; R598-S602 PolarHBondContact O-OG 3.02Å; K599-S602 PolarHBondContact O-N 3.4Å; K599-S602 PolarHBondContact O-OG 3Å; I600-S602 VanDerWaalsContact C-N 3.35Å; I600-S602 PolarHBondContact O-N 2.87Å
603	A	82.6	Confident	83.6	Confident	81 Å²	81	68.4 Å²	68.4	67%	0.669	37%	0.366	S	S	*	.	S	Bend	trans	-90.8	-15.8	178.3	0	0	0	0	0	112.8	K599 I600 Y601 K605	K599-A603 PolarHBondContact O-N 3.35Å; I600-A603 WeakPolarHBondContact O-CB 3.25Å; I600-A603 PolarHBondContact O-N 2.84Å; Y601-A603 PolarHBondContact O-N 3.2Å; A603-K605 PolarHBondContact O-N 3.03Å
604	V	76.5	Confident	82.8	Confident	23 Å²	23	73.3 Å²	73.3	14%	0.139	39%	0.392	C	S	.	.	S	Bend	trans	-77.5	118.8	175.7	-165.6	0	0	0	0	108	W292 Y601 I606	W292-V604 HydrophobicContact CH2-CG2 3.66Å; W292-V604 HydrophobicContact CZ3-CG2 3.49Å; W292-V604 VanDerWaalsContact CZ3-CG2 3.49Å; Y601-V604 HydrophobicContact CD1-CG2 4.38Å; V604-I606 HydrophobicContact CB-CD1 4.17Å; V604-I606 HydrophobicContact CB-CG1 3.98Å; V604-I606 HydrophobicContact CG1-CD1 3.68Å; V604-I606 HydrophobicContact CG1-CG1 3.37Å; V604-I606 PolarHBondContact O-N 3.04Å
605	K	67.3	Low	81.8	Confident	195 Å²	195	78.5 Å²	78.5	85%	0.848	42%	0.42	S	S	*	.			trans	-77.2	101.3	168.4	-66.2	-178	-178.6	-179.7	0	107.1	A603	A603-K605 PolarHBondContact O-N 3.03Å
606	I	61.3	Low	80.7	Confident	58 Å²	58	80.1 Å²	80.1	30%	0.297	41%	0.414	S	S	.	.			trans	-119.7	106.6	172.4	-47.6	-176.9	0	0	0	104.1	H296 V446 V604	H296-I606 HydrophobicContact CB-CD1 3.39Å; H296-I606 WeakPolarHBondContact CD2-CD1 3.42Å; V446-I606 HydrophobicContact CG1-CD1 4.4Å; V446-I606 HydrophobicContact CG2-CD1 4.39Å; V604-I606 HydrophobicContact CB-CD1 4.17Å; V604-I606 HydrophobicContact CB-CG1 3.98Å; V604-I606 HydrophobicContact CG1-CD1 3.68Å; V604-I606 HydrophobicContact CG1-CG1 3.37Å; V604-I606 PolarHBondContact O-N 3.04Å
607	D	49.5	Very low	79.6	Confident	236 Å²	236	83.6 Å²	83.6	100%	1.262	44%	0.436	S	S	*	.			trans	-70.8	0	178.9	-70.1	-30.8	0	0	0	111.5

Retrieved 607 of 607 residues in 304.8 ms (Link to these results)

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