A0A077ZD04_TRITR Loading...

RUN and TBC1 domain-containing protein 3

AlphaFold DB , UniProt , Accession A0A077ZD04, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 798 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	30.1	Very low	27.5	Very low	249 Å²	249	150.6 Å²	150.6	100%	1.227	85%	0.848	S	S	*	*				0	101.3	0	-76.2	179.9	-179.5	0	0	107.9
2	V	30.5	Very low	27.4	Very low	156 Å²	156	155.2 Å²	155.2	95%	0.945	85%	0.851	S	S	*	*			trans	-117.1	133.4	174.4	178.5	0	0	0	0	106.7
3	G	29.8	Very low	27.1	Very low	62 Å²	62	149.5 Å²	149.5	64%	0.639	84%	0.838	S	S	*	*			trans	-82.8	160.7	-154.1	0	0	0	0	0	118.2
4	V	26.2	Very low	27.1	Very low	121 Å²	121	150.4 Å²	150.4	73%	0.733	84%	0.84	S	S	*	*				46.4	110.5	124.9	-160.4	0	0	0	0	117.8
5	H	29	Very low	27.2	Very low	179 Å²	179	147.8 Å²	147.8	83%	0.829	84%	0.836	S	S	*	*				-175	129	103.4	-105.4	-66.6	0	0	0	113.2
6	K	25.7	Very low	27	Very low	203 Å²	203	144.8 Å²	144.8	88%	0.883	84%	0.835	S	S	*	*			trans	-78.7	146.2	161	-75.8	178.8	172.9	179.3	0	109.8
7	G	25.3	Very low	27.2	Very low	81 Å²	81	143.2 Å²	143.2	84%	0.835	83%	0.831	S	S	*	*			trans	110	95.9	155.8	0	0	0	0	0	114.7
8	C	29	Very low	27.2	Very low	110 Å²	110	141.5 Å²	141.5	74%	0.743	83%	0.825	S	S	*	*			trans	-117.9	97.1	163.6	-147	0	0	0	0	108.7
9	A	26.1	Very low	27	Very low	95 Å²	95	142.8 Å²	142.8	79%	0.785	83%	0.829	S	S	*	*			trans	-76.5	124.5	162.7	0	0	0	0	0	108.2	Q11	A9-Q11 PolarHBondContact O-N 3.1Å
10	Y	28.7	Very low	27	Very low	223 Å²	223	139.2 Å²	139.2	88%	0.875	82%	0.823	S	S	*	*			trans	-91.2	98.3	167.6	-92.9	-90.9	0	0	0	109.4
11	Q	22.2	Very low	27	Very low	178 Å²	178	137.4 Å²	137.4	83%	0.832	82%	0.818	S	S	*	*			trans	-118.9	127.7	158.8	-93.1	-173.9	-18.6	0	0	108.3	A9	A9-Q11 PolarHBondContact O-N 3.1Å
12	K	25.7	Very low	26.8	Very low	205 Å²	205	135.3 Å²	135.3	89%	0.891	80%	0.803	S	S	*	*			trans	156.3	112.1	146.8	-90.9	173.4	179.8	-178.4	0	108
13	A	23.6	Very low	26.5	Very low	82 Å²	82	133.7 Å²	133.7	68%	0.678	79%	0.787	S	S	*	*				88.1	145.1	71.9	0	0	0	0	0	113
14	N	27.2	Very low	26.1	Very low	161 Å²	161	139.6 Å²	139.6	86%	0.861	80%	0.795	S	S	*	*			trans	93.8	125.2	-176.3	-54.2	-16.8	0	0	0	112.7
15	S	28.4	Very low	26	Very low	112 Å²	112	143 Å²	143	78%	0.783	80%	0.8	S	S	*	*			cis	-169.7	138	11.6	39.7	0	0	0	0	107.8
16	A	24.8	Very low	25.7	Very low	99 Å²	99	139.4 Å²	139.4	82%	0.818	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-69.1	147.9	175	0	0	0	0	0	112.6
17	P	30.4	Very low	25.5	Very low	118 Å²	118	136.9 Å²	136.9	77%	0.766	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-91.1	158.1	149.4	34.4	-26.5	0	0	0	110.9
18	P	26.8	Very low	25.5	Very low	113 Å²	113	141.1 Å²	141.1	73%	0.734	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-99	153.3	-161.9	34.2	-24.6	0	0	0	113.6
19	N	24	Very low	25.3	Very low	167 Å²	167	143.2 Å²	143.2	89%	0.893	79%	0.785	S	S	*	*			trans	43.9	80.6	148.2	-64.2	-10.7	0	0	0	117.7
20	G	26.8	Very low	25.2	Very low	69 Å²	69	146 Å²	146	71%	0.711	79%	0.787	S	S	*	*			trans	-116.9	89.9	149.8	0	0	0	0	0	108.3	F22	G20-F22 PolarHBondContact O-N 3.27Å
21	S	27.4	Very low	25.1	Very low	103 Å²	103	143.9 Å²	143.9	72%	0.72	79%	0.785	S	S	*	*			trans	-55.7	106.9	179	49.2	0	0	0	0	111.2	I23	S21-I23 VanDerWaalsContact C-N 3.35Å; S21-I23 PolarHBondContact O-N 3.13Å
22	F	24.2	Very low	25.3	Very low	205 Å²	205	141.8 Å²	141.8	90%	0.899	78%	0.779	S	S	*	*			trans	-67.1	96.3	161	-89.4	-94.9	0	0	0	108.1	G20 K24	G20-F22 PolarHBondContact O-N 3.27Å; F22-K24 PolarHBondContact O-N 3.2Å
23	I	25.2	Very low	25.2	Very low	121 Å²	121	137.2 Å²	137.2	62%	0.621	77%	0.773	S	S	*	*			trans	-68.6	111.8	168.2	-64.8	174.9	0	0	0	106.9	S21 F25	S21-I23 VanDerWaalsContact C-N 3.35Å; S21-I23 PolarHBondContact O-N 3.13Å; I23-F25 HydrophobicContact CB-CE2 4.48Å; I23-F25 HydrophobicContact CG2-CD2 3.91Å; I23-F25 HydrophobicContact CG2-CE2 3.61Å; I23-F25 HydrophobicContact CG2-CZ 4.19Å; I23-F25 PolarHBondContact O-N 3.32Å
24	K	21.6	Very low	25.4	Very low	187 Å²	187	140.2 Å²	140.2	81%	0.813	78%	0.776	S	S	*	*			trans	-60	113.2	163	-74.5	177.8	173.1	-179	0	108.3	F22	F22-K24 PolarHBondContact O-N 3.2Å
25	F	23.2	Very low	25.2	Very low	191 Å²	191	141 Å²	141	84%	0.838	77%	0.772	S	S	*	*			trans	-94.5	100.3	153.8	-80.7	-81.3	0	0	0	107.4	I23	I23-F25 HydrophobicContact CB-CE2 4.48Å; I23-F25 HydrophobicContact CG2-CD2 3.91Å; I23-F25 HydrophobicContact CG2-CE2 3.61Å; I23-F25 HydrophobicContact CG2-CZ 4.19Å; I23-F25 PolarHBondContact O-N 3.32Å
26	V	23.7	Very low	25	Very low	105 Å²	105	142.2 Å²	142.2	64%	0.636	78%	0.775	S	S	*	*			trans	-76.5	131.9	163.8	166.7	0	0	0	0	107.3
27	E	21.7	Very low	24.9	Very low	149 Å²	149	145.6 Å²	145.6	70%	0.696	77%	0.774	S	S	*	*			trans	32.5	105.8	149.8	-63.7	159.8	-178.4	0	0	118
28	N	25.4	Very low	24.6	Very low	171 Å²	171	144.6 Å²	144.6	91%	0.914	77%	0.77	S	S	*	*				-113	99.5	128.8	-86.8	-24	0	0	0	106.4
29	E	24	Very low	24.5	Very low	154 Å²	154	146.4 Å²	146.4	72%	0.72	77%	0.773	S	S	*	*			trans	-62	158	154.8	-64.9	-174.8	140.1	0	0	108.8
30	D	24.8	Very low	24.5	Very low	154 Å²	154	147 Å²	147	82%	0.824	77%	0.768	S	S	*	*			trans	81.2	83.2	179.6	-53	-27.4	0	0	0	116.4
31	E	25.8	Very low	24.5	Very low	177 Å²	177	149.3 Å²	149.3	83%	0.827	77%	0.768	S	S	*	*	S	Bend		173.8	133.6	103.3	-91.2	-175.9	173.2	0	0	111.4
32	N	27	Very low	24.4	Very low	134 Å²	134	149.5 Å²	149.5	72%	0.717	77%	0.768	S	S	*	*			trans	70.9	60.9	162.4	-61.5	-31.8	0	0	0	118.8	I34	N32-I34 PolarHBondContact O-N 3.03Å
33	S	24.2	Very low	25	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	73%	0.733	S	S	*	*			trans	-73	78	146.4	62.7	0	0	0	0	110.2	K35	S33-K35 PolarHBondContact O-N 2.83Å
34	I	26.2	Very low	25.5	Very low	145 Å²	145	138.4 Å²	138.4	74%	0.744	73%	0.73	S	S	*	*			trans	-69.5	85.5	156.6	-60.1	175	0	0	0	105.4	N32 T36	N32-I34 PolarHBondContact O-N 3.03Å; I34-T36 PolarHBondContact O-N 3.36Å; I34-T36 VanDerWaalsContact O-N 3.07Å
35	K	23.5	Very low	26.3	Very low	176 Å²	176	130.8 Å²	130.8	77%	0.765	70%	0.697	S	S	*	*			trans	-54.2	116	163.5	-78.5	178.3	177.3	173.5	0	106.3	S33 Q37	S33-K35 PolarHBondContact O-N 2.83Å; K35-Q37 PolarHBondContact O-N 2.82Å
36	T	24.2	Very low	26.7	Very low	138 Å²	138	125 Å²	125	85%	0.847	68%	0.68	S	S	*	*			trans	-58.3	79.7	164.1	37.9	0	0	0	0	108.4	I34 S38	I34-T36 PolarHBondContact O-N 3.36Å; I34-T36 VanDerWaalsContact O-N 3.07Å; T36-S38 PolarHBondContact O-N 3.33Å; T36-S38 VanDerWaalsContact O-N 3.08Å
37	Q	22.2	Very low	27.1	Very low	170 Å²	170	130 Å²	130	79%	0.794	69%	0.693	S	S	*	*			trans	-56.3	114.5	152.7	-92.9	176.7	-14.8	0	0	104.7	K35 D39	K35-Q37 PolarHBondContact O-N 2.82Å; Q37-D39 PolarHBondContact O-N 3.23Å
38	S	24.7	Very low	27.3	Very low	98 Å²	98	130.9 Å²	130.9	69%	0.685	70%	0.695	S	S	*	*			trans	-40.9	109.6	161.8	52	0	0	0	0	107.4	T36 K40	T36-S38 PolarHBondContact O-N 3.33Å; T36-S38 VanDerWaalsContact O-N 3.08Å; S38-K40 PolarHBondContact O-N 3.04Å
39	D	24.4	Very low	27.3	Very low	151 Å²	151	127.5 Å²	127.5	81%	0.807	68%	0.683	S	S	*	*			trans	-58.7	90.3	174.8	-76.5	-39.4	0	0	0	107.2	Q37 V41	Q37-D39 PolarHBondContact O-N 3.23Å; D39-V41 PolarHBondContact O-N 2.88Å
40	K	23.7	Very low	27.4	Very low	180 Å²	180	124.4 Å²	124.4	78%	0.783	68%	0.678	S	S	*	*			trans	-59.2	101.7	153.4	-74.9	-176.8	175.9	-177.1	0	103.1	S38 C42	S38-K40 PolarHBondContact O-N 3.04Å; K40-C42 PolarHBondContact O-N 3.49Å
41	V	26.7	Very low	27.5	Very low	116 Å²	116	122.7 Å²	122.7	70%	0.703	68%	0.678	S	S	*	*			trans	-61.4	86.9	174.3	179.1	0	0	0	0	107	D39 F43	D39-V41 PolarHBondContact O-N 2.88Å; V41-F43 PolarHBondContact O-N 3.01Å; V41-F43 VanDerWaalsContact O-N 3.08Å
42	C	26.4	Very low	27.6	Very low	108 Å²	108	121.4 Å²	121.4	73%	0.73	68%	0.676	S	S	*	*			trans	-71.5	99.3	171.6	-83.2	0	0	0	0	107.8	K40	K40-C42 PolarHBondContact O-N 3.49Å
43	F	37.4	Very low	27.7	Very low	38 Å²	38	118.7 Å²	118.7	17%	0.167	67%	0.668	C	S	.	*			trans	33.3	112.8	144.2	-85.2	-88.3	0	0	0	119.6	V41 F45 L132 T133 W134	V41-F43 PolarHBondContact O-N 3.01Å; V41-F43 VanDerWaalsContact O-N 3.08Å; F43-F45 HydrophobicContact CD1-CB 3.74Å; F43-F45 AromaticContact CD1-CD2 3.19Å; F43-F45 HydrophobicContact CD1-CD2 3.19Å; F43-F45 HydrophobicContact CD1-CE2 4.01Å; F43-F45 AromaticContact CD1-CG 3.69Å; F43-F45 HydrophobicContact CD1-CG 3.69Å; F43-F45 AromaticContact CE1-CD2 3.24Å; F43-F45 HydrophobicContact CE1-CD2 3.24Å; F43-F45 AromaticContact CE1-CE2 3.56Å; F43-F45 HydrophobicContact CE1-CE2 3.56Å; F43-F45 HydrophobicContact CE1-CG 4.03Å; F43-F45 HydrophobicContact CG-CD2 4.41Å; F43-F45 HydrophobicContact CZ-CD2 4.47Å; F43-F45 PolarHBondContact O-N 3.33Å; F43-L132 WeakPolarHBondContact CD1-O 3.45Å; F43-L132 WeakPolarHBondContact CE1-O 3.43Å; F43-T133 HydrophobicContact CD2-CG2 3.7Å; F43-T133 HydrophobicContact CE2-CG2 3.51Å; F43-T133 VanDerWaalsContact CZ-C 3.49Å; F43-T133 HydrophobicContact CZ-CG2 4.32Å; F43-W134 HydrophobicContact CZ-CB 4.25Å; F43-W134 AromaticContact CZ-CD1 3.66Å; F43-W134 AromaticContact CZ-CG 4Å; F43-W134 HydrophobicContact CZ-CG 4Å
44	G	34.8	Very low	28.2	Very low	54 Å²	54	118.6 Å²	118.6	56%	0.557	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	15.8	152.4	0	0	0	0	0	114.9	R114	G44-R114 PolarHBondContact O-NH2 2.85Å
45	F	37.7	Very low	28.7	Very low	28 Å²	28	114 Å²	114	12%	0.123	64%	0.643	C	S	.	*	T	Hydrogen-bonded Turn	trans	-103	8	170.5	-58.1	-118.1	0	0	0	112.6	F43 K47 I118 F121 W134 L159	F43-F45 HydrophobicContact CD1-CB 3.74Å; F43-F45 AromaticContact CD1-CD2 3.19Å; F43-F45 HydrophobicContact CD1-CD2 3.19Å; F43-F45 HydrophobicContact CD1-CE2 4.01Å; F43-F45 AromaticContact CD1-CG 3.69Å; F43-F45 HydrophobicContact CD1-CG 3.69Å; F43-F45 AromaticContact CE1-CD2 3.24Å; F43-F45 HydrophobicContact CE1-CD2 3.24Å; F43-F45 AromaticContact CE1-CE2 3.56Å; F43-F45 HydrophobicContact CE1-CE2 3.56Å; F43-F45 HydrophobicContact CE1-CG 4.03Å; F43-F45 HydrophobicContact CG-CD2 4.41Å; F43-F45 HydrophobicContact CZ-CD2 4.47Å; F43-F45 PolarHBondContact O-N 3.33Å; F45-K47 PolarHBondContact O-N 2.82Å; F45-I118 HydrophobicContact CD1-CB 3.93Å; F45-I118 HydrophobicContact CD1-CD1 3.97Å; F45-I118 HydrophobicContact CD1-CG1 3.45Å; F45-I118 VanDerWaalsContact CD1-CG1 3.45Å; F45-I118 HydrophobicContact CD1-CG2 3.64Å; F45-I118 HydrophobicContact CE1-CB 4.1Å; F45-I118 HydrophobicContact CE1-CD1 4.47Å; F45-I118 HydrophobicContact CE1-CG1 3.57Å; F45-I118 HydrophobicContact CE1-CG2 4.23Å; F45-I118 HydrophobicContact CG-CG1 4.4Å; F45-F121 HydrophobicContact CE1-CD2 4.22Å; F45-F121 HydrophobicContact CZ-CD2 4.34Å; F45-W134 AromaticContact CE2-CE2 3.75Å; F45-W134 HydrophobicContact CE2-CH2 4.45Å; F45-W134 AromaticContact CE2-CZ2 3.64Å; F45-W134 HydrophobicContact CE2-CZ2 3.64Å; F45-W134 AromaticContact CE2-NE1 3.86Å; F45-W134 AromaticContact CZ-CH2 3.98Å; F45-W134 HydrophobicContact CZ-CH2 3.98Å; F45-W134 AromaticContact CZ-CZ2 3.59Å; F45-W134 HydrophobicContact CZ-CZ2 3.59Å; F45-L159 HydrophobicContact CE2-CD2 4.4Å; F45-L159 HydrophobicContact CZ-CD2 4.08Å
46	S	32	Very low	29.9	Very low	68 Å²	68	110.8 Å²	110.8	48%	0.476	63%	0.629	S	S	.	*			trans	-63.7	129.5	169.5	177	0	0	0	0	109.9	K48	S46-K48 WeakPolarHBondContact CB-O 3.5Å; S46-K48 PolarHBondContact O-N 2.95Å; S46-K48 PolarHBondContact OG-N 2.77Å; S46-K48 PolarHBondContact OG-O 3.28Å
47	K	33.2	Very low	31.3	Very low	210 Å²	210	108 Å²	108	91%	0.913	61%	0.609	S	S	*	*	S	Bend	trans	-61.4	-3.5	166.2	-74.3	-178.7	179	172.6	0	113	F45	F45-K47 PolarHBondContact O-N 2.82Å
48	K	24.8	Very low	33.3	Very low	168 Å²	168	101.3 Å²	101.3	73%	0.73	58%	0.581	S	S	*	*	S	Bend	trans	-120.3	122.8	174.9	-71.6	-176.7	177	179.2	0	110.4	S46 S50	S46-K48 WeakPolarHBondContact CB-O 3.5Å; S46-K48 PolarHBondContact O-N 2.95Å; S46-K48 PolarHBondContact OG-N 2.77Å; S46-K48 PolarHBondContact OG-O 3.28Å; K48-S50 PolarHBondContact O-N 2.78Å
49	P	25.4	Very low	35.5	Very low	101 Å²	101	98 Å²	98	66%	0.656	56%	0.558	S	S	*	*			trans	-72.2	102.4	178.4	28.7	-31	0	0	0	109.9	S51 T54	P49-S51 PolarHBondContact O-N 3.41Å; P49-T54 HydrophobicContact CB-CG2 3.49Å; P49-T54 VanDerWaalsContact CB-CG2 3.49Å; P49-T54 HydrophobicContact CG-CG2 3.74Å
50	S	26.2	Very low	38.2	Very low	88 Å²	88	91.4 Å²	91.4	62%	0.615	52%	0.523	S	S	*	.			trans	-82.4	103.8	172.6	48.2	0	0	0	0	110.8	K48 L52	K48-S50 PolarHBondContact O-N 2.78Å; S50-L52 PolarHBondContact O-N 3.2Å
51	S	27.8	Very low	41	Very low	118 Å²	118	85.1 Å²	85.1	83%	0.825	50%	0.502	S	S	*	.	S	Bend	trans	52.2	26.1	141.7	67.1	0	0	0	0	122.4	P49	P49-S51 PolarHBondContact O-N 3.41Å
52	L	27.8	Very low	43.8	Very low	150 Å²	150	80.5 Å²	80.5	79%	0.785	48%	0.476	S	S	*	.	S	Bend	trans	-124	114.7	148.2	-145.3	75.5	0	0	0	107.5	S50	S50-L52 PolarHBondContact O-N 3.2Å
53	S	28.7	Very low	46.8	Very low	78 Å²	78	75.7 Å²	75.7	55%	0.545	44%	0.443	S	S	.	.			trans	-5.9	114.6	-171.9	59	0	0	0	0	117.8	S55	S53-S55 PolarHBondContact O-N 2.88Å
54	T	33.5	Very low	49.4	Very low	107 Å²	107	75.4 Å²	75.4	66%	0.656	44%	0.443	S	S	*	.	S	Bend	trans	-69.2	33.2	173	47.2	0	0	0	0	115.2	P49	P49-T54 HydrophobicContact CB-CG2 3.49Å; P49-T54 VanDerWaalsContact CB-CG2 3.49Å; P49-T54 HydrophobicContact CG-CG2 3.74Å
55	S	37.9	Very low	51.9	Low	50 Å²	50	77.4 Å²	77.4	35%	0.35	45%	0.446	S	S	.	.			trans	-116.3	94.8	169.1	59.2	0	0	0	0	108.1	S53 D57 S58	S53-S55 PolarHBondContact O-N 2.88Å; S55-D57 PolarHBondContact O-N 3.49Å; S55-S58 PolarHBondContact O-N 3.32Å
56	F	48.3	Very low	54.4	Low	107 Å²	107	78 Å²	78	47%	0.469	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-12.3	166.4	-69.8	-81.4	0	0	0	111.9	S58 S61	F56-S58 VanDerWaalsContact C-N 3.34Å; F56-S58 PolarHBondContact O-N 3.08Å; F56-S61 WeakPolarHBondContact O-CB 2.98Å; F56-S61 PolarHBondContact O-OG 3.36Å
57	D	53.8	Low	57.2	Low	80 Å²	80	74.8 Å²	74.8	43%	0.428	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	18.1	179.3	-48.9	-51.9	0	0	0	114.2	S55 L106	S55-D57 PolarHBondContact O-N 3.49Å; D57-L106 HydrophobicContact CB-CD1 4.34Å; D57-L106 WeakPolarHBondContact O-CD1 3.25Å
58	S	64.2	Low	59.8	Low	29 Å²	29	66.1 Å²	66.1	20%	0.203	40%	0.395	C	S	.	.	S	Bend	trans	-89.2	144.7	174.1	68.2	0	0	0	0	111.7	S55 F56 C60 S61	S55-S58 PolarHBondContact O-N 3.32Å; F56-S58 VanDerWaalsContact C-N 3.34Å; F56-S58 PolarHBondContact O-N 3.08Å; S58-C60 PolarHBondContact O-N 3.33Å; S58-S61 WeakPolarHBondContact O-CB 3.24Å; S58-S61 PolarHBondContact O-N 3.03Å; S58-S61 PolarHBondContact O-OG 2.77Å; S58-S61 VanDerWaalsContact O-OG 3.1Å
59	P	71.1	Confident	62.6	Low	29 Å²	29	58.9 Å²	58.9	19%	0.188	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	138.8	168.2	-31.2	40.3	0	0	0	111.8	S61 V76 A80	P59-S61 PolarHBondContact O-N 3.13Å; P59-V76 HydrophobicContact CB-CG1 4.41Å; P59-A80 HydrophobicContact CB-CB 3.32Å; P59-A80 HydrophobicContact CG-CB 3.43Å; P59-A80 VanDerWaalsContact CG-CB 3.43Å; P59-A80 WeakPolarHBondContact CG-O 3.31Å
60	C	81.1	Confident	65.1	Low	12 Å²	12	57.6 Å²	57.6	8%	0.081	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	17.5	-175.6	-51	0	0	0	0	115.5	S58 A62 V63 I68 D84 E85 G87 I211	S58-C60 PolarHBondContact O-N 3.33Å; C60-A62 PolarHBondContact O-N 3.06Å; C60-V63 HydrophobicContact CB-CB 4.16Å; C60-V63 HydrophobicContact CB-CG2 4.09Å; C60-V63 WeakPolarHBondContact O-CB 3.3Å; C60-V63 PolarHBondContact O-N 2.96Å; C60-I68 HydrophobicContact CB-CD1 3.83Å; C60-D84 PolarHBondContact N-O 3.21Å; C60-E85 CarbonylContact C-O 3.58Å; C60-E85 WeakPolarHBondContact CA-O 3.49Å; C60-G87 VanDerWaalsContact SG-CA 3.54Å; C60-I211 WeakPolarHBondContact SG-CD1 3.17Å
61	S	82	Confident	67.2	Low	49 Å²	49	59 Å²	59	34%	0.343	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.2	-179.7	57.9	0	0	0	0	114.2	F56 S58 P59 E85	F56-S61 WeakPolarHBondContact O-CB 2.98Å; F56-S61 PolarHBondContact O-OG 3.36Å; S58-S61 WeakPolarHBondContact O-CB 3.24Å; S58-S61 PolarHBondContact O-N 3.03Å; S58-S61 PolarHBondContact O-OG 2.77Å; S58-S61 VanDerWaalsContact O-OG 3.1Å; P59-S61 PolarHBondContact O-N 3.13Å; S61-E85 PolarHBondContact N-O 2.82Å
62	A	86.2	Confident	69.1	Low	19 Å²	19	54.8 Å²	54.8	16%	0.157	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-4	177.1	0	0	0	0	0	113.3	C60 E85 F86 H157 F254	C60-A62 PolarHBondContact O-N 3.06Å; A62-E85 WeakPolarHBondContact CB-O 3.12Å; A62-E85 PolarHBondContact N-O 3.22Å; A62-F86 HydrophobicContact CB-CD1 3.64Å; A62-F86 HydrophobicContact CB-CE1 3.47Å; A62-F86 VanDerWaalsContact CB-CE1 3.47Å; A62-F86 HydrophobicContact CB-CZ 4.43Å; A62-H157 HydrophobicContact CB-CB 4.12Å; A62-F254 HydrophobicContact CB-CE1 4.49Å
63	V	89.6	Confident	70.6	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.042	32%	0.316	C	S	.	.	S	Bend	trans	-90.2	137.1	-179.6	-176.2	0	0	0	0	110.2	C60 V67 I68 F86 L253	C60-V63 HydrophobicContact CB-CB 4.16Å; C60-V63 HydrophobicContact CB-CG2 4.09Å; C60-V63 WeakPolarHBondContact O-CB 3.3Å; C60-V63 PolarHBondContact O-N 2.96Å; V63-V67 HydrophobicContact CG1-CG1 3.58Å; V63-I68 HydrophobicContact CB-CD1 4.26Å; V63-I68 HydrophobicContact CB-CG1 4.31Å; V63-I68 HydrophobicContact CG1-CD1 4.33Å; V63-I68 HydrophobicContact CG1-CG1 3.85Å; V63-F86 VanDerWaalsContact CG2-O 3.27Å; V63-F86 WeakPolarHBondContact CG2-O 3.16Å; V63-L253 CarbonylContact C-O 3.51Å; V63-L253 VanDerWaalsContact CA-O 3.25Å; V63-L253 WeakPolarHBondContact CA-O 3.37Å; V63-L253 HydrophobicContact CG1-CD2 4.14Å; V63-L253 HydrophobicContact CG2-CD2 4.38Å
64	I	90.6	Very high	72	Confident	31 Å²	31	52.4 Å²	52.4	16%	0.159	32%	0.323	C	S	.	.			trans	-61.1	127.9	175.5	-169.2	168.8	0	0	0	110.3	S66 V67 L252 L253 E256	I64-S66 PolarHBondContact O-N 3.37Å; I64-V67 HydrophobicContact CG2-CB 4.15Å; I64-V67 HydrophobicContact CG2-CG1 3.73Å; I64-V67 WeakPolarHBondContact O-CG1 3.45Å; I64-V67 PolarHBondContact O-N 3.02Å; I64-L252 WeakPolarHBondContact CG2-O 3.45Å; I64-L253 PolarHBondContact N-O 3.13Å; I64-E256 HydrophobicContact CD1-CG 3.97Å; I64-E256 WeakPolarHBondContact CD1-OE1 3.19Å
65	P	88.1	Confident	72.8	Confident	96 Å²	96	50.1 Å²	50.1	62%	0.623	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-57.4	-28.5	-173.3	-29.8	35.8	0	0	0	114.9	V67 I68	P65-V67 VanDerWaalsContact C-N 3.25Å; P65-V67 PolarHBondContact O-N 3.24Å; P65-I68 PolarHBondContact O-N 2.72Å
66	S	90.6	Very high	73.4	Confident	40 Å²	40	49.8 Å²	49.8	28%	0.28	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-69.5	-16	-176	62.6	0	0	0	0	114.5	I64 R223 E256	I64-S66 PolarHBondContact O-N 3.37Å; S66-R223 PolarHBondContact OG-NH1 3.42Å; S66-R223 PolarHBondContact OG-NH2 2.97Å; S66-E256 VanDerWaalsContact CB-OE1 3.27Å; S66-E256 WeakPolarHBondContact CB-OE1 3.25Å; S66-E256 PolarHBondContact OG-OE1 3.02Å
67	V	90	Very high	73.4	Confident	1 Å²	1	56 Å²	56	1%	0.006	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-103.5	-7.9	177	81.9	0	0	0	0	113	V63 I64 P65 C212 I219	V63-V67 HydrophobicContact CG1-CG1 3.58Å; I64-V67 HydrophobicContact CG2-CB 4.15Å; I64-V67 HydrophobicContact CG2-CG1 3.73Å; I64-V67 WeakPolarHBondContact O-CG1 3.45Å; I64-V67 PolarHBondContact O-N 3.02Å; P65-V67 VanDerWaalsContact C-N 3.25Å; P65-V67 PolarHBondContact O-N 3.24Å; V67-C212 HydrophobicContact CG1-CB 4.28Å; V67-C212 HydrophobicContact CG2-CB 4.25Å; V67-C212 PolarHBondContact O-SG 3.24Å; V67-I219 HydrophobicContact CG2-CG2 4.42Å
68	I	87.7	Confident	73.2	Confident	29 Å²	29	62.8 Å²	62.8	15%	0.149	34%	0.343	C	S	.	.	S	Bend	trans	-74.4	132.2	178.3	-58.3	177.9	0	0	0	109.4	C60 V63 P65 A70 L72 I211	C60-I68 HydrophobicContact CB-CD1 3.83Å; V63-I68 HydrophobicContact CB-CD1 4.26Å; V63-I68 HydrophobicContact CB-CG1 4.31Å; V63-I68 HydrophobicContact CG1-CD1 4.33Å; V63-I68 HydrophobicContact CG1-CG1 3.85Å; P65-I68 PolarHBondContact O-N 2.72Å; I68-A70 PolarHBondContact O-N 3.07Å; I68-L72 HydrophobicContact CG2-CB 4.34Å; I68-I211 HydrophobicContact CG2-CD1 4.43Å
69	P	83.5	Confident	72.4	Confident	15 Å²	15	66.3 Å²	66.3	10%	0.097	35%	0.354	C	S	.	.			trans	-55.9	131.3	176.1	-25.6	33.9	0	0	0	113	H71 L72 S73 I211	P69-H71 VanDerWaalsContact C-N 3.25Å; P69-H71 WeakPolarHBondContact CB-CE1 3.16Å; P69-H71 PolarHBondContact O-N 3.41Å; P69-H71 VanDerWaalsContact O-N 3.13Å; P69-L72 HydrophobicContact CB-CD1 4.26Å; P69-L72 HydrophobicContact CG-CD1 4.16Å; P69-L72 WeakPolarHBondContact O-CB 3.34Å; P69-L72 PolarHBondContact O-N 2.72Å; P69-S73 PolarHBondContact O-N 3.13Å; P69-I211 WeakPolarHBondContact CG-O 3.3Å
70	A	77.7	Confident	71.3	Confident	75 Å²	75	65.4 Å²	65.4	62%	0.62	35%	0.349	S	S	*	.	H	α-helix	trans	-55.7	-36.2	-174.6	0	0	0	0	0	113.7	I68 L72 S73	I68-A70 PolarHBondContact O-N 3.07Å; A70-L72 PolarHBondContact O-N 3.13Å; A70-S73 WeakPolarHBondContact O-CB 3.35Å; A70-S73 PolarHBondContact O-N 3.46Å; A70-S73 VanDerWaalsContact O-N 3.11Å; A70-S73 PolarHBondContact O-OG 2.88Å
71	H	70.3	Confident	70	Confident	116 Å²	116	69.2 Å²	69.2	54%	0.537	38%	0.375	S	S	.	.	H	α-helix	trans	-67	-16.6	178.4	69	-91.3	0	0	0	114.1	P69	P69-H71 VanDerWaalsContact C-N 3.25Å; P69-H71 WeakPolarHBondContact CB-CE1 3.16Å; P69-H71 PolarHBondContact O-N 3.41Å; P69-H71 VanDerWaalsContact O-N 3.13Å
72	L	68.2	Low	69.5	Low	30 Å²	30	72.2 Å²	72.2	16%	0.157	38%	0.382	C	S	.	.	H	α-helix	trans	-92.3	-28.7	172.6	-67.7	169.6	0	0	0	111.5	I68 P69 A70 S74 D75 V76 K79 I211	I68-L72 HydrophobicContact CG2-CB 4.34Å; P69-L72 HydrophobicContact CB-CD1 4.26Å; P69-L72 HydrophobicContact CG-CD1 4.16Å; P69-L72 WeakPolarHBondContact O-CB 3.34Å; P69-L72 PolarHBondContact O-N 2.72Å; A70-L72 PolarHBondContact O-N 3.13Å; L72-S74 VanDerWaalsContact C-N 3.32Å; L72-S74 PolarHBondContact O-N 2.88Å; L72-D75 CarbonylContact O-C 3.09Å; L72-D75 PolarHBondContact O-N 2.83Å; L72-D75 VanDerWaalsContact O-N 3.13Å; L72-V76 WeakPolarHBondContact O-CG2 3.43Å; L72-V76 PolarHBondContact O-N 2.91Å; L72-K79 HydrophobicContact CD2-CB 4.28Å; L72-I211 HydrophobicContact CD1-CB 4.29Å; L72-I211 HydrophobicContact CD1-CD1 3.67Å
73	S	60.5	Low	69.2	Low	79 Å²	79	72 Å²	72	55%	0.552	38%	0.38	S	S	*	.	H	α-helix	trans	-59.1	-35.2	-175.2	72.4	0	0	0	0	114.5	P69 A70	P69-S73 PolarHBondContact O-N 3.13Å; A70-S73 WeakPolarHBondContact O-CB 3.35Å; A70-S73 PolarHBondContact O-N 3.46Å; A70-S73 VanDerWaalsContact O-N 3.11Å; A70-S73 PolarHBondContact O-OG 2.88Å
74	S	56.9	Low	69	Low	99 Å²	99	73.8 Å²	73.8	69%	0.692	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-24.1	177.8	58.9	0	0	0	0	113.7	L72	L72-S74 VanDerWaalsContact C-N 3.32Å; L72-S74 PolarHBondContact O-N 2.88Å
75	D	51.3	Low	68.7	Low	59 Å²	59	73.1 Å²	73.1	32%	0.316	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	11.4	-167.5	-99.6	-5.3	0	0	0	113.4	L72 R77 R78 K79	L72-D75 CarbonylContact O-C 3.09Å; L72-D75 PolarHBondContact O-N 2.83Å; L72-D75 VanDerWaalsContact O-N 3.13Å; D75-R77 PolarHBondContact O-N 3.23Å; D75-R78 PolarHBondContact O-N 3.08Å; D75-K79 HydrophobicContact CB-CD 4.27Å; D75-K79 PolarHBondContact O-N 3.49Å; D75-K79 IonicContact OD2-NZ 2.72Å; D75-K79 PolarHBondContact OD2-NZ 3.4Å
76	V	50.7	Low	68.8	Low	43 Å²	43	68.7 Å²	68.7	26%	0.261	36%	0.356	S	S	.	.	H	α-helix	trans	-46.6	-44.3	-174.9	-175.5	0	0	0	0	111	P59 L72 R78 A80	P59-V76 HydrophobicContact CB-CG1 4.41Å; L72-V76 WeakPolarHBondContact O-CG2 3.43Å; L72-V76 PolarHBondContact O-N 2.91Å; V76-R78 PolarHBondContact O-N 2.91Å; V76-A80 HydrophobicContact CG1-CB 3.74Å; V76-A80 WeakPolarHBondContact O-CA 3.41Å; V76-A80 WeakPolarHBondContact O-CB 3.42Å; V76-A80 PolarHBondContact O-N 2.79Å
77	R	48.4	Very low	68.7	Low	239 Å²	239	66.8 Å²	66.8	90%	0.902	34%	0.343	S	S	*	.	H	α-helix	trans	-68.2	-27.9	-175.1	-60.2	-170.2	-149.1	-156.7	6.5	115.3	D75	D75-R77 PolarHBondContact O-N 3.23Å
78	R	47.8	Very low	68.8	Low	221 Å²	221	68.5 Å²	68.5	83%	0.834	35%	0.35	S	S	*	.	H	α-helix	trans	-98.3	-36.6	-179.1	-77.7	-171	-159.2	147.3	4.9	113.5	D75 V76	D75-R78 PolarHBondContact O-N 3.08Å; V76-R78 PolarHBondContact O-N 2.91Å
79	K	47.7	Very low	68.7	Low	103 Å²	103	71.5 Å²	71.5	45%	0.448	36%	0.362	S	S	.	.	H	α-helix	trans	-93.3	-14.3	-179.4	-77.1	176.8	-176.3	140.9	0	113.5	L72 D75 C81 F82	L72-K79 HydrophobicContact CD2-CB 4.28Å; D75-K79 HydrophobicContact CB-CD 4.27Å; D75-K79 PolarHBondContact O-N 3.49Å; D75-K79 IonicContact OD2-NZ 2.72Å; D75-K79 PolarHBondContact OD2-NZ 3.4Å; K79-C81 VanDerWaalsContact C-N 3.31Å; K79-C81 PolarHBondContact O-N 2.79Å; K79-F82 WeakPolarHBondContact O-CD2 3.37Å
80	A	49.6	Very low	68.2	Low	10 Å²	10	72.2 Å²	72.2	8%	0.083	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-90.8	15.3	-174.2	0	0	0	0	0	115.2	P59 V76 F82 C83	P59-A80 HydrophobicContact CB-CB 3.32Å; P59-A80 HydrophobicContact CG-CB 3.43Å; P59-A80 VanDerWaalsContact CG-CB 3.43Å; P59-A80 WeakPolarHBondContact CG-O 3.31Å; V76-A80 HydrophobicContact CG1-CB 3.74Å; V76-A80 WeakPolarHBondContact O-CA 3.41Å; V76-A80 WeakPolarHBondContact O-CB 3.42Å; V76-A80 PolarHBondContact O-N 2.79Å; A80-F82 PolarHBondContact O-N 3.46Å; A80-C83 PolarHBondContact O-N 2.59Å
81	C	53.4	Low	67.5	Low	92 Å²	92	73.4 Å²	73.4	62%	0.622	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-55.8	-14.9	164.6	-165.8	0	0	0	0	113	K79	K79-C81 VanDerWaalsContact C-N 3.31Å; K79-C81 PolarHBondContact O-N 2.79Å
82	F	71.6	Confident	66.7	Low	113 Å²	113	71.6 Å²	71.6	50%	0.496	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-99.1	-7.1	-171.4	-54.7	-68.3	0	0	0	116.2	K79 A80 K89 A90 L95	K79-F82 WeakPolarHBondContact O-CD2 3.37Å; A80-F82 PolarHBondContact O-N 3.46Å; F82-K89 CarbonylContact O-C 3.5Å; F82-K89 VanDerWaalsContact O-CA 3.26Å; F82-K89 WeakPolarHBondContact O-CA 3.4Å; F82-A90 PolarHBondContact O-N 3.04Å; F82-L95 HydrophobicContact CD1-CD1 4.16Å; F82-L95 HydrophobicContact CD1-CD2 4.27Å; F82-L95 HydrophobicContact CE1-CD2 3.99Å
83	C	79.6	Confident	65.8	Low	15 Å²	15	76.7 Å²	76.7	10%	0.101	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-134.7	157.6	-178.4	60.5	0	0	0	0	114.3	A80 F88 I211	A80-C83 PolarHBondContact O-N 2.59Å; C83-F88 CarbonylContact C-O 3.54Å; C83-F88 WeakPolarHBondContact CA-O 3.32Å; C83-F88 WeakPolarHBondContact CB-O 3.16Å; C83-I211 HydrophobicContact CB-CG2 4.47Å
84	D	85.8	Confident	65.2	Low	43 Å²	43	76.2 Å²	76.2	23%	0.23	39%	0.391	C	S	.	.			trans	-80.4	-177.2	176.4	70.2	10.1	0	0	0	113.3	C60 F86 G87 F88	C60-D84 PolarHBondContact N-O 3.21Å; D84-F86 PolarHBondContact O-N 2.81Å; D84-F86 VanDerWaalsContact O-N 3.17Å; D84-F86 WeakPolarHBondContact OD1-CA 3.39Å; D84-F86 PolarHBondContact OD1-N 3.42Å; D84-G87 PolarHBondContact O-N 2.78Å; D84-G87 VanDerWaalsContact O-N 3.1Å; D84-G87 PolarHBondContact OD1-N 2.82Å; D84-F88 PolarHBondContact N-O 3.23Å; D84-F88 PolarHBondContact OD1-N 3.48Å
85	E	83.8	Confident	64.5	Low	18 Å²	18	74.1 Å²	74.1	8%	0.084	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.3	177.8	60.4	-88.9	-155	0	0	114.2	C60 S61 A62 L106 L107	C60-E85 CarbonylContact C-O 3.58Å; C60-E85 WeakPolarHBondContact CA-O 3.49Å; S61-E85 PolarHBondContact N-O 2.82Å; A62-E85 WeakPolarHBondContact CB-O 3.12Å; A62-E85 PolarHBondContact N-O 3.22Å; E85-L106 HydrophobicContact CB-CD2 4.12Å; E85-L107 PolarHBondContact OE1-N 3.41Å
86	F	89.6	Confident	64	Low	2 Å²	2	79.4 Å²	79.4	1%	0.009	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	1.5	178.2	-54.4	-66.1	0	0	0	113.2	A62 V63 D84 F88 H157 N210 F254 F331 L335	A62-F86 HydrophobicContact CB-CD1 3.64Å; A62-F86 HydrophobicContact CB-CE1 3.47Å; A62-F86 VanDerWaalsContact CB-CE1 3.47Å; A62-F86 HydrophobicContact CB-CZ 4.43Å; V63-F86 VanDerWaalsContact CG2-O 3.27Å; V63-F86 WeakPolarHBondContact CG2-O 3.16Å; D84-F86 PolarHBondContact O-N 2.81Å; D84-F86 VanDerWaalsContact O-N 3.17Å; D84-F86 WeakPolarHBondContact OD1-CA 3.39Å; D84-F86 PolarHBondContact OD1-N 3.42Å; F86-F88 HydrophobicContact CB-CD2 3.75Å; F86-F88 HydrophobicContact CB-CE2 3.81Å; F86-H157 AromaticContact CE1-CE1 3.6Å; F86-H157 AromaticContact CE1-ND1 3.32Å; F86-H157 VanDerWaalsContact CE1-ND1 3.32Å; F86-H157 WeakPolarHBondContact CE1-ND1 3.49Å; F86-H157 AromaticContact CZ-CE1 3.27Å; F86-H157 WeakPolarHBondContact CZ-CE1 3.16Å; F86-H157 AromaticContact CZ-ND1 3.52Å; F86-N210 PolarHBondContact O-ND2 3.06Å; F86-F254 HydrophobicContact CD1-CE1 4.2Å; F86-F254 HydrophobicContact CD1-CZ 4.04Å; F86-F254 HydrophobicContact CE1-CE1 4.09Å; F86-F254 HydrophobicContact CE1-CZ 4.08Å; F86-F331 HydrophobicContact CB-CD1 4.14Å; F86-F331 HydrophobicContact CB-CE1 3.78Å; F86-F331 HydrophobicContact CB-CZ 4.39Å; F86-F331 HydrophobicContact CD1-CD1 4.01Å; F86-F331 AromaticContact CD1-CE1 3.39Å; F86-F331 HydrophobicContact CD1-CE1 3.39Å; F86-F331 HydrophobicContact CD1-CZ 4.38Å; F86-F331 AromaticContact CD2-CD1 3.42Å; F86-F331 HydrophobicContact CD2-CD1 3.42Å; F86-F331 VanDerWaalsContact CD2-CD1 3.42Å; F86-F331 AromaticContact CD2-CE1 3.71Å; F86-F331 HydrophobicContact CD2-CE1 3.71Å; F86-F331 HydrophobicContact CD2-CG 4.49Å; F86-F331 HydrophobicContact CE1-CD1 4.31Å; F86-F331 AromaticContact CE1-CE1 3.88Å; F86-F331 HydrophobicContact CE1-CE1 3.88Å; F86-F331 AromaticContact CE2-CD1 3.78Å; F86-F331 HydrophobicContact CE2-CD1 3.78Å; F86-F331 HydrophobicContact CE2-CE1 4.17Å; F86-F331 AromaticContact CG-CD1 3.56Å; F86-F331 HydrophobicContact CG-CD1 3.56Å; F86-F331 AromaticContact CG-CE1 3.3Å; F86-F331 HydrophobicContact CG-CE1 3.3Å; F86-F331 HydrophobicContact CG-CZ 4.31Å; F86-F331 HydrophobicContact CZ-CD1 4.23Å; F86-F331 HydrophobicContact CZ-CE1 4.26Å; F86-L335 HydrophobicContact CE1-CD1 3.84Å; F86-L335 HydrophobicContact CZ-CD1 3.86Å
87	G	89.7	Confident	63.4	Low	0 Å²	0	81.3 Å²	81.3	0%	0	41%	0.409	C	S	.	.			trans	81.6	14.8	178.8	0	0	0	0	0	114.8	C60 D84 N210 I211	C60-G87 VanDerWaalsContact SG-CA 3.54Å; D84-G87 PolarHBondContact O-N 2.78Å; D84-G87 VanDerWaalsContact O-N 3.1Å; D84-G87 PolarHBondContact OD1-N 2.82Å; G87-N210 WeakPolarHBondContact O-CA 3.36Å; G87-I211 PolarHBondContact O-N 3.02Å
88	F	90.7	Very high	62.8	Low	38 Å²	38	75.5 Å²	75.5	17%	0.167	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-78.8	132.6	170.3	-65.2	-79.7	0	0	0	110.6	C83 D84 F86 L207 N210 L253 F331	C83-F88 CarbonylContact C-O 3.54Å; C83-F88 WeakPolarHBondContact CA-O 3.32Å; C83-F88 WeakPolarHBondContact CB-O 3.16Å; D84-F88 PolarHBondContact N-O 3.23Å; D84-F88 PolarHBondContact OD1-N 3.48Å; F86-F88 HydrophobicContact CB-CD2 3.75Å; F86-F88 HydrophobicContact CB-CE2 3.81Å; F88-L207 HydrophobicContact CE1-CD2 4.18Å; F88-L207 HydrophobicContact CZ-CD2 4.44Å; F88-N210 HydrophobicContact CD1-CB 3.9Å; F88-N210 HydrophobicContact CE1-CB 3.85Å; F88-L253 HydrophobicContact CE2-CD1 4.47Å; F88-L253 HydrophobicContact CZ-CD1 4.44Å; F88-F331 HydrophobicContact CE2-CB 4.46Å; F88-F331 HydrophobicContact CE2-CD1 4.11Å; F88-F331 AromaticContact CE2-CD2 3.54Å; F88-F331 HydrophobicContact CE2-CD2 3.54Å; F88-F331 HydrophobicContact CE2-CE1 4.19Å; F88-F331 AromaticContact CE2-CE2 3.62Å; F88-F331 HydrophobicContact CE2-CE2 3.62Å; F88-F331 AromaticContact CE2-CG 3.79Å; F88-F331 HydrophobicContact CE2-CG 3.79Å; F88-F331 AromaticContact CE2-CZ 3.95Å; F88-F331 HydrophobicContact CE2-CZ 3.95Å; F88-F331 AromaticContact CZ-CD2 3.71Å; F88-F331 HydrophobicContact CZ-CD2 3.71Å; F88-F331 AromaticContact CZ-CE2 3.7Å; F88-F331 HydrophobicContact CZ-CE2 3.7Å; F88-F331 HydrophobicContact CZ-CG 4.4Å; F88-F331 HydrophobicContact CZ-CZ 4.38Å
89	K	86.6	Confident	62.4	Low	92 Å²	92	72.3 Å²	72.3	40%	0.4	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-68.8	136.4	176.9	-64.2	173.1	-174.4	172.9	0	110.3	F82 N209 I211	F82-K89 CarbonylContact O-C 3.5Å; F82-K89 VanDerWaalsContact O-CA 3.26Å; F82-K89 WeakPolarHBondContact O-CA 3.4Å; K89-N209 WeakPolarHBondContact CG-O 3.29Å; K89-N209 PolarHBondContact N-O 3.46Å; K89-I211 HydrophobicContact CG-CG2 4.19Å
90	A	73.4	Confident	61.8	Low	30 Å²	30	70.7 Å²	70.7	25%	0.248	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-65.3	139.2	169.9	0	0	0	0	0	109.9	F82 L95	F82-A90 PolarHBondContact O-N 3.04Å; A90-L95 HydrophobicContact CB-CD1 4.11Å
91	N	61.9	Low	61	Low	100 Å²	100	75.9 Å²	75.9	54%	0.535	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-62.7	142.8	173.3	-67	-14.1	0	0	0	109.3	D93 T94 L95	N91-D93 PolarHBondContact O-N 2.98Å; N91-T94 WeakPolarHBondContact O-CB 3.45Å; N91-T94 PolarHBondContact O-N 3.43Å; N91-T94 PolarHBondContact O-OG1 3.47Å; N91-L95 PolarHBondContact O-N 2.91Å
92	A	52.8	Low	60.1	Low	78 Å²	78	76.6 Å²	76.6	65%	0.645	43%	0.431	S	S	*	.	H	α-helix	trans	-53.9	-36.6	177.9	0	0	0	0	0	111.9	T94 L95	A92-T94 VanDerWaalsContact C-N 3.25Å; A92-T94 PolarHBondContact O-N 3.34Å; A92-L95 VanDerWaalsContact O-CB 3.27Å; A92-L95 WeakPolarHBondContact O-CB 3.46Å; A92-L95 PolarHBondContact O-N 2.97Å
93	D	49.8	Very low	58.8	Low	137 Å²	137	80.6 Å²	80.6	73%	0.733	45%	0.452	S	S	*	.	H	α-helix	trans	-64.4	-26.6	176.9	-54.4	-22.3	0	0	0	113.1	N91	N91-D93 PolarHBondContact O-N 2.98Å
94	T	48.3	Very low	56.8	Low	68 Å²	68	83.4 Å²	83.4	42%	0.417	47%	0.471	S	S	.	.	H	α-helix	trans	-84.2	-17.7	176.4	-25.3	0	0	0	0	112.1	N91 A92 C97 R98	N91-T94 WeakPolarHBondContact O-CB 3.45Å; N91-T94 PolarHBondContact O-N 3.43Å; N91-T94 PolarHBondContact O-OG1 3.47Å; A92-T94 VanDerWaalsContact C-N 3.25Å; A92-T94 PolarHBondContact O-N 3.34Å; T94-C97 PolarHBondContact O-N 3.26Å; T94-R98 PolarHBondContact O-N 3.23Å
95	L	43.3	Very low	54.7	Low	56 Å²	56	90.3 Å²	90.3	29%	0.293	50%	0.499	S	S	.	.	H	α-helix	trans	-70.7	-35.1	179.6	-128.3	91.3	0	0	0	111.5	F82 A90 N91 A92 C97 R98	F82-L95 HydrophobicContact CD1-CD1 4.16Å; F82-L95 HydrophobicContact CD1-CD2 4.27Å; F82-L95 HydrophobicContact CE1-CD2 3.99Å; A90-L95 HydrophobicContact CB-CD1 4.11Å; N91-L95 PolarHBondContact O-N 2.91Å; A92-L95 VanDerWaalsContact O-CB 3.27Å; A92-L95 WeakPolarHBondContact O-CB 3.46Å; A92-L95 PolarHBondContact O-N 2.97Å; L95-C97 VanDerWaalsContact C-N 3.29Å; L95-C97 PolarHBondContact O-N 3.32Å; L95-R98 PolarHBondContact O-N 3.06Å; L95-R98 VanDerWaalsContact O-N 3.09Å
96	E	39.9	Very low	52.9	Low	170 Å²	170	92.7 Å²	92.7	79%	0.794	51%	0.512	S	S	*	.	H	α-helix	trans	-64	-33.5	175.7	-66.3	-167.4	165	0	0	112.1
97	C	37.5	Very low	51.1	Low	82 Å²	82	97.1 Å²	97.1	55%	0.554	54%	0.535	S	S	*	.	H	α-helix	trans	-75.7	-20.1	173.2	-68.9	0	0	0	0	114.1	T94 L95	T94-C97 PolarHBondContact O-N 3.26Å; L95-C97 VanDerWaalsContact C-N 3.29Å; L95-C97 PolarHBondContact O-N 3.32Å
98	R	37.1	Very low	49.7	Very low	117 Å²	117	102.1 Å²	102.1	44%	0.442	56%	0.562	S	S	.	*	H	α-helix	trans	-84	-16.4	-174.9	-87	-177	171.1	-176.6	-1.4	114.6	T94 L95 G100	T94-R98 PolarHBondContact O-N 3.23Å; L95-R98 PolarHBondContact O-N 3.06Å; L95-R98 VanDerWaalsContact O-N 3.09Å; R98-G100 PolarHBondContact O-N 3Å; R98-G100 VanDerWaalsContact O-N 3.09Å
99	N	38.3	Very low	48.8	Very low	155 Å²	155	101.1 Å²	101.1	83%	0.829	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-3.6	177.3	-78.2	-15.8	0	0	0	114.2
100	G	35.8	Very low	48.5	Very low	69 Å²	69	100.9 Å²	100.9	71%	0.711	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.8	4.8	-177.7	0	0	0	0	0	116.9	R98	R98-G100 PolarHBondContact O-N 3Å; R98-G100 VanDerWaalsContact O-N 3.09Å
101	L	31.5	Very low	49.1	Very low	118 Å²	118	103.2 Å²	103.2	62%	0.618	58%	0.576	S	S	*	*			trans	-120.9	101.3	-175.6	-71.5	165.5	0	0	0	111.7	E103	L101-E103 PolarHBondContact O-N 3Å
102	S	36.4	Very low	50.4	Low	107 Å²	107	105.9 Å²	105.9	75%	0.748	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-23.3	120.2	159.8	177.1	0	0	0	0	113.5	S104	S102-S104 WeakPolarHBondContact O-CA 3.48Å; S102-S104 PolarHBondContact O-N 3.44Å
103	E	43.1	Very low	52.4	Low	198 Å²	198	103.1 Å²	103.1	93%	0.925	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	25.8	41	157.6	-76	171.8	150.9	0	0	117.4	L101 K105	L101-E103 PolarHBondContact O-N 3Å; E103-K105 PolarHBondContact O-N 3.29Å
104	S	36.9	Very low	54.3	Low	73 Å²	73	98.8 Å²	98.8	51%	0.51	53%	0.53	S	S	.	.			trans	-78.7	98.3	-170.5	57.1	0	0	0	0	110.9	S102	S102-S104 WeakPolarHBondContact O-CA 3.48Å; S102-S104 PolarHBondContact O-N 3.44Å
105	K	42.9	Very low	56.4	Low	189 Å²	189	100.7 Å²	100.7	82%	0.822	54%	0.537	S	S	*	.			trans	54	64	155.3	-59	-179.5	179	179.9	0	115.8	E103 L107	E103-K105 PolarHBondContact O-N 3.29Å; K105-L107 PolarHBondContact O-N 2.83Å
106	L	46.4	Very low	58.8	Low	67 Å²	67	103.1 Å²	103.1	35%	0.351	55%	0.545	S	S	.	.			trans	-57.3	125.6	139.7	-82.7	116	0	0	0	106	D57 E85 N108	D57-L106 HydrophobicContact CB-CD1 4.34Å; D57-L106 WeakPolarHBondContact O-CD1 3.25Å; E85-L106 HydrophobicContact CB-CD2 4.12Å; L106-N108 VanDerWaalsContact C-N 3.3Å; L106-N108 PolarHBondContact O-N 3.14Å
107	L	51.5	Low	61.5	Low	96 Å²	96	95 Å²	95	50%	0.503	51%	0.507	S	S	.	.			trans	-67.7	95.6	-178.8	-76.8	162.2	0	0	0	108	E85 K105 E109 P332	E85-L107 PolarHBondContact OE1-N 3.41Å; K105-L107 PolarHBondContact O-N 2.83Å; L107-E109 PolarHBondContact O-N 2.84Å; L107-P332 HydrophobicContact CD1-CB 3.81Å; L107-P332 HydrophobicContact CD1-CG 3.61Å
108	N	58.8	Low	64	Low	104 Å²	104	92 Å²	92	56%	0.556	49%	0.486	S	S	*	.			trans	-56.9	133.7	177.5	-153.2	-12.9	0	0	0	109	L106 D110	L106-N108 VanDerWaalsContact C-N 3.3Å; L106-N108 PolarHBondContact O-N 3.14Å; N108-D110 PolarHBondContact O-N 3.45Å; N108-D110 VanDerWaalsContact O-N 3.14Å
109	E	72.3	Confident	66.5	Low	17 Å²	17	88.9 Å²	88.9	8%	0.079	49%	0.485	C	S	.	.			trans	-58.9	120	169.5	-176.1	177.1	-136.9	0	0	107.4	L107 S111 R114 P156 H157 S158	L107-E109 PolarHBondContact O-N 2.84Å; E109-S111 PolarHBondContact O-N 2.85Å; E109-R114 WeakPolarHBondContact OE2-CD 3.45Å; E109-R114 IonicContact OE2-CZ 2.78Å; E109-R114 IonicContact OE2-NH1 2.75Å; E109-R114 PolarHBondContact OE2-NH1 3.26Å; E109-P156 HydrophobicContact CG-CB 3.78Å; E109-P156 VanDerWaalsContact OE1-C 3.29Å; E109-P156 WeakPolarHBondContact OE1-CA 3.4Å; E109-P156 WeakPolarHBondContact OE1-CB 3.21Å; E109-H157 PolarHBondContact OE1-N 3.49Å; E109-H157 VanDerWaalsContact OE1-N 3.1Å; E109-S158 VanDerWaalsContact CD-OG 3.31Å; E109-S158 VanDerWaalsContact OE1-CB 3.32Å; E109-S158 WeakPolarHBondContact OE1-CB 3.24Å; E109-S158 PolarHBondContact OE1-N 3.36Å; E109-S158 PolarHBondContact OE1-OG 3.33Å; E109-S158 PolarHBondContact OE2-OG 3.27Å
110	D	81.5	Confident	69.1	Low	87 Å²	87	82.4 Å²	82.4	47%	0.465	45%	0.449	S	S	.	.			trans	-62	100.8	-179.4	178.3	0.2	0	0	0	109.6	N108 K112 L113 R114	N108-D110 PolarHBondContact O-N 3.45Å; N108-D110 VanDerWaalsContact O-N 3.14Å; D110-K112 PolarHBondContact O-N 3.1Å; D110-K112 WeakPolarHBondContact OD1-CA 3.23Å; D110-K112 WeakPolarHBondContact OD1-CB 3.2Å; D110-K112 PolarHBondContact OD1-N 3.2Å; D110-L113 HydrophobicContact CB-CB 3.85Å; D110-L113 PolarHBondContact O-N 3.34Å; D110-L113 VanDerWaalsContact O-N 3.09Å; D110-L113 PolarHBondContact OD1-N 3.38Å; D110-R114 PolarHBondContact O-N 2.98Å
111	S	84.3	Confident	71.7	Confident	80 Å²	80	79.1 Å²	79.1	56%	0.559	42%	0.415	S	S	*	.	H	α-helix	trans	-55.4	-33.4	179.6	60.2	0	0	0	0	112.7	E109 L115	E109-S111 PolarHBondContact O-N 2.85Å; S111-L115 VanDerWaalsContact O-CG 3.28Å; S111-L115 WeakPolarHBondContact O-CG 3.4Å; S111-L115 PolarHBondContact O-N 3.1Å
112	K	91	Very high	74.4	Confident	156 Å²	156	77.4 Å²	77.4	68%	0.678	40%	0.404	S	S	*	.	H	α-helix	trans	-70.7	-45.2	177.7	-63.9	178.8	-179.7	174.2	0	110.5	D110 R114 L115 K116	D110-K112 PolarHBondContact O-N 3.1Å; D110-K112 WeakPolarHBondContact OD1-CA 3.23Å; D110-K112 WeakPolarHBondContact OD1-CB 3.2Å; D110-K112 PolarHBondContact OD1-N 3.2Å; K112-R114 VanDerWaalsContact C-N 3.33Å; K112-L115 PolarHBondContact O-N 3.05Å; K112-K116 WeakPolarHBondContact O-CG 3.47Å; K112-K116 PolarHBondContact O-N 3.11Å
113	L	93	Very high	76.8	Confident	20 Å²	20	80.9 Å²	80.9	11%	0.105	41%	0.406	C	S	.	.	H	α-helix	trans	-62.5	-41.9	175.5	-178.6	57	0	0	0	111.3	D110 L115 K116 W117 Q153 G154 P156	D110-L113 HydrophobicContact CB-CB 3.85Å; D110-L113 PolarHBondContact O-N 3.34Å; D110-L113 VanDerWaalsContact O-N 3.09Å; D110-L113 PolarHBondContact OD1-N 3.38Å; L113-L115 VanDerWaalsContact C-N 3.35Å; L113-L115 PolarHBondContact O-N 3.18Å; L113-K116 WeakPolarHBondContact O-CB 3.43Å; L113-K116 PolarHBondContact O-N 2.85Å; L113-K116 VanDerWaalsContact O-N 3.14Å; L113-W117 PolarHBondContact O-N 2.81Å; L113-Q153 HydrophobicContact CD1-CB 3.75Å; L113-Q153 WeakPolarHBondContact CD2-O 3.1Å; L113-G154 WeakPolarHBondContact CD2-O 3.41Å; L113-P156 HydrophobicContact CG-CG 4.43Å
114	R	90.9	Very high	78.8	Confident	46 Å²	46	73.9 Å²	73.9	17%	0.174	38%	0.377	C	S	.	.	H	α-helix	trans	-57.6	-46.6	173.5	-178.1	174	170.6	164.5	-3	111.9	G44 E109 D110 K112 K116 W117 I118 P156 S158	G44-R114 PolarHBondContact O-NH2 2.85Å; E109-R114 WeakPolarHBondContact OE2-CD 3.45Å; E109-R114 IonicContact OE2-CZ 2.78Å; E109-R114 IonicContact OE2-NH1 2.75Å; E109-R114 PolarHBondContact OE2-NH1 3.26Å; D110-R114 PolarHBondContact O-N 2.98Å; K112-R114 VanDerWaalsContact C-N 3.33Å; R114-K116 VanDerWaalsContact C-N 3.31Å; R114-K116 PolarHBondContact O-N 2.94Å; R114-W117 WeakPolarHBondContact O-CB 3.4Å; R114-W117 PolarHBondContact O-N 2.56Å; R114-I118 HydrophobicContact CG-CD1 4.14Å; R114-I118 VanDerWaalsContact O-CG1 3.31Å; R114-I118 WeakPolarHBondContact O-CG1 3.43Å; R114-I118 PolarHBondContact O-N 3.45Å; R114-P156 HydrophobicContact CB-CB 4.19Å; R114-P156 HydrophobicContact CB-CG 3.93Å; R114-P156 HydrophobicContact CG-CB 4.45Å; R114-P156 HydrophobicContact CG-CG 4.43Å; R114-S158 PolarHBondContact NH1-OG 3.5Å; R114-S158 VanDerWaalsContact NH1-OG 3.12Å
115	L	91.8	Very high	81	Confident	108 Å²	108	71.4 Å²	71.4	57%	0.565	36%	0.357	S	S	*	.	H	α-helix	trans	-62.1	-36.2	175.9	-73.4	169.3	0	0	0	112.8	S111 K112 L113 I118 A119	S111-L115 VanDerWaalsContact O-CG 3.28Å; S111-L115 WeakPolarHBondContact O-CG 3.4Å; S111-L115 PolarHBondContact O-N 3.1Å; K112-L115 PolarHBondContact O-N 3.05Å; L113-L115 VanDerWaalsContact C-N 3.35Å; L113-L115 PolarHBondContact O-N 3.18Å; L115-I118 PolarHBondContact O-N 3.15Å; L115-A119 WeakPolarHBondContact O-CB 3.39Å; L115-A119 PolarHBondContact O-N 2.89Å
116	K	94.9	Very high	82.5	Confident	106 Å²	106	64.8 Å²	64.8	46%	0.461	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-43.2	173.5	-68.7	-179.7	-173.8	-180	0	112.1	K112 L113 R114 A119 Y120 L150	K112-K116 WeakPolarHBondContact O-CG 3.47Å; K112-K116 PolarHBondContact O-N 3.11Å; L113-K116 WeakPolarHBondContact O-CB 3.43Å; L113-K116 PolarHBondContact O-N 2.85Å; L113-K116 VanDerWaalsContact O-N 3.14Å; R114-K116 VanDerWaalsContact C-N 3.31Å; R114-K116 PolarHBondContact O-N 2.94Å; K116-A119 PolarHBondContact O-N 2.62Å; K116-Y120 WeakPolarHBondContact O-CB 3.34Å; K116-Y120 PolarHBondContact O-N 3.48Å; K116-L150 HydrophobicContact CB-CD2 3.91Å
117	W	94.8	Very high	83.6	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.3	-42.9	175.3	-85.6	98.1	0	0	0	112.2	L113 R114 Y120 F121 L147 L150 V151 G154 V155 P156 L159 V163	L113-W117 PolarHBondContact O-N 2.81Å; R114-W117 WeakPolarHBondContact O-CB 3.4Å; R114-W117 PolarHBondContact O-N 2.56Å; W117-Y120 WeakPolarHBondContact O-CB 3.45Å; W117-Y120 PolarHBondContact O-N 3.28Å; W117-F121 AromaticContact CE3-CE2 3.71Å; W117-F121 HydrophobicContact CE3-CE2 3.71Å; W117-F121 AromaticContact CE3-CZ 3.72Å; W117-F121 HydrophobicContact CE3-CZ 3.72Å; W117-F121 HydrophobicContact CZ3-CE2 4.38Å; W117-F121 AromaticContact CZ3-CZ 3.93Å; W117-F121 HydrophobicContact CZ3-CZ 3.93Å; W117-F121 WeakPolarHBondContact O-CD2 3.35Å; W117-F121 PolarHBondContact O-N 3.03Å; W117-F121 VanDerWaalsContact O-N 3.1Å; W117-L147 HydrophobicContact CH2-CD1 3.75Å; W117-L147 HydrophobicContact CZ3-CD1 3.69Å; W117-L150 HydrophobicContact CD2-CB 4.33Å; W117-L150 HydrophobicContact CD2-CD1 4.49Å; W117-L150 HydrophobicContact CE3-CD1 4.47Å; W117-L150 HydrophobicContact CH2-CB 4.09Å; W117-L150 HydrophobicContact CZ2-CB 3.69Å; W117-V151 HydrophobicContact CH2-CG2 3.79Å; W117-V151 HydrophobicContact CZ2-CG2 4.14Å; W117-G154 PolarHBondContact NE1-O 2.63Å; W117-V155 HydrophobicContact CH2-CG2 4.07Å; W117-V155 HydrophobicContact CZ2-CB 4.43Å; W117-V155 HydrophobicContact CZ2-CG2 3.65Å; W117-P156 HydrophobicContact CG-CG 4.38Å; W117-L159 HydrophobicContact CB-CD1 3.53Å; W117-L159 HydrophobicContact CG-CD1 4.07Å; W117-V163 HydrophobicContact CH2-CG1 4.02Å; W117-V163 HydrophobicContact CZ3-CG1 3.93Å
118	I	90.5	Very high	84.3	Confident	19 Å²	19	70.5 Å²	70.5	10%	0.097	36%	0.356	C	S	.	.	H	α-helix	trans	-58.8	-51.3	175.3	-67.2	176.8	0	0	0	110.6	F45 R114 L115 Y120 F121 E122	F45-I118 HydrophobicContact CD1-CB 3.93Å; F45-I118 HydrophobicContact CD1-CD1 3.97Å; F45-I118 HydrophobicContact CD1-CG1 3.45Å; F45-I118 VanDerWaalsContact CD1-CG1 3.45Å; F45-I118 HydrophobicContact CD1-CG2 3.64Å; F45-I118 HydrophobicContact CE1-CB 4.1Å; F45-I118 HydrophobicContact CE1-CD1 4.47Å; F45-I118 HydrophobicContact CE1-CG1 3.57Å; F45-I118 HydrophobicContact CE1-CG2 4.23Å; F45-I118 HydrophobicContact CG-CG1 4.4Å; R114-I118 HydrophobicContact CG-CD1 4.14Å; R114-I118 VanDerWaalsContact O-CG1 3.31Å; R114-I118 WeakPolarHBondContact O-CG1 3.43Å; R114-I118 PolarHBondContact O-N 3.45Å; L115-I118 PolarHBondContact O-N 3.15Å; I118-Y120 VanDerWaalsContact C-N 3.28Å; I118-Y120 PolarHBondContact O-N 3.06Å; I118-F121 PolarHBondContact O-N 3.09Å; I118-F121 VanDerWaalsContact O-N 3.12Å; I118-E122 HydrophobicContact CG2-CG 4.36Å; I118-E122 WeakPolarHBondContact O-CG 3.44Å; I118-E122 PolarHBondContact O-N 3.33Å
119	A	90.7	Very high	84.5	Confident	51 Å²	51	73 Å²	73	42%	0.421	37%	0.374	S	S	.	.	H	α-helix	trans	-60.2	-37.3	179.1	0	0	0	0	0	112.4	L115 K116 E122 F123	L115-A119 WeakPolarHBondContact O-CB 3.39Å; L115-A119 PolarHBondContact O-N 2.89Å; K116-A119 PolarHBondContact O-N 2.62Å; A119-E122 PolarHBondContact O-N 3.35Å; A119-F123 VanDerWaalsContact O-CB 3.29Å; A119-F123 WeakPolarHBondContact O-CB 3.29Å; A119-F123 PolarHBondContact O-N 3.2Å
120	Y	92.8	Very high	84.4	Confident	19 Å²	19	77.8 Å²	77.8	8%	0.075	40%	0.397	C	S	.	.	H	α-helix	trans	-60.4	-47.3	173.9	170.9	-96.5	0	0	0	112	K116 W117 I118 F123 T124 Q146 L147 L150	K116-Y120 WeakPolarHBondContact O-CB 3.34Å; K116-Y120 PolarHBondContact O-N 3.48Å; W117-Y120 WeakPolarHBondContact O-CB 3.45Å; W117-Y120 PolarHBondContact O-N 3.28Å; I118-Y120 VanDerWaalsContact C-N 3.28Å; I118-Y120 PolarHBondContact O-N 3.06Å; Y120-F123 PolarHBondContact O-N 2.76Å; Y120-T124 VanDerWaalsContact O-CB 3.26Å; Y120-T124 WeakPolarHBondContact O-CB 3.48Å; Y120-T124 PolarHBondContact O-N 3.29Å; Y120-T124 PolarHBondContact O-OG1 2.98Å; Y120-Q146 HydrophobicContact CE2-CB 4.35Å; Y120-L147 HydrophobicContact CE1-CD1 3.93Å; Y120-L147 HydrophobicContact CE2-CB 4.39Å; Y120-L150 HydrophobicContact CD1-CD1 4.16Å; Y120-L150 HydrophobicContact CD2-CD1 3.74Å; Y120-L150 HydrophobicContact CG-CD1 3.52Å
121	F	90.6	Very high	83.9	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-66.4	-42.3	179	-69.8	-55.9	0	0	0	112.2	F45 W117 I118 T124 F125 L132 W134 V137 L141 V163	F45-F121 HydrophobicContact CE1-CD2 4.22Å; F45-F121 HydrophobicContact CZ-CD2 4.34Å; W117-F121 AromaticContact CE3-CE2 3.71Å; W117-F121 HydrophobicContact CE3-CE2 3.71Å; W117-F121 AromaticContact CE3-CZ 3.72Å; W117-F121 HydrophobicContact CE3-CZ 3.72Å; W117-F121 HydrophobicContact CZ3-CE2 4.38Å; W117-F121 AromaticContact CZ3-CZ 3.93Å; W117-F121 HydrophobicContact CZ3-CZ 3.93Å; W117-F121 WeakPolarHBondContact O-CD2 3.35Å; W117-F121 PolarHBondContact O-N 3.03Å; W117-F121 VanDerWaalsContact O-N 3.1Å; I118-F121 PolarHBondContact O-N 3.09Å; I118-F121 VanDerWaalsContact O-N 3.12Å; F121-T124 PolarHBondContact O-N 2.98Å; F121-F125 HydrophobicContact CD1-CD2 4Å; F121-F125 AromaticContact CD1-CE2 3.9Å; F121-F125 HydrophobicContact CD1-CE2 3.9Å; F121-F125 HydrophobicContact CE1-CE2 4.42Å; F121-F125 PolarHBondContact O-N 3.16Å; F121-L132 VanDerWaalsContact C-CD2 3.5Å; F121-L132 HydrophobicContact CB-CD2 3.51Å; F121-W134 HydrophobicContact CD2-CH2 4.45Å; F121-W134 HydrophobicContact CE2-CH2 4Å; F121-W134 HydrophobicContact CE2-CZ3 4.39Å; F121-W134 HydrophobicContact CZ-CH2 4.31Å; F121-W134 HydrophobicContact CZ-CZ3 4.35Å; F121-V137 HydrophobicContact CD1-CG1 4.28Å; F121-V137 HydrophobicContact CE1-CG1 4.44Å; F121-L141 HydrophobicContact CE1-CD1 3.8Å; F121-L141 HydrophobicContact CE1-CD2 3.94Å; F121-L141 HydrophobicContact CZ-CD1 4.16Å; F121-V163 HydrophobicContact CE2-CG2 3.95Å; F121-V163 HydrophobicContact CZ-CG2 3.69Å
122	E	87.2	Confident	83.5	Confident	83 Å²	83	76.9 Å²	76.9	39%	0.388	39%	0.386	S	S	.	.	H	α-helix	trans	-59.8	-48.3	175.9	-72.6	177.9	167.1	0	0	111.3	I118 A119 T124 N126 L132	I118-E122 HydrophobicContact CG2-CG 4.36Å; I118-E122 WeakPolarHBondContact O-CG 3.44Å; I118-E122 PolarHBondContact O-N 3.33Å; A119-E122 PolarHBondContact O-N 3.35Å; E122-T124 VanDerWaalsContact C-N 3.35Å; E122-T124 PolarHBondContact O-N 2.67Å; E122-N126 WeakPolarHBondContact O-CA 3.5Å; E122-N126 WeakPolarHBondContact O-CB 3Å; E122-N126 PolarHBondContact O-N 3.45Å; E122-L132 HydrophobicContact CG-CD2 4.43Å
123	F	86.6	Confident	83	Confident	179 Å²	179	71 Å²	71	79%	0.785	36%	0.363	S	S	*	.	H	α-helix	trans	-67.7	-33.7	-179.5	-171.8	-95.4	0	0	0	113.2	A119 Y120	A119-F123 VanDerWaalsContact O-CB 3.29Å; A119-F123 WeakPolarHBondContact O-CB 3.29Å; A119-F123 PolarHBondContact O-N 3.2Å; Y120-F123 PolarHBondContact O-N 2.76Å
124	T	85.8	Confident	82.5	Confident	52 Å²	52	71.6 Å²	71.6	32%	0.319	36%	0.364	S	S	.	.	H	α-helix	trans	-84.2	-40.3	-174.5	-52.3	0	0	0	0	112.6	Y120 F121 E122	Y120-T124 VanDerWaalsContact O-CB 3.26Å; Y120-T124 WeakPolarHBondContact O-CB 3.48Å; Y120-T124 PolarHBondContact O-N 3.29Å; Y120-T124 PolarHBondContact O-OG1 2.98Å; F121-T124 PolarHBondContact O-N 2.98Å; E122-T124 VanDerWaalsContact C-N 3.35Å; E122-T124 PolarHBondContact O-N 2.67Å
125	F	82.2	Confident	81.8	Confident	20 Å²	20	78.3 Å²	78.3	9%	0.088	40%	0.397	C	S	.	.	H	α-helix	trans	-116.8	-18.7	-169.3	-58.7	-70.9	0	0	0	114.3	F121 K127 L132 V137 E138 L141	F121-F125 HydrophobicContact CD1-CD2 4Å; F121-F125 AromaticContact CD1-CE2 3.9Å; F121-F125 HydrophobicContact CD1-CE2 3.9Å; F121-F125 HydrophobicContact CE1-CE2 4.42Å; F121-F125 PolarHBondContact O-N 3.16Å; F125-K127 PolarHBondContact O-N 3.26Å; F125-L132 HydrophobicContact CB-CD1 4.12Å; F125-V137 HydrophobicContact CD2-CG1 4Å; F125-V137 HydrophobicContact CD2-CG2 4.4Å; F125-V137 HydrophobicContact CE2-CG1 4.01Å; F125-V137 HydrophobicContact CG-CG1 4.47Å; F125-V137 HydrophobicContact CZ-CG1 4.49Å; F125-E138 HydrophobicContact CD1-CB 4.41Å; F125-E138 HydrophobicContact CD1-CG 3.93Å; F125-E138 HydrophobicContact CE1-CB 3.83Å; F125-E138 HydrophobicContact CE1-CG 3.62Å; F125-E138 HydrophobicContact CZ-CB 4.45Å; F125-L141 HydrophobicContact CE2-CD2 3.55Å; F125-L141 HydrophobicContact CZ-CD2 3.46Å; F125-L141 VanDerWaalsContact CZ-CD2 3.46Å
126	N	76.1	Confident	81.2	Confident	50 Å²	50	76.8 Å²	76.8	27%	0.267	39%	0.386	S	S	.	.			trans	-83.7	87.4	-177.6	-153.3	16.9	0	0	0	111.3	E122 V128 E130 L132	E122-N126 WeakPolarHBondContact O-CA 3.5Å; E122-N126 WeakPolarHBondContact O-CB 3Å; E122-N126 PolarHBondContact O-N 3.45Å; N126-V128 VanDerWaalsContact C-N 3.32Å; N126-V128 PolarHBondContact ND2-O 2.86Å; N126-V128 PolarHBondContact OD1-O 2.83Å; N126-E130 PolarHBondContact ND2-O 3.02Å; N126-E130 PolarHBondContact OD1-O 2.95Å; N126-L132 HydrophobicContact CB-CD1 4.22Å
127	K	68.9	Low	80.7	Confident	193 Å²	193	72 Å²	72	84%	0.839	37%	0.366	S	S	*	.			trans	-81.7	-8.8	176.8	-64.1	-179	-178.9	174.3	0	113.7	F125	F125-K127 PolarHBondContact O-N 3.26Å
128	V	66.5	Low	80.1	Confident	90 Å²	90	76.3 Å²	76.3	55%	0.545	39%	0.386	S	S	.	.	S	Bend	trans	-128	153.8	-173.8	-171.8	0	0	0	0	109.5	N126 E130	N126-V128 VanDerWaalsContact C-N 3.32Å; N126-V128 PolarHBondContact ND2-O 2.86Å; N126-V128 PolarHBondContact OD1-O 2.83Å; V128-E130 HydrophobicContact CG1-CG 4.21Å; V128-E130 PolarHBondContact O-N 3.09Å
129	V	62.7	Low	79.8	Confident	157 Å²	157	76 Å²	76	95%	0.952	39%	0.385	S	S	*	.	S	Bend	trans	-76	46	178.4	-163.4	0	0	0	0	111.8
130	E	68.8	Low	79.6	Confident	117 Å²	117	75.4 Å²	75.4	55%	0.547	37%	0.373	S	S	.	.	S	Bend	trans	-120.6	161.1	175.7	-73.3	-178.7	-175.9	0	0	110.1	N126 V128 L132 K136	N126-E130 PolarHBondContact ND2-O 3.02Å; N126-E130 PolarHBondContact OD1-O 2.95Å; V128-E130 HydrophobicContact CG1-CG 4.21Å; V128-E130 PolarHBondContact O-N 3.09Å; E130-L132 PolarHBondContact O-N 2.79Å; E130-K136 VanDerWaalsContact CB-NZ 3.32Å; E130-K136 IonicContact OE2-NZ 2.78Å; E130-K136 PolarHBondContact OE2-NZ 2.78Å
131	D	72.6	Confident	79.3	Confident	142 Å²	142	74.5 Å²	74.5	76%	0.759	37%	0.37	S	S	*	.			trans	-59.4	131.9	171.5	-67.8	-27.3	0	0	0	109.7	T133 K136	D131-T133 PolarHBondContact O-N 2.84Å; D131-K136 PolarHBondContact O-NZ 3.2Å; D131-K136 VanDerWaalsContact O-NZ 3.14Å
132	L	74.9	Confident	79	Confident	6 Å²	6	76.9 Å²	76.9	3%	0.031	39%	0.385	C	S	.	.			trans	-69	127.3	179	-179.7	68.1	0	0	0	108.9	F43 F121 E122 F125 N126 E130 K136 V137	F43-L132 WeakPolarHBondContact CD1-O 3.45Å; F43-L132 WeakPolarHBondContact CE1-O 3.43Å; F121-L132 VanDerWaalsContact C-CD2 3.5Å; F121-L132 HydrophobicContact CB-CD2 3.51Å; E122-L132 HydrophobicContact CG-CD2 4.43Å; F125-L132 HydrophobicContact CB-CD1 4.12Å; N126-L132 HydrophobicContact CB-CD1 4.22Å; E130-L132 PolarHBondContact O-N 2.79Å; L132-K136 HydrophobicContact CD1-CB 4Å; L132-V137 HydrophobicContact CD1-CG2 4.12Å; L132-V137 HydrophobicContact CD2-CG2 4.03Å; L132-V137 HydrophobicContact CG-CG2 4.15Å
133	T	79.9	Confident	79	Confident	33 Å²	33	77.5 Å²	77.5	20%	0.202	39%	0.386	C	S	.	.			trans	-109.5	157.9	172.4	71.1	0	0	0	0	113.1	F43 D131 E135 K136 V137	F43-T133 HydrophobicContact CD2-CG2 3.7Å; F43-T133 HydrophobicContact CE2-CG2 3.51Å; F43-T133 VanDerWaalsContact CZ-C 3.49Å; F43-T133 HydrophobicContact CZ-CG2 4.32Å; D131-T133 PolarHBondContact O-N 2.84Å; T133-E135 PolarHBondContact O-N 3.48Å; T133-K136 WeakPolarHBondContact O-CA 3.1Å; T133-K136 WeakPolarHBondContact O-CB 3.14Å; T133-K136 PolarHBondContact O-N 3.08Å; T133-K136 WeakPolarHBondContact OG1-CG 3.46Å; T133-V137 PolarHBondContact O-N 3.23Å
134	W	82.6	Confident	79.1	Confident	33 Å²	33	71 Å²	71	13%	0.125	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.3	177.8	-77.9	122.7	0	0	0	111.2	F43 F45 F121 K136 V137 L159 Y162 V163 R166	F43-W134 HydrophobicContact CZ-CB 4.25Å; F43-W134 AromaticContact CZ-CD1 3.66Å; F43-W134 AromaticContact CZ-CG 4Å; F43-W134 HydrophobicContact CZ-CG 4Å; F45-W134 AromaticContact CE2-CE2 3.75Å; F45-W134 HydrophobicContact CE2-CH2 4.45Å; F45-W134 AromaticContact CE2-CZ2 3.64Å; F45-W134 HydrophobicContact CE2-CZ2 3.64Å; F45-W134 AromaticContact CE2-NE1 3.86Å; F45-W134 AromaticContact CZ-CH2 3.98Å; F45-W134 HydrophobicContact CZ-CH2 3.98Å; F45-W134 AromaticContact CZ-CZ2 3.59Å; F45-W134 HydrophobicContact CZ-CZ2 3.59Å; F121-W134 HydrophobicContact CD2-CH2 4.45Å; F121-W134 HydrophobicContact CE2-CH2 4Å; F121-W134 HydrophobicContact CE2-CZ3 4.39Å; F121-W134 HydrophobicContact CZ-CH2 4.31Å; F121-W134 HydrophobicContact CZ-CZ3 4.35Å; W134-K136 VanDerWaalsContact C-N 3.29Å; W134-V137 HydrophobicContact CE3-CB 4.12Å; W134-V137 HydrophobicContact CE3-CG1 4.35Å; W134-V137 HydrophobicContact CE3-CG2 4.05Å; W134-V137 HydrophobicContact CZ3-CG1 4.37Å; W134-V137 HydrophobicContact CZ3-CG2 4.41Å; W134-V137 PolarHBondContact O-N 3.34Å; W134-L159 HydrophobicContact CZ2-CD2 4.12Å; W134-Y162 AromaticContact CD1-CD1 3.58Å; W134-Y162 AromaticContact CD1-CE1 3.75Å; W134-Y162 AromaticContact CD1-CG 3.95Å; W134-Y162 HydrophobicContact CD2-CD1 4.01Å; W134-Y162 AromaticContact CD2-CG 3.87Å; W134-Y162 HydrophobicContact CD2-CG 3.87Å; W134-Y162 AromaticContact CE2-CD1 3.73Å; W134-Y162 AromaticContact CE2-CD2 3.62Å; W134-Y162 AromaticContact CE2-CG 3.26Å; W134-Y162 AromaticContact CG-CD1 3.97Å; W134-Y162 HydrophobicContact CG-CD1 3.97Å; W134-Y162 HydrophobicContact CG-CE1 4.5Å; W134-Y162 HydrophobicContact CG-CG 4.3Å; W134-Y162 HydrophobicContact CH2-CG 4.2Å; W134-Y162 HydrophobicContact CZ2-CD1 4.38Å; W134-Y162 AromaticContact CZ2-CD2 3.58Å; W134-Y162 HydrophobicContact CZ2-CD2 3.58Å; W134-Y162 AromaticContact CZ2-CG 3.47Å; W134-Y162 HydrophobicContact CZ2-CG 3.47Å; W134-Y162 VanDerWaalsContact CZ2-CG 3.47Å; W134-Y162 AromaticContact NE1-CD1 3.41Å; W134-Y162 AromaticContact NE1-CD2 3.47Å; W134-Y162 AromaticContact NE1-CE1 3.69Å; W134-Y162 AromaticContact NE1-CE2 3.75Å; W134-Y162 AromaticContact NE1-CG 3.29Å; W134-Y162 VanDerWaalsContact NE1-CG 3.29Å; W134-Y162 AromaticContact NE1-CZ 3.86Å; W134-V163 HydrophobicContact CH2-CG2 3.97Å; W134-R166 PolarHBondContact O-NH2 3.23Å
135	E	77.3	Confident	79.4	Confident	186 Å²	186	77.9 Å²	77.9	87%	0.869	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-28.3	172	-60.5	176.6	169.9	0	0	112.1	T133	T133-E135 PolarHBondContact O-N 3.48Å
136	K	78.6	Confident	80	Confident	76 Å²	76	82.8 Å²	82.8	33%	0.33	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-19.7	175.2	-64.9	174.7	-178.9	176.8	0	112.9	E130 D131 L132 T133 W134	E130-K136 VanDerWaalsContact CB-NZ 3.32Å; E130-K136 IonicContact OE2-NZ 2.78Å; E130-K136 PolarHBondContact OE2-NZ 2.78Å; D131-K136 PolarHBondContact O-NZ 3.2Å; D131-K136 VanDerWaalsContact O-NZ 3.14Å; L132-K136 HydrophobicContact CD1-CB 4Å; T133-K136 WeakPolarHBondContact O-CA 3.1Å; T133-K136 WeakPolarHBondContact O-CB 3.14Å; T133-K136 PolarHBondContact O-N 3.08Å; T133-K136 WeakPolarHBondContact OG1-CG 3.46Å; W134-K136 VanDerWaalsContact C-N 3.29Å
137	V	84	Confident	80.9	Confident	6 Å²	6	80.4 Å²	80.4	4%	0.036	40%	0.399	C	S	.	.	S	Bend	trans	-79.3	128.5	174.1	-179.4	0	0	0	0	109.2	F121 F125 L132 T133 W134 L141	F121-V137 HydrophobicContact CD1-CG1 4.28Å; F121-V137 HydrophobicContact CE1-CG1 4.44Å; F125-V137 HydrophobicContact CD2-CG1 4Å; F125-V137 HydrophobicContact CD2-CG2 4.4Å; F125-V137 HydrophobicContact CE2-CG1 4.01Å; F125-V137 HydrophobicContact CG-CG1 4.47Å; F125-V137 HydrophobicContact CZ-CG1 4.49Å; L132-V137 HydrophobicContact CD1-CG2 4.12Å; L132-V137 HydrophobicContact CD2-CG2 4.03Å; L132-V137 HydrophobicContact CG-CG2 4.15Å; T133-V137 PolarHBondContact O-N 3.23Å; W134-V137 HydrophobicContact CE3-CB 4.12Å; W134-V137 HydrophobicContact CE3-CG1 4.35Å; W134-V137 HydrophobicContact CE3-CG2 4.05Å; W134-V137 HydrophobicContact CZ3-CG1 4.37Å; W134-V137 HydrophobicContact CZ3-CG2 4.41Å; W134-V137 PolarHBondContact O-N 3.34Å; V137-L141 HydrophobicContact CG1-CD2 4.17Å
138	E	83.4	Confident	82.1	Confident	90 Å²	90	73.3 Å²	73.3	42%	0.421	37%	0.374	S	S	.	.			trans	-51.2	149.7	178.9	-69.2	179.2	179.4	0	0	112.5	F125 F140 R166	F125-E138 HydrophobicContact CD1-CB 4.41Å; F125-E138 HydrophobicContact CD1-CG 3.93Å; F125-E138 HydrophobicContact CE1-CB 3.83Å; F125-E138 HydrophobicContact CE1-CG 3.62Å; F125-E138 HydrophobicContact CZ-CB 4.45Å; E138-F140 PolarHBondContact O-N 2.91Å; E138-R166 WeakPolarHBondContact O-CD 3.47Å; E138-R166 PolarHBondContact O-NE 3.04Å
139	S	83.7	Confident	83.5	Confident	12 Å²	12	73.9 Å²	73.9	8%	0.084	37%	0.371	C	S	.	.	S	Bend	trans	-72.9	-6.4	-179.1	57.7	0	0	0	0	113.5	M171 C172 Q175	S139-M171 WeakPolarHBondContact O-CB 3.48Å; S139-C172 PolarHBondContact O-N 3.37Å; S139-Q175 PolarHBondContact OG-OE1 3.04Å
140	F	85.9	Confident	85.2	Confident	39 Å²	39	67.1 Å²	67.1	17%	0.171	33%	0.33	C	S	.	.	S	Bend	trans	-141.5	139.7	172.6	177.9	-109.8	0	0	0	109.5	E138 R166 L167 C172 I458	E138-F140 PolarHBondContact O-N 2.91Å; F140-R166 WeakPolarHBondContact CA-O 3.37Å; F140-R166 WeakPolarHBondContact CD2-O 3.32Å; F140-L167 WeakPolarHBondContact CE2-O 3.43Å; F140-C172 HydrophobicContact CB-CB 4.47Å; F140-I458 HydrophobicContact CE1-CG1 3.99Å; F140-I458 HydrophobicContact CZ-CD1 4.02Å; F140-I458 HydrophobicContact CZ-CG1 3.76Å
141	L	87.9	Confident	86.5	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	30%	0.304	C	S	.	.			trans	-98.7	112.1	176.7	-63.8	176.5	0	0	0	109.8	F121 F125 V137 L147 R166 L167	F121-L141 HydrophobicContact CE1-CD1 3.8Å; F121-L141 HydrophobicContact CE1-CD2 3.94Å; F121-L141 HydrophobicContact CZ-CD1 4.16Å; F125-L141 HydrophobicContact CE2-CD2 3.55Å; F125-L141 HydrophobicContact CZ-CD2 3.46Å; F125-L141 VanDerWaalsContact CZ-CD2 3.46Å; V137-L141 HydrophobicContact CG1-CD2 4.17Å; L141-L147 HydrophobicContact CB-CD2 3.76Å; L141-L147 HydrophobicContact CD1-CD1 4.5Å; L141-R166 HydrophobicContact CD1-CB 4.18Å; L141-R166 HydrophobicContact CG-CB 3.82Å; L141-R166 PolarHBondContact N-O 3.03Å; L141-R166 VanDerWaalsContact N-O 3.08Å; L141-L167 HydrophobicContact CB-CD2 4.42Å; L141-L167 HydrophobicContact CD1-CD2 3.96Å
142	P	83.3	Confident	87.7	Confident	50 Å²	50	56.9 Å²	56.9	33%	0.325	28%	0.275	S	S	.	.			trans	-64.2	144.6	-179.7	26	-33.5	0	0	0	111.4	S144 L147	P142-S144 PolarHBondContact O-N 2.72Å; P142-L147 WeakPolarHBondContact O-CD2 3.19Å
143	K	87	Confident	88.7	Confident	95 Å²	95	59.2 Å²	59.2	41%	0.413	29%	0.286	S	S	.	.			trans	-65.9	124	-179.9	-65.4	-168.8	175.2	-171.2	0	110.1	Y343 I458	K143-Y343 HydrophobicContact CB-CE2 4.36Å; K143-Y343 WeakPolarHBondContact CE-O 3.35Å; K143-Y343 HydrophobicContact CG-CE2 3.85Å; K143-Y343 PolarHBondContact NZ-O 3.26Å; K143-I458 HydrophobicContact CD-CG2 4Å; K143-I458 HydrophobicContact CG-CG2 4.3Å
144	S	89.2	Confident	89.4	Confident	44 Å²	44	57.8 Å²	57.8	31%	0.308	28%	0.278	S	S	.	.			trans	-136.6	158.8	173.4	73.8	0	0	0	0	110.2	P142 Q146 L147 S148 Y343	P142-S144 PolarHBondContact O-N 2.72Å; S144-Q146 PolarHBondContact O-N 3.36Å; S144-L147 PolarHBondContact O-N 3.19Å; S144-L147 VanDerWaalsContact OG-CB 3.27Å; S144-L147 WeakPolarHBondContact OG-CB 3.47Å; S144-L147 PolarHBondContact OG-N 3.3Å; S144-S148 WeakPolarHBondContact O-CB 3.4Å; S144-S148 PolarHBondContact O-N 3.35Å; S144-Y343 PolarHBondContact O-OH 2.69Å
145	K	92.1	Very high	90.1	Very high	196 Å²	196	56.3 Å²	56.3	85%	0.852	27%	0.272	S	S	*	.	H	α-helix	trans	-58.4	-39.7	175.1	-69.7	-174.8	178.5	-179.3	0	111.7	S148 E149	K145-S148 PolarHBondContact O-N 3.45Å; K145-E149 WeakPolarHBondContact O-CB 3.04Å; K145-E149 PolarHBondContact O-N 3.31Å
146	Q	93.5	Very high	90.9	Very high	122 Å²	122	47.8 Å²	47.8	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-65.2	-45.3	178.2	-69.5	178	-12.5	0	0	111.7	Y120 S144 E149 L150	Y120-Q146 HydrophobicContact CE2-CB 4.35Å; S144-Q146 PolarHBondContact O-N 3.36Å; Q146-E149 PolarHBondContact O-N 2.93Å; Q146-L150 WeakPolarHBondContact O-CG 3.23Å; Q146-L150 PolarHBondContact O-N 3.29Å
147	L	95.1	Very high	91.4	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-41.8	177.2	-177	59.2	0	0	0	111.5	W117 Y120 L141 P142 S144 E149 L150 V151 L167 Y343	W117-L147 HydrophobicContact CH2-CD1 3.75Å; W117-L147 HydrophobicContact CZ3-CD1 3.69Å; Y120-L147 HydrophobicContact CE1-CD1 3.93Å; Y120-L147 HydrophobicContact CE2-CB 4.39Å; L141-L147 HydrophobicContact CB-CD2 3.76Å; L141-L147 HydrophobicContact CD1-CD1 4.5Å; P142-L147 WeakPolarHBondContact O-CD2 3.19Å; S144-L147 PolarHBondContact O-N 3.19Å; S144-L147 VanDerWaalsContact OG-CB 3.27Å; S144-L147 WeakPolarHBondContact OG-CB 3.47Å; S144-L147 PolarHBondContact OG-N 3.3Å; L147-E149 VanDerWaalsContact C-N 3.28Å; L147-E149 PolarHBondContact O-N 3.03Å; L147-L150 PolarHBondContact O-N 3.15Å; L147-V151 HydrophobicContact CD1-CG2 4.26Å; L147-V151 HydrophobicContact CG-CG2 4.41Å; L147-V151 VanDerWaalsContact O-CG2 3.31Å; L147-V151 WeakPolarHBondContact O-CG2 3.48Å; L147-V151 PolarHBondContact O-N 3.06Å; L147-L167 HydrophobicContact CD1-CD2 4.15Å; L147-L167 HydrophobicContact CD2-CD2 4.05Å; L147-L167 HydrophobicContact CG-CD2 4.32Å; L147-Y343 HydrophobicContact CD2-CD2 4.42Å; L147-Y343 HydrophobicContact CD2-CE2 3.82Å; L147-Y343 HydrophobicContact CG-CE2 3.96Å
148	S	95.2	Very high	91.6	Very high	45 Å²	45	47.8 Å²	47.8	32%	0.315	24%	0.238	S	C	.	.	H	α-helix	trans	-57.3	-42.8	175.9	-170.3	0	0	0	0	111.8	S144 K145 R152 Y343	S144-S148 WeakPolarHBondContact O-CB 3.4Å; S144-S148 PolarHBondContact O-N 3.35Å; K145-S148 PolarHBondContact O-N 3.45Å; S148-R152 WeakPolarHBondContact O-CB 3.45Å; S148-R152 PolarHBondContact O-N 2.76Å; S148-Y343 WeakPolarHBondContact CB-OH 2.8Å
149	E	96.2	Very high	92	Very high	101 Å²	101	43.8 Å²	43.8	47%	0.472	22%	0.22	S	C	.	.	H	α-helix	trans	-67.6	-41.6	178.2	-178.6	55.3	-144.6	0	0	111.9	K145 Q146 L147 R152 Q153	K145-E149 WeakPolarHBondContact O-CB 3.04Å; K145-E149 PolarHBondContact O-N 3.31Å; Q146-E149 PolarHBondContact O-N 2.93Å; L147-E149 VanDerWaalsContact C-N 3.28Å; L147-E149 PolarHBondContact O-N 3.03Å; E149-R152 PolarHBondContact O-N 3.21Å; E149-Q153 WeakPolarHBondContact O-CG 2.9Å; E149-Q153 PolarHBondContact O-N 3.19Å; E149-Q153 PolarHBondContact OE1-NE2 3.04Å
150	L	97.3	Very high	92.6	Very high	16 Å²	16	43.4 Å²	43.4	8%	0.084	22%	0.217	C	C	.	.	H	α-helix	trans	-63.8	-42.5	175	-74.5	171.9	0	0	0	112.4	K116 W117 Y120 Q146 L147 R152 Q153 G154	K116-L150 HydrophobicContact CB-CD2 3.91Å; W117-L150 HydrophobicContact CD2-CB 4.33Å; W117-L150 HydrophobicContact CD2-CD1 4.49Å; W117-L150 HydrophobicContact CE3-CD1 4.47Å; W117-L150 HydrophobicContact CH2-CB 4.09Å; W117-L150 HydrophobicContact CZ2-CB 3.69Å; Y120-L150 HydrophobicContact CD1-CD1 4.16Å; Y120-L150 HydrophobicContact CD2-CD1 3.74Å; Y120-L150 HydrophobicContact CG-CD1 3.52Å; Q146-L150 WeakPolarHBondContact O-CG 3.23Å; Q146-L150 PolarHBondContact O-N 3.29Å; L147-L150 PolarHBondContact O-N 3.15Å; L150-R152 VanDerWaalsContact C-N 3.35Å; L150-Q153 PolarHBondContact O-N 2.99Å; L150-G154 PolarHBondContact O-N 2.9Å
151	V	97.4	Very high	93	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-42.3	175.1	171.7	0	0	0	0	110.8	W117 L147 Q153 G154 L167 D339 M340 Y343	W117-V151 HydrophobicContact CH2-CG2 3.79Å; W117-V151 HydrophobicContact CZ2-CG2 4.14Å; L147-V151 HydrophobicContact CD1-CG2 4.26Å; L147-V151 HydrophobicContact CG-CG2 4.41Å; L147-V151 VanDerWaalsContact O-CG2 3.31Å; L147-V151 WeakPolarHBondContact O-CG2 3.48Å; L147-V151 PolarHBondContact O-N 3.06Å; V151-Q153 VanDerWaalsContact C-N 3.31Å; V151-Q153 PolarHBondContact O-N 2.98Å; V151-G154 WeakPolarHBondContact O-CA 3.15Å; V151-G154 PolarHBondContact O-N 2.64Å; V151-L167 HydrophobicContact CG2-CD1 4.08Å; V151-L167 HydrophobicContact CG2-CD2 4.12Å; V151-D339 HydrophobicContact CG1-CB 4.42Å; V151-D339 VanDerWaalsContact CG1-O 3.27Å; V151-D339 WeakPolarHBondContact CG1-O 3.49Å; V151-M340 HydrophobicContact CG1-CG 4.24Å; V151-Y343 HydrophobicContact CB-CD1 4.31Å; V151-Y343 HydrophobicContact CB-CG 4.42Å; V151-Y343 HydrophobicContact CG1-CD1 4.13Å; V151-Y343 HydrophobicContact CG1-CG 4.17Å; V151-Y343 HydrophobicContact CG2-CD1 4.4Å; V151-Y343 HydrophobicContact CG2-CD2 4.32Å; V151-Y343 HydrophobicContact CG2-CG 4.07Å
152	R	96.6	Very high	93.3	Very high	42 Å²	42	47.1 Å²	47.1	16%	0.158	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-35.9	176.3	177.4	58.4	-175.7	77.4	3.3	112.6	S148 E149 L150 G154 R336 E388 L391 D395	S148-R152 WeakPolarHBondContact O-CB 3.45Å; S148-R152 PolarHBondContact O-N 2.76Å; E149-R152 PolarHBondContact O-N 3.21Å; L150-R152 VanDerWaalsContact C-N 3.35Å; R152-G154 VanDerWaalsContact C-N 3.28Å; R152-R336 PolarHBondContact O-NH2 2.95Å; R152-E388 IonicContact CZ-OE2 3.73Å; R152-E388 IonicContact NH1-OE1 3.63Å; R152-E388 IonicContact NH1-OE2 3.39Å; R152-E388 PolarHBondContact NH1-OE2 3.18Å; R152-E388 IonicContact NH2-OE2 2.82Å; R152-L391 VanDerWaalsContact NH2-CB 3.29Å; R152-D395 IonicContact CZ-OD2 3.35Å; R152-D395 VanDerWaalsContact CZ-OD2 3.26Å; R152-D395 IonicContact NE-OD1 3.68Å; R152-D395 PolarHBondContact NE-OD1 3.03Å; R152-D395 IonicContact NE-OD2 2.82Å; R152-D395 PolarHBondContact NE-OD2 3.03Å; R152-D395 IonicContact NH2-OD2 2.68Å; R152-D395 PolarHBondContact NH2-OD2 2.92Å
153	Q	95.6	Very high	93.9	Very high	55 Å²	55	44.7 Å²	44.7	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-71.4	-21.1	172.1	-71.4	174.2	42.2	0	0	112.9	L113 E149 L150 V151 R336	L113-Q153 HydrophobicContact CD1-CB 3.75Å; L113-Q153 WeakPolarHBondContact CD2-O 3.1Å; E149-Q153 WeakPolarHBondContact O-CG 2.9Å; E149-Q153 PolarHBondContact O-N 3.19Å; E149-Q153 PolarHBondContact OE1-NE2 3.04Å; L150-Q153 PolarHBondContact O-N 2.99Å; V151-Q153 VanDerWaalsContact C-N 3.31Å; V151-Q153 PolarHBondContact O-N 2.98Å; Q153-R336 VanDerWaalsContact O-CZ 3.32Å; Q153-R336 PolarHBondContact O-NH2 3.28Å
154	G	96.2	Very high	94.4	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.021	20%	0.198	C	C	.	.			trans	109.8	152.8	176	0	0	0	0	0	113.5	L113 W117 L150 V151 R152	L113-G154 WeakPolarHBondContact CD2-O 3.41Å; W117-G154 PolarHBondContact NE1-O 2.63Å; L150-G154 PolarHBondContact O-N 2.9Å; V151-G154 WeakPolarHBondContact O-CA 3.15Å; V151-G154 PolarHBondContact O-N 2.64Å; R152-G154 VanDerWaalsContact C-N 3.28Å
155	V	95.8	Very high	94.7	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.018	19%	0.187	C	C	.	.			trans	-93.9	126.1	174.5	-174.9	0	0	0	0	109	W117 L159 R160 V163 L167 D339	W117-V155 HydrophobicContact CH2-CG2 4.07Å; W117-V155 HydrophobicContact CZ2-CB 4.43Å; W117-V155 HydrophobicContact CZ2-CG2 3.65Å; V155-L159 HydrophobicContact CG1-CB 4.1Å; V155-R160 HydrophobicContact CB-CG 4.04Å; V155-R160 HydrophobicContact CG1-CG 3.75Å; V155-R160 PolarHBondContact O-NH1 2.68Å; V155-R160 VanDerWaalsContact O-NH1 3.13Å; V155-R160 PolarHBondContact O-NH2 2.9Å; V155-V163 HydrophobicContact CG1-CB 4Å; V155-V163 HydrophobicContact CG1-CG1 4.03Å; V155-V163 HydrophobicContact CG1-CG2 4.31Å; V155-V163 HydrophobicContact CG2-CG1 4.15Å; V155-L167 HydrophobicContact CG2-CD1 4.49Å; V155-D339 WeakPolarHBondContact CB-OD1 3.32Å; V155-D339 HydrophobicContact CG2-CB 3.93Å; V155-D339 PolarHBondContact N-OD2 3.3Å
156	P	94.1	Very high	94.8	Very high	7 Å²	7	29.9 Å²	29.9	5%	0.045	15%	0.148	C	C	.	.			trans	-57.1	141.9	173.2	-21.9	29.4	0	0	0	112.2	E109 L113 R114 W117 S158 L159 R160	E109-P156 HydrophobicContact CG-CB 3.78Å; E109-P156 VanDerWaalsContact OE1-C 3.29Å; E109-P156 WeakPolarHBondContact OE1-CA 3.4Å; E109-P156 WeakPolarHBondContact OE1-CB 3.21Å; L113-P156 HydrophobicContact CG-CG 4.43Å; R114-P156 HydrophobicContact CB-CB 4.19Å; R114-P156 HydrophobicContact CB-CG 3.93Å; R114-P156 HydrophobicContact CG-CB 4.45Å; R114-P156 HydrophobicContact CG-CG 4.43Å; W117-P156 HydrophobicContact CG-CG 4.38Å; P156-S158 VanDerWaalsContact C-N 3.26Å; P156-S158 PolarHBondContact O-N 3.37Å; P156-L159 HydrophobicContact CB-CB 4.48Å; P156-L159 HydrophobicContact CB-CD1 4.27Å; P156-L159 HydrophobicContact CB-CG 4.2Å; P156-L159 HydrophobicContact CG-CD1 3.91Å; P156-L159 HydrophobicContact CG-CG 4.39Å; P156-L159 PolarHBondContact O-N 3Å; P156-R160 PolarHBondContact O-N 3.35Å
157	H	89.4	Confident	94.8	Very high	39 Å²	39	24.4 Å²	24.4	18%	0.181	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-41.1	-174.9	-61	-81.7	0	0	0	112.8	A62 F86 E109 L159 R160	A62-H157 HydrophobicContact CB-CB 4.12Å; F86-H157 AromaticContact CE1-CE1 3.6Å; F86-H157 AromaticContact CE1-ND1 3.32Å; F86-H157 VanDerWaalsContact CE1-ND1 3.32Å; F86-H157 WeakPolarHBondContact CE1-ND1 3.49Å; F86-H157 AromaticContact CZ-CE1 3.27Å; F86-H157 WeakPolarHBondContact CZ-CE1 3.16Å; F86-H157 AromaticContact CZ-ND1 3.52Å; E109-H157 PolarHBondContact OE1-N 3.49Å; E109-H157 VanDerWaalsContact OE1-N 3.1Å; H157-L159 PolarHBondContact O-N 3.43Å; H157-R160 PolarHBondContact CE1-NH1 2.96Å; H157-R160 PolarHBondContact ND1-NH1 3.06Å; H157-R160 PolarHBondContact O-N 2.94Å
158	S	87.8	Confident	94.7	Very high	42 Å²	42	24.6 Å²	24.6	29%	0.294	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.5	179.5	63.5	0	0	0	0	113.9	E109 R114 P156	E109-S158 VanDerWaalsContact CD-OG 3.31Å; E109-S158 VanDerWaalsContact OE1-CB 3.32Å; E109-S158 WeakPolarHBondContact OE1-CB 3.24Å; E109-S158 PolarHBondContact OE1-N 3.36Å; E109-S158 PolarHBondContact OE1-OG 3.33Å; E109-S158 PolarHBondContact OE2-OG 3.27Å; R114-S158 PolarHBondContact NH1-OG 3.5Å; R114-S158 VanDerWaalsContact NH1-OG 3.12Å; P156-S158 VanDerWaalsContact C-N 3.26Å; P156-S158 PolarHBondContact O-N 3.37Å
159	L	93.2	Very high	94.4	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.031	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-25.8	-177.9	-61	-173.2	0	0	0	113	F45 W117 W134 V155 P156 H157 P161 Y162 V163	F45-L159 HydrophobicContact CE2-CD2 4.4Å; F45-L159 HydrophobicContact CZ-CD2 4.08Å; W117-L159 HydrophobicContact CB-CD1 3.53Å; W117-L159 HydrophobicContact CG-CD1 4.07Å; W134-L159 HydrophobicContact CZ2-CD2 4.12Å; V155-L159 HydrophobicContact CG1-CB 4.1Å; P156-L159 HydrophobicContact CB-CB 4.48Å; P156-L159 HydrophobicContact CB-CD1 4.27Å; P156-L159 HydrophobicContact CB-CG 4.2Å; P156-L159 HydrophobicContact CG-CD1 3.91Å; P156-L159 HydrophobicContact CG-CG 4.39Å; P156-L159 PolarHBondContact O-N 3Å; H157-L159 PolarHBondContact O-N 3.43Å; L159-P161 VanDerWaalsContact C-CD 3.49Å; L159-Y162 PolarHBondContact O-N 3.19Å; L159-V163 HydrophobicContact CB-CG2 3.91Å; L159-V163 WeakPolarHBondContact O-CB 3.24Å; L159-V163 WeakPolarHBondContact O-CG2 3.4Å; L159-V163 PolarHBondContact O-N 3.38Å
160	R	95.1	Very high	94.1	Very high	5 Å²	5	17.7 Å²	17.7	2%	0.019	9%	0.088	C	C	.	.	H	α-helix	trans	-45.5	-49	179	-73.8	-174.8	171.6	100.3	3.4	115.7	V155 P156 H157 Y162 V163 W164 D339	V155-R160 HydrophobicContact CB-CG 4.04Å; V155-R160 HydrophobicContact CG1-CG 3.75Å; V155-R160 PolarHBondContact O-NH1 2.68Å; V155-R160 VanDerWaalsContact O-NH1 3.13Å; V155-R160 PolarHBondContact O-NH2 2.9Å; P156-R160 PolarHBondContact O-N 3.35Å; H157-R160 PolarHBondContact CE1-NH1 2.96Å; H157-R160 PolarHBondContact ND1-NH1 3.06Å; H157-R160 PolarHBondContact O-N 2.94Å; R160-Y162 PolarHBondContact O-N 3.45Å; R160-V163 PolarHBondContact O-N 2.93Å; R160-W164 HydrophobicContact CB-CD2 3.99Å; R160-W164 HydrophobicContact CB-CE3 4.21Å; R160-W164 HydrophobicContact CB-CG 4.45Å; R160-W164 HydrophobicContact CB-CZ2 4.41Å; R160-W164 HydrophobicContact CB-CZ3 4.47Å; R160-W164 HydrophobicContact CG-CD2 4.19Å; R160-W164 HydrophobicContact CG-CH2 4.46Å; R160-W164 HydrophobicContact CG-CZ2 3.93Å; R160-W164 WeakPolarHBondContact O-CB 3.4Å; R160-W164 PolarHBondContact O-N 3.35Å; R160-D339 IonicContact CZ-OD1 2.7Å; R160-D339 IonicContact CZ-OD2 3.88Å; R160-D339 IonicContact NE-OD1 2.78Å; R160-D339 PolarHBondContact NE-OD1 3.31Å; R160-D339 IonicContact NE-OD2 2.76Å; R160-D339 IonicContact NH2-OD1 3.21Å; R160-D339 IonicContact NH2-OD2 3.34Å; R160-D339 PolarHBondContact NH2-OD2 3.23Å
161	P	94.6	Very high	93.7	Very high	26 Å²	26	19 Å²	19	17%	0.169	9%	0.094	C	C	.	.	H	α-helix	trans	-58.6	-21.4	179.7	18.1	-30.8	0	0	0	114.6	L159 P165 F254 M255	L159-P161 VanDerWaalsContact C-CD 3.49Å; P161-P165 WeakPolarHBondContact O-CD 3.33Å; P161-P165 WeakPolarHBondContact O-CG 3.45Å; P161-F254 WeakPolarHBondContact CB-O 3.31Å; P161-M255 HydrophobicContact CB-CB 4Å
162	Y	94	Very high	93	Very high	91 Å²	91	19.4 Å²	19.4	36%	0.357	10%	0.097	S	C	.	.	H	α-helix	trans	-105.5	-32.8	-178.7	-51.3	-75.4	0	0	0	112.7	W134 L159 R160 R166	W134-Y162 AromaticContact CD1-CD1 3.58Å; W134-Y162 AromaticContact CD1-CE1 3.75Å; W134-Y162 AromaticContact CD1-CG 3.95Å; W134-Y162 HydrophobicContact CD2-CD1 4.01Å; W134-Y162 AromaticContact CD2-CG 3.87Å; W134-Y162 HydrophobicContact CD2-CG 3.87Å; W134-Y162 AromaticContact CE2-CD1 3.73Å; W134-Y162 AromaticContact CE2-CD2 3.62Å; W134-Y162 AromaticContact CE2-CG 3.26Å; W134-Y162 AromaticContact CG-CD1 3.97Å; W134-Y162 HydrophobicContact CG-CD1 3.97Å; W134-Y162 HydrophobicContact CG-CE1 4.5Å; W134-Y162 HydrophobicContact CG-CG 4.3Å; W134-Y162 HydrophobicContact CH2-CG 4.2Å; W134-Y162 HydrophobicContact CZ2-CD1 4.38Å; W134-Y162 AromaticContact CZ2-CD2 3.58Å; W134-Y162 HydrophobicContact CZ2-CD2 3.58Å; W134-Y162 AromaticContact CZ2-CG 3.47Å; W134-Y162 HydrophobicContact CZ2-CG 3.47Å; W134-Y162 VanDerWaalsContact CZ2-CG 3.47Å; W134-Y162 AromaticContact NE1-CD1 3.41Å; W134-Y162 AromaticContact NE1-CD2 3.47Å; W134-Y162 AromaticContact NE1-CE1 3.69Å; W134-Y162 AromaticContact NE1-CE2 3.75Å; W134-Y162 AromaticContact NE1-CG 3.29Å; W134-Y162 VanDerWaalsContact NE1-CG 3.29Å; W134-Y162 AromaticContact NE1-CZ 3.86Å; L159-Y162 PolarHBondContact O-N 3.19Å; R160-Y162 PolarHBondContact O-N 3.45Å; Y162-R166 WeakPolarHBondContact O-CD 3.31Å; Y162-R166 WeakPolarHBondContact O-CG 2.89Å; Y162-R166 PolarHBondContact O-NH1 2.86Å
163	V	95.8	Very high	92.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-81.7	-49.4	-177	174.2	0	0	0	0	111	W117 F121 W134 V155 L159 R160 R166 L167	W117-V163 HydrophobicContact CH2-CG1 4.02Å; W117-V163 HydrophobicContact CZ3-CG1 3.93Å; F121-V163 HydrophobicContact CE2-CG2 3.95Å; F121-V163 HydrophobicContact CZ-CG2 3.69Å; W134-V163 HydrophobicContact CH2-CG2 3.97Å; V155-V163 HydrophobicContact CG1-CB 4Å; V155-V163 HydrophobicContact CG1-CG1 4.03Å; V155-V163 HydrophobicContact CG1-CG2 4.31Å; V155-V163 HydrophobicContact CG2-CG1 4.15Å; L159-V163 HydrophobicContact CB-CG2 3.91Å; L159-V163 WeakPolarHBondContact O-CB 3.24Å; L159-V163 WeakPolarHBondContact O-CG2 3.4Å; L159-V163 PolarHBondContact O-N 3.38Å; R160-V163 PolarHBondContact O-N 2.93Å; V163-R166 PolarHBondContact O-N 3.45Å; V163-L167 HydrophobicContact CG1-CD1 3.63Å; V163-L167 HydrophobicContact CG1-CD2 4.32Å; V163-L167 HydrophobicContact CG1-CG 3.74Å; V163-L167 WeakPolarHBondContact O-CG 3.43Å; V163-L167 PolarHBondContact O-N 2.79Å
164	W	97.7	Very high	91.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-55.5	-48	-177.7	-72.8	-13.1	0	0	0	113.3	R160 R166 L167 C168 L251 F254 M255 M263 L335 W338 D339 F342	R160-W164 HydrophobicContact CB-CD2 3.99Å; R160-W164 HydrophobicContact CB-CE3 4.21Å; R160-W164 HydrophobicContact CB-CG 4.45Å; R160-W164 HydrophobicContact CB-CZ2 4.41Å; R160-W164 HydrophobicContact CB-CZ3 4.47Å; R160-W164 HydrophobicContact CG-CD2 4.19Å; R160-W164 HydrophobicContact CG-CH2 4.46Å; R160-W164 HydrophobicContact CG-CZ2 3.93Å; R160-W164 WeakPolarHBondContact O-CB 3.4Å; R160-W164 PolarHBondContact O-N 3.35Å; W164-R166 PolarHBondContact O-N 2.9Å; W164-R166 VanDerWaalsContact O-N 3.12Å; W164-L167 PolarHBondContact O-N 3.28Å; W164-L167 VanDerWaalsContact O-N 3.16Å; W164-C168 PolarHBondContact O-N 2.82Å; W164-C168 PolarHBondContact O-SG 3.48Å; W164-L251 HydrophobicContact CE3-CD2 3.92Å; W164-L251 HydrophobicContact CZ3-CD2 3.77Å; W164-F254 HydrophobicContact CH2-CD2 4.32Å; W164-F254 HydrophobicContact CH2-CE2 4.37Å; W164-F254 HydrophobicContact CZ3-CD2 4.01Å; W164-F254 HydrophobicContact CZ3-CE2 4.5Å; W164-M255 HydrophobicContact CE3-CE 3.82Å; W164-M255 HydrophobicContact CZ3-CE 4.43Å; W164-M263 HydrophobicContact CB-CE 3.79Å; W164-M263 HydrophobicContact CB-SD 4.38Å; W164-L335 HydrophobicContact CH2-CD2 3.81Å; W164-L335 HydrophobicContact CZ2-CD2 4.31Å; W164-W338 HydrophobicContact CH2-CB 4.39Å; W164-W338 AromaticContact CH2-CE3 3.71Å; W164-W338 HydrophobicContact CH2-CE3 3.71Å; W164-W338 HydrophobicContact CH2-CZ3 4.45Å; W164-W338 HydrophobicContact CZ2-CB 3.94Å; W164-W338 HydrophobicContact CZ2-CE3 4.39Å; W164-W338 HydrophobicContact CZ3-CE3 4.08Å; W164-D339 PolarHBondContact NE1-OD1 3.11Å; W164-F342 HydrophobicContact CB-CD2 4.02Å; W164-F342 HydrophobicContact CB-CG 4.43Å; W164-F342 AromaticContact CD1-CD2 3.76Å; W164-F342 AromaticContact CD2-CD2 3.62Å; W164-F342 HydrophobicContact CD2-CD2 3.62Å; W164-F342 AromaticContact CD2-CE2 3.66Å; W164-F342 HydrophobicContact CD2-CE2 3.66Å; W164-F342 AromaticContact CE2-CD2 3.78Å; W164-F342 AromaticContact CE2-CE2 3.92Å; W164-F342 HydrophobicContact CE3-CD2 4.21Å; W164-F342 AromaticContact CE3-CE2 3.77Å; W164-F342 HydrophobicContact CE3-CE2 3.77Å; W164-F342 AromaticContact CG-CD2 3.56Å; W164-F342 HydrophobicContact CG-CD2 3.56Å; W164-F342 HydrophobicContact CG-CE2 4.06Å; W164-F342 HydrophobicContact CG-CG 4.36Å; W164-F342 HydrophobicContact CH2-CE2 4.34Å; W164-F342 HydrophobicContact CZ2-CD2 4.42Å; W164-F342 HydrophobicContact CZ2-CE2 4.23Å; W164-F342 HydrophobicContact CZ3-CE2 4.15Å; W164-F342 AromaticContact NE1-CD2 3.9Å
165	P	95.5	Very high	91	Very high	10 Å²	10	25.4 Å²	25.4	7%	0.065	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-22.9	178.6	-24	35.7	0	0	0	114.2	P161 G169 A170 M171 M255 M263	P161-P165 WeakPolarHBondContact O-CD 3.33Å; P161-P165 WeakPolarHBondContact O-CG 3.45Å; P165-G169 CarbonylContact O-C 3.46Å; P165-G169 VanDerWaalsContact O-C 3.31Å; P165-G169 WeakPolarHBondContact O-CA 3.29Å; P165-G169 PolarHBondContact O-N 3.43Å; P165-G169 VanDerWaalsContact O-N 3.16Å; P165-A170 HydrophobicContact CB-CB 4.24Å; P165-A170 PolarHBondContact O-N 3.23Å; P165-M171 HydrophobicContact CB-CB 4.14Å; P165-M171 PolarHBondContact O-N 3.4Å; P165-M255 HydrophobicContact CG-SD 4.48Å; P165-M263 VanDerWaalsContact CA-SD 3.55Å; P165-M263 HydrophobicContact CB-SD 4.01Å; P165-M263 HydrophobicContact CG-CG 4.43Å; P165-M263 HydrophobicContact CG-SD 3.82Å
166	R	93.9	Very high	89.9	Confident	13 Å²	13	28.4 Å²	28.4	5%	0.049	14%	0.136	C	C	.	.	H	α-helix	trans	-90.4	-32	176.7	-62.5	175.8	165.9	75.6	0.4	112.6	W134 E138 F140 L141 Y162 V163 W164 G169 M171	W134-R166 PolarHBondContact O-NH2 3.23Å; E138-R166 WeakPolarHBondContact O-CD 3.47Å; E138-R166 PolarHBondContact O-NE 3.04Å; F140-R166 WeakPolarHBondContact CA-O 3.37Å; F140-R166 WeakPolarHBondContact CD2-O 3.32Å; L141-R166 HydrophobicContact CD1-CB 4.18Å; L141-R166 HydrophobicContact CG-CB 3.82Å; L141-R166 PolarHBondContact N-O 3.03Å; L141-R166 VanDerWaalsContact N-O 3.08Å; Y162-R166 WeakPolarHBondContact O-CD 3.31Å; Y162-R166 WeakPolarHBondContact O-CG 2.89Å; Y162-R166 PolarHBondContact O-NH1 2.86Å; V163-R166 PolarHBondContact O-N 3.45Å; W164-R166 PolarHBondContact O-N 2.9Å; W164-R166 VanDerWaalsContact O-N 3.12Å; R166-G169 PolarHBondContact O-N 3.02Å; R166-M171 HydrophobicContact CG-CB 4.31Å
167	L	94.9	Very high	88.8	Confident	7 Å²	7	29 Å²	29	4%	0.037	14%	0.14	C	C	.	.	H	α-helix	trans	-63.3	-48.7	173.3	-69.3	178.4	0	0	0	110.8	F140 L141 L147 V151 V155 V163 W164 G169 F342 Y343	F140-L167 WeakPolarHBondContact CE2-O 3.43Å; L141-L167 HydrophobicContact CB-CD2 4.42Å; L141-L167 HydrophobicContact CD1-CD2 3.96Å; L147-L167 HydrophobicContact CD1-CD2 4.15Å; L147-L167 HydrophobicContact CD2-CD2 4.05Å; L147-L167 HydrophobicContact CG-CD2 4.32Å; V151-L167 HydrophobicContact CG2-CD1 4.08Å; V151-L167 HydrophobicContact CG2-CD2 4.12Å; V155-L167 HydrophobicContact CG2-CD1 4.49Å; V163-L167 HydrophobicContact CG1-CD1 3.63Å; V163-L167 HydrophobicContact CG1-CD2 4.32Å; V163-L167 HydrophobicContact CG1-CG 3.74Å; V163-L167 WeakPolarHBondContact O-CG 3.43Å; V163-L167 PolarHBondContact O-N 2.79Å; W164-L167 PolarHBondContact O-N 3.28Å; W164-L167 VanDerWaalsContact O-N 3.16Å; L167-G169 VanDerWaalsContact C-N 3.33Å; L167-F342 CarbonylContact C-O 3.54Å; L167-F342 HydrophobicContact CB-CB 4.42Å; L167-Y343 HydrophobicContact CD2-CD2 3.9Å
168	C	93	Very high	88	Confident	4 Å²	4	31.6 Å²	31.6	3%	0.027	16%	0.155	C	C	.	.	S	Bend	trans	-86.6	-7.6	179.1	70.8	0	0	0	0	113	W164 A170 M263 T266 L271 F342 R454	W164-C168 PolarHBondContact O-N 2.82Å; W164-C168 PolarHBondContact O-SG 3.48Å; C168-A170 VanDerWaalsContact C-N 3.34Å; C168-A170 PolarHBondContact O-N 2.96Å; C168-M263 PolarHBondContact SG-SD 3.15Å; C168-T266 HydrophobicContact CB-CG2 4Å; C168-T266 WeakPolarHBondContact O-CG2 3.49Å; C168-L271 HydrophobicContact CB-CD1 3.98Å; C168-L271 HydrophobicContact CB-CD2 4.3Å; C168-F342 VanDerWaalsContact CA-O 3.25Å; C168-F342 WeakPolarHBondContact CA-O 3.46Å; C168-F342 HydrophobicContact CB-CB 4.16Å; C168-F342 HydrophobicContact CB-CD1 4.09Å; C168-F342 WeakPolarHBondContact CB-O 3.45Å; C168-F342 PolarHBondContact N-O 3.39Å; C168-F342 VanDerWaalsContact N-O 3.1Å; C168-R454 VanDerWaalsContact C-NH2 3.33Å; C168-R454 PolarHBondContact O-NH2 3.46Å
169	G	88.6	Confident	87.5	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.			trans	63.3	26.3	-177.7	0	0	0	0	0	116.5	P165 R166 L167 M171 C172 K173	P165-G169 CarbonylContact O-C 3.46Å; P165-G169 VanDerWaalsContact O-C 3.31Å; P165-G169 WeakPolarHBondContact O-CA 3.29Å; P165-G169 PolarHBondContact O-N 3.43Å; P165-G169 VanDerWaalsContact O-N 3.16Å; R166-G169 PolarHBondContact O-N 3.02Å; L167-G169 VanDerWaalsContact C-N 3.33Å; G169-M171 PolarHBondContact O-N 2.86Å; G169-C172 PolarHBondContact O-N 3.25Å; G169-K173 PolarHBondContact O-N 3.49Å
170	A	90.5	Very high	87.1	Confident	2 Å²	2	33.7 Å²	33.7	2%	0.017	16%	0.164	C	C	.	.	H	α-helix	trans	-55	-34.5	163.6	0	0	0	0	0	112.7	P165 C168 K173 R174 W262 M263 T266	P165-A170 HydrophobicContact CB-CB 4.24Å; P165-A170 PolarHBondContact O-N 3.23Å; C168-A170 VanDerWaalsContact C-N 3.34Å; C168-A170 PolarHBondContact O-N 2.96Å; A170-K173 PolarHBondContact O-N 2.89Å; A170-R174 WeakPolarHBondContact O-CB 3.47Å; A170-R174 PolarHBondContact O-N 3.42Å; A170-W262 HydrophobicContact CB-CB 4.25Å; A170-W262 WeakPolarHBondContact CB-O 3.18Å; A170-M263 HydrophobicContact CB-SD 3.9Å; A170-T266 VanDerWaalsContact CA-OG1 3.25Å; A170-T266 WeakPolarHBondContact CA-OG1 3.25Å; A170-T266 HydrophobicContact CB-CG2 4.48Å; A170-T266 VanDerWaalsContact CB-OG1 3.31Å; A170-T266 WeakPolarHBondContact CB-OG1 3.31Å
171	M	88.2	Confident	86.8	Confident	44 Å²	44	33.5 Å²	33.5	22%	0.217	16%	0.163	C	C	.	.	H	α-helix	trans	-65.9	-45.3	178	-176	70	179.5	0	0	111.8	S139 P165 R166 G169 K173 R174 Q175	S139-M171 WeakPolarHBondContact O-CB 3.48Å; P165-M171 HydrophobicContact CB-CB 4.14Å; P165-M171 PolarHBondContact O-N 3.4Å; R166-M171 HydrophobicContact CG-CB 4.31Å; G169-M171 PolarHBondContact O-N 2.86Å; M171-K173 VanDerWaalsContact C-N 3.34Å; M171-R174 PolarHBondContact O-N 2.84Å; M171-Q175 WeakPolarHBondContact O-CG 3.17Å; M171-Q175 PolarHBondContact O-N 2.96Å
172	C	83.3	Confident	86.6	Confident	10 Å²	10	39 Å²	39	7%	0.068	19%	0.185	C	C	.	.	H	α-helix	trans	-59.9	-45.2	172.6	-173.1	0	0	0	0	111.1	S139 F140 G169 R174 Q175 M176	S139-C172 PolarHBondContact O-N 3.37Å; F140-C172 HydrophobicContact CB-CB 4.47Å; G169-C172 PolarHBondContact O-N 3.25Å; C172-R174 PolarHBondContact O-N 3.13Å; C172-Q175 PolarHBondContact O-N 2.89Å; C172-Q175 VanDerWaalsContact O-N 3.14Å; C172-M176 WeakPolarHBondContact O-CG 3.29Å; C172-M176 PolarHBondContact O-N 3.08Å; C172-M176 WeakPolarHBondContact SG-CE 2.83Å
173	K	80	Confident	86.2	Confident	12 Å²	12	37.6 Å²	37.6	5%	0.052	18%	0.183	C	C	.	.	H	α-helix	trans	-58.6	-47.9	179.2	-166.4	-178	-68.5	-94.1	0	112	G169 A170 M171 Q175 M176 T177 W262 F265 E269 D270 V447	G169-K173 PolarHBondContact O-N 3.49Å; A170-K173 PolarHBondContact O-N 2.89Å; M171-K173 VanDerWaalsContact C-N 3.34Å; K173-Q175 VanDerWaalsContact C-N 3.27Å; K173-Q175 PolarHBondContact O-N 3.23Å; K173-M176 PolarHBondContact O-N 3.2Å; K173-T177 HydrophobicContact CG-CG2 4.39Å; K173-T177 WeakPolarHBondContact O-CG2 3.4Å; K173-T177 PolarHBondContact O-N 2.95Å; K173-T177 VanDerWaalsContact O-N 3.11Å; K173-T177 PolarHBondContact O-OG1 3.24Å; K173-W262 HydrophobicContact CD-CE3 4.38Å; K173-W262 HydrophobicContact CD-CZ3 4.45Å; K173-W262 HydrophobicContact CG-CE3 4.35Å; K173-W262 HydrophobicContact CG-CZ3 4.28Å; K173-F265 HydrophobicContact CD-CD1 3.29Å; K173-F265 HydrophobicContact CD-CE1 3.55Å; K173-F265 HydrophobicContact CD-CG 4.24Å; K173-F265 HydrophobicContact CG-CE1 4.5Å; K173-E269 IonicContact NZ-OE2 3.86Å; K173-E269 PolarHBondContact NZ-OE2 2.96Å; K173-D270 WeakPolarHBondContact CE-OD2 3.39Å; K173-D270 IonicContact NZ-OD1 2.83Å; K173-D270 PolarHBondContact NZ-OD1 3.12Å; K173-D270 IonicContact NZ-OD2 3.7Å; K173-D270 PolarHBondContact NZ-OD2 2.58Å; K173-V447 VanDerWaalsContact NZ-CG1 3.27Å
174	R	84.2	Confident	85.7	Confident	94 Å²	94	38 Å²	38	36%	0.355	19%	0.185	S	C	.	.	H	α-helix	trans	-54.3	-41.7	174.9	174.4	178.8	-176.9	-146.4	1.1	113	A170 M171 C172 T177 E258 W262	A170-R174 WeakPolarHBondContact O-CB 3.47Å; A170-R174 PolarHBondContact O-N 3.42Å; M171-R174 PolarHBondContact O-N 2.84Å; C172-R174 PolarHBondContact O-N 3.13Å; R174-T177 PolarHBondContact O-OG1 3.22Å; R174-T177 VanDerWaalsContact O-OG1 3.13Å; R174-E258 IonicContact CZ-OE1 2.74Å; R174-E258 IonicContact NE-OE1 3.01Å; R174-E258 PolarHBondContact NE-OE1 3.33Å; R174-E258 VanDerWaalsContact NH2-CD 3.28Å; R174-E258 IonicContact NH2-OE1 2.62Å; R174-E258 PolarHBondContact NH2-OE1 2.83Å; R174-E258 IonicContact NH2-OE2 2.63Å; R174-E258 PolarHBondContact NH2-OE2 2.89Å; R174-W262 HydrophobicContact CB-CD2 3.77Å; R174-W262 HydrophobicContact CB-CE3 4.43Å; R174-W262 HydrophobicContact CB-CG 3.79Å; R174-W262 HydrophobicContact CB-CZ2 4.44Å; R174-W262 HydrophobicContact CG-CD2 4.27Å; R174-W262 HydrophobicContact CG-CG 4.21Å; R174-W262 HydrophobicContact CG-CZ2 4.41Å
175	Q	81.8	Confident	85.3	Confident	119 Å²	119	40.2 Å²	40.2	56%	0.556	20%	0.197	S	C	*	.	H	α-helix	trans	-72.9	-31.8	-178.6	-71.2	174.7	-21.2	0	0	112.6	S139 M171 C172 K173	S139-Q175 PolarHBondContact OG-OE1 3.04Å; M171-Q175 WeakPolarHBondContact O-CG 3.17Å; M171-Q175 PolarHBondContact O-N 2.96Å; C172-Q175 PolarHBondContact O-N 2.89Å; C172-Q175 VanDerWaalsContact O-N 3.14Å; K173-Q175 VanDerWaalsContact C-N 3.27Å; K173-Q175 PolarHBondContact O-N 3.23Å
176	M	72.7	Confident	84.9	Confident	65 Å²	65	47.7 Å²	47.7	32%	0.32	23%	0.228	S	C	.	.	H	α-helix	trans	-86.2	-18.8	-176.7	-69.9	177.7	169.9	0	0	114	C172 K173 I471	C172-M176 WeakPolarHBondContact O-CG 3.29Å; C172-M176 PolarHBondContact O-N 3.08Å; C172-M176 WeakPolarHBondContact SG-CE 2.83Å; K173-M176 PolarHBondContact O-N 3.2Å; M176-I471 HydrophobicContact CE-CD1 3.53Å; M176-I471 HydrophobicContact SD-CD1 3.9Å
177	T	71.6	Confident	84.3	Confident	21 Å²	21	52.1 Å²	52.1	13%	0.129	25%	0.248	C	C	.	.			trans	-82.1	136.7	-178.9	47	0	0	0	0	113.6	K173 R174 F179 W262	K173-T177 HydrophobicContact CG-CG2 4.39Å; K173-T177 WeakPolarHBondContact O-CG2 3.4Å; K173-T177 PolarHBondContact O-N 2.95Å; K173-T177 VanDerWaalsContact O-N 3.11Å; K173-T177 PolarHBondContact O-OG1 3.24Å; R174-T177 PolarHBondContact O-OG1 3.22Å; R174-T177 VanDerWaalsContact O-OG1 3.13Å; T177-F179 VanDerWaalsContact C-N 3.28Å; T177-F179 HydrophobicContact CG2-CE1 4.38Å; T177-F179 HydrophobicContact CG2-CZ 4.32Å; T177-F179 PolarHBondContact O-N 2.9Å; T177-W262 HydrophobicContact CG2-CH2 3.75Å; T177-W262 HydrophobicContact CG2-CZ3 3.83Å; T177-W262 WeakPolarHBondContact OG1-CH2 3.19Å; T177-W262 WeakPolarHBondContact OG1-CZ2 3.48Å
178	D	70.8	Confident	83.7	Confident	93 Å²	93	52.9 Å²	52.9	50%	0.497	25%	0.252	S	S	.	.	S	Bend	trans	-75.5	-3.8	-178.1	-76.6	-34.1	0	0	0	115.8	R634	D178-R634 PolarHBondContact O-NH2 3.16Å
179	F	78.4	Confident	82.5	Confident	50 Å²	50	59.7 Å²	59.7	22%	0.219	28%	0.282	C	S	.	.	S	Bend	trans	-119.7	146.8	179	60.1	-96.8	0	0	0	110.2	T177 I184 W262 F265	T177-F179 VanDerWaalsContact C-N 3.28Å; T177-F179 HydrophobicContact CG2-CE1 4.38Å; T177-F179 HydrophobicContact CG2-CZ 4.32Å; T177-F179 PolarHBondContact O-N 2.9Å; F179-I184 HydrophobicContact CD2-CD1 3.41Å; F179-I184 VanDerWaalsContact CD2-CD1 3.41Å; F179-I184 HydrophobicContact CD2-CG1 3.87Å; F179-I184 HydrophobicContact CE2-CD1 3.4Å; F179-I184 VanDerWaalsContact CE2-CD1 3.4Å; F179-I184 HydrophobicContact CE2-CG1 4.3Å; F179-W262 HydrophobicContact CD2-CH2 4.28Å; F179-W262 AromaticContact CE2-CH2 3.55Å; F179-W262 HydrophobicContact CE2-CH2 3.55Å; F179-W262 HydrophobicContact CE2-CZ2 4.21Å; F179-W262 HydrophobicContact CE2-CZ3 4.37Å; F179-W262 AromaticContact CZ-CH2 3.97Å; F179-W262 HydrophobicContact CZ-CH2 3.97Å; F179-F265 HydrophobicContact CE2-CE2 4.37Å; F179-F265 AromaticContact CZ-CE2 3.85Å; F179-F265 HydrophobicContact CZ-CE2 3.85Å; F179-F265 HydrophobicContact CZ-CZ 4.16Å
180	S	84.5	Confident	81.4	Confident	41 Å²	41	67.7 Å²	67.7	29%	0.287	32%	0.319	S	S	.	.			trans	-95.8	155.1	172.8	72.7	0	0	0	0	111.3	K182 D183 I184	S180-K182 PolarHBondContact O-N 3.46Å; S180-D183 PolarHBondContact N-OD2 3.3Å; S180-D183 WeakPolarHBondContact O-CB 3.49Å; S180-D183 PolarHBondContact O-N 3.31Å; S180-D183 PolarHBondContact OG-N 2.97Å; S180-D183 VanDerWaalsContact OG-N 3.08Å; S180-D183 PolarHBondContact OG-OD2 2.73Å; S180-I184 PolarHBondContact O-N 3.09Å; S180-I184 VanDerWaalsContact O-N 3.08Å
181	Y	89.3	Confident	80.1	Confident	2 Å²	2	72.9 Å²	72.9	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-54.6	-39.1	170.2	172.7	-110.3	0	0	0	111.8	D183 I184 L185 A230 E257 E258 F261	Y181-D183 VanDerWaalsContact C-N 3.32Å; Y181-D183 PolarHBondContact O-N 3.49Å; Y181-I184 WeakPolarHBondContact O-CB 3.01Å; Y181-I184 PolarHBondContact O-N 3.3Å; Y181-I184 VanDerWaalsContact O-N 3.16Å; Y181-L185 HydrophobicContact CD1-CD1 4.14Å; Y181-L185 HydrophobicContact CE1-CD1 3.46Å; Y181-L185 VanDerWaalsContact CE1-CD1 3.46Å; Y181-L185 HydrophobicContact CE1-CG 4.07Å; Y181-L185 HydrophobicContact CE2-CD1 4.32Å; Y181-L185 HydrophobicContact CE2-CD2 4.12Å; Y181-L185 HydrophobicContact CE2-CG 4.1Å; Y181-L185 PolarHBondContact O-N 3.37Å; Y181-A230 HydrophobicContact CD2-CB 4.07Å; Y181-A230 HydrophobicContact CE2-CB 3.6Å; Y181-E257 HydrophobicContact CE1-CB 4.49Å; Y181-E257 HydrophobicContact CE1-CG 3.81Å; Y181-E257 WeakPolarHBondContact CE1-OE1 3.11Å; Y181-E258 HydrophobicContact CD1-CB 3.81Å; Y181-E258 HydrophobicContact CD1-CG 4.19Å; Y181-E258 HydrophobicContact CE1-CB 4.45Å; Y181-E258 HydrophobicContact CG-CB 4.23Å; Y181-E258 HydrophobicContact CG-CG 4.19Å; Y181-F261 HydrophobicContact CD2-CB 3.72Å; Y181-F261 AromaticContact CD2-CD1 3.76Å; Y181-F261 HydrophobicContact CD2-CD1 3.76Å; Y181-F261 AromaticContact CD2-CD2 3.91Å; Y181-F261 HydrophobicContact CD2-CD2 3.91Å; Y181-F261 HydrophobicContact CD2-CE1 4.4Å; Y181-F261 AromaticContact CD2-CG 3.49Å; Y181-F261 HydrophobicContact CD2-CG 3.49Å; Y181-F261 VanDerWaalsContact CD2-CG 3.49Å; Y181-F261 HydrophobicContact CE2-CB 3.82Å; Y181-F261 HydrophobicContact CE2-CD2 4.12Å; Y181-F261 AromaticContact CE2-CG 3.92Å; Y181-F261 HydrophobicContact CE2-CG 3.92Å; Y181-F261 HydrophobicContact CG-CD1 4.37Å; Y181-F261 HydrophobicContact CG-CG 4.43Å
182	K	89.6	Confident	78.8	Confident	142 Å²	142	77 Å²	77	62%	0.617	37%	0.366	S	S	*	.	H	α-helix	trans	-61.7	-38	175.1	-65.8	-177.2	-179.2	179	0	112.7	S180 I184 K186	S180-K182 PolarHBondContact O-N 3.46Å; K182-I184 VanDerWaalsContact C-N 3.34Å; K182-K186 WeakPolarHBondContact O-CG 3.28Å; K182-K186 PolarHBondContact O-N 3.32Å
183	D	85.5	Confident	78.6	Confident	61 Å²	61	78.8 Å²	78.8	33%	0.326	38%	0.376	S	S	.	.	H	α-helix	trans	-70.7	-32.7	176.4	-61.4	-40.7	0	0	0	111.9	S180 Y181 K187	S180-D183 PolarHBondContact N-OD2 3.3Å; S180-D183 WeakPolarHBondContact O-CB 3.49Å; S180-D183 PolarHBondContact O-N 3.31Å; S180-D183 PolarHBondContact OG-N 2.97Å; S180-D183 VanDerWaalsContact OG-N 3.08Å; S180-D183 PolarHBondContact OG-OD2 2.73Å; Y181-D183 VanDerWaalsContact C-N 3.32Å; Y181-D183 PolarHBondContact O-N 3.49Å; D183-K187 WeakPolarHBondContact O-CG 3.48Å; D183-K187 PolarHBondContact O-N 2.72Å
184	I	86.4	Confident	78.7	Confident	7 Å²	7	83.3 Å²	83.3	4%	0.036	41%	0.405	C	S	.	.	H	α-helix	trans	-63.2	-54.4	172	-68	163.8	0	0	0	109.4	F179 S180 Y181 K182 K186 K187 V188 A230 Y233 V234 F261	F179-I184 HydrophobicContact CD2-CD1 3.41Å; F179-I184 VanDerWaalsContact CD2-CD1 3.41Å; F179-I184 HydrophobicContact CD2-CG1 3.87Å; F179-I184 HydrophobicContact CE2-CD1 3.4Å; F179-I184 VanDerWaalsContact CE2-CD1 3.4Å; F179-I184 HydrophobicContact CE2-CG1 4.3Å; S180-I184 PolarHBondContact O-N 3.09Å; S180-I184 VanDerWaalsContact O-N 3.08Å; Y181-I184 WeakPolarHBondContact O-CB 3.01Å; Y181-I184 PolarHBondContact O-N 3.3Å; Y181-I184 VanDerWaalsContact O-N 3.16Å; K182-I184 VanDerWaalsContact C-N 3.34Å; I184-K186 PolarHBondContact O-N 3.28Å; I184-K186 VanDerWaalsContact O-N 3.16Å; I184-K187 CarbonylContact O-C 3.34Å; I184-K187 WeakPolarHBondContact O-CA 3.5Å; I184-K187 WeakPolarHBondContact O-CB 3.47Å; I184-K187 PolarHBondContact O-N 2.7Å; I184-V188 HydrophobicContact CG2-CG2 3.91Å; I184-V188 WeakPolarHBondContact O-CG2 3.43Å; I184-V188 PolarHBondContact O-N 3.09Å; I184-A230 HydrophobicContact CG2-CB 3.82Å; I184-Y233 HydrophobicContact CG2-CD1 3.79Å; I184-Y233 HydrophobicContact CG2-CE1 4.46Å; I184-Y233 HydrophobicContact CG2-CG 4.42Å; I184-V234 HydrophobicContact CD1-CG2 3.57Å; I184-V234 HydrophobicContact CG1-CG2 4.21Å; I184-V234 HydrophobicContact CG2-CG2 4.32Å; I184-F261 HydrophobicContact CD1-CE1 3.96Å; I184-F261 HydrophobicContact CD1-CE2 4.17Å; I184-F261 HydrophobicContact CD1-CZ 3.46Å; I184-F261 VanDerWaalsContact CD1-CZ 3.46Å
185	L	89	Confident	78.7	Confident	47 Å²	47	80.7 Å²	80.7	25%	0.246	40%	0.399	C	S	.	.	H	α-helix	trans	-56.8	-35.1	-178.4	-70.4	-175.9	0	0	0	113.3	Y181 K187 Q226 A230	Y181-L185 HydrophobicContact CD1-CD1 4.14Å; Y181-L185 HydrophobicContact CE1-CD1 3.46Å; Y181-L185 VanDerWaalsContact CE1-CD1 3.46Å; Y181-L185 HydrophobicContact CE1-CG 4.07Å; Y181-L185 HydrophobicContact CE2-CD1 4.32Å; Y181-L185 HydrophobicContact CE2-CD2 4.12Å; Y181-L185 HydrophobicContact CE2-CG 4.1Å; Y181-L185 PolarHBondContact O-N 3.37Å; L185-K187 VanDerWaalsContact C-N 3.28Å; L185-K187 PolarHBondContact O-N 2.78Å; L185-Q226 HydrophobicContact CD2-CB 4.06Å; L185-A230 HydrophobicContact CD2-CB 4.2Å
186	K	86.7	Confident	79.1	Confident	168 Å²	168	76.3 Å²	76.3	73%	0.73	38%	0.379	S	S	*	.	H	α-helix	trans	-65.7	-29.1	174.2	-73.4	174.2	-176.5	174.1	0	113.7	K182 I184	K182-K186 WeakPolarHBondContact O-CG 3.28Å; K182-K186 PolarHBondContact O-N 3.32Å; I184-K186 PolarHBondContact O-N 3.28Å; I184-K186 VanDerWaalsContact O-N 3.16Å
187	K	82.3	Confident	79.9	Confident	106 Å²	106	77.9 Å²	77.9	46%	0.461	38%	0.383	S	S	.	.	H	α-helix	trans	-90	-27.2	-179.4	-69.6	176	-179.2	-177.2	0	112.7	D183 I184 L185 K189 Y233	D183-K187 WeakPolarHBondContact O-CG 3.48Å; D183-K187 PolarHBondContact O-N 2.72Å; I184-K187 CarbonylContact O-C 3.34Å; I184-K187 WeakPolarHBondContact O-CA 3.5Å; I184-K187 WeakPolarHBondContact O-CB 3.47Å; I184-K187 PolarHBondContact O-N 2.7Å; L185-K187 VanDerWaalsContact C-N 3.28Å; L185-K187 PolarHBondContact O-N 2.78Å; K187-K189 PolarHBondContact O-N 3.48Å; K187-Y233 HydrophobicContact CB-CE1 4.31Å; K187-Y233 HydrophobicContact CB-CE2 4.27Å
188	V	80.7	Confident	80.8	Confident	22 Å²	22	81 Å²	81	13%	0.133	40%	0.397	C	S	.	.			trans	-63.1	104.4	170.2	177.1	0	0	0	0	107.2	I184 F196 H229 Y233	I184-V188 HydrophobicContact CG2-CG2 3.91Å; I184-V188 WeakPolarHBondContact O-CG2 3.43Å; I184-V188 PolarHBondContact O-N 3.09Å; V188-F196 HydrophobicContact CG1-CZ 3.79Å; V188-H229 HydrophobicContact CG1-CB 3.97Å; V188-Y233 HydrophobicContact CG2-CD1 4.37Å; V188-Y233 HydrophobicContact CG2-CD2 4.03Å; V188-Y233 HydrophobicContact CG2-CG 3.75Å
189	K	69.3	Low	82	Confident	147 Å²	147	76.6 Å²	76.6	64%	0.639	37%	0.373	S	S	*	.			trans	-81.9	137.2	166.3	-65.8	-179.5	-178.8	179.4	0	107.4	K187 E191 F196	K187-K189 PolarHBondContact O-N 3.48Å; K189-E191 HydrophobicContact CB-CG 3.86Å; K189-E191 PolarHBondContact O-N 3.13Å; K189-F196 VanDerWaalsContact O-CZ 3.25Å; K189-F196 WeakPolarHBondContact O-CZ 3.38Å
190	E	63.7	Low	82.7	Confident	168 Å²	168	78 Å²	78	79%	0.785	38%	0.38	S	S	*	.			trans	-68	82.3	165	-68.6	-179.7	173.5	0	0	108.1	F196	E190-F196 HydrophobicContact CB-CE1 4.37Å; E190-F196 HydrophobicContact CG-CE1 4.29Å
191	E	64.8	Low	83.1	Confident	112 Å²	112	83.9 Å²	83.9	52%	0.523	40%	0.401	S	S	.	.			trans	-95.2	141.5	173.4	-72.6	177.7	-170.9	0	0	109	K189 T193 F196	K189-E191 HydrophobicContact CB-CG 3.86Å; K189-E191 PolarHBondContact O-N 3.13Å; E191-T193 HydrophobicContact CB-CG2 3.83Å; E191-T193 PolarHBondContact O-N 2.96Å; E191-F196 WeakPolarHBondContact O-CG 3.22Å
192	D	60.7	Low	83.4	Confident	129 Å²	129	84.3 Å²	84.3	69%	0.69	40%	0.403	S	S	*	.			trans	-73.1	53.2	-179.7	-164.8	38.4	0	0	0	112.2	K197	D192-K197 VanDerWaalsContact CG-NZ 3.34Å; D192-K197 WeakPolarHBondContact OD1-CE 3.42Å; D192-K197 IonicContact OD1-NZ 3.3Å; D192-K197 PolarHBondContact OD1-NZ 3.41Å; D192-K197 VanDerWaalsContact OD2-CE 3.22Å; D192-K197 WeakPolarHBondContact OD2-CE 3.35Å; D192-K197 IonicContact OD2-NZ 3.27Å; D192-K197 PolarHBondContact OD2-NZ 2.66Å
193	T	79.7	Confident	83.7	Confident	48 Å²	48	77.6 Å²	77.6	29%	0.294	37%	0.374	S	S	.	.			trans	-81.6	159.4	-179.8	70	0	0	0	0	111.1	E191 V195 F196 K197	E191-T193 HydrophobicContact CB-CG2 3.83Å; E191-T193 PolarHBondContact O-N 2.96Å; T193-V195 PolarHBondContact O-N 3.42Å; T193-F196 PolarHBondContact O-N 2.9Å; T193-F196 WeakPolarHBondContact OG1-CD2 3.45Å; T193-F196 PolarHBondContact OG1-N 2.84Å; T193-K197 PolarHBondContact O-N 2.8Å; T193-K197 VanDerWaalsContact O-N 3.16Å
194	V	81.4	Confident	84.1	Confident	108 Å²	108	79.7 Å²	79.7	66%	0.655	39%	0.385	S	S	*	.	H	α-helix	trans	-56.7	-37.2	174.9	179	0	0	0	0	111.5	K197 Q198	V194-K197 PolarHBondContact O-N 3.36Å; V194-Q198 WeakPolarHBondContact O-CG 3.26Å; V194-Q198 PolarHBondContact O-N 3.45Å
195	V	85	Confident	84.5	Confident	38 Å²	38	85.4 Å²	85.4	23%	0.23	41%	0.406	C	S	.	.	H	α-helix	trans	-65.9	-45.6	179.9	177.3	0	0	0	0	111.4	T193 K197 Q198 I199	T193-V195 PolarHBondContact O-N 3.42Å; V195-K197 VanDerWaalsContact C-N 3.34Å; V195-K197 PolarHBondContact O-N 2.94Å; V195-Q198 PolarHBondContact O-N 3.14Å; V195-I199 HydrophobicContact CG1-CD1 4Å; V195-I199 WeakPolarHBondContact O-CG1 3.31Å; V195-I199 PolarHBondContact O-N 3.13Å
196	F	88.8	Confident	84.8	Confident	28 Å²	28	83.8 Å²	83.8	12%	0.123	40%	0.398	C	S	.	.	H	α-helix	trans	-60.4	-44.3	176.7	-86.1	-116.1	0	0	0	111.1	V188 K189 E190 E191 T193 Q198 I199 E200 H229	V188-F196 HydrophobicContact CG1-CZ 3.79Å; K189-F196 VanDerWaalsContact O-CZ 3.25Å; K189-F196 WeakPolarHBondContact O-CZ 3.38Å; E190-F196 HydrophobicContact CB-CE1 4.37Å; E190-F196 HydrophobicContact CG-CE1 4.29Å; E191-F196 WeakPolarHBondContact O-CG 3.22Å; T193-F196 PolarHBondContact O-N 2.9Å; T193-F196 WeakPolarHBondContact OG1-CD2 3.45Å; T193-F196 PolarHBondContact OG1-N 2.84Å; F196-Q198 VanDerWaalsContact C-N 3.29Å; F196-Q198 PolarHBondContact O-N 3.15Å; F196-I199 PolarHBondContact O-N 2.84Å; F196-E200 WeakPolarHBondContact O-CG 3.45Å; F196-E200 PolarHBondContact O-N 2.81Å; F196-H229 AromaticContact CD1-CD2 3.96Å; F196-H229 AromaticContact CD1-CE1 3.26Å; F196-H229 WeakPolarHBondContact CD1-CE1 3.45Å; F196-H229 AromaticContact CD1-ND1 3.93Å; F196-H229 AromaticContact CD1-NE2 3.28Å; F196-H229 VanDerWaalsContact CD1-NE2 3.28Å; F196-H229 WeakPolarHBondContact CD1-NE2 3.44Å; F196-H229 AromaticContact CE1-CD2 3.85Å; F196-H229 AromaticContact CE1-CE1 3.17Å; F196-H229 WeakPolarHBondContact CE1-CE1 3.09Å; F196-H229 AromaticContact CE1-CG 3.79Å; F196-H229 AromaticContact CE1-ND1 3.36Å; F196-H229 WeakPolarHBondContact CE1-ND1 3.08Å; F196-H229 AromaticContact CE1-NE2 3.51Å; F196-H229 AromaticContact CG-NE2 3.75Å; F196-H229 HydrophobicContact CZ-CB 4.45Å; F196-H229 AromaticContact CZ-CG 3.95Å; F196-H229 AromaticContact CZ-ND1 3.93Å
197	K	89.9	Confident	85.2	Confident	97 Å²	97	77 Å²	77	42%	0.422	37%	0.369	S	S	.	.	H	α-helix	trans	-61.3	-35.7	176.5	-69.3	179.1	-175.5	173.8	0	113.1	D192 T193 V194 V195 K201	D192-K197 VanDerWaalsContact CG-NZ 3.34Å; D192-K197 WeakPolarHBondContact OD1-CE 3.42Å; D192-K197 IonicContact OD1-NZ 3.3Å; D192-K197 PolarHBondContact OD1-NZ 3.41Å; D192-K197 VanDerWaalsContact OD2-CE 3.22Å; D192-K197 WeakPolarHBondContact OD2-CE 3.35Å; D192-K197 IonicContact OD2-NZ 3.27Å; D192-K197 PolarHBondContact OD2-NZ 2.66Å; T193-K197 PolarHBondContact O-N 2.8Å; T193-K197 VanDerWaalsContact O-N 3.16Å; V194-K197 PolarHBondContact O-N 3.36Å; V195-K197 VanDerWaalsContact C-N 3.34Å; V195-K197 PolarHBondContact O-N 2.94Å; K197-K201 VanDerWaalsContact O-CG 3.3Å; K197-K201 WeakPolarHBondContact O-CG 3.25Å; K197-K201 PolarHBondContact O-N 2.87Å
198	Q	91.3	Very high	85.6	Confident	88 Å²	88	75 Å²	75	41%	0.411	37%	0.368	S	S	.	.	H	α-helix	trans	-69.8	-43.6	175.6	-74.6	174.9	-17	0	0	111.5	V194 V195 F196 K201 D202 Y240	V194-Q198 WeakPolarHBondContact O-CG 3.26Å; V194-Q198 PolarHBondContact O-N 3.45Å; V195-Q198 PolarHBondContact O-N 3.14Å; F196-Q198 VanDerWaalsContact C-N 3.29Å; F196-Q198 PolarHBondContact O-N 3.15Å; Q198-K201 PolarHBondContact O-N 2.9Å; Q198-D202 PolarHBondContact O-N 3.4Å; Q198-Y240 HydrophobicContact CB-CD1 4.01Å
199	I	94.7	Very high	86.1	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-59.3	-50.9	176.4	-69.9	168.2	0	0	0	110	V195 F196 K201 D202 L203 L228 Y240	V195-I199 HydrophobicContact CG1-CD1 4Å; V195-I199 WeakPolarHBondContact O-CG1 3.31Å; V195-I199 PolarHBondContact O-N 3.13Å; F196-I199 PolarHBondContact O-N 2.84Å; I199-K201 VanDerWaalsContact C-N 3.3Å; I199-K201 PolarHBondContact O-N 2.92Å; I199-D202 WeakPolarHBondContact O-CA 3.42Å; I199-D202 WeakPolarHBondContact O-CB 3.49Å; I199-D202 PolarHBondContact O-N 2.88Å; I199-L203 HydrophobicContact CG2-CD2 4.02Å; I199-L203 HydrophobicContact CG2-CG 4.32Å; I199-L203 WeakPolarHBondContact O-CG 3.2Å; I199-L203 PolarHBondContact O-N 3.31Å; I199-L203 VanDerWaalsContact O-N 3.15Å; I199-L228 HydrophobicContact CD1-CB 3.92Å; I199-L228 HydrophobicContact CG1-CB 4.28Å; I199-L228 HydrophobicContact CG2-CB 4.04Å; I199-L228 HydrophobicContact CG2-CD1 3.92Å; I199-Y240 HydrophobicContact CD1-CD2 4.22Å; I199-Y240 HydrophobicContact CD1-CG 4.17Å; I199-Y240 HydrophobicContact CG1-CD1 3.9Å; I199-Y240 HydrophobicContact CG1-CD2 3.66Å; I199-Y240 HydrophobicContact CG1-CE1 4.37Å; I199-Y240 HydrophobicContact CG1-CE2 4.17Å; I199-Y240 HydrophobicContact CG1-CG 3.51Å
200	E	94	Very high	87.3	Confident	79 Å²	79	71.7 Å²	71.7	37%	0.369	36%	0.356	S	S	.	.	H	α-helix	trans	-57.3	-39.4	-179	-71.5	-54.2	133.3	0	0	113.5	F196 D202 L203 R225	F196-E200 WeakPolarHBondContact O-CG 3.45Å; F196-E200 PolarHBondContact O-N 2.81Å; E200-D202 PolarHBondContact O-N 3.35Å; E200-L203 WeakPolarHBondContact OE2-CD1 3.4Å; E200-R225 VanDerWaalsContact OE1-CD 3.32Å; E200-R225 WeakPolarHBondContact OE1-CD 3.26Å; E200-R225 IonicContact OE1-CZ 2.68Å; E200-R225 IonicContact OE1-NE 2.92Å; E200-R225 PolarHBondContact OE1-NE 3.09Å; E200-R225 IonicContact OE1-NH2 3.79Å; E200-R225 IonicContact OE2-CZ 2.73Å; E200-R225 IonicContact OE2-NE 3.53Å; E200-R225 PolarHBondContact OE2-NE 3.32Å; E200-R225 IonicContact OE2-NH2 3.67Å; E200-R225 PolarHBondContact OE2-NH2 3.14Å
201	K	92.8	Very high	88.6	Confident	164 Å²	164	64.3 Å²	64.3	71%	0.713	32%	0.322	S	S	*	.	H	α-helix	trans	-64.3	-24.8	175.6	-73.2	174.9	-178.1	-176.7	0	112.7	K197 Q198 I199	K197-K201 VanDerWaalsContact O-CG 3.3Å; K197-K201 WeakPolarHBondContact O-CG 3.25Å; K197-K201 PolarHBondContact O-N 2.87Å; Q198-K201 PolarHBondContact O-N 2.9Å; I199-K201 VanDerWaalsContact C-N 3.3Å; I199-K201 PolarHBondContact O-N 2.92Å
202	D	94.7	Very high	90	Very high	12 Å²	12	59 Å²	59	6%	0.064	30%	0.297	C	S	.	.	H	α-helix	trans	-90.8	-25.3	-174.9	-75.2	19.4	0	0	0	113.7	Q198 I199 E200 L204 R205 T206 Y240	Q198-D202 PolarHBondContact O-N 3.4Å; I199-D202 WeakPolarHBondContact O-CA 3.42Å; I199-D202 WeakPolarHBondContact O-CB 3.49Å; I199-D202 PolarHBondContact O-N 2.88Å; E200-D202 PolarHBondContact O-N 3.35Å; D202-L204 PolarHBondContact O-N 2.86Å; D202-R205 WeakPolarHBondContact O-CG 3.43Å; D202-R205 PolarHBondContact O-N 2.77Å; D202-R205 IonicContact OD1-CZ 3.83Å; D202-R205 IonicContact OD1-NE 3.79Å; D202-R205 PolarHBondContact OD1-NE 3.03Å; D202-R205 IonicContact OD1-NH2 2.7Å; D202-R205 PolarHBondContact OD1-NH2 3.3Å; D202-R205 IonicContact OD2-CZ 2.99Å; D202-R205 IonicContact OD2-NE 2.76Å; D202-R205 IonicContact OD2-NH2 2.66Å; D202-R205 PolarHBondContact OD2-NH2 2.87Å; D202-T206 WeakPolarHBondContact O-CB 3.36Å; D202-T206 PolarHBondContact O-N 3.39Å; D202-T206 VanDerWaalsContact O-N 3.16Å; D202-T206 PolarHBondContact O-OG1 3.47Å; D202-Y240 HydrophobicContact CB-CE1 4.29Å; D202-Y240 WeakPolarHBondContact CB-OH 3.28Å; D202-Y240 VanDerWaalsContact OD2-CE1 3.22Å; D202-Y240 WeakPolarHBondContact OD2-CE1 3.37Å; D202-Y240 PolarHBondContact OD2-OH 2.71Å
203	L	96.4	Very high	91.6	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-58	-51	-172.7	-65.6	179.9	0	0	0	112.7	I199 E200 R205 T206 V221 L224 R225 L228	I199-L203 HydrophobicContact CG2-CD2 4.02Å; I199-L203 HydrophobicContact CG2-CG 4.32Å; I199-L203 WeakPolarHBondContact O-CG 3.2Å; I199-L203 PolarHBondContact O-N 3.31Å; I199-L203 VanDerWaalsContact O-N 3.15Å; E200-L203 WeakPolarHBondContact OE2-CD1 3.4Å; L203-R205 VanDerWaalsContact C-N 3.34Å; L203-R205 PolarHBondContact O-N 3.41Å; L203-T206 PolarHBondContact O-N 3.15Å; L203-V221 HydrophobicContact CB-CG1 4.11Å; L203-V221 HydrophobicContact CD1-CG1 4.29Å; L203-L224 HydrophobicContact CD2-CB 4.26Å; L203-L224 HydrophobicContact CD2-CD2 3.79Å; L203-L224 HydrophobicContact CD2-CG 3.66Å; L203-R225 HydrophobicContact CD1-CB 3.82Å; L203-R225 HydrophobicContact CD1-CG 4.15Å; L203-R225 HydrophobicContact CD2-CB 4.18Å; L203-L228 HydrophobicContact CD2-CD1 4.27Å
204	L	94.6	Very high	92.1	Very high	105 Å²	105	52 Å²	52	55%	0.55	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.1	-175.7	-63.4	-178.6	0	0	0	114	D202 V221	D202-L204 PolarHBondContact O-N 2.86Å; L204-V221 HydrophobicContact CD2-CG2 4.48Å
205	R	94.1	Very high	92.4	Very high	127 Å²	127	51.8 Å²	51.8	48%	0.479	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-6.3	173.7	63	178.7	-170.3	148.9	3.2	113	D202 L203 P208 Q242	D202-R205 WeakPolarHBondContact O-CG 3.43Å; D202-R205 PolarHBondContact O-N 2.77Å; D202-R205 IonicContact OD1-CZ 3.83Å; D202-R205 IonicContact OD1-NE 3.79Å; D202-R205 PolarHBondContact OD1-NE 3.03Å; D202-R205 IonicContact OD1-NH2 2.7Å; D202-R205 PolarHBondContact OD1-NH2 3.3Å; D202-R205 IonicContact OD2-CZ 2.99Å; D202-R205 IonicContact OD2-NE 2.76Å; D202-R205 IonicContact OD2-NH2 2.66Å; D202-R205 PolarHBondContact OD2-NH2 2.87Å; L203-R205 VanDerWaalsContact C-N 3.34Å; L203-R205 PolarHBondContact O-N 3.41Å; R205-P208 WeakPolarHBondContact O-CD 3.22Å; R205-Q242 VanDerWaalsContact NH2-CD 3.27Å; R205-Q242 VanDerWaalsContact NH2-NE2 3.1Å
206	T	95.7	Very high	92.6	Very high	12 Å²	12	52 Å²	52	7%	0.074	26%	0.262	C	S	.	.	S	Bend	trans	-90.9	116	-178.7	-61.6	0	0	0	0	110.3	D202 L203 L224 V246 A249	D202-T206 WeakPolarHBondContact O-CB 3.36Å; D202-T206 PolarHBondContact O-N 3.39Å; D202-T206 VanDerWaalsContact O-N 3.16Å; D202-T206 PolarHBondContact O-OG1 3.47Å; L203-T206 PolarHBondContact O-N 3.15Å; T206-L224 HydrophobicContact CG2-CD2 4.02Å; T206-V246 HydrophobicContact CG2-CB 4.28Å; T206-A249 HydrophobicContact CG2-CB 3.53Å
207	L	93.6	Very high	92.7	Very high	25 Å²	25	56.1 Å²	56.1	13%	0.131	29%	0.285	C	S	.	.	S	Bend	trans	50.1	50.1	-176.4	-54.7	-175.9	0	0	0	114.4	F88 N209 N210 F213 V246 A249 I250	F88-L207 HydrophobicContact CE1-CD2 4.18Å; F88-L207 HydrophobicContact CZ-CD2 4.44Å; L207-N209 PolarHBondContact O-N 3.26Å; L207-N209 VanDerWaalsContact O-N 3.08Å; L207-N210 HydrophobicContact CB-CB 4.04Å; L207-N210 WeakPolarHBondContact O-CB 3.21Å; L207-N210 PolarHBondContact O-N 2.9Å; L207-F213 HydrophobicContact CB-CB 4.44Å; L207-F213 HydrophobicContact CB-CD2 4.18Å; L207-F213 HydrophobicContact CB-CG 4.48Å; L207-F213 HydrophobicContact CD1-CD2 4.19Å; L207-F213 HydrophobicContact CD1-CE2 4.14Å; L207-V246 HydrophobicContact CD2-CG2 4.07Å; L207-A249 HydrophobicContact CD1-CB 3.65Å; L207-A249 HydrophobicContact CG-CB 4.08Å; L207-I250 HydrophobicContact CD1-CG1 3.88Å; L207-I250 HydrophobicContact CD2-CG1 4.45Å
208	P	92.4	Very high	92.9	Very high	66 Å²	66	52 Å²	52	43%	0.429	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.4	-173.9	26.9	-36	0	0	0	113.6	R205 N210	R205-P208 WeakPolarHBondContact O-CD 3.22Å; P208-N210 VanDerWaalsContact C-N 3.3Å
209	N	91	Very high	93	Very high	98 Å²	98	50.9 Å²	50.9	52%	0.524	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.4	178.2	-65.8	-15	0	0	0	113.4	K89 L207	K89-N209 WeakPolarHBondContact CG-O 3.29Å; K89-N209 PolarHBondContact N-O 3.46Å; L207-N209 PolarHBondContact O-N 3.26Å; L207-N209 VanDerWaalsContact O-N 3.08Å
210	N	93.7	Very high	93.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-96	132.8	176.1	-170.4	-71.9	0	0	0	110.7	F86 G87 F88 L207 P208 C212 F213 S214	F86-N210 PolarHBondContact O-ND2 3.06Å; G87-N210 WeakPolarHBondContact O-CA 3.36Å; F88-N210 HydrophobicContact CD1-CB 3.9Å; F88-N210 HydrophobicContact CE1-CB 3.85Å; L207-N210 HydrophobicContact CB-CB 4.04Å; L207-N210 WeakPolarHBondContact O-CB 3.21Å; L207-N210 PolarHBondContact O-N 2.9Å; P208-N210 VanDerWaalsContact C-N 3.3Å; N210-C212 PolarHBondContact O-N 2.93Å; N210-C212 VanDerWaalsContact O-N 3.11Å; N210-C212 WeakPolarHBondContact OD1-CB 3.31Å; N210-C212 PolarHBondContact OD1-N 2.98Å; N210-F213 HydrophobicContact CB-CD2 4.18Å; N210-F213 PolarHBondContact O-N 3.33Å; N210-F213 VanDerWaalsContact O-N 3.08Å; N210-S214 PolarHBondContact O-N 3.23Å; N210-S214 VanDerWaalsContact O-N 3.12Å
211	I	91.8	Very high	93.2	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.067	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.8	-175.7	62.2	155.3	0	0	0	113.9	C60 I68 P69 L72 C83 G87 K89 F213	C60-I211 WeakPolarHBondContact SG-CD1 3.17Å; I68-I211 HydrophobicContact CG2-CD1 4.43Å; P69-I211 WeakPolarHBondContact CG-O 3.3Å; L72-I211 HydrophobicContact CD1-CB 4.29Å; L72-I211 HydrophobicContact CD1-CD1 3.67Å; C83-I211 HydrophobicContact CB-CG2 4.47Å; G87-I211 PolarHBondContact O-N 3.02Å; K89-I211 HydrophobicContact CG-CG2 4.19Å; I211-F213 VanDerWaalsContact C-N 3.3Å
212	C	93.4	Very high	93.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-14.9	-178.7	-63.7	0	0	0	0	112.8	V67 N210 S218 G220 L253	V67-C212 HydrophobicContact CG1-CB 4.28Å; V67-C212 HydrophobicContact CG2-CB 4.25Å; V67-C212 PolarHBondContact O-SG 3.24Å; N210-C212 PolarHBondContact O-N 2.93Å; N210-C212 VanDerWaalsContact O-N 3.11Å; N210-C212 WeakPolarHBondContact OD1-CB 3.31Å; N210-C212 PolarHBondContact OD1-N 2.98Å; C212-S218 WeakPolarHBondContact O-CB 3.1Å; C212-G220 VanDerWaalsContact O-CA 3.28Å; C212-G220 WeakPolarHBondContact O-CA 3.34Å; C212-G220 PolarHBondContact O-N 3.12Å; C212-L253 HydrophobicContact CB-CD2 4.21Å
213	F	94.9	Very high	93.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	1.6	-174.2	-58.2	-83.1	0	0	0	113.7	L207 N210 I211 H215 G220 V221 L224 A249 L252 L253	L207-F213 HydrophobicContact CB-CB 4.44Å; L207-F213 HydrophobicContact CB-CD2 4.18Å; L207-F213 HydrophobicContact CB-CG 4.48Å; L207-F213 HydrophobicContact CD1-CD2 4.19Å; L207-F213 HydrophobicContact CD1-CE2 4.14Å; N210-F213 HydrophobicContact CB-CD2 4.18Å; N210-F213 PolarHBondContact O-N 3.33Å; N210-F213 VanDerWaalsContact O-N 3.08Å; I211-F213 VanDerWaalsContact C-N 3.3Å; F213-H215 PolarHBondContact O-N 3.03Å; F213-G220 VanDerWaalsContact CE1-C 3.42Å; F213-G220 WeakPolarHBondContact CE1-O 3.19Å; F213-V221 HydrophobicContact CB-CG2 4.45Å; F213-V221 HydrophobicContact CD1-CG2 4.46Å; F213-L224 HydrophobicContact CD1-CD2 4.38Å; F213-L224 HydrophobicContact CE1-CB 4.28Å; F213-L224 HydrophobicContact CE1-CD2 4.44Å; F213-A249 HydrophobicContact CD1-CB 4.39Å; F213-A249 HydrophobicContact CE1-CB 3.88Å; F213-A249 HydrophobicContact CE2-CB 4.21Å; F213-A249 HydrophobicContact CZ-CB 3.79Å; F213-A249 VanDerWaalsContact CZ-O 3.26Å; F213-A249 WeakPolarHBondContact CZ-O 3.2Å; F213-L252 HydrophobicContact CE1-CD1 4.33Å; F213-L252 HydrophobicContact CZ-CB 4.07Å; F213-L252 HydrophobicContact CZ-CD1 4.45Å; F213-L253 HydrophobicContact CE2-CD2 3.77Å; F213-L253 HydrophobicContact CE2-CG 4.24Å
214	S	89.1	Confident	93.5	Very high	32 Å²	32	45.3 Å²	45.3	22%	0.224	24%	0.238	C	C	.	.	S	Bend	trans	-74.6	-16.9	-170.3	64.8	0	0	0	0	115.7	N210	N210-S214 PolarHBondContact O-N 3.23Å; N210-S214 VanDerWaalsContact O-N 3.12Å
215	H	89.2	Confident	93.6	Very high	103 Å²	103	42.9 Å²	42.9	48%	0.477	22%	0.221	S	C	.	.	S	Bend	trans	-129.8	148.9	179.8	-55.6	-71.4	0	0	0	111.7	F213 D217 S218 V221	F213-H215 PolarHBondContact O-N 3.03Å; H215-D217 WeakPolarHBondContact CB-OD1 3.22Å; H215-D217 PolarHBondContact O-N 3.19Å; H215-S218 WeakPolarHBondContact CA-OG 3.43Å; H215-S218 WeakPolarHBondContact CB-OG 3.24Å; H215-S218 PolarHBondContact N-OG 2.97Å; H215-S218 VanDerWaalsContact N-OG 3.13Å; H215-S218 WeakPolarHBondContact O-CB 3.27Å; H215-S218 PolarHBondContact O-N 3.3Å; H215-S218 PolarHBondContact O-OG 2.86Å; H215-V221 WeakPolarHBondContact O-CG2 3.33Å
216	G	88.7	Confident	93.7	Very high	42 Å²	42	40.5 Å²	40.5	43%	0.433	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21	-176.9	0	0	0	0	0	115.6
217	D	90.5	Very high	93.8	Very high	114 Å²	114	39.9 Å²	39.9	61%	0.61	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-5.6	173.9	66	-28.3	0	0	0	113.6	H215 K222	H215-D217 WeakPolarHBondContact CB-OD1 3.22Å; H215-D217 PolarHBondContact O-N 3.19Å; D217-K222 WeakPolarHBondContact O-CE 3.4Å; D217-K222 PolarHBondContact O-NZ 3.15Å
218	S	93.2	Very high	93.9	Very high	11 Å²	11	38.9 Å²	38.9	8%	0.077	21%	0.206	C	C	.	.			trans	-57.9	142.6	179.3	-51.4	0	0	0	0	111.2	C212 H215 G220 V221 K222	C212-S218 WeakPolarHBondContact O-CB 3.1Å; H215-S218 WeakPolarHBondContact CA-OG 3.43Å; H215-S218 WeakPolarHBondContact CB-OG 3.24Å; H215-S218 PolarHBondContact N-OG 2.97Å; H215-S218 VanDerWaalsContact N-OG 3.13Å; H215-S218 WeakPolarHBondContact O-CB 3.27Å; H215-S218 PolarHBondContact O-N 3.3Å; H215-S218 PolarHBondContact O-OG 2.86Å; S218-G220 VanDerWaalsContact C-N 3.25Å; S218-G220 PolarHBondContact O-N 3.21Å; S218-V221 PolarHBondContact O-N 3.48Å; S218-K222 PolarHBondContact O-N 3.26Å
219	I	94.3	Very high	94	Very high	65 Å²	65	36.1 Å²	36.1	33%	0.333	19%	0.188	S	C	.	.	H	α-helix	trans	-59.6	-40.2	179.2	-60.2	169	0	0	0	110.4	V67 V221 K222 R223	V67-I219 HydrophobicContact CG2-CG2 4.42Å; I219-V221 PolarHBondContact O-N 3.01Å; I219-K222 PolarHBondContact O-N 2.88Å; I219-R223 HydrophobicContact CG2-CG 4.27Å; I219-R223 WeakPolarHBondContact O-CG 3.24Å; I219-R223 PolarHBondContact O-N 3.49Å
220	G	96	Very high	94.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.1	-43	177.3	0	0	0	0	0	113	C212 F213 S218 K222 R223 L224	C212-G220 VanDerWaalsContact O-CA 3.28Å; C212-G220 WeakPolarHBondContact O-CA 3.34Å; C212-G220 PolarHBondContact O-N 3.12Å; F213-G220 VanDerWaalsContact CE1-C 3.42Å; F213-G220 WeakPolarHBondContact CE1-O 3.19Å; S218-G220 VanDerWaalsContact C-N 3.25Å; S218-G220 PolarHBondContact O-N 3.21Å; G220-K222 PolarHBondContact O-N 3.16Å; G220-R223 PolarHBondContact O-N 2.92Å; G220-L224 WeakPolarHBondContact O-CB 3.32Å; G220-L224 PolarHBondContact O-N 3.43Å
221	V	97.1	Very high	94	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.7	-40.9	176.3	173.8	0	0	0	0	111.7	L203 L204 F213 H215 S218 I219 R225	L203-V221 HydrophobicContact CB-CG1 4.11Å; L203-V221 HydrophobicContact CD1-CG1 4.29Å; L204-V221 HydrophobicContact CD2-CG2 4.48Å; F213-V221 HydrophobicContact CB-CG2 4.45Å; F213-V221 HydrophobicContact CD1-CG2 4.46Å; H215-V221 WeakPolarHBondContact O-CG2 3.33Å; S218-V221 PolarHBondContact O-N 3.48Å; I219-V221 PolarHBondContact O-N 3.01Å; V221-R225 PolarHBondContact O-N 3.17Å
222	K	95.8	Very high	94	Very high	104 Å²	104	31.6 Å²	31.6	45%	0.452	17%	0.165	S	C	.	.	H	α-helix	trans	-64.2	-46.5	177.6	-67.4	176	-177.2	168.8	0	111.9	D217 S218 I219 G220 R225 Q226	D217-K222 WeakPolarHBondContact O-CE 3.4Å; D217-K222 PolarHBondContact O-NZ 3.15Å; S218-K222 PolarHBondContact O-N 3.26Å; I219-K222 PolarHBondContact O-N 2.88Å; G220-K222 PolarHBondContact O-N 3.16Å; K222-R225 WeakPolarHBondContact O-CB 3.45Å; K222-R225 PolarHBondContact O-N 3.46Å; K222-Q226 WeakPolarHBondContact O-CG 3.47Å; K222-Q226 PolarHBondContact O-N 3.48Å; K222-Q226 VanDerWaalsContact O-N 3.15Å
223	R	97.2	Very high	93.7	Very high	35 Å²	35	35.2 Å²	35.2	13%	0.132	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-41.5	177.7	-66.7	-177.8	171.7	-163.9	-12.6	112	S66 I219 G220 R225 Q226 V227 L252 E256 E257	S66-R223 PolarHBondContact OG-NH1 3.42Å; S66-R223 PolarHBondContact OG-NH2 2.97Å; I219-R223 HydrophobicContact CG2-CG 4.27Å; I219-R223 WeakPolarHBondContact O-CG 3.24Å; I219-R223 PolarHBondContact O-N 3.49Å; G220-R223 PolarHBondContact O-N 2.92Å; R223-R225 PolarHBondContact O-N 3.26Å; R223-Q226 PolarHBondContact O-N 3.04Å; R223-V227 WeakPolarHBondContact O-CG2 3.41Å; R223-V227 PolarHBondContact O-N 3.37Å; R223-L252 HydrophobicContact CB-CD1 3.94Å; R223-L252 HydrophobicContact CB-CD2 3.87Å; R223-E256 IonicContact CZ-OE2 2.75Å; R223-E256 IonicContact NH1-OE1 2.69Å; R223-E256 IonicContact NH1-OE2 2.92Å; R223-E256 PolarHBondContact NH1-OE2 2.79Å; R223-E256 IonicContact NH2-OE2 3.68Å; R223-E256 PolarHBondContact NH2-OE2 2.84Å; R223-E257 HydrophobicContact CB-CB 4.32Å; R223-E257 HydrophobicContact CG-CB 4.44Å; R223-E257 WeakPolarHBondContact CG-OE2 3.28Å
224	L	98	Very high	93.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.6	-48.5	175.5	177.1	59.4	0	0	0	111.2	L203 T206 F213 G220 Q226 V227 L228 G245 V248 A249 L252	L203-L224 HydrophobicContact CD2-CB 4.26Å; L203-L224 HydrophobicContact CD2-CD2 3.79Å; L203-L224 HydrophobicContact CD2-CG 3.66Å; T206-L224 HydrophobicContact CG2-CD2 4.02Å; F213-L224 HydrophobicContact CD1-CD2 4.38Å; F213-L224 HydrophobicContact CE1-CB 4.28Å; F213-L224 HydrophobicContact CE1-CD2 4.44Å; G220-L224 WeakPolarHBondContact O-CB 3.32Å; G220-L224 PolarHBondContact O-N 3.43Å; L224-Q226 PolarHBondContact O-N 2.72Å; L224-V227 PolarHBondContact O-N 2.94Å; L224-L228 HydrophobicContact CD1-CD1 3.79Å; L224-L228 HydrophobicContact CD1-CG 4.09Å; L224-L228 HydrophobicContact CG-CD1 4.03Å; L224-L228 WeakPolarHBondContact O-CB 3.41Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.49Å; L224-L228 PolarHBondContact O-N 2.84Å; L224-G245 WeakPolarHBondContact CD1-O 3.36Å; L224-V248 HydrophobicContact CD1-CB 3.65Å; L224-V248 HydrophobicContact CD1-CG1 3.46Å; L224-V248 VanDerWaalsContact CD1-CG1 3.46Å; L224-A249 HydrophobicContact CD1-CB 4.31Å; L224-A249 HydrophobicContact CD2-CB 4.34Å; L224-L252 HydrophobicContact CB-CD1 4.01Å
225	R	96.5	Very high	92.7	Very high	53 Å²	53	34.5 Å²	34.5	20%	0.2	17%	0.172	C	C	.	.	H	α-helix	trans	-55.6	-51.3	174.9	-179.8	-173.6	-70	102.1	-2.2	111.9	E200 L203 V221 K222 R223 V227 L228 H229	E200-R225 VanDerWaalsContact OE1-CD 3.32Å; E200-R225 WeakPolarHBondContact OE1-CD 3.26Å; E200-R225 IonicContact OE1-CZ 2.68Å; E200-R225 IonicContact OE1-NE 2.92Å; E200-R225 PolarHBondContact OE1-NE 3.09Å; E200-R225 IonicContact OE1-NH2 3.79Å; E200-R225 IonicContact OE2-CZ 2.73Å; E200-R225 IonicContact OE2-NE 3.53Å; E200-R225 PolarHBondContact OE2-NE 3.32Å; E200-R225 IonicContact OE2-NH2 3.67Å; E200-R225 PolarHBondContact OE2-NH2 3.14Å; L203-R225 HydrophobicContact CD1-CB 3.82Å; L203-R225 HydrophobicContact CD1-CG 4.15Å; L203-R225 HydrophobicContact CD2-CB 4.18Å; V221-R225 PolarHBondContact O-N 3.17Å; K222-R225 WeakPolarHBondContact O-CB 3.45Å; K222-R225 PolarHBondContact O-N 3.46Å; R223-R225 PolarHBondContact O-N 3.26Å; R225-V227 PolarHBondContact O-N 3.07Å; R225-L228 PolarHBondContact O-N 2.63Å; R225-H229 VanDerWaalsContact CG-CE1 3.42Å; R225-H229 WeakPolarHBondContact CG-CE1 3.44Å; R225-H229 WeakPolarHBondContact O-CB 3.24Å; R225-H229 VanDerWaalsContact O-CG 3.26Å; R225-H229 PolarHBondContact O-N 3.18Å
226	Q	95.8	Very high	92.2	Very high	77 Å²	77	31.9 Å²	31.9	36%	0.36	16%	0.164	S	C	.	.	H	α-helix	trans	-63.2	-42.9	-176.1	-72.1	179.5	-3.4	0	0	112.5	L185 K222 R223 L224 H229 A230 E257	L185-Q226 HydrophobicContact CD2-CB 4.06Å; K222-Q226 WeakPolarHBondContact O-CG 3.47Å; K222-Q226 PolarHBondContact O-N 3.48Å; K222-Q226 VanDerWaalsContact O-N 3.15Å; R223-Q226 PolarHBondContact O-N 3.04Å; L224-Q226 PolarHBondContact O-N 2.72Å; Q226-H229 PolarHBondContact O-N 3.1Å; Q226-A230 WeakPolarHBondContact O-CB 3.43Å; Q226-A230 PolarHBondContact O-N 3.39Å; Q226-E257 PolarHBondContact OE1-OE2 2.87Å; Q226-E257 VanDerWaalsContact OE1-OE2 3.07Å
227	V	97.6	Very high	91.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65	-45.5	177.2	174.8	0	0	0	0	111	R223 L224 R225 H229 A230 L231 V248 E257 V260 F261	R223-V227 WeakPolarHBondContact O-CG2 3.41Å; R223-V227 PolarHBondContact O-N 3.37Å; L224-V227 PolarHBondContact O-N 2.94Å; R225-V227 PolarHBondContact O-N 3.07Å; V227-H229 PolarHBondContact O-N 3.46Å; V227-A230 PolarHBondContact O-N 2.53Å; V227-L231 HydrophobicContact CG1-CD1 3.94Å; V227-L231 HydrophobicContact CG1-CG 4.38Å; V227-L231 VanDerWaalsContact O-CG 3.31Å; V227-L231 WeakPolarHBondContact O-CG 3.42Å; V227-L231 PolarHBondContact O-N 2.88Å; V227-V248 HydrophobicContact CB-CG1 3.86Å; V227-V248 HydrophobicContact CG1-CG1 3.66Å; V227-V248 HydrophobicContact CG1-CG2 4.32Å; V227-E257 HydrophobicContact CG2-CB 3.84Å; V227-E257 WeakPolarHBondContact CG2-O 3.35Å; V227-V260 HydrophobicContact CG1-CG1 4.23Å; V227-F261 HydrophobicContact CG1-CB 4.26Å
228	L	96.6	Very high	91.1	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-39.2	178.5	-69.4	175.9	0	0	0	112.2	I199 L203 L224 R225 L231 S232 Y240 M244 V248	I199-L228 HydrophobicContact CD1-CB 3.92Å; I199-L228 HydrophobicContact CG1-CB 4.28Å; I199-L228 HydrophobicContact CG2-CB 4.04Å; I199-L228 HydrophobicContact CG2-CD1 3.92Å; L203-L228 HydrophobicContact CD2-CD1 4.27Å; L224-L228 HydrophobicContact CD1-CD1 3.79Å; L224-L228 HydrophobicContact CD1-CG 4.09Å; L224-L228 HydrophobicContact CG-CD1 4.03Å; L224-L228 WeakPolarHBondContact O-CB 3.41Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.49Å; L224-L228 PolarHBondContact O-N 2.84Å; R225-L228 PolarHBondContact O-N 2.63Å; L228-L231 PolarHBondContact O-N 3.42Å; L228-S232 WeakPolarHBondContact O-CB 3.39Å; L228-S232 PolarHBondContact O-N 3.08Å; L228-S232 PolarHBondContact O-OG 2.98Å; L228-Y240 HydrophobicContact CD1-CE2 3.88Å; L228-Y240 HydrophobicContact CD2-CD2 4.07Å; L228-Y240 HydrophobicContact CD2-CE2 3.8Å; L228-Y240 HydrophobicContact CG-CE2 4.39Å; L228-M244 HydrophobicContact CD2-CB 4.19Å; L228-V248 HydrophobicContact CD2-CG2 3.81Å
229	H	94.1	Very high	90.7	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.037	14%	0.14	C	C	.	.	H	α-helix	trans	-65.5	-40.4	173.1	-71.9	175.8	0	0	0	112.6	V188 F196 R225 Q226 V227 L231 S232 Y233	V188-H229 HydrophobicContact CG1-CB 3.97Å; F196-H229 AromaticContact CD1-CD2 3.96Å; F196-H229 AromaticContact CD1-CE1 3.26Å; F196-H229 WeakPolarHBondContact CD1-CE1 3.45Å; F196-H229 AromaticContact CD1-ND1 3.93Å; F196-H229 AromaticContact CD1-NE2 3.28Å; F196-H229 VanDerWaalsContact CD1-NE2 3.28Å; F196-H229 WeakPolarHBondContact CD1-NE2 3.44Å; F196-H229 AromaticContact CE1-CD2 3.85Å; F196-H229 AromaticContact CE1-CE1 3.17Å; F196-H229 WeakPolarHBondContact CE1-CE1 3.09Å; F196-H229 AromaticContact CE1-CG 3.79Å; F196-H229 AromaticContact CE1-ND1 3.36Å; F196-H229 WeakPolarHBondContact CE1-ND1 3.08Å; F196-H229 AromaticContact CE1-NE2 3.51Å; F196-H229 AromaticContact CG-NE2 3.75Å; F196-H229 HydrophobicContact CZ-CB 4.45Å; F196-H229 AromaticContact CZ-CG 3.95Å; F196-H229 AromaticContact CZ-ND1 3.93Å; R225-H229 VanDerWaalsContact CG-CE1 3.42Å; R225-H229 WeakPolarHBondContact CG-CE1 3.44Å; R225-H229 WeakPolarHBondContact O-CB 3.24Å; R225-H229 VanDerWaalsContact O-CG 3.26Å; R225-H229 PolarHBondContact O-N 3.18Å; Q226-H229 PolarHBondContact O-N 3.1Å; V227-H229 PolarHBondContact O-N 3.46Å; H229-L231 VanDerWaalsContact C-N 3.35Å; H229-S232 PolarHBondContact O-N 3.42Å; H229-S232 PolarHBondContact O-OG 3.5Å; H229-Y233 WeakPolarHBondContact O-CB 3.28Å; H229-Y233 PolarHBondContact O-N 3.44Å
230	A	93.2	Very high	90.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.7	-41.1	175.9	0	0	0	0	0	111.5	Y181 I184 L185 Q226 V227 Y233 V234 F261	Y181-A230 HydrophobicContact CD2-CB 4.07Å; Y181-A230 HydrophobicContact CE2-CB 3.6Å; I184-A230 HydrophobicContact CG2-CB 3.82Å; L185-A230 HydrophobicContact CD2-CB 4.2Å; Q226-A230 WeakPolarHBondContact O-CB 3.43Å; Q226-A230 PolarHBondContact O-N 3.39Å; V227-A230 PolarHBondContact O-N 2.53Å; A230-Y233 PolarHBondContact O-N 2.93Å; A230-V234 WeakPolarHBondContact O-CB 3.41Å; A230-V234 WeakPolarHBondContact O-CG2 3.43Å; A230-V234 PolarHBondContact O-N 2.89Å; A230-F261 HydrophobicContact CB-CD2 3.75Å; A230-F261 HydrophobicContact CB-CE2 3.84Å
231	L	92.1	Very high	90.2	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-64.3	-44.6	175.6	-71.2	168.1	0	0	0	111.8	V227 L228 H229 Y233 V234 F235 V248 F261 M264	V227-L231 HydrophobicContact CG1-CD1 3.94Å; V227-L231 HydrophobicContact CG1-CG 4.38Å; V227-L231 VanDerWaalsContact O-CG 3.31Å; V227-L231 WeakPolarHBondContact O-CG 3.42Å; V227-L231 PolarHBondContact O-N 2.88Å; L228-L231 PolarHBondContact O-N 3.42Å; H229-L231 VanDerWaalsContact C-N 3.35Å; L231-Y233 VanDerWaalsContact C-N 3.31Å; L231-Y233 PolarHBondContact O-N 3.29Å; L231-V234 PolarHBondContact O-N 3.04Å; L231-F235 HydrophobicContact CD2-CD2 4.37Å; L231-F235 HydrophobicContact CD2-CE2 4.16Å; L231-F235 WeakPolarHBondContact O-CD2 3.41Å; L231-F235 PolarHBondContact O-N 3.37Å; L231-V248 HydrophobicContact CD1-CG2 4.29Å; L231-F261 HydrophobicContact CD2-CD2 4Å; L231-F261 HydrophobicContact CD2-CE2 4.07Å; L231-F261 HydrophobicContact CG-CD2 4.16Å; L231-F261 HydrophobicContact CG-CE2 4.44Å; L231-M264 HydrophobicContact CD1-CB 3.59Å; L231-M264 HydrophobicContact CD1-CE 4.32Å; L231-M264 HydrophobicContact CD1-CG 4Å; L231-M264 HydrophobicContact CD2-CB 3.8Å; L231-M264 HydrophobicContact CG-CB 4.31Å
232	S	89.9	Confident	89.8	Confident	11 Å²	11	34.2 Å²	34.2	8%	0.077	16%	0.161	C	C	.	.	H	α-helix	trans	-66.3	-34.1	179.5	70.9	0	0	0	0	112.8	L228 H229 F235 P236 G239	L228-S232 WeakPolarHBondContact O-CB 3.39Å; L228-S232 PolarHBondContact O-N 3.08Å; L228-S232 PolarHBondContact O-OG 2.98Å; H229-S232 PolarHBondContact O-N 3.42Å; H229-S232 PolarHBondContact O-OG 3.5Å; S232-F235 CarbonylContact O-C 3.18Å; S232-P236 WeakPolarHBondContact O-CA 3.28Å; S232-G239 WeakPolarHBondContact CA-O 3.37Å; S232-G239 WeakPolarHBondContact CB-O 3.37Å
233	Y	87.2	Confident	89.4	Confident	75 Å²	75	29.8 Å²	29.8	29%	0.294	15%	0.145	S	C	.	.	H	α-helix	trans	-67.3	-41.7	173.3	179.7	-92	0	0	0	112.5	I184 K187 V188 H229 A230 L231 L440	I184-Y233 HydrophobicContact CG2-CD1 3.79Å; I184-Y233 HydrophobicContact CG2-CE1 4.46Å; I184-Y233 HydrophobicContact CG2-CG 4.42Å; K187-Y233 HydrophobicContact CB-CE1 4.31Å; K187-Y233 HydrophobicContact CB-CE2 4.27Å; V188-Y233 HydrophobicContact CG2-CD1 4.37Å; V188-Y233 HydrophobicContact CG2-CD2 4.03Å; V188-Y233 HydrophobicContact CG2-CG 3.75Å; H229-Y233 WeakPolarHBondContact O-CB 3.28Å; H229-Y233 PolarHBondContact O-N 3.44Å; A230-Y233 PolarHBondContact O-N 2.93Å; L231-Y233 VanDerWaalsContact C-N 3.31Å; L231-Y233 PolarHBondContact O-N 3.29Å; Y233-L440 WeakPolarHBondContact O-CD1 3.42Å
234	V	83.1	Confident	89.3	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-74.3	-36	-179.7	167.2	0	0	0	0	112	I184 A230 L231 P236 F261 F265	I184-V234 HydrophobicContact CD1-CG2 3.57Å; I184-V234 HydrophobicContact CG1-CG2 4.21Å; I184-V234 HydrophobicContact CG2-CG2 4.32Å; A230-V234 WeakPolarHBondContact O-CB 3.41Å; A230-V234 WeakPolarHBondContact O-CG2 3.43Å; A230-V234 PolarHBondContact O-N 2.89Å; L231-V234 PolarHBondContact O-N 3.04Å; V234-P236 VanDerWaalsContact O-CD 3.22Å; V234-P236 WeakPolarHBondContact O-CD 3.18Å; V234-F261 HydrophobicContact CG2-CE2 4.14Å; V234-F261 HydrophobicContact CG2-CZ 3.98Å; V234-F265 HydrophobicContact CG1-CD2 3.89Å; V234-F265 HydrophobicContact CG1-CE2 3.37Å; V234-F265 HydrophobicContact CG1-CZ 4.21Å
235	F	81.4	Confident	89.3	Confident	15 Å²	15	28.4 Å²	28.4	7%	0.066	14%	0.14	C	C	.	.			trans	-116.6	70.3	179.9	-58.3	-75	0	0	0	111.1	L231 S232 E237 I238 G239 F265 V268	L231-F235 HydrophobicContact CD2-CD2 4.37Å; L231-F235 HydrophobicContact CD2-CE2 4.16Å; L231-F235 WeakPolarHBondContact O-CD2 3.41Å; L231-F235 PolarHBondContact O-N 3.37Å; S232-F235 CarbonylContact O-C 3.18Å; F235-E237 VanDerWaalsContact C-N 3.26Å; F235-E237 PolarHBondContact O-N 3.26Å; F235-I238 HydrophobicContact CB-CB 3.99Å; F235-I238 HydrophobicContact CB-CD1 3.87Å; F235-I238 HydrophobicContact CB-CG1 4.14Å; F235-I238 HydrophobicContact CD1-CD1 4.35Å; F235-I238 HydrophobicContact CG-CD1 4.16Å; F235-I238 WeakPolarHBondContact O-CA 3.18Å; F235-I238 WeakPolarHBondContact O-CB 3.29Å; F235-I238 PolarHBondContact O-N 2.74Å; F235-G239 PolarHBondContact O-N 2.77Å; F235-F265 AromaticContact CE2-CD2 3.92Å; F235-F265 HydrophobicContact CE2-CD2 3.92Å; F235-F265 HydrophobicContact CE2-CE2 4.35Å; F235-F265 HydrophobicContact CE2-CG 4.1Å; F235-F265 HydrophobicContact CZ-CD1 4.01Å; F235-F265 AromaticContact CZ-CD2 3.91Å; F235-F265 HydrophobicContact CZ-CD2 3.91Å; F235-F265 HydrophobicContact CZ-CE1 4.17Å; F235-F265 HydrophobicContact CZ-CE2 4.06Å; F235-F265 AromaticContact CZ-CG 3.89Å; F235-F265 HydrophobicContact CZ-CG 3.89Å; F235-F265 HydrophobicContact CZ-CZ 4.18Å; F235-V268 HydrophobicContact CD1-CG1 4.27Å; F235-V268 HydrophobicContact CD2-CG1 4.32Å; F235-V268 HydrophobicContact CE1-CG1 4.17Å; F235-V268 HydrophobicContact CE2-CB 4.45Å; F235-V268 HydrophobicContact CE2-CG1 4.23Å; F235-V268 HydrophobicContact CG-CG1 4.35Å; F235-V268 HydrophobicContact CZ-CB 4.48Å; F235-V268 HydrophobicContact CZ-CG1 4.15Å
236	P	77.4	Confident	89.3	Confident	49 Å²	49	26.7 Å²	26.7	32%	0.318	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.9	-174.6	24.5	-34.6	0	0	0	113.8	S232 V234 I238 G239 L440	S232-P236 WeakPolarHBondContact O-CA 3.28Å; V234-P236 VanDerWaalsContact O-CD 3.22Å; V234-P236 WeakPolarHBondContact O-CD 3.18Å; P236-I238 PolarHBondContact O-N 3.4Å; P236-G239 PolarHBondContact O-N 3.36Å; P236-L440 HydrophobicContact CG-CD1 4.27Å
237	E	73.1	Confident	89.5	Confident	83 Å²	83	23 Å²	23	39%	0.388	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.2	175	-59.5	-62.2	163.5	0	0	113	F235	F235-E237 VanDerWaalsContact C-N 3.26Å; F235-E237 PolarHBondContact O-N 3.26Å
238	I	82.7	Confident	89.5	Confident	28 Å²	28	23 Å²	23	14%	0.144	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-44.5	172	-63.7	175.7	0	0	0	109.2	F235 P236 Y240 M244 V268 S278	F235-I238 HydrophobicContact CB-CB 3.99Å; F235-I238 HydrophobicContact CB-CD1 3.87Å; F235-I238 HydrophobicContact CB-CG1 4.14Å; F235-I238 HydrophobicContact CD1-CD1 4.35Å; F235-I238 HydrophobicContact CG-CD1 4.16Å; F235-I238 WeakPolarHBondContact O-CA 3.18Å; F235-I238 WeakPolarHBondContact O-CB 3.29Å; F235-I238 PolarHBondContact O-N 2.74Å; P236-I238 PolarHBondContact O-N 3.4Å; I238-Y240 PolarHBondContact O-N 3.36Å; I238-M244 HydrophobicContact CG2-CE 3.65Å; I238-M244 HydrophobicContact CG2-SD 4.46Å; I238-V268 HydrophobicContact CD1-CG1 3.32Å; I238-S278 WeakPolarHBondContact CG1-OG 3.46Å
239	G	85	Confident	89.6	Confident	8 Å²	8	22.9 Å²	22.9	8%	0.082	12%	0.118	C	C	.	.			trans	61.4	-102.7	-170.4	0	0	0	0	0	109.6	S232 F235 P236	S232-G239 WeakPolarHBondContact CA-O 3.37Å; S232-G239 WeakPolarHBondContact CB-O 3.37Å; F235-G239 PolarHBondContact O-N 2.77Å; P236-G239 PolarHBondContact O-N 3.36Å
240	Y	90.5	Very high	89.8	Confident	20 Å²	20	22.5 Å²	22.5	8%	0.078	12%	0.116	C	C	.	.			trans	-137.8	121.8	175	174.5	-109.8	0	0	0	110	Q198 I199 D202 L228 I238 M244	Q198-Y240 HydrophobicContact CB-CD1 4.01Å; I199-Y240 HydrophobicContact CD1-CD2 4.22Å; I199-Y240 HydrophobicContact CD1-CG 4.17Å; I199-Y240 HydrophobicContact CG1-CD1 3.9Å; I199-Y240 HydrophobicContact CG1-CD2 3.66Å; I199-Y240 HydrophobicContact CG1-CE1 4.37Å; I199-Y240 HydrophobicContact CG1-CE2 4.17Å; I199-Y240 HydrophobicContact CG1-CG 3.51Å; D202-Y240 HydrophobicContact CB-CE1 4.29Å; D202-Y240 WeakPolarHBondContact CB-OH 3.28Å; D202-Y240 VanDerWaalsContact OD2-CE1 3.22Å; D202-Y240 WeakPolarHBondContact OD2-CE1 3.37Å; D202-Y240 PolarHBondContact OD2-OH 2.71Å; L228-Y240 HydrophobicContact CD1-CE2 3.88Å; L228-Y240 HydrophobicContact CD2-CD2 4.07Å; L228-Y240 HydrophobicContact CD2-CE2 3.8Å; L228-Y240 HydrophobicContact CG-CE2 4.39Å; I238-Y240 PolarHBondContact O-N 3.36Å; Y240-M244 HydrophobicContact CE2-CB 4.16Å
241	C	89.5	Confident	90	Very high	15 Å²	15	22.5 Å²	22.5	10%	0.101	12%	0.116	C	C	.	.			trans	-99.7	128.3	170.6	-177.3	0	0	0	0	109.9	G243 M244 Y277	C241-G243 PolarHBondContact O-N 3.15Å; C241-M244 HydrophobicContact CB-CE 4.39Å; C241-M244 HydrophobicContact CB-CG 4.33Å; C241-M244 HydrophobicContact CB-SD 4.39Å; C241-M244 WeakPolarHBondContact O-CB 3.46Å; C241-M244 WeakPolarHBondContact O-CG 3.16Å; C241-M244 PolarHBondContact O-N 3.29Å; C241-Y277 HydrophobicContact CB-CD1 3.66Å; C241-Y277 HydrophobicContact CB-CG 4.11Å
242	Q	88.6	Confident	90.3	Very high	126 Å²	126	22.2 Å²	22.2	59%	0.589	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	128.7	173	-173.6	178.5	-8.8	0	0	109.8	R205	R205-Q242 VanDerWaalsContact NH2-CD 3.27Å; R205-Q242 VanDerWaalsContact NH2-NE2 3.1Å
243	G	88.8	Confident	90.6	Very high	11 Å²	11	21.7 Å²	21.7	11%	0.113	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.8	-25.9	-171.7	0	0	0	0	0	113.6	C241 G245 V246	C241-G243 PolarHBondContact O-N 3.15Å; G243-G245 VanDerWaalsContact C-N 3.34Å; G243-G245 PolarHBondContact O-N 3.14Å; G243-V246 WeakPolarHBondContact O-CG1 3.43Å
244	M	95.3	Very high	91	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.025	10%	0.099	C	C	.	.	H	α-helix	trans	-63.6	-39	174	-71.7	-174.3	162.5	0	0	112.7	L228 I238 Y240 C241 V246 I247 V248 M264 V268 Y277	L228-M244 HydrophobicContact CD2-CB 4.19Å; I238-M244 HydrophobicContact CG2-CE 3.65Å; I238-M244 HydrophobicContact CG2-SD 4.46Å; Y240-M244 HydrophobicContact CE2-CB 4.16Å; C241-M244 HydrophobicContact CB-CE 4.39Å; C241-M244 HydrophobicContact CB-CG 4.33Å; C241-M244 HydrophobicContact CB-SD 4.39Å; C241-M244 WeakPolarHBondContact O-CB 3.46Å; C241-M244 WeakPolarHBondContact O-CG 3.16Å; C241-M244 PolarHBondContact O-N 3.29Å; M244-V246 VanDerWaalsContact C-N 3.31Å; M244-V246 PolarHBondContact O-N 3.17Å; M244-I247 PolarHBondContact O-N 3.07Å; M244-I247 VanDerWaalsContact O-N 3.17Å; M244-V248 VanDerWaalsContact O-CG2 3.26Å; M244-V248 WeakPolarHBondContact O-CG2 3.41Å; M244-V248 PolarHBondContact O-N 3.06Å; M244-M264 HydrophobicContact CB-CE 4.28Å; M244-M264 HydrophobicContact CG-CE 4.2Å; M244-V268 HydrophobicContact CE-CG2 3.85Å; M244-Y277 HydrophobicContact CE-CD1 3.92Å; M244-Y277 HydrophobicContact CE-CD2 3.26Å; M244-Y277 HydrophobicContact CE-CE1 4.41Å; M244-Y277 HydrophobicContact CE-CE2 3.81Å; M244-Y277 HydrophobicContact CE-CG 3.3Å; M244-Y277 HydrophobicContact CG-CD1 4.32Å; M244-Y277 HydrophobicContact CG-CE1 4.19Å
245	G	97.2	Very high	91.6	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-57.3	-41.5	-175.3	0	0	0	0	0	113.4	L224 G243 V248 A249	L224-G245 WeakPolarHBondContact CD1-O 3.36Å; G243-G245 VanDerWaalsContact C-N 3.34Å; G243-G245 PolarHBondContact O-N 3.14Å; G245-V248 PolarHBondContact O-N 3.38Å; G245-A249 WeakPolarHBondContact O-CB 3.29Å; G245-A249 PolarHBondContact O-N 2.86Å
246	V	97.3	Very high	92.3	Very high	17 Å²	17	21.3 Å²	21.3	10%	0.103	11%	0.112	C	C	.	.	H	α-helix	trans	-69.1	-36.9	179.3	57.2	0	0	0	0	112.3	T206 L207 G243 M244 A249 I250 T323 S326	T206-V246 HydrophobicContact CG2-CB 4.28Å; L207-V246 HydrophobicContact CD2-CG2 4.07Å; G243-V246 WeakPolarHBondContact O-CG1 3.43Å; M244-V246 VanDerWaalsContact C-N 3.31Å; M244-V246 PolarHBondContact O-N 3.17Å; V246-A249 PolarHBondContact O-N 2.82Å; V246-I250 HydrophobicContact CG2-CD1 4.33Å; V246-I250 WeakPolarHBondContact O-CG1 3.44Å; V246-I250 PolarHBondContact O-N 2.99Å; V246-T323 HydrophobicContact CG1-CG2 4.16Å; V246-S326 WeakPolarHBondContact CG1-OG 3.44Å; V246-S326 VanDerWaalsContact CG2-OG 3.31Å; V246-S326 WeakPolarHBondContact CG2-OG 3.42Å
247	I	98.4	Very high	93.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.8	-48	175.5	-58	166	0	0	0	109.8	M244 A249 I250 L251 M264 Y277 L324 W338	M244-I247 PolarHBondContact O-N 3.07Å; M244-I247 VanDerWaalsContact O-N 3.17Å; I247-A249 PolarHBondContact O-N 3.01Å; I247-I250 PolarHBondContact O-N 2.8Å; I247-L251 HydrophobicContact CG2-CD1 4.12Å; I247-L251 WeakPolarHBondContact O-CG 3.09Å; I247-L251 PolarHBondContact O-N 3.46Å; I247-M264 HydrophobicContact CB-SD 4.06Å; I247-M264 HydrophobicContact CG2-SD 3.5Å; I247-M264 WeakPolarHBondContact CG2-SD 3.32Å; I247-Y277 WeakPolarHBondContact CD1-OH 3.31Å; I247-L324 HydrophobicContact CD1-CB 4.42Å; I247-L324 HydrophobicContact CD1-CD1 3.88Å; I247-L324 HydrophobicContact CD1-CG 3.79Å; I247-L324 HydrophobicContact CG1-CD1 4.41Å; I247-L324 HydrophobicContact CG1-CG 4.44Å; I247-L324 HydrophobicContact CG2-CD1 4.22Å; I247-W338 HydrophobicContact CB-CH2 4.39Å; I247-W338 HydrophobicContact CG1-CZ2 4.47Å; I247-W338 HydrophobicContact CG2-CH2 3.81Å; I247-W338 HydrophobicContact CG2-CZ2 4.04Å
248	V	98.6	Very high	94.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-45.2	178.6	176.7	0	0	0	0	110.8	L224 V227 L228 L231 M244 G245 I250 L251 L252 V260 M264	L224-V248 HydrophobicContact CD1-CB 3.65Å; L224-V248 HydrophobicContact CD1-CG1 3.46Å; L224-V248 VanDerWaalsContact CD1-CG1 3.46Å; V227-V248 HydrophobicContact CB-CG1 3.86Å; V227-V248 HydrophobicContact CG1-CG1 3.66Å; V227-V248 HydrophobicContact CG1-CG2 4.32Å; L228-V248 HydrophobicContact CD2-CG2 3.81Å; L231-V248 HydrophobicContact CD1-CG2 4.29Å; M244-V248 VanDerWaalsContact O-CG2 3.26Å; M244-V248 WeakPolarHBondContact O-CG2 3.41Å; M244-V248 PolarHBondContact O-N 3.06Å; G245-V248 PolarHBondContact O-N 3.38Å; V248-I250 PolarHBondContact O-N 3.27Å; V248-L251 PolarHBondContact O-N 3.44Å; V248-L252 HydrophobicContact CG1-CD1 4.03Å; V248-L252 HydrophobicContact CG1-CG 4.43Å; V248-L252 WeakPolarHBondContact O-CB 3.4Å; V248-L252 WeakPolarHBondContact O-CG 3.37Å; V248-L252 PolarHBondContact O-N 3.13Å; V248-V260 HydrophobicContact CB-CG1 4.41Å; V248-V260 HydrophobicContact CG1-CG1 3.82Å; V248-M264 HydrophobicContact CG2-CE 4.17Å; V248-M264 HydrophobicContact CG2-CG 3.64Å; V248-M264 HydrophobicContact CG2-SD 4.03Å
249	A	98.3	Very high	94.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.2	-41.5	-179.7	0	0	0	0	0	112.4	T206 L207 F213 L224 G245 V246 I247 L252 L253	T206-A249 HydrophobicContact CG2-CB 3.53Å; L207-A249 HydrophobicContact CD1-CB 3.65Å; L207-A249 HydrophobicContact CG-CB 4.08Å; F213-A249 HydrophobicContact CD1-CB 4.39Å; F213-A249 HydrophobicContact CE1-CB 3.88Å; F213-A249 HydrophobicContact CE2-CB 4.21Å; F213-A249 HydrophobicContact CZ-CB 3.79Å; F213-A249 VanDerWaalsContact CZ-O 3.26Å; F213-A249 WeakPolarHBondContact CZ-O 3.2Å; L224-A249 HydrophobicContact CD1-CB 4.31Å; L224-A249 HydrophobicContact CD2-CB 4.34Å; G245-A249 WeakPolarHBondContact O-CB 3.29Å; G245-A249 PolarHBondContact O-N 2.86Å; V246-A249 PolarHBondContact O-N 2.82Å; I247-A249 PolarHBondContact O-N 3.01Å; A249-L252 PolarHBondContact O-N 2.81Å; A249-L253 PolarHBondContact O-N 2.94Å
250	I	98	Very high	95.5	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-66.8	-42.9	176.2	-65.6	-178.4	0	0	0	111.2	L207 V246 I247 V248 L252 L253 F254 F331 L334 W338	L207-I250 HydrophobicContact CD1-CG1 3.88Å; L207-I250 HydrophobicContact CD2-CG1 4.45Å; V246-I250 HydrophobicContact CG2-CD1 4.33Å; V246-I250 WeakPolarHBondContact O-CG1 3.44Å; V246-I250 PolarHBondContact O-N 2.99Å; I247-I250 PolarHBondContact O-N 2.8Å; V248-I250 PolarHBondContact O-N 3.27Å; I250-L252 VanDerWaalsContact C-N 3.27Å; I250-L252 PolarHBondContact O-N 3.06Å; I250-L253 WeakPolarHBondContact O-CB 3.25Å; I250-L253 PolarHBondContact O-N 2.84Å; I250-L253 VanDerWaalsContact O-N 3.11Å; I250-F254 HydrophobicContact CG2-CE2 4.19Å; I250-F254 VanDerWaalsContact O-CD2 3.31Å; I250-F254 WeakPolarHBondContact O-CD2 3.1Å; I250-F331 HydrophobicContact CB-CE2 4.43Å; I250-F331 HydrophobicContact CD1-CD2 4.43Å; I250-F331 HydrophobicContact CD1-CE2 3.91Å; I250-F331 HydrophobicContact CG1-CE2 3.95Å; I250-F331 HydrophobicContact CG2-CE2 3.76Å; I250-F331 HydrophobicContact CG2-CZ 3.88Å; I250-L334 HydrophobicContact CD1-CD2 3.5Å; I250-L334 VanDerWaalsContact CD1-CD2 3.5Å; I250-W338 HydrophobicContact CB-CH2 3.74Å; I250-W338 HydrophobicContact CB-CZ3 3.98Å; I250-W338 HydrophobicContact CD1-CH2 4.33Å; I250-W338 HydrophobicContact CG2-CE3 4.29Å; I250-W338 HydrophobicContact CG2-CH2 3.67Å; I250-W338 HydrophobicContact CG2-CZ3 3.46Å; I250-W338 VanDerWaalsContact CG2-CZ3 3.46Å
251	L	98.4	Very high	95.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.2	-37.8	176.5	-72	171.2	0	0	0	112	W164 I247 V248 L253 F254 M255 V260 M263 M264 W338 F342	W164-L251 HydrophobicContact CE3-CD2 3.92Å; W164-L251 HydrophobicContact CZ3-CD2 3.77Å; I247-L251 HydrophobicContact CG2-CD1 4.12Å; I247-L251 WeakPolarHBondContact O-CG 3.09Å; I247-L251 PolarHBondContact O-N 3.46Å; V248-L251 PolarHBondContact O-N 3.44Å; L251-L253 PolarHBondContact O-N 3.21Å; L251-F254 PolarHBondContact O-N 3.16Å; L251-M255 HydrophobicContact CD2-CE 4.11Å; L251-M255 PolarHBondContact O-N 3.01Å; L251-M255 VanDerWaalsContact O-N 3.16Å; L251-V260 HydrophobicContact CB-CB 4.28Å; L251-V260 HydrophobicContact CB-CG1 3.63Å; L251-V260 HydrophobicContact CB-CG2 3.8Å; L251-V260 HydrophobicContact CD1-CG1 4.03Å; L251-V260 HydrophobicContact CG-CG1 4.5Å; L251-M263 HydrophobicContact CD1-CB 3.94Å; L251-M263 HydrophobicContact CD2-CE 4.33Å; L251-M264 HydrophobicContact CD1-CG 4.21Å; L251-M264 HydrophobicContact CD1-SD 4.3Å; L251-W338 HydrophobicContact CD2-CE3 4.36Å; L251-W338 HydrophobicContact CD2-CZ3 3.84Å; L251-W338 HydrophobicContact CG-CH2 4.4Å; L251-W338 HydrophobicContact CG-CZ3 3.9Å; L251-F342 HydrophobicContact CD2-CE2 4.33Å; L251-F342 HydrophobicContact CD2-CZ 4.03Å
252	L	98.1	Very high	96.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.9	-18.4	176.4	-79	171.1	0	0	0	113.7	I64 F213 R223 L224 V248 A249 I250 F254 E257 V260	I64-L252 WeakPolarHBondContact CG2-O 3.45Å; F213-L252 HydrophobicContact CE1-CD1 4.33Å; F213-L252 HydrophobicContact CZ-CB 4.07Å; F213-L252 HydrophobicContact CZ-CD1 4.45Å; R223-L252 HydrophobicContact CB-CD1 3.94Å; R223-L252 HydrophobicContact CB-CD2 3.87Å; L224-L252 HydrophobicContact CB-CD1 4.01Å; V248-L252 HydrophobicContact CG1-CD1 4.03Å; V248-L252 HydrophobicContact CG1-CG 4.43Å; V248-L252 WeakPolarHBondContact O-CB 3.4Å; V248-L252 WeakPolarHBondContact O-CG 3.37Å; V248-L252 PolarHBondContact O-N 3.13Å; A249-L252 PolarHBondContact O-N 2.81Å; I250-L252 VanDerWaalsContact C-N 3.27Å; I250-L252 PolarHBondContact O-N 3.06Å; L252-F254 PolarHBondContact O-N 3.48Å; L252-E257 HydrophobicContact CD2-CB 4.11Å; L252-V260 HydrophobicContact CD2-CB 4.28Å; L252-V260 HydrophobicContact CD2-CG2 3.74Å; L252-V260 HydrophobicContact CG-CB 4.45Å; L252-V260 HydrophobicContact CG-CG1 4.33Å; L252-V260 HydrophobicContact CG-CG2 3.94Å
253	L	96	Very high	96.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-26.2	171.2	-63.7	175.3	0	0	0	111.7	V63 I64 F88 C212 F213 A249 I250 L251 F331	V63-L253 CarbonylContact C-O 3.51Å; V63-L253 VanDerWaalsContact CA-O 3.25Å; V63-L253 WeakPolarHBondContact CA-O 3.37Å; V63-L253 HydrophobicContact CG1-CD2 4.14Å; V63-L253 HydrophobicContact CG2-CD2 4.38Å; I64-L253 PolarHBondContact N-O 3.13Å; F88-L253 HydrophobicContact CE2-CD1 4.47Å; F88-L253 HydrophobicContact CZ-CD1 4.44Å; C212-L253 HydrophobicContact CB-CD2 4.21Å; F213-L253 HydrophobicContact CE2-CD2 3.77Å; F213-L253 HydrophobicContact CE2-CG 4.24Å; A249-L253 PolarHBondContact O-N 2.94Å; I250-L253 WeakPolarHBondContact O-CB 3.25Å; I250-L253 PolarHBondContact O-N 2.84Å; I250-L253 VanDerWaalsContact O-N 3.11Å; L251-L253 PolarHBondContact O-N 3.21Å; L253-F331 HydrophobicContact CD1-CE2 4.27Å; L253-F331 HydrophobicContact CD1-CZ 3.83Å
254	F	95.2	Very high	97	Very high	8 Å²	8	11 Å²	11	4%	0.035	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-27.5	-173.5	-60.1	-74.9	0	0	0	114.1	A62 F86 P161 W164 I250 L251 L252 F331 L335	A62-F254 HydrophobicContact CB-CE1 4.49Å; F86-F254 HydrophobicContact CD1-CE1 4.2Å; F86-F254 HydrophobicContact CD1-CZ 4.04Å; F86-F254 HydrophobicContact CE1-CE1 4.09Å; F86-F254 HydrophobicContact CE1-CZ 4.08Å; P161-F254 WeakPolarHBondContact CB-O 3.31Å; W164-F254 HydrophobicContact CH2-CD2 4.32Å; W164-F254 HydrophobicContact CH2-CE2 4.37Å; W164-F254 HydrophobicContact CZ3-CD2 4.01Å; W164-F254 HydrophobicContact CZ3-CE2 4.5Å; I250-F254 HydrophobicContact CG2-CE2 4.19Å; I250-F254 VanDerWaalsContact O-CD2 3.31Å; I250-F254 WeakPolarHBondContact O-CD2 3.1Å; L251-F254 PolarHBondContact O-N 3.16Å; L252-F254 PolarHBondContact O-N 3.48Å; F254-F331 HydrophobicContact CE2-CE1 4.46Å; F254-F331 HydrophobicContact CE2-CZ 4.13Å; F254-F331 AromaticContact CZ-CE1 4Å; F254-F331 HydrophobicContact CZ-CE1 4Å; F254-F331 HydrophobicContact CZ-CZ 4.11Å; F254-L335 HydrophobicContact CE2-CD2 3.64Å; F254-L335 HydrophobicContact CZ-CD1 3.88Å; F254-L335 HydrophobicContact CZ-CD2 3.64Å; F254-L335 HydrophobicContact CZ-CG 4.43Å
255	M	95.6	Very high	96.8	Very high	4 Å²	4	10.8 Å²	10.8	2%	0.02	6%	0.056	C	C	.	.	S	Bend	trans	-145.1	161.7	-171.1	68.5	-169.3	77.5	0	0	113.5	P161 W164 P165 L251 V260 M263	P161-M255 HydrophobicContact CB-CB 4Å; W164-M255 HydrophobicContact CE3-CE 3.82Å; W164-M255 HydrophobicContact CZ3-CE 4.43Å; P165-M255 HydrophobicContact CG-SD 4.48Å; L251-M255 HydrophobicContact CD2-CE 4.11Å; L251-M255 PolarHBondContact O-N 3.01Å; L251-M255 VanDerWaalsContact O-N 3.16Å; M255-V260 HydrophobicContact CG-CG2 3.44Å; M255-V260 VanDerWaalsContact CG-CG2 3.44Å; M255-V260 HydrophobicContact SD-CG2 4.26Å; M255-M263 HydrophobicContact CE-CG 4.37Å; M255-M263 HydrophobicContact SD-CG 3.74Å
256	E	95.8	Very high	96.6	Very high	72 Å²	72	10.8 Å²	10.8	34%	0.336	6%	0.055	S	C	.	.			trans	-64.1	153.5	177.2	-64.4	-62.1	147.3	0	0	112.4	I64 S66 R223 E258 S259 V260	I64-E256 HydrophobicContact CD1-CG 3.97Å; I64-E256 WeakPolarHBondContact CD1-OE1 3.19Å; S66-E256 VanDerWaalsContact CB-OE1 3.27Å; S66-E256 WeakPolarHBondContact CB-OE1 3.25Å; S66-E256 PolarHBondContact OG-OE1 3.02Å; R223-E256 IonicContact CZ-OE2 2.75Å; R223-E256 IonicContact NH1-OE1 2.69Å; R223-E256 IonicContact NH1-OE2 2.92Å; R223-E256 PolarHBondContact NH1-OE2 2.79Å; R223-E256 IonicContact NH2-OE2 3.68Å; R223-E256 PolarHBondContact NH2-OE2 2.84Å; E256-E258 VanDerWaalsContact C-N 3.29Å; E256-E258 PolarHBondContact O-N 2.57Å; E256-S259 WeakPolarHBondContact O-CB 3.48Å; E256-S259 PolarHBondContact O-N 3.47Å; E256-V260 PolarHBondContact O-N 3.48Å
257	E	95.8	Very high	96.5	Very high	41 Å²	41	10 Å²	10	19%	0.192	5%	0.05	C	C	.	.	H	α-helix	trans	-53.3	-38.3	-174.8	60.2	178.7	-158.1	0	0	114.8	Y181 R223 Q226 V227 L252 S259 V260 F261	Y181-E257 HydrophobicContact CE1-CB 4.49Å; Y181-E257 HydrophobicContact CE1-CG 3.81Å; Y181-E257 WeakPolarHBondContact CE1-OE1 3.11Å; R223-E257 HydrophobicContact CB-CB 4.32Å; R223-E257 HydrophobicContact CG-CB 4.44Å; R223-E257 WeakPolarHBondContact CG-OE2 3.28Å; Q226-E257 PolarHBondContact OE1-OE2 2.87Å; Q226-E257 VanDerWaalsContact OE1-OE2 3.07Å; V227-E257 HydrophobicContact CG2-CB 3.84Å; V227-E257 WeakPolarHBondContact CG2-O 3.35Å; L252-E257 HydrophobicContact CD2-CB 4.11Å; E257-S259 VanDerWaalsContact C-N 3.34Å; E257-S259 PolarHBondContact O-N 3.29Å; E257-V260 PolarHBondContact O-N 3.42Å; E257-F261 WeakPolarHBondContact O-CB 3.44Å; E257-F261 PolarHBondContact O-N 3.07Å
258	E	96.2	Very high	96.1	Very high	41 Å²	41	10.6 Å²	10.6	19%	0.192	5%	0.054	C	C	.	.	H	α-helix	trans	-64.8	-41.9	178.3	177.9	174.9	171.1	0	0	110.6	R174 Y181 E256 V260 F261 W262	R174-E258 IonicContact CZ-OE1 2.74Å; R174-E258 IonicContact NE-OE1 3.01Å; R174-E258 PolarHBondContact NE-OE1 3.33Å; R174-E258 VanDerWaalsContact NH2-CD 3.28Å; R174-E258 IonicContact NH2-OE1 2.62Å; R174-E258 PolarHBondContact NH2-OE1 2.83Å; R174-E258 IonicContact NH2-OE2 2.63Å; R174-E258 PolarHBondContact NH2-OE2 2.89Å; Y181-E258 HydrophobicContact CD1-CB 3.81Å; Y181-E258 HydrophobicContact CD1-CG 4.19Å; Y181-E258 HydrophobicContact CE1-CB 4.45Å; Y181-E258 HydrophobicContact CG-CB 4.23Å; Y181-E258 HydrophobicContact CG-CG 4.19Å; E256-E258 VanDerWaalsContact C-N 3.29Å; E256-E258 PolarHBondContact O-N 2.57Å; E258-V260 VanDerWaalsContact C-N 3.35Å; E258-F261 WeakPolarHBondContact O-CB 3.43Å; E258-F261 PolarHBondContact O-N 3.35Å; E258-W262 PolarHBondContact O-N 3.38Å; E258-W262 VanDerWaalsContact O-N 3.12Å
259	S	96	Very high	95.4	Very high	37 Å²	37	12.5 Å²	12.5	26%	0.259	6%	0.063	S	C	.	.	H	α-helix	trans	-64.7	-41.6	175.7	-61.4	0	0	0	0	110.8	E256 E257 F261 W262 M263	E256-S259 WeakPolarHBondContact O-CB 3.48Å; E256-S259 PolarHBondContact O-N 3.47Å; E257-S259 VanDerWaalsContact C-N 3.34Å; E257-S259 PolarHBondContact O-N 3.29Å; S259-F261 VanDerWaalsContact C-N 3.34Å; S259-F261 PolarHBondContact O-N 3Å; S259-W262 PolarHBondContact O-N 2.76Å; S259-M263 VanDerWaalsContact O-CG 3.26Å; S259-M263 WeakPolarHBondContact O-CG 3.36Å; S259-M263 PolarHBondContact O-N 3.18Å
260	V	98.4	Very high	94.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.7	-42.2	175.6	-179.1	0	0	0	0	111.8	V227 V248 L251 L252 M255 E256 E257 E258 W262 M263 M264	V227-V260 HydrophobicContact CG1-CG1 4.23Å; V248-V260 HydrophobicContact CB-CG1 4.41Å; V248-V260 HydrophobicContact CG1-CG1 3.82Å; L251-V260 HydrophobicContact CB-CB 4.28Å; L251-V260 HydrophobicContact CB-CG1 3.63Å; L251-V260 HydrophobicContact CB-CG2 3.8Å; L251-V260 HydrophobicContact CD1-CG1 4.03Å; L251-V260 HydrophobicContact CG-CG1 4.5Å; L252-V260 HydrophobicContact CD2-CB 4.28Å; L252-V260 HydrophobicContact CD2-CG2 3.74Å; L252-V260 HydrophobicContact CG-CB 4.45Å; L252-V260 HydrophobicContact CG-CG1 4.33Å; L252-V260 HydrophobicContact CG-CG2 3.94Å; M255-V260 HydrophobicContact CG-CG2 3.44Å; M255-V260 VanDerWaalsContact CG-CG2 3.44Å; M255-V260 HydrophobicContact SD-CG2 4.26Å; E256-V260 PolarHBondContact O-N 3.48Å; E257-V260 PolarHBondContact O-N 3.42Å; E258-V260 VanDerWaalsContact C-N 3.35Å; V260-W262 PolarHBondContact O-N 2.7Å; V260-M263 WeakPolarHBondContact O-CB 3.14Å; V260-M263 PolarHBondContact O-N 3.14Å; V260-M264 PolarHBondContact O-N 3.04Å
261	F	97.5	Very high	94.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-56.6	-48.8	174.9	166.2	-96.5	0	0	0	111.3	Y181 I184 V227 A230 L231 V234 E257 E258 S259 M263 M264 F265	Y181-F261 HydrophobicContact CD2-CB 3.72Å; Y181-F261 AromaticContact CD2-CD1 3.76Å; Y181-F261 HydrophobicContact CD2-CD1 3.76Å; Y181-F261 AromaticContact CD2-CD2 3.91Å; Y181-F261 HydrophobicContact CD2-CD2 3.91Å; Y181-F261 HydrophobicContact CD2-CE1 4.4Å; Y181-F261 AromaticContact CD2-CG 3.49Å; Y181-F261 HydrophobicContact CD2-CG 3.49Å; Y181-F261 VanDerWaalsContact CD2-CG 3.49Å; Y181-F261 HydrophobicContact CE2-CB 3.82Å; Y181-F261 HydrophobicContact CE2-CD2 4.12Å; Y181-F261 AromaticContact CE2-CG 3.92Å; Y181-F261 HydrophobicContact CE2-CG 3.92Å; Y181-F261 HydrophobicContact CG-CD1 4.37Å; Y181-F261 HydrophobicContact CG-CG 4.43Å; I184-F261 HydrophobicContact CD1-CE1 3.96Å; I184-F261 HydrophobicContact CD1-CE2 4.17Å; I184-F261 HydrophobicContact CD1-CZ 3.46Å; I184-F261 VanDerWaalsContact CD1-CZ 3.46Å; V227-F261 HydrophobicContact CG1-CB 4.26Å; A230-F261 HydrophobicContact CB-CD2 3.75Å; A230-F261 HydrophobicContact CB-CE2 3.84Å; L231-F261 HydrophobicContact CD2-CD2 4Å; L231-F261 HydrophobicContact CD2-CE2 4.07Å; L231-F261 HydrophobicContact CG-CD2 4.16Å; L231-F261 HydrophobicContact CG-CE2 4.44Å; V234-F261 HydrophobicContact CG2-CE2 4.14Å; V234-F261 HydrophobicContact CG2-CZ 3.98Å; E257-F261 WeakPolarHBondContact O-CB 3.44Å; E257-F261 PolarHBondContact O-N 3.07Å; E258-F261 WeakPolarHBondContact O-CB 3.43Å; E258-F261 PolarHBondContact O-N 3.35Å; S259-F261 VanDerWaalsContact C-N 3.34Å; S259-F261 PolarHBondContact O-N 3Å; F261-M263 PolarHBondContact O-N 2.98Å; F261-M264 PolarHBondContact O-N 3.16Å; F261-F265 HydrophobicContact CE1-CD2 4.1Å; F261-F265 HydrophobicContact CE2-CD2 4.41Å; F261-F265 AromaticContact CZ-CD2 3.71Å; F261-F265 HydrophobicContact CZ-CD2 3.71Å; F261-F265 HydrophobicContact CZ-CE2 4.28Å; F261-F265 WeakPolarHBondContact O-CB 3.45Å; F261-F265 PolarHBondContact O-N 3.35Å
262	W	95.5	Very high	94.2	Very high	5 Å²	5	15.6 Å²	15.6	2%	0.019	8%	0.08	C	C	.	.	H	α-helix	trans	-68.8	-33.4	179	-71.6	113.9	0	0	0	113.5	A170 K173 R174 T177 F179 E258 S259 V260 F265 T266	A170-W262 HydrophobicContact CB-CB 4.25Å; A170-W262 WeakPolarHBondContact CB-O 3.18Å; K173-W262 HydrophobicContact CD-CE3 4.38Å; K173-W262 HydrophobicContact CD-CZ3 4.45Å; K173-W262 HydrophobicContact CG-CE3 4.35Å; K173-W262 HydrophobicContact CG-CZ3 4.28Å; R174-W262 HydrophobicContact CB-CD2 3.77Å; R174-W262 HydrophobicContact CB-CE3 4.43Å; R174-W262 HydrophobicContact CB-CG 3.79Å; R174-W262 HydrophobicContact CB-CZ2 4.44Å; R174-W262 HydrophobicContact CG-CD2 4.27Å; R174-W262 HydrophobicContact CG-CG 4.21Å; R174-W262 HydrophobicContact CG-CZ2 4.41Å; T177-W262 HydrophobicContact CG2-CH2 3.75Å; T177-W262 HydrophobicContact CG2-CZ3 3.83Å; T177-W262 WeakPolarHBondContact OG1-CH2 3.19Å; T177-W262 WeakPolarHBondContact OG1-CZ2 3.48Å; F179-W262 HydrophobicContact CD2-CH2 4.28Å; F179-W262 AromaticContact CE2-CH2 3.55Å; F179-W262 HydrophobicContact CE2-CH2 3.55Å; F179-W262 HydrophobicContact CE2-CZ2 4.21Å; F179-W262 HydrophobicContact CE2-CZ3 4.37Å; F179-W262 AromaticContact CZ-CH2 3.97Å; F179-W262 HydrophobicContact CZ-CH2 3.97Å; E258-W262 PolarHBondContact O-N 3.38Å; E258-W262 VanDerWaalsContact O-N 3.12Å; S259-W262 PolarHBondContact O-N 2.76Å; V260-W262 PolarHBondContact O-N 2.7Å; W262-F265 HydrophobicContact CE3-CB 4.26Å; W262-F265 HydrophobicContact CE3-CD2 4.31Å; W262-F265 HydrophobicContact CE3-CG 4.2Å; W262-F265 HydrophobicContact CZ3-CD1 4.48Å; W262-F265 HydrophobicContact CZ3-CD2 4.02Å; W262-F265 HydrophobicContact CZ3-CE2 4.11Å; W262-F265 HydrophobicContact CZ3-CG 4.21Å; W262-F265 HydrophobicContact CZ3-CZ 4.39Å; W262-T266 WeakPolarHBondContact O-CB 3.5Å; W262-T266 PolarHBondContact O-N 3.25Å; W262-T266 PolarHBondContact O-OG1 2.8Å
263	M	97.4	Very high	93.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.5	-51.8	170.4	-74.1	-64.2	-65.8	0	0	110.4	W164 P165 C168 A170 L251 M255 S259 V260 F261 F265 T266 V267 F342	W164-M263 HydrophobicContact CB-CE 3.79Å; W164-M263 HydrophobicContact CB-SD 4.38Å; P165-M263 VanDerWaalsContact CA-SD 3.55Å; P165-M263 HydrophobicContact CB-SD 4.01Å; P165-M263 HydrophobicContact CG-CG 4.43Å; P165-M263 HydrophobicContact CG-SD 3.82Å; C168-M263 PolarHBondContact SG-SD 3.15Å; A170-M263 HydrophobicContact CB-SD 3.9Å; L251-M263 HydrophobicContact CD1-CB 3.94Å; L251-M263 HydrophobicContact CD2-CE 4.33Å; M255-M263 HydrophobicContact CE-CG 4.37Å; M255-M263 HydrophobicContact SD-CG 3.74Å; S259-M263 VanDerWaalsContact O-CG 3.26Å; S259-M263 WeakPolarHBondContact O-CG 3.36Å; S259-M263 PolarHBondContact O-N 3.18Å; V260-M263 WeakPolarHBondContact O-CB 3.14Å; V260-M263 PolarHBondContact O-N 3.14Å; F261-M263 PolarHBondContact O-N 2.98Å; M263-F265 PolarHBondContact O-N 3.28Å; M263-T266 WeakPolarHBondContact O-CB 3.36Å; M263-T266 PolarHBondContact O-N 3.38Å; M263-T266 VanDerWaalsContact O-N 3.16Å; M263-V267 WeakPolarHBondContact O-CG2 3.45Å; M263-V267 PolarHBondContact O-N 3.39Å; M263-F342 HydrophobicContact CE-CD1 3.5Å; M263-F342 HydrophobicContact CE-CD2 4.02Å; M263-F342 HydrophobicContact CE-CE1 3.25Å; M263-F342 HydrophobicContact CE-CE2 3.78Å; M263-F342 HydrophobicContact CE-CG 3.9Å; M263-F342 HydrophobicContact CE-CZ 3.41Å; M263-F342 VanDerWaalsContact CE-CZ 3.41Å
264	M	97.3	Very high	92.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.4	-39	179.2	-78.8	-60.6	-61.6	0	0	113.1	L231 M244 I247 V248 L251 V260 F261 T266 V267 V268	L231-M264 HydrophobicContact CD1-CB 3.59Å; L231-M264 HydrophobicContact CD1-CE 4.32Å; L231-M264 HydrophobicContact CD1-CG 4Å; L231-M264 HydrophobicContact CD2-CB 3.8Å; L231-M264 HydrophobicContact CG-CB 4.31Å; M244-M264 HydrophobicContact CB-CE 4.28Å; M244-M264 HydrophobicContact CG-CE 4.2Å; I247-M264 HydrophobicContact CB-SD 4.06Å; I247-M264 HydrophobicContact CG2-SD 3.5Å; I247-M264 WeakPolarHBondContact CG2-SD 3.32Å; V248-M264 HydrophobicContact CG2-CE 4.17Å; V248-M264 HydrophobicContact CG2-CG 3.64Å; V248-M264 HydrophobicContact CG2-SD 4.03Å; L251-M264 HydrophobicContact CD1-CG 4.21Å; L251-M264 HydrophobicContact CD1-SD 4.3Å; V260-M264 PolarHBondContact O-N 3.04Å; F261-M264 PolarHBondContact O-N 3.16Å; M264-T266 PolarHBondContact O-N 2.95Å; M264-V267 PolarHBondContact O-N 3.44Å; M264-V268 HydrophobicContact CE-CG2 4.46Å; M264-V268 WeakPolarHBondContact O-CB 3.36Å; M264-V268 VanDerWaalsContact O-CG2 3.28Å; M264-V268 WeakPolarHBondContact O-CG2 3.45Å; M264-V268 PolarHBondContact O-N 3.31Å
265	F	92.9	Very high	92.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-54.5	-45.5	172.1	-164.3	-68.1	0	0	0	110.6	K173 F179 V234 F235 F261 W262 M263 E269	K173-F265 HydrophobicContact CD-CD1 3.29Å; K173-F265 HydrophobicContact CD-CE1 3.55Å; K173-F265 HydrophobicContact CD-CG 4.24Å; K173-F265 HydrophobicContact CG-CE1 4.5Å; F179-F265 HydrophobicContact CE2-CE2 4.37Å; F179-F265 AromaticContact CZ-CE2 3.85Å; F179-F265 HydrophobicContact CZ-CE2 3.85Å; F179-F265 HydrophobicContact CZ-CZ 4.16Å; V234-F265 HydrophobicContact CG1-CD2 3.89Å; V234-F265 HydrophobicContact CG1-CE2 3.37Å; V234-F265 HydrophobicContact CG1-CZ 4.21Å; F235-F265 AromaticContact CE2-CD2 3.92Å; F235-F265 HydrophobicContact CE2-CD2 3.92Å; F235-F265 HydrophobicContact CE2-CE2 4.35Å; F235-F265 HydrophobicContact CE2-CG 4.1Å; F235-F265 HydrophobicContact CZ-CD1 4.01Å; F235-F265 AromaticContact CZ-CD2 3.91Å; F235-F265 HydrophobicContact CZ-CD2 3.91Å; F235-F265 HydrophobicContact CZ-CE1 4.17Å; F235-F265 HydrophobicContact CZ-CE2 4.06Å; F235-F265 AromaticContact CZ-CG 3.89Å; F235-F265 HydrophobicContact CZ-CG 3.89Å; F235-F265 HydrophobicContact CZ-CZ 4.18Å; F261-F265 HydrophobicContact CE1-CD2 4.1Å; F261-F265 HydrophobicContact CE2-CD2 4.41Å; F261-F265 AromaticContact CZ-CD2 3.71Å; F261-F265 HydrophobicContact CZ-CD2 3.71Å; F261-F265 HydrophobicContact CZ-CE2 4.28Å; F261-F265 WeakPolarHBondContact O-CB 3.45Å; F261-F265 PolarHBondContact O-N 3.35Å; W262-F265 HydrophobicContact CE3-CB 4.26Å; W262-F265 HydrophobicContact CE3-CD2 4.31Å; W262-F265 HydrophobicContact CE3-CG 4.2Å; W262-F265 HydrophobicContact CZ3-CD1 4.48Å; W262-F265 HydrophobicContact CZ3-CD2 4.02Å; W262-F265 HydrophobicContact CZ3-CE2 4.11Å; W262-F265 HydrophobicContact CZ3-CG 4.21Å; W262-F265 HydrophobicContact CZ3-CZ 4.39Å; M263-F265 PolarHBondContact O-N 3.28Å; F265-E269 WeakPolarHBondContact CD1-OE2 3.5Å; F265-E269 WeakPolarHBondContact CE1-OE2 3.35Å; F265-E269 VanDerWaalsContact O-CB 3.25Å; F265-E269 WeakPolarHBondContact O-CB 3.37Å; F265-E269 PolarHBondContact O-N 3.34Å; F265-E269 VanDerWaalsContact O-N 3.08Å
266	T	91.9	Very high	91.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69.2	-38	178.4	-56.4	0	0	0	0	112.2	C168 A170 W262 M263 M264 D270 L271	C168-T266 HydrophobicContact CB-CG2 4Å; C168-T266 WeakPolarHBondContact O-CG2 3.49Å; A170-T266 VanDerWaalsContact CA-OG1 3.25Å; A170-T266 WeakPolarHBondContact CA-OG1 3.25Å; A170-T266 HydrophobicContact CB-CG2 4.48Å; A170-T266 VanDerWaalsContact CB-OG1 3.31Å; A170-T266 WeakPolarHBondContact CB-OG1 3.31Å; W262-T266 WeakPolarHBondContact O-CB 3.5Å; W262-T266 PolarHBondContact O-N 3.25Å; W262-T266 PolarHBondContact O-OG1 2.8Å; M263-T266 WeakPolarHBondContact O-CB 3.36Å; M263-T266 PolarHBondContact O-N 3.38Å; M263-T266 VanDerWaalsContact O-N 3.16Å; M264-T266 PolarHBondContact O-N 2.95Å; T266-D270 HydrophobicContact CG2-CB 4.16Å; T266-D270 WeakPolarHBondContact O-CA 3.43Å; T266-D270 WeakPolarHBondContact O-CB 3.3Å; T266-D270 PolarHBondContact O-N 3.12Å; T266-L271 HydrophobicContact CG2-CG 4.38Å; T266-L271 PolarHBondContact O-N 3.4Å; T266-L271 VanDerWaalsContact O-N 3.08Å
267	V	95.3	Very high	91.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	I	π-helix	trans	-59.8	-51	174.4	169.6	0	0	0	0	111	M263 M264 E269 L271 L272 L324 F341 F342	M263-V267 WeakPolarHBondContact O-CG2 3.45Å; M263-V267 PolarHBondContact O-N 3.39Å; M264-V267 PolarHBondContact O-N 3.44Å; V267-E269 PolarHBondContact O-N 2.92Å; V267-L271 HydrophobicContact CG2-CD1 4.07Å; V267-L272 HydrophobicContact CG1-CD1 3.68Å; V267-L272 HydrophobicContact CG1-CG 4.15Å; V267-L272 WeakPolarHBondContact O-CB 3.5Å; V267-L272 WeakPolarHBondContact O-CG 3.38Å; V267-L272 PolarHBondContact O-N 3.29Å; V267-L324 HydrophobicContact CG1-CD1 4.12Å; V267-F341 HydrophobicContact CG1-CZ 4.42Å; V267-F341 HydrophobicContact CG2-CE1 4.14Å; V267-F342 HydrophobicContact CG2-CE1 3.95Å
268	V	90	Very high	90.6	Very high	13 Å²	13	20.8 Å²	20.8	8%	0.079	12%	0.117	C	C	.	.	I	π-helix	trans	-66.6	-37.4	-175	169.8	0	0	0	0	112	F235 I238 M244 M264 Y277	F235-V268 HydrophobicContact CD1-CG1 4.27Å; F235-V268 HydrophobicContact CD2-CG1 4.32Å; F235-V268 HydrophobicContact CE1-CG1 4.17Å; F235-V268 HydrophobicContact CE2-CB 4.45Å; F235-V268 HydrophobicContact CE2-CG1 4.23Å; F235-V268 HydrophobicContact CG-CG1 4.35Å; F235-V268 HydrophobicContact CZ-CB 4.48Å; F235-V268 HydrophobicContact CZ-CG1 4.15Å; I238-V268 HydrophobicContact CD1-CG1 3.32Å; M244-V268 HydrophobicContact CE-CG2 3.85Å; M264-V268 HydrophobicContact CE-CG2 4.46Å; M264-V268 WeakPolarHBondContact O-CB 3.36Å; M264-V268 VanDerWaalsContact O-CG2 3.28Å; M264-V268 WeakPolarHBondContact O-CG2 3.45Å; M264-V268 PolarHBondContact O-N 3.31Å; V268-Y277 HydrophobicContact CG2-CD2 3.92Å; V268-Y277 HydrophobicContact CG2-CE2 4.01Å
269	E	84.2	Confident	89.5	Confident	41 Å²	41	24.2 Å²	24.2	19%	0.192	14%	0.137	C	C	.	.	I	π-helix	trans	-102.4	-35.2	-169.8	-167.6	179.4	-137.6	0	0	114.4	K173 F265 V267 V447	K173-E269 IonicContact NZ-OE2 3.86Å; K173-E269 PolarHBondContact NZ-OE2 2.96Å; F265-E269 WeakPolarHBondContact CD1-OE2 3.5Å; F265-E269 WeakPolarHBondContact CE1-OE2 3.35Å; F265-E269 VanDerWaalsContact O-CB 3.25Å; F265-E269 WeakPolarHBondContact O-CB 3.37Å; F265-E269 PolarHBondContact O-N 3.34Å; F265-E269 VanDerWaalsContact O-N 3.08Å; V267-E269 PolarHBondContact O-N 2.92Å; E269-V447 HydrophobicContact CG-CG1 4.39Å; E269-V447 WeakPolarHBondContact OE1-CB 3.22Å; E269-V447 VanDerWaalsContact OE1-CG1 3.28Å; E269-V447 WeakPolarHBondContact OE1-CG1 3.27Å; E269-V447 WeakPolarHBondContact OE2-CG1 3.41Å
270	D	84.7	Confident	88.6	Confident	35 Å²	35	25.6 Å²	25.6	19%	0.187	15%	0.145	C	C	.	.	I	π-helix	trans	-110.4	-38.9	-172	-57.3	-29	0	0	0	113.4	K173 T266 R454	K173-D270 WeakPolarHBondContact CE-OD2 3.39Å; K173-D270 IonicContact NZ-OD1 2.83Å; K173-D270 PolarHBondContact NZ-OD1 3.12Å; K173-D270 IonicContact NZ-OD2 3.7Å; K173-D270 PolarHBondContact NZ-OD2 2.58Å; T266-D270 HydrophobicContact CG2-CB 4.16Å; T266-D270 WeakPolarHBondContact O-CA 3.43Å; T266-D270 WeakPolarHBondContact O-CB 3.3Å; T266-D270 PolarHBondContact O-N 3.12Å; D270-R454 IonicContact OD2-CZ 3.55Å; D270-R454 IonicContact OD2-NH1 3.23Å; D270-R454 PolarHBondContact OD2-NH1 3.46Å
271	L	91.8	Very high	88	Confident	23 Å²	23	27.4 Å²	27.4	12%	0.12	15%	0.154	C	C	.	.	I	π-helix	trans	-88.7	-35.1	-171.5	-58.5	-177.5	0	0	0	113.3	C168 T266 V267 F341 F342 S346	C168-L271 HydrophobicContact CB-CD1 3.98Å; C168-L271 HydrophobicContact CB-CD2 4.3Å; T266-L271 HydrophobicContact CG2-CG 4.38Å; T266-L271 PolarHBondContact O-N 3.4Å; T266-L271 VanDerWaalsContact O-N 3.08Å; V267-L271 HydrophobicContact CG2-CD1 4.07Å; L271-F341 HydrophobicContact CB-CE1 4.41Å; L271-F341 HydrophobicContact CB-CE2 4.46Å; L271-F341 HydrophobicContact CB-CZ 3.87Å; L271-F341 HydrophobicContact CD1-CD1 4.27Å; L271-F341 HydrophobicContact CD1-CE1 3.6Å; L271-F341 HydrophobicContact CD1-CZ 3.94Å; L271-F342 HydrophobicContact CD1-CD1 3.85Å; L271-F342 HydrophobicContact CD1-CE1 4.33Å; L271-S346 VanDerWaalsContact O-CB 3.24Å; L271-S346 WeakPolarHBondContact O-CB 3.47Å; L271-S346 PolarHBondContact O-N 2.78Å; L271-S346 PolarHBondContact O-OG 3.06Å
272	L	92	Very high	87.2	Confident	8 Å²	8	28.3 Å²	28.3	4%	0.042	16%	0.159	C	C	.	.	S	Bend	trans	-100.2	151.6	177.4	-63	174.7	0	0	0	110.8	V267 Y276 Y277 L324 F341 L349	V267-L272 HydrophobicContact CG1-CD1 3.68Å; V267-L272 HydrophobicContact CG1-CG 4.15Å; V267-L272 WeakPolarHBondContact O-CB 3.5Å; V267-L272 WeakPolarHBondContact O-CG 3.38Å; V267-L272 PolarHBondContact O-N 3.29Å; L272-Y276 HydrophobicContact CB-CD1 4.39Å; L272-Y276 HydrophobicContact CB-CD2 4.26Å; L272-Y276 HydrophobicContact CB-CG 4.02Å; L272-Y276 HydrophobicContact CD1-CD1 3.78Å; L272-Y276 HydrophobicContact CD1-CE1 4.18Å; L272-Y276 HydrophobicContact CD1-CG 4.21Å; L272-Y276 HydrophobicContact CD2-CD1 4.39Å; L272-Y276 HydrophobicContact CD2-CE1 4.14Å; L272-Y276 HydrophobicContact CG-CD1 4.42Å; L272-Y277 HydrophobicContact CD1-CD2 4.38Å; L272-Y277 HydrophobicContact CD1-CE2 3.48Å; L272-Y277 VanDerWaalsContact CD1-CE2 3.48Å; L272-L324 HydrophobicContact CD1-CD2 4.49Å; L272-L324 HydrophobicContact CD2-CD2 4.17Å; L272-F341 HydrophobicContact CD2-CE2 4.2Å; L272-F341 HydrophobicContact CD2-CZ 4.27Å; L272-F341 HydrophobicContact CG-CZ 4.49Å; L272-L349 HydrophobicContact CD2-CD1 4.01Å
273	P	86.2	Confident	86.8	Confident	27 Å²	27	28.2 Å²	28.2	18%	0.175	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-54.5	155.6	172.4	-25.9	33.1	0	0	0	113.5	Y276	P273-Y276 HydrophobicContact CB-CD2 4.16Å; P273-Y276 HydrophobicContact CG-CD2 4.04Å; P273-Y276 HydrophobicContact CG-CE2 4.14Å; P273-Y276 WeakPolarHBondContact O-CB 3.42Å; P273-Y276 PolarHBondContact O-N 3.29Å
274	S	81.2	Confident	86.5	Confident	90 Å²	90	28.2 Å²	28.2	63%	0.629	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	146.6	174.8	63.8	0	0	0	0	112	Y276 G283	S274-Y276 PolarHBondContact O-N 2.96Å; S274-G283 WeakPolarHBondContact O-CA 3.41Å
275	Q	79.9	Confident	86.3	Confident	94 Å²	94	31.4 Å²	31.4	44%	0.439	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	27.8	177.8	-54.8	174.5	60.5	0	0	113.3	Y277 F282 G283	Q275-Y277 VanDerWaalsContact C-N 3.29Å; Q275-Y277 PolarHBondContact O-N 3.08Å; Q275-F282 HydrophobicContact CB-CB 4.31Å; Q275-F282 PolarHBondContact O-N 2.74Å; Q275-G283 PolarHBondContact O-N 3.16Å
276	Y	87.4	Confident	86.3	Confident	3 Å²	3	32 Å²	32	1%	0.012	18%	0.178	C	C	.	.	S	Bend	trans	-63.1	-37.8	176.9	-147.7	-101.5	0	0	0	112.8	L272 P273 S274 L281 A284 D287 F321 L322	L272-Y276 HydrophobicContact CB-CD1 4.39Å; L272-Y276 HydrophobicContact CB-CD2 4.26Å; L272-Y276 HydrophobicContact CB-CG 4.02Å; L272-Y276 HydrophobicContact CD1-CD1 3.78Å; L272-Y276 HydrophobicContact CD1-CE1 4.18Å; L272-Y276 HydrophobicContact CD1-CG 4.21Å; L272-Y276 HydrophobicContact CD2-CD1 4.39Å; L272-Y276 HydrophobicContact CD2-CE1 4.14Å; L272-Y276 HydrophobicContact CG-CD1 4.42Å; P273-Y276 HydrophobicContact CB-CD2 4.16Å; P273-Y276 HydrophobicContact CG-CD2 4.04Å; P273-Y276 HydrophobicContact CG-CE2 4.14Å; P273-Y276 WeakPolarHBondContact O-CB 3.42Å; P273-Y276 PolarHBondContact O-N 3.29Å; S274-Y276 PolarHBondContact O-N 2.96Å; Y276-L281 WeakPolarHBondContact O-CD2 3.28Å; Y276-A284 HydrophobicContact CD1-CB 4.04Å; Y276-A284 HydrophobicContact CD2-CB 4.16Å; Y276-A284 HydrophobicContact CE1-CB 3.94Å; Y276-A284 HydrophobicContact CE2-CB 4.05Å; Y276-A284 HydrophobicContact CG-CB 4.17Å; Y276-D287 HydrophobicContact CE2-CB 4.12Å; Y276-F321 WeakPolarHBondContact OH-CB 3.48Å; Y276-F321 VanDerWaalsContact OH-CD2 3.29Å; Y276-F321 WeakPolarHBondContact OH-CD2 3.29Å; Y276-L322 HydrophobicContact CD1-CD2 4.15Å; Y276-L322 HydrophobicContact CE1-CD2 4.2Å
277	Y	86.9	Confident	86.6	Confident	5 Å²	5	32 Å²	32	2%	0.02	18%	0.178	C	C	.	.	S	Bend	trans	-111.3	-6.7	-176.7	-67	-63.7	0	0	0	114	C241 M244 I247 V268 L272 Q275 L322	C241-Y277 HydrophobicContact CB-CD1 3.66Å; C241-Y277 HydrophobicContact CB-CG 4.11Å; M244-Y277 HydrophobicContact CE-CD1 3.92Å; M244-Y277 HydrophobicContact CE-CD2 3.26Å; M244-Y277 HydrophobicContact CE-CE1 4.41Å; M244-Y277 HydrophobicContact CE-CE2 3.81Å; M244-Y277 HydrophobicContact CE-CG 3.3Å; M244-Y277 HydrophobicContact CG-CD1 4.32Å; M244-Y277 HydrophobicContact CG-CE1 4.19Å; I247-Y277 WeakPolarHBondContact CD1-OH 3.31Å; V268-Y277 HydrophobicContact CG2-CD2 3.92Å; V268-Y277 HydrophobicContact CG2-CE2 4.01Å; L272-Y277 HydrophobicContact CD1-CD2 4.38Å; L272-Y277 HydrophobicContact CD1-CE2 3.48Å; L272-Y277 VanDerWaalsContact CD1-CE2 3.48Å; Q275-Y277 VanDerWaalsContact C-N 3.29Å; Q275-Y277 PolarHBondContact O-N 3.08Å; Y277-L322 HydrophobicContact CD1-CD2 3.97Å; Y277-L322 HydrophobicContact CE1-CD2 3.95Å; Y277-L322 WeakPolarHBondContact CE1-O 3.36Å; Y277-L322 PolarHBondContact OH-O 3.22Å
278	S	80.6	Confident	86.7	Confident	14 Å²	14	32.3 Å²	32.3	10%	0.098	18%	0.179	C	C	.	.	S	Bend	trans	-70.9	141.5	175.1	-58	0	0	0	0	109.8	I238 L281	I238-S278 WeakPolarHBondContact CG1-OG 3.46Å; S278-L281 WeakPolarHBondContact O-CA 3.44Å; S278-L281 PolarHBondContact O-N 3.06Å
279	D	73	Confident	87	Confident	114 Å²	114	35.8 Å²	35.8	61%	0.61	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	123	171.7	177.1	30.6	0	0	0	110.5
280	P	77	Confident	87.6	Confident	65 Å²	65	33.8 Å²	33.8	42%	0.422	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	cis	-104.8	45.8	18	41.1	-37.3	0	0	0	116.3	F282	P280-F282 PolarHBondContact O-N 3.43Å
281	L	85.3	Confident	88.3	Confident	38 Å²	38	32.2 Å²	32.2	20%	0.199	17%	0.173	C	C	.	.			trans	60.2	38.9	179.6	-52.8	176	0	0	0	114	Y276 S278 G283 A284 M285 L322	Y276-L281 WeakPolarHBondContact O-CD2 3.28Å; S278-L281 WeakPolarHBondContact O-CA 3.44Å; S278-L281 PolarHBondContact O-N 3.06Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 3.28Å; L281-A284 HydrophobicContact CB-CB 4.26Å; L281-A284 PolarHBondContact O-N 3.04Å; L281-M285 WeakPolarHBondContact O-CG 3.39Å; L281-M285 PolarHBondContact O-N 3.39Å; L281-L322 HydrophobicContact CD1-CD1 4.04Å
282	F	81.5	Confident	88.6	Confident	20 Å²	20	33.4 Å²	33.4	9%	0.088	18%	0.176	C	C	.	.	H	α-helix	trans	-53	-46	-170.8	-168.3	-101.9	0	0	0	113.3	Q275 P280 A284 M285 I286 M417 M418	Q275-F282 HydrophobicContact CB-CB 4.31Å; Q275-F282 PolarHBondContact O-N 2.74Å; P280-F282 PolarHBondContact O-N 3.43Å; F282-A284 PolarHBondContact O-N 2.77Å; F282-M285 PolarHBondContact O-N 3.4Å; F282-I286 HydrophobicContact CD1-CD1 3.6Å; F282-I286 HydrophobicContact CD1-CG1 4.47Å; F282-I286 HydrophobicContact CE1-CD1 3.32Å; F282-I286 HydrophobicContact CE1-CG1 4.28Å; F282-I286 HydrophobicContact CG-CD1 4.49Å; F282-I286 HydrophobicContact CZ-CD1 4Å; F282-I286 WeakPolarHBondContact O-CG1 3.49Å; F282-I286 PolarHBondContact O-N 3.04Å; F282-M417 HydrophobicContact CD2-CE 3.98Å; F282-M417 HydrophobicContact CE2-CB 4.13Å; F282-M417 HydrophobicContact CE2-CE 3.87Å; F282-M417 HydrophobicContact CZ-CB 4.23Å; F282-M418 HydrophobicContact CE1-CE 3.9Å; F282-M418 HydrophobicContact CZ-CE 3.89Å; F282-M418 HydrophobicContact CZ-CG 3.94Å
283	G	85.8	Confident	88.8	Confident	2 Å²	2	36.8 Å²	36.8	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-41	178.3	0	0	0	0	0	112.9	S274 Q275 L281 D287	S274-G283 WeakPolarHBondContact O-CA 3.41Å; Q275-G283 PolarHBondContact O-N 3.16Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 3.28Å; G283-D287 PolarHBondContact O-N 2.95Å
284	A	92.4	Very high	89.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.6	-38.3	178.1	0	0	0	0	0	111.8	Y276 L281 F282 D287 Q288 L318 L322	Y276-A284 HydrophobicContact CD1-CB 4.04Å; Y276-A284 HydrophobicContact CD2-CB 4.16Å; Y276-A284 HydrophobicContact CE1-CB 3.94Å; Y276-A284 HydrophobicContact CE2-CB 4.05Å; Y276-A284 HydrophobicContact CG-CB 4.17Å; L281-A284 HydrophobicContact CB-CB 4.26Å; L281-A284 PolarHBondContact O-N 3.04Å; F282-A284 PolarHBondContact O-N 2.77Å; A284-D287 PolarHBondContact O-N 3.48Å; A284-Q288 WeakPolarHBondContact O-CG 3.13Å; A284-Q288 PolarHBondContact O-N 2.79Å; A284-L318 HydrophobicContact CB-CD1 3.94Å; A284-L322 HydrophobicContact CB-CD2 4.01Å
285	M	92.6	Very high	90.3	Very high	67 Å²	67	31.2 Å²	31.2	33%	0.33	15%	0.15	S	C	.	.	H	α-helix	trans	-66.8	-37.5	177.8	-68	-56	-66.8	0	0	112.6	L281 F282 D287 Q288 R289 M417	L281-M285 WeakPolarHBondContact O-CG 3.39Å; L281-M285 PolarHBondContact O-N 3.39Å; F282-M285 PolarHBondContact O-N 3.4Å; M285-D287 VanDerWaalsContact C-N 3.32Å; M285-Q288 PolarHBondContact O-N 3.21Å; M285-R289 PolarHBondContact O-N 3.21Å; M285-M417 HydrophobicContact CB-CE 3.87Å; M285-M417 HydrophobicContact CB-SD 4.39Å
286	I	93.1	Very high	91.1	Very high	14 Å²	14	30.8 Å²	30.8	7%	0.072	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-48.7	169.3	-71.8	165.4	0	0	0	109.7	F282 Q288 R289 V290 R410 E413 M417	F282-I286 HydrophobicContact CD1-CD1 3.6Å; F282-I286 HydrophobicContact CD1-CG1 4.47Å; F282-I286 HydrophobicContact CE1-CD1 3.32Å; F282-I286 HydrophobicContact CE1-CG1 4.28Å; F282-I286 HydrophobicContact CG-CD1 4.49Å; F282-I286 HydrophobicContact CZ-CD1 4Å; F282-I286 WeakPolarHBondContact O-CG1 3.49Å; F282-I286 PolarHBondContact O-N 3.04Å; I286-Q288 VanDerWaalsContact C-N 3.28Å; I286-Q288 PolarHBondContact O-N 3.5Å; I286-R289 PolarHBondContact O-N 3.11Å; I286-R289 VanDerWaalsContact O-N 3.08Å; I286-V290 HydrophobicContact CG2-CG2 4.22Å; I286-V290 WeakPolarHBondContact O-CG2 3.42Å; I286-V290 PolarHBondContact O-N 3.42Å; I286-R410 HydrophobicContact CG2-CB 4.1Å; I286-R410 HydrophobicContact CG2-CG 4.07Å; I286-E413 HydrophobicContact CG2-CB 4.26Å; I286-M417 HydrophobicContact CB-SD 4.49Å; I286-M417 HydrophobicContact CG1-SD 3.62Å
287	D	97.2	Very high	91.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-32.4	-179.2	-86.3	9.4	0	0	0	112.3	Y276 G283 A284 M285 V290 F291 F321 F350 R410	Y276-D287 HydrophobicContact CE2-CB 4.12Å; G283-D287 PolarHBondContact O-N 2.95Å; A284-D287 PolarHBondContact O-N 3.48Å; M285-D287 VanDerWaalsContact C-N 3.32Å; D287-V290 PolarHBondContact O-N 3.1Å; D287-F291 VanDerWaalsContact O-CB 3.31Å; D287-F291 WeakPolarHBondContact O-CB 3.38Å; D287-F291 PolarHBondContact O-N 3.23Å; D287-F321 HydrophobicContact CB-CD2 4.29Å; D287-F321 HydrophobicContact CB-CE2 4.31Å; D287-F350 HydrophobicContact CB-CE1 4.48Å; D287-F350 HydrophobicContact CB-CE2 4.39Å; D287-F350 HydrophobicContact CB-CZ 3.66Å; D287-F350 VanDerWaalsContact CG-CZ 3.44Å; D287-F350 WeakPolarHBondContact O-CE1 3.33Å; D287-R410 IonicContact OD1-CZ 3.57Å; D287-R410 IonicContact OD1-NE 2.82Å; D287-R410 PolarHBondContact OD1-NE 2.62Å; D287-R410 IonicContact OD1-NH2 2.85Å; D287-R410 PolarHBondContact OD1-NH2 3.45Å; D287-R410 IonicContact OD2-CZ 3.69Å; D287-R410 IonicContact OD2-NE 3.75Å; D287-R410 IonicContact OD2-NH2 3.93Å; D287-R410 PolarHBondContact OD2-NH2 3.02Å
288	Q	97.7	Very high	92.1	Very high	5 Å²	5	36 Å²	36	2%	0.023	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-41.7	171.3	-62.7	-44.6	-61.4	0	0	112.5	A284 M285 I286 F291 R292 S317 L318 F321	A284-Q288 WeakPolarHBondContact O-CG 3.13Å; A284-Q288 PolarHBondContact O-N 2.79Å; M285-Q288 PolarHBondContact O-N 3.21Å; I286-Q288 VanDerWaalsContact C-N 3.28Å; I286-Q288 PolarHBondContact O-N 3.5Å; Q288-F291 PolarHBondContact O-N 3.48Å; Q288-R292 PolarHBondContact O-N 2.94Å; Q288-S317 PolarHBondContact OE1-OG 2.84Å; Q288-L318 HydrophobicContact CG-CB 4.37Å; Q288-L318 HydrophobicContact CG-CD1 4.05Å; Q288-F321 VanDerWaalsContact NE2-CD2 3.28Å
289	R	96.6	Very high	93	Very high	86 Å²	86	35.4 Å²	35.4	33%	0.325	17%	0.172	S	C	.	.	H	α-helix	trans	-66.4	-41.9	175.7	-69.3	-176.2	172.2	-156.3	-4.1	112.1	M285 I286 F291 R292 R293 E413 M417	M285-R289 PolarHBondContact O-N 3.21Å; I286-R289 PolarHBondContact O-N 3.11Å; I286-R289 VanDerWaalsContact O-N 3.08Å; R289-F291 VanDerWaalsContact C-N 3.27Å; R289-F291 PolarHBondContact O-N 3.4Å; R289-R292 PolarHBondContact O-N 2.94Å; R289-R293 PolarHBondContact O-N 2.66Å; R289-E413 HydrophobicContact CB-CB 4.24Å; R289-E413 HydrophobicContact CB-CG 4.08Å; R289-M417 VanDerWaalsContact CZ-CG 3.43Å
290	V	98	Very high	94.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-43	172.9	174	0	0	0	0	110.1	I286 D287 R293 L294 F350 L406 L409 R410 E413	I286-V290 HydrophobicContact CG2-CG2 4.22Å; I286-V290 WeakPolarHBondContact O-CG2 3.42Å; I286-V290 PolarHBondContact O-N 3.42Å; D287-V290 PolarHBondContact O-N 3.1Å; V290-R293 WeakPolarHBondContact O-CB 3.22Å; V290-R293 PolarHBondContact O-N 3.14Å; V290-L294 HydrophobicContact CG1-CD1 4.17Å; V290-L294 WeakPolarHBondContact O-CG 3.33Å; V290-L294 PolarHBondContact O-N 3.03Å; V290-F350 HydrophobicContact CB-CE1 4.02Å; V290-F350 HydrophobicContact CB-CZ 4.29Å; V290-F350 HydrophobicContact CG1-CD1 4.5Å; V290-F350 HydrophobicContact CG1-CE1 3.71Å; V290-F350 HydrophobicContact CG1-CZ 4.05Å; V290-L406 HydrophobicContact CG1-CD2 3.9Å; V290-L409 HydrophobicContact CB-CB 4.48Å; V290-L409 HydrophobicContact CG1-CB 3.84Å; V290-L409 HydrophobicContact CG1-CD1 3.99Å; V290-L409 HydrophobicContact CG2-CB 3.96Å; V290-R410 HydrophobicContact CG2-CG 4.03Å; V290-E413 HydrophobicContact CG2-CB 4.28Å; V290-E413 HydrophobicContact CG2-CG 3.87Å
291	F	98.4	Very high	95.2	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-45.3	178.6	-178.9	-127.5	0	0	0	112.3	D287 Q288 R289 R293 L294 I295 P313 F321 F350 A353 L354 L357	D287-F291 VanDerWaalsContact O-CB 3.31Å; D287-F291 WeakPolarHBondContact O-CB 3.38Å; D287-F291 PolarHBondContact O-N 3.23Å; Q288-F291 PolarHBondContact O-N 3.48Å; R289-F291 VanDerWaalsContact C-N 3.27Å; R289-F291 PolarHBondContact O-N 3.4Å; F291-R293 VanDerWaalsContact C-N 3.25Å; F291-R293 PolarHBondContact O-N 2.8Å; F291-L294 WeakPolarHBondContact O-CB 3.09Å; F291-L294 PolarHBondContact O-N 3.31Å; F291-I295 HydrophobicContact CD1-CD1 3.88Å; F291-I295 HydrophobicContact CD2-CD1 4.42Å; F291-I295 HydrophobicContact CD2-CG1 4.33Å; F291-I295 HydrophobicContact CE1-CD1 3.51Å; F291-I295 HydrophobicContact CE1-CG1 4.3Å; F291-I295 HydrophobicContact CE2-CD1 4.07Å; F291-I295 HydrophobicContact CE2-CG1 3.94Å; F291-I295 HydrophobicContact CG-CD1 4.32Å; F291-I295 HydrophobicContact CZ-CD1 3.61Å; F291-I295 HydrophobicContact CZ-CG1 3.92Å; F291-I295 WeakPolarHBondContact O-CG1 3.42Å; F291-I295 PolarHBondContact O-N 3.27Å; F291-P313 HydrophobicContact CD1-CB 4.46Å; F291-P313 HydrophobicContact CE1-CB 4.31Å; F291-F321 HydrophobicContact CG-CZ 4.41Å; F291-F350 HydrophobicContact CB-CD1 4.07Å; F291-F350 HydrophobicContact CB-CE1 3.87Å; F291-F350 HydrophobicContact CD2-CD1 4.2Å; F291-A353 HydrophobicContact CD2-CB 4.25Å; F291-A353 HydrophobicContact CE1-CB 4.12Å; F291-A353 HydrophobicContact CE2-CB 3.42Å; F291-A353 VanDerWaalsContact CE2-CB 3.42Å; F291-A353 HydrophobicContact CZ-CB 3.34Å; F291-L354 HydrophobicContact CE2-CD2 3.93Å; F291-L354 HydrophobicContact CE2-CG 3.98Å; F291-L357 HydrophobicContact CE1-CD1 4.37Å; F291-L357 HydrophobicContact CE2-CD1 4.44Å; F291-L357 HydrophobicContact CZ-CD1 3.65Å
292	R	97.8	Very high	95.8	Very high	48 Å²	48	34 Å²	34	18%	0.181	16%	0.161	C	C	.	.	H	α-helix	trans	-54.6	-43.1	173.8	-179.5	59.6	176.5	-159.3	-5.9	111.8	Q288 R289 I295 N296 D303 N307 I311	Q288-R292 PolarHBondContact O-N 2.94Å; R289-R292 PolarHBondContact O-N 2.94Å; R292-I295 PolarHBondContact O-N 3.32Å; R292-N296 PolarHBondContact O-N 3.06Å; R292-D303 IonicContact CZ-OD1 2.74Å; R292-D303 IonicContact NE-OD1 3.73Å; R292-N307 PolarHBondContact NH2-OD1 3.27Å; R292-I311 PolarHBondContact NH1-O 3.3Å
293	R	97.4	Very high	96.6	Very high	78 Å²	78	33.5 Å²	33.5	29%	0.294	16%	0.159	S	C	.	.	H	α-helix	trans	-64.7	-40.6	175.5	-173.5	176.7	-179	110.8	21.9	112.9	R289 V290 F291 I295 N296 E297 E413	R289-R293 PolarHBondContact O-N 2.66Å; V290-R293 WeakPolarHBondContact O-CB 3.22Å; V290-R293 PolarHBondContact O-N 3.14Å; F291-R293 VanDerWaalsContact C-N 3.25Å; F291-R293 PolarHBondContact O-N 2.8Å; R293-I295 VanDerWaalsContact C-N 3.34Å; R293-N296 PolarHBondContact O-N 3.01Å; R293-E297 HydrophobicContact CG-CG 4.46Å; R293-E297 WeakPolarHBondContact CG-OE1 3.4Å; R293-E297 IonicContact CZ-OE1 3.53Å; R293-E297 IonicContact NE-OE1 2.81Å; R293-E297 PolarHBondContact NE-OE1 2.92Å; R293-E297 IonicContact NH2-OE1 3.61Å; R293-E297 PolarHBondContact NH2-OE1 3.18Å; R293-E297 VanDerWaalsContact NH2-OE1 3.07Å; R293-E297 WeakPolarHBondContact O-CB 3.33Å; R293-E297 WeakPolarHBondContact O-CG 3.12Å; R293-E297 PolarHBondContact O-N 3.23Å; R293-E413 IonicContact NH1-OE1 3.89Å
294	L	98.5	Very high	97.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-36.2	175.7	-70	171.4	0	0	0	112.1	V290 F291 E297 L298 F350 L354 L406 L409	V290-L294 HydrophobicContact CG1-CD1 4.17Å; V290-L294 WeakPolarHBondContact O-CG 3.33Å; V290-L294 PolarHBondContact O-N 3.03Å; F291-L294 WeakPolarHBondContact O-CB 3.09Å; F291-L294 PolarHBondContact O-N 3.31Å; L294-E297 PolarHBondContact O-N 3.23Å; L294-L298 HydrophobicContact CB-CD1 4.48Å; L294-L298 HydrophobicContact CD2-CD1 4.09Å; L294-L298 WeakPolarHBondContact O-CB 3.25Å; L294-L298 WeakPolarHBondContact O-CG 3.06Å; L294-L298 PolarHBondContact O-N 3.12Å; L294-F350 HydrophobicContact CD1-CB 4.35Å; L294-F350 HydrophobicContact CD1-CD1 3.64Å; L294-F350 HydrophobicContact CD1-CE1 4.27Å; L294-F350 HydrophobicContact CD1-CG 4.27Å; L294-L354 HydrophobicContact CB-CD1 4.36Å; L294-L354 HydrophobicContact CB-CD2 4.29Å; L294-L406 HydrophobicContact CD1-CD2 3.85Å; L294-L409 HydrophobicContact CD2-CD1 3.97Å; L294-L409 HydrophobicContact CG-CD1 4.28Å
295	I	98.4	Very high	97.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-50	172.7	-67.6	164.4	0	0	0	110.1	F291 R292 R293 E297 L299 V302 D303 L306 P313 L354 L357	F291-I295 HydrophobicContact CD1-CD1 3.88Å; F291-I295 HydrophobicContact CD2-CD1 4.42Å; F291-I295 HydrophobicContact CD2-CG1 4.33Å; F291-I295 HydrophobicContact CE1-CD1 3.51Å; F291-I295 HydrophobicContact CE1-CG1 4.3Å; F291-I295 HydrophobicContact CE2-CD1 4.07Å; F291-I295 HydrophobicContact CE2-CG1 3.94Å; F291-I295 HydrophobicContact CG-CD1 4.32Å; F291-I295 HydrophobicContact CZ-CD1 3.61Å; F291-I295 HydrophobicContact CZ-CG1 3.92Å; F291-I295 WeakPolarHBondContact O-CG1 3.42Å; F291-I295 PolarHBondContact O-N 3.27Å; R292-I295 PolarHBondContact O-N 3.32Å; R293-I295 VanDerWaalsContact C-N 3.34Å; I295-E297 VanDerWaalsContact C-N 3.33Å; I295-E297 PolarHBondContact O-N 2.96Å; I295-L299 HydrophobicContact CG2-CB 4.43Å; I295-L299 CarbonylContact O-C 3.6Å; I295-L299 VanDerWaalsContact O-CA 3.24Å; I295-L299 WeakPolarHBondContact O-CA 3.48Å; I295-L299 PolarHBondContact O-N 2.77Å; I295-V302 HydrophobicContact CG2-CG1 4.44Å; I295-D303 HydrophobicContact CG2-CB 3.95Å; I295-L306 HydrophobicContact CD1-CD1 4.44Å; I295-L306 HydrophobicContact CG2-CD1 4Å; I295-P313 HydrophobicContact CD1-CB 3.97Å; I295-P313 HydrophobicContact CD1-CG 3.77Å; I295-L354 HydrophobicContact CG1-CD2 4.28Å; I295-L357 HydrophobicContact CD1-CD1 3.68Å; I295-L357 HydrophobicContact CG1-CD1 3.74Å
296	N	97.9	Very high	97.6	Very high	86 Å²	86	33.6 Å²	33.6	46%	0.46	17%	0.165	S	C	.	.	H	α-helix	trans	-57.9	-44	178.2	177.8	-100.2	0	0	0	112.6	R292 R293 D303	R292-N296 PolarHBondContact O-N 3.06Å; R293-N296 PolarHBondContact O-N 3.01Å; N296-D303 PolarHBondContact ND2-OD2 2.63Å
297	E	97.7	Very high	97.8	Very high	72 Å²	72	36.9 Å²	36.9	34%	0.336	18%	0.183	S	C	.	.	H	α-helix	trans	-79.2	-34.2	-176.1	-69.2	175.1	-176.6	0	0	113.4	R293 L294 I295 R405	R293-E297 HydrophobicContact CG-CG 4.46Å; R293-E297 WeakPolarHBondContact CG-OE1 3.4Å; R293-E297 IonicContact CZ-OE1 3.53Å; R293-E297 IonicContact NE-OE1 2.81Å; R293-E297 PolarHBondContact NE-OE1 2.92Å; R293-E297 IonicContact NH2-OE1 3.61Å; R293-E297 PolarHBondContact NH2-OE1 3.18Å; R293-E297 VanDerWaalsContact NH2-OE1 3.07Å; R293-E297 WeakPolarHBondContact O-CB 3.33Å; R293-E297 WeakPolarHBondContact O-CG 3.12Å; R293-E297 PolarHBondContact O-N 3.23Å; L294-E297 PolarHBondContact O-N 3.23Å; I295-E297 VanDerWaalsContact C-N 3.33Å; I295-E297 PolarHBondContact O-N 2.96Å; E297-R405 IonicContact OE2-CZ 3.61Å; E297-R405 IonicContact OE2-NH2 3.98Å; E297-R405 PolarHBondContact OE2-NH2 3.41Å
298	L	98.3	Very high	97.8	Very high	46 Å²	46	42.9 Å²	42.9	24%	0.241	22%	0.215	C	C	.	.	H	α-helix	trans	-108.9	-23.5	-171.4	-56.6	178.4	0	0	0	114	L294 P300 L354 F397 A400 V401	L294-L298 HydrophobicContact CB-CD1 4.48Å; L294-L298 HydrophobicContact CD2-CD1 4.09Å; L294-L298 WeakPolarHBondContact O-CB 3.25Å; L294-L298 WeakPolarHBondContact O-CG 3.06Å; L294-L298 PolarHBondContact O-N 3.12Å; L298-P300 VanDerWaalsContact C-CD 3.46Å; L298-L354 HydrophobicContact CD1-CD1 3.84Å; L298-F397 HydrophobicContact CB-CE1 4.39Å; L298-F397 HydrophobicContact CD1-CD1 4.26Å; L298-A400 HydrophobicContact CD1-CB 4.18Å; L298-A400 HydrophobicContact CD2-CB 3.99Å; L298-V401 HydrophobicContact CD1-CG2 3.78Å
299	L	98	Very high	97.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.221	C	C	.	.			trans	-131.5	55.6	-178.2	-58.7	178.2	0	0	0	111.1	I295 K301 V302 D303 L354 L357 K358 F397	I295-L299 HydrophobicContact CG2-CB 4.43Å; I295-L299 CarbonylContact O-C 3.6Å; I295-L299 VanDerWaalsContact O-CA 3.24Å; I295-L299 WeakPolarHBondContact O-CA 3.48Å; I295-L299 PolarHBondContact O-N 2.77Å; L299-K301 PolarHBondContact O-N 3.46Å; L299-V302 HydrophobicContact CB-CB 3.98Å; L299-V302 HydrophobicContact CB-CG2 4.04Å; L299-V302 HydrophobicContact CD1-CG2 4.47Å; L299-V302 WeakPolarHBondContact O-CA 3.42Å; L299-V302 WeakPolarHBondContact O-CB 3.37Å; L299-V302 PolarHBondContact O-N 2.91Å; L299-D303 PolarHBondContact O-N 2.97Å; L299-L354 HydrophobicContact CD1-CB 4.48Å; L299-L354 HydrophobicContact CD1-CD2 3.8Å; L299-L354 HydrophobicContact CG-CD2 4.26Å; L299-L357 HydrophobicContact CD1-CB 3.68Å; L299-L357 HydrophobicContact CD1-CD1 4.29Å; L299-K358 HydrophobicContact CD2-CB 3.95Å; L299-K358 HydrophobicContact CD2-CD 3.39Å; L299-K358 HydrophobicContact CD2-CG 4.22Å; L299-F397 HydrophobicContact CD2-CE1 4.47Å; L299-F397 HydrophobicContact CD2-CZ 4.14Å
300	P	98	Very high	97.6	Very high	83 Å²	83	47.4 Å²	47.4	54%	0.539	25%	0.245	S	C	.	.	H	α-helix	trans	-59.4	-26.7	-171.9	24.1	-35.7	0	0	0	113.8	L298 S304	L298-P300 VanDerWaalsContact C-CD 3.46Å; P300-S304 WeakPolarHBondContact O-CB 3.3Å; P300-S304 PolarHBondContact O-N 3.03Å
301	K	97.9	Very high	97.5	Very high	103 Å²	103	47.9 Å²	47.9	45%	0.448	25%	0.247	S	C	.	.	H	α-helix	trans	-70.4	-40.4	174.3	-69.5	167.5	177.1	178.5	0	112.3	L299 V305 E361	L299-K301 PolarHBondContact O-N 3.46Å; K301-V305 WeakPolarHBondContact O-CG2 3.42Å; K301-V305 PolarHBondContact O-N 2.95Å; K301-E361 HydrophobicContact CB-CG 4.12Å; K301-E361 HydrophobicContact CD-CG 4.5Å; K301-E361 WeakPolarHBondContact CD-OE1 3.47Å; K301-E361 IonicContact NZ-OE1 3.48Å; K301-E361 PolarHBondContact NZ-OE1 3.3Å
302	V	97.9	Very high	97.3	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-67.8	-43.2	173.7	-180	0	0	0	0	109.4	I295 L299 S304 V305 L306 L357 E361 L364	I295-V302 HydrophobicContact CG2-CG1 4.44Å; L299-V302 HydrophobicContact CB-CB 3.98Å; L299-V302 HydrophobicContact CB-CG2 4.04Å; L299-V302 HydrophobicContact CD1-CG2 4.47Å; L299-V302 WeakPolarHBondContact O-CA 3.42Å; L299-V302 WeakPolarHBondContact O-CB 3.37Å; L299-V302 PolarHBondContact O-N 2.91Å; V302-S304 VanDerWaalsContact C-N 3.31Å; V302-S304 PolarHBondContact O-N 2.93Å; V302-V305 PolarHBondContact O-N 2.9Å; V302-V305 VanDerWaalsContact O-N 3.13Å; V302-L306 HydrophobicContact CG1-CD1 3.93Å; V302-L306 HydrophobicContact CG1-CG 4.32Å; V302-L306 WeakPolarHBondContact O-CG 3.47Å; V302-L306 PolarHBondContact O-N 2.82Å; V302-L357 HydrophobicContact CG1-CB 4.38Å; V302-L357 HydrophobicContact CG1-CD1 4.38Å; V302-L357 HydrophobicContact CG1-CD2 4.29Å; V302-E361 HydrophobicContact CG2-CB 3.95Å; V302-E361 HydrophobicContact CG2-CG 3.8Å; V302-L364 HydrophobicContact CG1-CD1 4.17Å
303	D	98.2	Very high	97.2	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.053	26%	0.26	C	S	.	.	H	α-helix	trans	-56.3	-44.6	175.7	-166.5	66.8	0	0	0	111.9	R292 I295 N296 L299 V305 L306 N307	R292-D303 IonicContact CZ-OD1 2.74Å; R292-D303 IonicContact NE-OD1 3.73Å; I295-D303 HydrophobicContact CG2-CB 3.95Å; N296-D303 PolarHBondContact ND2-OD2 2.63Å; L299-D303 PolarHBondContact O-N 2.97Å; D303-V305 PolarHBondContact O-N 3.42Å; D303-L306 PolarHBondContact O-N 3.36Å; D303-N307 WeakPolarHBondContact O-CB 3.44Å; D303-N307 PolarHBondContact O-N 3.38Å; D303-N307 PolarHBondContact O-ND2 2.85Å; D303-N307 PolarHBondContact OD2-ND2 3.49Å
304	S	97.8	Very high	97.1	Very high	56 Å²	56	47.4 Å²	47.4	39%	0.392	26%	0.255	S	S	.	.	H	α-helix	trans	-60.4	-42.6	175.5	179	0	0	0	0	112.6	P300 V302 N307 N308	P300-S304 WeakPolarHBondContact O-CB 3.3Å; P300-S304 PolarHBondContact O-N 3.03Å; V302-S304 VanDerWaalsContact C-N 3.31Å; V302-S304 PolarHBondContact O-N 2.93Å; S304-N307 PolarHBondContact O-N 3.39Å; S304-N308 WeakPolarHBondContact O-CB 3.37Å; S304-N308 PolarHBondContact O-N 3.22Å; S304-N308 PolarHBondContact O-ND2 3.48Å; S304-N308 PolarHBondContact O-OD1 3.29Å
305	V	97.8	Very high	96.9	Very high	12 Å²	12	53 Å²	53	7%	0.073	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-48.2	175.5	173.1	0	0	0	0	110.1	K301 V302 D303 N307 N308 H309 L364 R365 V373	K301-V305 WeakPolarHBondContact O-CG2 3.42Å; K301-V305 PolarHBondContact O-N 2.95Å; V302-V305 PolarHBondContact O-N 2.9Å; V302-V305 VanDerWaalsContact O-N 3.13Å; D303-V305 PolarHBondContact O-N 3.42Å; V305-N307 VanDerWaalsContact C-N 3.34Å; V305-N307 PolarHBondContact O-N 2.87Å; V305-N308 PolarHBondContact O-N 2.87Å; V305-H309 WeakPolarHBondContact O-CB 3.35Å; V305-H309 PolarHBondContact O-CD2 3.02Å; V305-H309 PolarHBondContact O-N 2.78Å; V305-L364 HydrophobicContact CG1-CB 4.34Å; V305-L364 WeakPolarHBondContact CG1-O 3.47Å; V305-R365 HydrophobicContact CG2-CB 4.41Å; V305-R365 HydrophobicContact CG2-CG 3.81Å; V305-V373 HydrophobicContact CG1-CG1 4.09Å; V305-V373 HydrophobicContact CG1-CG2 4.33Å
306	L	97.4	Very high	96.7	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-42.3	179.5	-66.9	166.6	0	0	0	112.4	I295 V302 D303 H309 D310 I311 P313 L377	I295-L306 HydrophobicContact CD1-CD1 4.44Å; I295-L306 HydrophobicContact CG2-CD1 4Å; V302-L306 HydrophobicContact CG1-CD1 3.93Å; V302-L306 HydrophobicContact CG1-CG 4.32Å; V302-L306 WeakPolarHBondContact O-CG 3.47Å; V302-L306 PolarHBondContact O-N 2.82Å; D303-L306 PolarHBondContact O-N 3.36Å; L306-H309 PolarHBondContact O-N 2.84Å; L306-D310 PolarHBondContact O-N 3.3Å; L306-I311 HydrophobicContact CD2-CB 4.01Å; L306-I311 HydrophobicContact CD2-CG2 3.9Å; L306-I311 PolarHBondContact O-N 2.97Å; L306-P313 HydrophobicContact CD1-CG 3.83Å; L306-L377 HydrophobicContact CD2-CD1 3.7Å
307	N	96.9	Very high	96.6	Very high	82 Å²	82	49.7 Å²	49.7	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-45.1	175.5	-73.1	-42.3	0	0	0	112	R292 D303 S304 V305 H309 D310	R292-N307 PolarHBondContact NH2-OD1 3.27Å; D303-N307 WeakPolarHBondContact O-CB 3.44Å; D303-N307 PolarHBondContact O-N 3.38Å; D303-N307 PolarHBondContact O-ND2 2.85Å; D303-N307 PolarHBondContact OD2-ND2 3.49Å; S304-N307 PolarHBondContact O-N 3.39Å; V305-N307 VanDerWaalsContact C-N 3.34Å; V305-N307 PolarHBondContact O-N 2.87Å; N307-H309 PolarHBondContact O-N 3.17Å; N307-D310 PolarHBondContact O-N 3.36Å
308	N	96.6	Very high	96.5	Very high	127 Å²	127	48.1 Å²	48.1	68%	0.679	26%	0.26	S	S	*	.	H	α-helix	trans	-63.6	-29.2	-179.7	-69.4	-10.9	0	0	0	112.4	S304 V305	S304-N308 WeakPolarHBondContact O-CB 3.37Å; S304-N308 PolarHBondContact O-N 3.22Å; S304-N308 PolarHBondContact O-ND2 3.48Å; S304-N308 PolarHBondContact O-OD1 3.29Å; V305-N308 PolarHBondContact O-N 2.87Å
309	H	95.9	Very high	96.3	Very high	33 Å²	33	50.4 Å²	50.4	15%	0.153	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-0	178.7	-72.4	-67.1	0	0	0	114.5	V305 L306 N307 I311 T368 S370	V305-H309 WeakPolarHBondContact O-CB 3.35Å; V305-H309 PolarHBondContact O-CD2 3.02Å; V305-H309 PolarHBondContact O-N 2.78Å; L306-H309 PolarHBondContact O-N 2.84Å; N307-H309 PolarHBondContact O-N 3.17Å; H309-I311 VanDerWaalsContact C-N 3.31Å; H309-I311 HydrophobicContact CB-CD1 3.76Å; H309-I311 HydrophobicContact CB-CG1 3.91Å; H309-I311 PolarHBondContact O-N 3.42Å; H309-T368 PolarHBondContact CE1-O 3.27Å; H309-S370 WeakPolarHBondContact CB-OG 3.48Å; H309-S370 PolarHBondContact ND1-N 2.95Å; H309-S370 PolarHBondContact ND1-OG 2.94Å; H309-S370 VanDerWaalsContact ND1-OG 3.09Å; H309-S370 PolarHBondContact O-OG 3.43Å
310	D	94.9	Very high	96.3	Very high	153 Å²	153	50.8 Å²	50.8	82%	0.818	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	43.8	-174.5	-162.1	31.9	0	0	0	113.5	L306 N307	L306-D310 PolarHBondContact O-N 3.3Å; N307-D310 PolarHBondContact O-N 3.36Å
311	I	95.7	Very high	96.3	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.051	25%	0.245	C	C	.	.			trans	-102.7	115.5	-179.4	-62.2	172.9	0	0	0	109.7	R292 L306 H309 P313 V373 F374 L377	R292-I311 PolarHBondContact NH1-O 3.3Å; L306-I311 HydrophobicContact CD2-CB 4.01Å; L306-I311 HydrophobicContact CD2-CG2 3.9Å; L306-I311 PolarHBondContact O-N 2.97Å; H309-I311 VanDerWaalsContact C-N 3.31Å; H309-I311 HydrophobicContact CB-CD1 3.76Å; H309-I311 HydrophobicContact CB-CG1 3.91Å; H309-I311 PolarHBondContact O-N 3.42Å; I311-P313 WeakPolarHBondContact O-CD 3.29Å; I311-V373 HydrophobicContact CD1-CB 3.74Å; I311-V373 HydrophobicContact CD1-CG1 3.6Å; I311-F374 HydrophobicContact CD1-CB 4.42Å; I311-L377 HydrophobicContact CG2-CD1 4.17Å
312	E	95.3	Very high	96.2	Very high	79 Å²	79	42.7 Å²	42.7	37%	0.369	23%	0.227	S	C	.	.			trans	-79.9	119.8	169.5	-174	59	-139.3	0	0	110.2	S314 L315	E312-S314 VanDerWaalsContact CG-OG 3.24Å; E312-S314 WeakPolarHBondContact CG-OG 3.44Å; E312-S314 PolarHBondContact O-N 3.04Å; E312-S314 VanDerWaalsContact O-N 3.12Å; E312-L315 HydrophobicContact CB-CG 4.39Å; E312-L315 WeakPolarHBondContact O-CB 3.48Å; E312-L315 WeakPolarHBondContact O-CG 3.4Å; E312-L315 PolarHBondContact O-N 3.14Å; E312-L315 VanDerWaalsContact O-N 3.11Å
313	P	94.2	Very high	96.2	Very high	12 Å²	12	42.7 Å²	42.7	8%	0.078	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.3	-178.1	-29.8	38	0	0	0	113.3	F291 I295 L306 I311 L315 I316 S317	F291-P313 HydrophobicContact CD1-CB 4.46Å; F291-P313 HydrophobicContact CE1-CB 4.31Å; I295-P313 HydrophobicContact CD1-CB 3.97Å; I295-P313 HydrophobicContact CD1-CG 3.77Å; L306-P313 HydrophobicContact CD1-CG 3.83Å; I311-P313 WeakPolarHBondContact O-CD 3.29Å; P313-L315 PolarHBondContact O-N 3.31Å; P313-L315 VanDerWaalsContact O-N 3.07Å; P313-I316 PolarHBondContact O-N 3.15Å; P313-S317 VanDerWaalsContact C-OG 3.31Å; P313-S317 PolarHBondContact O-N 2.94Å; P313-S317 PolarHBondContact O-OG 3.02Å
314	S	94.9	Very high	96.2	Very high	27 Å²	27	42.3 Å²	42.3	19%	0.189	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-20.7	-178.8	70.7	0	0	0	0	113.6	E312 I316 L318	E312-S314 VanDerWaalsContact CG-OG 3.24Å; E312-S314 WeakPolarHBondContact CG-OG 3.44Å; E312-S314 PolarHBondContact O-N 3.04Å; E312-S314 VanDerWaalsContact O-N 3.12Å; S314-I316 PolarHBondContact O-N 3.08Å; S314-L318 WeakPolarHBondContact O-CB 3.4Å; S314-L318 PolarHBondContact O-N 3.18Å
315	L	94.9	Very high	96.2	Very high	118 Å²	118	39.6 Å²	39.6	62%	0.618	21%	0.206	S	C	*	.	H	α-helix	trans	-59.4	-24.9	173.1	-66	173.7	0	0	0	112.5	E312 P313 F374	E312-L315 HydrophobicContact CB-CG 4.39Å; E312-L315 WeakPolarHBondContact O-CB 3.48Å; E312-L315 WeakPolarHBondContact O-CG 3.4Å; E312-L315 PolarHBondContact O-N 3.14Å; E312-L315 VanDerWaalsContact O-N 3.11Å; P313-L315 PolarHBondContact O-N 3.31Å; P313-L315 VanDerWaalsContact O-N 3.07Å; L315-F374 HydrophobicContact CB-CE2 4.02Å; L315-F374 HydrophobicContact CD1-CE2 4.3Å
316	I	94	Very high	96.1	Very high	14 Å²	14	39.6 Å²	39.6	7%	0.072	21%	0.207	C	C	.	.	H	α-helix	trans	-118.2	-50.5	-177	-56.7	172.2	0	0	0	110.1	P313 S314 L318 H319 W320 F374 L377	P313-I316 PolarHBondContact O-N 3.15Å; S314-I316 PolarHBondContact O-N 3.08Å; I316-L318 VanDerWaalsContact C-N 3.27Å; I316-L318 PolarHBondContact O-N 3.33Å; I316-H319 PolarHBondContact O-N 3.48Å; I316-W320 HydrophobicContact CG2-CD2 4.37Å; I316-W320 VanDerWaalsContact CG2-CE2 3.49Å; I316-W320 HydrophobicContact CG2-CH2 4.12Å; I316-W320 HydrophobicContact CG2-CZ2 3.35Å; I316-F374 HydrophobicContact CD1-CD2 3.88Å; I316-F374 HydrophobicContact CD1-CE2 3.79Å; I316-F374 HydrophobicContact CD1-CG 4.4Å; I316-F374 HydrophobicContact CD1-CZ 4.23Å; I316-F374 HydrophobicContact CG1-CD2 4.34Å; I316-F374 HydrophobicContact CG1-CE2 3.73Å; I316-F374 HydrophobicContact CG1-CZ 3.97Å; I316-L377 HydrophobicContact CD1-CB 3.33Å; I316-L377 HydrophobicContact CD1-CD1 4.14Å; I316-L377 HydrophobicContact CD1-CG 4.38Å
317	S	96.3	Very high	95.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.014	23%	0.228	C	C	.	.	H	α-helix	trans	-69.4	-20.4	-173.3	56	0	0	0	0	114.3	Q288 P313 H319 W320 F321	Q288-S317 PolarHBondContact OE1-OG 2.84Å; P313-S317 VanDerWaalsContact C-OG 3.31Å; P313-S317 PolarHBondContact O-N 2.94Å; P313-S317 PolarHBondContact O-OG 3.02Å; S317-H319 VanDerWaalsContact C-N 3.33Å; S317-H319 PolarHBondContact O-N 3.26Å; S317-W320 WeakPolarHBondContact O-CB 3.49Å; S317-W320 PolarHBondContact O-N 3.19Å; S317-F321 WeakPolarHBondContact O-CB 3.44Å; S317-F321 WeakPolarHBondContact O-CD1 3.45Å; S317-F321 PolarHBondContact O-N 3.48Å
318	L	95.7	Very high	95.7	Very high	39 Å²	39	39.8 Å²	39.8	20%	0.204	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-43.4	173.9	-178.9	62.4	0	0	0	111	A284 Q288 S314 I316 F321 L322	A284-L318 HydrophobicContact CB-CD1 3.94Å; Q288-L318 HydrophobicContact CG-CB 4.37Å; Q288-L318 HydrophobicContact CG-CD1 4.05Å; S314-L318 WeakPolarHBondContact O-CB 3.4Å; S314-L318 PolarHBondContact O-N 3.18Å; I316-L318 VanDerWaalsContact C-N 3.27Å; I316-L318 PolarHBondContact O-N 3.33Å; L318-F321 PolarHBondContact O-N 3.29Å; L318-L322 HydrophobicContact CD1-CD1 3.92Å; L318-L322 HydrophobicContact CD1-CG 4.03Å; L318-L322 HydrophobicContact CD2-CD1 4.46Å; L318-L322 HydrophobicContact CG-CD1 3.82Å; L318-L322 HydrophobicContact CG-CG 4.32Å; L318-L322 WeakPolarHBondContact O-CB 3.34Å; L318-L322 VanDerWaalsContact O-CG 3.32Å; L318-L322 WeakPolarHBondContact O-CG 3.48Å; L318-L322 PolarHBondContact O-N 2.61Å
319	H	95.1	Very high	95.7	Very high	93 Å²	93	34.2 Å²	34.2	43%	0.431	19%	0.185	S	C	.	.	H	α-helix	trans	-66.2	-41	178	-176.9	66.8	0	0	0	111.9	I316 S317 F321 T323 S327	I316-H319 PolarHBondContact O-N 3.48Å; S317-H319 VanDerWaalsContact C-N 3.33Å; S317-H319 PolarHBondContact O-N 3.26Å; H319-F321 VanDerWaalsContact C-N 3.27Å; H319-F321 PolarHBondContact O-N 3.43Å; H319-T323 VanDerWaalsContact CE1-CG2 3.45Å; H319-T323 WeakPolarHBondContact CE1-CG2 3.47Å; H319-T323 WeakPolarHBondContact O-CB 3.43Å; H319-T323 WeakPolarHBondContact O-CG2 3.45Å; H319-T323 PolarHBondContact O-N 2.96Å; H319-T323 VanDerWaalsContact O-N 3.15Å; H319-T323 PolarHBondContact O-OG1 2.76Å; H319-S327 WeakPolarHBondContact NE2-CB 3.3Å
320	W	97.6	Very high	95.6	Very high	10 Å²	10	34.3 Å²	34.3	4%	0.038	19%	0.189	C	C	.	.	H	α-helix	trans	-55.5	-45.3	174.4	-61.9	-10.9	0	0	0	111.5	I316 S317 L324 Y325 A353 L356 L377 L380 P381	I316-W320 HydrophobicContact CG2-CD2 4.37Å; I316-W320 VanDerWaalsContact CG2-CE2 3.49Å; I316-W320 HydrophobicContact CG2-CH2 4.12Å; I316-W320 HydrophobicContact CG2-CZ2 3.35Å; S317-W320 WeakPolarHBondContact O-CB 3.49Å; S317-W320 PolarHBondContact O-N 3.19Å; W320-L324 PolarHBondContact O-N 2.98Å; W320-Y325 HydrophobicContact CB-CD1 3.88Å; W320-Y325 HydrophobicContact CB-CE1 3.55Å; W320-Y325 HydrophobicContact CD2-CE1 4.07Å; W320-Y325 HydrophobicContact CE3-CE1 4.16Å; W320-Y325 HydrophobicContact CG-CD1 4.18Å; W320-Y325 AromaticContact CG-CE1 3.86Å; W320-Y325 HydrophobicContact CG-CE1 3.86Å; W320-Y325 PolarHBondContact O-N 3.38Å; W320-A353 HydrophobicContact CE3-CB 4.25Å; W320-A353 HydrophobicContact CZ3-CB 4.31Å; W320-L356 HydrophobicContact CE3-CD1 4.43Å; W320-L356 HydrophobicContact CH2-CD1 4.39Å; W320-L356 HydrophobicContact CZ3-CD1 4.25Å; W320-L377 WeakPolarHBondContact CZ2-O 3.24Å; W320-L380 HydrophobicContact CH2-CD1 4.46Å; W320-P381 HydrophobicContact CD2-CG 4.39Å; W320-P381 HydrophobicContact CZ2-CG 3.73Å
321	F	97.8	Very high	95.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-74.3	-45.7	-175.7	-83.2	28.7	0	0	0	112.1	Y276 D287 Q288 F291 S317 L318 H319 T323 L324 L349 F350 A353	Y276-F321 WeakPolarHBondContact OH-CB 3.48Å; Y276-F321 VanDerWaalsContact OH-CD2 3.29Å; Y276-F321 WeakPolarHBondContact OH-CD2 3.29Å; D287-F321 HydrophobicContact CB-CD2 4.29Å; D287-F321 HydrophobicContact CB-CE2 4.31Å; Q288-F321 VanDerWaalsContact NE2-CD2 3.28Å; F291-F321 HydrophobicContact CG-CZ 4.41Å; S317-F321 WeakPolarHBondContact O-CB 3.44Å; S317-F321 WeakPolarHBondContact O-CD1 3.45Å; S317-F321 PolarHBondContact O-N 3.48Å; L318-F321 PolarHBondContact O-N 3.29Å; H319-F321 VanDerWaalsContact C-N 3.27Å; H319-F321 PolarHBondContact O-N 3.43Å; F321-T323 VanDerWaalsContact C-N 3.26Å; F321-T323 PolarHBondContact O-N 3.24Å; F321-L324 PolarHBondContact O-N 2.68Å; F321-L349 HydrophobicContact CD1-CB 4.12Å; F321-L349 HydrophobicContact CE1-CB 3.92Å; F321-L349 HydrophobicContact CZ-CB 4.15Å; F321-F350 HydrophobicContact CE2-CD1 4.22Å; F321-F350 HydrophobicContact CE2-CD2 4.5Å; F321-F350 AromaticContact CE2-CE1 3.94Å; F321-F350 HydrophobicContact CE2-CE1 3.94Å; F321-F350 HydrophobicContact CE2-CE2 4.21Å; F321-F350 AromaticContact CE2-CZ 3.96Å; F321-F350 HydrophobicContact CE2-CZ 3.96Å; F321-F350 HydrophobicContact CZ-CD1 4.1Å; F321-F350 HydrophobicContact CZ-CE1 4.28Å; F321-F350 HydrophobicContact CZ-CG 4.28Å; F321-A353 HydrophobicContact CE1-CB 3.94Å; F321-A353 HydrophobicContact CZ-CB 4.39Å
322	L	95.7	Very high	95.4	Very high	16 Å²	16	30.1 Å²	30.1	8%	0.084	17%	0.168	C	C	.	.	H	α-helix	trans	-63.9	-32.3	-178.9	-73.1	175	0	0	0	112.8	Y276 Y277 L281 A284 L318	Y276-L322 HydrophobicContact CD1-CD2 4.15Å; Y276-L322 HydrophobicContact CE1-CD2 4.2Å; Y277-L322 HydrophobicContact CD1-CD2 3.97Å; Y277-L322 HydrophobicContact CE1-CD2 3.95Å; Y277-L322 WeakPolarHBondContact CE1-O 3.36Å; Y277-L322 PolarHBondContact OH-O 3.22Å; L281-L322 HydrophobicContact CD1-CD1 4.04Å; A284-L322 HydrophobicContact CB-CD2 4.01Å; L318-L322 HydrophobicContact CD1-CD1 3.92Å; L318-L322 HydrophobicContact CD1-CG 4.03Å; L318-L322 HydrophobicContact CD2-CD1 4.46Å; L318-L322 HydrophobicContact CG-CD1 3.82Å; L318-L322 HydrophobicContact CG-CG 4.32Å; L318-L322 WeakPolarHBondContact O-CB 3.34Å; L318-L322 VanDerWaalsContact O-CG 3.32Å; L318-L322 WeakPolarHBondContact O-CG 3.48Å; L318-L322 PolarHBondContact O-N 2.61Å
323	T	96.7	Very high	95.4	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	1.3	179.5	64.6	0	0	0	0	113.4	V246 H319 F321 Y325 S326	V246-T323 HydrophobicContact CG1-CG2 4.16Å; H319-T323 VanDerWaalsContact CE1-CG2 3.45Å; H319-T323 WeakPolarHBondContact CE1-CG2 3.47Å; H319-T323 WeakPolarHBondContact O-CB 3.43Å; H319-T323 WeakPolarHBondContact O-CG2 3.45Å; H319-T323 PolarHBondContact O-N 2.96Å; H319-T323 VanDerWaalsContact O-N 3.15Å; H319-T323 PolarHBondContact O-OG1 2.76Å; F321-T323 VanDerWaalsContact C-N 3.26Å; F321-T323 PolarHBondContact O-N 3.24Å; T323-Y325 PolarHBondContact O-N 3.4Å; T323-S326 WeakPolarHBondContact CB-OG 3.18Å; T323-S326 WeakPolarHBondContact O-CB 3.39Å; T323-S326 PolarHBondContact O-N 3.37Å; T323-S326 PolarHBondContact O-OG 3.12Å
324	L	98.1	Very high	95.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	40	-171.7	-50.7	178.4	0	0	0	111.9	I247 V267 L272 W320 F321 S326 L334 W338 F341 L349	I247-L324 HydrophobicContact CD1-CB 4.42Å; I247-L324 HydrophobicContact CD1-CD1 3.88Å; I247-L324 HydrophobicContact CD1-CG 3.79Å; I247-L324 HydrophobicContact CG1-CD1 4.41Å; I247-L324 HydrophobicContact CG1-CG 4.44Å; I247-L324 HydrophobicContact CG2-CD1 4.22Å; V267-L324 HydrophobicContact CG1-CD1 4.12Å; L272-L324 HydrophobicContact CD1-CD2 4.49Å; L272-L324 HydrophobicContact CD2-CD2 4.17Å; W320-L324 PolarHBondContact O-N 2.98Å; F321-L324 PolarHBondContact O-N 2.68Å; L324-S326 PolarHBondContact O-N 3.49Å; L324-L334 WeakPolarHBondContact O-CD1 3.41Å; L324-W338 HydrophobicContact CB-CZ2 4.48Å; L324-W338 PolarHBondContact O-NE1 3.09Å; L324-F341 HydrophobicContact CD1-CD1 4.21Å; L324-F341 HydrophobicContact CD1-CE1 3.56Å; L324-F341 HydrophobicContact CD1-CZ 3.8Å; L324-F341 HydrophobicContact CD2-CE1 4.26Å; L324-F341 HydrophobicContact CD2-CE2 3.83Å; L324-F341 HydrophobicContact CD2-CZ 3.69Å; L324-F341 HydrophobicContact CG-CZ 4.41Å; L324-L349 HydrophobicContact CD2-CD1 3.87Å; L324-L349 HydrophobicContact CD2-CD2 3.98Å
325	Y	98	Very high	95.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	6.4	-174.2	-60.2	-87.3	0	0	0	116.7	W320 T323 S327 S328 L329 L349 V352 A353 L356	W320-Y325 HydrophobicContact CB-CD1 3.88Å; W320-Y325 HydrophobicContact CB-CE1 3.55Å; W320-Y325 HydrophobicContact CD2-CE1 4.07Å; W320-Y325 HydrophobicContact CE3-CE1 4.16Å; W320-Y325 HydrophobicContact CG-CD1 4.18Å; W320-Y325 AromaticContact CG-CE1 3.86Å; W320-Y325 HydrophobicContact CG-CE1 3.86Å; W320-Y325 PolarHBondContact O-N 3.38Å; T323-Y325 PolarHBondContact O-N 3.4Å; Y325-S327 PolarHBondContact O-N 3.12Å; Y325-S328 PolarHBondContact O-N 3.21Å; Y325-L329 HydrophobicContact CD1-CD1 4.12Å; Y325-L329 HydrophobicContact CD1-CG 4.17Å; Y325-L329 HydrophobicContact CG-CD1 3.82Å; Y325-L329 HydrophobicContact CG-CG 4.23Å; Y325-L329 PolarHBondContact O-N 3.36Å; Y325-L349 HydrophobicContact CD2-CD2 3.95Å; Y325-L349 HydrophobicContact CE2-CB 4.33Å; Y325-L349 HydrophobicContact CE2-CD2 3.68Å; Y325-L349 PolarHBondContact OH-O 3.12Å; Y325-V352 HydrophobicContact CD1-CG1 4.44Å; Y325-V352 HydrophobicContact CD2-CG1 4.43Å; Y325-V352 HydrophobicContact CE1-CG1 3.89Å; Y325-V352 HydrophobicContact CE2-CB 4.08Å; Y325-V352 HydrophobicContact CE2-CG1 3.9Å; Y325-A353 WeakPolarHBondContact OH-CB 3.33Å; Y325-A353 PolarHBondContact OH-N 2.98Å; Y325-A353 VanDerWaalsContact OH-N 3.16Å; Y325-L356 HydrophobicContact CE1-CD1 3.87Å
326	S	96.4	Very high	95.8	Very high	12 Å²	12	20.8 Å²	20.8	8%	0.084	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.5	-171.9	67.7	0	0	0	0	114.6	V246 T323 L324	V246-S326 WeakPolarHBondContact CG1-OG 3.44Å; V246-S326 VanDerWaalsContact CG2-OG 3.31Å; V246-S326 WeakPolarHBondContact CG2-OG 3.42Å; T323-S326 WeakPolarHBondContact CB-OG 3.18Å; T323-S326 WeakPolarHBondContact O-CB 3.39Å; T323-S326 PolarHBondContact O-N 3.37Å; T323-S326 PolarHBondContact O-OG 3.12Å; L324-S326 PolarHBondContact O-N 3.49Å
327	S	91.9	Very high	96	Very high	65 Å²	65	20.1 Å²	20.1	46%	0.455	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	0.4	179.4	-58.8	0	0	0	0	113.4	H319 Y325	H319-S327 WeakPolarHBondContact NE2-CB 3.3Å; Y325-S327 PolarHBondContact O-N 3.12Å
328	S	93.9	Very high	96.1	Very high	24 Å²	24	20.1 Å²	20.1	17%	0.168	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-42.4	-168.6	-49.3	0	0	0	0	113.6	Y325 P381 S382	Y325-S328 PolarHBondContact O-N 3.21Å; S328-P381 CarbonylContact O-C 3.52Å; S328-P381 WeakPolarHBondContact O-CB 3.18Å; S328-S382 PolarHBondContact O-N 3.14Å
329	L	96.5	Very high	96.2	Very high	10 Å²	10	18.2 Å²	18.2	5%	0.052	10%	0.102	C	C	.	.	S	Bend	trans	-82.8	145.1	179	-74.7	173.1	0	0	0	111.4	Y325 V333 L334 I337 P381 L390	Y325-L329 HydrophobicContact CD1-CD1 4.12Å; Y325-L329 HydrophobicContact CD1-CG 4.17Å; Y325-L329 HydrophobicContact CG-CD1 3.82Å; Y325-L329 HydrophobicContact CG-CG 4.23Å; Y325-L329 PolarHBondContact O-N 3.36Å; L329-V333 HydrophobicContact CD1-CG1 4.47Å; L329-V333 HydrophobicContact CD2-CG1 4.25Å; L329-L334 HydrophobicContact CB-CB 4.14Å; L329-I337 HydrophobicContact CD1-CB 4.4Å; L329-I337 HydrophobicContact CD1-CG1 3.78Å; L329-P381 HydrophobicContact CD2-CB 3.9Å; L329-P381 WeakPolarHBondContact CD2-O 3.27Å; L329-P381 HydrophobicContact CG-CB 4.27Å; L329-L390 HydrophobicContact CD2-CD2 4.19Å
330	P	94.7	Very high	96.4	Very high	35 Å²	35	14 Å²	14	23%	0.227	8%	0.082	C	C	.	.			trans	-55.2	140.7	166.4	-27.3	38.5	0	0	0	111.4	V333 L334 P381 F384 T385	P330-V333 PolarHBondContact O-N 3.31Å; P330-L334 PolarHBondContact O-N 2.82Å; P330-P381 WeakPolarHBondContact CD-O 3.33Å; P330-F384 WeakPolarHBondContact CD-O 3.05Å; P330-F384 VanDerWaalsContact CG-O 3.26Å; P330-F384 WeakPolarHBondContact CG-O 3.37Å; P330-T385 HydrophobicContact CG-CG2 4.5Å
331	F	93	Very high	96.4	Very high	27 Å²	27	13.5 Å²	13.5	12%	0.118	8%	0.08	C	C	.	.	H	α-helix	trans	-55.1	-44.3	-167.4	-160.8	-96.2	0	0	0	114.5	F86 F88 I250 L253 F254 V333 L334 L335	F86-F331 HydrophobicContact CB-CD1 4.14Å; F86-F331 HydrophobicContact CB-CE1 3.78Å; F86-F331 HydrophobicContact CB-CZ 4.39Å; F86-F331 HydrophobicContact CD1-CD1 4.01Å; F86-F331 AromaticContact CD1-CE1 3.39Å; F86-F331 HydrophobicContact CD1-CE1 3.39Å; F86-F331 HydrophobicContact CD1-CZ 4.38Å; F86-F331 AromaticContact CD2-CD1 3.42Å; F86-F331 HydrophobicContact CD2-CD1 3.42Å; F86-F331 VanDerWaalsContact CD2-CD1 3.42Å; F86-F331 AromaticContact CD2-CE1 3.71Å; F86-F331 HydrophobicContact CD2-CE1 3.71Å; F86-F331 HydrophobicContact CD2-CG 4.49Å; F86-F331 HydrophobicContact CE1-CD1 4.31Å; F86-F331 AromaticContact CE1-CE1 3.88Å; F86-F331 HydrophobicContact CE1-CE1 3.88Å; F86-F331 AromaticContact CE2-CD1 3.78Å; F86-F331 HydrophobicContact CE2-CD1 3.78Å; F86-F331 HydrophobicContact CE2-CE1 4.17Å; F86-F331 AromaticContact CG-CD1 3.56Å; F86-F331 HydrophobicContact CG-CD1 3.56Å; F86-F331 AromaticContact CG-CE1 3.3Å; F86-F331 HydrophobicContact CG-CE1 3.3Å; F86-F331 HydrophobicContact CG-CZ 4.31Å; F86-F331 HydrophobicContact CZ-CD1 4.23Å; F86-F331 HydrophobicContact CZ-CE1 4.26Å; F88-F331 HydrophobicContact CE2-CB 4.46Å; F88-F331 HydrophobicContact CE2-CD1 4.11Å; F88-F331 AromaticContact CE2-CD2 3.54Å; F88-F331 HydrophobicContact CE2-CD2 3.54Å; F88-F331 HydrophobicContact CE2-CE1 4.19Å; F88-F331 AromaticContact CE2-CE2 3.62Å; F88-F331 HydrophobicContact CE2-CE2 3.62Å; F88-F331 AromaticContact CE2-CG 3.79Å; F88-F331 HydrophobicContact CE2-CG 3.79Å; F88-F331 AromaticContact CE2-CZ 3.95Å; F88-F331 HydrophobicContact CE2-CZ 3.95Å; F88-F331 AromaticContact CZ-CD2 3.71Å; F88-F331 HydrophobicContact CZ-CD2 3.71Å; F88-F331 AromaticContact CZ-CE2 3.7Å; F88-F331 HydrophobicContact CZ-CE2 3.7Å; F88-F331 HydrophobicContact CZ-CG 4.4Å; F88-F331 HydrophobicContact CZ-CZ 4.38Å; I250-F331 HydrophobicContact CB-CE2 4.43Å; I250-F331 HydrophobicContact CD1-CD2 4.43Å; I250-F331 HydrophobicContact CD1-CE2 3.91Å; I250-F331 HydrophobicContact CG1-CE2 3.95Å; I250-F331 HydrophobicContact CG2-CE2 3.76Å; I250-F331 HydrophobicContact CG2-CZ 3.88Å; L253-F331 HydrophobicContact CD1-CE2 4.27Å; L253-F331 HydrophobicContact CD1-CZ 3.83Å; F254-F331 HydrophobicContact CE2-CE1 4.46Å; F254-F331 HydrophobicContact CE2-CZ 4.13Å; F254-F331 AromaticContact CZ-CE1 4Å; F254-F331 HydrophobicContact CZ-CE1 4Å; F254-F331 HydrophobicContact CZ-CZ 4.11Å; F331-V333 VanDerWaalsContact C-N 3.32Å; F331-V333 PolarHBondContact O-N 3.02Å; F331-L334 HydrophobicContact CD2-CD2 4.36Å; F331-L334 WeakPolarHBondContact O-CB 3.48Å; F331-L334 PolarHBondContact O-N 2.84Å; F331-L335 HydrophobicContact CD1-CD1 3.95Å; F331-L335 HydrophobicContact CD1-CG 4.24Å; F331-L335 HydrophobicContact CE1-CD1 3.73Å; F331-L335 HydrophobicContact CE1-CD2 4.16Å; F331-L335 HydrophobicContact CE1-CG 4.08Å; F331-L335 HydrophobicContact CZ-CD2 4.31Å; F331-L335 WeakPolarHBondContact O-CG 3.18Å; F331-L335 PolarHBondContact O-N 3.06Å; F331-L335 VanDerWaalsContact O-N 3.11Å
332	P	92.1	Very high	96.4	Very high	48 Å²	48	13.6 Å²	13.6	31%	0.312	8%	0.081	S	C	.	.	H	α-helix	trans	-62.5	-35.9	176.8	-24.3	36.2	0	0	0	113.7	L107 R336	L107-P332 HydrophobicContact CD1-CB 3.81Å; L107-P332 HydrophobicContact CD1-CG 3.61Å; P332-R336 WeakPolarHBondContact O-CG 3.19Å
333	V	96.3	Very high	96.4	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-72.7	-42.7	177.5	-179.4	0	0	0	0	110.5	L329 P330 F331 L335 R336 I337 F384 T385 A387 L390	L329-V333 HydrophobicContact CD1-CG1 4.47Å; L329-V333 HydrophobicContact CD2-CG1 4.25Å; P330-V333 PolarHBondContact O-N 3.31Å; F331-V333 VanDerWaalsContact C-N 3.32Å; F331-V333 PolarHBondContact O-N 3.02Å; V333-L335 VanDerWaalsContact C-N 3.29Å; V333-L335 PolarHBondContact O-N 3.14Å; V333-R336 WeakPolarHBondContact O-CB 3.34Å; V333-R336 PolarHBondContact O-N 2.99Å; V333-R336 VanDerWaalsContact O-N 3.11Å; V333-I337 WeakPolarHBondContact O-CG1 3.12Å; V333-I337 PolarHBondContact O-N 2.69Å; V333-F384 VanDerWaalsContact CG2-O 3.24Å; V333-F384 WeakPolarHBondContact CG2-O 3.49Å; V333-T385 WeakPolarHBondContact CG2-O 3.46Å; V333-A387 HydrophobicContact CB-CB 4.5Å; V333-A387 HydrophobicContact CG1-CB 4.4Å; V333-A387 HydrophobicContact CG2-CB 4.12Å; V333-L390 HydrophobicContact CG1-CD2 3.78Å
334	L	97.6	Very high	96.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-52.2	-47.8	174.9	176.4	68.8	0	0	0	111.8	I250 L324 L329 P330 F331 R336 I337 W338	I250-L334 HydrophobicContact CD1-CD2 3.5Å; I250-L334 VanDerWaalsContact CD1-CD2 3.5Å; L324-L334 WeakPolarHBondContact O-CD1 3.41Å; L329-L334 HydrophobicContact CB-CB 4.14Å; P330-L334 PolarHBondContact O-N 2.82Å; F331-L334 HydrophobicContact CD2-CD2 4.36Å; F331-L334 WeakPolarHBondContact O-CB 3.48Å; F331-L334 PolarHBondContact O-N 2.84Å; L334-R336 VanDerWaalsContact C-N 3.28Å; L334-R336 PolarHBondContact O-N 2.83Å; L334-I337 WeakPolarHBondContact O-CB 3.48Å; L334-I337 PolarHBondContact O-N 2.84Å; L334-I337 VanDerWaalsContact O-N 3.12Å; L334-W338 HydrophobicContact CD1-CG 4.5Å; L334-W338 VanDerWaalsContact CD1-NE1 3.34Å; L334-W338 PolarHBondContact O-N 3.04Å
335	L	96.8	Very high	96.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.9	-36.7	-178.9	-65.5	177.5	0	0	0	112.4	F86 W164 F254 F331 V333 W338 D339	F86-L335 HydrophobicContact CE1-CD1 3.84Å; F86-L335 HydrophobicContact CZ-CD1 3.86Å; W164-L335 HydrophobicContact CH2-CD2 3.81Å; W164-L335 HydrophobicContact CZ2-CD2 4.31Å; F254-L335 HydrophobicContact CE2-CD2 3.64Å; F254-L335 HydrophobicContact CZ-CD1 3.88Å; F254-L335 HydrophobicContact CZ-CD2 3.64Å; F254-L335 HydrophobicContact CZ-CG 4.43Å; F331-L335 HydrophobicContact CD1-CD1 3.95Å; F331-L335 HydrophobicContact CD1-CG 4.24Å; F331-L335 HydrophobicContact CE1-CD1 3.73Å; F331-L335 HydrophobicContact CE1-CD2 4.16Å; F331-L335 HydrophobicContact CE1-CG 4.08Å; F331-L335 HydrophobicContact CZ-CD2 4.31Å; F331-L335 WeakPolarHBondContact O-CG 3.18Å; F331-L335 PolarHBondContact O-N 3.06Å; F331-L335 VanDerWaalsContact O-N 3.11Å; V333-L335 VanDerWaalsContact C-N 3.29Å; V333-L335 PolarHBondContact O-N 3.14Å; L335-W338 PolarHBondContact O-N 3.45Å; L335-D339 PolarHBondContact O-N 2.75Å
336	R	97.3	Very high	96.1	Very high	38 Å²	38	16.6 Å²	16.6	14%	0.143	10%	0.097	C	C	.	.	H	α-helix	trans	-67.7	-38.3	175.1	-64.8	-66.2	-59.2	-75.5	-3.3	111.9	R152 Q153 P332 V333 L334 W338 M340 A387 E388 L391	R152-R336 PolarHBondContact O-NH2 2.95Å; Q153-R336 VanDerWaalsContact O-CZ 3.32Å; Q153-R336 PolarHBondContact O-NH2 3.28Å; P332-R336 WeakPolarHBondContact O-CG 3.19Å; V333-R336 WeakPolarHBondContact O-CB 3.34Å; V333-R336 PolarHBondContact O-N 2.99Å; V333-R336 VanDerWaalsContact O-N 3.11Å; L334-R336 VanDerWaalsContact C-N 3.28Å; L334-R336 PolarHBondContact O-N 2.83Å; R336-W338 VanDerWaalsContact C-N 3.34Å; R336-M340 PolarHBondContact O-N 3.45Å; R336-A387 HydrophobicContact CB-CB 4.04Å; R336-A387 HydrophobicContact CG-CB 3.77Å; R336-E388 IonicContact CZ-OE1 3.64Å; R336-E388 IonicContact NH1-OE1 3.69Å; R336-E388 PolarHBondContact NH1-OE1 3.19Å; R336-E388 IonicContact NH2-OE1 2.63Å; R336-E388 PolarHBondContact NH2-OE1 3.38Å; R336-L391 HydrophobicContact CB-CD1 4.38Å
337	I	98.3	Very high	96.1	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-65.7	-39.3	172.6	-62	-46.1	0	0	0	111	L329 V333 L334 M340 F341 V348 V352 L390 L391	L329-I337 HydrophobicContact CD1-CB 4.4Å; L329-I337 HydrophobicContact CD1-CG1 3.78Å; V333-I337 WeakPolarHBondContact O-CG1 3.12Å; V333-I337 PolarHBondContact O-N 2.69Å; L334-I337 WeakPolarHBondContact O-CB 3.48Å; L334-I337 PolarHBondContact O-N 2.84Å; L334-I337 VanDerWaalsContact O-N 3.12Å; I337-M340 PolarHBondContact O-N 3.02Å; I337-F341 WeakPolarHBondContact O-CB 3.48Å; I337-F341 PolarHBondContact O-N 3.12Å; I337-V348 HydrophobicContact CG2-CG1 3.92Å; I337-V352 HydrophobicContact CD1-CG2 3.66Å; I337-V352 HydrophobicContact CG1-CG2 4.22Å; I337-V352 HydrophobicContact CG2-CG2 3.97Å; I337-L390 HydrophobicContact CD1-CD2 4.19Å; I337-L390 HydrophobicContact CG1-CD2 4.48Å; I337-L391 HydrophobicContact CD1-CD2 3.68Å
338	W	98.5	Very high	96.4	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	7%	0.073	C	C	.	.	H	α-helix	trans	-68	-37.3	177.7	-81.1	21.3	0	0	0	113.2	W164 I247 I250 L251 L324 L334 L335 R336 M340 F341 F342	W164-W338 HydrophobicContact CH2-CB 4.39Å; W164-W338 AromaticContact CH2-CE3 3.71Å; W164-W338 HydrophobicContact CH2-CE3 3.71Å; W164-W338 HydrophobicContact CH2-CZ3 4.45Å; W164-W338 HydrophobicContact CZ2-CB 3.94Å; W164-W338 HydrophobicContact CZ2-CE3 4.39Å; W164-W338 HydrophobicContact CZ3-CE3 4.08Å; I247-W338 HydrophobicContact CB-CH2 4.39Å; I247-W338 HydrophobicContact CG1-CZ2 4.47Å; I247-W338 HydrophobicContact CG2-CH2 3.81Å; I247-W338 HydrophobicContact CG2-CZ2 4.04Å; I250-W338 HydrophobicContact CB-CH2 3.74Å; I250-W338 HydrophobicContact CB-CZ3 3.98Å; I250-W338 HydrophobicContact CD1-CH2 4.33Å; I250-W338 HydrophobicContact CG2-CE3 4.29Å; I250-W338 HydrophobicContact CG2-CH2 3.67Å; I250-W338 HydrophobicContact CG2-CZ3 3.46Å; I250-W338 VanDerWaalsContact CG2-CZ3 3.46Å; L251-W338 HydrophobicContact CD2-CE3 4.36Å; L251-W338 HydrophobicContact CD2-CZ3 3.84Å; L251-W338 HydrophobicContact CG-CH2 4.4Å; L251-W338 HydrophobicContact CG-CZ3 3.9Å; L324-W338 HydrophobicContact CB-CZ2 4.48Å; L324-W338 PolarHBondContact O-NE1 3.09Å; L334-W338 HydrophobicContact CD1-CG 4.5Å; L334-W338 VanDerWaalsContact CD1-NE1 3.34Å; L334-W338 PolarHBondContact O-N 3.04Å; L335-W338 PolarHBondContact O-N 3.45Å; R336-W338 VanDerWaalsContact C-N 3.34Å; W338-M340 PolarHBondContact O-N 3.15Å; W338-F341 PolarHBondContact O-N 3.01Å; W338-F342 HydrophobicContact CB-CD2 4.3Å; W338-F342 HydrophobicContact CB-CE2 4.01Å; W338-F342 HydrophobicContact CD2-CE2 4.27Å; W338-F342 AromaticContact CE3-CE2 3.93Å; W338-F342 HydrophobicContact CE3-CE2 3.93Å; W338-F342 HydrophobicContact CE3-CZ 4.21Å; W338-F342 HydrophobicContact CG-CE2 4.36Å; W338-F342 WeakPolarHBondContact O-CD2 3.49Å; W338-F342 PolarHBondContact O-N 3.3Å
339	D	98.3	Very high	96.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-52.7	-46	171.6	-65.4	-22.9	0	0	0	110.5	V151 V155 R160 W164 L335	V151-D339 HydrophobicContact CG1-CB 4.42Å; V151-D339 VanDerWaalsContact CG1-O 3.27Å; V151-D339 WeakPolarHBondContact CG1-O 3.49Å; V155-D339 WeakPolarHBondContact CB-OD1 3.32Å; V155-D339 HydrophobicContact CG2-CB 3.93Å; V155-D339 PolarHBondContact N-OD2 3.3Å; R160-D339 IonicContact CZ-OD1 2.7Å; R160-D339 IonicContact CZ-OD2 3.88Å; R160-D339 IonicContact NE-OD1 2.78Å; R160-D339 PolarHBondContact NE-OD1 3.31Å; R160-D339 IonicContact NE-OD2 2.76Å; R160-D339 IonicContact NH2-OD1 3.21Å; R160-D339 IonicContact NH2-OD2 3.34Å; R160-D339 PolarHBondContact NH2-OD2 3.23Å; W164-D339 PolarHBondContact NE1-OD1 3.11Å; L335-D339 PolarHBondContact O-N 2.75Å
340	M	98	Very high	96.7	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.02	6%	0.063	C	C	.	.	H	α-helix	trans	-71.8	-42.2	175.3	-65.9	-178.8	69	0	0	112.8	V151 R336 I337 W338 F342 Y343 E344 V348 L391 V394	V151-M340 HydrophobicContact CG1-CG 4.24Å; R336-M340 PolarHBondContact O-N 3.45Å; I337-M340 PolarHBondContact O-N 3.02Å; W338-M340 PolarHBondContact O-N 3.15Å; M340-F342 PolarHBondContact O-N 3.19Å; M340-Y343 PolarHBondContact O-N 3.47Å; M340-E344 WeakPolarHBondContact CE-OE1 3.35Å; M340-E344 PolarHBondContact O-N 3.36Å; M340-V348 HydrophobicContact CB-CG1 4.15Å; M340-V348 HydrophobicContact CB-CG2 3.99Å; M340-L391 HydrophobicContact SD-CD2 3.41Å; M340-L391 WeakPolarHBondContact SD-CD2 3.43Å; M340-V394 HydrophobicContact CE-CG1 4.36Å
341	F	98.4	Very high	96.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.4	-42.5	-178.9	170.7	-99	0	0	0	112.1	V267 L271 L272 L324 I337 W338 Y343 G345 V348 L349	V267-F341 HydrophobicContact CG1-CZ 4.42Å; V267-F341 HydrophobicContact CG2-CE1 4.14Å; L271-F341 HydrophobicContact CB-CE1 4.41Å; L271-F341 HydrophobicContact CB-CE2 4.46Å; L271-F341 HydrophobicContact CB-CZ 3.87Å; L271-F341 HydrophobicContact CD1-CD1 4.27Å; L271-F341 HydrophobicContact CD1-CE1 3.6Å; L271-F341 HydrophobicContact CD1-CZ 3.94Å; L272-F341 HydrophobicContact CD2-CE2 4.2Å; L272-F341 HydrophobicContact CD2-CZ 4.27Å; L272-F341 HydrophobicContact CG-CZ 4.49Å; L324-F341 HydrophobicContact CD1-CD1 4.21Å; L324-F341 HydrophobicContact CD1-CE1 3.56Å; L324-F341 HydrophobicContact CD1-CZ 3.8Å; L324-F341 HydrophobicContact CD2-CE1 4.26Å; L324-F341 HydrophobicContact CD2-CE2 3.83Å; L324-F341 HydrophobicContact CD2-CZ 3.69Å; L324-F341 HydrophobicContact CG-CZ 4.41Å; I337-F341 WeakPolarHBondContact O-CB 3.48Å; I337-F341 PolarHBondContact O-N 3.12Å; W338-F341 PolarHBondContact O-N 3.01Å; F341-Y343 PolarHBondContact O-N 3.21Å; F341-G345 WeakPolarHBondContact CD2-O 3.2Å; F341-G345 WeakPolarHBondContact O-CA 3.46Å; F341-G345 PolarHBondContact O-N 3.45Å; F341-V348 HydrophobicContact CB-CB 4.45Å; F341-L349 HydrophobicContact CD2-CD2 4.22Å; F341-L349 HydrophobicContact CD2-CG 4.34Å; F341-L349 HydrophobicContact CE2-CD1 4.37Å; F341-L349 HydrophobicContact CE2-CD2 4.49Å; F341-L349 HydrophobicContact CE2-CG 4.39Å
342	F	97.8	Very high	97.2	Very high	1 Å²	1	9.4 Å²	9.4	0%	0.004	5%	0.049	C	C	.	.	H	α-helix	trans	-69.2	-15	176.4	-67.2	-52	0	0	0	113.4	W164 L167 C168 L251 M263 V267 L271 W338 M340	W164-F342 HydrophobicContact CB-CD2 4.02Å; W164-F342 HydrophobicContact CB-CG 4.43Å; W164-F342 AromaticContact CD1-CD2 3.76Å; W164-F342 AromaticContact CD2-CD2 3.62Å; W164-F342 HydrophobicContact CD2-CD2 3.62Å; W164-F342 AromaticContact CD2-CE2 3.66Å; W164-F342 HydrophobicContact CD2-CE2 3.66Å; W164-F342 AromaticContact CE2-CD2 3.78Å; W164-F342 AromaticContact CE2-CE2 3.92Å; W164-F342 HydrophobicContact CE3-CD2 4.21Å; W164-F342 AromaticContact CE3-CE2 3.77Å; W164-F342 HydrophobicContact CE3-CE2 3.77Å; W164-F342 AromaticContact CG-CD2 3.56Å; W164-F342 HydrophobicContact CG-CD2 3.56Å; W164-F342 HydrophobicContact CG-CE2 4.06Å; W164-F342 HydrophobicContact CG-CG 4.36Å; W164-F342 HydrophobicContact CH2-CE2 4.34Å; W164-F342 HydrophobicContact CZ2-CD2 4.42Å; W164-F342 HydrophobicContact CZ2-CE2 4.23Å; W164-F342 HydrophobicContact CZ3-CE2 4.15Å; W164-F342 AromaticContact NE1-CD2 3.9Å; L167-F342 CarbonylContact C-O 3.54Å; L167-F342 HydrophobicContact CB-CB 4.42Å; C168-F342 VanDerWaalsContact CA-O 3.25Å; C168-F342 WeakPolarHBondContact CA-O 3.46Å; C168-F342 HydrophobicContact CB-CB 4.16Å; C168-F342 HydrophobicContact CB-CD1 4.09Å; C168-F342 WeakPolarHBondContact CB-O 3.45Å; C168-F342 PolarHBondContact N-O 3.39Å; C168-F342 VanDerWaalsContact N-O 3.1Å; L251-F342 HydrophobicContact CD2-CE2 4.33Å; L251-F342 HydrophobicContact CD2-CZ 4.03Å; M263-F342 HydrophobicContact CE-CD1 3.5Å; M263-F342 HydrophobicContact CE-CD2 4.02Å; M263-F342 HydrophobicContact CE-CE1 3.25Å; M263-F342 HydrophobicContact CE-CE2 3.78Å; M263-F342 HydrophobicContact CE-CG 3.9Å; M263-F342 HydrophobicContact CE-CZ 3.41Å; M263-F342 VanDerWaalsContact CE-CZ 3.41Å; V267-F342 HydrophobicContact CG2-CE1 3.95Å; L271-F342 HydrophobicContact CD1-CD1 3.85Å; L271-F342 HydrophobicContact CD1-CE1 4.33Å; W338-F342 HydrophobicContact CB-CD2 4.3Å; W338-F342 HydrophobicContact CB-CE2 4.01Å; W338-F342 HydrophobicContact CD2-CE2 4.27Å; W338-F342 AromaticContact CE3-CE2 3.93Å; W338-F342 HydrophobicContact CE3-CE2 3.93Å; W338-F342 HydrophobicContact CE3-CZ 4.21Å; W338-F342 HydrophobicContact CG-CE2 4.36Å; W338-F342 WeakPolarHBondContact O-CD2 3.49Å; W338-F342 PolarHBondContact O-N 3.3Å; M340-F342 PolarHBondContact O-N 3.19Å
343	Y	96.6	Very high	97.5	Very high	20 Å²	20	7.1 Å²	7.1	8%	0.078	3%	0.034	C	C	.	.	H	α-helix	trans	-98.4	-47.7	177.5	178.4	-115.2	0	0	0	113.7	K143 S144 L147 S148 V151 L167 M340 F341	K143-Y343 HydrophobicContact CB-CE2 4.36Å; K143-Y343 WeakPolarHBondContact CE-O 3.35Å; K143-Y343 HydrophobicContact CG-CE2 3.85Å; K143-Y343 PolarHBondContact NZ-O 3.26Å; S144-Y343 PolarHBondContact O-OH 2.69Å; L147-Y343 HydrophobicContact CD2-CD2 4.42Å; L147-Y343 HydrophobicContact CD2-CE2 3.82Å; L147-Y343 HydrophobicContact CG-CE2 3.96Å; S148-Y343 WeakPolarHBondContact CB-OH 2.8Å; V151-Y343 HydrophobicContact CB-CD1 4.31Å; V151-Y343 HydrophobicContact CB-CG 4.42Å; V151-Y343 HydrophobicContact CG1-CD1 4.13Å; V151-Y343 HydrophobicContact CG1-CG 4.17Å; V151-Y343 HydrophobicContact CG2-CD1 4.4Å; V151-Y343 HydrophobicContact CG2-CD2 4.32Å; V151-Y343 HydrophobicContact CG2-CG 4.07Å; L167-Y343 HydrophobicContact CD2-CD2 3.9Å; M340-Y343 PolarHBondContact O-N 3.47Å; F341-Y343 PolarHBondContact O-N 3.21Å
344	E	93.8	Very high	97.6	Very high	47 Å²	47	7 Å²	7	22%	0.22	3%	0.034	C	C	.	.	H	α-helix	trans	-94	-26.2	-175.9	-73	-176.5	-137.1	0	0	113.2	M340 I347 V348 K351	M340-E344 WeakPolarHBondContact CE-OE1 3.35Å; M340-E344 PolarHBondContact O-N 3.36Å; E344-I347 HydrophobicContact CB-CG2 3.82Å; E344-V348 HydrophobicContact CB-CG2 3.66Å; E344-V348 HydrophobicContact CG-CG2 4.47Å; E344-K351 IonicContact OE2-NZ 2.76Å; E344-K351 PolarHBondContact OE2-NZ 3.12Å
345	G	95.1	Very high	97.6	Very high	8 Å²	8	7 Å²	7	8%	0.082	3%	0.034	C	C	.	.			trans	88.6	-160.2	-175.8	0	0	0	0	0	113.9	F341 I347 V348	F341-G345 WeakPolarHBondContact CD2-O 3.2Å; F341-G345 WeakPolarHBondContact O-CA 3.46Å; F341-G345 PolarHBondContact O-N 3.45Å; G345-I347 PolarHBondContact O-N 3.15Å; G345-V348 PolarHBondContact O-N 2.82Å
346	S	96.3	Very high	97.7	Very high	7 Å²	7	7 Å²	7	5%	0.049	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.7	-173.3	55.7	0	0	0	0	115.8	L271 V348 L349 R410	L271-S346 VanDerWaalsContact O-CB 3.24Å; L271-S346 WeakPolarHBondContact O-CB 3.47Å; L271-S346 PolarHBondContact O-N 2.78Å; L271-S346 PolarHBondContact O-OG 3.06Å; S346-V348 PolarHBondContact O-N 3Å; S346-V348 VanDerWaalsContact O-N 3.15Å; S346-L349 WeakPolarHBondContact O-CB 3.45Å; S346-L349 PolarHBondContact O-N 3.32Å; S346-R410 PolarHBondContact OG-NH2 3.48Å
347	I	97.2	Very high	97.7	Very high	10 Å²	10	5.5 Å²	5.5	5%	0.051	3%	0.028	C	C	.	.	H	α-helix	trans	-54.4	-32.7	174.7	-169.9	170.3	0	0	0	113.2	E344 G345 L349 F350 K351 V401 L406	E344-I347 HydrophobicContact CB-CG2 3.82Å; G345-I347 PolarHBondContact O-N 3.15Å; I347-L349 PolarHBondContact O-N 2.96Å; I347-F350 PolarHBondContact O-N 2.91Å; I347-K351 PolarHBondContact O-N 2.94Å; I347-V401 HydrophobicContact CD1-CG1 4.46Å; I347-V401 WeakPolarHBondContact CD1-O 3.29Å; I347-V401 HydrophobicContact CG1-CG1 4.02Å; I347-L406 HydrophobicContact CB-CD1 3.85Å; I347-L406 HydrophobicContact CD1-CD1 4.36Å; I347-L406 HydrophobicContact CG1-CD1 3.66Å
348	V	98.3	Very high	97.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60.1	-36.1	178.9	177.8	0	0	0	0	110.9	I337 M340 F341 E344 G345 S346 F350 K351 V352	I337-V348 HydrophobicContact CG2-CG1 3.92Å; M340-V348 HydrophobicContact CB-CG1 4.15Å; M340-V348 HydrophobicContact CB-CG2 3.99Å; F341-V348 HydrophobicContact CB-CB 4.45Å; E344-V348 HydrophobicContact CB-CG2 3.66Å; E344-V348 HydrophobicContact CG-CG2 4.47Å; G345-V348 PolarHBondContact O-N 2.82Å; S346-V348 PolarHBondContact O-N 3Å; S346-V348 VanDerWaalsContact O-N 3.15Å; V348-F350 VanDerWaalsContact C-N 3.34Å; V348-F350 PolarHBondContact O-N 3.12Å; V348-K351 PolarHBondContact O-N 3.02Å; V348-V352 HydrophobicContact CG1-CG2 4.04Å; V348-V352 WeakPolarHBondContact O-CB 3.41Å; V348-V352 VanDerWaalsContact O-CG2 3.27Å; V348-V352 WeakPolarHBondContact O-CG2 3.42Å; V348-V352 PolarHBondContact O-N 2.96Å
349	L	98.5	Very high	97.6	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-61.5	-43.9	-179.6	-53.6	178.9	0	0	0	111.5	L272 F321 L324 Y325 F341 S346 I347 A353	L272-L349 HydrophobicContact CD2-CD1 4.01Å; F321-L349 HydrophobicContact CD1-CB 4.12Å; F321-L349 HydrophobicContact CE1-CB 3.92Å; F321-L349 HydrophobicContact CZ-CB 4.15Å; L324-L349 HydrophobicContact CD2-CD1 3.87Å; L324-L349 HydrophobicContact CD2-CD2 3.98Å; Y325-L349 HydrophobicContact CD2-CD2 3.95Å; Y325-L349 HydrophobicContact CE2-CB 4.33Å; Y325-L349 HydrophobicContact CE2-CD2 3.68Å; Y325-L349 PolarHBondContact OH-O 3.12Å; F341-L349 HydrophobicContact CD2-CD2 4.22Å; F341-L349 HydrophobicContact CD2-CG 4.34Å; F341-L349 HydrophobicContact CE2-CD1 4.37Å; F341-L349 HydrophobicContact CE2-CD2 4.49Å; F341-L349 HydrophobicContact CE2-CG 4.39Å; S346-L349 WeakPolarHBondContact O-CB 3.45Å; S346-L349 PolarHBondContact O-N 3.32Å; I347-L349 PolarHBondContact O-N 2.96Å; L349-A353 WeakPolarHBondContact O-CB 3.28Å; L349-A353 PolarHBondContact O-N 3.37Å
350	F	98.6	Very high	97.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65	-45.9	176.8	-69.5	-88.1	0	0	0	112.3	D287 V290 F291 L294 F321 I347 V348 V352 A353 L354 V401 L406	D287-F350 HydrophobicContact CB-CE1 4.48Å; D287-F350 HydrophobicContact CB-CE2 4.39Å; D287-F350 HydrophobicContact CB-CZ 3.66Å; D287-F350 VanDerWaalsContact CG-CZ 3.44Å; D287-F350 WeakPolarHBondContact O-CE1 3.33Å; V290-F350 HydrophobicContact CB-CE1 4.02Å; V290-F350 HydrophobicContact CB-CZ 4.29Å; V290-F350 HydrophobicContact CG1-CD1 4.5Å; V290-F350 HydrophobicContact CG1-CE1 3.71Å; V290-F350 HydrophobicContact CG1-CZ 4.05Å; F291-F350 HydrophobicContact CB-CD1 4.07Å; F291-F350 HydrophobicContact CB-CE1 3.87Å; F291-F350 HydrophobicContact CD2-CD1 4.2Å; L294-F350 HydrophobicContact CD1-CB 4.35Å; L294-F350 HydrophobicContact CD1-CD1 3.64Å; L294-F350 HydrophobicContact CD1-CE1 4.27Å; L294-F350 HydrophobicContact CD1-CG 4.27Å; F321-F350 HydrophobicContact CE2-CD1 4.22Å; F321-F350 HydrophobicContact CE2-CD2 4.5Å; F321-F350 AromaticContact CE2-CE1 3.94Å; F321-F350 HydrophobicContact CE2-CE1 3.94Å; F321-F350 HydrophobicContact CE2-CE2 4.21Å; F321-F350 AromaticContact CE2-CZ 3.96Å; F321-F350 HydrophobicContact CE2-CZ 3.96Å; F321-F350 HydrophobicContact CZ-CD1 4.1Å; F321-F350 HydrophobicContact CZ-CE1 4.28Å; F321-F350 HydrophobicContact CZ-CG 4.28Å; I347-F350 PolarHBondContact O-N 2.91Å; V348-F350 VanDerWaalsContact C-N 3.34Å; V348-F350 PolarHBondContact O-N 3.12Å; F350-V352 VanDerWaalsContact C-N 3.34Å; F350-V352 PolarHBondContact O-N 3.4Å; F350-A353 PolarHBondContact O-N 3.08Å; F350-L354 WeakPolarHBondContact O-CB 3.4Å; F350-L354 VanDerWaalsContact O-CG 3.3Å; F350-L354 WeakPolarHBondContact O-CG 3.48Å; F350-L354 PolarHBondContact O-N 3.3Å; F350-V401 HydrophobicContact CB-CG1 4.2Å; F350-L406 HydrophobicContact CD1-CD2 4.3Å; F350-L406 HydrophobicContact CD2-CD1 3.68Å; F350-L406 HydrophobicContact CD2-CD2 4.17Å; F350-L406 HydrophobicContact CE1-CD2 4.44Å; F350-L406 HydrophobicContact CE2-CD1 4.03Å; F350-L406 HydrophobicContact CE2-CD2 4.34Å; F350-L406 HydrophobicContact CG-CD1 4.28Å; F350-L406 HydrophobicContact CG-CD2 4.13Å; F350-L406 HydrophobicContact CZ-CD2 4.44Å
351	K	98.5	Very high	97.4	Very high	10 Å²	10	14.8 Å²	14.8	4%	0.043	7%	0.074	C	C	.	.	H	α-helix	trans	-62.8	-42.4	-179.5	-62.8	175.5	178.9	175.5	0	111.2	E344 I347 V348 A355 V394 F397 V401	E344-K351 IonicContact OE2-NZ 2.76Å; E344-K351 PolarHBondContact OE2-NZ 3.12Å; I347-K351 PolarHBondContact O-N 2.94Å; V348-K351 PolarHBondContact O-N 3.02Å; K351-A355 VanDerWaalsContact O-CB 3.31Å; K351-A355 WeakPolarHBondContact O-CB 3.36Å; K351-A355 PolarHBondContact O-N 3.15Å; K351-V394 HydrophobicContact CB-CG1 3.87Å; K351-V394 HydrophobicContact CD-CG1 4.22Å; K351-F397 HydrophobicContact CG-CB 4.47Å; K351-V401 HydrophobicContact CG-CB 4.18Å; K351-V401 HydrophobicContact CG-CG1 4.21Å
352	V	98.5	Very high	97.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.8	-48.4	176.5	173.2	0	0	0	0	110.8	Y325 I337 V348 F350 L354 A355 L356 L390 V394	Y325-V352 HydrophobicContact CD1-CG1 4.44Å; Y325-V352 HydrophobicContact CD2-CG1 4.43Å; Y325-V352 HydrophobicContact CE1-CG1 3.89Å; Y325-V352 HydrophobicContact CE2-CB 4.08Å; Y325-V352 HydrophobicContact CE2-CG1 3.9Å; I337-V352 HydrophobicContact CD1-CG2 3.66Å; I337-V352 HydrophobicContact CG1-CG2 4.22Å; I337-V352 HydrophobicContact CG2-CG2 3.97Å; V348-V352 HydrophobicContact CG1-CG2 4.04Å; V348-V352 WeakPolarHBondContact O-CB 3.41Å; V348-V352 VanDerWaalsContact O-CG2 3.27Å; V348-V352 WeakPolarHBondContact O-CG2 3.42Å; V348-V352 PolarHBondContact O-N 2.96Å; F350-V352 VanDerWaalsContact C-N 3.34Å; F350-V352 PolarHBondContact O-N 3.4Å; V352-L354 VanDerWaalsContact C-N 3.34Å; V352-L354 PolarHBondContact O-N 3.47Å; V352-A355 WeakPolarHBondContact O-CB 3.28Å; V352-A355 PolarHBondContact O-N 3.01Å; V352-A355 VanDerWaalsContact O-N 3.11Å; V352-L356 HydrophobicContact CG1-CD1 4.2Å; V352-L356 HydrophobicContact CG1-CG 4.32Å; V352-L356 WeakPolarHBondContact O-CG 3.19Å; V352-L356 PolarHBondContact O-N 3.41Å; V352-L390 HydrophobicContact CG1-CD2 4.36Å; V352-V394 HydrophobicContact CG2-CG2 3.96Å
353	A	98.3	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.8	-42.6	178.5	0	0	0	0	0	112.9	F291 W320 F321 Y325 L349 F350 A355 L356 L357	F291-A353 HydrophobicContact CD2-CB 4.25Å; F291-A353 HydrophobicContact CE1-CB 4.12Å; F291-A353 HydrophobicContact CE2-CB 3.42Å; F291-A353 VanDerWaalsContact CE2-CB 3.42Å; F291-A353 HydrophobicContact CZ-CB 3.34Å; W320-A353 HydrophobicContact CE3-CB 4.25Å; W320-A353 HydrophobicContact CZ3-CB 4.31Å; F321-A353 HydrophobicContact CE1-CB 3.94Å; F321-A353 HydrophobicContact CZ-CB 4.39Å; Y325-A353 WeakPolarHBondContact OH-CB 3.33Å; Y325-A353 PolarHBondContact OH-N 2.98Å; Y325-A353 VanDerWaalsContact OH-N 3.16Å; L349-A353 WeakPolarHBondContact O-CB 3.28Å; L349-A353 PolarHBondContact O-N 3.37Å; F350-A353 PolarHBondContact O-N 3.08Å; A353-A355 VanDerWaalsContact C-N 3.35Å; A353-L356 PolarHBondContact O-N 2.92Å; A353-L357 WeakPolarHBondContact O-CG 3.35Å; A353-L357 PolarHBondContact O-N 3.44Å; A353-L357 VanDerWaalsContact O-N 3.16Å
354	L	98.7	Very high	97.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.4	-40.6	174.5	-70.4	168.2	0	0	0	111.7	F291 L294 I295 L298 L299 F350 V352 L357 K358 F397 V401	F291-L354 HydrophobicContact CE2-CD2 3.93Å; F291-L354 HydrophobicContact CE2-CG 3.98Å; L294-L354 HydrophobicContact CB-CD1 4.36Å; L294-L354 HydrophobicContact CB-CD2 4.29Å; I295-L354 HydrophobicContact CG1-CD2 4.28Å; L298-L354 HydrophobicContact CD1-CD1 3.84Å; L299-L354 HydrophobicContact CD1-CB 4.48Å; L299-L354 HydrophobicContact CD1-CD2 3.8Å; L299-L354 HydrophobicContact CG-CD2 4.26Å; F350-L354 WeakPolarHBondContact O-CB 3.4Å; F350-L354 VanDerWaalsContact O-CG 3.3Å; F350-L354 WeakPolarHBondContact O-CG 3.48Å; F350-L354 PolarHBondContact O-N 3.3Å; V352-L354 VanDerWaalsContact C-N 3.34Å; V352-L354 PolarHBondContact O-N 3.47Å; L354-L357 PolarHBondContact O-N 3.27Å; L354-K358 VanDerWaalsContact O-CB 3.27Å; L354-K358 WeakPolarHBondContact O-CB 3.35Å; L354-K358 PolarHBondContact O-N 3.24Å; L354-F397 HydrophobicContact CB-CD1 4.32Å; L354-F397 HydrophobicContact CB-CD2 4.05Å; L354-F397 HydrophobicContact CB-CE1 4.13Å; L354-F397 HydrophobicContact CB-CE2 3.85Å; L354-F397 HydrophobicContact CB-CG 4.29Å; L354-F397 HydrophobicContact CB-CZ 3.89Å; L354-F397 HydrophobicContact CD1-CD1 4.16Å; L354-F397 HydrophobicContact CD1-CE1 4.47Å; L354-F397 HydrophobicContact CD1-CG 4.42Å; L354-V401 HydrophobicContact CD1-CG2 3.63Å
355	A	98.3	Very high	97.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64	-42.9	177.6	0	0	0	0	0	112.8	K351 V352 A353 L357 K358 S359 L390 I393 V394 F397	K351-A355 VanDerWaalsContact O-CB 3.31Å; K351-A355 WeakPolarHBondContact O-CB 3.36Å; K351-A355 PolarHBondContact O-N 3.15Å; V352-A355 WeakPolarHBondContact O-CB 3.28Å; V352-A355 PolarHBondContact O-N 3.01Å; V352-A355 VanDerWaalsContact O-N 3.11Å; A353-A355 VanDerWaalsContact C-N 3.35Å; A355-L357 PolarHBondContact O-N 3.45Å; A355-K358 PolarHBondContact O-N 3.47Å; A355-S359 WeakPolarHBondContact O-CB 3.39Å; A355-S359 PolarHBondContact O-N 3.03Å; A355-L390 HydrophobicContact CB-CD1 3.89Å; A355-I393 HydrophobicContact CB-CB 3.91Å; A355-I393 HydrophobicContact CB-CG2 3.59Å; A355-V394 HydrophobicContact CB-CG2 3.67Å; A355-F397 HydrophobicContact CB-CE2 4.34Å
356	L	98.1	Very high	97.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.8	-51.5	174.5	-68.3	174.8	0	0	0	110.4	W320 Y325 V352 A353 S359 L380 P381 F384 L390	W320-L356 HydrophobicContact CE3-CD1 4.43Å; W320-L356 HydrophobicContact CH2-CD1 4.39Å; W320-L356 HydrophobicContact CZ3-CD1 4.25Å; Y325-L356 HydrophobicContact CE1-CD1 3.87Å; V352-L356 HydrophobicContact CG1-CD1 4.2Å; V352-L356 HydrophobicContact CG1-CG 4.32Å; V352-L356 WeakPolarHBondContact O-CG 3.19Å; V352-L356 PolarHBondContact O-N 3.41Å; A353-L356 PolarHBondContact O-N 2.92Å; L356-S359 PolarHBondContact O-N 2.98Å; L356-S359 PolarHBondContact O-OG 3.44Å; L356-L380 HydrophobicContact CB-CB 4.5Å; L356-L380 HydrophobicContact CB-CD1 4.45Å; L356-P381 HydrophobicContact CD1-CB 4.31Å; L356-P381 HydrophobicContact CD1-CG 3.98Å; L356-F384 HydrophobicContact CD2-CD2 3.38Å; L356-F384 HydrophobicContact CD2-CE2 3.26Å; L356-F384 HydrophobicContact CD2-CG 4.2Å; L356-F384 HydrophobicContact CD2-CZ 3.98Å; L356-F384 HydrophobicContact CG-CE2 4.5Å; L356-L390 HydrophobicContact CD2-CD1 3.97Å; L356-L390 HydrophobicContact CG-CD1 4.42Å
357	L	98	Very high	97.2	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-45	178.1	-68.1	178.1	0	0	0	112.6	F291 I295 L299 V302 A353 L354 A355 S359 K360 E361 L377 L380	F291-L357 HydrophobicContact CE1-CD1 4.37Å; F291-L357 HydrophobicContact CE2-CD1 4.44Å; F291-L357 HydrophobicContact CZ-CD1 3.65Å; I295-L357 HydrophobicContact CD1-CD1 3.68Å; I295-L357 HydrophobicContact CG1-CD1 3.74Å; L299-L357 HydrophobicContact CD1-CB 3.68Å; L299-L357 HydrophobicContact CD1-CD1 4.29Å; V302-L357 HydrophobicContact CG1-CB 4.38Å; V302-L357 HydrophobicContact CG1-CD1 4.38Å; V302-L357 HydrophobicContact CG1-CD2 4.29Å; A353-L357 WeakPolarHBondContact O-CG 3.35Å; A353-L357 PolarHBondContact O-N 3.44Å; A353-L357 VanDerWaalsContact O-N 3.16Å; L354-L357 PolarHBondContact O-N 3.27Å; A355-L357 PolarHBondContact O-N 3.45Å; L357-S359 VanDerWaalsContact C-N 3.27Å; L357-S359 PolarHBondContact O-N 3.32Å; L357-K360 PolarHBondContact O-N 2.87Å; L357-E361 PolarHBondContact O-N 3.06Å; L357-E361 VanDerWaalsContact O-N 3.16Å; L357-L377 HydrophobicContact CD2-CD2 3.4Å; L357-L380 HydrophobicContact CD2-CD1 3.88Å
358	K	97.5	Very high	96.9	Very high	85 Å²	85	39.6 Å²	39.6	37%	0.37	20%	0.2	S	C	.	.	H	α-helix	trans	-59.7	-39.5	-178.8	-178	66.8	-165.6	173.4	0	112	L299 L354 A355 K360 E361 I393 F397	L299-K358 HydrophobicContact CD2-CB 3.95Å; L299-K358 HydrophobicContact CD2-CD 3.39Å; L299-K358 HydrophobicContact CD2-CG 4.22Å; L354-K358 VanDerWaalsContact O-CB 3.27Å; L354-K358 WeakPolarHBondContact O-CB 3.35Å; L354-K358 PolarHBondContact O-N 3.24Å; A355-K358 PolarHBondContact O-N 3.47Å; K358-K360 VanDerWaalsContact C-N 3.27Å; K358-K360 PolarHBondContact O-N 3.12Å; K358-E361 IonicContact NZ-OE1 3.15Å; K358-E361 IonicContact NZ-OE2 2.86Å; K358-E361 PolarHBondContact NZ-OE2 3.47Å; K358-E361 WeakPolarHBondContact O-CB 3.39Å; K358-E361 PolarHBondContact O-N 3.05Å; K358-I393 HydrophobicContact CB-CG2 4.2Å; K358-I393 HydrophobicContact CG-CG2 4.26Å; K358-F397 HydrophobicContact CB-CE2 4.23Å; K358-F397 HydrophobicContact CB-CZ 4.01Å; K358-F397 HydrophobicContact CG-CZ 4.24Å
359	S	96.4	Very high	96.6	Very high	40 Å²	40	42.5 Å²	42.5	28%	0.28	22%	0.215	S	C	.	.	H	α-helix	trans	-62.4	-31.9	-176.1	76.3	0	0	0	0	114	A355 L356 L357 F384	A355-S359 WeakPolarHBondContact O-CB 3.39Å; A355-S359 PolarHBondContact O-N 3.03Å; L356-S359 PolarHBondContact O-N 2.98Å; L356-S359 PolarHBondContact O-OG 3.44Å; L357-S359 VanDerWaalsContact C-N 3.27Å; L357-S359 PolarHBondContact O-N 3.32Å; S359-F384 WeakPolarHBondContact OG-CZ 3.5Å
360	K	95	Very high	96.4	Very high	63 Å²	63	44.9 Å²	44.9	27%	0.274	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	17.1	-178.6	-62.3	-55.5	-177.1	177.6	0	112.6	L357 K358 N362 N363 L364 L380	L357-K360 PolarHBondContact O-N 2.87Å; K358-K360 VanDerWaalsContact C-N 3.27Å; K358-K360 PolarHBondContact O-N 3.12Å; K360-N362 PolarHBondContact O-N 2.92Å; K360-N363 HydrophobicContact CB-CB 4.34Å; K360-N363 WeakPolarHBondContact O-CB 3.21Å; K360-N363 PolarHBondContact O-N 3Å; K360-L364 WeakPolarHBondContact O-CG 3.26Å; K360-L364 PolarHBondContact O-N 2.81Å; K360-L380 HydrophobicContact CB-CD2 3.66Å; K360-L380 HydrophobicContact CG-CD2 3.31Å
361	E	96.7	Very high	96.2	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.056	26%	0.255	C	S	.	.	H	α-helix	trans	-50.4	-44.1	178.2	177.4	-174.2	119.3	0	0	111.9	K301 V302 L357 K358 R365	K301-E361 HydrophobicContact CB-CG 4.12Å; K301-E361 HydrophobicContact CD-CG 4.5Å; K301-E361 WeakPolarHBondContact CD-OE1 3.47Å; K301-E361 IonicContact NZ-OE1 3.48Å; K301-E361 PolarHBondContact NZ-OE1 3.3Å; V302-E361 HydrophobicContact CG2-CB 3.95Å; V302-E361 HydrophobicContact CG2-CG 3.8Å; L357-E361 PolarHBondContact O-N 3.06Å; L357-E361 VanDerWaalsContact O-N 3.16Å; K358-E361 IonicContact NZ-OE1 3.15Å; K358-E361 IonicContact NZ-OE2 2.86Å; K358-E361 PolarHBondContact NZ-OE2 3.47Å; K358-E361 WeakPolarHBondContact O-CB 3.39Å; K358-E361 PolarHBondContact O-N 3.05Å; E361-R365 VanDerWaalsContact O-CG 3.27Å; E361-R365 WeakPolarHBondContact O-CG 3.41Å; E361-R365 PolarHBondContact O-N 2.94Å
362	N	96.8	Very high	96.1	Very high	100 Å²	100	51.2 Å²	51.2	54%	0.535	27%	0.272	S	S	.	.	H	α-helix	trans	-69	-39.2	179.8	-69.3	-32.8	0	0	0	112.5	K360 R365 I366	K360-N362 PolarHBondContact O-N 2.92Å; N362-R365 PolarHBondContact O-N 3.49Å; N362-I366 WeakPolarHBondContact O-CD1 3.41Å; N362-I366 WeakPolarHBondContact O-CG1 3.31Å; N362-I366 PolarHBondContact O-N 2.96Å
363	N	95.9	Very high	95.9	Very high	81 Å²	81	51.2 Å²	51.2	43%	0.433	27%	0.272	S	S	.	.	H	α-helix	trans	-63.5	-48.3	176.5	-65.5	58.2	0	0	0	110.3	K360 R365 I366 L367 L376	K360-N363 HydrophobicContact CB-CB 4.34Å; K360-N363 WeakPolarHBondContact O-CB 3.21Å; K360-N363 PolarHBondContact O-N 3Å; N363-R365 PolarHBondContact O-N 3.41Å; N363-I366 PolarHBondContact O-N 3.38Å; N363-L367 WeakPolarHBondContact O-CG 3.12Å; N363-L367 PolarHBondContact O-N 2.91Å; N363-L376 HydrophobicContact CB-CD2 3.84Å
364	L	95.7	Very high	95.7	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-55.9	-34.3	178.5	-71.1	167.7	0	0	0	112.5	V302 V305 K360 V373 L376 L377	V302-L364 HydrophobicContact CG1-CD1 4.17Å; V305-L364 HydrophobicContact CG1-CB 4.34Å; V305-L364 WeakPolarHBondContact CG1-O 3.47Å; K360-L364 WeakPolarHBondContact O-CG 3.26Å; K360-L364 PolarHBondContact O-N 2.81Å; L364-V373 HydrophobicContact CD2-CG1 3.92Å; L364-L376 HydrophobicContact CD2-CD2 3.79Å; L364-L376 HydrophobicContact CD2-CG 4.23Å; L364-L376 HydrophobicContact CG-CD2 4.05Å; L364-L377 HydrophobicContact CD1-CD2 4.06Å; L364-L377 HydrophobicContact CD2-CD2 3.85Å; L364-L377 HydrophobicContact CD2-CG 3.95Å
365	R	95.5	Very high	95.6	Very high	137 Å²	137	58.9 Å²	58.9	52%	0.517	31%	0.309	S	S	.	.	H	α-helix	trans	-73.8	-22.5	179	-72.2	171.5	68.9	-152	-3.5	114.8	V305 E361 N362 N363	V305-R365 HydrophobicContact CG2-CB 4.41Å; V305-R365 HydrophobicContact CG2-CG 3.81Å; E361-R365 VanDerWaalsContact O-CG 3.27Å; E361-R365 WeakPolarHBondContact O-CG 3.41Å; E361-R365 PolarHBondContact O-N 2.94Å; N362-R365 PolarHBondContact O-N 3.49Å; N363-R365 PolarHBondContact O-N 3.41Å
366	I	95.6	Very high	95.4	Very high	134 Å²	134	60.2 Å²	60.2	69%	0.687	32%	0.316	S	S	*	.	H	α-helix	trans	-87.8	-26.9	-177.4	-64.5	163.7	0	0	0	110.5	N362 N363	N362-I366 WeakPolarHBondContact O-CD1 3.41Å; N362-I366 WeakPolarHBondContact O-CG1 3.31Å; N362-I366 PolarHBondContact O-N 2.96Å; N363-I366 PolarHBondContact O-N 3.38Å
367	L	94.6	Very high	95.3	Very high	42 Å²	42	60.5 Å²	60.5	22%	0.22	32%	0.318	C	S	.	.			trans	-65.9	139.1	177.9	-60.4	178	0	0	0	110.8	N363 E372 V373 L376	N363-L367 WeakPolarHBondContact O-CG 3.12Å; N363-L367 PolarHBondContact O-N 2.91Å; L367-E372 HydrophobicContact CB-CB 4.43Å; L367-E372 HydrophobicContact CD1-CB 4.17Å; L367-E372 HydrophobicContact CD2-CB 4.11Å; L367-E372 WeakPolarHBondContact CD2-OE2 3.38Å; L367-E372 HydrophobicContact CG-CB 4.45Å; L367-V373 HydrophobicContact CB-CG2 3.8Å; L367-V373 HydrophobicContact CD1-CG2 4.23Å; L367-L376 HydrophobicContact CD1-CB 4.06Å; L367-L376 HydrophobicContact CD1-CD2 3.73Å
368	T	91.3	Very high	95.1	Very high	119 Å²	119	62.7 Å²	62.7	73%	0.73	33%	0.333	S	S	*	.			trans	-112.7	-17	-171.1	56.6	0	0	0	0	113.8	H309	H309-T368 PolarHBondContact CE1-O 3.27Å
369	N	93.2	Very high	95	Very high	61 Å²	61	63.7 Å²	63.7	33%	0.326	34%	0.34	S	S	.	.	S	Bend	trans	-118.7	145.7	177.6	70.4	71.1	0	0	0	111.8	A371 E372 V373	N369-A371 PolarHBondContact O-N 3.49Å; N369-A371 PolarHBondContact OD1-N 2.87Å; N369-E372 PolarHBondContact ND2-OE1 3.22Å; N369-E372 PolarHBondContact ND2-OE2 3.06Å; N369-E372 PolarHBondContact O-N 3.08Å; N369-E372 WeakPolarHBondContact OD1-CB 3.17Å; N369-E372 WeakPolarHBondContact OD1-CG 3.43Å; N369-E372 PolarHBondContact OD1-N 3.45Å; N369-V373 WeakPolarHBondContact O-CG2 3.48Å; N369-V373 PolarHBondContact O-N 2.96Å
370	S	93.8	Very high	94.9	Very high	51 Å²	51	61.8 Å²	61.8	36%	0.357	33%	0.326	S	S	.	.	H	α-helix	trans	-64	-28	-173.4	-52.9	0	0	0	0	113.2	H309 V373 F374	H309-S370 WeakPolarHBondContact CB-OG 3.48Å; H309-S370 PolarHBondContact ND1-N 2.95Å; H309-S370 PolarHBondContact ND1-OG 2.94Å; H309-S370 VanDerWaalsContact ND1-OG 3.09Å; H309-S370 PolarHBondContact O-OG 3.43Å; S370-V373 PolarHBondContact O-N 3.16Å; S370-F374 WeakPolarHBondContact O-CB 3.48Å; S370-F374 PolarHBondContact O-N 2.84Å
371	A	94	Very high	94.9	Very high	59 Å²	59	58.9 Å²	58.9	49%	0.488	31%	0.313	S	S	.	.	H	α-helix	trans	-68.3	-44.3	178.7	0	0	0	0	0	111.9	N369 V373 F374 N375	N369-A371 PolarHBondContact O-N 3.49Å; N369-A371 PolarHBondContact OD1-N 2.87Å; A371-V373 VanDerWaalsContact C-N 3.34Å; A371-V373 PolarHBondContact O-N 2.98Å; A371-F374 PolarHBondContact O-N 3.3Å; A371-N375 WeakPolarHBondContact O-CB 3.44Å; A371-N375 PolarHBondContact O-N 2.73Å; A371-N375 PolarHBondContact O-ND2 3.39Å
372	E	95.3	Very high	94.7	Very high	84 Å²	84	61.4 Å²	61.4	39%	0.393	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-41.5	174	-77.7	171.5	-159.7	0	0	111.9	L367 N369 N375 L376	L367-E372 HydrophobicContact CB-CB 4.43Å; L367-E372 HydrophobicContact CD1-CB 4.17Å; L367-E372 HydrophobicContact CD2-CB 4.11Å; L367-E372 WeakPolarHBondContact CD2-OE2 3.38Å; L367-E372 HydrophobicContact CG-CB 4.45Å; N369-E372 PolarHBondContact ND2-OE1 3.22Å; N369-E372 PolarHBondContact ND2-OE2 3.06Å; N369-E372 PolarHBondContact O-N 3.08Å; N369-E372 WeakPolarHBondContact OD1-CB 3.17Å; N369-E372 WeakPolarHBondContact OD1-CG 3.43Å; N369-E372 PolarHBondContact OD1-N 3.45Å; E372-N375 PolarHBondContact O-N 2.68Å; E372-L376 WeakPolarHBondContact O-CB 3.22Å; E372-L376 PolarHBondContact O-N 3.38Å
373	V	95.2	Very high	94.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-49	175.1	-178.1	0	0	0	0	110.2	V305 I311 L364 L367 N369 S370 A371 N375 L376 L377	V305-V373 HydrophobicContact CG1-CG1 4.09Å; V305-V373 HydrophobicContact CG1-CG2 4.33Å; I311-V373 HydrophobicContact CD1-CB 3.74Å; I311-V373 HydrophobicContact CD1-CG1 3.6Å; L364-V373 HydrophobicContact CD2-CG1 3.92Å; L367-V373 HydrophobicContact CB-CG2 3.8Å; L367-V373 HydrophobicContact CD1-CG2 4.23Å; N369-V373 WeakPolarHBondContact O-CG2 3.48Å; N369-V373 PolarHBondContact O-N 2.96Å; S370-V373 PolarHBondContact O-N 3.16Å; A371-V373 VanDerWaalsContact C-N 3.34Å; A371-V373 PolarHBondContact O-N 2.98Å; V373-N375 PolarHBondContact O-N 3.1Å; V373-L376 PolarHBondContact O-N 2.8Å; V373-L377 HydrophobicContact CG1-CD1 3.93Å; V373-L377 HydrophobicContact CG1-CG 4.36Å; V373-L377 WeakPolarHBondContact O-CB 3.28Å; V373-L377 WeakPolarHBondContact O-CG 3.38Å; V373-L377 PolarHBondContact O-N 2.64Å
374	F	95	Very high	94.5	Very high	74 Å²	74	57.1 Å²	57.1	33%	0.325	31%	0.309	S	S	.	.	H	α-helix	trans	-62.4	-41.8	179.2	-173.2	-87.6	0	0	0	112.8	I311 L315 I316 S370 A371 L377 S378	I311-F374 HydrophobicContact CD1-CB 4.42Å; L315-F374 HydrophobicContact CB-CE2 4.02Å; L315-F374 HydrophobicContact CD1-CE2 4.3Å; I316-F374 HydrophobicContact CD1-CD2 3.88Å; I316-F374 HydrophobicContact CD1-CE2 3.79Å; I316-F374 HydrophobicContact CD1-CG 4.4Å; I316-F374 HydrophobicContact CD1-CZ 4.23Å; I316-F374 HydrophobicContact CG1-CD2 4.34Å; I316-F374 HydrophobicContact CG1-CE2 3.73Å; I316-F374 HydrophobicContact CG1-CZ 3.97Å; S370-F374 WeakPolarHBondContact O-CB 3.48Å; S370-F374 PolarHBondContact O-N 2.84Å; A371-F374 PolarHBondContact O-N 3.3Å; F374-L377 PolarHBondContact O-N 3.47Å; F374-S378 WeakPolarHBondContact CE1-OG 3.4Å; F374-S378 WeakPolarHBondContact O-CB 3.48Å; F374-S378 PolarHBondContact O-N 3.29Å; F374-S378 PolarHBondContact O-OG 3.27Å
375	N	95	Very high	94.2	Very high	87 Å²	87	62.6 Å²	62.6	47%	0.465	34%	0.342	S	S	.	.	H	α-helix	trans	-63.9	-48.4	177.7	-70.8	-16.2	0	0	0	111.1	A371 E372 V373 L377 S378 E379	A371-N375 WeakPolarHBondContact O-CB 3.44Å; A371-N375 PolarHBondContact O-N 2.73Å; A371-N375 PolarHBondContact O-ND2 3.39Å; E372-N375 PolarHBondContact O-N 2.68Å; V373-N375 PolarHBondContact O-N 3.1Å; N375-L377 VanDerWaalsContact C-N 3.33Å; N375-L377 PolarHBondContact O-N 3.06Å; N375-S378 PolarHBondContact O-N 3.15Å; N375-E379 WeakPolarHBondContact O-CG 3.39Å; N375-E379 PolarHBondContact O-N 3.07Å
376	L	96.1	Very high	94	Very high	28 Å²	28	59.9 Å²	59.9	15%	0.147	34%	0.338	C	S	.	.	H	α-helix	trans	-58.9	-46.7	176.3	176.9	58.9	0	0	0	110.8	N363 L364 L367 E372 V373 S378 E379 L380 L383	N363-L376 HydrophobicContact CB-CD2 3.84Å; L364-L376 HydrophobicContact CD2-CD2 3.79Å; L364-L376 HydrophobicContact CD2-CG 4.23Å; L364-L376 HydrophobicContact CG-CD2 4.05Å; L367-L376 HydrophobicContact CD1-CB 4.06Å; L367-L376 HydrophobicContact CD1-CD2 3.73Å; E372-L376 WeakPolarHBondContact O-CB 3.22Å; E372-L376 PolarHBondContact O-N 3.38Å; V373-L376 PolarHBondContact O-N 2.8Å; L376-S378 VanDerWaalsContact C-N 3.32Å; L376-S378 PolarHBondContact O-N 3.08Å; L376-E379 PolarHBondContact O-N 3.44Å; L376-L380 HydrophobicContact CD1-CD2 4.18Å; L376-L380 HydrophobicContact CG-CD2 4.3Å; L376-L380 VanDerWaalsContact O-CG 3.28Å; L376-L380 WeakPolarHBondContact O-CG 3.25Å; L376-L380 PolarHBondContact O-N 3.41Å; L376-L383 HydrophobicContact CD1-CD1 4.23Å
377	L	95.7	Very high	93.9	Very high	6 Å²	6	54 Å²	54	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-57.9	-43.3	177.2	-71.8	172.4	0	0	0	111.9	L306 I311 I316 W320 L357 L364 V373 F374 N375 E379 L380	L306-L377 HydrophobicContact CD2-CD1 3.7Å; I311-L377 HydrophobicContact CG2-CD1 4.17Å; I316-L377 HydrophobicContact CD1-CB 3.33Å; I316-L377 HydrophobicContact CD1-CD1 4.14Å; I316-L377 HydrophobicContact CD1-CG 4.38Å; W320-L377 WeakPolarHBondContact CZ2-O 3.24Å; L357-L377 HydrophobicContact CD2-CD2 3.4Å; L364-L377 HydrophobicContact CD1-CD2 4.06Å; L364-L377 HydrophobicContact CD2-CD2 3.85Å; L364-L377 HydrophobicContact CD2-CG 3.95Å; V373-L377 HydrophobicContact CG1-CD1 3.93Å; V373-L377 HydrophobicContact CG1-CG 4.36Å; V373-L377 WeakPolarHBondContact O-CB 3.28Å; V373-L377 WeakPolarHBondContact O-CG 3.38Å; V373-L377 PolarHBondContact O-N 2.64Å; F374-L377 PolarHBondContact O-N 3.47Å; N375-L377 VanDerWaalsContact C-N 3.33Å; N375-L377 PolarHBondContact O-N 3.06Å; L377-E379 VanDerWaalsContact C-N 3.34Å; L377-L380 HydrophobicContact CD2-CD1 3.85Å; L377-L380 WeakPolarHBondContact O-CB 3.25Å; L377-L380 PolarHBondContact O-N 3.27Å
378	S	93.6	Very high	94	Very high	51 Å²	51	55.8 Å²	55.8	36%	0.357	32%	0.317	S	S	.	.	H	α-helix	trans	-67.2	-34.6	-179.7	-60.9	0	0	0	0	112.5	F374 N375 L376	F374-S378 WeakPolarHBondContact CE1-OG 3.4Å; F374-S378 WeakPolarHBondContact O-CB 3.48Å; F374-S378 PolarHBondContact O-N 3.29Å; F374-S378 PolarHBondContact O-OG 3.27Å; N375-S378 PolarHBondContact O-N 3.15Å; L376-S378 VanDerWaalsContact C-N 3.32Å; L376-S378 PolarHBondContact O-N 3.08Å
379	E	94.2	Very high	94.1	Very high	107 Å²	107	55.3 Å²	55.3	50%	0.5	31%	0.308	S	S	.	.	H	α-helix	trans	-82.7	-16.5	177.8	-69.4	173.9	-169.5	0	0	113.4	N375 L376 L377 P381 S382 L383	N375-E379 WeakPolarHBondContact O-CG 3.39Å; N375-E379 PolarHBondContact O-N 3.07Å; L376-E379 PolarHBondContact O-N 3.44Å; L377-E379 VanDerWaalsContact C-N 3.34Å; E379-P381 VanDerWaalsContact C-CD 3.43Å; E379-P381 VanDerWaalsContact O-N 3.1Å; E379-S382 PolarHBondContact O-N 2.66Å; E379-S382 PolarHBondContact O-OG 2.96Å; E379-L383 PolarHBondContact O-N 2.7Å
380	L	94.8	Very high	94.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-44.7	-50.2	-173.3	-77.4	-178.6	0	0	0	114.6	W320 L356 L357 K360 L376 L377 S382 L383 F384	W320-L380 HydrophobicContact CH2-CD1 4.46Å; L356-L380 HydrophobicContact CB-CB 4.5Å; L356-L380 HydrophobicContact CB-CD1 4.45Å; L357-L380 HydrophobicContact CD2-CD1 3.88Å; K360-L380 HydrophobicContact CB-CD2 3.66Å; K360-L380 HydrophobicContact CG-CD2 3.31Å; L376-L380 HydrophobicContact CD1-CD2 4.18Å; L376-L380 HydrophobicContact CG-CD2 4.3Å; L376-L380 VanDerWaalsContact O-CG 3.28Å; L376-L380 WeakPolarHBondContact O-CG 3.25Å; L376-L380 PolarHBondContact O-N 3.41Å; L377-L380 HydrophobicContact CD2-CD1 3.85Å; L377-L380 WeakPolarHBondContact O-CB 3.25Å; L377-L380 PolarHBondContact O-N 3.27Å; L380-S382 VanDerWaalsContact C-N 3.32Å; L380-S382 PolarHBondContact O-N 2.86Å; L380-L383 PolarHBondContact O-N 3.15Å; L380-F384 VanDerWaalsContact O-CD2 3.26Å; L380-F384 WeakPolarHBondContact O-CD2 3.46Å
381	P	94.6	Very high	94.5	Very high	1 Å²	1	50 Å²	50	1%	0.006	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-63.1	-36.5	-176.7	-20.6	33.8	0	0	0	113	W320 S328 L329 P330 L356 E379 L383 F384	W320-P381 HydrophobicContact CD2-CG 4.39Å; W320-P381 HydrophobicContact CZ2-CG 3.73Å; S328-P381 CarbonylContact O-C 3.52Å; S328-P381 WeakPolarHBondContact O-CB 3.18Å; L329-P381 HydrophobicContact CD2-CB 3.9Å; L329-P381 WeakPolarHBondContact CD2-O 3.27Å; L329-P381 HydrophobicContact CG-CB 4.27Å; P330-P381 WeakPolarHBondContact CD-O 3.33Å; L356-P381 HydrophobicContact CD1-CB 4.31Å; L356-P381 HydrophobicContact CD1-CG 3.98Å; E379-P381 VanDerWaalsContact C-CD 3.43Å; E379-P381 VanDerWaalsContact O-N 3.1Å; P381-L383 PolarHBondContact O-N 2.92Å; P381-F384 PolarHBondContact O-N 3.19Å
382	S	94.1	Very high	94.6	Very high	66 Å²	66	50.4 Å²	50.4	46%	0.462	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-71.4	-20.8	-176.3	70.4	0	0	0	0	112.9	S328 E379 L380 F384	S328-S382 PolarHBondContact O-N 3.14Å; E379-S382 PolarHBondContact O-N 2.66Å; E379-S382 PolarHBondContact O-OG 2.96Å; L380-S382 VanDerWaalsContact C-N 3.32Å; L380-S382 PolarHBondContact O-N 2.86Å; S382-F384 PolarHBondContact O-N 2.85Å
383	L	94.1	Very high	94.8	Very high	81 Å²	81	48.1 Å²	48.1	42%	0.424	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-70.5	-13.2	177.3	-58.3	179.2	0	0	0	113.7	L376 E379 L380 P381	L376-L383 HydrophobicContact CD1-CD1 4.23Å; E379-L383 PolarHBondContact O-N 2.7Å; L380-L383 PolarHBondContact O-N 3.15Å; P381-L383 PolarHBondContact O-N 2.92Å
384	F	93.1	Very high	94.9	Very high	10 Å²	10	48.1 Å²	48.1	4%	0.044	27%	0.265	C	S	.	.			trans	-98.7	93.5	-177.7	-73.3	-94	0	0	0	111.8	P330 V333 L356 S359 L380 P381 S382 L390	P330-F384 WeakPolarHBondContact CD-O 3.05Å; P330-F384 VanDerWaalsContact CG-O 3.26Å; P330-F384 WeakPolarHBondContact CG-O 3.37Å; V333-F384 VanDerWaalsContact CG2-O 3.24Å; V333-F384 WeakPolarHBondContact CG2-O 3.49Å; L356-F384 HydrophobicContact CD2-CD2 3.38Å; L356-F384 HydrophobicContact CD2-CE2 3.26Å; L356-F384 HydrophobicContact CD2-CG 4.2Å; L356-F384 HydrophobicContact CD2-CZ 3.98Å; L356-F384 HydrophobicContact CG-CE2 4.5Å; S359-F384 WeakPolarHBondContact OG-CZ 3.5Å; L380-F384 VanDerWaalsContact O-CD2 3.26Å; L380-F384 WeakPolarHBondContact O-CD2 3.46Å; P381-F384 PolarHBondContact O-N 3.19Å; S382-F384 PolarHBondContact O-N 2.85Å; F384-L390 HydrophobicContact CD1-CB 3.71Å; F384-L390 HydrophobicContact CD1-CD1 4.03Å; F384-L390 HydrophobicContact CD1-CG 4.31Å; F384-L390 HydrophobicContact CE1-CB 4.11Å; F384-L390 HydrophobicContact CE1-CD1 3.82Å; F384-L390 HydrophobicContact CG-CB 4.42Å; F384-L390 HydrophobicContact CG-CD1 4.45Å; F384-L390 HydrophobicContact CZ-CD1 4.12Å
385	T	90.3	Very high	95	Very high	116 Å²	116	47.7 Å²	47.7	71%	0.712	27%	0.266	S	S	*	.			trans	-91.1	-22.2	173.7	55.5	0	0	0	0	113.3	P330 V333	P330-T385 HydrophobicContact CG-CG2 4.5Å; V333-T385 WeakPolarHBondContact CG2-O 3.46Å
386	D	91.5	Very high	95.1	Very high	81 Å²	81	47.1 Å²	47.1	43%	0.433	27%	0.269	S	S	.	.			trans	-100.2	114.3	176.1	-176.9	-2	0	0	0	111	E388 M389 L390	D386-E388 PolarHBondContact OD1-N 3.16Å; D386-M389 HydrophobicContact CB-CB 4.15Å; D386-L390 PolarHBondContact O-N 2.56Å
387	A	93.7	Very high	95.1	Very high	11 Å²	11	46.5 Å²	46.5	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-36.8	179.4	0	0	0	0	0	112.6	V333 R336 M389 L390 L391	V333-A387 HydrophobicContact CB-CB 4.5Å; V333-A387 HydrophobicContact CG1-CB 4.4Å; V333-A387 HydrophobicContact CG2-CB 4.12Å; R336-A387 HydrophobicContact CB-CB 4.04Å; R336-A387 HydrophobicContact CG-CB 3.77Å; A387-M389 VanDerWaalsContact C-N 3.33Å; A387-M389 PolarHBondContact O-N 2.95Å; A387-L390 PolarHBondContact O-N 3.38Å; A387-L391 WeakPolarHBondContact O-CB 3.39Å; A387-L391 WeakPolarHBondContact O-CG 3.46Å; A387-L391 PolarHBondContact O-N 2.98Å
388	E	95	Very high	95	Very high	78 Å²	78	48.5 Å²	48.5	36%	0.364	28%	0.28	S	S	.	.	H	α-helix	trans	-69	-35.3	-177.2	-67.5	-51.6	142	0	0	111.8	R152 R336 D386 L391 S392	R152-E388 IonicContact CZ-OE2 3.73Å; R152-E388 IonicContact NH1-OE1 3.63Å; R152-E388 IonicContact NH1-OE2 3.39Å; R152-E388 PolarHBondContact NH1-OE2 3.18Å; R152-E388 IonicContact NH2-OE2 2.82Å; R336-E388 IonicContact CZ-OE1 3.64Å; R336-E388 IonicContact NH1-OE1 3.69Å; R336-E388 PolarHBondContact NH1-OE1 3.19Å; R336-E388 IonicContact NH2-OE1 2.63Å; R336-E388 PolarHBondContact NH2-OE1 3.38Å; D386-E388 PolarHBondContact OD1-N 3.16Å; E388-L391 PolarHBondContact O-N 2.72Å; E388-S392 WeakPolarHBondContact O-CB 3.11Å; E388-S392 PolarHBondContact O-N 2.65Å; E388-S392 PolarHBondContact O-OG 3.34Å
389	M	95	Very high	95	Very high	109 Å²	109	51.1 Å²	51.1	54%	0.537	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-51.2	173	-173.9	-173.8	-61.7	0	0	110.8	D386 A387 S392	D386-M389 HydrophobicContact CB-CB 4.15Å; A387-M389 VanDerWaalsContact C-N 3.33Å; A387-M389 PolarHBondContact O-N 2.95Å; M389-S392 PolarHBondContact O-OG 3.3Å
390	L	97.1	Very high	95.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.1	-47.1	178.7	-179.8	56.8	0	0	0	111.5	L329 V333 I337 V352 A355 L356 F384 D386 A387 S392 I393 V394	L329-L390 HydrophobicContact CD2-CD2 4.19Å; V333-L390 HydrophobicContact CG1-CD2 3.78Å; I337-L390 HydrophobicContact CD1-CD2 4.19Å; I337-L390 HydrophobicContact CG1-CD2 4.48Å; V352-L390 HydrophobicContact CG1-CD2 4.36Å; A355-L390 HydrophobicContact CB-CD1 3.89Å; L356-L390 HydrophobicContact CD2-CD1 3.97Å; L356-L390 HydrophobicContact CG-CD1 4.42Å; F384-L390 HydrophobicContact CD1-CB 3.71Å; F384-L390 HydrophobicContact CD1-CD1 4.03Å; F384-L390 HydrophobicContact CD1-CG 4.31Å; F384-L390 HydrophobicContact CE1-CB 4.11Å; F384-L390 HydrophobicContact CE1-CD1 3.82Å; F384-L390 HydrophobicContact CG-CB 4.42Å; F384-L390 HydrophobicContact CG-CD1 4.45Å; F384-L390 HydrophobicContact CZ-CD1 4.12Å; D386-L390 PolarHBondContact O-N 2.56Å; A387-L390 PolarHBondContact O-N 3.38Å; L390-S392 VanDerWaalsContact C-N 3.32Å; L390-S392 PolarHBondContact O-N 3.32Å; L390-I393 PolarHBondContact O-N 3.15Å; L390-I393 VanDerWaalsContact O-N 3.12Å; L390-V394 HydrophobicContact CD1-CG2 4.49Å; L390-V394 HydrophobicContact CG-CG2 4.43Å; L390-V394 WeakPolarHBondContact O-CG2 3.42Å; L390-V394 PolarHBondContact O-N 3.17Å
391	L	97.2	Very high	95.2	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-34.1	-176.6	-69.5	177.6	0	0	0	112.6	R152 R336 I337 M340 A387 E388 I393 V394 D395	R152-L391 VanDerWaalsContact NH2-CB 3.29Å; R336-L391 HydrophobicContact CB-CD1 4.38Å; I337-L391 HydrophobicContact CD1-CD2 3.68Å; M340-L391 HydrophobicContact SD-CD2 3.41Å; M340-L391 WeakPolarHBondContact SD-CD2 3.43Å; A387-L391 WeakPolarHBondContact O-CB 3.39Å; A387-L391 WeakPolarHBondContact O-CG 3.46Å; A387-L391 PolarHBondContact O-N 2.98Å; E388-L391 PolarHBondContact O-N 2.72Å; L391-I393 VanDerWaalsContact C-N 3.25Å; L391-I393 PolarHBondContact O-N 3.04Å; L391-V394 WeakPolarHBondContact O-CB 3.29Å; L391-V394 PolarHBondContact O-N 3.28Å; L391-D395 PolarHBondContact O-N 3.11Å
392	S	97.3	Very high	95.3	Very high	68 Å²	68	50 Å²	50	48%	0.476	30%	0.301	S	S	.	.	H	α-helix	trans	-60.8	-34.8	174.1	74	0	0	0	0	112.8	E388 M389 L390	E388-S392 WeakPolarHBondContact O-CB 3.11Å; E388-S392 PolarHBondContact O-N 2.65Å; E388-S392 PolarHBondContact O-OG 3.34Å; M389-S392 PolarHBondContact O-OG 3.3Å; L390-S392 VanDerWaalsContact C-N 3.32Å; L390-S392 PolarHBondContact O-N 3.32Å
393	I	97.8	Very high	95.1	Very high	35 Å²	35	50.8 Å²	50.8	18%	0.179	30%	0.297	C	S	.	.	H	α-helix	trans	-76.4	-40.5	175.6	-55.3	172.1	0	0	0	109.8	A355 K358 L390 L391 D395 S396 F397	A355-I393 HydrophobicContact CB-CB 3.91Å; A355-I393 HydrophobicContact CB-CG2 3.59Å; K358-I393 HydrophobicContact CB-CG2 4.2Å; K358-I393 HydrophobicContact CG-CG2 4.26Å; L390-I393 PolarHBondContact O-N 3.15Å; L390-I393 VanDerWaalsContact O-N 3.12Å; L391-I393 VanDerWaalsContact C-N 3.25Å; L391-I393 PolarHBondContact O-N 3.04Å; I393-D395 VanDerWaalsContact C-N 3.27Å; I393-D395 PolarHBondContact O-N 2.72Å; I393-S396 WeakPolarHBondContact O-CB 2.9Å; I393-S396 PolarHBondContact O-N 2.87Å; I393-S396 VanDerWaalsContact O-N 3.13Å; I393-S396 PolarHBondContact O-OG 2.96Å; I393-F397 HydrophobicContact CG2-CE2 4.11Å; I393-F397 WeakPolarHBondContact O-CD2 3.48Å
394	V	97.7	Very high	95	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-54.9	-43.7	173.4	165.1	0	0	0	0	111.1	M340 K351 V352 A355 L390 L391 S396 F397	M340-V394 HydrophobicContact CE-CG1 4.36Å; K351-V394 HydrophobicContact CB-CG1 3.87Å; K351-V394 HydrophobicContact CD-CG1 4.22Å; V352-V394 HydrophobicContact CG2-CG2 3.96Å; A355-V394 HydrophobicContact CB-CG2 3.67Å; L390-V394 HydrophobicContact CD1-CG2 4.49Å; L390-V394 HydrophobicContact CG-CG2 4.43Å; L390-V394 WeakPolarHBondContact O-CG2 3.42Å; L390-V394 PolarHBondContact O-N 3.17Å; L391-V394 WeakPolarHBondContact O-CB 3.29Å; L391-V394 PolarHBondContact O-N 3.28Å; V394-S396 PolarHBondContact O-N 3.46Å; V394-F397 PolarHBondContact O-N 2.84Å
395	D	97	Very high	95.2	Very high	66 Å²	66	57.4 Å²	57.4	35%	0.353	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-33.1	179.8	-68.1	-32	0	0	0	112.2	R152 L391 I393 F397 S398	R152-D395 IonicContact CZ-OD2 3.35Å; R152-D395 VanDerWaalsContact CZ-OD2 3.26Å; R152-D395 IonicContact NE-OD1 3.68Å; R152-D395 PolarHBondContact NE-OD1 3.03Å; R152-D395 IonicContact NE-OD2 2.82Å; R152-D395 PolarHBondContact NE-OD2 3.03Å; R152-D395 IonicContact NH2-OD2 2.68Å; R152-D395 PolarHBondContact NH2-OD2 2.92Å; L391-D395 PolarHBondContact O-N 3.11Å; I393-D395 VanDerWaalsContact C-N 3.27Å; I393-D395 PolarHBondContact O-N 2.72Å; D395-F397 PolarHBondContact O-N 3.14Å; D395-S398 WeakPolarHBondContact O-CB 3.42Å; D395-S398 PolarHBondContact O-N 3.4Å; D395-S398 VanDerWaalsContact O-N 3.08Å; D395-S398 PolarHBondContact O-OG 3.28Å
396	S	96.9	Very high	95.5	Very high	75 Å²	75	51.9 Å²	51.9	52%	0.524	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-19.7	176.9	80.4	0	0	0	0	113.7	I393 V394	I393-S396 WeakPolarHBondContact O-CB 2.9Å; I393-S396 PolarHBondContact O-N 2.87Å; I393-S396 VanDerWaalsContact O-N 3.13Å; I393-S396 PolarHBondContact O-OG 2.96Å; V394-S396 PolarHBondContact O-N 3.46Å
397	F	97.5	Very high	95.4	Very high	14 Å²	14	50.5 Å²	50.5	6%	0.061	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-5.7	176.6	-66.8	-70.5	0	0	0	113.8	L298 L299 K351 L354 A355 K358 I393 V394 D395 S399 A400 V401	L298-F397 HydrophobicContact CB-CE1 4.39Å; L298-F397 HydrophobicContact CD1-CD1 4.26Å; L299-F397 HydrophobicContact CD2-CE1 4.47Å; L299-F397 HydrophobicContact CD2-CZ 4.14Å; K351-F397 HydrophobicContact CG-CB 4.47Å; L354-F397 HydrophobicContact CB-CD1 4.32Å; L354-F397 HydrophobicContact CB-CD2 4.05Å; L354-F397 HydrophobicContact CB-CE1 4.13Å; L354-F397 HydrophobicContact CB-CE2 3.85Å; L354-F397 HydrophobicContact CB-CG 4.29Å; L354-F397 HydrophobicContact CB-CZ 3.89Å; L354-F397 HydrophobicContact CD1-CD1 4.16Å; L354-F397 HydrophobicContact CD1-CE1 4.47Å; L354-F397 HydrophobicContact CD1-CG 4.42Å; A355-F397 HydrophobicContact CB-CE2 4.34Å; K358-F397 HydrophobicContact CB-CE2 4.23Å; K358-F397 HydrophobicContact CB-CZ 4.01Å; K358-F397 HydrophobicContact CG-CZ 4.24Å; I393-F397 HydrophobicContact CG2-CE2 4.11Å; I393-F397 WeakPolarHBondContact O-CD2 3.48Å; V394-F397 PolarHBondContact O-N 2.84Å; D395-F397 PolarHBondContact O-N 3.14Å; F397-S399 VanDerWaalsContact C-N 3.29Å; F397-S399 PolarHBondContact O-N 3.34Å; F397-A400 PolarHBondContact O-N 3.22Å; F397-A400 VanDerWaalsContact O-N 3.1Å; F397-V401 HydrophobicContact CB-CG2 4.26Å; F397-V401 PolarHBondContact O-N 3.02Å
398	S	93.3	Very high	95.5	Very high	49 Å²	49	58.2 Å²	58.2	34%	0.343	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-31.5	-172.7	-73.9	0	0	0	0	114.4	D395	D395-S398 WeakPolarHBondContact O-CB 3.42Å; D395-S398 PolarHBondContact O-N 3.4Å; D395-S398 VanDerWaalsContact O-N 3.08Å; D395-S398 PolarHBondContact O-OG 3.28Å
399	S	93.7	Very high	95.5	Very high	106 Å²	106	54.7 Å²	54.7	74%	0.741	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-33.6	175.5	59.1	0	0	0	0	112.8	F397	F397-S399 VanDerWaalsContact C-N 3.29Å; F397-S399 PolarHBondContact O-N 3.34Å
400	A	95.7	Very high	95.4	Very high	26 Å²	26	51 Å²	51	22%	0.215	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-40.1	-177.1	0	0	0	0	0	112.2	L298 F397 R405	L298-A400 HydrophobicContact CD1-CB 4.18Å; L298-A400 HydrophobicContact CD2-CB 3.99Å; F397-A400 PolarHBondContact O-N 3.22Å; F397-A400 VanDerWaalsContact O-N 3.1Å; A400-R405 WeakPolarHBondContact O-CD 3.19Å; A400-R405 PolarHBondContact O-NH1 3.38Å
401	V	97.2	Very high	95	Very high	1 Å²	1	55 Å²	55	1%	0.006	31%	0.306	C	S	.	.	S	Bend	trans	-106.1	101.3	-177.7	-174.4	0	0	0	0	108.1	L298 I347 F350 K351 L354 F397 L406	L298-V401 HydrophobicContact CD1-CG2 3.78Å; I347-V401 HydrophobicContact CD1-CG1 4.46Å; I347-V401 WeakPolarHBondContact CD1-O 3.29Å; I347-V401 HydrophobicContact CG1-CG1 4.02Å; F350-V401 HydrophobicContact CB-CG1 4.2Å; K351-V401 HydrophobicContact CG-CB 4.18Å; K351-V401 HydrophobicContact CG-CG1 4.21Å; L354-V401 HydrophobicContact CD1-CG2 3.63Å; F397-V401 HydrophobicContact CB-CG2 4.26Å; F397-V401 PolarHBondContact O-N 3.02Å; V401-L406 HydrophobicContact CG1-CD1 4.32Å; V401-L406 HydrophobicContact CG1-CD2 4.13Å; V401-L406 HydrophobicContact CG1-CG 4.25Å
402	T	95.7	Very high	94.6	Very high	57 Å²	57	60.5 Å²	60.5	35%	0.35	33%	0.329	S	S	.	.			trans	-120.2	154.8	179.7	62.3	0	0	0	0	110.6	K404 R405 L406	T402-K404 VanDerWaalsContact C-N 3.26Å; T402-K404 PolarHBondContact O-N 3.42Å; T402-R405 WeakPolarHBondContact O-CB 3.28Å; T402-R405 PolarHBondContact O-N 3.13Å; T402-R405 WeakPolarHBondContact OG1-CB 2.95Å; T402-R405 PolarHBondContact OG1-N 3.41Å; T402-L406 PolarHBondContact O-N 3.06Å
403	E	91.1	Very high	94.2	Very high	82 Å²	82	58.3 Å²	58.3	38%	0.383	31%	0.312	S	S	.	.	H	α-helix	trans	-59	-39.6	-178.7	-168.2	56.7	-143.5	0	0	111.7	R405 L406 A407 R410	E403-R405 VanDerWaalsContact C-N 3.31Å; E403-R405 PolarHBondContact O-N 3.27Å; E403-L406 PolarHBondContact O-N 2.66Å; E403-A407 WeakPolarHBondContact O-CB 3.41Å; E403-A407 PolarHBondContact O-N 2.85Å; E403-R410 IonicContact OE1-NH1 3.26Å; E403-R410 PolarHBondContact OE1-NH1 3.02Å
404	K	91.7	Very high	93.5	Very high	183 Å²	183	58 Å²	58	80%	0.796	31%	0.312	S	S	*	.	H	α-helix	trans	-60.1	-39.9	175.1	-172.5	176.8	-178.1	177.6	0	112.2	T402 R408	T402-K404 VanDerWaalsContact C-N 3.26Å; T402-K404 PolarHBondContact O-N 3.42Å; K404-R408 PolarHBondContact O-N 3.49Å
405	R	96.4	Very high	92.5	Very high	48 Å²	48	64.2 Å²	64.2	18%	0.181	34%	0.342	C	S	.	.	H	α-helix	trans	-68.7	-46	176.5	-175.5	-179.2	-179.1	173.9	-0.4	110.6	E297 A400 T402 E403 R408 L409	E297-R405 IonicContact OE2-CZ 3.61Å; E297-R405 IonicContact OE2-NH2 3.98Å; E297-R405 PolarHBondContact OE2-NH2 3.41Å; A400-R405 WeakPolarHBondContact O-CD 3.19Å; A400-R405 PolarHBondContact O-NH1 3.38Å; T402-R405 WeakPolarHBondContact O-CB 3.28Å; T402-R405 PolarHBondContact O-N 3.13Å; T402-R405 WeakPolarHBondContact OG1-CB 2.95Å; T402-R405 PolarHBondContact OG1-N 3.41Å; E403-R405 VanDerWaalsContact C-N 3.31Å; E403-R405 PolarHBondContact O-N 3.27Å; R405-R408 PolarHBondContact O-N 3.44Å; R405-L409 HydrophobicContact CG-CD1 4.19Å; R405-L409 HydrophobicContact CG-CG 4.42Å; R405-L409 WeakPolarHBondContact O-CG 3.36Å; R405-L409 PolarHBondContact O-N 2.97Å
406	L	96.7	Very high	91.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60.5	-46.1	178	-69.5	-172.7	0	0	0	111.6	V290 L294 I347 F350 V401 T402 E403 R408 L409 R410	V290-L406 HydrophobicContact CG1-CD2 3.9Å; L294-L406 HydrophobicContact CD1-CD2 3.85Å; I347-L406 HydrophobicContact CB-CD1 3.85Å; I347-L406 HydrophobicContact CD1-CD1 4.36Å; I347-L406 HydrophobicContact CG1-CD1 3.66Å; F350-L406 HydrophobicContact CD1-CD2 4.3Å; F350-L406 HydrophobicContact CD2-CD1 3.68Å; F350-L406 HydrophobicContact CD2-CD2 4.17Å; F350-L406 HydrophobicContact CE1-CD2 4.44Å; F350-L406 HydrophobicContact CE2-CD1 4.03Å; F350-L406 HydrophobicContact CE2-CD2 4.34Å; F350-L406 HydrophobicContact CG-CD1 4.28Å; F350-L406 HydrophobicContact CG-CD2 4.13Å; F350-L406 HydrophobicContact CZ-CD2 4.44Å; V401-L406 HydrophobicContact CG1-CD1 4.32Å; V401-L406 HydrophobicContact CG1-CD2 4.13Å; V401-L406 HydrophobicContact CG1-CG 4.25Å; T402-L406 PolarHBondContact O-N 3.06Å; E403-L406 PolarHBondContact O-N 2.66Å; L406-R408 VanDerWaalsContact C-N 3.33Å; L406-R408 PolarHBondContact O-N 3.3Å; L406-L409 PolarHBondContact O-N 3.47Å; L406-R410 WeakPolarHBondContact O-CB 3.46Å; L406-R410 VanDerWaalsContact O-CG 3.3Å; L406-R410 WeakPolarHBondContact O-CG 3.42Å; L406-R410 PolarHBondContact O-N 3.47Å
407	A	90.6	Very high	90.6	Very high	51 Å²	51	63.7 Å²	63.7	42%	0.421	32%	0.324	S	S	.	.	H	α-helix	trans	-57.4	-44.5	176.4	0	0	0	0	0	112.1	E403 S411	E403-A407 WeakPolarHBondContact O-CB 3.41Å; E403-A407 PolarHBondContact O-N 2.85Å; A407-S411 WeakPolarHBondContact O-CB 3.43Å; A407-S411 PolarHBondContact O-N 3.42Å
408	R	94	Very high	89.5	Confident	173 Å²	173	68.1 Å²	68.1	65%	0.653	35%	0.347	S	S	*	.	H	α-helix	trans	-62.7	-43.9	175.8	-174.3	-177.6	68	165.2	1.3	112.2	K404 R405 L406 K412	K404-R408 PolarHBondContact O-N 3.49Å; R405-R408 PolarHBondContact O-N 3.44Å; L406-R408 VanDerWaalsContact C-N 3.33Å; L406-R408 PolarHBondContact O-N 3.3Å; R408-K412 PolarHBondContact O-N 3.4Å; R408-K412 VanDerWaalsContact O-N 3.15Å
409	L	96	Very high	88.5	Confident	5 Å²	5	68.8 Å²	68.8	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-67.4	-45.7	178.9	-69.1	-178.4	0	0	0	111.3	V290 L294 R405 L406 S411 K412 E413	V290-L409 HydrophobicContact CB-CB 4.48Å; V290-L409 HydrophobicContact CG1-CB 3.84Å; V290-L409 HydrophobicContact CG1-CD1 3.99Å; V290-L409 HydrophobicContact CG2-CB 3.96Å; L294-L409 HydrophobicContact CD2-CD1 3.97Å; L294-L409 HydrophobicContact CG-CD1 4.28Å; R405-L409 HydrophobicContact CG-CD1 4.19Å; R405-L409 HydrophobicContact CG-CG 4.42Å; R405-L409 WeakPolarHBondContact O-CG 3.36Å; R405-L409 PolarHBondContact O-N 2.97Å; L406-L409 PolarHBondContact O-N 3.47Å; L409-S411 VanDerWaalsContact C-N 3.32Å; L409-S411 PolarHBondContact O-N 3.47Å; L409-K412 PolarHBondContact O-N 2.8Å; L409-K412 VanDerWaalsContact O-N 3.14Å; L409-E413 WeakPolarHBondContact O-CG 3.16Å; L409-E413 PolarHBondContact O-N 2.87Å
410	R	92.8	Very high	87.1	Confident	32 Å²	32	67.4 Å²	67.4	12%	0.121	33%	0.333	C	S	.	.	H	α-helix	trans	-55.5	-45.7	174.9	-74.7	171.7	173.4	151	-7.6	111.8	I286 D287 V290 S346 E403 L406 K412 E413 S414	I286-R410 HydrophobicContact CG2-CB 4.1Å; I286-R410 HydrophobicContact CG2-CG 4.07Å; D287-R410 IonicContact OD1-CZ 3.57Å; D287-R410 IonicContact OD1-NE 2.82Å; D287-R410 PolarHBondContact OD1-NE 2.62Å; D287-R410 IonicContact OD1-NH2 2.85Å; D287-R410 PolarHBondContact OD1-NH2 3.45Å; D287-R410 IonicContact OD2-CZ 3.69Å; D287-R410 IonicContact OD2-NE 3.75Å; D287-R410 IonicContact OD2-NH2 3.93Å; D287-R410 PolarHBondContact OD2-NH2 3.02Å; V290-R410 HydrophobicContact CG2-CG 4.03Å; S346-R410 PolarHBondContact OG-NH2 3.48Å; E403-R410 IonicContact OE1-NH1 3.26Å; E403-R410 PolarHBondContact OE1-NH1 3.02Å; L406-R410 WeakPolarHBondContact O-CB 3.46Å; L406-R410 VanDerWaalsContact O-CG 3.3Å; L406-R410 WeakPolarHBondContact O-CG 3.42Å; L406-R410 PolarHBondContact O-N 3.47Å; R410-K412 PolarHBondContact O-N 2.82Å; R410-E413 PolarHBondContact O-N 3.2Å; R410-S414 WeakPolarHBondContact O-CB 3.47Å; R410-S414 PolarHBondContact O-N 3.31Å
411	S	89.3	Confident	85.1	Confident	84 Å²	84	69.5 Å²	69.5	59%	0.587	34%	0.338	S	S	*	.	H	α-helix	trans	-60.1	-44.5	176.6	176.9	0	0	0	0	112.1	A407 L409 H415	A407-S411 WeakPolarHBondContact O-CB 3.43Å; A407-S411 PolarHBondContact O-N 3.42Å; L409-S411 VanDerWaalsContact C-N 3.32Å; L409-S411 PolarHBondContact O-N 3.47Å; S411-H415 PolarHBondContact O-N 3.41Å; S411-H415 VanDerWaalsContact O-N 3.12Å
412	K	88.5	Confident	82.6	Confident	115 Å²	115	71.9 Å²	71.9	50%	0.5	36%	0.358	S	S	.	.	H	α-helix	trans	-64.6	-49.5	177.7	-175	179.8	178.8	179.5	0	112.5	R408 L409 R410 S414 H415 Y416	R408-K412 PolarHBondContact O-N 3.4Å; R408-K412 VanDerWaalsContact O-N 3.15Å; L409-K412 PolarHBondContact O-N 2.8Å; L409-K412 VanDerWaalsContact O-N 3.14Å; R410-K412 PolarHBondContact O-N 2.82Å; K412-S414 VanDerWaalsContact C-N 3.34Å; K412-H415 PolarHBondContact O-N 3.46Å; K412-Y416 PolarHBondContact O-N 2.93Å; K412-Y416 VanDerWaalsContact O-N 3.11Å
413	E	88.4	Confident	80	Confident	22 Å²	22	76 Å²	76	10%	0.103	38%	0.378	C	S	.	.	H	α-helix	trans	-69.3	-33.7	-178.2	-63.1	-51.3	140.7	0	0	111.8	I286 R289 V290 R293 L409 R410 Y416 M417	I286-E413 HydrophobicContact CG2-CB 4.26Å; R289-E413 HydrophobicContact CB-CB 4.24Å; R289-E413 HydrophobicContact CB-CG 4.08Å; V290-E413 HydrophobicContact CG2-CB 4.28Å; V290-E413 HydrophobicContact CG2-CG 3.87Å; R293-E413 IonicContact NH1-OE1 3.89Å; L409-E413 WeakPolarHBondContact O-CG 3.16Å; L409-E413 PolarHBondContact O-N 2.87Å; R410-E413 PolarHBondContact O-N 3.2Å; E413-Y416 PolarHBondContact O-N 3Å; E413-M417 WeakPolarHBondContact O-CB 3.46Å; E413-M417 WeakPolarHBondContact O-CG 2.95Å; E413-M417 PolarHBondContact O-N 3.07Å
414	S	83.7	Confident	77.6	Confident	28 Å²	28	77.7 Å²	77.7	20%	0.196	39%	0.39	C	S	.	.	H	α-helix	trans	-61.1	-47.8	172.3	-178.6	0	0	0	0	111.6	R410 K412 Y416 M417 M418	R410-S414 WeakPolarHBondContact O-CB 3.47Å; R410-S414 PolarHBondContact O-N 3.31Å; K412-S414 VanDerWaalsContact C-N 3.34Å; S414-Y416 VanDerWaalsContact C-N 3.35Å; S414-Y416 PolarHBondContact O-N 3.08Å; S414-M417 PolarHBondContact O-N 3.24Å; S414-M418 WeakPolarHBondContact O-CG 3.19Å; S414-M418 PolarHBondContact O-N 3.24Å
415	H	76.2	Confident	75	Confident	132 Å²	132	74.2 Å²	74.2	61%	0.611	38%	0.384	S	S	*	.	H	α-helix	trans	-59.7	-46.2	176.9	-171.2	73.7	0	0	0	111.4	S411 K412 M417 M418 T419	S411-H415 PolarHBondContact O-N 3.41Å; S411-H415 VanDerWaalsContact O-N 3.12Å; K412-H415 PolarHBondContact O-N 3.46Å; H415-M417 PolarHBondContact O-N 3.4Å; H415-M418 PolarHBondContact O-N 3.3Å; H415-T419 WeakPolarHBondContact O-CG2 3.49Å; H415-T419 PolarHBondContact O-N 3.47Å; H415-T419 PolarHBondContact O-OG1 3.35Å
416	Y	77.7	Confident	72.4	Confident	118 Å²	118	75.9 Å²	75.9	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-62.7	-38.1	177.5	179.3	-116.1	0	0	0	113.2	K412 E413 S414 T419 N420	K412-Y416 PolarHBondContact O-N 2.93Å; K412-Y416 VanDerWaalsContact O-N 3.11Å; E413-Y416 PolarHBondContact O-N 3Å; S414-Y416 VanDerWaalsContact C-N 3.35Å; S414-Y416 PolarHBondContact O-N 3.08Å; Y416-T419 PolarHBondContact O-OG1 3.13Å; Y416-T419 VanDerWaalsContact O-OG1 3.06Å; Y416-N420 VanDerWaalsContact CE2-ND2 3.32Å; Y416-N420 WeakPolarHBondContact CE2-ND2 3.35Å; Y416-N420 WeakPolarHBondContact O-CB 3.48Å; Y416-N420 PolarHBondContact O-N 3.15Å; Y416-N420 PolarHBondContact OH-ND2 3.33Å
417	M	76.2	Confident	69.9	Low	11 Å²	11	78.9 Å²	78.9	5%	0.054	42%	0.424	C	S	.	.	H	α-helix	trans	-65.7	-42.3	173.7	-79.4	-173.9	66.6	0	0	112.4	F282 M285 I286 R289 E413 S414 H415 Q421	F282-M417 HydrophobicContact CD2-CE 3.98Å; F282-M417 HydrophobicContact CE2-CB 4.13Å; F282-M417 HydrophobicContact CE2-CE 3.87Å; F282-M417 HydrophobicContact CZ-CB 4.23Å; M285-M417 HydrophobicContact CB-CE 3.87Å; M285-M417 HydrophobicContact CB-SD 4.39Å; I286-M417 HydrophobicContact CB-SD 4.49Å; I286-M417 HydrophobicContact CG1-SD 3.62Å; R289-M417 VanDerWaalsContact CZ-CG 3.43Å; E413-M417 WeakPolarHBondContact O-CB 3.46Å; E413-M417 WeakPolarHBondContact O-CG 2.95Å; E413-M417 PolarHBondContact O-N 3.07Å; S414-M417 PolarHBondContact O-N 3.24Å; H415-M417 PolarHBondContact O-N 3.4Å; M417-Q421 WeakPolarHBondContact O-CB 3.29Å; M417-Q421 WeakPolarHBondContact O-CG 3.26Å; M417-Q421 PolarHBondContact O-N 3.14Å
418	M	74.9	Confident	67.4	Low	108 Å²	108	80.6 Å²	80.6	53%	0.532	43%	0.425	S	S	.	.	H	α-helix	trans	-67.1	-40.8	179.4	-71.1	-172.1	178	0	0	112.2	F282 S414 H415 Q421 A422	F282-M418 HydrophobicContact CE1-CE 3.9Å; F282-M418 HydrophobicContact CZ-CE 3.89Å; F282-M418 HydrophobicContact CZ-CG 3.94Å; S414-M418 WeakPolarHBondContact O-CG 3.19Å; S414-M418 PolarHBondContact O-N 3.24Å; H415-M418 PolarHBondContact O-N 3.3Å; M418-Q421 PolarHBondContact O-N 3.43Å; M418-A422 PolarHBondContact O-N 3.4Å; M418-A422 VanDerWaalsContact O-N 3.09Å
419	T	72.4	Confident	64.7	Low	63 Å²	63	75.9 Å²	75.9	39%	0.387	41%	0.413	S	S	.	.	H	α-helix	trans	-66.5	-39.3	177.7	54	0	0	0	0	112	H415 Y416 A422	H415-T419 WeakPolarHBondContact O-CG2 3.49Å; H415-T419 PolarHBondContact O-N 3.47Å; H415-T419 PolarHBondContact O-OG1 3.35Å; Y416-T419 PolarHBondContact O-OG1 3.13Å; Y416-T419 VanDerWaalsContact O-OG1 3.06Å; T419-A422 PolarHBondContact O-N 2.94Å
420	N	63.4	Low	62.1	Low	76 Å²	76	77.6 Å²	77.6	41%	0.406	43%	0.425	S	S	.	.	H	α-helix	trans	-77	-21	179.5	-70.8	10.6	0	0	0	113.4	Y416	Y416-N420 VanDerWaalsContact CE2-ND2 3.32Å; Y416-N420 WeakPolarHBondContact CE2-ND2 3.35Å; Y416-N420 WeakPolarHBondContact O-CB 3.48Å; Y416-N420 PolarHBondContact O-N 3.15Å; Y416-N420 PolarHBondContact OH-ND2 3.33Å
421	Q	54.8	Low	59.6	Low	70 Å²	70	81.5 Å²	81.5	33%	0.327	45%	0.448	S	S	.	.	H	α-helix	trans	-89	-14.7	173.6	-77.7	-175.1	-10.4	0	0	113.4	M417 M418 D423 N424	M417-Q421 WeakPolarHBondContact O-CB 3.29Å; M417-Q421 WeakPolarHBondContact O-CG 3.26Å; M417-Q421 PolarHBondContact O-N 3.14Å; M418-Q421 PolarHBondContact O-N 3.43Å; Q421-D423 PolarHBondContact O-N 2.99Å; Q421-N424 CarbonylContact O-C 3.57Å; Q421-N424 WeakPolarHBondContact O-CA 2.94Å; Q421-N424 PolarHBondContact O-N 3.44Å
422	A	43.5	Very low	56.9	Low	52 Å²	52	86.4 Å²	86.4	43%	0.43	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.4	176.9	0	0	0	0	0	113	M418 T419 N424	M418-A422 PolarHBondContact O-N 3.4Å; M418-A422 VanDerWaalsContact O-N 3.09Å; T419-A422 PolarHBondContact O-N 2.94Å; A422-N424 PolarHBondContact O-N 2.7Å
423	D	41.6	Very low	54.3	Low	144 Å²	144	88.1 Å²	88.1	77%	0.77	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.5	170.6	-70.6	-24.4	0	0	0	113.3	Q421	Q421-D423 PolarHBondContact O-N 2.99Å
424	N	41.4	Very low	51.9	Low	117 Å²	117	93.3 Å²	93.3	63%	0.626	48%	0.48	S	S	*	.			trans	-110	75.2	171.9	-85.3	-42.5	0	0	0	110.4	Q421 A422 A426 L427	Q421-N424 CarbonylContact O-C 3.57Å; Q421-N424 WeakPolarHBondContact O-CA 2.94Å; Q421-N424 PolarHBondContact O-N 3.44Å; A422-N424 PolarHBondContact O-N 2.7Å; N424-A426 PolarHBondContact O-N 3.41Å; N424-L427 PolarHBondContact O-N 3.5Å
425	T	37.3	Very low	49.5	Very low	109 Å²	109	100.3 Å²	100.3	67%	0.669	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-12.5	-178.4	-8.9	0	0	0	0	115	L427	T425-L427 PolarHBondContact O-N 2.95Å
426	A	41.5	Very low	47.3	Very low	84 Å²	84	101 Å²	101	69%	0.694	51%	0.505	S	S	*	.	H	α-helix	trans	-70	-25.7	178.1	0	0	0	0	0	114.3	N424 S430	N424-A426 PolarHBondContact O-N 3.41Å; A426-S430 PolarHBondContact O-N 3.08Å
427	L	44.3	Very low	45.2	Very low	62 Å²	62	98.1 Å²	98.1	33%	0.325	50%	0.502	S	S	.	.	H	α-helix	trans	-79.6	-34.8	-176.2	-167.8	69.2	0	0	0	112.5	N424 T425 D429 S430 L431	N424-L427 PolarHBondContact O-N 3.5Å; T425-L427 PolarHBondContact O-N 2.95Å; L427-D429 VanDerWaalsContact C-N 3.26Å; L427-D429 PolarHBondContact O-N 2.68Å; L427-S430 PolarHBondContact O-N 2.97Å; L427-S430 PolarHBondContact O-OG 2.78Å; L427-L431 WeakPolarHBondContact O-CG 3.17Å; L427-L431 PolarHBondContact O-N 3.3Å; L427-L431 VanDerWaalsContact O-N 3.16Å
428	I	38.4	Very low	43.6	Very low	87 Å²	87	108 Å²	108	45%	0.446	54%	0.538	S	S	.	.	H	α-helix	trans	-65.9	-34.2	177.1	-62.3	175	0	0	0	110.7	L431 R432	I428-L431 PolarHBondContact O-N 3.04Å; I428-R432 PolarHBondContact O-N 2.83Å
429	D	36.8	Very low	41.9	Very low	75 Å²	75	110.2 Å²	110.2	40%	0.401	55%	0.545	S	S	.	.	H	α-helix	trans	-71.9	-31.8	177.3	-114.3	22.8	0	0	0	112.9	L427 R432 K433	L427-D429 VanDerWaalsContact C-N 3.26Å; L427-D429 PolarHBondContact O-N 2.68Å; D429-R432 PolarHBondContact O-N 3.4Å; D429-K433 WeakPolarHBondContact O-CB 2.98Å; D429-K433 WeakPolarHBondContact O-CG 3.33Å; D429-K433 PolarHBondContact O-N 2.93Å; D429-K433 IonicContact OD2-NZ 3.27Å
430	S	40.8	Very low	40.5	Very low	41 Å²	41	108.6 Å²	108.6	29%	0.287	53%	0.534	S	S	.	.	H	α-helix	trans	-69.3	-36	172.4	85.6	0	0	0	0	111.6	A426 L427 R432 K433 R434	A426-S430 PolarHBondContact O-N 3.08Å; L427-S430 PolarHBondContact O-N 2.97Å; L427-S430 PolarHBondContact O-OG 2.78Å; S430-R432 VanDerWaalsContact C-N 3.35Å; S430-K433 PolarHBondContact O-N 3.5Å; S430-R434 PolarHBondContact O-N 2.94Å
431	L	40.9	Very low	39.4	Very low	113 Å²	113	111.3 Å²	111.3	59%	0.592	54%	0.543	S	S	*	.	H	α-helix	trans	-66.9	-32.8	173.8	-66.3	172.1	0	0	0	112.4	L427 I428	L427-L431 WeakPolarHBondContact O-CG 3.17Å; L427-L431 PolarHBondContact O-N 3.3Å; L427-L431 VanDerWaalsContact O-N 3.16Å; I428-L431 PolarHBondContact O-N 3.04Å
432	R	32.1	Very low	38.6	Very low	188 Å²	188	114.1 Å²	114.1	71%	0.709	55%	0.55	S	S	*	*	H	α-helix	trans	-74.8	-39.4	172.3	-80.4	-179.2	171.6	171.4	-2.5	112.8	I428 D429 S430 R435	I428-R432 PolarHBondContact O-N 2.83Å; D429-R432 PolarHBondContact O-N 3.4Å; S430-R432 VanDerWaalsContact C-N 3.35Å; R432-R435 WeakPolarHBondContact O-CB 3.35Å
433	K	33.3	Very low	38.5	Very low	151 Å²	151	112 Å²	112	66%	0.657	53%	0.533	S	S	*	.	H	α-helix	trans	-77.4	-22.1	-177	-73.4	174.6	-177	167.3	0	114.1	D429 S430 R435	D429-K433 WeakPolarHBondContact O-CB 2.98Å; D429-K433 WeakPolarHBondContact O-CG 3.33Å; D429-K433 PolarHBondContact O-N 2.93Å; D429-K433 IonicContact OD2-NZ 3.27Å; S430-K433 PolarHBondContact O-N 3.5Å; K433-R435 PolarHBondContact O-N 3.19Å
434	R	38.3	Very low	38.6	Very low	131 Å²	131	108.9 Å²	108.9	49%	0.494	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	5.2	174	-77.7	-175.7	179.5	168.9	1.1	115	S430 H436	S430-R434 PolarHBondContact O-N 2.94Å; R434-H436 PolarHBondContact O-N 3.43Å
435	R	32.8	Very low	38.8	Very low	174 Å²	174	105.3 Å²	105.3	66%	0.657	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	17.9	174.6	-160.3	175.2	162	109	-4	114.7	R432 K433	R432-R435 WeakPolarHBondContact O-CB 3.35Å; K433-R435 PolarHBondContact O-N 3.19Å
436	H	30.1	Very low	39	Very low	148 Å²	148	102 Å²	102	69%	0.685	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	21.8	-173.2	-82.7	-29.1	0	0	0	116.4	R434	R434-H436 PolarHBondContact O-N 3.43Å
437	S	35.2	Very low	39.2	Very low	56 Å²	56	98.2 Å²	98.2	39%	0.392	44%	0.443	S	S	.	.			trans	-96	89.5	159.7	-167.5	0	0	0	0	111.1	F439	S437-F439 PolarHBondContact O-N 3.22Å
438	R	40.9	Very low	39.3	Very low	218 Å²	218	98.3 Å²	98.3	82%	0.823	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	16.6	-163.1	-78.9	179.6	-86.5	166.6	-6.5	116.5
439	F	39.4	Very low	39.6	Very low	155 Å²	155	96 Å²	96	68%	0.68	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	-3.5	-178.1	-148.2	-101.4	0	0	0	117	S437	S437-F439 PolarHBondContact O-N 3.22Å
440	L	44.2	Very low	40.1	Very low	29 Å²	29	94.3 Å²	94.3	15%	0.152	43%	0.431	C	S	.	.			trans	-126.8	2.7	-168.8	-84.3	142.5	0	0	0	117.6	Y233 P236 R442 S443 Q444	Y233-L440 WeakPolarHBondContact O-CD1 3.42Å; P236-L440 HydrophobicContact CG-CD1 4.27Å; L440-R442 PolarHBondContact O-N 3.45Å; L440-S443 WeakPolarHBondContact CD2-OG 2.94Å; L440-S443 PolarHBondContact O-N 3.08Å; L440-S443 PolarHBondContact O-OG 2.94Å; L440-Q444 PolarHBondContact O-N 2.69Å
441	K	40.7	Very low	40.5	Very low	134 Å²	134	93.9 Å²	93.9	58%	0.583	43%	0.428	S	S	*	.	H	α-helix	trans	-55.8	-20.2	163.2	-79.8	-167.4	175.7	-170.3	0	112.7	S445	K441-S445 WeakPolarHBondContact O-CB 3.36Å; K441-S445 PolarHBondContact O-N 2.9Å
442	R	37.5	Very low	41	Very low	128 Å²	128	91.2 Å²	91.2	48%	0.483	42%	0.423	S	S	.	.	H	α-helix	trans	-68.1	-28.7	173.1	-156.4	164.6	100.2	151.8	8.2	113.7	L440 M446 E622	L440-R442 PolarHBondContact O-N 3.45Å; R442-M446 HydrophobicContact CG-CE 4.23Å; R442-M446 VanDerWaalsContact O-CB 3.27Å; R442-M446 WeakPolarHBondContact O-CB 3.25Å; R442-M446 WeakPolarHBondContact O-CE 3.21Å; R442-E622 IonicContact NH1-OE2 3.06Å
443	S	41.9	Very low	41.8	Very low	9 Å²	9	83 Å²	83	6%	0.063	39%	0.393	C	S	.	.	H	α-helix	trans	-93	-39.8	176.3	78.9	0	0	0	0	112.9	L440 S445 M446 V447	L440-S443 WeakPolarHBondContact CD2-OG 2.94Å; L440-S443 PolarHBondContact O-N 3.08Å; L440-S443 PolarHBondContact O-OG 2.94Å; S443-S445 PolarHBondContact O-N 3.08Å; S443-M446 PolarHBondContact O-N 3.07Å; S443-V447 VanDerWaalsContact O-CG2 3.29Å; S443-V447 WeakPolarHBondContact O-CG2 3.49Å; S443-V447 PolarHBondContact O-N 2.87Å
444	Q	42.3	Very low	42.5	Very low	78 Å²	78	77.8 Å²	77.8	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-66.2	-41	-176.7	-72.4	178.8	-6	0	0	112.9	L440 V447 S448	L440-Q444 PolarHBondContact O-N 2.69Å; Q444-V447 PolarHBondContact O-N 2.69Å; Q444-S448 WeakPolarHBondContact O-CB 3.41Å; Q444-S448 PolarHBondContact O-N 3.26Å; Q444-S448 PolarHBondContact O-OG 3.33Å
445	S	46.2	Very low	43.2	Very low	42 Å²	42	78.2 Å²	78.2	29%	0.294	38%	0.377	S	S	.	.	H	α-helix	trans	-68	-38.1	175.8	-178.4	0	0	0	0	112.2	K441 S443 V447 S449 E478	K441-S445 WeakPolarHBondContact O-CB 3.36Å; K441-S445 PolarHBondContact O-N 2.9Å; S443-S445 PolarHBondContact O-N 3.08Å; S445-V447 VanDerWaalsContact C-N 3.28Å; S445-V447 PolarHBondContact O-N 2.73Å; S445-S449 PolarHBondContact O-OG 2.88Å; S445-E478 VanDerWaalsContact CB-OE1 3.28Å; S445-E478 WeakPolarHBondContact CB-OE1 3.49Å; S445-E478 PolarHBondContact OG-OE1 3.36Å
446	M	41	Very low	43.8	Very low	39 Å²	39	78.3 Å²	78.3	19%	0.192	38%	0.377	C	S	.	.	H	α-helix	trans	-66.2	-30.4	179.3	-167.2	-174.5	-47.7	0	0	111.9	R442 S443 L450	R442-M446 HydrophobicContact CG-CE 4.23Å; R442-M446 VanDerWaalsContact O-CB 3.27Å; R442-M446 WeakPolarHBondContact O-CB 3.25Å; R442-M446 WeakPolarHBondContact O-CE 3.21Å; S443-M446 PolarHBondContact O-N 3.07Å; M446-L450 VanDerWaalsContact O-CD1 3.25Å; M446-L450 WeakPolarHBondContact O-CD1 3.16Å; M446-L450 VanDerWaalsContact O-CG 3.25Å; M446-L450 WeakPolarHBondContact O-CG 3.2Å
447	V	45.8	Very low	44.7	Very low	4 Å²	4	72.3 Å²	72.3	2%	0.024	35%	0.353	C	S	.	.	H	α-helix	trans	-106.8	-26.9	-172.3	-169.8	0	0	0	0	114.2	K173 E269 S443 Q444 S445 S449 L450 S451	K173-V447 VanDerWaalsContact NZ-CG1 3.27Å; E269-V447 HydrophobicContact CG-CG1 4.39Å; E269-V447 WeakPolarHBondContact OE1-CB 3.22Å; E269-V447 VanDerWaalsContact OE1-CG1 3.28Å; E269-V447 WeakPolarHBondContact OE1-CG1 3.27Å; E269-V447 WeakPolarHBondContact OE2-CG1 3.41Å; S443-V447 VanDerWaalsContact O-CG2 3.29Å; S443-V447 WeakPolarHBondContact O-CG2 3.49Å; S443-V447 PolarHBondContact O-N 2.87Å; Q444-V447 PolarHBondContact O-N 2.69Å; S445-V447 VanDerWaalsContact C-N 3.28Å; S445-V447 PolarHBondContact O-N 2.73Å; V447-S449 VanDerWaalsContact C-N 3.32Å; V447-S449 PolarHBondContact O-N 3.24Å; V447-L450 CarbonylContact O-C 3.4Å; V447-L450 WeakPolarHBondContact O-CB 3.48Å; V447-L450 PolarHBondContact O-N 2.68Å; V447-S451 PolarHBondContact O-N 3.36Å
448	S	46.5	Very low	45.3	Very low	64 Å²	64	72.2 Å²	72.2	45%	0.448	35%	0.347	S	S	.	.	H	α-helix	trans	-68.2	-30.5	171.1	46.5	0	0	0	0	113	Q444 S451 A452	Q444-S448 WeakPolarHBondContact O-CB 3.41Å; Q444-S448 PolarHBondContact O-N 3.26Å; Q444-S448 PolarHBondContact O-OG 3.33Å; S448-S451 PolarHBondContact O-N 2.75Å; S448-S451 PolarHBondContact O-OG 2.9Å; S448-A452 PolarHBondContact O-N 3.29Å
449	S	45.9	Very low	45.8	Very low	39 Å²	39	65.9 Å²	65.9	27%	0.273	34%	0.337	S	S	.	.	H	α-helix	trans	-69.9	-36.9	170.1	-55.9	0	0	0	0	111.7	S445 V447 L453	S445-S449 PolarHBondContact O-OG 2.88Å; V447-S449 VanDerWaalsContact C-N 3.32Å; V447-S449 PolarHBondContact O-N 3.24Å; S449-L453 WeakPolarHBondContact O-CB 3.25Å; S449-L453 PolarHBondContact O-N 3.17Å; S449-L453 VanDerWaalsContact O-N 3.16Å
450	L	45.5	Very low	46	Very low	39 Å²	39	64.8 Å²	64.8	20%	0.204	33%	0.333	C	S	.	.	H	α-helix	trans	-65.2	-39	173.2	-72.2	169.4	0	0	0	111.6	M446 V447 R454 I471	M446-L450 VanDerWaalsContact O-CD1 3.25Å; M446-L450 WeakPolarHBondContact O-CD1 3.16Å; M446-L450 VanDerWaalsContact O-CG 3.25Å; M446-L450 WeakPolarHBondContact O-CG 3.2Å; V447-L450 CarbonylContact O-C 3.4Å; V447-L450 WeakPolarHBondContact O-CB 3.48Å; V447-L450 PolarHBondContact O-N 2.68Å; L450-R454 WeakPolarHBondContact O-CA 2.83Å; L450-R454 WeakPolarHBondContact O-CB 3.31Å; L450-R454 PolarHBondContact O-N 3.16Å; L450-I471 HydrophobicContact CD2-CB 4.18Å; L450-I471 HydrophobicContact CD2-CD1 3.79Å; L450-I471 HydrophobicContact CD2-CG1 3.62Å; L450-I471 HydrophobicContact CD2-CG2 3.55Å
451	S	50.9	Low	45.8	Very low	33 Å²	33	69.2 Å²	69.2	23%	0.231	37%	0.366	C	S	.	.	H	α-helix	trans	-69.8	-38.7	-177.9	69.2	0	0	0	0	112.8	V447 S448 R454 Q455	V447-S451 PolarHBondContact O-N 3.36Å; S448-S451 PolarHBondContact O-N 2.75Å; S448-S451 PolarHBondContact O-OG 2.9Å; S451-R454 PolarHBondContact O-N 3.03Å; S451-Q455 PolarHBondContact O-N 3.06Å
452	A	50.7	Low	46.2	Very low	57 Å²	57	65.8 Å²	65.8	47%	0.471	36%	0.358	S	S	.	.	H	α-helix	trans	-69.2	-42.8	175.2	0	0	0	0	0	112.5	S448 R454 Q455 R456	S448-A452 PolarHBondContact O-N 3.29Å; A452-R454 VanDerWaalsContact C-N 3.29Å; A452-R454 PolarHBondContact O-N 3.32Å; A452-Q455 PolarHBondContact O-N 3.1Å; A452-R456 PolarHBondContact O-N 2.79Å
453	L	48.3	Very low	46.9	Very low	15 Å²	15	62.6 Å²	62.6	8%	0.079	36%	0.356	C	S	.	.	H	α-helix	trans	-64.5	-38	174	-153.1	78.6	0	0	0	111.1	S449 R456 A457 E470 I471 V474	S449-L453 WeakPolarHBondContact O-CB 3.25Å; S449-L453 PolarHBondContact O-N 3.17Å; S449-L453 VanDerWaalsContact O-N 3.16Å; L453-R456 WeakPolarHBondContact O-CB 3.4Å; L453-R456 PolarHBondContact O-N 3.28Å; L453-A457 PolarHBondContact O-N 2.65Å; L453-E470 HydrophobicContact CD1-CG 3.97Å; L453-E470 VanDerWaalsContact CD1-OE1 3.28Å; L453-E470 WeakPolarHBondContact CD1-OE1 3.48Å; L453-E470 HydrophobicContact CD2-CB 3.98Å; L453-E470 HydrophobicContact CD2-CG 3.72Å; L453-E470 HydrophobicContact CG-CG 4.16Å; L453-I471 HydrophobicContact CD2-CG1 3.86Å; L453-V474 HydrophobicContact CD1-CG2 3.61Å; L453-V474 HydrophobicContact CD2-CG2 3.91Å; L453-V474 HydrophobicContact CG-CG2 4.32Å
454	R	48.1	Very low	47.4	Very low	42 Å²	42	65.6 Å²	65.6	16%	0.158	37%	0.371	C	S	.	.	H	α-helix	trans	-69.2	-36.3	176.5	-177.3	171.9	178.6	-148.1	-13.9	113.1	C168 D270 L450 S451 A452 R456 A457 I458	C168-R454 VanDerWaalsContact C-NH2 3.33Å; C168-R454 PolarHBondContact O-NH2 3.46Å; D270-R454 IonicContact OD2-CZ 3.55Å; D270-R454 IonicContact OD2-NH1 3.23Å; D270-R454 PolarHBondContact OD2-NH1 3.46Å; L450-R454 WeakPolarHBondContact O-CA 2.83Å; L450-R454 WeakPolarHBondContact O-CB 3.31Å; L450-R454 PolarHBondContact O-N 3.16Å; S451-R454 PolarHBondContact O-N 3.03Å; A452-R454 VanDerWaalsContact C-N 3.29Å; A452-R454 PolarHBondContact O-N 3.32Å; R454-R456 VanDerWaalsContact C-N 3.25Å; R454-R456 PolarHBondContact O-N 2.75Å; R454-A457 PolarHBondContact O-N 2.87Å; R454-I458 HydrophobicContact CG-CD1 3.78Å; R454-I458 HydrophobicContact CG-CG1 4.24Å; R454-I458 VanDerWaalsContact O-CB 3.29Å; R454-I458 WeakPolarHBondContact O-CB 3.37Å; R454-I458 WeakPolarHBondContact O-CD1 3.25Å; R454-I458 WeakPolarHBondContact O-CG1 3.35Å; R454-I458 PolarHBondContact O-N 3.16Å
455	Q	52.5	Low	48.2	Very low	140 Å²	140	64.6 Å²	64.6	65%	0.654	38%	0.376	S	S	*	.	H	α-helix	trans	-61.9	-35.5	170.2	-84.7	-176.2	-2.8	0	0	111.6	S451 A452 S459	S451-Q455 PolarHBondContact O-N 3.06Å; A452-Q455 PolarHBondContact O-N 3.1Å; Q455-S459 PolarHBondContact O-N 2.75Å
456	R	46.9	Very low	48.9	Very low	176 Å²	176	66.9 Å²	66.9	66%	0.664	39%	0.385	S	S	*	.	H	α-helix	trans	-69.2	-47.2	171.9	-79.3	-178.9	178.5	158.7	0.9	112.4	A452 L453 R454 I458 S459 Q460	A452-R456 PolarHBondContact O-N 2.79Å; L453-R456 WeakPolarHBondContact O-CB 3.4Å; L453-R456 PolarHBondContact O-N 3.28Å; R454-R456 VanDerWaalsContact C-N 3.25Å; R454-R456 PolarHBondContact O-N 2.75Å; R456-I458 VanDerWaalsContact C-N 3.35Å; R456-I458 PolarHBondContact O-N 3.35Å; R456-S459 PolarHBondContact O-N 3.03Å; R456-S459 PolarHBondContact O-OG 3.01Å; R456-Q460 PolarHBondContact O-N 3.32Å; R456-Q460 VanDerWaalsContact O-N 3.13Å
457	A	48.9	Very low	49.8	Very low	21 Å²	21	66.5 Å²	66.5	17%	0.174	38%	0.384	C	S	.	.	H	α-helix	trans	-65.2	-32.9	178.4	0	0	0	0	0	113.5	L453 R454 S459 Q460 L467	L453-A457 PolarHBondContact O-N 2.65Å; R454-A457 PolarHBondContact O-N 2.87Å; A457-S459 PolarHBondContact O-N 3.12Å; A457-Q460 CarbonylContact O-C 3.58Å; A457-Q460 PolarHBondContact O-N 2.94Å; A457-L467 HydrophobicContact CB-CD1 3.59Å; A457-L467 HydrophobicContact CB-CD2 4.42Å
458	I	48.2	Very low	50.7	Low	54 Å²	54	70.5 Å²	70.5	28%	0.277	40%	0.402	S	S	.	.	H	α-helix	trans	-66.1	-29.7	172.3	-70.9	166.6	0	0	0	111.1	F140 K143 R454 R456	F140-I458 HydrophobicContact CE1-CG1 3.99Å; F140-I458 HydrophobicContact CZ-CD1 4.02Å; F140-I458 HydrophobicContact CZ-CG1 3.76Å; K143-I458 HydrophobicContact CD-CG2 4Å; K143-I458 HydrophobicContact CG-CG2 4.3Å; R454-I458 HydrophobicContact CG-CD1 3.78Å; R454-I458 HydrophobicContact CG-CG1 4.24Å; R454-I458 VanDerWaalsContact O-CB 3.29Å; R454-I458 WeakPolarHBondContact O-CB 3.37Å; R454-I458 WeakPolarHBondContact O-CD1 3.25Å; R454-I458 WeakPolarHBondContact O-CG1 3.35Å; R454-I458 PolarHBondContact O-N 3.16Å; R456-I458 VanDerWaalsContact C-N 3.35Å; R456-I458 PolarHBondContact O-N 3.35Å
459	S	51.4	Low	51.9	Low	86 Å²	86	71.3 Å²	71.3	60%	0.601	40%	0.401	S	S	*	.	H	α-helix	trans	-83.8	-20.8	179	73.2	0	0	0	0	114.2	Q455 R456 A457	Q455-S459 PolarHBondContact O-N 2.75Å; R456-S459 PolarHBondContact O-N 3.03Å; R456-S459 PolarHBondContact O-OG 3.01Å; A457-S459 PolarHBondContact O-N 3.12Å
460	Q	43.1	Very low	52.9	Low	131 Å²	131	73.2 Å²	73.2	61%	0.612	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.2	105.4	-178.3	-64.3	-178.3	16.2	0	0	108.5	R456 A457 S462	R456-Q460 PolarHBondContact O-N 3.32Å; R456-Q460 VanDerWaalsContact O-N 3.13Å; A457-Q460 CarbonylContact O-C 3.58Å; A457-Q460 PolarHBondContact O-N 2.94Å; Q460-S462 PolarHBondContact O-N 2.88Å; Q460-S462 PolarHBondContact O-OG 3.16Å
461	C	40.4	Very low	53.9	Low	123 Å²	123	73 Å²	73	83%	0.831	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	76.4	176.1	-78.1	0	0	0	0	113
462	S	48.5	Very low	55.2	Low	61 Å²	61	73 Å²	73	43%	0.427	40%	0.4	S	S	.	.			trans	-102.4	143	175.9	-42.5	0	0	0	0	107.4	Q460	Q460-S462 PolarHBondContact O-N 2.88Å; Q460-S462 PolarHBondContact O-OG 3.16Å
463	S	52.4	Low	56.6	Low	61 Å²	61	74.6 Å²	74.6	43%	0.427	40%	0.401	S	S	.	.			trans	-64.6	157.5	-175.1	74.1	0	0	0	0	111.3	A465 D466 L467	S463-A465 PolarHBondContact O-N 2.85Å; S463-A465 VanDerWaalsContact O-N 3.15Å; S463-D466 WeakPolarHBondContact CB-OD2 3.22Å; S463-D466 PolarHBondContact N-OD2 2.89Å; S463-D466 VanDerWaalsContact N-OD2 3.1Å; S463-D466 PolarHBondContact O-N 3.16Å; S463-D466 PolarHBondContact OG-N 3.08Å; S463-D466 PolarHBondContact OG-OD2 3.42Å; S463-L467 PolarHBondContact O-N 3.12Å; S463-L467 VanDerWaalsContact O-N 3.08Å
464	L	51.5	Low	57.8	Low	72 Å²	72	75.9 Å²	75.9	38%	0.377	41%	0.409	S	S	.	.	H	α-helix	trans	-55.6	-32.5	177.7	-170.3	74	0	0	0	112.1	L467 E468	L464-L467 PolarHBondContact O-N 3.1Å; L464-E468 WeakPolarHBondContact O-CB 3.46Å; L464-E468 WeakPolarHBondContact O-CG 3.43Å; L464-E468 PolarHBondContact O-N 2.83Å
465	A	59.8	Low	59.2	Low	58 Å²	58	75.3 Å²	75.3	48%	0.479	41%	0.408	S	S	.	.	H	α-helix	trans	-65.3	-44.7	176.7	0	0	0	0	0	112	S463 L467 E468 D469	S463-A465 PolarHBondContact O-N 2.85Å; S463-A465 VanDerWaalsContact O-N 3.15Å; A465-L467 VanDerWaalsContact C-N 3.3Å; A465-L467 PolarHBondContact O-N 2.96Å; A465-E468 PolarHBondContact O-N 2.85Å; A465-D469 PolarHBondContact O-N 2.96Å
466	D	61.2	Low	60.7	Low	90 Å²	90	70 Å²	70	48%	0.481	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-41.4	176.6	-55	-47.5	0	0	0	110.6	S463 D469 E470	S463-D466 WeakPolarHBondContact CB-OD2 3.22Å; S463-D466 PolarHBondContact N-OD2 2.89Å; S463-D466 VanDerWaalsContact N-OD2 3.1Å; S463-D466 PolarHBondContact O-N 3.16Å; S463-D466 PolarHBondContact OG-N 3.08Å; S463-D466 PolarHBondContact OG-OD2 3.42Å; D466-D469 PolarHBondContact O-N 2.98Å; D466-E470 WeakPolarHBondContact O-CB 3.41Å; D466-E470 PolarHBondContact O-N 3.36Å
467	L	58.7	Low	62.4	Low	31 Å²	31	66.4 Å²	66.4	16%	0.162	38%	0.381	C	S	.	.	H	α-helix	trans	-64.6	-42.1	176.6	-178.2	60.1	0	0	0	111.8	A457 S463 L464 A465 D469 E470 I471	A457-L467 HydrophobicContact CB-CD1 3.59Å; A457-L467 HydrophobicContact CB-CD2 4.42Å; S463-L467 PolarHBondContact O-N 3.12Å; S463-L467 VanDerWaalsContact O-N 3.08Å; L464-L467 PolarHBondContact O-N 3.1Å; A465-L467 VanDerWaalsContact C-N 3.3Å; A465-L467 PolarHBondContact O-N 2.96Å; L467-D469 VanDerWaalsContact C-N 3.34Å; L467-D469 PolarHBondContact O-N 3.32Å; L467-E470 PolarHBondContact O-N 2.86Å; L467-I471 HydrophobicContact CD1-CD1 4.05Å; L467-I471 HydrophobicContact CD1-CG1 4.17Å; L467-I471 HydrophobicContact CD2-CD1 4.5Å; L467-I471 HydrophobicContact CG-CD1 3.8Å; L467-I471 HydrophobicContact CG-CG1 4.37Å; L467-I471 VanDerWaalsContact O-CB 3.31Å; L467-I471 WeakPolarHBondContact O-CB 3.41Å; L467-I471 WeakPolarHBondContact O-CD1 3.4Å; L467-I471 WeakPolarHBondContact O-CG1 3.45Å; L467-I471 PolarHBondContact O-N 3.32Å
468	E	65.5	Low	63.9	Low	88 Å²	88	66.2 Å²	66.2	41%	0.411	38%	0.376	S	S	.	.	H	α-helix	trans	-60.9	-43.1	176.4	-82	-176.1	-170.4	0	0	112	L464 A465 K472	L464-E468 WeakPolarHBondContact O-CB 3.46Å; L464-E468 WeakPolarHBondContact O-CG 3.43Å; L464-E468 PolarHBondContact O-N 2.83Å; A465-E468 PolarHBondContact O-N 2.85Å; E468-K472 WeakPolarHBondContact O-CD 3.07Å; E468-K472 WeakPolarHBondContact O-CE 3.36Å; E468-K472 WeakPolarHBondContact O-CG 3.38Å; E468-K472 PolarHBondContact O-N 3.03Å; E468-K472 IonicContact OE2-NZ 2.72Å
469	D	71.1	Confident	65.8	Low	81 Å²	81	64 Å²	64	43%	0.433	37%	0.365	S	S	.	.	H	α-helix	trans	-71	-38	179.2	-72.3	-16.2	0	0	0	112	A465 D466 L467 K472 N473	A465-D469 PolarHBondContact O-N 2.96Å; D466-D469 PolarHBondContact O-N 2.98Å; L467-D469 VanDerWaalsContact C-N 3.34Å; L467-D469 PolarHBondContact O-N 3.32Å; D469-K472 PolarHBondContact O-N 3.19Å; D469-K472 IonicContact OD1-NZ 3.78Å; D469-K472 PolarHBondContact OD1-NZ 3.22Å; D469-N473 VanDerWaalsContact O-CG 3.23Å; D469-N473 PolarHBondContact O-N 2.9Å; D469-N473 PolarHBondContact O-ND2 3.37Å
470	E	67.4	Low	67.6	Low	78 Å²	78	60 Å²	60	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-65.1	-42.8	174	-160.5	-174.5	-178.5	0	0	111.5	L453 D466 L467 K472 N473 V474	L453-E470 HydrophobicContact CD1-CG 3.97Å; L453-E470 VanDerWaalsContact CD1-OE1 3.28Å; L453-E470 WeakPolarHBondContact CD1-OE1 3.48Å; L453-E470 HydrophobicContact CD2-CB 3.98Å; L453-E470 HydrophobicContact CD2-CG 3.72Å; L453-E470 HydrophobicContact CG-CG 4.16Å; D466-E470 WeakPolarHBondContact O-CB 3.41Å; D466-E470 PolarHBondContact O-N 3.36Å; L467-E470 PolarHBondContact O-N 2.86Å; E470-K472 VanDerWaalsContact C-N 3.27Å; E470-K472 PolarHBondContact O-N 3.02Å; E470-N473 PolarHBondContact O-N 3.4Å; E470-V474 WeakPolarHBondContact O-CG2 3.37Å; E470-V474 PolarHBondContact O-N 2.99Å
471	I	67.2	Low	69.7	Low	34 Å²	34	58.1 Å²	58.1	17%	0.174	33%	0.33	C	S	.	.	H	α-helix	trans	-57.8	-42.8	172.6	-73.1	169.7	0	0	0	110.6	M176 L450 L453 L467 V474 K475	M176-I471 HydrophobicContact CE-CD1 3.53Å; M176-I471 HydrophobicContact SD-CD1 3.9Å; L450-I471 HydrophobicContact CD2-CB 4.18Å; L450-I471 HydrophobicContact CD2-CD1 3.79Å; L450-I471 HydrophobicContact CD2-CG1 3.62Å; L450-I471 HydrophobicContact CD2-CG2 3.55Å; L453-I471 HydrophobicContact CD2-CG1 3.86Å; L467-I471 HydrophobicContact CD1-CD1 4.05Å; L467-I471 HydrophobicContact CD1-CG1 4.17Å; L467-I471 HydrophobicContact CD2-CD1 4.5Å; L467-I471 HydrophobicContact CG-CD1 3.8Å; L467-I471 HydrophobicContact CG-CG1 4.37Å; L467-I471 VanDerWaalsContact O-CB 3.31Å; L467-I471 WeakPolarHBondContact O-CB 3.41Å; L467-I471 WeakPolarHBondContact O-CD1 3.4Å; L467-I471 WeakPolarHBondContact O-CG1 3.45Å; L467-I471 PolarHBondContact O-N 3.32Å; I471-V474 PolarHBondContact O-N 3.38Å; I471-K475 WeakPolarHBondContact O-CB 3.46Å; I471-K475 PolarHBondContact O-N 3.16Å
472	K	78.2	Confident	71.9	Confident	35 Å²	35	55 Å²	55	15%	0.152	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-46.1	178.1	-70.2	162.1	-152.7	155.6	0	111.6	E468 D469 E470 V474 K475 Q476 Y623 W737	E468-K472 WeakPolarHBondContact O-CD 3.07Å; E468-K472 WeakPolarHBondContact O-CE 3.36Å; E468-K472 WeakPolarHBondContact O-CG 3.38Å; E468-K472 PolarHBondContact O-N 3.03Å; E468-K472 IonicContact OE2-NZ 2.72Å; D469-K472 PolarHBondContact O-N 3.19Å; D469-K472 IonicContact OD1-NZ 3.78Å; D469-K472 PolarHBondContact OD1-NZ 3.22Å; E470-K472 VanDerWaalsContact C-N 3.27Å; E470-K472 PolarHBondContact O-N 3.02Å; K472-V474 PolarHBondContact O-N 3.37Å; K472-K475 PolarHBondContact O-N 3.06Å; K472-Q476 WeakPolarHBondContact O-CG 3.38Å; K472-Q476 PolarHBondContact O-N 3.37Å; K472-Y623 WeakPolarHBondContact CA-OH 3.47Å; K472-Y623 WeakPolarHBondContact CB-OH 3.45Å; K472-Y623 PolarHBondContact O-OH 3.12Å; K472-W737 HydrophobicContact CD-CB 4.33Å; K472-W737 HydrophobicContact CD-CD2 3.98Å; K472-W737 HydrophobicContact CD-CE3 4.37Å; K472-W737 HydrophobicContact CD-CG 3.94Å; K472-W737 HydrophobicContact CG-CD2 4.49Å; K472-W737 HydrophobicContact CG-CE3 4.4Å
473	N	79.5	Confident	74.1	Confident	90 Å²	90	52.1 Å²	52.1	48%	0.481	28%	0.283	S	S	.	.	H	α-helix	trans	-65	-38.5	179.4	-67.1	-23.6	0	0	0	113	D469 E470 Q476 T477	D469-N473 VanDerWaalsContact O-CG 3.23Å; D469-N473 PolarHBondContact O-N 2.9Å; D469-N473 PolarHBondContact O-ND2 3.37Å; E470-N473 PolarHBondContact O-N 3.4Å; N473-Q476 WeakPolarHBondContact O-CB 3.43Å; N473-Q476 PolarHBondContact O-N 3.2Å; N473-T477 PolarHBondContact O-N 3.29Å; N473-T477 PolarHBondContact O-OG1 3.24Å
474	V	74.3	Confident	76	Confident	42 Å²	42	53 Å²	53	26%	0.255	28%	0.277	S	S	.	.	H	α-helix	trans	-64	-45.3	173.2	170	0	0	0	0	110.1	L453 E470 I471 K472 Q476 T477 E478	L453-V474 HydrophobicContact CD1-CG2 3.61Å; L453-V474 HydrophobicContact CD2-CG2 3.91Å; L453-V474 HydrophobicContact CG-CG2 4.32Å; E470-V474 WeakPolarHBondContact O-CG2 3.37Å; E470-V474 PolarHBondContact O-N 2.99Å; I471-V474 PolarHBondContact O-N 3.38Å; K472-V474 PolarHBondContact O-N 3.37Å; V474-Q476 VanDerWaalsContact C-N 3.28Å; V474-Q476 PolarHBondContact O-N 3.39Å; V474-T477 WeakPolarHBondContact O-CB 3.4Å; V474-T477 PolarHBondContact O-N 2.84Å; V474-T477 VanDerWaalsContact O-N 3.14Å; V474-E478 PolarHBondContact O-N 3.02Å
475	K	76.2	Confident	77.9	Confident	30 Å²	30	53.8 Å²	53.8	13%	0.13	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-38.2	179.3	-172.2	55.8	178	178	0	111.8	I471 K472 E478 L479 Y623	I471-K475 WeakPolarHBondContact O-CB 3.46Å; I471-K475 PolarHBondContact O-N 3.16Å; K472-K475 PolarHBondContact O-N 3.06Å; K475-E478 WeakPolarHBondContact CD-OE2 3.38Å; K475-E478 VanDerWaalsContact NZ-CD 3.35Å; K475-E478 IonicContact NZ-OE1 3.07Å; K475-E478 PolarHBondContact NZ-OE1 2.86Å; K475-E478 IonicContact NZ-OE2 3.39Å; K475-E478 PolarHBondContact NZ-OE2 3.35Å; K475-E478 PolarHBondContact O-N 3.4Å; K475-L479 HydrophobicContact CG-CD1 4.42Å; K475-L479 VanDerWaalsContact O-CG 3.28Å; K475-L479 WeakPolarHBondContact O-CG 3.36Å; K475-L479 PolarHBondContact O-N 2.96Å; K475-L479 VanDerWaalsContact O-N 3.08Å; K475-Y623 HydrophobicContact CB-CE1 4.4Å; K475-Y623 HydrophobicContact CB-CE2 4.04Å; K475-Y623 HydrophobicContact CG-CD2 3.95Å; K475-Y623 HydrophobicContact CG-CE1 4.34Å; K475-Y623 HydrophobicContact CG-CE2 3.42Å; K475-Y623 VanDerWaalsContact CG-CE2 3.42Å
476	Q	84.2	Confident	79.4	Confident	29 Å²	29	51.1 Å²	51.1	14%	0.136	26%	0.257	C	S	.	.	H	α-helix	trans	-56.9	-52.2	171.3	-77	-173.1	-7.8	0	0	111.5	K472 N473 V474 E478 L479 V480 Y623 W737 F739	K472-Q476 WeakPolarHBondContact O-CG 3.38Å; K472-Q476 PolarHBondContact O-N 3.37Å; N473-Q476 WeakPolarHBondContact O-CB 3.43Å; N473-Q476 PolarHBondContact O-N 3.2Å; V474-Q476 VanDerWaalsContact C-N 3.28Å; V474-Q476 PolarHBondContact O-N 3.39Å; Q476-E478 VanDerWaalsContact C-N 3.3Å; Q476-E478 PolarHBondContact O-N 3.4Å; Q476-L479 PolarHBondContact O-N 2.99Å; Q476-L479 VanDerWaalsContact O-N 3.15Å; Q476-V480 PolarHBondContact O-N 3.37Å; Q476-V480 VanDerWaalsContact O-N 3.08Å; Q476-Y623 HydrophobicContact CG-CD1 4.18Å; Q476-Y623 HydrophobicContact CG-CE1 3.7Å; Q476-W737 PolarHBondContact NE2-O 3.32Å; Q476-F739 VanDerWaalsContact CA-CE2 3.49Å; Q476-F739 VanDerWaalsContact CA-CZ 3.43Å; Q476-F739 HydrophobicContact CB-CE1 4.02Å; Q476-F739 HydrophobicContact CB-CE2 3.65Å; Q476-F739 HydrophobicContact CB-CZ 3.28Å; Q476-F739 HydrophobicContact CG-CD2 4.14Å; Q476-F739 HydrophobicContact CG-CE1 4.16Å; Q476-F739 HydrophobicContact CG-CE2 3.62Å; Q476-F739 HydrophobicContact CG-CZ 3.62Å; Q476-F739 VanDerWaalsContact O-CZ 3.24Å; Q476-F739 WeakPolarHBondContact O-CZ 3.39Å
477	T	83.5	Confident	81.1	Confident	99 Å²	99	46.9 Å²	46.9	61%	0.607	23%	0.234	S	C	*	.	H	α-helix	trans	-57.6	-42.2	179.5	-54.8	0	0	0	0	112.1	N473 V474 V480 L481	N473-T477 PolarHBondContact O-N 3.29Å; N473-T477 PolarHBondContact O-OG1 3.24Å; V474-T477 WeakPolarHBondContact O-CB 3.4Å; V474-T477 PolarHBondContact O-N 2.84Å; V474-T477 VanDerWaalsContact O-N 3.14Å; T477-V480 PolarHBondContact O-N 3.28Å; T477-L481 PolarHBondContact O-N 3.25Å
478	E	79.6	Confident	82.8	Confident	18 Å²	18	49.7 Å²	49.7	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-44.9	176.9	-171.7	-161.5	162.4	0	0	112.1	S445 V474 K475 Q476 V480 L481 Q482	S445-E478 VanDerWaalsContact CB-OE1 3.28Å; S445-E478 WeakPolarHBondContact CB-OE1 3.49Å; S445-E478 PolarHBondContact OG-OE1 3.36Å; V474-E478 PolarHBondContact O-N 3.02Å; K475-E478 WeakPolarHBondContact CD-OE2 3.38Å; K475-E478 VanDerWaalsContact NZ-CD 3.35Å; K475-E478 IonicContact NZ-OE1 3.07Å; K475-E478 PolarHBondContact NZ-OE1 2.86Å; K475-E478 IonicContact NZ-OE2 3.39Å; K475-E478 PolarHBondContact NZ-OE2 3.35Å; K475-E478 PolarHBondContact O-N 3.4Å; Q476-E478 VanDerWaalsContact C-N 3.3Å; Q476-E478 PolarHBondContact O-N 3.4Å; E478-V480 VanDerWaalsContact C-N 3.34Å; E478-V480 PolarHBondContact O-N 3.06Å; E478-L481 PolarHBondContact O-N 3.08Å; E478-Q482 WeakPolarHBondContact O-CG 3.38Å; E478-Q482 PolarHBondContact O-N 3.43Å; E478-Q482 PolarHBondContact OE1-NE2 3.22Å
479	L	88.2	Confident	84	Confident	6 Å²	6	48.2 Å²	48.2	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-64.4	-38.8	179.9	-69.9	172.9	0	0	0	111.9	K475 Q476 Q482 L483 I620 Y623 F739	K475-L479 HydrophobicContact CG-CD1 4.42Å; K475-L479 VanDerWaalsContact O-CG 3.28Å; K475-L479 WeakPolarHBondContact O-CG 3.36Å; K475-L479 PolarHBondContact O-N 2.96Å; K475-L479 VanDerWaalsContact O-N 3.08Å; Q476-L479 PolarHBondContact O-N 2.99Å; Q476-L479 VanDerWaalsContact O-N 3.15Å; L479-Q482 PolarHBondContact O-N 2.95Å; L479-L483 PolarHBondContact O-N 3.44Å; L479-I620 HydrophobicContact CB-CG1 4.17Å; L479-Y623 VanDerWaalsContact CD1-CB 3.49Å; L479-Y623 HydrophobicContact CD1-CD1 3.85Å; L479-Y623 HydrophobicContact CD1-CD2 4.14Å; L479-Y623 HydrophobicContact CD1-CG 3.54Å; L479-F739 HydrophobicContact CB-CE2 4.19Å; L479-F739 HydrophobicContact CD1-CE2 4.28Å
480	V	89.7	Confident	85.1	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.024	22%	0.221	C	C	.	.	H	α-helix	trans	-67.7	-39.9	174.9	175.9	0	0	0	0	111.2	Q476 T477 E478 Q482 L483 R484 F739 Q747 V748 E751	Q476-V480 PolarHBondContact O-N 3.37Å; Q476-V480 VanDerWaalsContact O-N 3.08Å; T477-V480 PolarHBondContact O-N 3.28Å; E478-V480 VanDerWaalsContact C-N 3.34Å; E478-V480 PolarHBondContact O-N 3.06Å; V480-Q482 PolarHBondContact O-N 3.08Å; V480-L483 WeakPolarHBondContact O-CB 3.49Å; V480-L483 PolarHBondContact O-N 2.87Å; V480-R484 WeakPolarHBondContact O-CB 3.43Å; V480-R484 PolarHBondContact O-N 3.5Å; V480-F739 HydrophobicContact CG2-CE1 3.82Å; V480-F739 HydrophobicContact CG2-CE2 4.29Å; V480-F739 HydrophobicContact CG2-CZ 3.44Å; V480-F739 VanDerWaalsContact CG2-CZ 3.44Å; V480-Q747 HydrophobicContact CG1-CG 4.05Å; V480-V748 HydrophobicContact CG2-CG2 4.15Å; V480-E751 HydrophobicContact CG1-CG 4.34Å
481	L	87.4	Confident	86.3	Confident	90 Å²	90	40.6 Å²	40.6	47%	0.471	20%	0.203	S	C	.	.	H	α-helix	trans	-62.9	-42.3	175.5	-173.4	66.4	0	0	0	111.6	T477 E478 L483 R484 E485	T477-L481 PolarHBondContact O-N 3.25Å; E478-L481 PolarHBondContact O-N 3.08Å; L481-L483 VanDerWaalsContact C-N 3.33Å; L481-L483 PolarHBondContact O-N 2.93Å; L481-R484 PolarHBondContact O-N 2.83Å; L481-E485 WeakPolarHBondContact O-CG 3.47Å; L481-E485 PolarHBondContact O-N 2.96Å
482	Q	85.4	Confident	87.5	Confident	58 Å²	58	44.4 Å²	44.4	27%	0.271	22%	0.219	S	C	.	.	H	α-helix	trans	-61.9	-40.3	175.1	-73.5	175.6	12.6	0	0	112.3	E478 L479 V480 A486	E478-Q482 WeakPolarHBondContact O-CG 3.38Å; E478-Q482 PolarHBondContact O-N 3.43Å; E478-Q482 PolarHBondContact OE1-NE2 3.22Å; L479-Q482 PolarHBondContact O-N 2.95Å; V480-Q482 PolarHBondContact O-N 3.08Å; Q482-A486 PolarHBondContact O-N 3.05Å; Q482-A486 VanDerWaalsContact O-N 3.15Å
483	L	94.8	Very high	88.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-50.9	173.1	175.7	65.6	0	0	0	110.9	L479 V480 L481 E485 A486 V487 F613 V617 I620 V748 E751 L752	L479-L483 PolarHBondContact O-N 3.44Å; V480-L483 WeakPolarHBondContact O-CB 3.49Å; V480-L483 PolarHBondContact O-N 2.87Å; L481-L483 VanDerWaalsContact C-N 3.33Å; L481-L483 PolarHBondContact O-N 2.93Å; L483-E485 VanDerWaalsContact C-N 3.33Å; L483-E485 PolarHBondContact O-N 3.48Å; L483-A486 WeakPolarHBondContact O-CA 3.2Å; L483-A486 WeakPolarHBondContact O-CB 3.49Å; L483-A486 PolarHBondContact O-N 2.85Å; L483-V487 HydrophobicContact CD1-CG2 4.09Å; L483-V487 HydrophobicContact CG-CG2 4.25Å; L483-V487 WeakPolarHBondContact O-CG2 3.46Å; L483-V487 PolarHBondContact O-N 3.25Å; L483-F613 HydrophobicContact CD1-CD2 4.19Å; L483-F613 HydrophobicContact CD1-CE2 3.76Å; L483-V617 HydrophobicContact CD1-CG2 3.83Å; L483-I620 HydrophobicContact CB-CD1 3.97Å; L483-I620 HydrophobicContact CD2-CD1 3.63Å; L483-I620 HydrophobicContact CG-CD1 4.27Å; L483-V748 HydrophobicContact CD2-CB 4.44Å; L483-V748 HydrophobicContact CD2-CG1 3.77Å; L483-E751 HydrophobicContact CD2-CB 3.81Å; L483-E751 HydrophobicContact CD2-CG 4.44Å; L483-E751 HydrophobicContact CG-CB 4.26Å; L483-L752 HydrophobicContact CD1-CD2 3.99Å; L483-L752 HydrophobicContact CD2-CD2 4.39Å; L483-L752 HydrophobicContact CD2-CG 4.39Å
484	R	92.8	Very high	88.5	Confident	79 Å²	79	41.5 Å²	41.5	30%	0.298	20%	0.203	S	C	.	.	H	α-helix	trans	-56	-46.3	179.1	-177.7	-177.7	-64.3	177.6	0.2	111.8	V480 L481 A486 V487 Q488 Y511 E751	V480-R484 WeakPolarHBondContact O-CB 3.43Å; V480-R484 PolarHBondContact O-N 3.5Å; L481-R484 PolarHBondContact O-N 2.83Å; R484-A486 VanDerWaalsContact C-N 3.27Å; R484-A486 PolarHBondContact O-N 3.07Å; R484-V487 PolarHBondContact O-N 3.38Å; R484-Q488 HydrophobicContact CG-CG 4.3Å; R484-Q488 WeakPolarHBondContact O-CB 3.28Å; R484-Q488 VanDerWaalsContact O-CG 3.3Å; R484-Q488 WeakPolarHBondContact O-CG 3.49Å; R484-Q488 PolarHBondContact O-N 3.34Å; R484-Y511 PolarHBondContact NH2-OH 2.89Å; R484-E751 WeakPolarHBondContact CG-OE2 3.27Å; R484-E751 IonicContact CZ-OE1 3.68Å; R484-E751 VanDerWaalsContact CZ-OE1 3.23Å; R484-E751 IonicContact NE-OE1 2.83Å; R484-E751 PolarHBondContact NE-OE1 3.19Å; R484-E751 IonicContact NE-OE2 3.49Å; R484-E751 IonicContact NH2-OE1 2.85Å; R484-E751 PolarHBondContact NH2-OE1 2.92Å
485	E	90.6	Very high	89.2	Confident	90 Å²	90	41.7 Å²	41.7	42%	0.421	20%	0.201	S	C	.	.	H	α-helix	trans	-60.7	-36.7	176.2	-75.6	-173.9	-175.8	0	0	112.8	L481 L483 L489 R612	L481-E485 WeakPolarHBondContact O-CG 3.47Å; L481-E485 PolarHBondContact O-N 2.96Å; L483-E485 VanDerWaalsContact C-N 3.33Å; L483-E485 PolarHBondContact O-N 3.48Å; E485-L489 WeakPolarHBondContact O-CB 3.46Å; E485-L489 PolarHBondContact O-N 2.76Å; E485-L489 VanDerWaalsContact O-N 3.12Å; E485-R612 IonicContact OE2-NH2 3.18Å; E485-R612 PolarHBondContact OE2-NH2 3.07Å; E485-R612 VanDerWaalsContact OE2-NH2 3.15Å
486	A	92.9	Very high	89.8	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-71.8	-42.1	177.3	0	0	0	0	0	111.7	Q482 L483 R484 L489 I490 R612 F613 A616	Q482-A486 PolarHBondContact O-N 3.05Å; Q482-A486 VanDerWaalsContact O-N 3.15Å; L483-A486 WeakPolarHBondContact O-CA 3.2Å; L483-A486 WeakPolarHBondContact O-CB 3.49Å; L483-A486 PolarHBondContact O-N 2.85Å; R484-A486 VanDerWaalsContact C-N 3.27Å; R484-A486 PolarHBondContact O-N 3.07Å; A486-L489 PolarHBondContact O-N 3.16Å; A486-I490 WeakPolarHBondContact O-CG1 3.39Å; A486-I490 PolarHBondContact O-N 3.03Å; A486-I490 VanDerWaalsContact O-N 3.12Å; A486-R612 HydrophobicContact CB-CG 4.23Å; A486-F613 HydrophobicContact CB-CB 4.21Å; A486-F613 HydrophobicContact CB-CD2 4.15Å; A486-A616 HydrophobicContact CB-CB 4.32Å
487	V	96.4	Very high	89.7	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-60	-50.5	174.3	167	0	0	0	0	110.6	L483 R484 L489 I490 A491 F613 V754 L755	L483-V487 HydrophobicContact CD1-CG2 4.09Å; L483-V487 HydrophobicContact CG-CG2 4.25Å; L483-V487 WeakPolarHBondContact O-CG2 3.46Å; L483-V487 PolarHBondContact O-N 3.25Å; R484-V487 PolarHBondContact O-N 3.38Å; V487-L489 VanDerWaalsContact C-N 3.3Å; V487-L489 PolarHBondContact O-N 2.87Å; V487-I490 PolarHBondContact O-N 3.19Å; V487-I490 VanDerWaalsContact O-N 3.17Å; V487-A491 WeakPolarHBondContact O-CB 3.47Å; V487-A491 PolarHBondContact O-N 3.35Å; V487-F613 HydrophobicContact CG2-CD2 4.29Å; V487-F613 HydrophobicContact CG2-CE2 3.81Å; V487-V754 HydrophobicContact CG1-CB 3.83Å; V487-V754 HydrophobicContact CG1-CG1 3.87Å; V487-L755 HydrophobicContact CG1-CD2 3.95Å; V487-L755 HydrophobicContact CG1-CG 4.06Å; V487-L755 HydrophobicContact CG2-CD1 4.16Å; V487-L755 HydrophobicContact CG2-CG 4.29Å
488	Q	93.4	Very high	89.6	Confident	90 Å²	90	46.5 Å²	46.5	42%	0.421	22%	0.222	S	C	.	.	H	α-helix	trans	-61.9	-37.1	179.3	-74.2	180	-15.8	0	0	112.5	R484 K492	R484-Q488 HydrophobicContact CG-CG 4.3Å; R484-Q488 WeakPolarHBondContact O-CB 3.28Å; R484-Q488 VanDerWaalsContact O-CG 3.3Å; R484-Q488 WeakPolarHBondContact O-CG 3.49Å; R484-Q488 PolarHBondContact O-N 3.34Å; Q488-K492 WeakPolarHBondContact O-CB 3.43Å; Q488-K492 PolarHBondContact O-N 2.83Å
489	L	92.3	Very high	89.7	Confident	57 Å²	57	48.8 Å²	48.8	30%	0.298	24%	0.244	S	C	.	.	H	α-helix	trans	-62.9	-46.3	174.8	177.9	66.4	0	0	0	111.5	E485 A486 V487 Q493 V608	E485-L489 WeakPolarHBondContact O-CB 3.46Å; E485-L489 PolarHBondContact O-N 2.76Å; E485-L489 VanDerWaalsContact O-N 3.12Å; A486-L489 PolarHBondContact O-N 3.16Å; V487-L489 VanDerWaalsContact C-N 3.3Å; V487-L489 PolarHBondContact O-N 2.87Å; L489-Q493 WeakPolarHBondContact O-CB 3.34Å; L489-Q493 PolarHBondContact O-N 3.43Å; L489-V608 HydrophobicContact CD2-CG1 3.64Å; L489-V608 HydrophobicContact CD2-CG2 4.4Å; L489-V608 HydrophobicContact CG-CG1 4.06Å
490	I	93.4	Very high	89.3	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-50.3	178.6	-70.6	168	0	0	0	110.2	A486 V487 K492 Q493 M494 M605 V608 V609 F613 L755 F760	A486-I490 WeakPolarHBondContact O-CG1 3.39Å; A486-I490 PolarHBondContact O-N 3.03Å; A486-I490 VanDerWaalsContact O-N 3.12Å; V487-I490 PolarHBondContact O-N 3.19Å; V487-I490 VanDerWaalsContact O-N 3.17Å; I490-K492 VanDerWaalsContact C-N 3.33Å; I490-K492 PolarHBondContact O-N 3.25Å; I490-Q493 PolarHBondContact O-N 3.04Å; I490-Q493 VanDerWaalsContact O-N 3.15Å; I490-M494 HydrophobicContact CG2-CG 4.24Å; I490-M494 WeakPolarHBondContact O-CG 3.45Å; I490-M494 PolarHBondContact O-N 3.01Å; I490-M605 HydrophobicContact CG2-SD 4.18Å; I490-V608 HydrophobicContact CG1-CG1 3.81Å; I490-V609 HydrophobicContact CD1-CG2 3.86Å; I490-V609 HydrophobicContact CG1-CG2 4.3Å; I490-F613 HydrophobicContact CD1-CB 3.46Å; I490-F613 VanDerWaalsContact CD1-CB 3.46Å; I490-F613 HydrophobicContact CD1-CD1 4.19Å; I490-F613 HydrophobicContact CD1-CD2 3.93Å; I490-F613 HydrophobicContact CD1-CG 3.61Å; I490-L755 HydrophobicContact CB-CD2 4.04Å; I490-L755 HydrophobicContact CD1-CD1 4.31Å; I490-L755 HydrophobicContact CG2-CD2 3.75Å; I490-F760 HydrophobicContact CG2-CE1 3.58Å; I490-F760 HydrophobicContact CG2-CZ 3.63Å
491	A	93.4	Very high	88.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.1	-47.3	-179.4	0	0	0	0	0	111.3	V487 Q493 M494 M495 M507 F758	V487-A491 WeakPolarHBondContact O-CB 3.47Å; V487-A491 PolarHBondContact O-N 3.35Å; A491-Q493 PolarHBondContact O-N 3.49Å; A491-M494 PolarHBondContact O-N 2.94Å; A491-M495 VanDerWaalsContact O-CG 3.25Å; A491-M495 WeakPolarHBondContact O-CG 3.34Å; A491-M495 PolarHBondContact O-N 3.25Å; A491-M507 HydrophobicContact CB-CG 3.93Å; A491-M507 HydrophobicContact CB-SD 4.25Å; A491-F758 HydrophobicContact CB-CE2 3.62Å; A491-F758 HydrophobicContact CB-CZ 3.69Å
492	K	92	Very high	89	Confident	114 Å²	114	54.1 Å²	54.1	50%	0.496	29%	0.289	S	S	.	.	H	α-helix	trans	-58.9	-45.7	176.2	-178.8	174.8	173.5	175.4	0	112.3	Q488 I490 M494 M495 E496 M507	Q488-K492 WeakPolarHBondContact O-CB 3.43Å; Q488-K492 PolarHBondContact O-N 2.83Å; I490-K492 VanDerWaalsContact C-N 3.33Å; I490-K492 PolarHBondContact O-N 3.25Å; K492-M494 VanDerWaalsContact C-N 3.34Å; K492-M494 PolarHBondContact O-N 3.45Å; K492-M495 PolarHBondContact O-N 3.03Å; K492-E496 WeakPolarHBondContact CE-OE1 3.48Å; K492-E496 HydrophobicContact CG-CG 4.48Å; K492-E496 IonicContact NZ-OE1 2.94Å; K492-E496 WeakPolarHBondContact O-CB 3.22Å; K492-E496 WeakPolarHBondContact O-CG 3.31Å; K492-E496 PolarHBondContact O-N 3.2Å; K492-M507 HydrophobicContact CB-SD 4.39Å
493	Q	89.3	Confident	89	Confident	50 Å²	50	54.8 Å²	54.8	23%	0.234	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-39.6	178.3	-172	70.1	50.2	0	0	111.7	L489 I490 A491 E496 N497 M605	L489-Q493 WeakPolarHBondContact O-CB 3.34Å; L489-Q493 PolarHBondContact O-N 3.43Å; I490-Q493 PolarHBondContact O-N 3.04Å; I490-Q493 VanDerWaalsContact O-N 3.15Å; A491-Q493 PolarHBondContact O-N 3.49Å; Q493-E496 PolarHBondContact O-N 3.5Å; Q493-N497 PolarHBondContact NE2-OD1 3.29Å; Q493-N497 WeakPolarHBondContact O-CB 3.44Å; Q493-N497 PolarHBondContact O-N 2.89Å; Q493-N497 PolarHBondContact O-OD1 3.49Å; Q493-M605 HydrophobicContact CB-CE 3.91Å; Q493-M605 HydrophobicContact CG-CE 3.59Å
494	M	88.8	Confident	88.6	Confident	13 Å²	13	62.7 Å²	62.7	6%	0.064	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-43.6	176.9	-70.9	-62.7	-78.5	0	0	111.8	I490 A491 K492 N497 N498 Y502 M605 F758 M759 F760	I490-M494 HydrophobicContact CG2-CG 4.24Å; I490-M494 WeakPolarHBondContact O-CG 3.45Å; I490-M494 PolarHBondContact O-N 3.01Å; A491-M494 PolarHBondContact O-N 2.94Å; K492-M494 VanDerWaalsContact C-N 3.34Å; K492-M494 PolarHBondContact O-N 3.45Å; M494-N497 PolarHBondContact O-N 3.5Å; M494-N498 PolarHBondContact O-N 3.3Å; M494-Y502 HydrophobicContact CB-CE2 4.46Å; M494-Y502 HydrophobicContact CE-CE2 4.09Å; M494-M605 HydrophobicContact CG-CE 3.87Å; M494-M605 HydrophobicContact SD-CE 3.44Å; M494-M605 WeakPolarHBondContact SD-CE 3.5Å; M494-M605 HydrophobicContact SD-SD 4.33Å; M494-F758 HydrophobicContact CB-CD1 3.55Å; M494-F758 HydrophobicContact CB-CE1 3.9Å; M494-F758 HydrophobicContact CB-CG 4.03Å; M494-F758 HydrophobicContact CE-CB 3.77Å; M494-F758 HydrophobicContact CG-CB 4.25Å; M494-F758 HydrophobicContact CG-CD1 4.18Å; M494-F758 HydrophobicContact CG-CG 4.15Å; M494-M759 WeakPolarHBondContact CE-O 3.42Å; M494-F760 HydrophobicContact CG-CE1 4.45Å; M494-F760 HydrophobicContact SD-CE1 4.43Å
495	M	89.7	Confident	88.5	Confident	46 Å²	46	59.8 Å²	59.8	23%	0.227	34%	0.339	C	S	.	.	H	α-helix	trans	-66.5	-39.2	176.7	-66.4	172.7	83.8	0	0	112	A491 K492 N498 A499 A505 M507 F758	A491-M495 VanDerWaalsContact O-CG 3.25Å; A491-M495 WeakPolarHBondContact O-CG 3.34Å; A491-M495 PolarHBondContact O-N 3.25Å; K492-M495 PolarHBondContact O-N 3.03Å; M495-N498 CarbonylContact O-C 3.6Å; M495-A499 WeakPolarHBondContact O-CA 3.31Å; M495-A499 WeakPolarHBondContact O-CB 3.38Å; M495-A499 PolarHBondContact O-N 2.88Å; M495-A505 HydrophobicContact CE-CB 4.5Å; M495-M507 HydrophobicContact SD-CE 4.43Å; M495-M507 HydrophobicContact SD-CG 3.75Å; M495-M507 HydrophobicContact SD-SD 3.91Å; M495-F758 HydrophobicContact CG-CE1 3.88Å; M495-F758 HydrophobicContact CG-CZ 4.24Å
496	E	87	Confident	88.4	Confident	116 Å²	116	59.9 Å²	59.9	54%	0.542	34%	0.343	S	S	.	.	H	α-helix	trans	-66.6	-40.4	176.1	-75.7	175.5	176.2	0	0	112	K492 Q493	K492-E496 WeakPolarHBondContact CE-OE1 3.48Å; K492-E496 HydrophobicContact CG-CG 4.48Å; K492-E496 IonicContact NZ-OE1 2.94Å; K492-E496 WeakPolarHBondContact O-CB 3.22Å; K492-E496 WeakPolarHBondContact O-CG 3.31Å; K492-E496 PolarHBondContact O-N 3.2Å; Q493-E496 PolarHBondContact O-N 3.5Å
497	N	82.9	Confident	88.3	Confident	66 Å²	66	63.6 Å²	63.6	35%	0.353	36%	0.36	S	S	.	.	H	α-helix	trans	-72.3	-30.6	-180	-69.9	2	0	0	0	112.7	Q493 M494	Q493-N497 PolarHBondContact NE2-OD1 3.29Å; Q493-N497 WeakPolarHBondContact O-CB 3.44Å; Q493-N497 PolarHBondContact O-N 2.89Å; Q493-N497 PolarHBondContact O-OD1 3.49Å; M494-N497 PolarHBondContact O-N 3.5Å
498	N	82	Confident	88	Confident	78 Å²	78	70.7 Å²	70.7	42%	0.417	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.6	53.9	-174.6	-67.2	-70.5	0	0	0	112.4	M494 M495 A500 V501 Y502	M494-N498 PolarHBondContact O-N 3.3Å; M495-N498 CarbonylContact O-C 3.6Å; N498-A500 PolarHBondContact O-N 3.46Å; N498-A500 VanDerWaalsContact O-N 3.12Å; N498-V501 HydrophobicContact CB-CB 4.26Å; N498-V501 HydrophobicContact CB-CG2 4.37Å; N498-V501 PolarHBondContact O-N 3.12Å; N498-Y502 HydrophobicContact CB-CD2 3.71Å; N498-Y502 HydrophobicContact CB-CE2 3.7Å; N498-Y502 PolarHBondContact O-N 3.27Å; N498-Y502 VanDerWaalsContact O-N 3.16Å
499	A	81.4	Confident	88	Confident	66 Å²	66	66.8 Å²	66.8	55%	0.545	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.5	-172.3	0	0	0	0	0	114.5	M495 A503	M495-A499 WeakPolarHBondContact O-CA 3.31Å; M495-A499 WeakPolarHBondContact O-CB 3.38Å; M495-A499 PolarHBondContact O-N 2.88Å; A499-A503 PolarHBondContact O-N 2.89Å
500	A	80.8	Confident	87.9	Confident	99 Å²	99	67.9 Å²	67.9	82%	0.818	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-31.9	178.5	0	0	0	0	0	113.2	N498	N498-A500 PolarHBondContact O-N 3.46Å; N498-A500 VanDerWaalsContact O-N 3.12Å
501	V	81	Confident	87.9	Confident	94 Å²	94	72.9 Å²	72.9	57%	0.57	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-37.8	-178.1	-179.6	0	0	0	0	110.8	N498	N498-V501 HydrophobicContact CB-CB 4.26Å; N498-V501 HydrophobicContact CB-CG2 4.37Å; N498-V501 PolarHBondContact O-N 3.12Å
502	Y	88.5	Confident	87.8	Confident	19 Å²	19	75.1 Å²	75.1	8%	0.075	42%	0.418	C	S	.	.	S	Bend	trans	-108.4	28.8	-174	-55.6	-58.4	0	0	0	113.1	M494 N498 D504 A505 F758 M759	M494-Y502 HydrophobicContact CB-CE2 4.46Å; M494-Y502 HydrophobicContact CE-CE2 4.09Å; N498-Y502 HydrophobicContact CB-CD2 3.71Å; N498-Y502 HydrophobicContact CB-CE2 3.7Å; N498-Y502 PolarHBondContact O-N 3.27Å; N498-Y502 VanDerWaalsContact O-N 3.16Å; Y502-D504 VanDerWaalsContact C-N 3.27Å; Y502-D504 PolarHBondContact O-N 3.35Å; Y502-A505 WeakPolarHBondContact O-CB 3.26Å; Y502-A505 PolarHBondContact O-N 3.47Å; Y502-F758 AromaticContact CD1-CD1 3.67Å; Y502-F758 HydrophobicContact CD1-CD1 3.67Å; Y502-F758 HydrophobicContact CD1-CE1 4.11Å; Y502-F758 AromaticContact CD2-CD1 3.94Å; Y502-F758 HydrophobicContact CD2-CD1 3.94Å; Y502-F758 HydrophobicContact CD2-CE1 4.32Å; Y502-F758 HydrophobicContact CE1-CB 4.39Å; Y502-F758 AromaticContact CE1-CD1 3.82Å; Y502-F758 HydrophobicContact CE1-CD1 3.82Å; Y502-F758 HydrophobicContact CE2-CD1 4.07Å; Y502-F758 AromaticContact CG-CD1 3.74Å; Y502-F758 HydrophobicContact CG-CD1 3.74Å; Y502-F758 AromaticContact CG-CE1 3.92Å; Y502-F758 HydrophobicContact CG-CE1 3.92Å; Y502-M759 PolarHBondContact OH-N 2.85Å
503	A	85.1	Confident	87.6	Confident	72 Å²	72	74.8 Å²	74.8	60%	0.595	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-35.7	-179.5	0	0	0	0	0	112.7	A499	A499-A503 PolarHBondContact O-N 2.89Å
504	D	87.5	Confident	87.6	Confident	166 Å²	166	75.5 Å²	75.5	89%	0.888	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	3.7	179.9	-61.7	-39.3	0	0	0	113.2	Y502	Y502-D504 VanDerWaalsContact C-N 3.27Å; Y502-D504 PolarHBondContact O-N 3.35Å
505	A	89.2	Confident	87.6	Confident	17 Å²	17	75.7 Å²	75.7	14%	0.14	44%	0.443	C	S	.	.			trans	-72.4	132	-178	0	0	0	0	0	111.4	M495 Y502 F758	M495-A505 HydrophobicContact CE-CB 4.5Å; Y502-A505 WeakPolarHBondContact O-CB 3.26Å; Y502-A505 PolarHBondContact O-N 3.47Å; A505-F758 HydrophobicContact CB-CE1 3.95Å; A505-F758 HydrophobicContact CB-CZ 4.07Å
506	D	89.9	Confident	87.5	Confident	93 Å²	93	76.1 Å²	76.1	50%	0.497	44%	0.444	S	S	.	.			trans	-99.6	127	176.8	-167.3	-3.2	0	0	0	111.2	Q508 Q757	D506-Q508 VanDerWaalsContact C-N 3.33Å; D506-Q508 WeakPolarHBondContact OD1-CB 3.45Å; D506-Q508 PolarHBondContact OD1-N 3.43Å; D506-Q757 PolarHBondContact O-NE2 2.9Å
507	M	90	Very high	87.6	Confident	78 Å²	78	77.7 Å²	77.7	38%	0.384	45%	0.452	S	S	.	.			trans	-84.1	-9	175.4	-66.1	-170.5	-71.7	0	0	113.1	A491 K492 M495	A491-M507 HydrophobicContact CB-CG 3.93Å; A491-M507 HydrophobicContact CB-SD 4.25Å; K492-M507 HydrophobicContact CB-SD 4.39Å; M495-M507 HydrophobicContact SD-CE 4.43Å; M495-M507 HydrophobicContact SD-CG 3.75Å; M495-M507 HydrophobicContact SD-SD 3.91Å
508	Q	90.9	Very high	88	Confident	150 Å²	150	76.4 Å²	76.4	70%	0.701	45%	0.448	S	S	*	.	S	Bend	trans	-86.2	126.5	178.4	-172.2	168.6	-16.2	0	0	110.6	D506 D510	D506-Q508 VanDerWaalsContact C-N 3.33Å; D506-Q508 WeakPolarHBondContact OD1-CB 3.45Å; D506-Q508 PolarHBondContact OD1-N 3.43Å; Q508-D510 PolarHBondContact O-N 3.47Å
509	A	92.1	Very high	88.6	Confident	8 Å²	8	72.9 Å²	72.9	7%	0.066	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-68.5	124.9	172.9	0	0	0	0	0	110.4	Y511 C750 V754	A509-Y511 HydrophobicContact CB-CE1 4.19Å; A509-Y511 HydrophobicContact CB-CE2 4.01Å; A509-Y511 WeakPolarHBondContact O-CD2 3.49Å; A509-Y511 VanDerWaalsContact O-CE2 3.25Å; A509-Y511 WeakPolarHBondContact O-CE2 3.48Å; A509-C750 HydrophobicContact CB-CB 4.37Å; A509-V754 HydrophobicContact CB-CG2 3.87Å
510	D	92	Very high	89	Confident	80 Å²	80	74.7 Å²	74.7	43%	0.428	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-79.3	129.1	167	-173.4	-5.1	0	0	0	109.2	Q508 S512 S515 C750 R753	Q508-D510 PolarHBondContact O-N 3.47Å; D510-S512 VanDerWaalsContact CG-OG 3.31Å; D510-S512 WeakPolarHBondContact OD1-CB 3.36Å; D510-S512 PolarHBondContact OD1-N 3.25Å; D510-S512 PolarHBondContact OD1-OG 3.44Å; D510-S512 PolarHBondContact OD2-OG 2.84Å; D510-S512 VanDerWaalsContact OD2-OG 3.04Å; D510-S515 VanDerWaalsContact OD2-CB 3.24Å; D510-S515 WeakPolarHBondContact OD2-CB 3.25Å; D510-C750 WeakPolarHBondContact O-CB 3.32Å; D510-C750 PolarHBondContact O-SG 3.06Å; D510-R753 PolarHBondContact O-NH2 3.42Å
511	Y	92.5	Very high	89.4	Confident	105 Å²	105	74.7 Å²	74.7	41%	0.412	41%	0.405	S	S	.	.			trans	-110	9.9	177.7	-56.1	-82.7	0	0	0	112.9	R484 A509 Q747 C750 E751	R484-Y511 PolarHBondContact NH2-OH 2.89Å; A509-Y511 HydrophobicContact CB-CE1 4.19Å; A509-Y511 HydrophobicContact CB-CE2 4.01Å; A509-Y511 WeakPolarHBondContact O-CD2 3.49Å; A509-Y511 VanDerWaalsContact O-CE2 3.25Å; A509-Y511 WeakPolarHBondContact O-CE2 3.48Å; Y511-Q747 HydrophobicContact CE1-CG 3.87Å; Y511-C750 HydrophobicContact CD1-CB 3.53Å; Y511-C750 HydrophobicContact CE1-CB 3.63Å; Y511-C750 HydrophobicContact CG-CB 4.44Å; Y511-E751 PolarHBondContact OH-OE1 2.82Å
512	S	91.2	Very high	89.9	Confident	47 Å²	47	73.6 Å²	73.6	33%	0.329	40%	0.396	S	S	.	.			trans	-67.9	148.6	178.9	72.8	0	0	0	0	111.7	D510 A514 S515 H516	D510-S512 VanDerWaalsContact CG-OG 3.31Å; D510-S512 WeakPolarHBondContact OD1-CB 3.36Å; D510-S512 PolarHBondContact OD1-N 3.25Å; D510-S512 PolarHBondContact OD1-OG 3.44Å; D510-S512 PolarHBondContact OD2-OG 2.84Å; D510-S512 VanDerWaalsContact OD2-OG 3.04Å; S512-A514 VanDerWaalsContact C-N 3.3Å; S512-A514 PolarHBondContact O-N 2.87Å; S512-S515 PolarHBondContact O-N 2.97Å; S512-S515 VanDerWaalsContact OG-CB 3.31Å; S512-S515 WeakPolarHBondContact OG-CB 3.41Å; S512-S515 PolarHBondContact OG-N 3.26Å; S512-H516 PolarHBondContact O-N 3.17Å
513	V	88.1	Confident	89.9	Confident	107 Å²	107	73 Å²	73	65%	0.648	39%	0.394	S	S	*	.	H	α-helix	trans	-63.3	-39.4	175.3	-179.7	0	0	0	0	110.6	S515 H516 E517	V513-S515 VanDerWaalsContact C-N 3.3Å; V513-S515 PolarHBondContact O-N 3.05Å; V513-H516 WeakPolarHBondContact O-CB 3.34Å; V513-H516 PolarHBondContact O-N 3.36Å; V513-E517 PolarHBondContact O-N 3.14Å; V513-E517 VanDerWaalsContact O-N 3.14Å
514	A	88.7	Confident	90	Very high	66 Å²	66	71.3 Å²	71.3	55%	0.545	37%	0.374	S	S	.	.	H	α-helix	trans	-58.4	-40.7	178.2	0	0	0	0	0	112.4	S512 H516 E517 S518	S512-A514 VanDerWaalsContact C-N 3.3Å; S512-A514 PolarHBondContact O-N 2.87Å; A514-H516 VanDerWaalsContact C-N 3.32Å; A514-H516 PolarHBondContact O-N 3.31Å; A514-E517 PolarHBondContact O-N 2.95Å; A514-S518 PolarHBondContact O-N 3.03Å
515	S	89	Confident	89.9	Confident	17 Å²	17	66.6 Å²	66.6	12%	0.119	35%	0.349	C	S	.	.	H	α-helix	trans	-61.6	-41.1	175.7	-176.5	0	0	0	0	111.9	D510 S512 V513 E517 S518 D519 R753	D510-S515 VanDerWaalsContact OD2-CB 3.24Å; D510-S515 WeakPolarHBondContact OD2-CB 3.25Å; S512-S515 PolarHBondContact O-N 2.97Å; S512-S515 VanDerWaalsContact OG-CB 3.31Å; S512-S515 WeakPolarHBondContact OG-CB 3.41Å; S512-S515 PolarHBondContact OG-N 3.26Å; V513-S515 VanDerWaalsContact C-N 3.3Å; V513-S515 PolarHBondContact O-N 3.05Å; S515-E517 PolarHBondContact O-N 3.01Å; S515-S518 PolarHBondContact O-N 3.44Å; S515-S518 PolarHBondContact O-OG 3.47Å; S515-D519 PolarHBondContact O-N 3.19Å; S515-R753 VanDerWaalsContact C-NH1 3.35Å; S515-R753 PolarHBondContact O-NH1 3.41Å; S515-R753 PolarHBondContact OG-NH1 3.48Å; S515-R753 PolarHBondContact OG-NH2 2.97Å; S515-R753 VanDerWaalsContact OG-NH2 3.08Å
516	H	88.2	Confident	89.5	Confident	54 Å²	54	68.9 Å²	68.9	25%	0.25	36%	0.359	C	S	.	.	H	α-helix	trans	-62.7	-41.3	177.5	-169.6	93.2	0	0	0	113.2	S512 V513 A514 S518 D519 E721 K749	S512-H516 PolarHBondContact O-N 3.17Å; V513-H516 WeakPolarHBondContact O-CB 3.34Å; V513-H516 PolarHBondContact O-N 3.36Å; A514-H516 VanDerWaalsContact C-N 3.32Å; A514-H516 PolarHBondContact O-N 3.31Å; H516-S518 PolarHBondContact O-N 2.97Å; H516-D519 PolarHBondContact O-N 3.2Å; H516-E721 IonicContact CE1-OE1 2.86Å; H516-E721 IonicContact NE2-OE1 3.56Å; H516-K749 PolarHBondContact CE1-NZ 3.4Å; H516-K749 PolarHBondContact ND1-NZ 3.05Å
517	E	88.9	Confident	88.9	Confident	150 Å²	150	65.5 Å²	65.5	70%	0.701	34%	0.34	S	S	*	.	H	α-helix	trans	-65.2	-26.2	177.2	-67.9	175.8	175.7	0	0	112.3	V513 A514 S515	V513-E517 PolarHBondContact O-N 3.14Å; V513-E517 VanDerWaalsContact O-N 3.14Å; A514-E517 PolarHBondContact O-N 2.95Å; S515-E517 PolarHBondContact O-N 3.01Å
518	S	91.8	Very high	88.1	Confident	39 Å²	39	68.4 Å²	68.4	27%	0.273	35%	0.353	S	S	.	.	H	α-helix	trans	-83.6	-14	179.9	73.8	0	0	0	0	115	A514 S515 H516 Y520 Q521 N522	A514-S518 PolarHBondContact O-N 3.03Å; S515-S518 PolarHBondContact O-N 3.44Å; S515-S518 PolarHBondContact O-OG 3.47Å; H516-S518 PolarHBondContact O-N 2.97Å; S518-Y520 PolarHBondContact O-N 3.27Å; S518-Q521 PolarHBondContact O-N 3.29Å; S518-Q521 VanDerWaalsContact O-N 3.1Å; S518-N522 PolarHBondContact O-N 2.98Å; S518-N522 PolarHBondContact O-ND2 3.01Å; S518-N522 PolarHBondContact OG-ND2 3.38Å
519	D	93.1	Very high	87	Confident	3 Å²	3	65.5 Å²	65.5	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-58.6	-43.8	-168.6	-71.3	-27.6	0	0	0	113.8	S515 H516 Y523 L718 K749 R753	S515-D519 PolarHBondContact O-N 3.19Å; H516-D519 PolarHBondContact O-N 3.2Å; D519-Y523 WeakPolarHBondContact O-CB 3.38Å; D519-Y523 PolarHBondContact O-N 3.06Å; D519-L718 HydrophobicContact CB-CD2 3.86Å; D519-K749 WeakPolarHBondContact OD2-CE 3.44Å; D519-K749 IonicContact OD2-NZ 2.76Å; D519-K749 PolarHBondContact OD2-NZ 3.47Å; D519-R753 WeakPolarHBondContact OD1-CD 3.46Å; D519-R753 IonicContact OD1-CZ 2.68Å; D519-R753 IonicContact OD1-NE 3.88Å; D519-R753 IonicContact OD1-NH1 3.7Å; D519-R753 PolarHBondContact OD1-NH1 2.97Å; D519-R753 IonicContact OD2-NH1 3.58Å; D519-R753 PolarHBondContact OD2-NH1 3.28Å
520	Y	90.7	Very high	85.8	Confident	105 Å²	105	66.1 Å²	66.1	41%	0.412	35%	0.353	S	S	.	.	H	α-helix	trans	-68.1	-39.1	179.3	-172.5	-98.9	0	0	0	111.7	S518 Y523 L524 P677	S518-Y520 PolarHBondContact O-N 3.27Å; Y520-Y523 WeakPolarHBondContact O-CB 3.49Å; Y520-Y523 PolarHBondContact O-N 3.06Å; Y520-L524 HydrophobicContact CD1-CD1 3.95Å; Y520-L524 HydrophobicContact CD1-CG 4.29Å; Y520-L524 HydrophobicContact CE1-CD1 3.59Å; Y520-L524 HydrophobicContact CE1-CD2 4.4Å; Y520-L524 HydrophobicContact CE1-CG 4.03Å; Y520-L524 WeakPolarHBondContact O-CG 3.45Å; Y520-L524 PolarHBondContact O-N 2.93Å; Y520-P677 HydrophobicContact CD2-CG 4.24Å; Y520-P677 HydrophobicContact CE2-CG 4.12Å
521	Q	89.4	Confident	84.5	Confident	99 Å²	99	66.1 Å²	66.1	46%	0.463	35%	0.35	S	S	.	.	H	α-helix	trans	-66.7	-44.6	176.8	-172.7	60.3	51.2	0	0	111	S518 Y523 L524 D525	S518-Q521 PolarHBondContact O-N 3.29Å; S518-Q521 VanDerWaalsContact O-N 3.1Å; Q521-Y523 VanDerWaalsContact C-N 3.27Å; Q521-Y523 PolarHBondContact O-N 3.06Å; Q521-L524 WeakPolarHBondContact O-CB 3.42Å; Q521-L524 PolarHBondContact O-N 3.02Å; Q521-L524 VanDerWaalsContact O-N 3.1Å; Q521-D525 PolarHBondContact NE2-OD1 3.07Å; Q521-D525 PolarHBondContact O-N 2.77Å
522	N	90.3	Very high	83.7	Confident	70 Å²	70	63.6 Å²	63.6	37%	0.374	34%	0.341	S	S	.	.	H	α-helix	trans	-59.4	-39.4	175.5	-64.4	-24.5	0	0	0	111.5	S518 D525 N526	S518-N522 PolarHBondContact O-N 2.98Å; S518-N522 PolarHBondContact O-ND2 3.01Å; S518-N522 PolarHBondContact OG-ND2 3.38Å; N522-D525 PolarHBondContact O-N 2.9Å; N522-N526 VanDerWaalsContact O-CB 3.29Å; N522-N526 WeakPolarHBondContact O-CB 3.35Å; N522-N526 PolarHBondContact O-N 3.14Å; N522-N526 PolarHBondContact O-ND2 2.52Å
523	Y	90.3	Very high	83.1	Confident	8 Å²	8	62.3 Å²	62.3	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-60.4	-47.5	173.4	164	-97.9	0	0	0	112.1	D519 Y520 Q521 H527 I674 L675 P677 L680 V715 L718	D519-Y523 WeakPolarHBondContact O-CB 3.38Å; D519-Y523 PolarHBondContact O-N 3.06Å; Y520-Y523 WeakPolarHBondContact O-CB 3.49Å; Y520-Y523 PolarHBondContact O-N 3.06Å; Q521-Y523 VanDerWaalsContact C-N 3.27Å; Q521-Y523 PolarHBondContact O-N 3.06Å; Y523-H527 AromaticContact CD2-CE1 3.54Å; Y523-H527 AromaticContact CD2-ND1 3.5Å; Y523-H527 AromaticContact CE2-CE1 3.11Å; Y523-H527 WeakPolarHBondContact CE2-CE1 3.5Å; Y523-H527 AromaticContact CE2-ND1 3.31Å; Y523-H527 VanDerWaalsContact CE2-ND1 3.31Å; Y523-H527 WeakPolarHBondContact CE2-ND1 3.31Å; Y523-H527 AromaticContact CE2-NE2 3.74Å; Y523-H527 AromaticContact CZ-CE1 3.94Å; Y523-H527 AromaticContact CZ-ND1 3.88Å; Y523-H527 PolarHBondContact O-N 3.47Å; Y523-H527 VanDerWaalsContact O-N 3.11Å; Y523-H527 PolarHBondContact O-ND1 3.24Å; Y523-I674 HydrophobicContact CE1-CG2 3.74Å; Y523-L675 WeakPolarHBondContact CE1-O 3.1Å; Y523-L675 PolarHBondContact OH-O 3.14Å; Y523-P677 HydrophobicContact CD1-CG 4.27Å; Y523-P677 HydrophobicContact CE1-CG 4.21Å; Y523-L680 HydrophobicContact CE2-CD1 4.12Å; Y523-L680 WeakPolarHBondContact OH-CD1 3.46Å; Y523-V715 HydrophobicContact CD2-CB 4.44Å; Y523-V715 HydrophobicContact CE2-CB 4.29Å; Y523-V715 HydrophobicContact CE2-CG2 4.38Å; Y523-L718 HydrophobicContact CD2-CD1 4.31Å; Y523-L718 HydrophobicContact CG-CD1 4.01Å
524	L	86.5	Confident	82.9	Confident	35 Å²	35	57.2 Å²	57.2	18%	0.183	30%	0.299	C	S	.	.	H	α-helix	trans	-62	-47.6	177.1	-69.2	179.2	0	0	0	111.3	Y520 Q521 N526 H527 Q528 I674	Y520-L524 HydrophobicContact CD1-CD1 3.95Å; Y520-L524 HydrophobicContact CD1-CG 4.29Å; Y520-L524 HydrophobicContact CE1-CD1 3.59Å; Y520-L524 HydrophobicContact CE1-CD2 4.4Å; Y520-L524 HydrophobicContact CE1-CG 4.03Å; Y520-L524 WeakPolarHBondContact O-CG 3.45Å; Y520-L524 PolarHBondContact O-N 2.93Å; Q521-L524 WeakPolarHBondContact O-CB 3.42Å; Q521-L524 PolarHBondContact O-N 3.02Å; Q521-L524 VanDerWaalsContact O-N 3.1Å; L524-N526 PolarHBondContact O-N 3.15Å; L524-H527 PolarHBondContact O-N 3.42Å; L524-Q528 VanDerWaalsContact O-CG 3.31Å; L524-Q528 WeakPolarHBondContact O-CG 3.37Å; L524-Q528 PolarHBondContact O-N 3.46Å; L524-I674 HydrophobicContact CD2-CB 4.38Å; L524-I674 HydrophobicContact CD2-CD1 4.46Å; L524-I674 HydrophobicContact CD2-CG2 3.93Å
525	D	84.6	Confident	82.6	Confident	67 Å²	67	55.5 Å²	55.5	36%	0.358	28%	0.279	S	S	.	.	H	α-helix	trans	-60.4	-47.2	-178.4	-66	-16.1	0	0	0	110.8	Q521 N522 H527 Q528 S529	Q521-D525 PolarHBondContact NE2-OD1 3.07Å; Q521-D525 PolarHBondContact O-N 2.77Å; N522-D525 PolarHBondContact O-N 2.9Å; D525-H527 VanDerWaalsContact C-N 3.29Å; D525-H527 PolarHBondContact O-N 3.09Å; D525-Q528 PolarHBondContact O-N 3.3Å; D525-S529 PolarHBondContact O-N 2.87Å; D525-S529 PolarHBondContact O-OG 3.48Å; D525-S529 VanDerWaalsContact O-OG 3.06Å
526	N	81.6	Confident	82.5	Confident	65 Å²	65	54.7 Å²	54.7	35%	0.348	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-36.5	177	-73.5	-19	0	0	0	112.6	N522 L524 S529 S530	N522-N526 VanDerWaalsContact O-CB 3.29Å; N522-N526 WeakPolarHBondContact O-CB 3.35Å; N522-N526 PolarHBondContact O-N 3.14Å; N522-N526 PolarHBondContact O-ND2 2.52Å; L524-N526 PolarHBondContact O-N 3.15Å; N526-S529 PolarHBondContact O-OG 3.46Å; N526-S530 WeakPolarHBondContact O-CA 3.42Å; N526-S530 WeakPolarHBondContact O-CB 3.28Å; N526-S530 PolarHBondContact O-N 3.36Å
527	H	77.7	Confident	82.4	Confident	22 Å²	22	55.3 Å²	55.3	10%	0.102	28%	0.278	C	S	.	.	H	α-helix	trans	-78.7	-30.6	178.1	-80.3	72.8	0	0	0	113.4	Y523 L524 D525 S530 R591 I674 E713	Y523-H527 AromaticContact CD2-CE1 3.54Å; Y523-H527 AromaticContact CD2-ND1 3.5Å; Y523-H527 AromaticContact CE2-CE1 3.11Å; Y523-H527 WeakPolarHBondContact CE2-CE1 3.5Å; Y523-H527 AromaticContact CE2-ND1 3.31Å; Y523-H527 VanDerWaalsContact CE2-ND1 3.31Å; Y523-H527 WeakPolarHBondContact CE2-ND1 3.31Å; Y523-H527 AromaticContact CE2-NE2 3.74Å; Y523-H527 AromaticContact CZ-CE1 3.94Å; Y523-H527 AromaticContact CZ-ND1 3.88Å; Y523-H527 PolarHBondContact O-N 3.47Å; Y523-H527 VanDerWaalsContact O-N 3.11Å; Y523-H527 PolarHBondContact O-ND1 3.24Å; L524-H527 PolarHBondContact O-N 3.42Å; D525-H527 VanDerWaalsContact C-N 3.29Å; D525-H527 PolarHBondContact O-N 3.09Å; H527-S530 PolarHBondContact O-N 2.9Å; H527-R591 PolarHBondContact NE2-NH2 2.89Å; H527-I674 HydrophobicContact CB-CB 4.46Å; H527-I674 HydrophobicContact CB-CD1 3.7Å; H527-I674 HydrophobicContact CB-CG1 3.89Å; H527-I674 HydrophobicContact CB-CG2 3.73Å; H527-E713 PolarHBondContact CE1-O 3.3Å; H527-E713 IonicContact NE2-OE2 2.79Å; H527-E713 PolarHBondContact NE2-OE2 2.88Å
528	Q	72.1	Confident	82.3	Confident	140 Å²	140	51 Å²	51	65%	0.654	26%	0.261	S	S	*	.	H	α-helix	trans	-67.4	-39	172.1	-72	179.5	16.8	0	0	111.2	L524 D525 I674	L524-Q528 VanDerWaalsContact O-CG 3.31Å; L524-Q528 WeakPolarHBondContact O-CG 3.37Å; L524-Q528 PolarHBondContact O-N 3.46Å; D525-Q528 PolarHBondContact O-N 3.3Å; Q528-I674 HydrophobicContact CB-CD1 4.3Å; Q528-I674 HydrophobicContact CG-CD1 3.37Å
529	S	68.2	Low	82.3	Confident	89 Å²	89	54.3 Å²	54.3	62%	0.622	28%	0.276	S	S	*	.	S	Bend	trans	-86.8	-3.5	176.9	63.1	0	0	0	0	114.3	D525 N526 Q531	D525-S529 PolarHBondContact O-N 2.87Å; D525-S529 PolarHBondContact O-OG 3.48Å; D525-S529 VanDerWaalsContact O-OG 3.06Å; N526-S529 PolarHBondContact O-OG 3.46Å; S529-Q531 PolarHBondContact O-N 3.11Å
530	S	66.3	Low	82.3	Confident	20 Å²	20	55.5 Å²	55.5	14%	0.14	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-59.2	124.5	-170.7	-174.3	0	0	0	0	110.9	N526 H527 K532 R591	N526-S530 WeakPolarHBondContact O-CA 3.42Å; N526-S530 WeakPolarHBondContact O-CB 3.28Å; N526-S530 PolarHBondContact O-N 3.36Å; H527-S530 PolarHBondContact O-N 2.9Å; S530-K532 PolarHBondContact O-N 2.97Å; S530-R591 PolarHBondContact OG-NH2 3.13Å
531	Q	66.1	Low	82.4	Confident	80 Å²	80	57.4 Å²	57.4	37%	0.374	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-59.4	134.4	170.5	-70.6	177.9	-16.4	0	0	109.1	S529 F533 T557	S529-Q531 PolarHBondContact O-N 3.11Å; Q531-F533 HydrophobicContact CB-CE2 4.43Å; Q531-F533 HydrophobicContact CB-CZ 4.36Å; Q531-F533 WeakPolarHBondContact O-CD2 3.11Å; Q531-F533 WeakPolarHBondContact O-CE2 3.27Å; Q531-T557 HydrophobicContact CB-CG2 3.73Å; Q531-T557 VanDerWaalsContact CD-CG2 3.43Å; Q531-T557 HydrophobicContact CG-CG2 3.91Å
532	K	75.3	Confident	82.4	Confident	52 Å²	52	58.4 Å²	58.4	23%	0.226	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	139.2	175.5	-60	-64.7	171	-174.2	0	107.5	S530 T557 V558 D588	S530-K532 PolarHBondContact O-N 2.97Å; K532-T557 CarbonylContact O-C 3.57Å; K532-V558 HydrophobicContact CB-CB 4.03Å; K532-V558 WeakPolarHBondContact O-CA 3.47Å; K532-V558 WeakPolarHBondContact O-CB 3.43Å; K532-V558 PolarHBondContact O-N 3.22Å; K532-D588 WeakPolarHBondContact CD-OD1 3.44Å; K532-D588 WeakPolarHBondContact CE-OD1 3.41Å; K532-D588 IonicContact NZ-OD1 2.82Å; K532-D588 PolarHBondContact NZ-OD1 3.23Å; K532-D588 IonicContact NZ-OD2 3.13Å; K532-D588 PolarHBondContact NZ-OD2 2.97Å
533	F	78.2	Confident	82.3	Confident	21 Å²	21	61.6 Å²	61.6	9%	0.092	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	143.6	177.3	-65.7	-83.5	0	0	0	109.9	Q531 M555 I556 T557 L586 H761	Q531-F533 HydrophobicContact CB-CE2 4.43Å; Q531-F533 HydrophobicContact CB-CZ 4.36Å; Q531-F533 WeakPolarHBondContact O-CD2 3.11Å; Q531-F533 WeakPolarHBondContact O-CE2 3.27Å; F533-M555 HydrophobicContact CB-CG 4.38Å; F533-M555 HydrophobicContact CD1-CG 3.94Å; F533-M555 HydrophobicContact CD1-SD 3.72Å; F533-M555 HydrophobicContact CE1-SD 4.18Å; F533-M555 HydrophobicContact CG-SD 4.25Å; F533-I556 CarbonylContact C-O 3.55Å; F533-I556 WeakPolarHBondContact CA-O 3.37Å; F533-T557 HydrophobicContact CE1-CG2 4.44Å; F533-L586 HydrophobicContact CB-CD1 3.63Å; F533-L586 HydrophobicContact CB-CG 4.35Å; F533-L586 WeakPolarHBondContact O-CB 3.48Å; F533-L586 PolarHBondContact O-N 3.44Å; F533-H761 AromaticContact CZ-NE2 3.92Å
534	A	83.9	Confident	82.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.7	170.5	0	0	0	0	0	109.6	I556 V558 V583 E584	A534-I556 PolarHBondContact N-O 3.48Å; A534-I556 PolarHBondContact O-N 3.37Å; A534-V558 HydrophobicContact CB-CG2 3.55Å; A534-V583 HydrophobicContact CB-CB 3.8Å; A534-V583 HydrophobicContact CB-CG2 3.7Å; A534-E584 CarbonylContact C-O 3.15Å; A534-E584 VanDerWaalsContact CA-O 3.26Å; A534-E584 WeakPolarHBondContact CA-O 3.38Å
535	R	82.2	Confident	82.3	Confident	30 Å²	30	72.7 Å²	72.7	11%	0.113	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.8	173.9	179.9	179.3	60.8	167.8	-2.5	109.4	L537 V583 E584 L586 S595 F596	R535-L537 PolarHBondContact O-N 3.43Å; R535-V583 CarbonylContact O-C 3.42Å; R535-V583 WeakPolarHBondContact O-CA 3.4Å; R535-V583 WeakPolarHBondContact O-CB 3.42Å; R535-E584 IonicContact CZ-OE2 3.4Å; R535-E584 PolarHBondContact N-O 3.27Å; R535-E584 IonicContact NE-OE2 3.67Å; R535-E584 IonicContact NH2-OE2 3.19Å; R535-E584 PolarHBondContact NH2-OE2 3.06Å; R535-E584 PolarHBondContact O-N 3.25Å; R535-L586 HydrophobicContact CB-CD2 4.46Å; R535-S595 PolarHBondContact NH1-O 2.86Å; R535-F596 HydrophobicContact CB-CE1 3.92Å; R535-F596 HydrophobicContact CB-CZ 4.04Å; R535-F596 HydrophobicContact CG-CD1 4.48Å; R535-F596 HydrophobicContact CG-CE1 3.87Å; R535-F596 HydrophobicContact CG-CZ 4.35Å
536	A	88.2	Confident	82.6	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	122.5	171.2	0	0	0	0	0	111.3	F550 R551 D553 D554 I556	A536-F550 HydrophobicContact CB-CD2 3.3Å; A536-F550 HydrophobicContact CB-CE2 3.53Å; A536-F550 HydrophobicContact CB-CG 4.2Å; A536-R551 WeakPolarHBondContact CB-O 3.4Å; A536-D553 WeakPolarHBondContact O-CA 3.4Å; A536-D553 PolarHBondContact O-N 3.21Å; A536-D554 HydrophobicContact CB-CB 4.37Å; A536-D554 PolarHBondContact N-O 3.48Å; A536-I556 HydrophobicContact CB-CD1 4.29Å
537	L	84.7	Confident	83.1	Confident	66 Å²	66	71.6 Å²	71.6	35%	0.346	35%	0.354	S	S	.	.	S	Bend	trans	-83.6	-22.2	175.6	-64.7	175.7	0	0	0	112.4	R535 K552 F582 E584	R535-L537 PolarHBondContact O-N 3.43Å; L537-K552 WeakPolarHBondContact O-CG 3.24Å; L537-F582 WeakPolarHBondContact CB-O 3.48Å; L537-F582 PolarHBondContact N-O 2.87Å; L537-E584 HydrophobicContact CD1-CB 4.23Å; L537-E584 HydrophobicContact CD2-CB 3.88Å; L537-E584 HydrophobicContact CG-CB 4.15Å
538	V	88	Confident	83.9	Confident	60 Å²	60	70.6 Å²	70.6	36%	0.364	35%	0.349	S	S	.	.	S	Bend	trans	-146.1	163.1	-175.3	-65	0	0	0	0	110.2	F550 F582	V538-F550 WeakPolarHBondContact O-CE2 3.37Å; V538-F582 HydrophobicContact CG2-CB 3.67Å; V538-F582 HydrophobicContact CG2-CD1 3.96Å; V538-F582 HydrophobicContact CG2-CD2 3.57Å; V538-F582 HydrophobicContact CG2-CE1 4.48Å; V538-F582 HydrophobicContact CG2-CE2 4.14Å; V538-F582 HydrophobicContact CG2-CG 3.47Å; V538-F582 VanDerWaalsContact CG2-CG 3.47Å
539	D	90.6	Very high	84.9	Confident	109 Å²	109	65.3 Å²	65.3	58%	0.583	33%	0.332	S	S	*	.			trans	-68.9	141.1	168.4	-61.7	-32.7	0	0	0	110	R551 K552	D539-R551 VanDerWaalsContact OD1-CA 3.28Å; D539-R551 WeakPolarHBondContact OD1-CA 3.33Å; D539-K552 WeakPolarHBondContact OD1-CB 3.36Å; D539-K552 PolarHBondContact OD1-N 3.2Å
540	F	93.3	Very high	86.1	Confident	27 Å²	27	61.6 Å²	61.6	12%	0.118	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-134.5	109.7	172.7	-177.8	-121.5	0	0	0	108.9	E547 L548 G549 F550 W577 F578 P579 F582	F540-E547 HydrophobicContact CE1-CB 4.49Å; F540-E547 HydrophobicContact CZ-CG 4.37Å; F540-L548 VanDerWaalsContact CD1-O 3.24Å; F540-L548 WeakPolarHBondContact CD1-O 3.41Å; F540-G549 CarbonylContact O-C 3.31Å; F540-G549 WeakPolarHBondContact O-CA 3.3Å; F540-F550 HydrophobicContact CB-CD1 4.33Å; F540-F550 HydrophobicContact CB-CD2 3.96Å; F540-F550 HydrophobicContact CB-CE1 3.97Å; F540-F550 HydrophobicContact CB-CE2 3.56Å; F540-F550 HydrophobicContact CB-CG 4.34Å; F540-F550 HydrophobicContact CB-CZ 3.57Å; F540-F550 HydrophobicContact CD1-CD1 4.33Å; F540-F550 AromaticContact CD1-CE1 3.84Å; F540-F550 HydrophobicContact CD1-CE1 3.84Å; F540-F550 HydrophobicContact CD1-CZ 4.15Å; F540-F550 HydrophobicContact CG-CE1 4.31Å; F540-F550 HydrophobicContact CG-CZ 4.17Å; F540-F550 PolarHBondContact N-O 3.49Å; F540-F550 PolarHBondContact O-N 2.75Å; F540-F550 VanDerWaalsContact O-O 3.11Å; F540-W577 HydrophobicContact CZ-CH2 4.46Å; F540-W577 HydrophobicContact CZ-CZ3 4.46Å; F540-F578 HydrophobicContact CD1-CB 4.14Å; F540-F578 HydrophobicContact CE1-CB 4.09Å; F540-P579 HydrophobicContact CD2-CG 4.43Å; F540-P579 HydrophobicContact CE2-CG 4Å; F540-P579 HydrophobicContact CZ-CG 4.14Å; F540-F582 HydrophobicContact CB-CD1 4.17Å; F540-F582 AromaticContact CD2-CD1 3.82Å; F540-F582 HydrophobicContact CD2-CD1 3.82Å; F540-F582 AromaticContact CD2-CE1 3.69Å; F540-F582 HydrophobicContact CD2-CE1 3.69Å; F540-F582 HydrophobicContact CE2-CE1 4.26Å; F540-F582 HydrophobicContact CG-CD1 4.12Å; F540-F582 HydrophobicContact CG-CE1 4.43Å
541	E	91.9	Very high	87.2	Confident	145 Å²	145	69.6 Å²	69.6	68%	0.678	33%	0.332	S	S	*	.			trans	-82.1	134.7	179.8	-68.9	-176.5	168.5	0	0	110.7	H543	E541-H543 PolarHBondContact O-CE1 2.94Å; E541-H543 PolarHBondContact O-N 3.17Å; E541-H543 PolarHBondContact O-ND1 2.9Å
542	R	91.2	Very high	88.1	Confident	120 Å²	120	71.4 Å²	71.4	45%	0.453	34%	0.338	S	S	.	.			trans	-76.8	118	175.6	-179.4	178.2	-176	-171.7	5.3	110.2	D544 E545 E547	R542-D544 WeakPolarHBondContact CG-O 3.15Å; R542-D544 PolarHBondContact NE-O 2.95Å; R542-D544 VanDerWaalsContact NE-O 3.09Å; R542-E545 PolarHBondContact NH2-O 3.27Å; R542-E547 WeakPolarHBondContact CD-O 3.08Å; R542-E547 HydrophobicContact CG-CB 4.02Å; R542-E547 VanDerWaalsContact CG-O 3.31Å; R542-E547 WeakPolarHBondContact CG-O 3.38Å; R542-E547 PolarHBondContact NE-O 2.83Å; R542-E547 VanDerWaalsContact NE-O 3.09Å
543	H	88.2	Confident	88.3	Confident	138 Å²	138	71.2 Å²	71.2	64%	0.639	34%	0.34	S	S	*	.			trans	-104.9	-31.3	175.9	-64.5	79.4	0	0	0	112.2	E541 E547	E541-H543 PolarHBondContact O-CE1 2.94Å; E541-H543 PolarHBondContact O-N 3.17Å; E541-H543 PolarHBondContact O-ND1 2.9Å; H543-E547 PolarHBondContact N-OE2 2.79Å; H543-E547 IonicContact ND1-OE2 3.84Å
544	D	88.6	Confident	88.5	Confident	96 Å²	96	72 Å²	72	51%	0.513	35%	0.345	S	S	.	.	S	Bend	trans	-115.6	161.3	180	-69.7	-45.2	0	0	0	113.1	R542 D546 E547	R542-D544 WeakPolarHBondContact CG-O 3.15Å; R542-D544 PolarHBondContact NE-O 2.95Å; R542-D544 VanDerWaalsContact NE-O 3.09Å; D544-D546 VanDerWaalsContact CB-OD1 3.23Å; D544-D546 WeakPolarHBondContact CB-OD1 3.38Å; D544-D546 PolarHBondContact O-N 3.4Å; D544-E547 HydrophobicContact CB-CG 4.28Å; D544-E547 PolarHBondContact N-OE2 2.84Å; D544-E547 PolarHBondContact O-N 2.94Å
545	E	86.4	Confident	88.3	Confident	179 Å²	179	74.6 Å²	74.6	84%	0.836	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.4	-178	-71.4	-169.6	170.8	0	0	113.2	R542	R542-E545 PolarHBondContact NH2-O 3.27Å
546	D	91.3	Very high	88.5	Confident	92 Å²	92	73.2 Å²	73.2	49%	0.492	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-9.4	179.1	61.7	-34.5	0	0	0	113.8	D544 G576 W577	D544-D546 VanDerWaalsContact CB-OD1 3.23Å; D544-D546 WeakPolarHBondContact CB-OD1 3.38Å; D544-D546 PolarHBondContact O-N 3.4Å; D546-G576 CarbonylContact O-C 3.54Å; D546-G576 WeakPolarHBondContact O-CA 3.26Å; D546-W577 PolarHBondContact O-N 3.1Å; D546-W577 PolarHBondContact OD2-NE1 2.98Å; D546-W577 VanDerWaalsContact OD2-NE1 3.09Å
547	E	92.9	Very high	88.4	Confident	18 Å²	18	74.3 Å²	74.3	8%	0.084	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-80	143.2	175.9	-77.9	-177.6	165.3	0	0	112.7	F540 R542 H543 D544 W577	F540-E547 HydrophobicContact CE1-CB 4.49Å; F540-E547 HydrophobicContact CZ-CG 4.37Å; R542-E547 WeakPolarHBondContact CD-O 3.08Å; R542-E547 HydrophobicContact CG-CB 4.02Å; R542-E547 VanDerWaalsContact CG-O 3.31Å; R542-E547 WeakPolarHBondContact CG-O 3.38Å; R542-E547 PolarHBondContact NE-O 2.83Å; R542-E547 VanDerWaalsContact NE-O 3.09Å; H543-E547 PolarHBondContact N-OE2 2.79Å; H543-E547 IonicContact ND1-OE2 3.84Å; D544-E547 HydrophobicContact CB-CG 4.28Å; D544-E547 PolarHBondContact N-OE2 2.84Å; D544-E547 PolarHBondContact O-N 2.94Å; E547-W577 HydrophobicContact CG-CD2 4.27Å; E547-W577 VanDerWaalsContact CG-CE2 3.43Å; E547-W577 HydrophobicContact CG-CH2 4.09Å; E547-W577 HydrophobicContact CG-CZ2 3.33Å; E547-W577 WeakPolarHBondContact OE1-CH2 3.35Å; E547-W577 WeakPolarHBondContact OE1-CZ2 3.39Å
548	L	94.9	Very high	88.5	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.005	35%	0.346	C	S	.	.			trans	-101.3	98.7	173.2	-177.8	65	0	0	0	110.7	F540 F550 I556 G569 V571 V574 W577 F578	F540-L548 VanDerWaalsContact CD1-O 3.24Å; F540-L548 WeakPolarHBondContact CD1-O 3.41Å; L548-F550 VanDerWaalsContact O-CD1 3.27Å; L548-F550 WeakPolarHBondContact O-CD1 3.45Å; L548-I556 HydrophobicContact CD2-CG2 3.89Å; L548-G569 VanDerWaalsContact CD2-C 3.43Å; L548-V571 HydrophobicContact CD1-CB 4.18Å; L548-V571 HydrophobicContact CD1-CG2 4.38Å; L548-V571 HydrophobicContact CD2-CG2 4.05Å; L548-V571 HydrophobicContact CG-CG2 4.33Å; L548-V574 HydrophobicContact CD1-CB 4.25Å; L548-V574 HydrophobicContact CD1-CG1 4.11Å; L548-V574 WeakPolarHBondContact CD1-O 3.28Å; L548-W577 PolarHBondContact N-O 3.3Å; L548-F578 HydrophobicContact CB-CD1 4.41Å; L548-F578 HydrophobicContact CD2-CD1 3.83Å; L548-F578 HydrophobicContact CD2-CE1 4.25Å
549	G	91.9	Very high	88.4	Confident	29 Å²	29	72.3 Å²	72.3	30%	0.299	35%	0.347	S	S	.	.			trans	-75.4	140.1	174.4	0	0	0	0	0	112.8	F540	F540-G549 CarbonylContact O-C 3.31Å; F540-G549 WeakPolarHBondContact O-CA 3.3Å
550	F	93.2	Very high	88.1	Confident	10 Å²	10	68.4 Å²	68.4	4%	0.044	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-150	162.2	177.7	52.1	-103.3	0	0	0	111.4	A536 V538 F540 L548 D554 I556 V571 F578 F582 V583	A536-F550 HydrophobicContact CB-CD2 3.3Å; A536-F550 HydrophobicContact CB-CE2 3.53Å; A536-F550 HydrophobicContact CB-CG 4.2Å; V538-F550 WeakPolarHBondContact O-CE2 3.37Å; F540-F550 HydrophobicContact CB-CD1 4.33Å; F540-F550 HydrophobicContact CB-CD2 3.96Å; F540-F550 HydrophobicContact CB-CE1 3.97Å; F540-F550 HydrophobicContact CB-CE2 3.56Å; F540-F550 HydrophobicContact CB-CG 4.34Å; F540-F550 HydrophobicContact CB-CZ 3.57Å; F540-F550 HydrophobicContact CD1-CD1 4.33Å; F540-F550 AromaticContact CD1-CE1 3.84Å; F540-F550 HydrophobicContact CD1-CE1 3.84Å; F540-F550 HydrophobicContact CD1-CZ 4.15Å; F540-F550 HydrophobicContact CG-CE1 4.31Å; F540-F550 HydrophobicContact CG-CZ 4.17Å; F540-F550 PolarHBondContact N-O 3.49Å; F540-F550 PolarHBondContact O-N 2.75Å; F540-F550 VanDerWaalsContact O-O 3.11Å; L548-F550 VanDerWaalsContact O-CD1 3.27Å; L548-F550 WeakPolarHBondContact O-CD1 3.45Å; F550-D554 HydrophobicContact CB-CB 4.07Å; F550-I556 HydrophobicContact CD1-CD1 3.44Å; F550-I556 VanDerWaalsContact CD1-CD1 3.44Å; F550-I556 HydrophobicContact CD1-CG1 4.23Å; F550-I556 HydrophobicContact CD2-CD1 4.15Å; F550-I556 HydrophobicContact CE1-CD1 3.45Å; F550-I556 VanDerWaalsContact CE1-CD1 3.45Å; F550-I556 HydrophobicContact CE2-CD1 4.17Å; F550-I556 HydrophobicContact CG-CD1 3.79Å; F550-I556 HydrophobicContact CG-CG1 4.43Å; F550-I556 HydrophobicContact CZ-CD1 3.84Å; F550-V571 HydrophobicContact CB-CG2 4.45Å; F550-F578 HydrophobicContact CE1-CB 3.53Å; F550-F578 HydrophobicContact CE1-CD2 4.06Å; F550-F578 AromaticContact CE1-CG 3.81Å; F550-F578 HydrophobicContact CE1-CG 3.81Å; F550-F578 HydrophobicContact CZ-CB 4.26Å; F550-F578 HydrophobicContact CZ-CD2 4.39Å; F550-F582 HydrophobicContact CE2-CB 4.44Å; F550-F582 HydrophobicContact CZ-CB 4.12Å; F550-V583 HydrophobicContact CZ-CG1 3.97Å
551	R	89.2	Confident	87.7	Confident	188 Å²	188	71.8 Å²	71.8	71%	0.709	34%	0.34	S	S	*	.			trans	-96.2	156.3	171.2	-64.3	-173.8	178.7	-172.2	-1.6	110.3	A536 D539 D553 D554	A536-R551 WeakPolarHBondContact CB-O 3.4Å; D539-R551 VanDerWaalsContact OD1-CA 3.28Å; D539-R551 WeakPolarHBondContact OD1-CA 3.33Å; R551-D553 PolarHBondContact O-N 3Å; R551-D554 PolarHBondContact N-OD2 3.03Å; R551-D554 WeakPolarHBondContact O-CB 3.1Å; R551-D554 PolarHBondContact O-N 3.37Å
552	K	85.2	Confident	87.1	Confident	118 Å²	118	74.4 Å²	74.4	51%	0.513	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	136.1	169.3	-178.8	179	174.6	-169.9	0	109.3	L537 D539 D554	L537-K552 WeakPolarHBondContact O-CG 3.24Å; D539-K552 WeakPolarHBondContact OD1-CB 3.36Å; D539-K552 PolarHBondContact OD1-N 3.2Å; K552-D554 PolarHBondContact O-N 3.49Å
553	D	79.6	Confident	86.7	Confident	49 Å²	49	72.5 Å²	72.5	26%	0.262	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	3.2	-177.1	-52.7	-53.9	0	0	0	115.8	A536 R551 P597	A536-D553 WeakPolarHBondContact O-CA 3.4Å; A536-D553 PolarHBondContact O-N 3.21Å; R551-D553 PolarHBondContact O-N 3Å; D553-P597 HydrophobicContact CB-CG 3.4Å; D553-P597 VanDerWaalsContact CB-CG 3.4Å
554	D	82.8	Confident	86.4	Confident	38 Å²	38	73.5 Å²	73.5	20%	0.203	35%	0.353	C	S	.	.			trans	-61.4	145.5	167.9	-80.7	-17.8	0	0	0	111.1	A536 F550 R551 K552	A536-D554 HydrophobicContact CB-CB 4.37Å; A536-D554 PolarHBondContact N-O 3.48Å; F550-D554 HydrophobicContact CB-CB 4.07Å; R551-D554 PolarHBondContact N-OD2 3.03Å; R551-D554 WeakPolarHBondContact O-CB 3.1Å; R551-D554 PolarHBondContact O-N 3.37Å; K552-D554 PolarHBondContact O-N 3.49Å
555	M	80.7	Confident	86.3	Confident	54 Å²	54	75 Å²	75	27%	0.266	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.1	173.9	-163.3	-172.4	-50.6	0	0	110.1	F533 Y593 F596 H761	F533-M555 HydrophobicContact CB-CG 4.38Å; F533-M555 HydrophobicContact CD1-CG 3.94Å; F533-M555 HydrophobicContact CD1-SD 3.72Å; F533-M555 HydrophobicContact CE1-SD 4.18Å; F533-M555 HydrophobicContact CG-SD 4.25Å; M555-Y593 HydrophobicContact CE-CD1 3.77Å; M555-Y593 HydrophobicContact CE-CE1 3.95Å; M555-Y593 HydrophobicContact SD-CD1 4.47Å; M555-Y593 HydrophobicContact SD-CE1 4.06Å; M555-F596 HydrophobicContact CB-CE1 4.07Å; M555-F596 HydrophobicContact CE-CD1 4.24Å; M555-F596 HydrophobicContact CE-CE1 4.11Å; M555-F596 HydrophobicContact CE-CZ 4.33Å; M555-F596 HydrophobicContact CG-CE1 4.11Å; M555-F596 HydrophobicContact CG-CZ 4.46Å; M555-H761 HydrophobicContact CE-CB 4.23Å; M555-H761 VanDerWaalsContact SD-CD2 3.57Å
556	I	86.4	Confident	86.4	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.8	-177	-54.2	168.3	0	0	0	108.3	F533 A534 A536 L548 F550 V558 V571 F578 V583	F533-I556 CarbonylContact C-O 3.55Å; F533-I556 WeakPolarHBondContact CA-O 3.37Å; A534-I556 PolarHBondContact N-O 3.48Å; A534-I556 PolarHBondContact O-N 3.37Å; A536-I556 HydrophobicContact CB-CD1 4.29Å; L548-I556 HydrophobicContact CD2-CG2 3.89Å; F550-I556 HydrophobicContact CD1-CD1 3.44Å; F550-I556 VanDerWaalsContact CD1-CD1 3.44Å; F550-I556 HydrophobicContact CD1-CG1 4.23Å; F550-I556 HydrophobicContact CD2-CD1 4.15Å; F550-I556 HydrophobicContact CE1-CD1 3.45Å; F550-I556 VanDerWaalsContact CE1-CD1 3.45Å; F550-I556 HydrophobicContact CE2-CD1 4.17Å; F550-I556 HydrophobicContact CG-CD1 3.79Å; F550-I556 HydrophobicContact CG-CG1 4.43Å; F550-I556 HydrophobicContact CZ-CD1 3.84Å; I556-V558 PolarHBondContact O-N 3.04Å; I556-V571 HydrophobicContact CB-CG2 4.16Å; I556-V571 HydrophobicContact CG1-CG2 3.7Å; I556-V571 HydrophobicContact CG2-CG2 4.17Å; I556-F578 HydrophobicContact CD1-CE2 4.47Å; I556-F578 HydrophobicContact CG2-CD1 4.24Å; I556-F578 HydrophobicContact CG2-CE1 3.56Å; I556-F578 HydrophobicContact CG2-CZ 3.8Å; I556-V583 HydrophobicContact CD1-CG1 3.51Å
557	T	85.9	Confident	86.5	Confident	23 Å²	23	66.2 Å²	66.2	14%	0.141	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	108.8	169.4	-53.8	0	0	0	0	107.9	Q531 K532 F533 I559 G569 E570	Q531-T557 HydrophobicContact CB-CG2 3.73Å; Q531-T557 VanDerWaalsContact CD-CG2 3.43Å; Q531-T557 HydrophobicContact CG-CG2 3.91Å; K532-T557 CarbonylContact O-C 3.57Å; F533-T557 HydrophobicContact CE1-CG2 4.44Å; T557-I559 PolarHBondContact O-N 2.95Å; T557-G569 CarbonylContact O-C 3.6Å; T557-G569 WeakPolarHBondContact O-CA 3.26Å; T557-E570 PolarHBondContact N-O 3.17Å; T557-E570 PolarHBondContact O-N 2.83Å
558	V	86.1	Confident	86.4	Confident	9 Å²	9	69 Å²	69	6%	0.055	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	110.9	178.3	-174.7	0	0	0	0	109.3	K532 A534 I556 R561 W567 F578	K532-V558 HydrophobicContact CB-CB 4.03Å; K532-V558 WeakPolarHBondContact O-CA 3.47Å; K532-V558 WeakPolarHBondContact O-CB 3.43Å; K532-V558 PolarHBondContact O-N 3.22Å; A534-V558 HydrophobicContact CB-CG2 3.55Å; I556-V558 PolarHBondContact O-N 3.04Å; V558-R561 HydrophobicContact CG1-CG 3.52Å; V558-W567 HydrophobicContact CG1-CE3 4.23Å; V558-W567 HydrophobicContact CG2-CE3 4.36Å; V558-F578 HydrophobicContact CG2-CZ 4.31Å
559	I	85.1	Confident	86.3	Confident	76 Å²	76	69 Å²	69	39%	0.39	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-40	179.5	-64.2	171.5	0	0	0	110.6	T557 I568 E570 R575	T557-I559 PolarHBondContact O-N 2.95Å; I559-I568 WeakPolarHBondContact CA-O 3.5Å; I559-I568 HydrophobicContact CB-CG2 4.33Å; I559-I568 WeakPolarHBondContact CB-O 3.07Å; I559-I568 PolarHBondContact N-O 2.9Å; I559-E570 HydrophobicContact CD1-CB 3.98Å; I559-R575 HydrophobicContact CD1-CG 3.97Å
560	S	84.5	Confident	86.2	Confident	27 Å²	27	69.7 Å²	69.7	19%	0.189	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	131.4	-178.2	-159	0	0	0	0	112.6	K562 W567 I568	S560-K562 WeakPolarHBondContact OG-CG 3.11Å; S560-W567 WeakPolarHBondContact O-CA 3.49Å; S560-W567 WeakPolarHBondContact O-CB 3.13Å; S560-I568 PolarHBondContact N-O 2.85Å; S560-I568 PolarHBondContact O-N 3.44Å
561	R	84.7	Confident	85.8	Confident	97 Å²	97	70 Å²	70	37%	0.366	33%	0.328	S	S	.	.			trans	-111.7	25.3	172.2	-55.7	-175.3	-62.6	166.4	7.1	111.9	V558 D563 W567 D671	V558-R561 HydrophobicContact CG1-CG 3.52Å; R561-D563 PolarHBondContact O-N 3.23Å; R561-W567 HydrophobicContact CB-CG 4.47Å; R561-W567 HydrophobicContact CG-CD2 4Å; R561-W567 HydrophobicContact CG-CE3 4.45Å; R561-W567 HydrophobicContact CG-CG 4.24Å; R561-W567 HydrophobicContact CG-CZ2 4.44Å; R561-D671 IonicContact CZ-OD2 3.22Å; R561-D671 IonicContact NH1-OD2 3.4Å; R561-D671 IonicContact NH2-OD2 2.88Å; R561-D671 PolarHBondContact NH2-OD2 3.02Å
562	K	80.9	Confident	85.3	Confident	200 Å²	200	70 Å²	70	87%	0.87	33%	0.333	S	S	*	.			trans	-62.3	-28.7	-174.9	-80.7	-179.2	178.7	-179	0	113	S560	S560-K562 WeakPolarHBondContact OG-CG 3.11Å
563	D	82.3	Confident	85	Confident	80 Å²	80	67.1 Å²	67.1	43%	0.428	34%	0.337	S	S	.	.	S	Bend	trans	-106.5	136	175.7	-179.2	-62.1	0	0	0	108.9	R561 H565 C566 W567	R561-D563 PolarHBondContact O-N 3.23Å; D563-H565 VanDerWaalsContact C-N 3.25Å; D563-H565 PolarHBondContact O-N 3.15Å; D563-H565 WeakPolarHBondContact OD1-CA 3.4Å; D563-H565 PolarHBondContact OD1-N 3.4Å; D563-C566 WeakPolarHBondContact CB-O 3.42Å; D563-C566 PolarHBondContact OD1-N 2.83Å; D563-W567 PolarHBondContact O-NE1 3.46Å
564	E	82.1	Confident	85.3	Confident	160 Å²	160	67.6 Å²	67.6	75%	0.748	34%	0.342	S	S	*	.	S	Bend	trans	-69.8	-24.6	-175	-169.8	178.9	165.8	0	0	112.4	A580	E564-A580 WeakPolarHBondContact O-CB 3.35Å
565	H	86.1	Confident	85.8	Confident	128 Å²	128	73 Å²	73	59%	0.593	36%	0.36	S	S	*	.	S	Bend	trans	-107.4	-29.5	-174.1	-58.9	-37.3	0	0	0	112.8	D563 P579 A580	D563-H565 VanDerWaalsContact C-N 3.25Å; D563-H565 PolarHBondContact O-N 3.15Å; D563-H565 WeakPolarHBondContact OD1-CA 3.4Å; D563-H565 PolarHBondContact OD1-N 3.4Å; H565-P579 CarbonylContact O-C 3.55Å; H565-P579 WeakPolarHBondContact O-CA 3.27Å; H565-A580 PolarHBondContact O-N 3.21Å
566	C	89.6	Confident	86.4	Confident	48 Å²	48	70.9 Å²	70.9	32%	0.324	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	112.2	-175.6	-59.5	0	0	0	0	111.2	D563 W577 F578	D563-C566 WeakPolarHBondContact CB-O 3.42Å; D563-C566 PolarHBondContact OD1-N 2.83Å; C566-W577 HydrophobicContact CB-CE3 4.06Å; C566-F578 CarbonylContact C-O 3.55Å; C566-F578 WeakPolarHBondContact CA-O 3.44Å
567	W	93	Very high	86.8	Confident	37 Å²	37	74.2 Å²	74.2	14%	0.14	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	152.5	176.7	-66.1	-7.4	0	0	0	110.7	V558 S560 R561 D563 W577 F578 A580 V583 L585	V558-W567 HydrophobicContact CG1-CE3 4.23Å; V558-W567 HydrophobicContact CG2-CE3 4.36Å; S560-W567 WeakPolarHBondContact O-CA 3.49Å; S560-W567 WeakPolarHBondContact O-CB 3.13Å; R561-W567 HydrophobicContact CB-CG 4.47Å; R561-W567 HydrophobicContact CG-CD2 4Å; R561-W567 HydrophobicContact CG-CE3 4.45Å; R561-W567 HydrophobicContact CG-CG 4.24Å; R561-W567 HydrophobicContact CG-CZ2 4.44Å; D563-W567 PolarHBondContact O-NE1 3.46Å; W567-W577 CarbonylContact O-C 3.49Å; W567-W577 WeakPolarHBondContact O-CA 3.36Å; W567-F578 HydrophobicContact CB-CD2 4.44Å; W567-F578 HydrophobicContact CB-CE1 4Å; W567-F578 HydrophobicContact CB-CE2 3.78Å; W567-F578 HydrophobicContact CB-CZ 3.54Å; W567-F578 HydrophobicContact CD2-CE2 4.47Å; W567-F578 AromaticContact CE3-CE2 3.91Å; W567-F578 HydrophobicContact CE3-CE2 3.91Å; W567-F578 HydrophobicContact CE3-CZ 4.07Å; W567-F578 HydrophobicContact CG-CE2 4.48Å; W567-F578 HydrophobicContact CG-CZ 4.49Å; W567-F578 PolarHBondContact N-O 2.97Å; W567-F578 WeakPolarHBondContact O-CD1 3.4Å; W567-F578 PolarHBondContact O-N 3.42Å; W567-A580 HydrophobicContact CD2-CB 3.71Å; W567-A580 HydrophobicContact CE3-CB 4.34Å; W567-A580 HydrophobicContact CG-CB 4.01Å; W567-A580 HydrophobicContact CH2-CB 4.36Å; W567-A580 HydrophobicContact CZ2-CB 3.75Å; W567-V583 HydrophobicContact CE3-CG2 3.66Å; W567-V583 HydrophobicContact CH2-CG2 4.39Å; W567-V583 HydrophobicContact CZ3-CG2 3.41Å; W567-V583 VanDerWaalsContact CZ3-CG2 3.41Å; W567-L585 HydrophobicContact CH2-CD1 4.25Å; W567-L585 HydrophobicContact CZ3-CD1 4.03Å
568	I	91.1	Very high	87.2	Confident	78 Å²	78	73.1 Å²	73.1	40%	0.4	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.3	171.6	-57	175.4	0	0	0	107.6	I559 S560 G576	I559-I568 WeakPolarHBondContact CA-O 3.5Å; I559-I568 HydrophobicContact CB-CG2 4.33Å; I559-I568 WeakPolarHBondContact CB-O 3.07Å; I559-I568 PolarHBondContact N-O 2.9Å; S560-I568 PolarHBondContact N-O 2.85Å; S560-I568 PolarHBondContact O-N 3.44Å; I568-G576 WeakPolarHBondContact CA-O 3.42Å
569	G	92.1	Very high	87.6	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	-170.1	175.2	0	0	0	0	0	114.3	L548 T557 R575 G576	L548-G569 VanDerWaalsContact CD2-C 3.43Å; T557-G569 CarbonylContact O-C 3.6Å; T557-G569 WeakPolarHBondContact O-CA 3.26Å; G569-R575 VanDerWaalsContact O-CA 3.3Å; G569-R575 WeakPolarHBondContact O-CA 3.17Å; G569-G576 PolarHBondContact N-O 2.81Å; G569-G576 PolarHBondContact O-N 2.74Å; G569-G576 VanDerWaalsContact O-N 3.13Å
570	E	88.8	Confident	87.7	Confident	44 Å²	44	70.4 Å²	70.4	21%	0.206	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	134.8	-177.6	-168.3	177.7	152.2	0	0	111.4	T557 I559 G573 V574 R575	T557-E570 PolarHBondContact N-O 3.17Å; T557-E570 PolarHBondContact O-N 2.83Å; I559-E570 HydrophobicContact CD1-CB 3.98Å; E570-G573 WeakPolarHBondContact OE1-CA 3.41Å; E570-V574 CarbonylContact C-O 3.43Å; E570-V574 VanDerWaalsContact CA-O 3.22Å; E570-V574 WeakPolarHBondContact CA-O 3.28Å; E570-V574 WeakPolarHBondContact CG-O 3.45Å; E570-R575 HydrophobicContact CB-CG 3.91Å; E570-R575 HydrophobicContact CG-CG 3.75Å; E570-R575 IonicContact OE2-CZ 2.81Å; E570-R575 VanDerWaalsContact OE2-CZ 3.25Å; E570-R575 IonicContact OE2-NE 3.6Å; E570-R575 PolarHBondContact OE2-NE 3Å; E570-R575 IonicContact OE2-NH2 2.62Å; E570-R575 PolarHBondContact OE2-NH2 3.27Å
571	V	84.5	Confident	88	Confident	15 Å²	15	76.9 Å²	76.9	9%	0.091	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	124.5	171	177.1	0	0	0	0	108	L548 F550 I556 G573 V574	L548-V571 HydrophobicContact CD1-CB 4.18Å; L548-V571 HydrophobicContact CD1-CG2 4.38Å; L548-V571 HydrophobicContact CD2-CG2 4.05Å; L548-V571 HydrophobicContact CG-CG2 4.33Å; F550-V571 HydrophobicContact CB-CG2 4.45Å; I556-V571 HydrophobicContact CB-CG2 4.16Å; I556-V571 HydrophobicContact CG1-CG2 3.7Å; I556-V571 HydrophobicContact CG2-CG2 4.17Å; V571-G573 PolarHBondContact O-N 3.29Å; V571-G573 VanDerWaalsContact O-N 3.13Å; V571-V574 PolarHBondContact N-O 3.42Å; V571-V574 PolarHBondContact O-N 3.43Å
572	K	79.2	Confident	88.3	Confident	188 Å²	188	75 Å²	75	82%	0.817	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	39	175.8	-62.2	171.6	-179.2	164.3	0	113.8	V574	K572-V574 VanDerWaalsContact C-N 3.3Å; K572-V574 PolarHBondContact O-N 3.33Å
573	G	79.7	Confident	88.7	Confident	58 Å²	58	66 Å²	66	60%	0.598	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-4.1	-180	0	0	0	0	0	115.5	E570 V571	E570-G573 WeakPolarHBondContact OE1-CA 3.41Å; V571-G573 PolarHBondContact O-N 3.29Å; V571-G573 VanDerWaalsContact O-N 3.13Å
574	V	86.6	Confident	88.7	Confident	60 Å²	60	65.6 Å²	65.6	36%	0.364	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.2	175.1	-177.7	0	0	0	0	108.8	L548 E570 V571 K572	L548-V574 HydrophobicContact CD1-CB 4.25Å; L548-V574 HydrophobicContact CD1-CG1 4.11Å; L548-V574 WeakPolarHBondContact CD1-O 3.28Å; E570-V574 CarbonylContact C-O 3.43Å; E570-V574 VanDerWaalsContact CA-O 3.22Å; E570-V574 WeakPolarHBondContact CA-O 3.28Å; E570-V574 WeakPolarHBondContact CG-O 3.45Å; V571-V574 PolarHBondContact N-O 3.42Å; V571-V574 PolarHBondContact O-N 3.43Å; K572-V574 VanDerWaalsContact C-N 3.3Å; K572-V574 PolarHBondContact O-N 3.33Å
575	R	91.5	Very high	88.4	Confident	152 Å²	152	60.3 Å²	60.3	57%	0.574	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	145.8	176	-70.4	-176	176.6	-179.7	-0.3	111.1	I559 G569 E570	I559-R575 HydrophobicContact CD1-CG 3.97Å; G569-R575 VanDerWaalsContact O-CA 3.3Å; G569-R575 WeakPolarHBondContact O-CA 3.17Å; E570-R575 HydrophobicContact CB-CG 3.91Å; E570-R575 HydrophobicContact CG-CG 3.75Å; E570-R575 IonicContact OE2-CZ 2.81Å; E570-R575 VanDerWaalsContact OE2-CZ 3.25Å; E570-R575 IonicContact OE2-NE 3.6Å; E570-R575 PolarHBondContact OE2-NE 3Å; E570-R575 IonicContact OE2-NH2 2.62Å; E570-R575 PolarHBondContact OE2-NH2 3.27Å
576	G	93.5	Very high	87.5	Confident	9 Å²	9	55.8 Å²	55.8	9%	0.093	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	177	174.3	0	0	0	0	0	111.7	D546 I568 G569	D546-G576 CarbonylContact O-C 3.54Å; D546-G576 WeakPolarHBondContact O-CA 3.26Å; I568-G576 WeakPolarHBondContact CA-O 3.42Å; G569-G576 PolarHBondContact N-O 2.81Å; G569-G576 PolarHBondContact O-N 2.74Å; G569-G576 VanDerWaalsContact O-N 3.13Å
577	W	94.8	Very high	86.1	Confident	70 Å²	70	57.4 Å²	57.4	27%	0.265	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	154	173.3	73.6	-93.7	0	0	0	111.4	F540 D546 E547 L548 C566 W567 P579	F540-W577 HydrophobicContact CZ-CH2 4.46Å; F540-W577 HydrophobicContact CZ-CZ3 4.46Å; D546-W577 PolarHBondContact O-N 3.1Å; D546-W577 PolarHBondContact OD2-NE1 2.98Å; D546-W577 VanDerWaalsContact OD2-NE1 3.09Å; E547-W577 HydrophobicContact CG-CD2 4.27Å; E547-W577 VanDerWaalsContact CG-CE2 3.43Å; E547-W577 HydrophobicContact CG-CH2 4.09Å; E547-W577 HydrophobicContact CG-CZ2 3.33Å; E547-W577 WeakPolarHBondContact OE1-CH2 3.35Å; E547-W577 WeakPolarHBondContact OE1-CZ2 3.39Å; L548-W577 PolarHBondContact N-O 3.3Å; C566-W577 HydrophobicContact CB-CE3 4.06Å; W567-W577 CarbonylContact O-C 3.49Å; W567-W577 WeakPolarHBondContact O-CA 3.36Å; W577-P579 HydrophobicContact CZ3-CG 4.26Å
578	F	94.8	Very high	84.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	157.6	174.3	61.2	-88.1	0	0	0	112	F540 L548 F550 I556 V558 C566 W567 A580 V583	F540-F578 HydrophobicContact CD1-CB 4.14Å; F540-F578 HydrophobicContact CE1-CB 4.09Å; L548-F578 HydrophobicContact CB-CD1 4.41Å; L548-F578 HydrophobicContact CD2-CD1 3.83Å; L548-F578 HydrophobicContact CD2-CE1 4.25Å; F550-F578 HydrophobicContact CE1-CB 3.53Å; F550-F578 HydrophobicContact CE1-CD2 4.06Å; F550-F578 AromaticContact CE1-CG 3.81Å; F550-F578 HydrophobicContact CE1-CG 3.81Å; F550-F578 HydrophobicContact CZ-CB 4.26Å; F550-F578 HydrophobicContact CZ-CD2 4.39Å; I556-F578 HydrophobicContact CD1-CE2 4.47Å; I556-F578 HydrophobicContact CG2-CD1 4.24Å; I556-F578 HydrophobicContact CG2-CE1 3.56Å; I556-F578 HydrophobicContact CG2-CZ 3.8Å; V558-F578 HydrophobicContact CG2-CZ 4.31Å; C566-F578 CarbonylContact C-O 3.55Å; C566-F578 WeakPolarHBondContact CA-O 3.44Å; W567-F578 HydrophobicContact CB-CD2 4.44Å; W567-F578 HydrophobicContact CB-CE1 4Å; W567-F578 HydrophobicContact CB-CE2 3.78Å; W567-F578 HydrophobicContact CB-CZ 3.54Å; W567-F578 HydrophobicContact CD2-CE2 4.47Å; W567-F578 AromaticContact CE3-CE2 3.91Å; W567-F578 HydrophobicContact CE3-CE2 3.91Å; W567-F578 HydrophobicContact CE3-CZ 4.07Å; W567-F578 HydrophobicContact CG-CE2 4.48Å; W567-F578 HydrophobicContact CG-CZ 4.49Å; W567-F578 PolarHBondContact N-O 2.97Å; W567-F578 WeakPolarHBondContact O-CD1 3.4Å; W567-F578 PolarHBondContact O-N 3.42Å; F578-A580 PolarHBondContact O-N 3.05Å; F578-V583 HydrophobicContact CD2-CG1 3.7Å; F578-V583 HydrophobicContact CD2-CG2 4.41Å; F578-V583 HydrophobicContact CE2-CB 4.23Å; F578-V583 HydrophobicContact CE2-CG1 3.52Å; F578-V583 HydrophobicContact CE2-CG2 3.63Å
579	P	94.2	Very high	82.9	Confident	16 Å²	16	55.3 Å²	55.3	10%	0.104	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	124.3	178.4	-20.9	33.6	0	0	0	112.6	F540 H565 W577 K581 F582	F540-P579 HydrophobicContact CD2-CG 4.43Å; F540-P579 HydrophobicContact CE2-CG 4Å; F540-P579 HydrophobicContact CZ-CG 4.14Å; H565-P579 CarbonylContact O-C 3.55Å; H565-P579 WeakPolarHBondContact O-CA 3.27Å; W577-P579 HydrophobicContact CZ3-CG 4.26Å; P579-K581 HydrophobicContact CB-CG 4.03Å; P579-K581 PolarHBondContact O-N 2.94Å; P579-F582 HydrophobicContact CB-CB 4.45Å; P579-F582 HydrophobicContact CB-CD1 3.86Å; P579-F582 HydrophobicContact CB-CE1 4.26Å; P579-F582 HydrophobicContact CB-CG 4.03Å; P579-F582 HydrophobicContact CG-CD1 3.67Å; P579-F582 HydrophobicContact CG-CE1 3.84Å; P579-F582 HydrophobicContact CG-CG 4.36Å; P579-F582 WeakPolarHBondContact O-CB 3.42Å; P579-F582 PolarHBondContact O-N 3.32Å
580	A	88.6	Confident	81.7	Confident	11 Å²	11	56 Å²	56	9%	0.091	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-55.3	-36.8	178.3	0	0	0	0	0	112.8	E564 H565 W567 F578 F582 V583	E564-A580 WeakPolarHBondContact O-CB 3.35Å; H565-A580 PolarHBondContact O-N 3.21Å; W567-A580 HydrophobicContact CD2-CB 3.71Å; W567-A580 HydrophobicContact CE3-CB 4.34Å; W567-A580 HydrophobicContact CG-CB 4.01Å; W567-A580 HydrophobicContact CH2-CB 4.36Å; W567-A580 HydrophobicContact CZ2-CB 3.75Å; F578-A580 PolarHBondContact O-N 3.05Å; A580-F582 PolarHBondContact O-N 2.99Å; A580-V583 VanDerWaalsContact O-CG2 3.29Å; A580-V583 WeakPolarHBondContact O-CG2 3.48Å; A580-V583 PolarHBondContact O-N 2.74Å
581	K	90.7	Very high	80.7	Confident	163 Å²	163	54.7 Å²	54.7	71%	0.709	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-64.7	-16.5	178	64.4	175.8	-179.3	-177.1	0	114.8	P579 V583	P579-K581 HydrophobicContact CB-CG 4.03Å; P579-K581 PolarHBondContact O-N 2.94Å; K581-V583 VanDerWaalsContact C-N 3.28Å
582	F	91.4	Very high	79.8	Confident	57 Å²	57	55.4 Å²	55.4	25%	0.25	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-89.5	1	-179.9	-71.4	174.9	0	0	0	112.6	L537 V538 F540 F550 P579 A580	L537-F582 WeakPolarHBondContact CB-O 3.48Å; L537-F582 PolarHBondContact N-O 2.87Å; V538-F582 HydrophobicContact CG2-CB 3.67Å; V538-F582 HydrophobicContact CG2-CD1 3.96Å; V538-F582 HydrophobicContact CG2-CD2 3.57Å; V538-F582 HydrophobicContact CG2-CE1 4.48Å; V538-F582 HydrophobicContact CG2-CE2 4.14Å; V538-F582 HydrophobicContact CG2-CG 3.47Å; V538-F582 VanDerWaalsContact CG2-CG 3.47Å; F540-F582 HydrophobicContact CB-CD1 4.17Å; F540-F582 AromaticContact CD2-CD1 3.82Å; F540-F582 HydrophobicContact CD2-CD1 3.82Å; F540-F582 AromaticContact CD2-CE1 3.69Å; F540-F582 HydrophobicContact CD2-CE1 3.69Å; F540-F582 HydrophobicContact CE2-CE1 4.26Å; F540-F582 HydrophobicContact CG-CD1 4.12Å; F540-F582 HydrophobicContact CG-CE1 4.43Å; F550-F582 HydrophobicContact CE2-CB 4.44Å; F550-F582 HydrophobicContact CZ-CB 4.12Å; P579-F582 HydrophobicContact CB-CB 4.45Å; P579-F582 HydrophobicContact CB-CD1 3.86Å; P579-F582 HydrophobicContact CB-CE1 4.26Å; P579-F582 HydrophobicContact CB-CG 4.03Å; P579-F582 HydrophobicContact CG-CD1 3.67Å; P579-F582 HydrophobicContact CG-CE1 3.84Å; P579-F582 HydrophobicContact CG-CG 4.36Å; P579-F582 WeakPolarHBondContact O-CB 3.42Å; P579-F582 PolarHBondContact O-N 3.32Å; A580-F582 PolarHBondContact O-N 2.99Å
583	V	88.6	Confident	79.2	Confident	11 Å²	11	47 Å²	47	7%	0.067	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	154.8	-177.9	-50.4	0	0	0	0	110.8	A534 R535 F550 I556 W567 F578 A580 K581	A534-V583 HydrophobicContact CB-CB 3.8Å; A534-V583 HydrophobicContact CB-CG2 3.7Å; R535-V583 CarbonylContact O-C 3.42Å; R535-V583 WeakPolarHBondContact O-CA 3.4Å; R535-V583 WeakPolarHBondContact O-CB 3.42Å; F550-V583 HydrophobicContact CZ-CG1 3.97Å; I556-V583 HydrophobicContact CD1-CG1 3.51Å; W567-V583 HydrophobicContact CE3-CG2 3.66Å; W567-V583 HydrophobicContact CH2-CG2 4.39Å; W567-V583 HydrophobicContact CZ3-CG2 3.41Å; W567-V583 VanDerWaalsContact CZ3-CG2 3.41Å; F578-V583 HydrophobicContact CD2-CG1 3.7Å; F578-V583 HydrophobicContact CD2-CG2 4.41Å; F578-V583 HydrophobicContact CE2-CB 4.23Å; F578-V583 HydrophobicContact CE2-CG1 3.52Å; F578-V583 HydrophobicContact CE2-CG2 3.63Å; A580-V583 VanDerWaalsContact O-CG2 3.29Å; A580-V583 WeakPolarHBondContact O-CG2 3.48Å; A580-V583 PolarHBondContact O-N 2.74Å; K581-V583 VanDerWaalsContact C-N 3.28Å
584	E	81.9	Confident	78.3	Confident	73 Å²	73	46.3 Å²	46.3	34%	0.341	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.8	168.6	179.1	178.2	-157.7	0	0	107.6	A534 R535 L537 L586	A534-E584 CarbonylContact C-O 3.15Å; A534-E584 VanDerWaalsContact CA-O 3.26Å; A534-E584 WeakPolarHBondContact CA-O 3.38Å; R535-E584 IonicContact CZ-OE2 3.4Å; R535-E584 PolarHBondContact N-O 3.27Å; R535-E584 IonicContact NE-OE2 3.67Å; R535-E584 IonicContact NH2-OE2 3.19Å; R535-E584 PolarHBondContact NH2-OE2 3.06Å; R535-E584 PolarHBondContact O-N 3.25Å; L537-E584 HydrophobicContact CD1-CB 4.23Å; L537-E584 HydrophobicContact CD2-CB 3.88Å; L537-E584 HydrophobicContact CG-CB 4.15Å; E584-L586 PolarHBondContact O-N 2.91Å
585	L	75.2	Confident	76.7	Confident	48 Å²	48	47 Å²	47	25%	0.251	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	129.7	174.6	-160.9	90.2	0	0	0	108.6	W567 S587	W567-L585 HydrophobicContact CH2-CD1 4.25Å; W567-L585 HydrophobicContact CZ3-CD1 4.03Å; L585-S587 PolarHBondContact O-N 3.04Å
586	L	68	Low	75.2	Confident	33 Å²	33	41.5 Å²	41.5	17%	0.173	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-71.8	130	171.5	-62.7	176.8	0	0	0	108.4	F533 R535 E584 D588 Y593 F596	F533-L586 HydrophobicContact CB-CD1 3.63Å; F533-L586 HydrophobicContact CB-CG 4.35Å; F533-L586 WeakPolarHBondContact O-CB 3.48Å; F533-L586 PolarHBondContact O-N 3.44Å; R535-L586 HydrophobicContact CB-CD2 4.46Å; E584-L586 PolarHBondContact O-N 2.91Å; L586-D588 PolarHBondContact O-N 3.35Å; L586-Y593 HydrophobicContact CD1-CD1 4.24Å; L586-Y593 HydrophobicContact CD1-CE1 3.8Å; L586-F596 HydrophobicContact CD1-CE2 3.92Å; L586-F596 HydrophobicContact CD1-CZ 3.47Å; L586-F596 VanDerWaalsContact CD1-CZ 3.47Å; L586-F596 HydrophobicContact CD2-CE2 3.94Å; L586-F596 HydrophobicContact CD2-CZ 3.7Å; L586-F596 HydrophobicContact CG-CZ 4.11Å
587	S	60	Low	73.2	Confident	83 Å²	83	44.9 Å²	44.9	58%	0.58	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-58.3	126.3	175.2	74.4	0	0	0	0	109.2	L585 Q589	L585-S587 PolarHBondContact O-N 3.04Å; S587-Q589 PolarHBondContact O-N 2.9Å
588	D	56.8	Low	71.3	Confident	40 Å²	40	47.5 Å²	47.5	21%	0.214	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-13.8	-173.5	-75.7	-50.2	0	0	0	115.5	K532 L586	K532-D588 WeakPolarHBondContact CD-OD1 3.44Å; K532-D588 WeakPolarHBondContact CE-OD1 3.41Å; K532-D588 IonicContact NZ-OD1 2.82Å; K532-D588 PolarHBondContact NZ-OD1 3.23Å; K532-D588 IonicContact NZ-OD2 3.13Å; K532-D588 PolarHBondContact NZ-OD2 2.97Å; L586-D588 PolarHBondContact O-N 3.35Å
589	Q	61	Low	69.6	Low	31 Å²	31	51.5 Å²	51.5	15%	0.145	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	0.2	-150.4	-64.3	-176.8	-0.9	0	0	115.3	S587 E670 L675 L680	S587-Q589 PolarHBondContact O-N 2.9Å; Q589-E670 PolarHBondContact NE2-OE2 2.74Å; Q589-E670 PolarHBondContact OE1-OE2 3.11Å; Q589-L675 HydrophobicContact CB-CD1 3.82Å; Q589-L675 HydrophobicContact CG-CD1 4.06Å; Q589-L675 HydrophobicContact CG-CG 4.44Å; Q589-L680 WeakPolarHBondContact O-CD2 3.35Å
590	L	65.3	Low	68	Low	13 Å²	13	55 Å²	55	7%	0.068	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.2	0.5	167	-90.1	178.7	0	0	0	113.1	D592 K683 A684 Y687 L709 E713	L590-D592 PolarHBondContact O-N 3.38Å; L590-K683 HydrophobicContact CD1-CD 4.05Å; L590-K683 HydrophobicContact CD1-CG 3.81Å; L590-K683 HydrophobicContact CD2-CB 4.47Å; L590-K683 HydrophobicContact CD2-CG 4.4Å; L590-K683 HydrophobicContact CG-CD 3.88Å; L590-K683 HydrophobicContact CG-CG 4.05Å; L590-A684 HydrophobicContact CD2-CB 3.89Å; L590-Y687 HydrophobicContact CD1-CD1 4.31Å; L590-Y687 HydrophobicContact CD1-CD2 4.28Å; L590-Y687 HydrophobicContact CD1-CG 3.86Å; L590-L709 HydrophobicContact CD2-CD1 4.49Å; L590-L709 WeakPolarHBondContact O-CD2 3.35Å; L590-E713 WeakPolarHBondContact CA-OE1 3.18Å; L590-E713 PolarHBondContact N-OE1 3.15Å
591	R	68.2	Low	67	Low	18 Å²	18	58 Å²	58	7%	0.068	32%	0.317	C	S	.	.			trans	29	57.3	-179	-65.3	174.7	-165.6	-166.8	1.4	113	H527 S530 Y593 N712 E713	H527-R591 PolarHBondContact NE2-NH2 2.89Å; S530-R591 PolarHBondContact OG-NH2 3.13Å; R591-Y593 HydrophobicContact CB-CE2 3.78Å; R591-Y593 WeakPolarHBondContact O-CD2 3.33Å; R591-Y593 WeakPolarHBondContact O-CE2 3.5Å; R591-N712 HydrophobicContact CB-CB 4Å; R591-N712 VanDerWaalsContact CD-O 3.24Å; R591-N712 WeakPolarHBondContact CD-O 3.38Å; R591-N712 PolarHBondContact NH1-O 3.47Å; R591-N712 VanDerWaalsContact NH1-O 3.15Å; R591-N712 PolarHBondContact O-ND2 3.45Å; R591-E713 WeakPolarHBondContact CB-OE1 3.29Å; R591-E713 VanDerWaalsContact CG-OE1 3.28Å; R591-E713 WeakPolarHBondContact CG-OE1 3.5Å; R591-E713 PolarHBondContact N-OE1 3.28Å; R591-E713 IonicContact NE-OE2 2.75Å; R591-E713 PolarHBondContact NE-OE2 3.26Å
592	D	65.5	Low	66.1	Low	30 Å²	30	51.8 Å²	51.8	16%	0.16	29%	0.294	C	S	.	.			trans	-91.2	110	-178.6	-176.1	10.6	0	0	0	110.7	L590 S594 Y687 L709 S764	L590-D592 PolarHBondContact O-N 3.38Å; D592-S594 VanDerWaalsContact C-N 3.31Å; D592-S594 VanDerWaalsContact CG-OG 3.32Å; D592-S594 PolarHBondContact O-N 3.38Å; D592-S594 WeakPolarHBondContact OD1-CB 3.5Å; D592-S594 PolarHBondContact OD1-N 2.95Å; D592-S594 VanDerWaalsContact OD1-N 3.08Å; D592-S594 PolarHBondContact OD1-OG 2.98Å; D592-S594 PolarHBondContact OD2-OG 3.3Å; D592-Y687 VanDerWaalsContact OD2-CE1 3.28Å; D592-Y687 WeakPolarHBondContact OD2-CE1 3.12Å; D592-Y687 VanDerWaalsContact OD2-CZ 3.22Å; D592-Y687 PolarHBondContact OD2-OH 2.68Å; D592-L709 HydrophobicContact CB-CD2 4.32Å; D592-S764 WeakPolarHBondContact OD1-CB 2.93Å; D592-S764 PolarHBondContact OD1-N 3.03Å; D592-S764 VanDerWaalsContact OD1-N 3.12Å; D592-S764 PolarHBondContact OD1-OG 3.22Å; D592-S764 PolarHBondContact OD2-OG 3.16Å
593	Y	66.3	Low	65.5	Low	11 Å²	11	53.8 Å²	53.8	4%	0.043	31%	0.305	C	S	.	.			trans	-92.8	21.2	-177.3	-55.6	-85.9	0	0	0	113.3	M555 L586 R591 S595 F596 N712 F760 H761	M555-Y593 HydrophobicContact CE-CD1 3.77Å; M555-Y593 HydrophobicContact CE-CE1 3.95Å; M555-Y593 HydrophobicContact SD-CD1 4.47Å; M555-Y593 HydrophobicContact SD-CE1 4.06Å; L586-Y593 HydrophobicContact CD1-CD1 4.24Å; L586-Y593 HydrophobicContact CD1-CE1 3.8Å; R591-Y593 HydrophobicContact CB-CE2 3.78Å; R591-Y593 WeakPolarHBondContact O-CD2 3.33Å; R591-Y593 WeakPolarHBondContact O-CE2 3.5Å; Y593-S595 PolarHBondContact O-N 3.48Å; Y593-F596 AromaticContact CD1-CD2 3.9Å; Y593-F596 HydrophobicContact CD1-CD2 3.9Å; Y593-F596 AromaticContact CD1-CE2 3.52Å; Y593-F596 HydrophobicContact CD1-CE2 3.52Å; Y593-F596 HydrophobicContact CD1-CZ 4.14Å; Y593-F596 HydrophobicContact CE1-CE2 4.42Å; Y593-F596 HydrophobicContact CG-CD2 4.31Å; Y593-F596 HydrophobicContact CG-CE2 4.25Å; Y593-F596 WeakPolarHBondContact O-CD2 3.48Å; Y593-F596 PolarHBondContact O-N 3.45Å; Y593-N712 WeakPolarHBondContact CD2-ND2 3.22Å; Y593-N712 HydrophobicContact CE2-CB 4.22Å; Y593-F760 WeakPolarHBondContact CE2-O 3.32Å; Y593-H761 HydrophobicContact CD1-CB 4.31Å; Y593-H761 VanDerWaalsContact CD2-CA 3.43Å; Y593-H761 HydrophobicContact CD2-CB 4.16Å; Y593-H761 AromaticContact CE1-CD2 3.54Å; Y593-H761 HydrophobicContact CE2-CB 4.32Å; Y593-H761 HydrophobicContact CG-CB 4.15Å; Y593-H761 AromaticContact CZ-CD2 3.47Å; Y593-H761 VanDerWaalsContact CZ-CD2 3.47Å
594	S	62.4	Low	65.2	Low	44 Å²	44	58.6 Å²	58.6	31%	0.308	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.2	178.1	-57.2	0	0	0	0	115.3	D592 S763 S764 G765	D592-S594 VanDerWaalsContact C-N 3.31Å; D592-S594 VanDerWaalsContact CG-OG 3.32Å; D592-S594 PolarHBondContact O-N 3.38Å; D592-S594 WeakPolarHBondContact OD1-CB 3.5Å; D592-S594 PolarHBondContact OD1-N 2.95Å; D592-S594 VanDerWaalsContact OD1-N 3.08Å; D592-S594 PolarHBondContact OD1-OG 2.98Å; D592-S594 PolarHBondContact OD2-OG 3.3Å; S594-S763 VanDerWaalsContact CA-OG 3.3Å; S594-S763 WeakPolarHBondContact CA-OG 3.49Å; S594-S763 PolarHBondContact OG-OG 3.46Å; S594-S764 PolarHBondContact OG-N 3.09Å; S594-S764 VanDerWaalsContact OG-N 3.12Å; S594-S764 PolarHBondContact OG-OG 3.49Å; S594-G765 WeakPolarHBondContact OG-CA 3.39Å; S594-G765 PolarHBondContact OG-N 2.97Å
595	S	52.9	Low	65.5	Low	74 Å²	74	55.8 Å²	55.8	52%	0.517	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	10	-172.9	-45.9	0	0	0	0	113.7	R535 Y593	R535-S595 PolarHBondContact NH1-O 2.86Å; Y593-S595 PolarHBondContact O-N 3.48Å
596	F	59.6	Low	66	Low	37 Å²	37	53.5 Å²	53.5	16%	0.162	30%	0.3	C	S	.	.	S	Bend	trans	-103.1	152.1	-173.8	-71.5	-89.4	0	0	0	112.6	R535 M555 L586 Y593	R535-F596 HydrophobicContact CB-CE1 3.92Å; R535-F596 HydrophobicContact CB-CZ 4.04Å; R535-F596 HydrophobicContact CG-CD1 4.48Å; R535-F596 HydrophobicContact CG-CE1 3.87Å; R535-F596 HydrophobicContact CG-CZ 4.35Å; M555-F596 HydrophobicContact CB-CE1 4.07Å; M555-F596 HydrophobicContact CE-CD1 4.24Å; M555-F596 HydrophobicContact CE-CE1 4.11Å; M555-F596 HydrophobicContact CE-CZ 4.33Å; M555-F596 HydrophobicContact CG-CE1 4.11Å; M555-F596 HydrophobicContact CG-CZ 4.46Å; L586-F596 HydrophobicContact CD1-CE2 3.92Å; L586-F596 HydrophobicContact CD1-CZ 3.47Å; L586-F596 VanDerWaalsContact CD1-CZ 3.47Å; L586-F596 HydrophobicContact CD2-CE2 3.94Å; L586-F596 HydrophobicContact CD2-CZ 3.7Å; L586-F596 HydrophobicContact CG-CZ 4.11Å; Y593-F596 AromaticContact CD1-CD2 3.9Å; Y593-F596 HydrophobicContact CD1-CD2 3.9Å; Y593-F596 AromaticContact CD1-CE2 3.52Å; Y593-F596 HydrophobicContact CD1-CE2 3.52Å; Y593-F596 HydrophobicContact CD1-CZ 4.14Å; Y593-F596 HydrophobicContact CE1-CE2 4.42Å; Y593-F596 HydrophobicContact CG-CD2 4.31Å; Y593-F596 HydrophobicContact CG-CE2 4.25Å; Y593-F596 WeakPolarHBondContact O-CD2 3.48Å; Y593-F596 PolarHBondContact O-N 3.45Å
597	P	52.1	Low	66.9	Low	79 Å²	79	55 Å²	55	51%	0.513	31%	0.308	S	S	.	.			trans	-65.4	150.3	176.2	-14.6	29.4	0	0	0	111.5	D553 D599	D553-P597 HydrophobicContact CB-CG 3.4Å; D553-P597 VanDerWaalsContact CB-CG 3.4Å; P597-D599 PolarHBondContact O-N 3.24Å
598	D	53.4	Low	68.2	Low	125 Å²	125	52.7 Å²	52.7	67%	0.668	29%	0.29	S	S	*	.			trans	-62	100.5	175.9	-62.8	-38.4	0	0	0	110.7	W766	D598-W766 WeakPolarHBondContact OD1-CH2 3.35Å; D598-W766 VanDerWaalsContact OD1-CZ3 3.26Å; D598-W766 WeakPolarHBondContact OD1-CZ3 3.47Å
599	D	60.5	Low	70	Confident	84 Å²	84	50.8 Å²	50.8	45%	0.449	28%	0.28	S	S	.	.			trans	-78	125.7	163.3	175.1	5.4	0	0	0	108.7	P597 D601 S602 E603	P597-D599 PolarHBondContact O-N 3.24Å; D599-D601 PolarHBondContact O-N 3.43Å; D599-D601 VanDerWaalsContact O-N 3.12Å; D599-D601 PolarHBondContact OD1-N 2.86Å; D599-S602 WeakPolarHBondContact O-CA 3.32Å; D599-S602 VanDerWaalsContact O-CB 3.29Å; D599-S602 WeakPolarHBondContact O-CB 3.48Å; D599-S602 PolarHBondContact O-N 3.32Å; D599-E603 PolarHBondContact O-N 3.15Å
600	P	60.5	Low	71.4	Confident	89 Å²	89	49.8 Å²	49.8	58%	0.578	28%	0.275	S	S	*	.	H	α-helix	trans	-52.4	-32.1	176.3	-26.1	32.5	0	0	0	114.4
601	D	66.1	Low	72.3	Confident	74 Å²	74	54.4 Å²	54.4	40%	0.396	30%	0.3	S	S	.	.	H	α-helix	trans	-79.7	-29.3	177.1	-72	-32.4	0	0	0	112.2	D599 K604 M605	D599-D601 PolarHBondContact O-N 3.43Å; D599-D601 VanDerWaalsContact O-N 3.12Å; D599-D601 PolarHBondContact OD1-N 2.86Å; D601-K604 IonicContact OD1-NZ 3.86Å; D601-K604 PolarHBondContact OD1-NZ 3.09Å; D601-M605 PolarHBondContact O-N 2.6Å
602	S	72	Confident	73.2	Confident	33 Å²	33	58 Å²	58	23%	0.231	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-42.2	169.2	-174	0	0	0	0	111.4	D599 K604 M605 E606	D599-S602 WeakPolarHBondContact O-CA 3.32Å; D599-S602 VanDerWaalsContact O-CB 3.29Å; D599-S602 WeakPolarHBondContact O-CB 3.48Å; D599-S602 PolarHBondContact O-N 3.32Å; S602-K604 VanDerWaalsContact C-N 3.3Å; S602-K604 PolarHBondContact O-N 2.87Å; S602-M605 PolarHBondContact O-N 2.92Å; S602-M605 VanDerWaalsContact O-N 3.08Å; S602-E606 WeakPolarHBondContact O-CB 3.43Å; S602-E606 WeakPolarHBondContact O-CG 3.43Å; S602-E606 PolarHBondContact O-N 3.1Å
603	E	79.4	Confident	74.6	Confident	99 Å²	99	56.6 Å²	56.6	46%	0.463	31%	0.306	S	S	.	.	H	α-helix	trans	-58.7	-40.7	178	-178.6	-178.6	-176.1	0	0	112.2	D599 N607 W766	D599-E603 PolarHBondContact O-N 3.15Å; E603-N607 WeakPolarHBondContact O-CB 3.46Å; E603-N607 PolarHBondContact O-N 3.2Å; E603-N607 PolarHBondContact O-ND2 3.19Å; E603-W766 HydrophobicContact CB-CH2 4.29Å; E603-W766 HydrophobicContact CB-CZ2 4.4Å; E603-W766 HydrophobicContact CG-CH2 4.42Å; E603-W766 HydrophobicContact CG-CZ2 4.08Å
604	K	82.7	Confident	76	Confident	113 Å²	113	56.2 Å²	56.2	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-45.1	175.9	-68.2	174.7	-162.8	148.7	0	111.1	D601 S602 N607 V608	D601-K604 IonicContact OD1-NZ 3.86Å; D601-K604 PolarHBondContact OD1-NZ 3.09Å; S602-K604 VanDerWaalsContact C-N 3.3Å; S602-K604 PolarHBondContact O-N 2.87Å; K604-N607 PolarHBondContact O-N 3.48Å; K604-V608 WeakPolarHBondContact O-CG2 3.36Å; K604-V608 PolarHBondContact O-N 2.79Å
605	M	86.9	Confident	77.2	Confident	14 Å²	14	57 Å²	57	7%	0.069	31%	0.31	C	S	.	.	H	α-helix	trans	-65.8	-47.9	179.8	-173.3	58.5	64.3	0	0	111.4	I490 Q493 M494 D601 S602 N607 V608 V609 F760 L762	I490-M605 HydrophobicContact CG2-SD 4.18Å; Q493-M605 HydrophobicContact CB-CE 3.91Å; Q493-M605 HydrophobicContact CG-CE 3.59Å; M494-M605 HydrophobicContact CG-CE 3.87Å; M494-M605 HydrophobicContact SD-CE 3.44Å; M494-M605 WeakPolarHBondContact SD-CE 3.5Å; M494-M605 HydrophobicContact SD-SD 4.33Å; D601-M605 PolarHBondContact O-N 2.6Å; S602-M605 PolarHBondContact O-N 2.92Å; S602-M605 VanDerWaalsContact O-N 3.08Å; M605-N607 VanDerWaalsContact C-N 3.28Å; M605-N607 PolarHBondContact O-N 2.95Å; M605-V608 PolarHBondContact O-N 2.78Å; M605-V608 VanDerWaalsContact O-N 3.12Å; M605-V609 HydrophobicContact CG-CG2 4.24Å; M605-V609 WeakPolarHBondContact O-CB 3.5Å; M605-V609 WeakPolarHBondContact O-CG2 3.37Å; M605-V609 PolarHBondContact O-N 3.01Å; M605-V609 HydrophobicContact SD-CG2 4.02Å; M605-F760 HydrophobicContact SD-CE1 4.45Å; M605-L762 HydrophobicContact CG-CD2 4.21Å
606	E	87.5	Confident	79.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-51.1	-48.7	173.6	-80.4	-72.5	178.6	0	0	111.3	S602 V608 V609 R610 L762 S763 W766	S602-E606 WeakPolarHBondContact O-CB 3.43Å; S602-E606 WeakPolarHBondContact O-CG 3.43Å; S602-E606 PolarHBondContact O-N 3.1Å; E606-V608 PolarHBondContact O-N 3.12Å; E606-V609 PolarHBondContact O-N 3.48Å; E606-R610 WeakPolarHBondContact O-CB 3.31Å; E606-R610 VanDerWaalsContact O-CG 3.29Å; E606-R610 WeakPolarHBondContact O-CG 3.36Å; E606-R610 PolarHBondContact O-N 3.28Å; E606-R610 WeakPolarHBondContact OE2-CD 3.49Å; E606-R610 IonicContact OE2-CZ 2.68Å; E606-R610 IonicContact OE2-NE 3.35Å; E606-R610 PolarHBondContact OE2-NE 3.17Å; E606-R610 IonicContact OE2-NH2 3.43Å; E606-L762 HydrophobicContact CG-CD2 4.17Å; E606-L762 VanDerWaalsContact OE1-CA 3.25Å; E606-L762 WeakPolarHBondContact OE1-CA 3.5Å; E606-S763 PolarHBondContact OE1-N 3.19Å; E606-W766 HydrophobicContact CB-CD2 4.37Å; E606-W766 HydrophobicContact CB-CZ2 4.49Å; E606-W766 HydrophobicContact CG-CD2 4.04Å; E606-W766 HydrophobicContact CG-CE3 4.1Å; E606-W766 HydrophobicContact CG-CZ3 4.43Å
607	N	85.4	Confident	80.8	Confident	64 Å²	64	52.2 Å²	52.2	34%	0.342	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-41.4	179.2	-83.2	-51	0	0	0	113	E603 K604 M605 N611	E603-N607 WeakPolarHBondContact O-CB 3.46Å; E603-N607 PolarHBondContact O-N 3.2Å; E603-N607 PolarHBondContact O-ND2 3.19Å; K604-N607 PolarHBondContact O-N 3.48Å; M605-N607 VanDerWaalsContact C-N 3.28Å; M605-N607 PolarHBondContact O-N 2.95Å; N607-N611 WeakPolarHBondContact O-CB 3.35Å; N607-N611 PolarHBondContact O-N 3.39Å; N607-N611 PolarHBondContact O-ND2 3Å; N607-N611 PolarHBondContact OD1-ND2 2.86Å
608	V	88.7	Confident	82.8	Confident	35 Å²	35	49.8 Å²	49.8	21%	0.212	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-47.4	178	170.5	0	0	0	0	110.7	L489 I490 K604 M605 E606 R612 F613	L489-V608 HydrophobicContact CD2-CG1 3.64Å; L489-V608 HydrophobicContact CD2-CG2 4.4Å; L489-V608 HydrophobicContact CG-CG1 4.06Å; I490-V608 HydrophobicContact CG1-CG1 3.81Å; K604-V608 WeakPolarHBondContact O-CG2 3.36Å; K604-V608 PolarHBondContact O-N 2.79Å; M605-V608 PolarHBondContact O-N 2.78Å; M605-V608 VanDerWaalsContact O-N 3.12Å; E606-V608 PolarHBondContact O-N 3.12Å; V608-R612 WeakPolarHBondContact O-CB 3.3Å; V608-R612 PolarHBondContact O-N 3.2Å; V608-F613 PolarHBondContact O-N 3.18Å
609	V	92.9	Very high	84.6	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	I	π-helix	trans	-61.8	-55.4	179.6	173.4	0	0	0	0	110	I490 M605 E606 F613 C614 L711 L762	I490-V609 HydrophobicContact CD1-CG2 3.86Å; I490-V609 HydrophobicContact CG1-CG2 4.3Å; M605-V609 HydrophobicContact CG-CG2 4.24Å; M605-V609 WeakPolarHBondContact O-CB 3.5Å; M605-V609 WeakPolarHBondContact O-CG2 3.37Å; M605-V609 PolarHBondContact O-N 3.01Å; M605-V609 HydrophobicContact SD-CG2 4.02Å; E606-V609 PolarHBondContact O-N 3.48Å; V609-F613 HydrophobicContact CG1-CD1 4.23Å; V609-F613 WeakPolarHBondContact O-CB 3.47Å; V609-F613 PolarHBondContact O-N 2.83Å; V609-F613 VanDerWaalsContact O-N 3.16Å; V609-C614 PolarHBondContact O-N 2.73Å; V609-C614 PolarHBondContact O-SG 2.97Å; V609-C614 VanDerWaalsContact O-SG 3.33Å; V609-L711 HydrophobicContact CG1-CD1 3.71Å; V609-L711 HydrophobicContact CG2-CD1 4.42Å; V609-L762 HydrophobicContact CB-CD1 4.46Å; V609-L762 HydrophobicContact CB-CD2 4.45Å; V609-L762 HydrophobicContact CG1-CD1 3.92Å; V609-L762 HydrophobicContact CG2-CD1 4.24Å; V609-L762 HydrophobicContact CG2-CD2 4.22Å
610	R	90.4	Very high	86.2	Confident	9 Å²	9	40.6 Å²	40.6	3%	0.034	22%	0.215	C	C	.	.	I	π-helix	trans	-67.9	-43.7	-173.9	-69.9	-179.8	173.4	-84.3	-5.6	113.5	E606 R704 S763 E767	E606-R610 WeakPolarHBondContact O-CB 3.31Å; E606-R610 VanDerWaalsContact O-CG 3.29Å; E606-R610 WeakPolarHBondContact O-CG 3.36Å; E606-R610 PolarHBondContact O-N 3.28Å; E606-R610 WeakPolarHBondContact OE2-CD 3.49Å; E606-R610 IonicContact OE2-CZ 2.68Å; E606-R610 IonicContact OE2-NE 3.35Å; E606-R610 PolarHBondContact OE2-NE 3.17Å; E606-R610 IonicContact OE2-NH2 3.43Å; R610-R704 WeakPolarHBondContact O-CD 3.37Å; R610-S763 PolarHBondContact NH2-O 3.23Å; R610-E767 IonicContact CZ-OE1 3.83Å; R610-E767 IonicContact NH1-OE1 3.91Å; R610-E767 PolarHBondContact NH1-OE1 3.19Å
611	N	85.6	Confident	87.8	Confident	110 Å²	110	36.6 Å²	36.6	59%	0.588	19%	0.189	S	C	*	.	I	π-helix	trans	-87.3	-30.7	-172.7	-61.9	-55.5	0	0	0	113.5	N607 S615	N607-N611 WeakPolarHBondContact O-CB 3.35Å; N607-N611 PolarHBondContact O-N 3.39Å; N607-N611 PolarHBondContact O-ND2 3Å; N607-N611 PolarHBondContact OD1-ND2 2.86Å; N611-S615 WeakPolarHBondContact O-CB 3.41Å
612	R	86.5	Confident	89	Confident	95 Å²	95	35.7 Å²	35.7	36%	0.358	18%	0.182	S	C	.	.	I	π-helix	trans	-107.2	-56.5	-176.6	-167.2	174.1	-179.1	177.2	-4.6	112.3	E485 A486 V608 S615 A616	E485-R612 IonicContact OE2-NH2 3.18Å; E485-R612 PolarHBondContact OE2-NH2 3.07Å; E485-R612 VanDerWaalsContact OE2-NH2 3.15Å; A486-R612 HydrophobicContact CB-CG 4.23Å; V608-R612 WeakPolarHBondContact O-CB 3.3Å; V608-R612 PolarHBondContact O-N 3.2Å; R612-S615 PolarHBondContact O-N 3.33Å; R612-A616 PolarHBondContact O-N 3.43Å
613	F	95.4	Very high	89.8	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-69.2	-51.3	-174.7	174	-104.3	0	0	0	112.6	L483 A486 V487 I490 V608 V609 S615 A616 V617 I707 L711 L716 L752 L755	L483-F613 HydrophobicContact CD1-CD2 4.19Å; L483-F613 HydrophobicContact CD1-CE2 3.76Å; A486-F613 HydrophobicContact CB-CB 4.21Å; A486-F613 HydrophobicContact CB-CD2 4.15Å; V487-F613 HydrophobicContact CG2-CD2 4.29Å; V487-F613 HydrophobicContact CG2-CE2 3.81Å; I490-F613 HydrophobicContact CD1-CB 3.46Å; I490-F613 VanDerWaalsContact CD1-CB 3.46Å; I490-F613 HydrophobicContact CD1-CD1 4.19Å; I490-F613 HydrophobicContact CD1-CD2 3.93Å; I490-F613 HydrophobicContact CD1-CG 3.61Å; V608-F613 PolarHBondContact O-N 3.18Å; V609-F613 HydrophobicContact CG1-CD1 4.23Å; V609-F613 WeakPolarHBondContact O-CB 3.47Å; V609-F613 PolarHBondContact O-N 2.83Å; V609-F613 VanDerWaalsContact O-N 3.16Å; F613-S615 PolarHBondContact O-N 3.06Å; F613-A616 WeakPolarHBondContact O-CB 3.29Å; F613-A616 PolarHBondContact O-N 2.62Å; F613-V617 HydrophobicContact CD1-CG2 4.35Å; F613-V617 HydrophobicContact CD2-CG2 4.26Å; F613-V617 HydrophobicContact CE1-CG2 3.98Å; F613-V617 HydrophobicContact CE2-CG2 3.86Å; F613-V617 HydrophobicContact CG-CG2 4.49Å; F613-V617 HydrophobicContact CZ-CG2 3.72Å; F613-V617 WeakPolarHBondContact O-CG2 3.46Å; F613-V617 PolarHBondContact O-N 3.42Å; F613-I707 HydrophobicContact CD1-CG2 3.88Å; F613-I707 HydrophobicContact CE1-CG2 3.48Å; F613-I707 VanDerWaalsContact CE1-CG2 3.48Å; F613-L711 HydrophobicContact CD1-CD1 4.12Å; F613-L711 HydrophobicContact CE1-CD1 3.83Å; F613-L711 HydrophobicContact CE1-CD2 4.13Å; F613-L711 HydrophobicContact CE1-CG 4.27Å; F613-L711 HydrophobicContact CZ-CD2 4.35Å; F613-L716 HydrophobicContact CE1-CD2 3.74Å; F613-L716 HydrophobicContact CZ-CD2 3.72Å; F613-L752 HydrophobicContact CE2-CD2 3.87Å; F613-L752 HydrophobicContact CZ-CD2 3.58Å; F613-L755 HydrophobicContact CD2-CD1 4.17Å; F613-L755 HydrophobicContact CE1-CD1 4.18Å; F613-L755 HydrophobicContact CE2-CD1 3.51Å; F613-L755 HydrophobicContact CZ-CD1 3.51Å
614	C	95.3	Very high	90.2	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.02	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-32	177.3	-63	0	0	0	0	112.1	V609 K618 R704 I707	V609-C614 PolarHBondContact O-N 2.73Å; V609-C614 PolarHBondContact O-SG 2.97Å; V609-C614 VanDerWaalsContact O-SG 3.33Å; C614-K618 WeakPolarHBondContact O-CB 3.4Å; C614-K618 PolarHBondContact O-N 2.84Å; C614-R704 HydrophobicContact CB-CB 4.48Å; C614-R704 HydrophobicContact CB-CG 3.68Å; C614-I707 VanDerWaalsContact SG-CG2 3.55Å
615	S	88.4	Confident	90.6	Very high	60 Å²	60	27.3 Å²	27.3	42%	0.42	14%	0.142	S	C	.	.	H	α-helix	trans	-66.2	-42	174.3	-172.3	0	0	0	0	112.3	N611 R612 F613 S619	N611-S615 WeakPolarHBondContact O-CB 3.41Å; R612-S615 PolarHBondContact O-N 3.33Å; F613-S615 PolarHBondContact O-N 3.06Å; S615-S619 WeakPolarHBondContact O-CB 3.45Å; S615-S619 PolarHBondContact O-N 3.33Å; S615-S619 PolarHBondContact O-OG 2.9Å
616	A	91.6	Very high	90.5	Very high	8 Å²	8	29.8 Å²	29.8	7%	0.066	15%	0.152	C	C	.	.	H	α-helix	trans	-64.3	-47.8	175	0	0	0	0	0	111.4	A486 R612 F613 K618 S619 I620	A486-A616 HydrophobicContact CB-CB 4.32Å; R612-A616 PolarHBondContact O-N 3.43Å; F613-A616 WeakPolarHBondContact O-CB 3.29Å; F613-A616 PolarHBondContact O-N 2.62Å; A616-K618 PolarHBondContact O-N 2.91Å; A616-S619 WeakPolarHBondContact O-CB 3.45Å; A616-S619 PolarHBondContact O-N 3.05Å; A616-I620 PolarHBondContact O-N 3.36Å
617	V	96.5	Very high	89.9	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.018	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-45.5	176.8	-179.5	0	0	0	0	110.9	L483 F613 S619 I620 F621 F703 I707 L752	L483-V617 HydrophobicContact CD1-CG2 3.83Å; F613-V617 HydrophobicContact CD1-CG2 4.35Å; F613-V617 HydrophobicContact CD2-CG2 4.26Å; F613-V617 HydrophobicContact CE1-CG2 3.98Å; F613-V617 HydrophobicContact CE2-CG2 3.86Å; F613-V617 HydrophobicContact CG-CG2 4.49Å; F613-V617 HydrophobicContact CZ-CG2 3.72Å; F613-V617 WeakPolarHBondContact O-CG2 3.46Å; F613-V617 PolarHBondContact O-N 3.42Å; V617-S619 VanDerWaalsContact C-N 3.27Å; V617-S619 PolarHBondContact O-N 3.33Å; V617-I620 WeakPolarHBondContact O-CB 3.33Å; V617-I620 PolarHBondContact O-N 3.02Å; V617-I620 VanDerWaalsContact O-N 3.14Å; V617-F621 HydrophobicContact CG1-CD2 3.98Å; V617-F621 HydrophobicContact CG1-CE2 3.78Å; V617-F621 WeakPolarHBondContact O-CD2 3.41Å; V617-F621 PolarHBondContact O-N 3.17Å; V617-F703 HydrophobicContact CG1-CZ 4.15Å; V617-I707 HydrophobicContact CG1-CD1 3.82Å; V617-L752 HydrophobicContact CG2-CD2 4.12Å
618	K	94.1	Very high	88.9	Confident	27 Å²	27	37.3 Å²	37.3	12%	0.117	19%	0.189	C	C	.	.	H	α-helix	trans	-56.7	-42.2	176	-169.6	-173.5	-172.8	-170.5	0	111.7	C614 A616 I620 F621 E622 H636 P637 D700 F703	C614-K618 WeakPolarHBondContact O-CB 3.4Å; C614-K618 PolarHBondContact O-N 2.84Å; A616-K618 PolarHBondContact O-N 2.91Å; K618-I620 VanDerWaalsContact C-N 3.27Å; K618-I620 PolarHBondContact O-N 2.61Å; K618-F621 CarbonylContact O-C 3.59Å; K618-F621 PolarHBondContact O-N 3.03Å; K618-F621 VanDerWaalsContact O-N 3.12Å; K618-E622 WeakPolarHBondContact CE-OE1 3.46Å; K618-E622 HydrophobicContact CG-CG 4.22Å; K618-E622 IonicContact NZ-OE1 3.85Å; K618-E622 WeakPolarHBondContact O-CG 3.27Å; K618-E622 PolarHBondContact O-N 3.26Å; K618-H636 WeakPolarHBondContact CE-NE2 3.37Å; K618-H636 PolarHBondContact NZ-NE2 3.27Å; K618-P637 HydrophobicContact CG-CG 4.24Å; K618-D700 WeakPolarHBondContact CE-OD1 3.43Å; K618-D700 IonicContact NZ-OD1 3.26Å; K618-D700 PolarHBondContact NZ-OD1 3.08Å; K618-D700 IonicContact NZ-OD2 3.1Å; K618-D700 PolarHBondContact NZ-OD2 3.17Å; K618-F703 HydrophobicContact CB-CD1 4.25Å; K618-F703 HydrophobicContact CB-CE1 3.6Å; K618-F703 HydrophobicContact CB-CZ 4.05Å; K618-F703 HydrophobicContact CG-CD1 4.41Å; K618-F703 HydrophobicContact CG-CE1 4.12Å; K618-F703 HydrophobicContact CG-CZ 4.44Å
619	S	90.4	Very high	87.2	Confident	16 Å²	16	41.3 Å²	41.3	11%	0.112	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-33.4	-179.3	-58.9	0	0	0	0	112.3	S615 A616 V617 E622 Y623	S615-S619 WeakPolarHBondContact O-CB 3.45Å; S615-S619 PolarHBondContact O-N 3.33Å; S615-S619 PolarHBondContact O-OG 2.9Å; A616-S619 WeakPolarHBondContact O-CB 3.45Å; A616-S619 PolarHBondContact O-N 3.05Å; V617-S619 VanDerWaalsContact C-N 3.27Å; V617-S619 PolarHBondContact O-N 3.33Å; S619-E622 PolarHBondContact O-N 2.92Å; S619-Y623 WeakPolarHBondContact O-CB 3.48Å; S619-Y623 PolarHBondContact O-N 3.18Å; S619-Y623 VanDerWaalsContact O-N 3.12Å
620	I	94.1	Very high	85.2	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-45.6	172.1	-67.7	167.5	0	0	0	110.8	L479 L483 A616 V617 K618 Y623 F720 F739 V748	L479-I620 HydrophobicContact CB-CG1 4.17Å; L483-I620 HydrophobicContact CB-CD1 3.97Å; L483-I620 HydrophobicContact CD2-CD1 3.63Å; L483-I620 HydrophobicContact CG-CD1 4.27Å; A616-I620 PolarHBondContact O-N 3.36Å; V617-I620 WeakPolarHBondContact O-CB 3.33Å; V617-I620 PolarHBondContact O-N 3.02Å; V617-I620 VanDerWaalsContact O-N 3.14Å; K618-I620 VanDerWaalsContact C-N 3.27Å; K618-I620 PolarHBondContact O-N 2.61Å; I620-Y623 PolarHBondContact O-N 3.08Å; I620-F720 HydrophobicContact CG2-CE2 4.34Å; I620-F720 HydrophobicContact CG2-CZ 4.22Å; I620-F739 HydrophobicContact CG2-CB 4.22Å; I620-F739 HydrophobicContact CG2-CD2 4.12Å; I620-F739 HydrophobicContact CG2-CG 4.37Å; I620-V748 HydrophobicContact CD1-CG1 3.96Å; I620-V748 HydrophobicContact CD1-CG2 4.01Å; I620-V748 HydrophobicContact CG2-CG1 4.42Å; I620-V748 HydrophobicContact CG2-CG2 4.25Å
621	F	94.5	Very high	83.2	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-69.2	-30.8	176.7	-79.6	-83	0	0	0	113.6	V617 K618 Y623 P637 F640 F703 F720 L723 Y734 I740	V617-F621 HydrophobicContact CG1-CD2 3.98Å; V617-F621 HydrophobicContact CG1-CE2 3.78Å; V617-F621 WeakPolarHBondContact O-CD2 3.41Å; V617-F621 PolarHBondContact O-N 3.17Å; K618-F621 CarbonylContact O-C 3.59Å; K618-F621 PolarHBondContact O-N 3.03Å; K618-F621 VanDerWaalsContact O-N 3.12Å; F621-Y623 VanDerWaalsContact C-N 3.32Å; F621-P637 HydrophobicContact CB-CB 3.64Å; F621-P637 HydrophobicContact CB-CG 3.62Å; F621-P637 HydrophobicContact CG-CB 4.22Å; F621-F640 HydrophobicContact CD1-CD1 4.15Å; F621-F640 HydrophobicContact CD1-CE1 4.23Å; F621-F640 HydrophobicContact CE1-CD1 4.2Å; F621-F640 AromaticContact CE1-CE1 3.97Å; F621-F640 HydrophobicContact CE1-CE1 3.97Å; F621-F703 HydrophobicContact CD2-CE2 4.04Å; F621-F703 AromaticContact CD2-CZ 3.89Å; F621-F703 HydrophobicContact CD2-CZ 3.89Å; F621-F703 HydrophobicContact CE2-CE2 4.38Å; F621-F703 HydrophobicContact CE2-CZ 4.32Å; F621-F703 HydrophobicContact CG-CE2 4.49Å; F621-F720 HydrophobicContact CE1-CD2 4.46Å; F621-F720 HydrophobicContact CE1-CE2 4.33Å; F621-F720 AromaticContact CE2-CD2 3.9Å; F621-F720 HydrophobicContact CE2-CD2 3.9Å; F621-F720 AromaticContact CE2-CE2 3.93Å; F621-F720 HydrophobicContact CE2-CE2 3.93Å; F621-F720 AromaticContact CZ-CD2 3.61Å; F621-F720 HydrophobicContact CZ-CD2 3.61Å; F621-F720 AromaticContact CZ-CE2 3.77Å; F621-F720 HydrophobicContact CZ-CE2 3.77Å; F621-L723 HydrophobicContact CE1-CD1 3.95Å; F621-L723 HydrophobicContact CZ-CD1 3.71Å; F621-Y734 WeakPolarHBondContact O-CE1 3.26Å; F621-Y734 VanDerWaalsContact O-CZ 3.32Å; F621-Y734 PolarHBondContact O-OH 3.41Å; F621-I740 HydrophobicContact CD1-CD1 3.99Å; F621-I740 HydrophobicContact CE1-CD1 4.07Å
622	E	90.5	Very high	81.3	Confident	56 Å²	56	51.6 Å²	51.6	26%	0.262	29%	0.285	S	S	.	.	H	α-helix	trans	-72.5	-29.2	176.3	-74.2	-177.1	159.8	0	0	111.4	R442 K618 S619 G624 I625 P637	R442-E622 IonicContact NH1-OE2 3.06Å; K618-E622 WeakPolarHBondContact CE-OE1 3.46Å; K618-E622 HydrophobicContact CG-CG 4.22Å; K618-E622 IonicContact NZ-OE1 3.85Å; K618-E622 WeakPolarHBondContact O-CG 3.27Å; K618-E622 PolarHBondContact O-N 3.26Å; S619-E622 PolarHBondContact O-N 2.92Å; E622-G624 PolarHBondContact O-N 3.22Å; E622-G624 VanDerWaalsContact O-N 3.11Å; E622-I625 WeakPolarHBondContact O-CG2 3.19Å; E622-I625 PolarHBondContact O-N 3.38Å; E622-P637 HydrophobicContact CG-CG 3.85Å
623	Y	88.5	Confident	79.7	Confident	39 Å²	39	55.9 Å²	55.9	15%	0.153	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	105.3	-175	-166.5	-113	0	0	0	112.4	K472 K475 Q476 L479 S619 I620 F621 W737 F739	K472-Y623 WeakPolarHBondContact CA-OH 3.47Å; K472-Y623 WeakPolarHBondContact CB-OH 3.45Å; K472-Y623 PolarHBondContact O-OH 3.12Å; K475-Y623 HydrophobicContact CB-CE1 4.4Å; K475-Y623 HydrophobicContact CB-CE2 4.04Å; K475-Y623 HydrophobicContact CG-CD2 3.95Å; K475-Y623 HydrophobicContact CG-CE1 4.34Å; K475-Y623 HydrophobicContact CG-CE2 3.42Å; K475-Y623 VanDerWaalsContact CG-CE2 3.42Å; Q476-Y623 HydrophobicContact CG-CD1 4.18Å; Q476-Y623 HydrophobicContact CG-CE1 3.7Å; L479-Y623 VanDerWaalsContact CD1-CB 3.49Å; L479-Y623 HydrophobicContact CD1-CD1 3.85Å; L479-Y623 HydrophobicContact CD1-CD2 4.14Å; L479-Y623 HydrophobicContact CD1-CG 3.54Å; S619-Y623 WeakPolarHBondContact O-CB 3.48Å; S619-Y623 PolarHBondContact O-N 3.18Å; S619-Y623 VanDerWaalsContact O-N 3.12Å; I620-Y623 PolarHBondContact O-N 3.08Å; F621-Y623 VanDerWaalsContact C-N 3.32Å; Y623-W737 AromaticContact CD1-CZ3 3.96Å; Y623-W737 HydrophobicContact CD1-CZ3 3.96Å; Y623-W737 HydrophobicContact CD2-CZ3 4.37Å; Y623-W737 HydrophobicContact CE1-CE3 4.02Å; Y623-W737 AromaticContact CE1-CZ3 3.55Å; Y623-W737 HydrophobicContact CE1-CZ3 3.55Å; Y623-W737 HydrophobicContact CE2-CH2 4.42Å; Y623-W737 AromaticContact CE2-CZ3 4Å; Y623-W737 HydrophobicContact CE2-CZ3 4Å; Y623-W737 HydrophobicContact CG-CZ3 4.33Å; Y623-W737 AromaticContact CZ-CZ3 3.55Å; Y623-F739 HydrophobicContact CD1-CD2 4.45Å
624	G	88.3	Confident	78.1	Confident	5 Å²	5	63.6 Å²	63.6	5%	0.052	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	9.7	-178.8	0	0	0	0	0	115.3	E622 Y734 H735 W737	E622-G624 PolarHBondContact O-N 3.22Å; E622-G624 VanDerWaalsContact O-N 3.11Å; G624-Y734 WeakPolarHBondContact O-CA 3.49Å; G624-Y734 WeakPolarHBondContact O-CD1 3.49Å; G624-H735 PolarHBondContact O-CD2 2.98Å; G624-H735 PolarHBondContact O-N 3.29Å; G624-W737 VanDerWaalsContact CA-CZ3 3.42Å
625	I	90.2	Very high	77.4	Confident	25 Å²	25	64.6 Å²	64.6	13%	0.128	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-68.6	132.5	170.1	-157.2	168	0	0	0	110.3	E622 V635 W733 Y734	E622-I625 WeakPolarHBondContact O-CG2 3.19Å; E622-I625 PolarHBondContact O-N 3.38Å; I625-V635 HydrophobicContact CD1-CB 4.02Å; I625-V635 HydrophobicContact CD1-CG1 3.66Å; I625-V635 HydrophobicContact CG1-CB 4.28Å; I625-V635 HydrophobicContact CG1-CG1 4.17Å; I625-W733 HydrophobicContact CD1-CE3 4.34Å; I625-Y734 HydrophobicContact CB-CD1 4.36Å; I625-Y734 HydrophobicContact CB-CE1 3.88Å; I625-Y734 HydrophobicContact CG1-CE1 4.22Å
626	K	86.8	Confident	77.4	Confident	66 Å²	66	62.5 Å²	62.5	29%	0.287	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-69.7	133.2	178.4	-72.7	170.5	171	173.2	0	109.7	V635 R731 R732 W733 Y734	K626-V635 WeakPolarHBondContact O-CG2 3.38Å; K626-R731 PolarHBondContact NZ-O 3.33Å; K626-R732 WeakPolarHBondContact CD-O 3.36Å; K626-W733 WeakPolarHBondContact CB-O 3.26Å; K626-W733 PolarHBondContact N-O 3.16Å; K626-Y734 WeakPolarHBondContact CE-O 3.41Å; K626-Y734 PolarHBondContact NZ-O 3.35Å
627	K	74.5	Confident	77.5	Confident	164 Å²	164	62.1 Å²	62.1	71%	0.713	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-70	144.7	174.8	-63.5	179.2	-176.9	174.8	0	110.1	S629	K627-S629 PolarHBondContact O-N 3.47Å
628	S	63.7	Low	77.4	Confident	57 Å²	57	62 Å²	62	40%	0.399	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-67.2	130.3	174.5	178.5	0	0	0	0	110.6	L630 G632	S628-L630 VanDerWaalsContact C-N 3.31Å; S628-L630 PolarHBondContact O-N 3.25Å; S628-G632 PolarHBondContact O-N 3.41Å
629	S	52.2	Low	77.3	Confident	120 Å²	120	63.9 Å²	63.9	84%	0.839	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-26.8	-175.1	54	0	0	0	0	114.3	K627	K627-S629 PolarHBondContact O-N 3.47Å
630	L	52.7	Low	77.5	Confident	151 Å²	151	63.1 Å²	63.1	79%	0.791	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-31.1	-171	-90.7	138.4	0	0	0	114.3	S628	S628-L630 VanDerWaalsContact C-N 3.31Å; S628-L630 PolarHBondContact O-N 3.25Å
631	L	47.5	Very low	77.5	Confident	130 Å²	130	63.1 Å²	63.1	68%	0.681	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.2	6	-172.5	-77.4	169.8	0	0	0	115.1	R633	L631-R633 HydrophobicContact CB-CG 4.13Å; L631-R633 PolarHBondContact O-N 3.31Å
632	G	46.6	Very low	77.3	Confident	54 Å²	54	65.6 Å²	65.6	56%	0.557	33%	0.333	S	S	*	.			trans	59.7	14.1	-178.5	0	0	0	0	0	114.5	S628	S628-G632 PolarHBondContact O-N 3.41Å
633	R	52.3	Low	77.3	Confident	184 Å²	184	63.9 Å²	63.9	69%	0.694	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-67	141.9	177.7	-72.8	-173.1	178.4	-168.7	0.7	109.8	L631 V635	L631-R633 HydrophobicContact CB-CG 4.13Å; L631-R633 PolarHBondContact O-N 3.31Å; R633-V635 PolarHBondContact O-N 3.27Å
634	R	60.6	Low	77.3	Confident	163 Å²	163	62.1 Å²	62.1	62%	0.615	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-60.1	125.8	171.6	-63.9	-173.9	-158.7	-136.2	-2.6	108.5	D178	D178-R634 PolarHBondContact O-NH2 3.16Å
635	V	80.9	Confident	77.3	Confident	23 Å²	23	62 Å²	62	14%	0.139	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-84.3	131.6	176.9	179.9	0	0	0	0	107.6	I625 K626 R633 W733	I625-V635 HydrophobicContact CD1-CB 4.02Å; I625-V635 HydrophobicContact CD1-CG1 3.66Å; I625-V635 HydrophobicContact CG1-CB 4.28Å; I625-V635 HydrophobicContact CG1-CG1 4.17Å; K626-V635 WeakPolarHBondContact O-CG2 3.38Å; R633-V635 PolarHBondContact O-N 3.27Å; V635-W733 HydrophobicContact CG1-CE3 3.72Å; V635-W733 HydrophobicContact CG1-CH2 4.36Å; V635-W733 HydrophobicContact CG1-CZ3 3.26Å
636	H	88.5	Confident	76.8	Confident	16 Å²	16	63.1 Å²	63.1	7%	0.074	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-91.6	139.5	-176.7	-167.7	-88.2	0	0	0	111.1	K618 W638 L639 M699 D700	K618-H636 WeakPolarHBondContact CE-NE2 3.37Å; K618-H636 PolarHBondContact NZ-NE2 3.27Å; H636-W638 WeakPolarHBondContact ND1-CB 3.1Å; H636-W638 PolarHBondContact ND1-N 2.98Å; H636-W638 PolarHBondContact O-N 2.93Å; H636-W638 VanDerWaalsContact O-N 3.14Å; H636-L639 PolarHBondContact O-N 3.34Å; H636-M699 HydrophobicContact CB-CB 4.47Å; H636-M699 HydrophobicContact CB-CE 3.71Å; H636-M699 HydrophobicContact CB-SD 3.76Å; H636-M699 VanDerWaalsContact CE1-C 3.49Å; H636-M699 PolarHBondContact CE1-O 3.13Å; H636-M699 VanDerWaalsContact CE1-O 3.23Å; H636-M699 WeakPolarHBondContact ND1-CB 3.15Å; H636-D700 IonicContact NE2-OD1 3.87Å; H636-D700 IonicContact NE2-OD2 3.93Å
637	P	93.3	Very high	76.2	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-51.8	-34.4	177.4	-33.5	39.3	0	0	0	115.5	K618 F621 E622 L639 F640 I641 F703	K618-P637 HydrophobicContact CG-CG 4.24Å; F621-P637 HydrophobicContact CB-CB 3.64Å; F621-P637 HydrophobicContact CB-CG 3.62Å; F621-P637 HydrophobicContact CG-CB 4.22Å; E622-P637 HydrophobicContact CG-CG 3.85Å; P637-L639 PolarHBondContact O-N 3.37Å; P637-F640 WeakPolarHBondContact O-CB 3.22Å; P637-F640 PolarHBondContact O-N 2.87Å; P637-I641 PolarHBondContact O-N 3.23Å; P637-F703 HydrophobicContact CB-CD2 4.07Å; P637-F703 HydrophobicContact CB-CE2 3.85Å
638	W	94.5	Very high	75.7	Confident	1 Å²	1	57 Å²	57	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-52.7	-40.3	176.4	-175.9	-103.9	0	0	0	113.2	H636 F640 I641 E642 W685 I688 N689 M699 K702 F703 F706	H636-W638 WeakPolarHBondContact ND1-CB 3.1Å; H636-W638 PolarHBondContact ND1-N 2.98Å; H636-W638 PolarHBondContact O-N 2.93Å; H636-W638 VanDerWaalsContact O-N 3.14Å; W638-F640 VanDerWaalsContact C-N 3.29Å; W638-F640 PolarHBondContact O-N 2.89Å; W638-I641 HydrophobicContact CE3-CD1 4.5Å; W638-I641 HydrophobicContact CZ3-CG2 4.45Å; W638-I641 PolarHBondContact O-N 2.98Å; W638-E642 WeakPolarHBondContact O-CB 3.41Å; W638-E642 PolarHBondContact O-N 2.92Å; W638-W685 AromaticContact CZ2-CD1 3.97Å; W638-I688 HydrophobicContact CH2-CB 3.93Å; W638-I688 HydrophobicContact CH2-CD1 4.14Å; W638-I688 HydrophobicContact CH2-CG2 3.51Å; W638-I688 HydrophobicContact CZ2-CB 4.34Å; W638-I688 HydrophobicContact CZ2-CG2 3.72Å; W638-I688 HydrophobicContact CZ3-CG2 4.37Å; W638-N689 WeakPolarHBondContact CZ2-OD1 3.34Å; W638-N689 PolarHBondContact NE1-OD1 3.3Å; W638-M699 HydrophobicContact CB-CB 4.02Å; W638-M699 HydrophobicContact CB-CG 4.42Å; W638-M699 HydrophobicContact CG-CB 4.38Å; W638-K702 HydrophobicContact CD2-CB 3.75Å; W638-K702 HydrophobicContact CD2-CD 4.27Å; W638-K702 HydrophobicContact CE3-CB 3.99Å; W638-K702 HydrophobicContact CG-CB 4.31Å; W638-K702 HydrophobicContact CH2-CB 4.21Å; W638-K702 HydrophobicContact CZ2-CB 3.98Å; W638-K702 HydrophobicContact CZ2-CD 3.9Å; W638-K702 HydrophobicContact CZ2-CG 4.48Å; W638-K702 HydrophobicContact CZ3-CB 4.23Å; W638-F703 HydrophobicContact CE3-CB 4.48Å; W638-F706 HydrophobicContact CH2-CB 4.43Å; W638-F706 HydrophobicContact CZ3-CB 3.67Å; W638-F706 HydrophobicContact CZ3-CD2 4.26Å; W638-F706 HydrophobicContact CZ3-CG 4.02Å
639	L	92.9	Very high	75.3	Confident	66 Å²	66	56 Å²	56	35%	0.346	30%	0.295	S	S	.	.	H	α-helix	trans	-69	-31	-179.6	-60.3	173.3	0	0	0	112.1	H636 P637 S643 M699 W733	H636-L639 PolarHBondContact O-N 3.34Å; P637-L639 PolarHBondContact O-N 3.37Å; L639-S643 WeakPolarHBondContact O-CB 3.39Å; L639-S643 PolarHBondContact O-N 2.86Å; L639-M699 HydrophobicContact CD1-SD 4.22Å; L639-M699 HydrophobicContact CD2-SD 3.94Å; L639-M699 HydrophobicContact CG-SD 3.84Å; L639-W733 HydrophobicContact CB-CH2 3.45Å; L639-W733 VanDerWaalsContact CB-CH2 3.45Å; L639-W733 HydrophobicContact CB-CZ2 4.49Å; L639-W733 HydrophobicContact CB-CZ3 3.68Å
640	F	93.7	Very high	75.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.7	-47.2	172.4	163.4	-111.2	0	0	0	110.9	F621 P637 W638 E642 S643 V644 L723 V729 V730 W733 Y734 I740	F621-F640 HydrophobicContact CD1-CD1 4.15Å; F621-F640 HydrophobicContact CD1-CE1 4.23Å; F621-F640 HydrophobicContact CE1-CD1 4.2Å; F621-F640 AromaticContact CE1-CE1 3.97Å; F621-F640 HydrophobicContact CE1-CE1 3.97Å; P637-F640 WeakPolarHBondContact O-CB 3.22Å; P637-F640 PolarHBondContact O-N 2.87Å; W638-F640 VanDerWaalsContact C-N 3.29Å; W638-F640 PolarHBondContact O-N 2.89Å; F640-E642 VanDerWaalsContact C-N 3.29Å; F640-E642 PolarHBondContact O-N 2.85Å; F640-S643 WeakPolarHBondContact O-CB 3.43Å; F640-S643 PolarHBondContact O-N 3.15Å; F640-S643 VanDerWaalsContact O-N 3.08Å; F640-V644 HydrophobicContact CD2-CG2 4.11Å; F640-V644 HydrophobicContact CE1-CG2 4.42Å; F640-V644 HydrophobicContact CE2-CG2 3.56Å; F640-V644 HydrophobicContact CZ-CG2 3.75Å; F640-V644 PolarHBondContact O-N 3.19Å; F640-L723 HydrophobicContact CE1-CB 4.13Å; F640-L723 HydrophobicContact CE1-CD2 4.29Å; F640-L723 HydrophobicContact CZ-CB 4.43Å; F640-L723 WeakPolarHBondContact CZ-O 3.38Å; F640-V729 HydrophobicContact CD2-CG1 4.14Å; F640-V729 HydrophobicContact CE2-CG1 4.03Å; F640-V730 HydrophobicContact CE2-CG2 3.97Å; F640-V730 HydrophobicContact CZ-CG2 3.84Å; F640-W733 HydrophobicContact CB-CD2 3.97Å; F640-W733 HydrophobicContact CB-CE3 3.84Å; F640-W733 HydrophobicContact CB-CG 4.28Å; F640-W733 HydrophobicContact CB-CZ3 4.35Å; F640-W733 HydrophobicContact CD2-CB 3.74Å; F640-W733 AromaticContact CD2-CD1 3.85Å; F640-W733 HydrophobicContact CD2-CD2 4.22Å; F640-W733 AromaticContact CD2-CG 3.68Å; F640-W733 HydrophobicContact CD2-CG 3.68Å; F640-W733 HydrophobicContact CE2-CB 4.38Å; F640-W733 HydrophobicContact CG-CB 4.45Å; F640-W733 HydrophobicContact CG-CG 4.42Å; F640-Y734 HydrophobicContact CB-CE2 4.43Å; F640-Y734 AromaticContact CD1-CE2 3.74Å; F640-Y734 HydrophobicContact CD1-CE2 3.74Å; F640-Y734 HydrophobicContact CD2-CD2 4.39Å; F640-Y734 AromaticContact CD2-CE2 3.84Å; F640-Y734 HydrophobicContact CD2-CE2 3.84Å; F640-Y734 AromaticContact CE1-CE2 3.85Å; F640-Y734 HydrophobicContact CE1-CE2 3.85Å; F640-Y734 HydrophobicContact CE2-CD2 4.27Å; F640-Y734 AromaticContact CE2-CE2 3.95Å; F640-Y734 HydrophobicContact CE2-CE2 3.95Å; F640-Y734 AromaticContact CG-CE2 3.72Å; F640-Y734 HydrophobicContact CG-CE2 3.72Å; F640-Y734 HydrophobicContact CZ-CD2 4.45Å; F640-Y734 AromaticContact CZ-CE2 3.95Å; F640-Y734 HydrophobicContact CZ-CE2 3.95Å; F640-I740 HydrophobicContact CE1-CG2 4.3Å; F640-I740 HydrophobicContact CZ-CG2 4.03Å
641	I	94.2	Very high	75.5	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-56.9	-46.1	175.8	-65.9	168.9	0	0	0	110.3	P637 W638 S643 V644 A645 F703 F706 L723	P637-I641 PolarHBondContact O-N 3.23Å; W638-I641 HydrophobicContact CE3-CD1 4.5Å; W638-I641 HydrophobicContact CZ3-CG2 4.45Å; W638-I641 PolarHBondContact O-N 2.98Å; I641-S643 VanDerWaalsContact C-N 3.32Å; I641-S643 PolarHBondContact O-N 2.75Å; I641-V644 PolarHBondContact O-N 3.06Å; I641-A645 WeakPolarHBondContact O-CB 2.73Å; I641-A645 PolarHBondContact O-N 2.63Å; I641-F703 HydrophobicContact CD1-CD2 3.78Å; I641-F703 HydrophobicContact CD1-CE2 3.78Å; I641-F706 HydrophobicContact CD1-CD1 4.03Å; I641-F706 HydrophobicContact CD1-CE1 3.97Å; I641-F706 HydrophobicContact CG2-CE1 4.4Å; I641-F706 HydrophobicContact CG2-CE2 4.18Å; I641-F706 HydrophobicContact CG2-CZ 4.09Å; I641-L723 HydrophobicContact CB-CD2 4.36Å; I641-L723 HydrophobicContact CG1-CD1 4.06Å; I641-L723 HydrophobicContact CG1-CD2 4.07Å; I641-L723 HydrophobicContact CG2-CD2 4.37Å
642	E	91	Very high	75.7	Confident	56 Å²	56	54 Å²	54	26%	0.262	28%	0.278	S	S	.	.	H	α-helix	trans	-60.9	-39	175.9	174.7	159.7	-143.2	0	0	112.5	W638 F640 S646 W685 N689	W638-E642 WeakPolarHBondContact O-CB 3.41Å; W638-E642 PolarHBondContact O-N 2.92Å; F640-E642 VanDerWaalsContact C-N 3.29Å; F640-E642 PolarHBondContact O-N 2.85Å; E642-S646 WeakPolarHBondContact O-CB 3.22Å; E642-S646 PolarHBondContact O-N 3.21Å; E642-S646 PolarHBondContact O-OG 2.92Å; E642-W685 HydrophobicContact CG-CZ2 4.13Å; E642-N689 PolarHBondContact OE1-ND2 3.18Å
643	S	90.2	Very high	75.9	Confident	21 Å²	21	52 Å²	52	15%	0.147	26%	0.255	C	S	.	.	H	α-helix	trans	-65.4	-39.1	174.7	-171.1	0	0	0	0	112.5	L639 F640 I641 E647 V729 W733	L639-S643 WeakPolarHBondContact O-CB 3.39Å; L639-S643 PolarHBondContact O-N 2.86Å; F640-S643 WeakPolarHBondContact O-CB 3.43Å; F640-S643 PolarHBondContact O-N 3.15Å; F640-S643 VanDerWaalsContact O-N 3.08Å; I641-S643 VanDerWaalsContact C-N 3.32Å; I641-S643 PolarHBondContact O-N 2.75Å; S643-E647 WeakPolarHBondContact O-CB 3.48Å; S643-E647 PolarHBondContact O-N 2.98Å; S643-E647 VanDerWaalsContact O-N 3.16Å; S643-V729 WeakPolarHBondContact OG-CG1 3.47Å; S643-W733 PolarHBondContact OG-NE1 2.93Å
644	V	89.7	Confident	75.8	Confident	1 Å²	1	47 Å²	47	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-69.8	-50.3	177.2	175.9	0	0	0	0	110.4	F640 I641 S646 E647 E648 L723 A726 V729	F640-V644 HydrophobicContact CD2-CG2 4.11Å; F640-V644 HydrophobicContact CE1-CG2 4.42Å; F640-V644 HydrophobicContact CE2-CG2 3.56Å; F640-V644 HydrophobicContact CZ-CG2 3.75Å; F640-V644 PolarHBondContact O-N 3.19Å; I641-V644 PolarHBondContact O-N 3.06Å; V644-S646 PolarHBondContact O-N 3.45Å; V644-E647 PolarHBondContact O-N 3.27Å; V644-E647 VanDerWaalsContact O-N 3.08Å; V644-E648 HydrophobicContact CG1-CG 4.23Å; V644-E648 PolarHBondContact O-N 3.2Å; V644-L723 HydrophobicContact CB-CD2 3.81Å; V644-L723 HydrophobicContact CG1-CD2 3.95Å; V644-L723 HydrophobicContact CG2-CD2 3.99Å; V644-A726 HydrophobicContact CB-CB 4.39Å; V644-A726 HydrophobicContact CG1-CB 3.73Å; V644-A726 HydrophobicContact CG2-CB 3.8Å; V644-V729 HydrophobicContact CG2-CB 4.09Å; V644-V729 HydrophobicContact CG2-CG1 3.74Å
645	A	86.5	Confident	75.5	Confident	3 Å²	3	43.5 Å²	43.5	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-34.6	179.2	0	0	0	0	0	112.4	I641 W685	I641-A645 WeakPolarHBondContact O-CB 2.73Å; I641-A645 PolarHBondContact O-N 2.63Å; A645-W685 HydrophobicContact CB-CB 3.91Å; A645-W685 HydrophobicContact CB-CD2 3.78Å; A645-W685 HydrophobicContact CB-CE3 4.15Å; A645-W685 HydrophobicContact CB-CG 3.65Å
646	S	80.7	Confident	74.2	Confident	49 Å²	49	43.1 Å²	43.1	34%	0.343	24%	0.243	S	C	.	.	H	α-helix	trans	-74.2	-33.3	176.1	-60.3	0	0	0	0	113.6	E642 V644	E642-S646 WeakPolarHBondContact O-CB 3.22Å; E642-S646 PolarHBondContact O-N 3.21Å; E642-S646 PolarHBondContact O-OG 2.92Å; V644-S646 PolarHBondContact O-N 3.45Å
647	E	74.5	Confident	72.5	Confident	46 Å²	46	46.2 Å²	46.2	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-82.1	-36.7	-177.8	-166.4	164	139.6	0	0	112.2	S643 V644 N649 C650 S728 V729 R732	S643-E647 WeakPolarHBondContact O-CB 3.48Å; S643-E647 PolarHBondContact O-N 2.98Å; S643-E647 VanDerWaalsContact O-N 3.16Å; V644-E647 PolarHBondContact O-N 3.27Å; V644-E647 VanDerWaalsContact O-N 3.08Å; E647-N649 PolarHBondContact O-N 3.45Å; E647-C650 WeakPolarHBondContact O-CB 3.48Å; E647-C650 PolarHBondContact O-N 3.42Å; E647-S728 PolarHBondContact OE1-OG 3.07Å; E647-V729 HydrophobicContact CB-CG2 4.05Å; E647-V729 HydrophobicContact CG-CG2 4.16Å; E647-V729 VanDerWaalsContact OE2-CG2 3.22Å; E647-V729 WeakPolarHBondContact OE2-CG2 3.37Å; E647-R732 IonicContact OE2-NH2 2.85Å
648	E	62.6	Low	70.9	Confident	55 Å²	55	50.4 Å²	50.4	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-64.9	-27.8	172.7	-68.2	-54.7	127.4	0	0	112	V644 C650 K651 I653	V644-E648 HydrophobicContact CG1-CG 4.23Å; V644-E648 PolarHBondContact O-N 3.2Å; E648-C650 PolarHBondContact O-N 3.07Å; E648-K651 PolarHBondContact O-N 3.34Å; E648-K651 IonicContact OE1-NZ 3.02Å; E648-I653 HydrophobicContact CB-CD1 4.19Å
649	N	57.1	Low	69.3	Low	37 Å²	37	52.7 Å²	52.7	20%	0.198	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.9	169.8	175.5	66.4	0	0	0	113.6	E647 Y682	E647-N649 PolarHBondContact O-N 3.45Å; N649-Y682 HydrophobicContact CB-CD2 4.21Å; N649-Y682 HydrophobicContact CB-CE2 3.89Å
650	C	53.3	Low	67.6	Low	106 Å²	106	50.3 Å²	50.3	72%	0.716	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-17.7	179.3	-72.6	0	0	0	0	114.5	E647 E648	E647-C650 WeakPolarHBondContact O-CB 3.48Å; E647-C650 PolarHBondContact O-N 3.42Å; E648-C650 PolarHBondContact O-N 3.07Å
651	K	55.8	Low	65.9	Low	107 Å²	107	54 Å²	54	47%	0.465	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-51.7	-172.3	-69.4	179.6	-170.6	157.3	0	113.1	E648	E648-K651 PolarHBondContact O-N 3.34Å; E648-K651 IonicContact OE1-NZ 3.02Å
652	D	51.2	Low	64.1	Low	144 Å²	144	57.6 Å²	57.6	77%	0.77	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147	5.2	-175	-76	-57.1	0	0	0	115.8
653	I	49.9	Very low	62.4	Low	14 Å²	14	55.9 Å²	55.9	7%	0.072	31%	0.306	C	S	.	.			trans	-101.9	-1.4	-171	-57.6	177.5	0	0	0	113	E648 P655 V656 K657 E678	E648-I653 HydrophobicContact CB-CD1 4.19Å; I653-P655 VanDerWaalsContact C-CD 3.43Å; I653-P655 VanDerWaalsContact C-N 3.33Å; I653-V656 HydrophobicContact CB-CB 4.42Å; I653-V656 HydrophobicContact CG2-CB 3.63Å; I653-V656 HydrophobicContact CG2-CG1 3.99Å; I653-V656 HydrophobicContact CG2-CG2 4.17Å; I653-V656 CarbonylContact O-C 3.56Å; I653-V656 WeakPolarHBondContact O-CA 3.35Å; I653-V656 VanDerWaalsContact O-CB 3.32Å; I653-V656 WeakPolarHBondContact O-CB 3.34Å; I653-V656 PolarHBondContact O-N 3.16Å; I653-K657 PolarHBondContact O-N 3.25Å; I653-E678 HydrophobicContact CD1-CB 4.29Å
654	C	51	Low	60.6	Low	77 Å²	77	60.9 Å²	60.9	52%	0.52	33%	0.327	S	S	.	.	H	α-helix	trans	-52.8	-40.9	176.3	-170.9	0	0	0	0	114	V656 N658	C654-V656 VanDerWaalsContact C-N 3.34Å; C654-V656 PolarHBondContact O-N 2.76Å; C654-N658 WeakPolarHBondContact O-CB 3.39Å; C654-N658 PolarHBondContact O-N 2.78Å; C654-N658 VanDerWaalsContact O-N 3.08Å; C654-N658 PolarHBondContact O-ND2 3.26Å
655	P	54.1	Low	58.8	Low	91 Å²	91	62.9 Å²	62.9	59%	0.591	34%	0.339	S	S	*	.	H	α-helix	trans	-64.9	-36.9	172.8	-19.5	32.7	0	0	0	112.8	I653 R659	I653-P655 VanDerWaalsContact C-CD 3.43Å; I653-P655 VanDerWaalsContact C-N 3.33Å; P655-R659 WeakPolarHBondContact O-CB 3.31Å; P655-R659 PolarHBondContact O-N 3.34Å
656	V	54.5	Low	57.1	Low	14 Å²	14	65.2 Å²	65.2	9%	0.085	35%	0.349	C	S	.	.	H	α-helix	trans	-68.2	-45.5	178.2	178.2	0	0	0	0	110.6	I653 C654 R659 L660 E679	I653-V656 HydrophobicContact CB-CB 4.42Å; I653-V656 HydrophobicContact CG2-CB 3.63Å; I653-V656 HydrophobicContact CG2-CG1 3.99Å; I653-V656 HydrophobicContact CG2-CG2 4.17Å; I653-V656 CarbonylContact O-C 3.56Å; I653-V656 WeakPolarHBondContact O-CA 3.35Å; I653-V656 VanDerWaalsContact O-CB 3.32Å; I653-V656 WeakPolarHBondContact O-CB 3.34Å; I653-V656 PolarHBondContact O-N 3.16Å; C654-V656 VanDerWaalsContact C-N 3.34Å; C654-V656 PolarHBondContact O-N 2.76Å; V656-R659 CarbonylContact O-C 3.44Å; V656-R659 PolarHBondContact O-N 2.8Å; V656-L660 HydrophobicContact CG1-CD1 3.71Å; V656-L660 HydrophobicContact CG1-CG 4.01Å; V656-L660 WeakPolarHBondContact O-CB 3.37Å; V656-L660 VanDerWaalsContact O-CG 3.32Å; V656-L660 WeakPolarHBondContact O-CG 3.32Å; V656-L660 PolarHBondContact O-N 3.04Å; V656-E679 HydrophobicContact CB-CG 4.41Å; V656-E679 HydrophobicContact CG1-CB 4.04Å; V656-E679 HydrophobicContact CG1-CG 3.58Å; V656-E679 WeakPolarHBondContact CG1-OE1 3.45Å; V656-E679 HydrophobicContact CG2-CG 4.01Å; V656-E679 WeakPolarHBondContact CG2-OE1 3.42Å
657	K	53	Low	55.5	Low	82 Å²	82	71 Å²	71	36%	0.357	37%	0.37	S	S	.	.	H	α-helix	trans	-61.1	-48	177.3	179.8	-174.6	177.8	-177	0	111	I653 R659 M661 Y682	I653-K657 PolarHBondContact O-N 3.25Å; K657-R659 VanDerWaalsContact C-N 3.32Å; K657-M661 HydrophobicContact CG-CG 4.45Å; K657-M661 WeakPolarHBondContact O-CB 3.38Å; K657-M661 VanDerWaalsContact O-CG 3.23Å; K657-M661 WeakPolarHBondContact O-CG 3.48Å; K657-M661 PolarHBondContact O-N 2.7Å; K657-Y682 WeakPolarHBondContact CD-OH 3.4Å; K657-Y682 HydrophobicContact CG-CE1 4.35Å
658	N	59.4	Low	54.2	Low	88 Å²	88	73.5 Å²	73.5	47%	0.471	39%	0.385	S	S	.	.	H	α-helix	trans	-60.1	-46.8	175.4	-70	-19.3	0	0	0	109.4	C654 M661 L662	C654-N658 WeakPolarHBondContact O-CB 3.39Å; C654-N658 PolarHBondContact O-N 2.78Å; C654-N658 VanDerWaalsContact O-N 3.08Å; C654-N658 PolarHBondContact O-ND2 3.26Å; N658-M661 PolarHBondContact O-N 3.34Å; N658-L662 VanDerWaalsContact O-CB 3.24Å; N658-L662 WeakPolarHBondContact O-CB 3.45Å; N658-L662 VanDerWaalsContact O-CD1 3.3Å; N658-L662 WeakPolarHBondContact O-CD1 3.32Å; N658-L662 WeakPolarHBondContact O-CG 3.27Å; N658-L662 PolarHBondContact O-N 3.11Å
659	R	60.8	Low	53.4	Low	48 Å²	48	78 Å²	78	18%	0.181	41%	0.41	C	S	.	.	H	α-helix	trans	-59.5	-54.4	177.1	-170.9	-174.5	81.6	-126.8	7.4	113	P655 V656 K657 M661 L662 C663 E670 R673 E679	P655-R659 WeakPolarHBondContact O-CB 3.31Å; P655-R659 PolarHBondContact O-N 3.34Å; V656-R659 CarbonylContact O-C 3.44Å; V656-R659 PolarHBondContact O-N 2.8Å; K657-R659 VanDerWaalsContact C-N 3.32Å; R659-M661 VanDerWaalsContact C-N 3.33Å; R659-M661 PolarHBondContact O-N 3.18Å; R659-L662 CarbonylContact O-C 3.52Å; R659-L662 WeakPolarHBondContact O-CA 3.32Å; R659-L662 WeakPolarHBondContact O-CB 3.26Å; R659-L662 PolarHBondContact O-N 3.31Å; R659-C663 WeakPolarHBondContact O-CB 3.45Å; R659-C663 PolarHBondContact O-N 2.84Å; R659-C663 PolarHBondContact O-SG 3.11Å; R659-E670 IonicContact NE-OE1 2.83Å; R659-E670 PolarHBondContact NE-OE1 2.94Å; R659-R673 VanDerWaalsContact NH2-CZ 3.27Å; R659-E679 IonicContact CZ-OE1 3.45Å; R659-E679 IonicContact NH1-OE1 2.88Å; R659-E679 PolarHBondContact NH1-OE1 3.1Å; R659-E679 IonicContact NH2-OE1 3.54Å; R659-E679 PolarHBondContact NH2-OE1 3.12Å; R659-E679 IonicContact NH2-OE2 3.22Å
660	L	56.6	Low	53.1	Low	17 Å²	17	77.8 Å²	77.8	9%	0.089	41%	0.408	C	S	.	.	H	α-helix	trans	-59.3	-43.8	179.6	-72.1	175.5	0	0	0	111.3	V656 Q664 L675	V656-L660 HydrophobicContact CG1-CD1 3.71Å; V656-L660 HydrophobicContact CG1-CG 4.01Å; V656-L660 WeakPolarHBondContact O-CB 3.37Å; V656-L660 VanDerWaalsContact O-CG 3.32Å; V656-L660 WeakPolarHBondContact O-CG 3.32Å; V656-L660 PolarHBondContact O-N 3.04Å; L660-Q664 WeakPolarHBondContact O-CB 3.22Å; L660-Q664 PolarHBondContact O-N 3.04Å; L660-L675 HydrophobicContact CD2-CD2 4.29Å
661	M	57.6	Low	52.8	Low	78 Å²	78	77.1 Å²	77.1	38%	0.384	40%	0.397	S	S	.	.	H	α-helix	trans	-62.3	-43.2	173.4	-76.4	-72.6	-62	0	0	111.2	K657 N658 R659 T665	K657-M661 HydrophobicContact CG-CG 4.45Å; K657-M661 WeakPolarHBondContact O-CB 3.38Å; K657-M661 VanDerWaalsContact O-CG 3.23Å; K657-M661 WeakPolarHBondContact O-CG 3.48Å; K657-M661 PolarHBondContact O-N 2.7Å; N658-M661 PolarHBondContact O-N 3.34Å; R659-M661 VanDerWaalsContact C-N 3.33Å; R659-M661 PolarHBondContact O-N 3.18Å; M661-T665 WeakPolarHBondContact O-CB 3.32Å; M661-T665 PolarHBondContact O-N 3.46Å; M661-T665 PolarHBondContact O-OG1 3.06Å
662	L	55.7	Low	52.8	Low	76 Å²	76	75.3 Å²	75.3	40%	0.398	41%	0.41	S	S	.	.	H	α-helix	trans	-65	-49	177.6	-69.1	163.8	0	0	0	110.8	N658 R659 Q664 T665 F666	N658-L662 VanDerWaalsContact O-CB 3.24Å; N658-L662 WeakPolarHBondContact O-CB 3.45Å; N658-L662 VanDerWaalsContact O-CD1 3.3Å; N658-L662 WeakPolarHBondContact O-CD1 3.32Å; N658-L662 WeakPolarHBondContact O-CG 3.27Å; N658-L662 PolarHBondContact O-N 3.11Å; R659-L662 CarbonylContact O-C 3.52Å; R659-L662 WeakPolarHBondContact O-CA 3.32Å; R659-L662 WeakPolarHBondContact O-CB 3.26Å; R659-L662 PolarHBondContact O-N 3.31Å; L662-Q664 PolarHBondContact O-N 3.36Å; L662-T665 PolarHBondContact O-N 3.41Å; L662-F666 HydrophobicContact CB-CD2 4.11Å; L662-F666 HydrophobicContact CB-CE2 4.38Å; L662-F666 HydrophobicContact CD2-CD2 4.05Å; L662-F666 HydrophobicContact CD2-CE2 3.44Å; L662-F666 VanDerWaalsContact CD2-CE2 3.44Å; L662-F666 HydrophobicContact CD2-CZ 4.49Å; L662-F666 HydrophobicContact CG-CE2 4.5Å; L662-F666 VanDerWaalsContact O-CB 3.24Å; L662-F666 WeakPolarHBondContact O-CB 3.49Å; L662-F666 WeakPolarHBondContact O-CD2 3.33Å; L662-F666 WeakPolarHBondContact O-CG 3.28Å; L662-F666 PolarHBondContact O-N 3.17Å
663	C	56.3	Low	53.5	Low	20 Å²	20	74.4 Å²	74.4	14%	0.135	40%	0.395	C	S	.	.	H	α-helix	trans	-63.3	-40.8	179	-63.2	0	0	0	0	111.7	R659 Q667 L668 E670	R659-C663 WeakPolarHBondContact O-CB 3.45Å; R659-C663 PolarHBondContact O-N 2.84Å; R659-C663 PolarHBondContact O-SG 3.11Å; C663-Q667 VanDerWaalsContact O-CA 3.25Å; C663-Q667 WeakPolarHBondContact O-CA 3.25Å; C663-Q667 PolarHBondContact O-N 3.32Å; C663-L668 HydrophobicContact CB-CB 4.28Å; C663-L668 PolarHBondContact O-N 3.39Å; C663-L668 VanDerWaalsContact O-N 3.13Å; C663-E670 HydrophobicContact CB-CG 3.89Å; C663-E670 PolarHBondContact SG-OE1 3.01Å
664	Q	53.3	Low	54.5	Low	126 Å²	126	75.6 Å²	75.6	59%	0.589	40%	0.402	S	S	*	.	H	α-helix	trans	-68.3	-39.7	173.4	-171.6	176.6	4.2	0	0	112.3	L660 L662	L660-Q664 WeakPolarHBondContact O-CB 3.22Å; L660-Q664 PolarHBondContact O-N 3.04Å; L662-Q664 PolarHBondContact O-N 3.36Å
665	T	50.7	Low	55.9	Low	42 Å²	42	72.2 Å²	72.2	26%	0.258	38%	0.378	S	S	.	.	H	α-helix	trans	-70.4	-34.8	179.7	-59.4	0	0	0	0	111.9	M661 L662 I780 L788	M661-T665 WeakPolarHBondContact O-CB 3.32Å; M661-T665 PolarHBondContact O-N 3.46Å; M661-T665 PolarHBondContact O-OG1 3.06Å; L662-T665 PolarHBondContact O-N 3.41Å; T665-I780 HydrophobicContact CG2-CD1 4.02Å; T665-I780 HydrophobicContact CG2-CG1 4.48Å; T665-L788 HydrophobicContact CG2-CD1 4.27Å
666	F	51.6	Low	57.3	Low	53 Å²	53	69.5 Å²	69.5	23%	0.232	36%	0.36	C	S	.	.	H	α-helix	trans	-107	3.7	-173.6	-63.7	-52.8	0	0	0	114.3	L662 L668 L788 F794	L662-F666 HydrophobicContact CB-CD2 4.11Å; L662-F666 HydrophobicContact CB-CE2 4.38Å; L662-F666 HydrophobicContact CD2-CD2 4.05Å; L662-F666 HydrophobicContact CD2-CE2 3.44Å; L662-F666 VanDerWaalsContact CD2-CE2 3.44Å; L662-F666 HydrophobicContact CD2-CZ 4.49Å; L662-F666 HydrophobicContact CG-CE2 4.5Å; L662-F666 VanDerWaalsContact O-CB 3.24Å; L662-F666 WeakPolarHBondContact O-CB 3.49Å; L662-F666 WeakPolarHBondContact O-CD2 3.33Å; L662-F666 WeakPolarHBondContact O-CG 3.28Å; L662-F666 PolarHBondContact O-N 3.17Å; F666-L668 HydrophobicContact CB-CD1 4.15Å; F666-L668 HydrophobicContact CB-CD2 4.27Å; F666-L668 HydrophobicContact CB-CG 3.77Å; F666-L668 PolarHBondContact O-N 3.06Å; F666-L668 VanDerWaalsContact O-N 3.13Å; F666-L788 HydrophobicContact CE1-CD1 4.28Å; F666-L788 HydrophobicContact CZ-CD1 4.07Å; F666-L788 HydrophobicContact CZ-CD2 3.69Å; F666-F794 HydrophobicContact CD1-CD2 4.14Å; F666-F794 HydrophobicContact CD1-CE1 4.26Å; F666-F794 AromaticContact CD1-CE2 3.37Å; F666-F794 HydrophobicContact CD1-CE2 3.37Å; F666-F794 AromaticContact CD1-CZ 3.41Å; F666-F794 HydrophobicContact CD1-CZ 3.41Å; F666-F794 VanDerWaalsContact CD1-CZ 3.41Å; F666-F794 HydrophobicContact CD2-CE2 4.46Å; F666-F794 AromaticContact CE1-CD2 3.33Å; F666-F794 HydrophobicContact CE1-CD2 3.33Å; F666-F794 HydrophobicContact CE1-CE1 4.36Å; F666-F794 AromaticContact CE1-CE2 2.88Å; F666-F794 HydrophobicContact CE1-CE2 2.88Å; F666-F794 HydrophobicContact CE1-CG 4.29Å; F666-F794 AromaticContact CE1-CZ 3.47Å; F666-F794 HydrophobicContact CE1-CZ 3.47Å; F666-F794 VanDerWaalsContact CE1-CZ 3.47Å; F666-F794 HydrophobicContact CE2-CE2 4.03Å; F666-F794 HydrophobicContact CG-CE2 4.17Å; F666-F794 HydrophobicContact CG-CZ 4.13Å; F666-F794 AromaticContact CZ-CD2 3.75Å; F666-F794 HydrophobicContact CZ-CD2 3.75Å; F666-F794 AromaticContact CZ-CE2 3.26Å; F666-F794 HydrophobicContact CZ-CE2 3.26Å; F666-F794 HydrophobicContact CZ-CZ 4.15Å
667	Q	46.6	Very low	59	Low	170 Å²	170	69 Å²	69	79%	0.794	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	38.1	-175.9	-56.1	176.1	20.3	0	0	111.8	C663 D669	C663-Q667 VanDerWaalsContact O-CA 3.25Å; C663-Q667 WeakPolarHBondContact O-CA 3.25Å; C663-Q667 PolarHBondContact O-N 3.32Å; Q667-D669 PolarHBondContact O-N 3.31Å
668	L	47.9	Very low	60.5	Low	98 Å²	98	68.3 Å²	68.3	51%	0.513	36%	0.355	S	S	.	.			trans	-69.4	127.2	179	-63.2	167.8	0	0	0	108.2	C663 F666 E670	C663-L668 HydrophobicContact CB-CB 4.28Å; C663-L668 PolarHBondContact O-N 3.39Å; C663-L668 VanDerWaalsContact O-N 3.13Å; F666-L668 HydrophobicContact CB-CD1 4.15Å; F666-L668 HydrophobicContact CB-CD2 4.27Å; F666-L668 HydrophobicContact CB-CG 3.77Å; F666-L668 PolarHBondContact O-N 3.06Å; F666-L668 VanDerWaalsContact O-N 3.13Å; L668-E670 PolarHBondContact O-N 2.91Å
669	D	45	Very low	61.6	Low	149 Å²	149	64.5 Å²	64.5	80%	0.797	33%	0.334	S	S	*	.			trans	-59	104.5	172.7	-70	-31	0	0	0	109.3	Q667 D671	Q667-D669 PolarHBondContact O-N 3.31Å; D669-D671 PolarHBondContact O-N 3.42Å
670	E	50.8	Low	62.8	Low	34 Å²	34	62.2 Å²	62.2	16%	0.159	33%	0.326	C	S	.	.			trans	-86.4	30.9	166.5	-70.2	-161.9	151	0	0	110.9	Q589 R659 C663 L668 G672 R673	Q589-E670 PolarHBondContact NE2-OE2 2.74Å; Q589-E670 PolarHBondContact OE1-OE2 3.11Å; R659-E670 IonicContact NE-OE1 2.83Å; R659-E670 PolarHBondContact NE-OE1 2.94Å; C663-E670 HydrophobicContact CB-CG 3.89Å; C663-E670 PolarHBondContact SG-OE1 3.01Å; L668-E670 PolarHBondContact O-N 2.91Å; E670-G672 PolarHBondContact O-N 2.81Å; E670-G672 VanDerWaalsContact O-N 3.08Å; E670-R673 PolarHBondContact O-N 3.06Å
671	D	47.6	Very low	64.3	Low	91 Å²	91	61.7 Å²	61.7	49%	0.487	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	115.7	-176.5	-102.1	24.1	0	0	0	110.4	R561 D669	R561-D671 IonicContact CZ-OD2 3.22Å; R561-D671 IonicContact NH1-OD2 3.4Å; R561-D671 IonicContact NH2-OD2 2.88Å; R561-D671 PolarHBondContact NH2-OD2 3.02Å; D669-D671 PolarHBondContact O-N 3.42Å
672	G	55	Low	65.6	Low	70 Å²	70	58.9 Å²	58.9	72%	0.722	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	-6.9	171.9	0	0	0	0	0	116.9	E670	E670-G672 PolarHBondContact O-N 2.81Å; E670-G672 VanDerWaalsContact O-N 3.08Å
673	R	65.6	Low	66.9	Low	124 Å²	124	57.2 Å²	57.2	47%	0.468	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-83.5	119.8	173.5	-175.9	177.1	172.4	156.6	-0.9	111.1	R659 E670 L675 E679	R659-R673 VanDerWaalsContact NH2-CZ 3.27Å; E670-R673 PolarHBondContact O-N 3.06Å; R673-L675 PolarHBondContact O-N 3.35Å; R673-E679 IonicContact CZ-OE1 3.95Å; R673-E679 IonicContact NH2-OE1 3.7Å; R673-E679 PolarHBondContact NH2-OE1 2.68Å; R673-E679 VanDerWaalsContact NH2-OE1 3.13Å; R673-E679 IonicContact NH2-OE2 3.38Å
674	I	72.3	Confident	68.5	Low	40 Å²	40	56.3 Å²	56.3	21%	0.205	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-78.4	120.7	170	-58.1	170.6	0	0	0	107.9	Y523 L524 H527 Q528	Y523-I674 HydrophobicContact CE1-CG2 3.74Å; L524-I674 HydrophobicContact CD2-CB 4.38Å; L524-I674 HydrophobicContact CD2-CD1 4.46Å; L524-I674 HydrophobicContact CD2-CG2 3.93Å; H527-I674 HydrophobicContact CB-CB 4.46Å; H527-I674 HydrophobicContact CB-CD1 3.7Å; H527-I674 HydrophobicContact CB-CG1 3.89Å; H527-I674 HydrophobicContact CB-CG2 3.73Å; Q528-I674 HydrophobicContact CB-CD1 4.3Å; Q528-I674 HydrophobicContact CG-CD1 3.37Å
675	L	79.2	Confident	70.2	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.026	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-67.3	146.1	174.4	-67.7	-179.3	0	0	0	109.6	Y523 Q589 L660 R673 E679 L680 K683	Y523-L675 WeakPolarHBondContact CE1-O 3.1Å; Y523-L675 PolarHBondContact OH-O 3.14Å; Q589-L675 HydrophobicContact CB-CD1 3.82Å; Q589-L675 HydrophobicContact CG-CD1 4.06Å; Q589-L675 HydrophobicContact CG-CG 4.44Å; L660-L675 HydrophobicContact CD2-CD2 4.29Å; R673-L675 PolarHBondContact O-N 3.35Å; L675-E679 WeakPolarHBondContact CA-OE2 3.21Å; L675-E679 HydrophobicContact CB-CB 4.19Å; L675-E679 HydrophobicContact CD2-CB 4.3Å; L675-E679 WeakPolarHBondContact CD2-OE2 3.45Å; L675-L680 HydrophobicContact CB-CD2 3.94Å; L675-L680 HydrophobicContact CB-CG 3.75Å; L675-L680 HydrophobicContact CD1-CD2 3.65Å; L675-L680 HydrophobicContact CD1-CG 4.31Å; L675-L680 HydrophobicContact CG-CD2 4.4Å; L675-K683 HydrophobicContact CD1-CD 4.05Å
676	T	83.9	Confident	71.8	Confident	35 Å²	35	53 Å²	53	22%	0.215	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-73	158	171.5	81.9	0	0	0	0	110.3	E678 E679 L680	T676-E678 WeakPolarHBondContact CB-OE2 3.49Å; T676-E678 PolarHBondContact O-N 3.45Å; T676-E678 VanDerWaalsContact O-N 3.15Å; T676-E678 PolarHBondContact OG1-N 3.32Å; T676-E678 PolarHBondContact OG1-OE2 3.2Å; T676-E679 HydrophobicContact CG2-CG 4.44Å; T676-E679 PolarHBondContact N-OE2 3.46Å; T676-E679 PolarHBondContact O-N 2.79Å; T676-E679 WeakPolarHBondContact OG1-CG 3.48Å; T676-E679 PolarHBondContact OG1-N 3.42Å; T676-L680 PolarHBondContact O-N 3Å
677	P	89.2	Confident	73.4	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.019	27%	0.272	C	S	.	.	H	α-helix	trans	-52.6	-33.7	174.3	-28.4	37.3	0	0	0	113.6	Y520 Y523 L681 V715 L718 W719 L722	Y520-P677 HydrophobicContact CD2-CG 4.24Å; Y520-P677 HydrophobicContact CE2-CG 4.12Å; Y523-P677 HydrophobicContact CD1-CG 4.27Å; Y523-P677 HydrophobicContact CE1-CG 4.21Å; P677-L681 VanDerWaalsContact O-CB 3.26Å; P677-L681 WeakPolarHBondContact O-CB 3.35Å; P677-L681 PolarHBondContact O-N 3.18Å; P677-V715 HydrophobicContact CB-CG2 3.78Å; P677-V715 HydrophobicContact CG-CG2 4.21Å; P677-L718 HydrophobicContact CB-CB 4.09Å; P677-L718 HydrophobicContact CB-CD1 4.41Å; P677-L718 HydrophobicContact CG-CB 4.29Å; P677-L718 HydrophobicContact CG-CD1 3.73Å; P677-W719 PolarHBondContact O-NE1 2.98Å; P677-L722 HydrophobicContact CB-CD1 3.98Å
678	E	85.5	Confident	75.5	Confident	68 Å²	68	45.3 Å²	45.3	32%	0.318	23%	0.234	S	C	.	.	H	α-helix	trans	-68.9	-46.3	174.8	-56.4	79.4	-179.5	0	0	112.2	I653 T676 L680 L681 Y682 L722	I653-E678 HydrophobicContact CD1-CB 4.29Å; T676-E678 WeakPolarHBondContact CB-OE2 3.49Å; T676-E678 PolarHBondContact O-N 3.45Å; T676-E678 VanDerWaalsContact O-N 3.15Å; T676-E678 PolarHBondContact OG1-N 3.32Å; T676-E678 PolarHBondContact OG1-OE2 3.2Å; E678-L680 VanDerWaalsContact C-N 3.31Å; E678-L680 PolarHBondContact O-N 3.2Å; E678-L681 PolarHBondContact O-N 3.29Å; E678-Y682 PolarHBondContact O-N 3.2Å; E678-Y682 VanDerWaalsContact O-N 3.09Å; E678-L722 HydrophobicContact CB-CD1 4.41Å; E678-L722 HydrophobicContact CG-CD1 3.8Å; E678-L722 HydrophobicContact CG-CD2 3.77Å; E678-L722 HydrophobicContact CG-CG 4.45Å; E678-L722 WeakPolarHBondContact OE1-CD2 3.48Å
679	E	82.1	Confident	77.4	Confident	7 Å²	7	41.5 Å²	41.5	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-43.3	175.3	-61.8	-176.1	128.8	0	0	110.1	V656 R659 R673 L675 T676 K683	V656-E679 HydrophobicContact CB-CG 4.41Å; V656-E679 HydrophobicContact CG1-CB 4.04Å; V656-E679 HydrophobicContact CG1-CG 3.58Å; V656-E679 WeakPolarHBondContact CG1-OE1 3.45Å; V656-E679 HydrophobicContact CG2-CG 4.01Å; V656-E679 WeakPolarHBondContact CG2-OE1 3.42Å; R659-E679 IonicContact CZ-OE1 3.45Å; R659-E679 IonicContact NH1-OE1 2.88Å; R659-E679 PolarHBondContact NH1-OE1 3.1Å; R659-E679 IonicContact NH2-OE1 3.54Å; R659-E679 PolarHBondContact NH2-OE1 3.12Å; R659-E679 IonicContact NH2-OE2 3.22Å; R673-E679 IonicContact CZ-OE1 3.95Å; R673-E679 IonicContact NH2-OE1 3.7Å; R673-E679 PolarHBondContact NH2-OE1 2.68Å; R673-E679 VanDerWaalsContact NH2-OE1 3.13Å; R673-E679 IonicContact NH2-OE2 3.38Å; L675-E679 WeakPolarHBondContact CA-OE2 3.21Å; L675-E679 HydrophobicContact CB-CB 4.19Å; L675-E679 HydrophobicContact CD2-CB 4.3Å; L675-E679 WeakPolarHBondContact CD2-OE2 3.45Å; T676-E679 HydrophobicContact CG2-CG 4.44Å; T676-E679 PolarHBondContact N-OE2 3.46Å; T676-E679 PolarHBondContact O-N 2.79Å; T676-E679 WeakPolarHBondContact OG1-CG 3.48Å; T676-E679 PolarHBondContact OG1-N 3.42Å; E679-K683 WeakPolarHBondContact O-CB 3.36Å; E679-K683 PolarHBondContact O-N 2.8Å
680	L	86.4	Confident	79.2	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-43.6	175.6	-78.1	178.9	0	0	0	112.8	Y523 Q589 L675 T676 E678 Y682 K683 A684 V715 W719	Y523-L680 HydrophobicContact CE2-CD1 4.12Å; Y523-L680 WeakPolarHBondContact OH-CD1 3.46Å; Q589-L680 WeakPolarHBondContact O-CD2 3.35Å; L675-L680 HydrophobicContact CB-CD2 3.94Å; L675-L680 HydrophobicContact CB-CG 3.75Å; L675-L680 HydrophobicContact CD1-CD2 3.65Å; L675-L680 HydrophobicContact CD1-CG 4.31Å; L675-L680 HydrophobicContact CG-CD2 4.4Å; T676-L680 PolarHBondContact O-N 3Å; E678-L680 VanDerWaalsContact C-N 3.31Å; E678-L680 PolarHBondContact O-N 3.2Å; L680-Y682 VanDerWaalsContact C-N 3.33Å; L680-Y682 PolarHBondContact O-N 3Å; L680-K683 PolarHBondContact O-N 2.99Å; L680-A684 WeakPolarHBondContact O-CB 3.37Å; L680-A684 PolarHBondContact O-N 3.27Å; L680-V715 HydrophobicContact CD1-CG1 4.41Å; L680-W719 HydrophobicContact CB-CZ2 4.06Å
681	L	89.2	Confident	80.8	Confident	5 Å²	5	35.6 Å²	35.6	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-57.5	-47.9	178.1	179.2	72.8	0	0	0	110.7	P677 E678 W685 F706 W719 L722	P677-L681 VanDerWaalsContact O-CB 3.26Å; P677-L681 WeakPolarHBondContact O-CB 3.35Å; P677-L681 PolarHBondContact O-N 3.18Å; E678-L681 PolarHBondContact O-N 3.29Å; L681-W685 WeakPolarHBondContact O-CB 3.31Å; L681-W685 PolarHBondContact O-N 3.25Å; L681-F706 HydrophobicContact CD1-CE2 3.61Å; L681-F706 HydrophobicContact CD1-CZ 3.43Å; L681-F706 VanDerWaalsContact CD1-CZ 3.43Å; L681-W719 HydrophobicContact CB-CG 4.46Å; L681-W719 HydrophobicContact CD1-CB 4.13Å; L681-W719 HydrophobicContact CD1-CD2 3.9Å; L681-W719 HydrophobicContact CD1-CE3 4.39Å; L681-W719 HydrophobicContact CD1-CG 3.77Å; L681-L722 HydrophobicContact CD2-CB 4.43Å; L681-L722 HydrophobicContact CD2-CD1 4.37Å
682	Y	84.4	Confident	82.8	Confident	20 Å²	20	31.3 Å²	31.3	8%	0.078	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-46.4	177.6	178.3	-96.7	0	0	0	111.7	N649 K657 E678 L680 A684 W685 H686	N649-Y682 HydrophobicContact CB-CD2 4.21Å; N649-Y682 HydrophobicContact CB-CE2 3.89Å; K657-Y682 WeakPolarHBondContact CD-OH 3.4Å; K657-Y682 HydrophobicContact CG-CE1 4.35Å; E678-Y682 PolarHBondContact O-N 3.2Å; E678-Y682 VanDerWaalsContact O-N 3.09Å; L680-Y682 VanDerWaalsContact C-N 3.33Å; L680-Y682 PolarHBondContact O-N 3Å; Y682-A684 PolarHBondContact O-N 3.37Å; Y682-W685 AromaticContact CD2-CE3 3.98Å; Y682-W685 HydrophobicContact CD2-CE3 3.98Å; Y682-W685 HydrophobicContact CD2-CZ3 4.09Å; Y682-W685 AromaticContact CE2-CE3 3.92Å; Y682-W685 HydrophobicContact CE2-CE3 3.92Å; Y682-W685 AromaticContact CE2-CZ3 3.56Å; Y682-W685 HydrophobicContact CE2-CZ3 3.56Å; Y682-W685 PolarHBondContact O-N 2.91Å; Y682-H686 WeakPolarHBondContact O-CB 3.44Å; Y682-H686 PolarHBondContact O-N 3.13Å
683	K	82.6	Confident	84.1	Confident	41 Å²	41	32 Å²	32	18%	0.178	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-44.4	-179.3	-163	-177.7	174.7	-178.7	0	111.4	L590 L675 E679 L680 H686 Y687	L590-K683 HydrophobicContact CD1-CD 4.05Å; L590-K683 HydrophobicContact CD1-CG 3.81Å; L590-K683 HydrophobicContact CD2-CB 4.47Å; L590-K683 HydrophobicContact CD2-CG 4.4Å; L590-K683 HydrophobicContact CG-CD 3.88Å; L590-K683 HydrophobicContact CG-CG 4.05Å; L675-K683 HydrophobicContact CD1-CD 4.05Å; E679-K683 WeakPolarHBondContact O-CB 3.36Å; E679-K683 PolarHBondContact O-N 2.8Å; L680-K683 PolarHBondContact O-N 2.99Å; K683-H686 PolarHBondContact O-N 3.5Å; K683-Y687 WeakPolarHBondContact O-CB 3.44Å; K683-Y687 PolarHBondContact O-N 3.29Å
684	A	89.4	Confident	84.9	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-45.9	177.1	0	0	0	0	0	111.9	L590 L680 Y682 Y687 I688 F706 L709 W719	L590-A684 HydrophobicContact CD2-CB 3.89Å; L680-A684 WeakPolarHBondContact O-CB 3.37Å; L680-A684 PolarHBondContact O-N 3.27Å; Y682-A684 PolarHBondContact O-N 3.37Å; A684-Y687 PolarHBondContact O-N 3.27Å; A684-I688 WeakPolarHBondContact O-CB 3.34Å; A684-I688 VanDerWaalsContact O-CG1 3.29Å; A684-I688 WeakPolarHBondContact O-CG1 3.44Å; A684-I688 PolarHBondContact O-N 3.03Å; A684-F706 HydrophobicContact CB-CD2 4.45Å; A684-L709 HydrophobicContact CB-CD1 4.03Å; A684-W719 HydrophobicContact CB-CH2 3.46Å; A684-W719 VanDerWaalsContact CB-CH2 3.46Å; A684-W719 HydrophobicContact CB-CZ2 3.93Å; A684-W719 HydrophobicContact CB-CZ3 4.26Å
685	W	89.9	Confident	85.4	Confident	29 Å²	29	31.2 Å²	31.2	11%	0.11	16%	0.156	C	C	.	.	H	α-helix	trans	-58.9	-48.6	175.1	164.7	75.7	0	0	0	112.1	W638 E642 A645 L681 Y682 I688 N689	W638-W685 AromaticContact CZ2-CD1 3.97Å; E642-W685 HydrophobicContact CG-CZ2 4.13Å; A645-W685 HydrophobicContact CB-CB 3.91Å; A645-W685 HydrophobicContact CB-CD2 3.78Å; A645-W685 HydrophobicContact CB-CE3 4.15Å; A645-W685 HydrophobicContact CB-CG 3.65Å; L681-W685 WeakPolarHBondContact O-CB 3.31Å; L681-W685 PolarHBondContact O-N 3.25Å; Y682-W685 AromaticContact CD2-CE3 3.98Å; Y682-W685 HydrophobicContact CD2-CE3 3.98Å; Y682-W685 HydrophobicContact CD2-CZ3 4.09Å; Y682-W685 AromaticContact CE2-CE3 3.92Å; Y682-W685 HydrophobicContact CE2-CE3 3.92Å; Y682-W685 AromaticContact CE2-CZ3 3.56Å; Y682-W685 HydrophobicContact CE2-CZ3 3.56Å; Y682-W685 PolarHBondContact O-N 2.91Å; W685-I688 PolarHBondContact O-N 3.11Å; W685-N689 PolarHBondContact NE1-ND2 3.33Å; W685-N689 PolarHBondContact O-N 3.06Å
686	H	84.7	Confident	85.5	Confident	69 Å²	69	42 Å²	42	32%	0.319	20%	0.196	S	C	.	.	H	α-helix	trans	-62.7	-46.5	-179.9	-175.9	63.5	0	0	0	111.5	Y682 K683 I688 N689 L690	Y682-H686 WeakPolarHBondContact O-CB 3.44Å; Y682-H686 PolarHBondContact O-N 3.13Å; K683-H686 PolarHBondContact O-N 3.5Å; H686-I688 PolarHBondContact O-N 2.84Å; H686-N689 PolarHBondContact O-N 3.04Å; H686-L690 VanDerWaalsContact O-CB 3.28Å; H686-L690 WeakPolarHBondContact O-CB 3.32Å; H686-L690 PolarHBondContact O-N 3.36Å
687	Y	84.5	Confident	85.5	Confident	62 Å²	62	41.3 Å²	41.3	24%	0.243	19%	0.194	C	C	.	.	H	α-helix	trans	-58.9	-47.2	177.9	178.2	-105.3	0	0	0	112.2	L590 D592 K683 A684 L690 T691 L709	L590-Y687 HydrophobicContact CD1-CD1 4.31Å; L590-Y687 HydrophobicContact CD1-CD2 4.28Å; L590-Y687 HydrophobicContact CD1-CG 3.86Å; D592-Y687 VanDerWaalsContact OD2-CE1 3.28Å; D592-Y687 WeakPolarHBondContact OD2-CE1 3.12Å; D592-Y687 VanDerWaalsContact OD2-CZ 3.22Å; D592-Y687 PolarHBondContact OD2-OH 2.68Å; K683-Y687 WeakPolarHBondContact O-CB 3.44Å; K683-Y687 PolarHBondContact O-N 3.29Å; A684-Y687 PolarHBondContact O-N 3.27Å; Y687-L690 PolarHBondContact O-N 2.9Å; Y687-T691 HydrophobicContact CD2-CG2 4.05Å; Y687-T691 HydrophobicContact CE1-CG2 4.14Å; Y687-T691 HydrophobicContact CE2-CG2 3.57Å; Y687-T691 WeakPolarHBondContact O-CB 3.44Å; Y687-T691 WeakPolarHBondContact O-CG2 3.45Å; Y687-T691 PolarHBondContact O-N 2.89Å; Y687-T691 PolarHBondContact O-OG1 3.26Å; Y687-L709 HydrophobicContact CD1-CD1 4.2Å
688	I	90.3	Very high	85.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-49.1	178.7	-72.4	168.9	0	0	0	110.6	W638 A684 W685 H686 L690 T691 H692 K702 F706 L709	W638-I688 HydrophobicContact CH2-CB 3.93Å; W638-I688 HydrophobicContact CH2-CD1 4.14Å; W638-I688 HydrophobicContact CH2-CG2 3.51Å; W638-I688 HydrophobicContact CZ2-CB 4.34Å; W638-I688 HydrophobicContact CZ2-CG2 3.72Å; W638-I688 HydrophobicContact CZ3-CG2 4.37Å; A684-I688 WeakPolarHBondContact O-CB 3.34Å; A684-I688 VanDerWaalsContact O-CG1 3.29Å; A684-I688 WeakPolarHBondContact O-CG1 3.44Å; A684-I688 PolarHBondContact O-N 3.03Å; W685-I688 PolarHBondContact O-N 3.11Å; H686-I688 PolarHBondContact O-N 2.84Å; I688-L690 VanDerWaalsContact C-N 3.26Å; I688-L690 PolarHBondContact O-N 3.38Å; I688-T691 PolarHBondContact O-N 2.63Å; I688-T691 PolarHBondContact O-OG1 3.47Å; I688-H692 HydrophobicContact CG2-CB 4.3Å; I688-H692 WeakPolarHBondContact O-CA 3.47Å; I688-H692 WeakPolarHBondContact O-CB 3.33Å; I688-H692 PolarHBondContact O-N 2.98Å; I688-H692 PolarHBondContact O-ND1 3.38Å; I688-K702 HydrophobicContact CG2-CB 3.69Å; I688-K702 HydrophobicContact CG2-CD 4.23Å; I688-K702 HydrophobicContact CG2-CG 3.79Å; I688-F706 HydrophobicContact CD1-CB 3.53Å; I688-F706 HydrophobicContact CD1-CD2 4.27Å; I688-F706 HydrophobicContact CD1-CG 4.43Å; I688-F706 VanDerWaalsContact CD1-N 3.3Å; I688-L709 HydrophobicContact CD1-CD1 3.77Å; I688-L709 HydrophobicContact CG1-CD1 3.94Å
689	N	87.1	Confident	85.6	Confident	18 Å²	18	44.7 Å²	44.7	10%	0.096	22%	0.217	C	C	.	.	H	α-helix	trans	-57	-44.3	177.7	-91.5	-8	0	0	0	110.8	W638 E642 W685 H686 D693 K702	W638-N689 WeakPolarHBondContact CZ2-OD1 3.34Å; W638-N689 PolarHBondContact NE1-OD1 3.3Å; E642-N689 PolarHBondContact OE1-ND2 3.18Å; W685-N689 PolarHBondContact NE1-ND2 3.33Å; W685-N689 PolarHBondContact O-N 3.06Å; H686-N689 PolarHBondContact O-N 3.04Å; N689-D693 WeakPolarHBondContact O-CB 3.46Å; N689-D693 PolarHBondContact O-N 3.33Å; N689-K702 PolarHBondContact OD1-NZ 2.88Å
690	L	84.7	Confident	85.9	Confident	57 Å²	57	46.8 Å²	46.8	30%	0.298	23%	0.229	S	C	.	.	H	α-helix	trans	-64.1	-48.6	179.4	-172.7	55.9	0	0	0	113.2	H686 Y687 I688 L694 L775	H686-L690 VanDerWaalsContact O-CB 3.28Å; H686-L690 WeakPolarHBondContact O-CB 3.32Å; H686-L690 PolarHBondContact O-N 3.36Å; Y687-L690 PolarHBondContact O-N 2.9Å; I688-L690 VanDerWaalsContact C-N 3.26Å; I688-L690 PolarHBondContact O-N 3.38Å; L690-L694 VanDerWaalsContact O-CD1 3.25Å; L690-L694 WeakPolarHBondContact O-CD1 3.46Å; L690-L694 WeakPolarHBondContact O-CG 3.32Å; L690-L775 HydrophobicContact CD2-CD1 4.17Å; L690-L775 HydrophobicContact CD2-CD2 3.35Å; L690-L775 HydrophobicContact CD2-CG 4.34Å; L690-L775 HydrophobicContact CG-CD1 4.01Å; L690-L775 HydrophobicContact CG-CD2 4.02Å
691	T	83.7	Confident	86.1	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-75.1	-42.1	-177.4	50.9	0	0	0	0	113	Y687 I688 L775	Y687-T691 HydrophobicContact CD2-CG2 4.05Å; Y687-T691 HydrophobicContact CE1-CG2 4.14Å; Y687-T691 HydrophobicContact CE2-CG2 3.57Å; Y687-T691 WeakPolarHBondContact O-CB 3.44Å; Y687-T691 WeakPolarHBondContact O-CG2 3.45Å; Y687-T691 PolarHBondContact O-N 2.89Å; Y687-T691 PolarHBondContact O-OG1 3.26Å; I688-T691 PolarHBondContact O-N 2.63Å; I688-T691 PolarHBondContact O-OG1 3.47Å; T691-L775 HydrophobicContact CG2-CD1 3.59Å
692	H	88.6	Confident	86.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-83	-30.7	-172.4	-69.4	54.8	0	0	0	112.6	I688 L694 C695 R696 A697 K702 S705	I688-H692 HydrophobicContact CG2-CB 4.3Å; I688-H692 WeakPolarHBondContact O-CA 3.47Å; I688-H692 WeakPolarHBondContact O-CB 3.33Å; I688-H692 PolarHBondContact O-N 2.98Å; I688-H692 PolarHBondContact O-ND1 3.38Å; H692-L694 VanDerWaalsContact C-N 3.34Å; H692-C695 CarbonylContact O-C 3.4Å; H692-C695 PolarHBondContact O-N 3.16Å; H692-R696 PolarHBondContact O-N 2.93Å; H692-A697 HydrophobicContact CB-CB 3.91Å; H692-A697 WeakPolarHBondContact O-CB 3.47Å; H692-A697 PolarHBondContact O-N 3.11Å; H692-K702 HydrophobicContact CB-CD 4.39Å; H692-K702 HydrophobicContact CB-CG 3.76Å; H692-S705 VanDerWaalsContact NE2-CB 3.28Å; H692-S705 WeakPolarHBondContact NE2-CB 3.46Å; H692-S705 PolarHBondContact NE2-OG 2.73Å
693	D	83.6	Confident	86.8	Confident	85 Å²	85	46.9 Å²	46.9	46%	0.455	23%	0.231	S	C	.	.	H	α-helix	trans	-68.8	-33.4	174.6	-73	-36.2	0	0	0	112.3	N689 C695 R696 K702	N689-D693 WeakPolarHBondContact O-CB 3.46Å; N689-D693 PolarHBondContact O-N 3.33Å; D693-C695 PolarHBondContact O-N 3.46Å; D693-R696 PolarHBondContact O-N 3.37Å; D693-K702 WeakPolarHBondContact OD1-CE 3.45Å; D693-K702 IonicContact OD1-NZ 2.64Å; D693-K702 PolarHBondContact OD1-NZ 3.37Å; D693-K702 IonicContact OD2-NZ 3.81Å; D693-K702 PolarHBondContact OD2-NZ 3.49Å
694	L	82.4	Confident	87.4	Confident	107 Å²	107	47.1 Å²	47.1	56%	0.56	23%	0.23	S	C	*	.	H	α-helix	trans	-56.7	-34.6	172	-71.5	169.4	0	0	0	111.7	L690 H692	L690-L694 VanDerWaalsContact O-CD1 3.25Å; L690-L694 WeakPolarHBondContact O-CD1 3.46Å; L690-L694 WeakPolarHBondContact O-CG 3.32Å; H692-L694 VanDerWaalsContact C-N 3.34Å
695	C	82.1	Confident	87.6	Confident	40 Å²	40	47.1 Å²	47.1	27%	0.27	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	3.6	177.6	-63.3	0	0	0	0	113.8	H692 D693 A697 L768 Q772	H692-C695 CarbonylContact O-C 3.4Å; H692-C695 PolarHBondContact O-N 3.16Å; D693-C695 PolarHBondContact O-N 3.46Å; C695-A697 PolarHBondContact O-N 2.95Å; C695-L768 HydrophobicContact CB-CD2 4.06Å; C695-Q772 PolarHBondContact SG-NE2 3.43Å
696	R	82	Confident	87.9	Confident	232 Å²	232	45.8 Å²	45.8	88%	0.875	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	35.7	-172.5	-56.3	179.9	176.2	178.6	-1	112.6	H692 D693	H692-R696 PolarHBondContact O-N 2.93Å; D693-R696 PolarHBondContact O-N 3.37Å
697	A	83	Confident	88.5	Confident	20 Å²	20	42.6 Å²	42.6	17%	0.165	21%	0.211	C	C	.	.			trans	-65.2	147.9	-177.5	0	0	0	0	0	110.7	H692 C695 V701 L768	H692-A697 HydrophobicContact CB-CB 3.91Å; H692-A697 WeakPolarHBondContact O-CB 3.47Å; H692-A697 PolarHBondContact O-N 3.11Å; C695-A697 PolarHBondContact O-N 2.95Å; A697-V701 HydrophobicContact CB-CB 4.09Å; A697-V701 HydrophobicContact CB-CG1 4.15Å; A697-L768 HydrophobicContact CB-CD2 3.86Å
698	S	88.6	Confident	89	Confident	64 Å²	64	39.7 Å²	39.7	45%	0.448	20%	0.199	S	C	.	.			trans	-68.7	158.1	176.8	72.7	0	0	0	0	111.7	D700 V701 K702	S698-D700 PolarHBondContact O-N 2.62Å; S698-D700 VanDerWaalsContact O-N 3.15Å; S698-V701 WeakPolarHBondContact O-CB 3.31Å; S698-V701 PolarHBondContact O-N 3.31Å; S698-V701 WeakPolarHBondContact OG-CG2 3.02Å; S698-V701 PolarHBondContact OG-N 2.93Å; S698-K702 PolarHBondContact O-N 3.38Å; S698-K702 VanDerWaalsContact O-N 3.12Å
699	M	88.1	Confident	89.2	Confident	78 Å²	78	39.7 Å²	39.7	38%	0.384	20%	0.199	S	C	.	.	H	α-helix	trans	-58.7	-26.9	174.9	-66.2	-177.8	-74.9	0	0	113	H636 W638 L639 F703	H636-M699 HydrophobicContact CB-CB 4.47Å; H636-M699 HydrophobicContact CB-CE 3.71Å; H636-M699 HydrophobicContact CB-SD 3.76Å; H636-M699 VanDerWaalsContact CE1-C 3.49Å; H636-M699 PolarHBondContact CE1-O 3.13Å; H636-M699 VanDerWaalsContact CE1-O 3.23Å; H636-M699 WeakPolarHBondContact ND1-CB 3.15Å; W638-M699 HydrophobicContact CB-CB 4.02Å; W638-M699 HydrophobicContact CB-CG 4.42Å; W638-M699 HydrophobicContact CG-CB 4.38Å; L639-M699 HydrophobicContact CD1-SD 4.22Å; L639-M699 HydrophobicContact CD2-SD 3.94Å; L639-M699 HydrophobicContact CG-SD 3.84Å; M699-F703 WeakPolarHBondContact O-CB 3.3Å; M699-F703 PolarHBondContact O-N 3.19Å
700	D	88.9	Confident	89.5	Confident	52 Å²	52	38.8 Å²	38.8	28%	0.278	20%	0.195	S	C	.	.	H	α-helix	trans	-64.6	-43	174.4	-103.4	-71.9	0	0	0	111.9	K618 H636 S698 F703 R704	K618-D700 WeakPolarHBondContact CE-OD1 3.43Å; K618-D700 IonicContact NZ-OD1 3.26Å; K618-D700 PolarHBondContact NZ-OD1 3.08Å; K618-D700 IonicContact NZ-OD2 3.1Å; K618-D700 PolarHBondContact NZ-OD2 3.17Å; H636-D700 IonicContact NE2-OD1 3.87Å; H636-D700 IonicContact NE2-OD2 3.93Å; S698-D700 PolarHBondContact O-N 2.62Å; S698-D700 VanDerWaalsContact O-N 3.15Å; D700-F703 PolarHBondContact O-N 2.99Å; D700-R704 PolarHBondContact O-N 3.12Å; D700-R704 PolarHBondContact O-NH1 3.36Å; D700-R704 IonicContact OD1-NH1 2.63Å; D700-R704 PolarHBondContact OD1-NH1 3.19Å
701	V	89.5	Confident	90	Very high	14 Å²	14	36.3 Å²	36.3	9%	0.085	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-49.5	176	-179.6	0	0	0	0	109.4	A697 S698 F703 R704 S705 E767 L768	A697-V701 HydrophobicContact CB-CB 4.09Å; A697-V701 HydrophobicContact CB-CG1 4.15Å; S698-V701 WeakPolarHBondContact O-CB 3.31Å; S698-V701 PolarHBondContact O-N 3.31Å; S698-V701 WeakPolarHBondContact OG-CG2 3.02Å; S698-V701 PolarHBondContact OG-N 2.93Å; V701-F703 VanDerWaalsContact C-N 3.28Å; V701-F703 PolarHBondContact O-N 3.25Å; V701-R704 PolarHBondContact O-N 3.39Å; V701-R704 VanDerWaalsContact O-N 3.14Å; V701-S705 PolarHBondContact O-N 2.83Å; V701-S705 PolarHBondContact O-OG 2.75Å; V701-E767 HydrophobicContact CG1-CB 3.76Å; V701-E767 HydrophobicContact CG2-CB 4.38Å; V701-L768 HydrophobicContact CG1-CD2 4.28Å
702	K	93.6	Very high	90.3	Very high	12 Å²	12	36.2 Å²	36.2	5%	0.052	18%	0.181	C	C	.	.	H	α-helix	trans	-53.5	-45.3	176.5	-66.8	-170.6	175.8	-169.7	0	112.4	W638 I688 N689 H692 D693 S698 S705 F706	W638-K702 HydrophobicContact CD2-CB 3.75Å; W638-K702 HydrophobicContact CD2-CD 4.27Å; W638-K702 HydrophobicContact CE3-CB 3.99Å; W638-K702 HydrophobicContact CG-CB 4.31Å; W638-K702 HydrophobicContact CH2-CB 4.21Å; W638-K702 HydrophobicContact CZ2-CB 3.98Å; W638-K702 HydrophobicContact CZ2-CD 3.9Å; W638-K702 HydrophobicContact CZ2-CG 4.48Å; W638-K702 HydrophobicContact CZ3-CB 4.23Å; I688-K702 HydrophobicContact CG2-CB 3.69Å; I688-K702 HydrophobicContact CG2-CD 4.23Å; I688-K702 HydrophobicContact CG2-CG 3.79Å; N689-K702 PolarHBondContact OD1-NZ 2.88Å; H692-K702 HydrophobicContact CB-CD 4.39Å; H692-K702 HydrophobicContact CB-CG 3.76Å; D693-K702 WeakPolarHBondContact OD1-CE 3.45Å; D693-K702 IonicContact OD1-NZ 2.64Å; D693-K702 PolarHBondContact OD1-NZ 3.37Å; D693-K702 IonicContact OD2-NZ 3.81Å; D693-K702 PolarHBondContact OD2-NZ 3.49Å; S698-K702 PolarHBondContact O-N 3.38Å; S698-K702 VanDerWaalsContact O-N 3.12Å; K702-S705 PolarHBondContact O-N 3.03Å; K702-F706 WeakPolarHBondContact O-CB 3.47Å; K702-F706 PolarHBondContact O-N 3.44Å
703	F	95.5	Very high	90.3	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	18%	0.181	C	C	.	.	H	α-helix	trans	-63.1	-46.1	178.4	-178.6	-90.8	0	0	0	112.1	V617 K618 F621 P637 W638 I641 M699 D700 V701 S705 F706 I707	V617-F703 HydrophobicContact CG1-CZ 4.15Å; K618-F703 HydrophobicContact CB-CD1 4.25Å; K618-F703 HydrophobicContact CB-CE1 3.6Å; K618-F703 HydrophobicContact CB-CZ 4.05Å; K618-F703 HydrophobicContact CG-CD1 4.41Å; K618-F703 HydrophobicContact CG-CE1 4.12Å; K618-F703 HydrophobicContact CG-CZ 4.44Å; F621-F703 HydrophobicContact CD2-CE2 4.04Å; F621-F703 AromaticContact CD2-CZ 3.89Å; F621-F703 HydrophobicContact CD2-CZ 3.89Å; F621-F703 HydrophobicContact CE2-CE2 4.38Å; F621-F703 HydrophobicContact CE2-CZ 4.32Å; F621-F703 HydrophobicContact CG-CE2 4.49Å; P637-F703 HydrophobicContact CB-CD2 4.07Å; P637-F703 HydrophobicContact CB-CE2 3.85Å; W638-F703 HydrophobicContact CE3-CB 4.48Å; I641-F703 HydrophobicContact CD1-CD2 3.78Å; I641-F703 HydrophobicContact CD1-CE2 3.78Å; M699-F703 WeakPolarHBondContact O-CB 3.3Å; M699-F703 PolarHBondContact O-N 3.19Å; D700-F703 PolarHBondContact O-N 2.99Å; V701-F703 VanDerWaalsContact C-N 3.28Å; V701-F703 PolarHBondContact O-N 3.25Å; F703-S705 PolarHBondContact O-N 3.33Å; F703-F706 WeakPolarHBondContact O-CB 3.14Å; F703-F706 PolarHBondContact O-N 2.88Å; F703-I707 HydrophobicContact CD1-CG1 4.2Å; F703-I707 HydrophobicContact CE1-CD1 4.29Å; F703-I707 HydrophobicContact CE1-CG1 3.82Å; F703-I707 HydrophobicContact CZ-CD1 4.1Å; F703-I707 HydrophobicContact CZ-CG1 4.13Å; F703-I707 WeakPolarHBondContact O-CG1 3.41Å; F703-I707 PolarHBondContact O-N 2.87Å
704	R	95.3	Very high	90.8	Very high	45 Å²	45	33.2 Å²	33.2	17%	0.17	16%	0.164	C	C	.	.	H	α-helix	trans	-61.8	-44.6	177.4	-74.8	-171.7	-70.9	-78.2	0.5	111.8	R610 C614 D700 V701 F706 I707 C708 E767	R610-R704 WeakPolarHBondContact O-CD 3.37Å; C614-R704 HydrophobicContact CB-CB 4.48Å; C614-R704 HydrophobicContact CB-CG 3.68Å; D700-R704 PolarHBondContact O-N 3.12Å; D700-R704 PolarHBondContact O-NH1 3.36Å; D700-R704 IonicContact OD1-NH1 2.63Å; D700-R704 PolarHBondContact OD1-NH1 3.19Å; V701-R704 PolarHBondContact O-N 3.39Å; V701-R704 VanDerWaalsContact O-N 3.14Å; R704-F706 VanDerWaalsContact C-N 3.28Å; R704-F706 PolarHBondContact O-N 3.46Å; R704-I707 PolarHBondContact O-N 3.31Å; R704-I707 VanDerWaalsContact O-N 3.16Å; R704-C708 PolarHBondContact O-N 3.45Å; R704-C708 PolarHBondContact O-SG 3.07Å; R704-E767 WeakPolarHBondContact CD-OE1 3.24Å; R704-E767 IonicContact CZ-OE1 2.72Å; R704-E767 IonicContact CZ-OE2 3.7Å; R704-E767 IonicContact NE-OE1 3.18Å; R704-E767 PolarHBondContact NE-OE1 3.16Å; R704-E767 IonicContact NE-OE2 2.72Å; R704-E767 PolarHBondContact NE-OE2 2.9Å; R704-E767 IonicContact NH2-OE1 3.59Å; R704-E767 IonicContact NH2-OE2 3.73Å; R704-E767 PolarHBondContact NH2-OE2 3.17Å
705	S	94.3	Very high	91.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.9	-37.8	177.7	-53.7	0	0	0	0	112.1	H692 V701 K702 F703 C708 L709 S764	H692-S705 VanDerWaalsContact NE2-CB 3.28Å; H692-S705 WeakPolarHBondContact NE2-CB 3.46Å; H692-S705 PolarHBondContact NE2-OG 2.73Å; V701-S705 PolarHBondContact O-N 2.83Å; V701-S705 PolarHBondContact O-OG 2.75Å; K702-S705 PolarHBondContact O-N 3.03Å; F703-S705 PolarHBondContact O-N 3.33Å; S705-C708 PolarHBondContact O-N 3.03Å; S705-L709 WeakPolarHBondContact O-CG 3.43Å; S705-L709 PolarHBondContact O-N 2.82Å; S705-S764 VanDerWaalsContact CB-O 3.31Å; S705-S764 WeakPolarHBondContact CB-O 3.42Å; S705-S764 PolarHBondContact OG-O 3.14Å
706	F	96.3	Very high	92.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-46.3	172.6	175	-98.1	0	0	0	112.4	W638 I641 L681 A684 I688 K702 F703 R704 C708 L709 G710 W719	W638-F706 HydrophobicContact CH2-CB 4.43Å; W638-F706 HydrophobicContact CZ3-CB 3.67Å; W638-F706 HydrophobicContact CZ3-CD2 4.26Å; W638-F706 HydrophobicContact CZ3-CG 4.02Å; I641-F706 HydrophobicContact CD1-CD1 4.03Å; I641-F706 HydrophobicContact CD1-CE1 3.97Å; I641-F706 HydrophobicContact CG2-CE1 4.4Å; I641-F706 HydrophobicContact CG2-CE2 4.18Å; I641-F706 HydrophobicContact CG2-CZ 4.09Å; L681-F706 HydrophobicContact CD1-CE2 3.61Å; L681-F706 HydrophobicContact CD1-CZ 3.43Å; L681-F706 VanDerWaalsContact CD1-CZ 3.43Å; A684-F706 HydrophobicContact CB-CD2 4.45Å; I688-F706 HydrophobicContact CD1-CB 3.53Å; I688-F706 HydrophobicContact CD1-CD2 4.27Å; I688-F706 HydrophobicContact CD1-CG 4.43Å; I688-F706 VanDerWaalsContact CD1-N 3.3Å; K702-F706 WeakPolarHBondContact O-CB 3.47Å; K702-F706 PolarHBondContact O-N 3.44Å; F703-F706 WeakPolarHBondContact O-CB 3.14Å; F703-F706 PolarHBondContact O-N 2.88Å; R704-F706 VanDerWaalsContact C-N 3.28Å; R704-F706 PolarHBondContact O-N 3.46Å; F706-C708 VanDerWaalsContact C-N 3.32Å; F706-C708 PolarHBondContact O-N 2.96Å; F706-L709 PolarHBondContact O-N 3.44Å; F706-G710 PolarHBondContact O-N 2.63Å; F706-W719 HydrophobicContact CD2-CE3 4.3Å; F706-W719 AromaticContact CD2-CZ3 3.89Å; F706-W719 HydrophobicContact CD2-CZ3 3.89Å; F706-W719 AromaticContact CE1-CE3 3.86Å; F706-W719 HydrophobicContact CE1-CE3 3.86Å; F706-W719 HydrophobicContact CE1-CZ3 4.31Å; F706-W719 HydrophobicContact CE2-CD2 4.31Å; F706-W719 AromaticContact CE2-CE3 3.58Å; F706-W719 HydrophobicContact CE2-CE3 3.58Å; F706-W719 HydrophobicContact CE2-CH2 4.28Å; F706-W719 AromaticContact CE2-CZ3 3.54Å; F706-W719 HydrophobicContact CE2-CZ3 3.54Å; F706-W719 HydrophobicContact CG-CZ3 4.4Å; F706-W719 HydrophobicContact CZ-CD2 4.02Å; F706-W719 AromaticContact CZ-CE3 3.31Å; F706-W719 HydrophobicContact CZ-CE3 3.31Å; F706-W719 AromaticContact CZ-CZ3 3.77Å; F706-W719 HydrophobicContact CZ-CZ3 3.77Å; F706-W719 WeakPolarHBondContact O-CZ3 3.47Å
707	I	97.2	Very high	92.8	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-60.9	-43	175.5	-61.9	-57.7	0	0	0	111	F613 C614 V617 F703 R704 G710 L711 L716	F613-I707 HydrophobicContact CD1-CG2 3.88Å; F613-I707 HydrophobicContact CE1-CG2 3.48Å; F613-I707 VanDerWaalsContact CE1-CG2 3.48Å; C614-I707 VanDerWaalsContact SG-CG2 3.55Å; V617-I707 HydrophobicContact CG1-CD1 3.82Å; F703-I707 HydrophobicContact CD1-CG1 4.2Å; F703-I707 HydrophobicContact CE1-CD1 4.29Å; F703-I707 HydrophobicContact CE1-CG1 3.82Å; F703-I707 HydrophobicContact CZ-CD1 4.1Å; F703-I707 HydrophobicContact CZ-CG1 4.13Å; F703-I707 WeakPolarHBondContact O-CG1 3.41Å; F703-I707 PolarHBondContact O-N 2.87Å; R704-I707 PolarHBondContact O-N 3.31Å; R704-I707 VanDerWaalsContact O-N 3.16Å; I707-G710 PolarHBondContact O-N 2.76Å; I707-L711 HydrophobicContact CG2-CD1 4.45Å; I707-L711 WeakPolarHBondContact O-CG 3.27Å; I707-L711 PolarHBondContact O-N 3.39Å; I707-L716 HydrophobicContact CD1-CD1 3.68Å; I707-L716 HydrophobicContact CG2-CD2 3.91Å
708	C	94.9	Very high	93.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60	-46	177	-66	0	0	0	0	112.4	R704 S705 F706 G710 L711 N712 L762	R704-C708 PolarHBondContact O-N 3.45Å; R704-C708 PolarHBondContact O-SG 3.07Å; S705-C708 PolarHBondContact O-N 3.03Å; F706-C708 VanDerWaalsContact C-N 3.32Å; F706-C708 PolarHBondContact O-N 2.96Å; C708-G710 VanDerWaalsContact C-N 3.32Å; C708-G710 PolarHBondContact O-N 3.33Å; C708-L711 WeakPolarHBondContact O-CB 3.42Å; C708-L711 PolarHBondContact O-N 3.34Å; C708-L711 VanDerWaalsContact O-N 3.16Å; C708-N712 PolarHBondContact O-N 3.31Å; C708-N712 PolarHBondContact O-OD1 2.7Å; C708-L762 HydrophobicContact CB-CB 3.86Å; C708-L762 HydrophobicContact CB-CD1 3.98Å
709	L	93	Very high	93.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.3	-42.1	176.1	-69.1	178.3	0	0	0	111.8	L590 D592 A684 Y687 I688 S705 F706 L711 N712 E713 W719	L590-L709 HydrophobicContact CD2-CD1 4.49Å; L590-L709 WeakPolarHBondContact O-CD2 3.35Å; D592-L709 HydrophobicContact CB-CD2 4.32Å; A684-L709 HydrophobicContact CB-CD1 4.03Å; Y687-L709 HydrophobicContact CD1-CD1 4.2Å; I688-L709 HydrophobicContact CD1-CD1 3.77Å; I688-L709 HydrophobicContact CG1-CD1 3.94Å; S705-L709 WeakPolarHBondContact O-CG 3.43Å; S705-L709 PolarHBondContact O-N 2.82Å; F706-L709 PolarHBondContact O-N 3.44Å; L709-L711 VanDerWaalsContact C-N 3.27Å; L709-L711 PolarHBondContact O-N 2.93Å; L709-N712 PolarHBondContact O-N 2.99Å; L709-E713 WeakPolarHBondContact O-CB 3.13Å; L709-E713 WeakPolarHBondContact O-CG 3.48Å; L709-E713 PolarHBondContact O-N 3.35Å; L709-W719 HydrophobicContact CB-CH2 4.19Å; L709-W719 HydrophobicContact CB-CZ3 4.48Å
710	G	94.9	Very high	94.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-65.3	-28.7	177.5	0	0	0	0	0	113.7	F706 I707 C708 Q714 V715 L716 W719	F706-G710 PolarHBondContact O-N 2.63Å; I707-G710 PolarHBondContact O-N 2.76Å; C708-G710 VanDerWaalsContact C-N 3.32Å; C708-G710 PolarHBondContact O-N 3.33Å; G710-Q714 PolarHBondContact O-N 3.48Å; G710-V715 PolarHBondContact O-N 3.35Å; G710-L716 PolarHBondContact O-N 3.5Å; G710-W719 VanDerWaalsContact N-CZ3 3.33Å
711	L	94.7	Very high	94.5	Very high	5 Å²	5	8.8 Å²	8.8	3%	0.026	4%	0.041	C	C	.	.	H	α-helix	trans	-74.7	-45.4	172.6	-71.1	175.7	0	0	0	111.6	V609 F613 I707 C708 L709 E713 Q714 L716 L755 F760 L762	V609-L711 HydrophobicContact CG1-CD1 3.71Å; V609-L711 HydrophobicContact CG2-CD1 4.42Å; F613-L711 HydrophobicContact CD1-CD1 4.12Å; F613-L711 HydrophobicContact CE1-CD1 3.83Å; F613-L711 HydrophobicContact CE1-CD2 4.13Å; F613-L711 HydrophobicContact CE1-CG 4.27Å; F613-L711 HydrophobicContact CZ-CD2 4.35Å; I707-L711 HydrophobicContact CG2-CD1 4.45Å; I707-L711 WeakPolarHBondContact O-CG 3.27Å; I707-L711 PolarHBondContact O-N 3.39Å; C708-L711 WeakPolarHBondContact O-CB 3.42Å; C708-L711 PolarHBondContact O-N 3.34Å; C708-L711 VanDerWaalsContact O-N 3.16Å; L709-L711 VanDerWaalsContact C-N 3.27Å; L709-L711 PolarHBondContact O-N 2.93Å; L711-E713 PolarHBondContact O-N 2.92Å; L711-Q714 PolarHBondContact O-N 3.38Å; L711-L716 HydrophobicContact CD2-CD2 3.82Å; L711-L716 HydrophobicContact CG-CD2 4.09Å; L711-L755 HydrophobicContact CD2-CB 3.99Å; L711-L755 HydrophobicContact CD2-CD1 3.73Å; L711-F760 HydrophobicContact CB-CB 4.26Å; L711-F760 HydrophobicContact CB-CD1 4.48Å; L711-F760 HydrophobicContact CB-CD2 3.83Å; L711-F760 HydrophobicContact CB-CE2 4.28Å; L711-F760 HydrophobicContact CB-CG 3.94Å; L711-F760 HydrophobicContact CD2-CE2 4.12Å; L711-F760 HydrophobicContact CD2-CZ 4.38Å; L711-F760 WeakPolarHBondContact O-CD2 3.47Å; L711-L762 HydrophobicContact CB-CD1 4.09Å; L711-L762 HydrophobicContact CD1-CD1 3.83Å
712	N	90.1	Very high	94.7	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-57.9	-39.8	177.3	-66.7	-7.6	0	0	0	112	R591 Y593 C708 L709 Q714 F760 L762	R591-N712 HydrophobicContact CB-CB 4Å; R591-N712 VanDerWaalsContact CD-O 3.24Å; R591-N712 WeakPolarHBondContact CD-O 3.38Å; R591-N712 PolarHBondContact NH1-O 3.47Å; R591-N712 VanDerWaalsContact NH1-O 3.15Å; R591-N712 PolarHBondContact O-ND2 3.45Å; Y593-N712 WeakPolarHBondContact CD2-ND2 3.22Å; Y593-N712 HydrophobicContact CE2-CB 4.22Å; C708-N712 PolarHBondContact O-N 3.31Å; C708-N712 PolarHBondContact O-OD1 2.7Å; L709-N712 PolarHBondContact O-N 2.99Å; N712-Q714 VanDerWaalsContact C-N 3.31Å; N712-F760 VanDerWaalsContact OD1-CB 3.31Å; N712-F760 WeakPolarHBondContact OD1-CB 3.28Å; N712-F760 PolarHBondContact OD1-O 3.31Å; N712-L762 PolarHBondContact ND2-O 3.35Å; N712-L762 WeakPolarHBondContact OD1-CB 3.42Å; N712-L762 PolarHBondContact OD1-N 3.16Å
713	E	89.2	Confident	94.7	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	3.2	177.2	-66.3	-65.3	167.8	0	0	113.3	H527 L590 R591 L709 L711 V715	H527-E713 PolarHBondContact CE1-O 3.3Å; H527-E713 IonicContact NE2-OE2 2.79Å; H527-E713 PolarHBondContact NE2-OE2 2.88Å; L590-E713 WeakPolarHBondContact CA-OE1 3.18Å; L590-E713 PolarHBondContact N-OE1 3.15Å; R591-E713 WeakPolarHBondContact CB-OE1 3.29Å; R591-E713 VanDerWaalsContact CG-OE1 3.28Å; R591-E713 WeakPolarHBondContact CG-OE1 3.5Å; R591-E713 PolarHBondContact N-OE1 3.28Å; R591-E713 IonicContact NE-OE2 2.75Å; R591-E713 PolarHBondContact NE-OE2 3.26Å; L709-E713 WeakPolarHBondContact O-CB 3.13Å; L709-E713 WeakPolarHBondContact O-CG 3.48Å; L709-E713 PolarHBondContact O-N 3.35Å; L711-E713 PolarHBondContact O-N 2.92Å; E713-V715 HydrophobicContact CB-CB 4.37Å; E713-V715 HydrophobicContact CB-CG1 3.38Å; E713-V715 WeakPolarHBondContact O-CB 3.49Å; E713-V715 PolarHBondContact O-N 3.41Å
714	Q	92.6	Very high	94.6	Very high	21 Å²	21	10 Å²	10	10%	0.098	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	26.5	177.9	-60.6	165.2	-78.2	0	0	114.2	G710 L711 N712 H717 A756	G710-Q714 PolarHBondContact O-N 3.48Å; L711-Q714 PolarHBondContact O-N 3.38Å; N712-Q714 VanDerWaalsContact C-N 3.31Å; Q714-H717 PolarHBondContact O-CE1 3.17Å; Q714-H717 VanDerWaalsContact O-CE1 3.23Å; Q714-A756 HydrophobicContact CB-CB 4.39Å; Q714-A756 PolarHBondContact NE2-O 2.85Å
715	V	94.5	Very high	94.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.064	C	C	.	.			trans	-119.2	-3.1	-166.7	60.1	0	0	0	0	112.4	Y523 P677 L680 G710 E713 H717 L718 W719	Y523-V715 HydrophobicContact CD2-CB 4.44Å; Y523-V715 HydrophobicContact CE2-CB 4.29Å; Y523-V715 HydrophobicContact CE2-CG2 4.38Å; P677-V715 HydrophobicContact CB-CG2 3.78Å; P677-V715 HydrophobicContact CG-CG2 4.21Å; L680-V715 HydrophobicContact CD1-CG1 4.41Å; G710-V715 PolarHBondContact O-N 3.35Å; E713-V715 HydrophobicContact CB-CB 4.37Å; E713-V715 HydrophobicContact CB-CG1 3.38Å; E713-V715 WeakPolarHBondContact O-CB 3.49Å; E713-V715 PolarHBondContact O-N 3.41Å; V715-H717 PolarHBondContact O-N 2.95Å; V715-L718 HydrophobicContact CG2-CB 3.98Å; V715-L718 HydrophobicContact CG2-CD1 4.24Å; V715-L718 WeakPolarHBondContact O-CA 3.18Å; V715-L718 WeakPolarHBondContact O-CB 3.35Å; V715-L718 PolarHBondContact O-N 2.85Å; V715-W719 HydrophobicContact CG1-CD2 4.17Å; V715-W719 HydrophobicContact CG1-CH2 4.48Å; V715-W719 HydrophobicContact CG1-CZ2 3.87Å; V715-W719 HydrophobicContact CG2-CG 4.32Å; V715-W719 PolarHBondContact O-N 3.1Å
716	L	97.3	Very high	94.2	Very high	11 Å²	11	11.5 Å²	11.5	6%	0.058	7%	0.066	C	C	.	.	H	α-helix	trans	-52.8	-37	-175.4	-178.1	60.9	0	0	0	114.3	F613 I707 G710 L711 W719 F720 L752	F613-L716 HydrophobicContact CE1-CD2 3.74Å; F613-L716 HydrophobicContact CZ-CD2 3.72Å; I707-L716 HydrophobicContact CD1-CD1 3.68Å; I707-L716 HydrophobicContact CG2-CD2 3.91Å; G710-L716 PolarHBondContact O-N 3.5Å; L711-L716 HydrophobicContact CD2-CD2 3.82Å; L711-L716 HydrophobicContact CG-CD2 4.09Å; L716-W719 PolarHBondContact O-N 3.08Å; L716-F720 WeakPolarHBondContact O-CB 3.46Å; L716-F720 PolarHBondContact O-N 3.11Å; L716-L752 HydrophobicContact CD2-CD2 4.08Å
717	H	96.9	Very high	93.6	Very high	9 Å²	9	13 Å²	13	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-68.2	-35.7	177.3	64.7	-71.4	0	0	0	112.7	Q714 V715 F720 E721 K749 L752 R753	Q714-H717 PolarHBondContact O-CE1 3.17Å; Q714-H717 VanDerWaalsContact O-CE1 3.23Å; V715-H717 PolarHBondContact O-N 2.95Å; H717-F720 PolarHBondContact O-N 2.94Å; H717-E721 PolarHBondContact O-N 3.22Å; H717-E721 VanDerWaalsContact O-N 3.16Å; H717-K749 HydrophobicContact CB-CG 4.25Å; H717-L752 HydrophobicContact CB-CB 3.87Å; H717-R753 HydrophobicContact CB-CB 4.1Å
718	L	96.3	Very high	93.2	Very high	10 Å²	10	15 Å²	15	5%	0.052	10%	0.095	C	C	.	.	H	α-helix	trans	-72.5	-40.1	172.9	-63.7	173.8	0	0	0	111.2	D519 Y523 P677 V715 F720 E721 L722	D519-L718 HydrophobicContact CB-CD2 3.86Å; Y523-L718 HydrophobicContact CD2-CD1 4.31Å; Y523-L718 HydrophobicContact CG-CD1 4.01Å; P677-L718 HydrophobicContact CB-CB 4.09Å; P677-L718 HydrophobicContact CB-CD1 4.41Å; P677-L718 HydrophobicContact CG-CB 4.29Å; P677-L718 HydrophobicContact CG-CD1 3.73Å; V715-L718 HydrophobicContact CG2-CB 3.98Å; V715-L718 HydrophobicContact CG2-CD1 4.24Å; V715-L718 WeakPolarHBondContact O-CA 3.18Å; V715-L718 WeakPolarHBondContact O-CB 3.35Å; V715-L718 PolarHBondContact O-N 2.85Å; L718-F720 VanDerWaalsContact C-N 3.28Å; L718-F720 PolarHBondContact O-N 2.94Å; L718-E721 WeakPolarHBondContact O-CB 3.24Å; L718-E721 PolarHBondContact O-N 2.85Å; L718-L722 WeakPolarHBondContact O-CG 2.97Å; L718-L722 PolarHBondContact O-N 2.81Å
719	W	96.5	Very high	92.9	Very high	1 Å²	1	15 Å²	15	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-60.1	-40.6	171.6	-74.3	-2.9	0	0	0	111.9	P677 L680 L681 A684 F706 L709 G710 V715 L716 E721 L722 L723	P677-W719 PolarHBondContact O-NE1 2.98Å; L680-W719 HydrophobicContact CB-CZ2 4.06Å; L681-W719 HydrophobicContact CB-CG 4.46Å; L681-W719 HydrophobicContact CD1-CB 4.13Å; L681-W719 HydrophobicContact CD1-CD2 3.9Å; L681-W719 HydrophobicContact CD1-CE3 4.39Å; L681-W719 HydrophobicContact CD1-CG 3.77Å; A684-W719 HydrophobicContact CB-CH2 3.46Å; A684-W719 VanDerWaalsContact CB-CH2 3.46Å; A684-W719 HydrophobicContact CB-CZ2 3.93Å; A684-W719 HydrophobicContact CB-CZ3 4.26Å; F706-W719 HydrophobicContact CD2-CE3 4.3Å; F706-W719 AromaticContact CD2-CZ3 3.89Å; F706-W719 HydrophobicContact CD2-CZ3 3.89Å; F706-W719 AromaticContact CE1-CE3 3.86Å; F706-W719 HydrophobicContact CE1-CE3 3.86Å; F706-W719 HydrophobicContact CE1-CZ3 4.31Å; F706-W719 HydrophobicContact CE2-CD2 4.31Å; F706-W719 AromaticContact CE2-CE3 3.58Å; F706-W719 HydrophobicContact CE2-CE3 3.58Å; F706-W719 HydrophobicContact CE2-CH2 4.28Å; F706-W719 AromaticContact CE2-CZ3 3.54Å; F706-W719 HydrophobicContact CE2-CZ3 3.54Å; F706-W719 HydrophobicContact CG-CZ3 4.4Å; F706-W719 HydrophobicContact CZ-CD2 4.02Å; F706-W719 AromaticContact CZ-CE3 3.31Å; F706-W719 HydrophobicContact CZ-CE3 3.31Å; F706-W719 AromaticContact CZ-CZ3 3.77Å; F706-W719 HydrophobicContact CZ-CZ3 3.77Å; F706-W719 WeakPolarHBondContact O-CZ3 3.47Å; L709-W719 HydrophobicContact CB-CH2 4.19Å; L709-W719 HydrophobicContact CB-CZ3 4.48Å; G710-W719 VanDerWaalsContact N-CZ3 3.33Å; V715-W719 HydrophobicContact CG1-CD2 4.17Å; V715-W719 HydrophobicContact CG1-CH2 4.48Å; V715-W719 HydrophobicContact CG1-CZ2 3.87Å; V715-W719 HydrophobicContact CG2-CG 4.32Å; V715-W719 PolarHBondContact O-N 3.1Å; L716-W719 PolarHBondContact O-N 3.08Å; W719-E721 VanDerWaalsContact C-N 3.34Å; W719-E721 PolarHBondContact O-N 2.98Å; W719-L722 PolarHBondContact O-N 2.95Å; W719-L723 WeakPolarHBondContact O-CB 3.24Å; W719-L723 WeakPolarHBondContact O-CG 3.42Å; W719-L723 PolarHBondContact O-N 3.23Å
720	F	96.7	Very high	92.9	Very high	3 Å²	3	15.1 Å²	15.1	1%	0.013	10%	0.096	C	C	.	.	H	α-helix	trans	-62.1	-41.7	176.3	-172.6	-102.1	0	0	0	112.1	I620 F621 L716 H717 L718 L723 C724 I740 W745 V748 K749 L752	I620-F720 HydrophobicContact CG2-CE2 4.34Å; I620-F720 HydrophobicContact CG2-CZ 4.22Å; F621-F720 HydrophobicContact CE1-CD2 4.46Å; F621-F720 HydrophobicContact CE1-CE2 4.33Å; F621-F720 AromaticContact CE2-CD2 3.9Å; F621-F720 HydrophobicContact CE2-CD2 3.9Å; F621-F720 AromaticContact CE2-CE2 3.93Å; F621-F720 HydrophobicContact CE2-CE2 3.93Å; F621-F720 AromaticContact CZ-CD2 3.61Å; F621-F720 HydrophobicContact CZ-CD2 3.61Å; F621-F720 AromaticContact CZ-CE2 3.77Å; F621-F720 HydrophobicContact CZ-CE2 3.77Å; L716-F720 WeakPolarHBondContact O-CB 3.46Å; L716-F720 PolarHBondContact O-N 3.11Å; H717-F720 PolarHBondContact O-N 2.94Å; L718-F720 VanDerWaalsContact C-N 3.28Å; L718-F720 PolarHBondContact O-N 2.94Å; F720-L723 PolarHBondContact O-N 3.12Å; F720-C724 PolarHBondContact O-N 3.35Å; F720-C724 PolarHBondContact O-SG 3.13Å; F720-I740 HydrophobicContact CE2-CD1 3.79Å; F720-I740 HydrophobicContact CZ-CD1 3.85Å; F720-W745 HydrophobicContact CE1-CB 3.73Å; F720-W745 WeakPolarHBondContact CE1-O 2.82Å; F720-W745 HydrophobicContact CZ-CB 4.24Å; F720-V748 HydrophobicContact CD1-CB 4.35Å; F720-V748 HydrophobicContact CD1-CG1 3.96Å; F720-V748 HydrophobicContact CD2-CG1 4.42Å; F720-V748 HydrophobicContact CE1-CB 3.55Å; F720-V748 HydrophobicContact CE1-CG1 3.39Å; F720-V748 HydrophobicContact CE2-CG1 3.94Å; F720-V748 HydrophobicContact CG-CG1 4.44Å; F720-V748 HydrophobicContact CZ-CB 3.82Å; F720-V748 HydrophobicContact CZ-CG1 3.39Å; F720-V748 HydrophobicContact CZ-CG2 4.44Å; F720-K749 HydrophobicContact CD1-CB 4.4Å; F720-L752 HydrophobicContact CB-CD1 3.79Å; F720-L752 HydrophobicContact CD1-CD1 4.26Å; F720-L752 HydrophobicContact CD2-CD1 4.19Å; F720-L752 HydrophobicContact CG-CD1 3.81Å
721	E	94.9	Very high	92.7	Very high	46 Å²	46	22 Å²	22	22%	0.215	12%	0.122	C	C	.	.	H	α-helix	trans	-61.5	-47.9	173.1	175.3	174.6	-165.5	0	0	112.8	H516 H717 L718 W719 L723 C724 S725 W745 K749	H516-E721 IonicContact CE1-OE1 2.86Å; H516-E721 IonicContact NE2-OE1 3.56Å; H717-E721 PolarHBondContact O-N 3.22Å; H717-E721 VanDerWaalsContact O-N 3.16Å; L718-E721 WeakPolarHBondContact O-CB 3.24Å; L718-E721 PolarHBondContact O-N 2.85Å; W719-E721 VanDerWaalsContact C-N 3.34Å; W719-E721 PolarHBondContact O-N 2.98Å; E721-L723 VanDerWaalsContact C-N 3.3Å; E721-L723 PolarHBondContact O-N 3.04Å; E721-C724 PolarHBondContact O-N 2.68Å; E721-C724 VanDerWaalsContact O-N 3.15Å; E721-S725 VanDerWaalsContact O-CB 3.25Å; E721-S725 WeakPolarHBondContact O-CB 3.27Å; E721-S725 PolarHBondContact O-N 2.95Å; E721-S725 PolarHBondContact O-OG 3.03Å; E721-W745 HydrophobicContact CB-CH2 4.47Å; E721-W745 HydrophobicContact CB-CZ3 3.97Å; E721-W745 HydrophobicContact CG-CH2 3.86Å; E721-W745 HydrophobicContact CG-CZ3 3.87Å; E721-K749 HydrophobicContact CB-CD 4.2Å; E721-K749 IonicContact OE1-NZ 2.93Å; E721-K749 VanDerWaalsContact OE2-CE 3.29Å; E721-K749 WeakPolarHBondContact OE2-CE 3.43Å; E721-K749 IonicContact OE2-NZ 3.25Å; E721-K749 PolarHBondContact OE2-NZ 3.38Å
722	L	93.1	Very high	92.5	Very high	41 Å²	41	29.2 Å²	29.2	22%	0.215	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-44.4	177.6	-71.9	174.2	0	0	0	111.4	P677 E678 L681 L718 W719 C724 S725 A726	P677-L722 HydrophobicContact CB-CD1 3.98Å; E678-L722 HydrophobicContact CB-CD1 4.41Å; E678-L722 HydrophobicContact CG-CD1 3.8Å; E678-L722 HydrophobicContact CG-CD2 3.77Å; E678-L722 HydrophobicContact CG-CG 4.45Å; E678-L722 WeakPolarHBondContact OE1-CD2 3.48Å; L681-L722 HydrophobicContact CD2-CB 4.43Å; L681-L722 HydrophobicContact CD2-CD1 4.37Å; L718-L722 WeakPolarHBondContact O-CG 2.97Å; L718-L722 PolarHBondContact O-N 2.81Å; W719-L722 PolarHBondContact O-N 2.95Å; L722-C724 PolarHBondContact O-N 3.42Å; L722-S725 PolarHBondContact O-N 3.13Å; L722-A726 PolarHBondContact O-N 2.89Å
723	L	94.9	Very high	92.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-43.4	176.2	-69.7	169	0	0	0	111.7	F621 F640 I641 V644 W719 F720 E721 S725 V730	F621-L723 HydrophobicContact CE1-CD1 3.95Å; F621-L723 HydrophobicContact CZ-CD1 3.71Å; F640-L723 HydrophobicContact CE1-CB 4.13Å; F640-L723 HydrophobicContact CE1-CD2 4.29Å; F640-L723 HydrophobicContact CZ-CB 4.43Å; F640-L723 WeakPolarHBondContact CZ-O 3.38Å; I641-L723 HydrophobicContact CB-CD2 4.36Å; I641-L723 HydrophobicContact CG1-CD1 4.06Å; I641-L723 HydrophobicContact CG1-CD2 4.07Å; I641-L723 HydrophobicContact CG2-CD2 4.37Å; V644-L723 HydrophobicContact CB-CD2 3.81Å; V644-L723 HydrophobicContact CG1-CD2 3.95Å; V644-L723 HydrophobicContact CG2-CD2 3.99Å; W719-L723 WeakPolarHBondContact O-CB 3.24Å; W719-L723 WeakPolarHBondContact O-CG 3.42Å; W719-L723 PolarHBondContact O-N 3.23Å; F720-L723 PolarHBondContact O-N 3.12Å; E721-L723 VanDerWaalsContact C-N 3.3Å; E721-L723 PolarHBondContact O-N 3.04Å; L723-S725 VanDerWaalsContact C-N 3.34Å; L723-V730 WeakPolarHBondContact O-CG2 3.38Å
724	C	93.8	Very high	92.8	Very high	11 Å²	11	31.5 Å²	31.5	7%	0.074	16%	0.157	C	C	.	.	H	α-helix	trans	-73	-26	178.6	-62.6	0	0	0	0	113.1	F720 E721 L722 I740 W745	F720-C724 PolarHBondContact O-N 3.35Å; F720-C724 PolarHBondContact O-SG 3.13Å; E721-C724 PolarHBondContact O-N 2.68Å; E721-C724 VanDerWaalsContact O-N 3.15Å; L722-C724 PolarHBondContact O-N 3.42Å; C724-I740 HydrophobicContact CB-CG2 4.49Å; C724-W745 HydrophobicContact CB-CB 4.15Å; C724-W745 HydrophobicContact CB-CD2 3.91Å; C724-W745 HydrophobicContact CB-CE3 4.39Å; C724-W745 HydrophobicContact CB-CG 3.77Å
725	S	90.9	Very high	92.6	Very high	72 Å²	72	34 Å²	34	50%	0.503	17%	0.169	S	C	.	.	H	α-helix	trans	-84.8	-9.9	-178.1	-59	0	0	0	0	113.7	E721 L722 L723 G727	E721-S725 VanDerWaalsContact O-CB 3.25Å; E721-S725 WeakPolarHBondContact O-CB 3.27Å; E721-S725 PolarHBondContact O-N 2.95Å; E721-S725 PolarHBondContact O-OG 3.03Å; L722-S725 PolarHBondContact O-N 3.13Å; L723-S725 VanDerWaalsContact C-N 3.34Å; S725-G727 PolarHBondContact O-N 2.81Å
726	A	89.3	Confident	92.3	Very high	5 Å²	5	39 Å²	39	4%	0.041	20%	0.195	C	C	.	.			trans	-71.4	65	177.9	0	0	0	0	0	112.7	V644 L722 S728 V729 V730	V644-A726 HydrophobicContact CB-CB 4.39Å; V644-A726 HydrophobicContact CG1-CB 3.73Å; V644-A726 HydrophobicContact CG2-CB 3.8Å; L722-A726 PolarHBondContact O-N 2.89Å; A726-S728 PolarHBondContact O-N 2.74Å; A726-S728 VanDerWaalsContact O-N 3.13Å; A726-V729 HydrophobicContact CB-CB 4.21Å; A726-V729 HydrophobicContact CB-CG2 4.35Å; A726-V729 WeakPolarHBondContact O-CA 3.2Å; A726-V729 PolarHBondContact O-N 2.93Å; A726-V730 HydrophobicContact CB-CG2 4.37Å; A726-V730 WeakPolarHBondContact O-CG2 3.47Å; A726-V730 PolarHBondContact O-N 3.12Å
727	G	84.5	Confident	91.7	Very high	32 Å²	32	42.6 Å²	42.6	33%	0.33	21%	0.208	S	C	.	.	H	α-helix	trans	-56.8	-36.1	-160.1	0	0	0	0	0	116.7	S725 R731	S725-G727 PolarHBondContact O-N 2.81Å; G727-R731 WeakPolarHBondContact O-CB 3.36Å; G727-R731 VanDerWaalsContact O-CG 3.31Å; G727-R731 WeakPolarHBondContact O-CG 3.26Å; G727-R731 PolarHBondContact O-N 2.8Å; G727-R731 PolarHBondContact O-NE 3.44Å
728	S	87.2	Confident	91.4	Very high	44 Å²	44	42.1 Å²	42.1	31%	0.308	21%	0.206	S	C	.	.	H	α-helix	trans	-67.9	-43.3	174.7	43.8	0	0	0	0	111.8	E647 A726 R732	E647-S728 PolarHBondContact OE1-OG 3.07Å; A726-S728 PolarHBondContact O-N 2.74Å; A726-S728 VanDerWaalsContact O-N 3.13Å; S728-R732 PolarHBondContact O-N 3.11Å
729	V	90.5	Very high	91	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.9	-53.1	-179.7	-168.3	0	0	0	0	109.8	F640 S643 V644 E647 A726 R731 R732 W733	F640-V729 HydrophobicContact CD2-CG1 4.14Å; F640-V729 HydrophobicContact CE2-CG1 4.03Å; S643-V729 WeakPolarHBondContact OG-CG1 3.47Å; V644-V729 HydrophobicContact CG2-CB 4.09Å; V644-V729 HydrophobicContact CG2-CG1 3.74Å; E647-V729 HydrophobicContact CB-CG2 4.05Å; E647-V729 HydrophobicContact CG-CG2 4.16Å; E647-V729 VanDerWaalsContact OE2-CG2 3.22Å; E647-V729 WeakPolarHBondContact OE2-CG2 3.37Å; A726-V729 HydrophobicContact CB-CB 4.21Å; A726-V729 HydrophobicContact CB-CG2 4.35Å; A726-V729 WeakPolarHBondContact O-CA 3.2Å; A726-V729 PolarHBondContact O-N 2.93Å; V729-R731 VanDerWaalsContact C-N 3.25Å; V729-R731 PolarHBondContact O-N 3.32Å; V729-R732 WeakPolarHBondContact O-CA 3.45Å; V729-R732 VanDerWaalsContact O-CB 3.29Å; V729-R732 WeakPolarHBondContact O-CB 3.39Å; V729-R732 PolarHBondContact O-N 3.43Å; V729-W733 VanDerWaalsContact O-CD1 3.22Å; V729-W733 PolarHBondContact O-N 2.85Å; V729-W733 VanDerWaalsContact O-N 3.14Å
730	V	92.1	Very high	90.7	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.024	21%	0.205	C	C	.	.	H	α-helix	trans	-52	-44.7	179.4	171.3	0	0	0	0	111.4	F640 L723 A726 R732 W733 Y734 I740 R741	F640-V730 HydrophobicContact CE2-CG2 3.97Å; F640-V730 HydrophobicContact CZ-CG2 3.84Å; L723-V730 WeakPolarHBondContact O-CG2 3.38Å; A726-V730 HydrophobicContact CB-CG2 4.37Å; A726-V730 WeakPolarHBondContact O-CG2 3.47Å; A726-V730 PolarHBondContact O-N 3.12Å; V730-R732 VanDerWaalsContact C-N 3.27Å; V730-R732 PolarHBondContact O-N 3.04Å; V730-W733 PolarHBondContact O-N 3.36Å; V730-W733 VanDerWaalsContact O-N 3.15Å; V730-Y734 WeakPolarHBondContact O-CB 3.44Å; V730-Y734 PolarHBondContact O-N 3.34Å; V730-I740 HydrophobicContact CG1-CG2 3.85Å; V730-I740 HydrophobicContact CG2-CG2 3.91Å; V730-R741 HydrophobicContact CG1-CB 3.98Å; V730-R741 HydrophobicContact CG1-CG 4.25Å
731	R	91.3	Very high	90.4	Very high	144 Å²	144	45.2 Å²	45.2	54%	0.543	22%	0.217	S	C	.	.	H	α-helix	trans	-61.4	-31.8	177	-80.2	-177	-82.2	147.3	-10.7	113.7	K626 G727 V729	K626-R731 PolarHBondContact NZ-O 3.33Å; G727-R731 WeakPolarHBondContact O-CB 3.36Å; G727-R731 VanDerWaalsContact O-CG 3.31Å; G727-R731 WeakPolarHBondContact O-CG 3.26Å; G727-R731 PolarHBondContact O-N 2.8Å; G727-R731 PolarHBondContact O-NE 3.44Å; V729-R731 VanDerWaalsContact C-N 3.25Å; V729-R731 PolarHBondContact O-N 3.32Å
732	R	89.8	Confident	90.1	Very high	156 Å²	156	44 Å²	44	59%	0.589	21%	0.214	S	C	*	.	H	α-helix	trans	-72.5	-36.2	176.4	-167.6	-176.8	-56.7	158.1	10.4	111.8	K626 E647 S728 V729 V730	K626-R732 WeakPolarHBondContact CD-O 3.36Å; E647-R732 IonicContact OE2-NH2 2.85Å; S728-R732 PolarHBondContact O-N 3.11Å; V729-R732 WeakPolarHBondContact O-CA 3.45Å; V729-R732 VanDerWaalsContact O-CB 3.29Å; V729-R732 WeakPolarHBondContact O-CB 3.39Å; V729-R732 PolarHBondContact O-N 3.43Å; V730-R732 VanDerWaalsContact C-N 3.27Å; V730-R732 PolarHBondContact O-N 3.04Å
733	W	91.9	Very high	89.8	Confident	50 Å²	50	47 Å²	47	19%	0.189	24%	0.236	C	C	.	.	H	α-helix	trans	-97.3	-25.4	-171.1	-71.5	87.7	0	0	0	114.5	I625 K626 V635 L639 F640 S643 V729 V730	I625-W733 HydrophobicContact CD1-CE3 4.34Å; K626-W733 WeakPolarHBondContact CB-O 3.26Å; K626-W733 PolarHBondContact N-O 3.16Å; V635-W733 HydrophobicContact CG1-CE3 3.72Å; V635-W733 HydrophobicContact CG1-CH2 4.36Å; V635-W733 HydrophobicContact CG1-CZ3 3.26Å; L639-W733 HydrophobicContact CB-CH2 3.45Å; L639-W733 VanDerWaalsContact CB-CH2 3.45Å; L639-W733 HydrophobicContact CB-CZ2 4.49Å; L639-W733 HydrophobicContact CB-CZ3 3.68Å; F640-W733 HydrophobicContact CB-CD2 3.97Å; F640-W733 HydrophobicContact CB-CE3 3.84Å; F640-W733 HydrophobicContact CB-CG 4.28Å; F640-W733 HydrophobicContact CB-CZ3 4.35Å; F640-W733 HydrophobicContact CD2-CB 3.74Å; F640-W733 AromaticContact CD2-CD1 3.85Å; F640-W733 HydrophobicContact CD2-CD2 4.22Å; F640-W733 AromaticContact CD2-CG 3.68Å; F640-W733 HydrophobicContact CD2-CG 3.68Å; F640-W733 HydrophobicContact CE2-CB 4.38Å; F640-W733 HydrophobicContact CG-CB 4.45Å; F640-W733 HydrophobicContact CG-CG 4.42Å; S643-W733 PolarHBondContact OG-NE1 2.93Å; V729-W733 VanDerWaalsContact O-CD1 3.22Å; V729-W733 PolarHBondContact O-N 2.85Å; V729-W733 VanDerWaalsContact O-N 3.14Å; V730-W733 PolarHBondContact O-N 3.36Å; V730-W733 VanDerWaalsContact O-N 3.15Å
734	Y	93	Very high	89.4	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-125.8	145.7	-170.8	-73.5	-86.6	0	0	0	114.2	F621 G624 I625 K626 F640 V730 S738 I740 R741	F621-Y734 WeakPolarHBondContact O-CE1 3.26Å; F621-Y734 VanDerWaalsContact O-CZ 3.32Å; F621-Y734 PolarHBondContact O-OH 3.41Å; G624-Y734 WeakPolarHBondContact O-CA 3.49Å; G624-Y734 WeakPolarHBondContact O-CD1 3.49Å; I625-Y734 HydrophobicContact CB-CD1 4.36Å; I625-Y734 HydrophobicContact CB-CE1 3.88Å; I625-Y734 HydrophobicContact CG1-CE1 4.22Å; K626-Y734 WeakPolarHBondContact CE-O 3.41Å; K626-Y734 PolarHBondContact NZ-O 3.35Å; F640-Y734 HydrophobicContact CB-CE2 4.43Å; F640-Y734 AromaticContact CD1-CE2 3.74Å; F640-Y734 HydrophobicContact CD1-CE2 3.74Å; F640-Y734 HydrophobicContact CD2-CD2 4.39Å; F640-Y734 AromaticContact CD2-CE2 3.84Å; F640-Y734 HydrophobicContact CD2-CE2 3.84Å; F640-Y734 AromaticContact CE1-CE2 3.85Å; F640-Y734 HydrophobicContact CE1-CE2 3.85Å; F640-Y734 HydrophobicContact CE2-CD2 4.27Å; F640-Y734 AromaticContact CE2-CE2 3.95Å; F640-Y734 HydrophobicContact CE2-CE2 3.95Å; F640-Y734 AromaticContact CG-CE2 3.72Å; F640-Y734 HydrophobicContact CG-CE2 3.72Å; F640-Y734 HydrophobicContact CZ-CD2 4.45Å; F640-Y734 AromaticContact CZ-CE2 3.95Å; F640-Y734 HydrophobicContact CZ-CE2 3.95Å; V730-Y734 WeakPolarHBondContact O-CB 3.44Å; V730-Y734 PolarHBondContact O-N 3.34Å; Y734-S738 WeakPolarHBondContact CB-OG 3.09Å; Y734-I740 HydrophobicContact CD1-CB 4.09Å; Y734-I740 HydrophobicContact CD1-CG1 4Å; Y734-I740 HydrophobicContact CD2-CB 4.06Å; Y734-I740 HydrophobicContact CD2-CG1 4.37Å; Y734-I740 HydrophobicContact CD2-CG2 3.89Å; Y734-I740 HydrophobicContact CE1-CB 4.25Å; Y734-I740 HydrophobicContact CE1-CG1 3.68Å; Y734-I740 HydrophobicContact CE2-CB 4.23Å; Y734-I740 HydrophobicContact CE2-CG1 4.08Å; Y734-I740 HydrophobicContact CE2-CG2 3.99Å; Y734-I740 HydrophobicContact CG-CB 4.01Å; Y734-I740 HydrophobicContact CG-CG1 4.35Å; Y734-I740 HydrophobicContact CG-CG2 4.33Å; Y734-R741 PolarHBondContact O-NH1 3.5Å
735	H	89.4	Confident	89.4	Confident	73 Å²	73	49.3 Å²	49.3	34%	0.338	25%	0.25	S	C	.	.			trans	-69	153.6	168.3	-68.9	-80.6	0	0	0	111.2	G624 W737 S738	G624-H735 PolarHBondContact O-CD2 2.98Å; G624-H735 PolarHBondContact O-N 3.29Å; H735-W737 HydrophobicContact CB-CD2 4.14Å; H735-W737 HydrophobicContact CB-CG 4.29Å; H735-W737 HydrophobicContact CB-CZ2 4.07Å; H735-W737 AromaticContact CG-NE1 3.85Å; H735-W737 PolarHBondContact O-N 2.67Å; H735-S738 WeakPolarHBondContact O-CB 3.21Å; H735-S738 PolarHBondContact O-N 3.3Å; H735-S738 VanDerWaalsContact O-N 3.11Å; H735-S738 PolarHBondContact O-OG 3.48Å
736	D	88.2	Confident	89.4	Confident	105 Å²	105	49.3 Å²	49.3	56%	0.561	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.7	-179.6	-75.3	-78.8	0	0	0	114.1	S738 R741	D736-S738 VanDerWaalsContact C-N 3.34Å; D736-S738 PolarHBondContact O-N 3.5Å; D736-R741 VanDerWaalsContact CG-NH2 3.31Å; D736-R741 IonicContact OD1-CZ 2.77Å; D736-R741 IonicContact OD1-NE 2.75Å; D736-R741 PolarHBondContact OD1-NE 2.89Å; D736-R741 VanDerWaalsContact OD1-NE 3.1Å; D736-R741 IonicContact OD1-NH1 3.78Å; D736-R741 PolarHBondContact OD1-NH1 3.22Å; D736-R741 IonicContact OD1-NH2 3.02Å; D736-R741 PolarHBondContact OD1-NH2 3.2Å; D736-R741 IonicContact OD2-CZ 3.62Å; D736-R741 IonicContact OD2-NH1 3.57Å; D736-R741 PolarHBondContact OD2-NH1 2.94Å; D736-R741 IonicContact OD2-NH2 3.54Å; D736-R741 PolarHBondContact OD2-NH2 3.39Å
737	W	84.4	Confident	89.6	Confident	87 Å²	87	52.8 Å²	52.8	33%	0.33	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-0.7	-179.3	55.9	-105	0	0	0	114.1	K472 Q476 Y623 G624 H735	K472-W737 HydrophobicContact CD-CB 4.33Å; K472-W737 HydrophobicContact CD-CD2 3.98Å; K472-W737 HydrophobicContact CD-CE3 4.37Å; K472-W737 HydrophobicContact CD-CG 3.94Å; K472-W737 HydrophobicContact CG-CD2 4.49Å; K472-W737 HydrophobicContact CG-CE3 4.4Å; Q476-W737 PolarHBondContact NE2-O 3.32Å; Y623-W737 AromaticContact CD1-CZ3 3.96Å; Y623-W737 HydrophobicContact CD1-CZ3 3.96Å; Y623-W737 HydrophobicContact CD2-CZ3 4.37Å; Y623-W737 HydrophobicContact CE1-CE3 4.02Å; Y623-W737 AromaticContact CE1-CZ3 3.55Å; Y623-W737 HydrophobicContact CE1-CZ3 3.55Å; Y623-W737 HydrophobicContact CE2-CH2 4.42Å; Y623-W737 AromaticContact CE2-CZ3 4Å; Y623-W737 HydrophobicContact CE2-CZ3 4Å; Y623-W737 HydrophobicContact CG-CZ3 4.33Å; Y623-W737 AromaticContact CZ-CZ3 3.55Å; G624-W737 VanDerWaalsContact CA-CZ3 3.42Å; H735-W737 HydrophobicContact CB-CD2 4.14Å; H735-W737 HydrophobicContact CB-CG 4.29Å; H735-W737 HydrophobicContact CB-CZ2 4.07Å; H735-W737 AromaticContact CG-NE1 3.85Å; H735-W737 PolarHBondContact O-N 2.67Å
738	S	89.9	Confident	90.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-71.8	160.1	-179.7	79.1	0	0	0	0	111.9	Y734 H735 D736 I740 R741 S742	Y734-S738 WeakPolarHBondContact CB-OG 3.09Å; H735-S738 WeakPolarHBondContact O-CB 3.21Å; H735-S738 PolarHBondContact O-N 3.3Å; H735-S738 VanDerWaalsContact O-N 3.11Å; H735-S738 PolarHBondContact O-OG 3.48Å; D736-S738 VanDerWaalsContact C-N 3.34Å; D736-S738 PolarHBondContact O-N 3.5Å; S738-I740 VanDerWaalsContact C-N 3.29Å; S738-I740 PolarHBondContact O-N 3.32Å; S738-I740 PolarHBondContact OG-N 2.94Å; S738-R741 PolarHBondContact O-N 2.92Å; S738-R741 PolarHBondContact OG-N 2.97Å; S738-R741 VanDerWaalsContact OG-N 3.14Å; S738-S742 VanDerWaalsContact O-CB 3.28Å; S738-S742 WeakPolarHBondContact O-CB 3.48Å; S738-S742 PolarHBondContact O-N 2.97Å; S738-S742 VanDerWaalsContact O-N 3.07Å; S738-S742 PolarHBondContact O-OG 3.07Å
739	F	88.3	Confident	90.6	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.013	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-55.5	-48.1	169.1	-84.1	-65.5	0	0	0	111.6	Q476 L479 V480 I620 Y623 R741 S742 W745 V748	Q476-F739 VanDerWaalsContact CA-CE2 3.49Å; Q476-F739 VanDerWaalsContact CA-CZ 3.43Å; Q476-F739 HydrophobicContact CB-CE1 4.02Å; Q476-F739 HydrophobicContact CB-CE2 3.65Å; Q476-F739 HydrophobicContact CB-CZ 3.28Å; Q476-F739 HydrophobicContact CG-CD2 4.14Å; Q476-F739 HydrophobicContact CG-CE1 4.16Å; Q476-F739 HydrophobicContact CG-CE2 3.62Å; Q476-F739 HydrophobicContact CG-CZ 3.62Å; Q476-F739 VanDerWaalsContact O-CZ 3.24Å; Q476-F739 WeakPolarHBondContact O-CZ 3.39Å; L479-F739 HydrophobicContact CB-CE2 4.19Å; L479-F739 HydrophobicContact CD1-CE2 4.28Å; V480-F739 HydrophobicContact CG2-CE1 3.82Å; V480-F739 HydrophobicContact CG2-CE2 4.29Å; V480-F739 HydrophobicContact CG2-CZ 3.44Å; V480-F739 VanDerWaalsContact CG2-CZ 3.44Å; I620-F739 HydrophobicContact CG2-CB 4.22Å; I620-F739 HydrophobicContact CG2-CD2 4.12Å; I620-F739 HydrophobicContact CG2-CG 4.37Å; Y623-F739 HydrophobicContact CD1-CD2 4.45Å; F739-R741 PolarHBondContact O-N 2.96Å; F739-R741 VanDerWaalsContact O-N 3.09Å; F739-S742 PolarHBondContact O-N 2.93Å; F739-S742 VanDerWaalsContact O-N 3.17Å; F739-S742 PolarHBondContact O-OG 3.08Å; F739-W745 WeakPolarHBondContact O-CB 3.03Å; F739-V748 HydrophobicContact CD1-CG2 4.27Å; F739-V748 HydrophobicContact CE1-CG2 4.45Å
740	I	91.4	Very high	90.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-59.4	-26.9	-175.3	-49.8	-57.6	0	0	0	112.1	F621 F640 F720 C724 V730 Y734 S738	F621-I740 HydrophobicContact CD1-CD1 3.99Å; F621-I740 HydrophobicContact CE1-CD1 4.07Å; F640-I740 HydrophobicContact CE1-CG2 4.3Å; F640-I740 HydrophobicContact CZ-CG2 4.03Å; F720-I740 HydrophobicContact CE2-CD1 3.79Å; F720-I740 HydrophobicContact CZ-CD1 3.85Å; C724-I740 HydrophobicContact CB-CG2 4.49Å; V730-I740 HydrophobicContact CG1-CG2 3.85Å; V730-I740 HydrophobicContact CG2-CG2 3.91Å; Y734-I740 HydrophobicContact CD1-CB 4.09Å; Y734-I740 HydrophobicContact CD1-CG1 4Å; Y734-I740 HydrophobicContact CD2-CB 4.06Å; Y734-I740 HydrophobicContact CD2-CG1 4.37Å; Y734-I740 HydrophobicContact CD2-CG2 3.89Å; Y734-I740 HydrophobicContact CE1-CB 4.25Å; Y734-I740 HydrophobicContact CE1-CG1 3.68Å; Y734-I740 HydrophobicContact CE2-CB 4.23Å; Y734-I740 HydrophobicContact CE2-CG1 4.08Å; Y734-I740 HydrophobicContact CE2-CG2 3.99Å; Y734-I740 HydrophobicContact CG-CB 4.01Å; Y734-I740 HydrophobicContact CG-CG1 4.35Å; Y734-I740 HydrophobicContact CG-CG2 4.33Å; S738-I740 VanDerWaalsContact C-N 3.29Å; S738-I740 PolarHBondContact O-N 3.32Å; S738-I740 PolarHBondContact OG-N 2.94Å
741	R	90.8	Very high	91	Very high	74 Å²	74	49.4 Å²	49.4	28%	0.279	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-107.5	-3.7	-177.9	-166.2	161.9	173.1	-154.3	-2	114.4	V730 Y734 D736 S738 F739	V730-R741 HydrophobicContact CG1-CB 3.98Å; V730-R741 HydrophobicContact CG1-CG 4.25Å; Y734-R741 PolarHBondContact O-NH1 3.5Å; D736-R741 VanDerWaalsContact CG-NH2 3.31Å; D736-R741 IonicContact OD1-CZ 2.77Å; D736-R741 IonicContact OD1-NE 2.75Å; D736-R741 PolarHBondContact OD1-NE 2.89Å; D736-R741 VanDerWaalsContact OD1-NE 3.1Å; D736-R741 IonicContact OD1-NH1 3.78Å; D736-R741 PolarHBondContact OD1-NH1 3.22Å; D736-R741 IonicContact OD1-NH2 3.02Å; D736-R741 PolarHBondContact OD1-NH2 3.2Å; D736-R741 IonicContact OD2-CZ 3.62Å; D736-R741 IonicContact OD2-NH1 3.57Å; D736-R741 PolarHBondContact OD2-NH1 2.94Å; D736-R741 IonicContact OD2-NH2 3.54Å; D736-R741 PolarHBondContact OD2-NH2 3.39Å; S738-R741 PolarHBondContact O-N 2.92Å; S738-R741 PolarHBondContact OG-N 2.97Å; S738-R741 VanDerWaalsContact OG-N 3.14Å; F739-R741 PolarHBondContact O-N 2.96Å; F739-R741 VanDerWaalsContact O-N 3.09Å
742	S	88.4	Confident	91.3	Very high	22 Å²	22	42.8 Å²	42.8	15%	0.154	21%	0.205	C	C	.	.	S	Bend	trans	-115.8	160.4	-179.9	65.2	0	0	0	0	111.1	S738 F739 G744 W745	S738-S742 VanDerWaalsContact O-CB 3.28Å; S738-S742 WeakPolarHBondContact O-CB 3.48Å; S738-S742 PolarHBondContact O-N 2.97Å; S738-S742 VanDerWaalsContact O-N 3.07Å; S738-S742 PolarHBondContact O-OG 3.07Å; F739-S742 PolarHBondContact O-N 2.93Å; F739-S742 VanDerWaalsContact O-N 3.17Å; F739-S742 PolarHBondContact O-OG 3.08Å; S742-G744 PolarHBondContact O-N 3.01Å; S742-W745 PolarHBondContact O-N 2.86Å
743	P	85.7	Confident	91.7	Very high	104 Å²	104	36.5 Å²	36.5	68%	0.675	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-12	175.4	-25.3	35.1	0	0	0	114.8	W745 I746	P743-W745 PolarHBondContact O-N 3.05Å; P743-I746 WeakPolarHBondContact O-CB 3.37Å; P743-I746 WeakPolarHBondContact O-CG1 3.13Å; P743-I746 PolarHBondContact O-N 3.28Å; P743-I746 VanDerWaalsContact O-N 3.12Å
744	G	86.9	Confident	91.9	Very high	21 Å²	21	34.4 Å²	34.4	22%	0.216	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-21	176.1	0	0	0	0	0	114.6	S742 I746 Q747	S742-G744 PolarHBondContact O-N 3.01Å; G744-I746 PolarHBondContact O-N 3.01Å; G744-Q747 WeakPolarHBondContact O-CB 3.45Å; G744-Q747 PolarHBondContact O-N 3.23Å; G744-Q747 VanDerWaalsContact O-N 3.15Å
745	W	92.6	Very high	92	Very high	38 Å²	38	34.4 Å²	34.4	14%	0.144	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-25.7	173.7	70.5	-107.7	0	0	0	112.6	F720 E721 C724 F739 S742 P743 Q747 V748 K749	F720-W745 HydrophobicContact CE1-CB 3.73Å; F720-W745 WeakPolarHBondContact CE1-O 2.82Å; F720-W745 HydrophobicContact CZ-CB 4.24Å; E721-W745 HydrophobicContact CB-CH2 4.47Å; E721-W745 HydrophobicContact CB-CZ3 3.97Å; E721-W745 HydrophobicContact CG-CH2 3.86Å; E721-W745 HydrophobicContact CG-CZ3 3.87Å; C724-W745 HydrophobicContact CB-CB 4.15Å; C724-W745 HydrophobicContact CB-CD2 3.91Å; C724-W745 HydrophobicContact CB-CE3 4.39Å; C724-W745 HydrophobicContact CB-CG 3.77Å; F739-W745 WeakPolarHBondContact O-CB 3.03Å; S742-W745 PolarHBondContact O-N 2.86Å; P743-W745 PolarHBondContact O-N 3.05Å; W745-Q747 VanDerWaalsContact C-N 3.29Å; W745-Q747 PolarHBondContact O-N 2.94Å; W745-V748 PolarHBondContact O-N 2.94Å; W745-K749 HydrophobicContact CE3-CB 4.27Å; W745-K749 HydrophobicContact CZ3-CB 4.31Å; W745-K749 HydrophobicContact CZ3-CD 3.88Å; W745-K749 PolarHBondContact O-N 3.45Å
746	I	92.8	Very high	92.3	Very high	72 Å²	72	31.6 Å²	31.6	37%	0.369	16%	0.164	S	C	.	.	H	α-helix	trans	-61.9	-39.8	177.1	-61.7	171.3	0	0	0	110.5	P743 G744 V748 K749 C750	P743-I746 WeakPolarHBondContact O-CB 3.37Å; P743-I746 WeakPolarHBondContact O-CG1 3.13Å; P743-I746 PolarHBondContact O-N 3.28Å; P743-I746 VanDerWaalsContact O-N 3.12Å; G744-I746 PolarHBondContact O-N 3.01Å; I746-V748 VanDerWaalsContact C-N 3.34Å; I746-V748 PolarHBondContact O-N 2.68Å; I746-K749 WeakPolarHBondContact O-CB 2.98Å; I746-K749 PolarHBondContact O-N 3.13Å; I746-C750 PolarHBondContact O-N 2.87Å; I746-C750 PolarHBondContact O-SG 3.49Å
747	Q	92.5	Very high	92.4	Very high	79 Å²	79	30.2 Å²	30.2	37%	0.369	15%	0.154	S	C	.	.	H	α-helix	trans	-62.3	-44.2	176.7	-170.1	179.3	9.5	0	0	110.9	V480 Y511 G744 W745 C750 E751	V480-Q747 HydrophobicContact CG1-CG 4.05Å; Y511-Q747 HydrophobicContact CE1-CG 3.87Å; G744-Q747 WeakPolarHBondContact O-CB 3.45Å; G744-Q747 PolarHBondContact O-N 3.23Å; G744-Q747 VanDerWaalsContact O-N 3.15Å; W745-Q747 VanDerWaalsContact C-N 3.29Å; W745-Q747 PolarHBondContact O-N 2.94Å; Q747-C750 PolarHBondContact O-N 2.9Å; Q747-E751 WeakPolarHBondContact O-CG 3.41Å; Q747-E751 PolarHBondContact O-N 3.26Å; Q747-E751 VanDerWaalsContact O-N 3.14Å
748	V	95.3	Very high	92.8	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-42.7	176.7	174.7	0	0	0	0	111.2	V480 L483 I620 F720 F739 W745 I746 C750 E751 L752	V480-V748 HydrophobicContact CG2-CG2 4.15Å; L483-V748 HydrophobicContact CD2-CB 4.44Å; L483-V748 HydrophobicContact CD2-CG1 3.77Å; I620-V748 HydrophobicContact CD1-CG1 3.96Å; I620-V748 HydrophobicContact CD1-CG2 4.01Å; I620-V748 HydrophobicContact CG2-CG1 4.42Å; I620-V748 HydrophobicContact CG2-CG2 4.25Å; F720-V748 HydrophobicContact CD1-CB 4.35Å; F720-V748 HydrophobicContact CD1-CG1 3.96Å; F720-V748 HydrophobicContact CD2-CG1 4.42Å; F720-V748 HydrophobicContact CE1-CB 3.55Å; F720-V748 HydrophobicContact CE1-CG1 3.39Å; F720-V748 HydrophobicContact CE2-CG1 3.94Å; F720-V748 HydrophobicContact CG-CG1 4.44Å; F720-V748 HydrophobicContact CZ-CB 3.82Å; F720-V748 HydrophobicContact CZ-CG1 3.39Å; F720-V748 HydrophobicContact CZ-CG2 4.44Å; F739-V748 HydrophobicContact CD1-CG2 4.27Å; F739-V748 HydrophobicContact CE1-CG2 4.45Å; W745-V748 PolarHBondContact O-N 2.94Å; I746-V748 VanDerWaalsContact C-N 3.34Å; I746-V748 PolarHBondContact O-N 2.68Å; V748-C750 VanDerWaalsContact C-N 3.33Å; V748-C750 PolarHBondContact O-N 3.43Å; V748-E751 PolarHBondContact O-N 3.48Å; V748-L752 HydrophobicContact CG1-CD1 3.97Å; V748-L752 HydrophobicContact CG1-CG 4.33Å; V748-L752 WeakPolarHBondContact O-CG 3.33Å; V748-L752 PolarHBondContact O-N 3.04Å
749	K	96.6	Very high	92.6	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-55.5	-47.6	174.7	177.9	-177.1	173.1	-175.1	0	111.2	H516 D519 H717 F720 E721 W745 I746 E751 L752 R753	H516-K749 PolarHBondContact CE1-NZ 3.4Å; H516-K749 PolarHBondContact ND1-NZ 3.05Å; D519-K749 WeakPolarHBondContact OD2-CE 3.44Å; D519-K749 IonicContact OD2-NZ 2.76Å; D519-K749 PolarHBondContact OD2-NZ 3.47Å; H717-K749 HydrophobicContact CB-CG 4.25Å; F720-K749 HydrophobicContact CD1-CB 4.4Å; E721-K749 HydrophobicContact CB-CD 4.2Å; E721-K749 IonicContact OE1-NZ 2.93Å; E721-K749 VanDerWaalsContact OE2-CE 3.29Å; E721-K749 WeakPolarHBondContact OE2-CE 3.43Å; E721-K749 IonicContact OE2-NZ 3.25Å; E721-K749 PolarHBondContact OE2-NZ 3.38Å; W745-K749 HydrophobicContact CE3-CB 4.27Å; W745-K749 HydrophobicContact CZ3-CB 4.31Å; W745-K749 HydrophobicContact CZ3-CD 3.88Å; W745-K749 PolarHBondContact O-N 3.45Å; I746-K749 WeakPolarHBondContact O-CB 2.98Å; I746-K749 PolarHBondContact O-N 3.13Å; K749-E751 PolarHBondContact O-N 3.3Å; K749-L752 PolarHBondContact O-N 2.92Å; K749-R753 WeakPolarHBondContact O-CB 3.49Å; K749-R753 PolarHBondContact O-N 3.42Å
750	C	96.3	Very high	92.6	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.014	15%	0.15	C	C	.	.	H	α-helix	trans	-63.3	-40	-179.1	-61.7	0	0	0	0	112.2	A509 D510 Y511 I746 Q747 V748 R753	A509-C750 HydrophobicContact CB-CB 4.37Å; D510-C750 WeakPolarHBondContact O-CB 3.32Å; D510-C750 PolarHBondContact O-SG 3.06Å; Y511-C750 HydrophobicContact CD1-CB 3.53Å; Y511-C750 HydrophobicContact CE1-CB 3.63Å; Y511-C750 HydrophobicContact CG-CB 4.44Å; I746-C750 PolarHBondContact O-N 2.87Å; I746-C750 PolarHBondContact O-SG 3.49Å; Q747-C750 PolarHBondContact O-N 2.9Å; V748-C750 VanDerWaalsContact C-N 3.33Å; V748-C750 PolarHBondContact O-N 3.43Å; C750-R753 PolarHBondContact O-N 3.39Å; C750-R753 PolarHBondContact SG-NH2 3.36Å; C750-R753 VanDerWaalsContact SG-NH2 3.41Å
751	E	96.2	Very high	92.2	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.019	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-42.8	174.7	-62.8	-72.5	173.7	0	0	111.8	V480 L483 R484 Y511 Q747 V748 K749 R753 V754	V480-E751 HydrophobicContact CG1-CG 4.34Å; L483-E751 HydrophobicContact CD2-CB 3.81Å; L483-E751 HydrophobicContact CD2-CG 4.44Å; L483-E751 HydrophobicContact CG-CB 4.26Å; R484-E751 WeakPolarHBondContact CG-OE2 3.27Å; R484-E751 IonicContact CZ-OE1 3.68Å; R484-E751 VanDerWaalsContact CZ-OE1 3.23Å; R484-E751 IonicContact NE-OE1 2.83Å; R484-E751 PolarHBondContact NE-OE1 3.19Å; R484-E751 IonicContact NE-OE2 3.49Å; R484-E751 IonicContact NH2-OE1 2.85Å; R484-E751 PolarHBondContact NH2-OE1 2.92Å; Y511-E751 PolarHBondContact OH-OE1 2.82Å; Q747-E751 WeakPolarHBondContact O-CG 3.41Å; Q747-E751 PolarHBondContact O-N 3.26Å; Q747-E751 VanDerWaalsContact O-N 3.14Å; V748-E751 PolarHBondContact O-N 3.48Å; K749-E751 PolarHBondContact O-N 3.3Å; E751-R753 VanDerWaalsContact C-N 3.32Å; E751-R753 PolarHBondContact O-N 3.24Å; E751-V754 PolarHBondContact O-N 2.99Å
752	L	97.8	Very high	92.1	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-36	177.5	-68.5	173.7	0	0	0	112.1	L483 F613 V617 L716 H717 F720 V748 K749 V754 L755	L483-L752 HydrophobicContact CD1-CD2 3.99Å; L483-L752 HydrophobicContact CD2-CD2 4.39Å; L483-L752 HydrophobicContact CD2-CG 4.39Å; F613-L752 HydrophobicContact CE2-CD2 3.87Å; F613-L752 HydrophobicContact CZ-CD2 3.58Å; V617-L752 HydrophobicContact CG2-CD2 4.12Å; L716-L752 HydrophobicContact CD2-CD2 4.08Å; H717-L752 HydrophobicContact CB-CB 3.87Å; F720-L752 HydrophobicContact CB-CD1 3.79Å; F720-L752 HydrophobicContact CD1-CD1 4.26Å; F720-L752 HydrophobicContact CD2-CD1 4.19Å; F720-L752 HydrophobicContact CG-CD1 3.81Å; V748-L752 HydrophobicContact CG1-CD1 3.97Å; V748-L752 HydrophobicContact CG1-CG 4.33Å; V748-L752 WeakPolarHBondContact O-CG 3.33Å; V748-L752 PolarHBondContact O-N 3.04Å; K749-L752 PolarHBondContact O-N 2.92Å; L752-V754 PolarHBondContact O-N 3.18Å; L752-L755 WeakPolarHBondContact O-CB 3.41Å; L752-L755 PolarHBondContact O-N 3.32Å; L752-L755 VanDerWaalsContact O-N 3.07Å
753	R	96.5	Very high	92	Very high	24 Å²	24	27.8 Å²	27.8	9%	0.091	15%	0.149	C	C	.	.	H	α-helix	trans	-60.8	-29.9	-179.5	176.4	170.4	58.6	-162.7	0.6	113.1	D510 S515 D519 H717 K749 C750 E751 L755 A756	D510-R753 PolarHBondContact O-NH2 3.42Å; S515-R753 VanDerWaalsContact C-NH1 3.35Å; S515-R753 PolarHBondContact O-NH1 3.41Å; S515-R753 PolarHBondContact OG-NH1 3.48Å; S515-R753 PolarHBondContact OG-NH2 2.97Å; S515-R753 VanDerWaalsContact OG-NH2 3.08Å; D519-R753 WeakPolarHBondContact OD1-CD 3.46Å; D519-R753 IonicContact OD1-CZ 2.68Å; D519-R753 IonicContact OD1-NE 3.88Å; D519-R753 IonicContact OD1-NH1 3.7Å; D519-R753 PolarHBondContact OD1-NH1 2.97Å; D519-R753 IonicContact OD2-NH1 3.58Å; D519-R753 PolarHBondContact OD2-NH1 3.28Å; H717-R753 HydrophobicContact CB-CB 4.1Å; K749-R753 WeakPolarHBondContact O-CB 3.49Å; K749-R753 PolarHBondContact O-N 3.42Å; C750-R753 PolarHBondContact O-N 3.39Å; C750-R753 PolarHBondContact SG-NH2 3.36Å; C750-R753 VanDerWaalsContact SG-NH2 3.41Å; E751-R753 VanDerWaalsContact C-N 3.32Å; E751-R753 PolarHBondContact O-N 3.24Å; R753-L755 PolarHBondContact O-N 2.95Å; R753-L755 VanDerWaalsContact O-N 3.13Å; R753-A756 VanDerWaalsContact O-CB 3.24Å; R753-A756 WeakPolarHBondContact O-CB 3.18Å; R753-A756 PolarHBondContact O-N 3.47Å
754	V	96.4	Very high	92	Very high	6 Å²	6	23 Å²	23	4%	0.036	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-51.9	-37.9	173.9	174.9	0	0	0	0	110.9	V487 A509 E751 L752 A756 Q757	V487-V754 HydrophobicContact CG1-CB 3.83Å; V487-V754 HydrophobicContact CG1-CG1 3.87Å; A509-V754 HydrophobicContact CB-CG2 3.87Å; E751-V754 PolarHBondContact O-N 2.99Å; L752-V754 PolarHBondContact O-N 3.18Å; V754-A756 VanDerWaalsContact C-N 3.3Å; V754-A756 PolarHBondContact O-N 3.37Å; V754-Q757 PolarHBondContact O-NE2 2.66Å
755	L	96.7	Very high	91.9	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-73.3	-17.3	-179.9	-60.9	-177.3	0	0	0	113.9	V487 I490 F613 L711 L752 R753 Q757 F758 F760	V487-L755 HydrophobicContact CG1-CD2 3.95Å; V487-L755 HydrophobicContact CG1-CG 4.06Å; V487-L755 HydrophobicContact CG2-CD1 4.16Å; V487-L755 HydrophobicContact CG2-CG 4.29Å; I490-L755 HydrophobicContact CB-CD2 4.04Å; I490-L755 HydrophobicContact CD1-CD1 4.31Å; I490-L755 HydrophobicContact CG2-CD2 3.75Å; F613-L755 HydrophobicContact CD2-CD1 4.17Å; F613-L755 HydrophobicContact CE1-CD1 4.18Å; F613-L755 HydrophobicContact CE2-CD1 3.51Å; F613-L755 HydrophobicContact CZ-CD1 3.51Å; L711-L755 HydrophobicContact CD2-CB 3.99Å; L711-L755 HydrophobicContact CD2-CD1 3.73Å; L752-L755 WeakPolarHBondContact O-CB 3.41Å; L752-L755 PolarHBondContact O-N 3.32Å; L752-L755 VanDerWaalsContact O-N 3.07Å; R753-L755 PolarHBondContact O-N 2.95Å; R753-L755 VanDerWaalsContact O-N 3.13Å; L755-Q757 PolarHBondContact O-N 2.98Å; L755-Q757 VanDerWaalsContact O-N 3.15Å; L755-F758 HydrophobicContact CD2-CD2 4.31Å; L755-F758 HydrophobicContact CD2-CE2 4.46Å; L755-F758 PolarHBondContact O-N 2.82Å; L755-F758 VanDerWaalsContact O-N 3.13Å; L755-F760 HydrophobicContact CB-CE2 4.26Å; L755-F760 HydrophobicContact CB-CZ 4.36Å; L755-F760 HydrophobicContact CD2-CZ 4.35Å; L755-F760 WeakPolarHBondContact O-CE2 3.42Å
756	A	94	Very high	91.5	Very high	14 Å²	14	24.6 Å²	24.6	12%	0.116	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-66.4	-14.8	178.9	0	0	0	0	0	113.2	Q714 R753 V754 F758	Q714-A756 HydrophobicContact CB-CB 4.39Å; Q714-A756 PolarHBondContact NE2-O 2.85Å; R753-A756 VanDerWaalsContact O-CB 3.24Å; R753-A756 WeakPolarHBondContact O-CB 3.18Å; R753-A756 PolarHBondContact O-N 3.47Å; V754-A756 VanDerWaalsContact C-N 3.3Å; V754-A756 PolarHBondContact O-N 3.37Å; A756-F758 VanDerWaalsContact C-N 3.28Å; A756-F758 PolarHBondContact O-N 3.4Å
757	Q	92.1	Very high	91.1	Very high	76 Å²	76	24.5 Å²	24.5	36%	0.355	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-73.3	-17.1	174.8	-65.1	173.5	85.3	0	0	113.5	D506 V754 L755	D506-Q757 PolarHBondContact O-NE2 2.9Å; V754-Q757 PolarHBondContact O-NE2 2.66Å; L755-Q757 PolarHBondContact O-N 2.98Å; L755-Q757 VanDerWaalsContact O-N 3.15Å
758	F	91.4	Very high	90.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-107.5	140.1	-174.6	-52.7	-76.5	0	0	0	111.7	A491 M494 M495 Y502 A505 L755 A756 F760	A491-F758 HydrophobicContact CB-CE2 3.62Å; A491-F758 HydrophobicContact CB-CZ 3.69Å; M494-F758 HydrophobicContact CB-CD1 3.55Å; M494-F758 HydrophobicContact CB-CE1 3.9Å; M494-F758 HydrophobicContact CB-CG 4.03Å; M494-F758 HydrophobicContact CE-CB 3.77Å; M494-F758 HydrophobicContact CG-CB 4.25Å; M494-F758 HydrophobicContact CG-CD1 4.18Å; M494-F758 HydrophobicContact CG-CG 4.15Å; M495-F758 HydrophobicContact CG-CE1 3.88Å; M495-F758 HydrophobicContact CG-CZ 4.24Å; Y502-F758 AromaticContact CD1-CD1 3.67Å; Y502-F758 HydrophobicContact CD1-CD1 3.67Å; Y502-F758 HydrophobicContact CD1-CE1 4.11Å; Y502-F758 AromaticContact CD2-CD1 3.94Å; Y502-F758 HydrophobicContact CD2-CD1 3.94Å; Y502-F758 HydrophobicContact CD2-CE1 4.32Å; Y502-F758 HydrophobicContact CE1-CB 4.39Å; Y502-F758 AromaticContact CE1-CD1 3.82Å; Y502-F758 HydrophobicContact CE1-CD1 3.82Å; Y502-F758 HydrophobicContact CE2-CD1 4.07Å; Y502-F758 AromaticContact CG-CD1 3.74Å; Y502-F758 HydrophobicContact CG-CD1 3.74Å; Y502-F758 AromaticContact CG-CE1 3.92Å; Y502-F758 HydrophobicContact CG-CE1 3.92Å; A505-F758 HydrophobicContact CB-CE1 3.95Å; A505-F758 HydrophobicContact CB-CZ 4.07Å; L755-F758 HydrophobicContact CD2-CD2 4.31Å; L755-F758 HydrophobicContact CD2-CE2 4.46Å; L755-F758 PolarHBondContact O-N 2.82Å; L755-F758 VanDerWaalsContact O-N 3.13Å; A756-F758 VanDerWaalsContact C-N 3.28Å; A756-F758 PolarHBondContact O-N 3.4Å; F758-F760 HydrophobicContact CB-CD2 4.38Å; F758-F760 HydrophobicContact CB-CE2 3.77Å; F758-F760 HydrophobicContact CB-CZ 4.08Å; F758-F760 WeakPolarHBondContact O-CD2 3.41Å
759	M	86.5	Confident	89.7	Confident	50 Å²	50	25.8 Å²	25.8	25%	0.246	13%	0.134	C	C	.	.			trans	-87	115.7	172.2	-66.8	-174.5	-74	0	0	110	M494 Y502	M494-M759 WeakPolarHBondContact CE-O 3.42Å; Y502-M759 PolarHBondContact OH-N 2.85Å
760	F	87.5	Confident	88.1	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.018	18%	0.175	C	C	.	.			trans	-98.7	144.8	179.4	-68.3	-90.7	0	0	0	111.7	I490 M494 Y593 M605 L711 N712 L755 F758 L762	I490-F760 HydrophobicContact CG2-CE1 3.58Å; I490-F760 HydrophobicContact CG2-CZ 3.63Å; M494-F760 HydrophobicContact CG-CE1 4.45Å; M494-F760 HydrophobicContact SD-CE1 4.43Å; Y593-F760 WeakPolarHBondContact CE2-O 3.32Å; M605-F760 HydrophobicContact SD-CE1 4.45Å; L711-F760 HydrophobicContact CB-CB 4.26Å; L711-F760 HydrophobicContact CB-CD1 4.48Å; L711-F760 HydrophobicContact CB-CD2 3.83Å; L711-F760 HydrophobicContact CB-CE2 4.28Å; L711-F760 HydrophobicContact CB-CG 3.94Å; L711-F760 HydrophobicContact CD2-CE2 4.12Å; L711-F760 HydrophobicContact CD2-CZ 4.38Å; L711-F760 WeakPolarHBondContact O-CD2 3.47Å; N712-F760 VanDerWaalsContact OD1-CB 3.31Å; N712-F760 WeakPolarHBondContact OD1-CB 3.28Å; N712-F760 PolarHBondContact OD1-O 3.31Å; L755-F760 HydrophobicContact CB-CE2 4.26Å; L755-F760 HydrophobicContact CB-CZ 4.36Å; L755-F760 HydrophobicContact CD2-CZ 4.35Å; L755-F760 WeakPolarHBondContact O-CE2 3.42Å; F758-F760 HydrophobicContact CB-CD2 4.38Å; F758-F760 HydrophobicContact CB-CE2 3.77Å; F758-F760 HydrophobicContact CB-CZ 4.08Å; F758-F760 WeakPolarHBondContact O-CD2 3.41Å; F760-L762 HydrophobicContact CB-CD1 4.15Å; F760-L762 HydrophobicContact CB-CG 4.17Å; F760-L762 HydrophobicContact CD1-CD1 4.04Å; F760-L762 HydrophobicContact CD1-CG 4.38Å; F760-L762 HydrophobicContact CG-CD1 4.35Å
761	H	83.9	Confident	86	Confident	67 Å²	67	38.5 Å²	38.5	31%	0.31	22%	0.217	S	C	.	.			trans	-122.1	50.6	177.3	-55.6	100.8	0	0	0	111.1	F533 M555 Y593	F533-H761 AromaticContact CZ-NE2 3.92Å; M555-H761 HydrophobicContact CE-CB 4.23Å; M555-H761 VanDerWaalsContact SD-CD2 3.57Å; Y593-H761 HydrophobicContact CD1-CB 4.31Å; Y593-H761 VanDerWaalsContact CD2-CA 3.43Å; Y593-H761 HydrophobicContact CD2-CB 4.16Å; Y593-H761 AromaticContact CE1-CD2 3.54Å; Y593-H761 HydrophobicContact CE2-CB 4.32Å; Y593-H761 HydrophobicContact CG-CB 4.15Å; Y593-H761 AromaticContact CZ-CD2 3.47Å; Y593-H761 VanDerWaalsContact CZ-CD2 3.47Å
762	L	88.6	Confident	83.8	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	24%	0.237	C	C	.	.			trans	-84.9	135.5	-174.5	-58.1	164.5	0	0	0	111	M605 E606 V609 C708 L711 N712 F760	M605-L762 HydrophobicContact CG-CD2 4.21Å; E606-L762 HydrophobicContact CG-CD2 4.17Å; E606-L762 VanDerWaalsContact OE1-CA 3.25Å; E606-L762 WeakPolarHBondContact OE1-CA 3.5Å; V609-L762 HydrophobicContact CB-CD1 4.46Å; V609-L762 HydrophobicContact CB-CD2 4.45Å; V609-L762 HydrophobicContact CG1-CD1 3.92Å; V609-L762 HydrophobicContact CG2-CD1 4.24Å; V609-L762 HydrophobicContact CG2-CD2 4.22Å; C708-L762 HydrophobicContact CB-CB 3.86Å; C708-L762 HydrophobicContact CB-CD1 3.98Å; L711-L762 HydrophobicContact CB-CD1 4.09Å; L711-L762 HydrophobicContact CD1-CD1 3.83Å; N712-L762 PolarHBondContact ND2-O 3.35Å; N712-L762 WeakPolarHBondContact OD1-CB 3.42Å; N712-L762 PolarHBondContact OD1-N 3.16Å; F760-L762 HydrophobicContact CB-CD1 4.15Å; F760-L762 HydrophobicContact CB-CG 4.17Å; F760-L762 HydrophobicContact CD1-CD1 4.04Å; F760-L762 HydrophobicContact CD1-CG 4.38Å; F760-L762 HydrophobicContact CG-CD1 4.35Å
763	S	86.1	Confident	81.1	Confident	13 Å²	13	51.4 Å²	51.4	9%	0.091	27%	0.274	C	S	.	.			trans	-74.4	120.8	172.5	164.8	0	0	0	0	109.8	S594 E606 R610 G765 W766	S594-S763 VanDerWaalsContact CA-OG 3.3Å; S594-S763 WeakPolarHBondContact CA-OG 3.49Å; S594-S763 PolarHBondContact OG-OG 3.46Å; E606-S763 PolarHBondContact OE1-N 3.19Å; R610-S763 PolarHBondContact NH2-O 3.23Å; S763-G765 PolarHBondContact O-N 3.28Å; S763-G765 PolarHBondContact OG-N 3.16Å; S763-W766 PolarHBondContact OG-N 3.25Å
764	S	86.1	Confident	78.7	Confident	2 Å²	2	58 Å²	58	1%	0.014	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-26.2	173.4	82	0	0	0	0	112.4	D592 S594 S705	D592-S764 WeakPolarHBondContact OD1-CB 2.93Å; D592-S764 PolarHBondContact OD1-N 3.03Å; D592-S764 VanDerWaalsContact OD1-N 3.12Å; D592-S764 PolarHBondContact OD1-OG 3.22Å; D592-S764 PolarHBondContact OD2-OG 3.16Å; S594-S764 PolarHBondContact OG-N 3.09Å; S594-S764 VanDerWaalsContact OG-N 3.12Å; S594-S764 PolarHBondContact OG-OG 3.49Å; S705-S764 VanDerWaalsContact CB-O 3.31Å; S705-S764 WeakPolarHBondContact CB-O 3.42Å; S705-S764 PolarHBondContact OG-O 3.14Å
765	G	84.2	Confident	76.4	Confident	16 Å²	16	60.2 Å²	60.2	17%	0.165	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	7.1	-177.1	0	0	0	0	0	115.2	S594 S763 E767 L768	S594-G765 WeakPolarHBondContact OG-CA 3.39Å; S594-G765 PolarHBondContact OG-N 2.97Å; S763-G765 PolarHBondContact O-N 3.28Å; S763-G765 PolarHBondContact OG-N 3.16Å; G765-E767 PolarHBondContact O-N 3.46Å; G765-L768 WeakPolarHBondContact O-CA 3.48Å; G765-L768 VanDerWaalsContact O-CB 3.3Å; G765-L768 WeakPolarHBondContact O-CB 3.41Å; G765-L768 PolarHBondContact O-N 3.37Å
766	W	84.6	Confident	73.9	Confident	77 Å²	77	63.8 Å²	63.8	29%	0.292	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-33.8	-175.3	-173	-96.4	0	0	0	114.7	D598 E603 E606 S763	D598-W766 WeakPolarHBondContact OD1-CH2 3.35Å; D598-W766 VanDerWaalsContact OD1-CZ3 3.26Å; D598-W766 WeakPolarHBondContact OD1-CZ3 3.47Å; E603-W766 HydrophobicContact CB-CH2 4.29Å; E603-W766 HydrophobicContact CB-CZ2 4.4Å; E603-W766 HydrophobicContact CG-CH2 4.42Å; E603-W766 HydrophobicContact CG-CZ2 4.08Å; E606-W766 HydrophobicContact CB-CD2 4.37Å; E606-W766 HydrophobicContact CB-CZ2 4.49Å; E606-W766 HydrophobicContact CG-CD2 4.04Å; E606-W766 HydrophobicContact CG-CE3 4.1Å; E606-W766 HydrophobicContact CG-CZ3 4.43Å; S763-W766 PolarHBondContact OG-N 3.25Å
767	E	83.4	Confident	71.2	Confident	70 Å²	70	68.7 Å²	68.7	33%	0.327	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	4.5	-179.8	-67.5	178.8	-117.5	0	0	113.3	R610 V701 R704 G765	R610-E767 IonicContact CZ-OE1 3.83Å; R610-E767 IonicContact NH1-OE1 3.91Å; R610-E767 PolarHBondContact NH1-OE1 3.19Å; V701-E767 HydrophobicContact CG1-CB 3.76Å; V701-E767 HydrophobicContact CG2-CB 4.38Å; R704-E767 WeakPolarHBondContact CD-OE1 3.24Å; R704-E767 IonicContact CZ-OE1 2.72Å; R704-E767 IonicContact CZ-OE2 3.7Å; R704-E767 IonicContact NE-OE1 3.18Å; R704-E767 PolarHBondContact NE-OE1 3.16Å; R704-E767 IonicContact NE-OE2 2.72Å; R704-E767 PolarHBondContact NE-OE2 2.9Å; R704-E767 IonicContact NH2-OE1 3.59Å; R704-E767 IonicContact NH2-OE2 3.73Å; R704-E767 PolarHBondContact NH2-OE2 3.17Å; G765-E767 PolarHBondContact O-N 3.46Å
768	L	82.7	Confident	68.8	Low	22 Å²	22	69.9 Å²	69.9	12%	0.115	38%	0.377	C	S	.	.	S	Bend	trans	-90.5	154	176.4	-55.8	-176.2	0	0	0	110.3	C695 A697 V701 G765 A770	C695-L768 HydrophobicContact CB-CD2 4.06Å; A697-L768 HydrophobicContact CB-CD2 3.86Å; V701-L768 HydrophobicContact CG1-CD2 4.28Å; G765-L768 WeakPolarHBondContact O-CA 3.48Å; G765-L768 VanDerWaalsContact O-CB 3.3Å; G765-L768 WeakPolarHBondContact O-CB 3.41Å; G765-L768 PolarHBondContact O-N 3.37Å; L768-A770 PolarHBondContact O-N 2.92Å
769	P	75.3	Confident	66.4	Low	86 Å²	86	74.9 Å²	74.9	56%	0.558	41%	0.409	S	S	*	.			trans	-60.6	134.6	176.1	-20.3	31.9	0	0	0	112	N771	P769-N771 PolarHBondContact O-N 3.46Å
770	A	63.7	Low	64.7	Low	106 Å²	106	75.8 Å²	75.8	88%	0.876	41%	0.414	S	S	*	.	S	Bend	trans	-57.3	-20.3	-175.2	0	0	0	0	0	115.8	L768 Q772	L768-A770 PolarHBondContact O-N 2.92Å; A770-Q772 PolarHBondContact O-N 3.48Å; A770-Q772 VanDerWaalsContact O-N 3.09Å
771	N	51.7	Low	63	Low	165 Å²	165	85.2 Å²	85.2	88%	0.882	45%	0.45	S	S	*	.			trans	-84.6	72.1	-179.8	-72.1	-15	0	0	0	111.6	P769	P769-N771 PolarHBondContact O-N 3.46Å
772	Q	50.1	Low	61.7	Low	96 Å²	96	87.6 Å²	87.6	45%	0.449	46%	0.461	S	S	.	.			trans	-109.3	128.5	167.9	-87.9	-167.2	-2.3	0	0	112.9	C695 A770	C695-Q772 PolarHBondContact SG-NE2 3.43Å; A770-Q772 PolarHBondContact O-N 3.48Å; A770-Q772 VanDerWaalsContact O-N 3.09Å
773	K	41.4	Very low	59.9	Low	183 Å²	183	91.1 Å²	91.1	80%	0.796	49%	0.486	S	S	*	.			trans	-80	137.2	154.7	-72.4	-175.5	175.1	-173.8	0	108.2
774	R	46.1	Very low	58.4	Low	163 Å²	163	92.2 Å²	92.2	62%	0.615	49%	0.492	S	S	*	.			trans	-55.3	151.9	-174.7	-54.9	179.8	-150.6	-167	5.9	111.8	G776 D777	R774-G776 PolarHBondContact O-N 2.86Å; R774-D777 PolarHBondContact O-N 2.92Å; R774-D777 VanDerWaalsContact O-N 3.16Å
775	L	47.6	Very low	56.8	Low	51 Å²	51	96.7 Å²	96.7	27%	0.267	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-66.1	-20.4	169.2	-126.9	121.7	0	0	0	113.2	L690 T691 D777 Q778	L690-L775 HydrophobicContact CD2-CD1 4.17Å; L690-L775 HydrophobicContact CD2-CD2 3.35Å; L690-L775 HydrophobicContact CD2-CG 4.34Å; L690-L775 HydrophobicContact CG-CD1 4.01Å; L690-L775 HydrophobicContact CG-CD2 4.02Å; T691-L775 HydrophobicContact CG2-CD1 3.59Å; L775-D777 PolarHBondContact O-N 2.84Å; L775-Q778 PolarHBondContact O-N 3.31Å
776	G	44.3	Very low	55.5	Low	76 Å²	76	102 Å²	102	78%	0.784	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-62.9	-15.6	171.1	0	0	0	0	0	114.7	R774	R774-G776 PolarHBondContact O-N 2.86Å
777	D	38.4	Very low	54.4	Low	117 Å²	117	103.5 Å²	103.5	63%	0.626	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-92.9	0.2	177.5	-84.1	-12.1	0	0	0	113.6	R774 L775 P779	R774-D777 PolarHBondContact O-N 2.92Å; R774-D777 VanDerWaalsContact O-N 3.16Å; L775-D777 PolarHBondContact O-N 2.84Å; D777-P779 VanDerWaalsContact O-CD 3.29Å; D777-P779 WeakPolarHBondContact O-CD 3.45Å
778	Q	42.2	Very low	53.1	Low	102 Å²	102	101.2 Å²	101.2	48%	0.477	53%	0.531	S	S	.	.	S	Bend	trans	-81.1	116.7	177.6	-69.5	-168.5	5.8	0	0	110.3	L775 I780	L775-Q778 PolarHBondContact O-N 3.31Å; Q778-I780 PolarHBondContact O-N 3.5Å
779	P	41	Very low	52	Low	104 Å²	104	103.3 Å²	103.3	68%	0.675	54%	0.544	S	S	*	.			trans	-61.3	139.7	175	24	-31.3	0	0	0	110.1	D777 R781	D777-P779 VanDerWaalsContact O-CD 3.29Å; D777-P779 WeakPolarHBondContact O-CD 3.45Å; P779-R781 PolarHBondContact O-N 3.44Å
780	I	50	Low	51.5	Low	69 Å²	69	107 Å²	107	35%	0.354	55%	0.552	S	S	.	*			trans	-41.6	130	173.3	-62.9	170.6	0	0	0	109.3	T665 Q778 E782 V784 R785	T665-I780 HydrophobicContact CG2-CD1 4.02Å; T665-I780 HydrophobicContact CG2-CG1 4.48Å; Q778-I780 PolarHBondContact O-N 3.5Å; I780-E782 PolarHBondContact O-N 2.94Å; I780-V784 HydrophobicContact CG2-CB 3.77Å; I780-V784 HydrophobicContact CG2-CG1 3.83Å; I780-R785 HydrophobicContact CG2-CB 4.19Å
781	R	52.3	Low	51.2	Low	202 Å²	202	107.8 Å²	107.8	76%	0.762	54%	0.537	S	S	*	.			trans	-49.9	130.1	175	-85.4	-175.6	168.6	-169.3	-2.5	109.7	P779 S783 V784 R785	P779-R781 PolarHBondContact O-N 3.44Å; R781-S783 PolarHBondContact O-N 3.36Å; R781-V784 HydrophobicContact CB-CG2 4.15Å; R781-V784 WeakPolarHBondContact O-CA 3.38Å; R781-V784 WeakPolarHBondContact O-CB 3.43Å; R781-V784 PolarHBondContact O-N 3.35Å; R781-R785 PolarHBondContact O-N 3.33Å
782	E	55.2	Low	51.4	Low	117 Å²	117	108.1 Å²	108.1	55%	0.547	53%	0.533	S	S	.	.	H	α-helix	trans	-50	-37.7	-176	-154.9	70	-141	0	0	112.7	I780 V784 R785 E786	I780-E782 PolarHBondContact O-N 2.94Å; E782-V784 VanDerWaalsContact C-N 3.35Å; E782-V784 PolarHBondContact O-N 2.9Å; E782-R785 WeakPolarHBondContact O-CB 3.48Å; E782-R785 PolarHBondContact O-N 3.17Å; E782-E786 WeakPolarHBondContact O-CB 3.42Å; E782-E786 WeakPolarHBondContact O-CG 3.39Å; E782-E786 PolarHBondContact O-N 3.09Å
783	S	51.9	Low	51.5	Low	76 Å²	76	108.7 Å²	108.7	53%	0.531	54%	0.538	S	S	.	.	H	α-helix	trans	-66.5	-31.8	177.3	59.1	0	0	0	0	114.4	R781 M787	R781-S783 PolarHBondContact O-N 3.36Å; S783-M787 WeakPolarHBondContact O-CB 3.37Å; S783-M787 PolarHBondContact O-N 3.33Å
784	V	53.3	Low	51.4	Low	37 Å²	37	104.5 Å²	104.5	22%	0.224	52%	0.52	C	S	.	.	H	α-helix	trans	-74.3	-42.3	173.4	179.8	0	0	0	0	109	I780 R781 E782 E786 M787 L788	I780-V784 HydrophobicContact CG2-CB 3.77Å; I780-V784 HydrophobicContact CG2-CG1 3.83Å; R781-V784 HydrophobicContact CB-CG2 4.15Å; R781-V784 WeakPolarHBondContact O-CA 3.38Å; R781-V784 WeakPolarHBondContact O-CB 3.43Å; R781-V784 PolarHBondContact O-N 3.35Å; E782-V784 VanDerWaalsContact C-N 3.35Å; E782-V784 PolarHBondContact O-N 2.9Å; V784-E786 PolarHBondContact O-N 3.29Å; V784-M787 PolarHBondContact O-N 3.41Å; V784-L788 HydrophobicContact CG1-CD1 4.02Å; V784-L788 HydrophobicContact CG1-CG 4.36Å; V784-L788 WeakPolarHBondContact O-CB 3.36Å; V784-L788 WeakPolarHBondContact O-CG 3.44Å; V784-L788 PolarHBondContact O-N 3.09Å
785	R	53.4	Low	51.4	Low	96 Å²	96	101.3 Å²	101.3	36%	0.362	52%	0.523	S	S	.	.	H	α-helix	trans	-59	-47.1	174.4	-169.7	-176.6	-85.7	179.5	-10.8	111.5	I780 R781 E782 M787 L788 V789	I780-R785 HydrophobicContact CG2-CB 4.19Å; R781-R785 PolarHBondContact O-N 3.33Å; E782-R785 WeakPolarHBondContact O-CB 3.48Å; E782-R785 PolarHBondContact O-N 3.17Å; R785-M787 PolarHBondContact O-N 3.06Å; R785-L788 PolarHBondContact O-N 3.37Å; R785-V789 WeakPolarHBondContact O-CG2 3.45Å; R785-V789 PolarHBondContact O-N 3.03Å
786	E	57.1	Low	51.5	Low	127 Å²	127	109 Å²	109	59%	0.593	55%	0.548	S	S	*	.	H	α-helix	trans	-62.3	-40.7	174.9	-77.3	-178	169	0	0	112.4	E782 V784 K790	E782-E786 WeakPolarHBondContact O-CB 3.42Å; E782-E786 WeakPolarHBondContact O-CG 3.39Å; E782-E786 PolarHBondContact O-N 3.09Å; V784-E786 PolarHBondContact O-N 3.29Å; E786-K790 WeakPolarHBondContact O-CB 3.27Å; E786-K790 PolarHBondContact O-N 3.46Å
787	M	60.9	Low	51.4	Low	109 Å²	109	114.3 Å²	114.3	54%	0.537	55%	0.553	S	S	.	*	H	α-helix	trans	-62.1	-44	176.9	-171.5	-140.6	-66	0	0	111.5	S783 V784 R785 K790 H791	S783-M787 WeakPolarHBondContact O-CB 3.37Å; S783-M787 PolarHBondContact O-N 3.33Å; V784-M787 PolarHBondContact O-N 3.41Å; R785-M787 PolarHBondContact O-N 3.06Å; M787-K790 PolarHBondContact O-N 3.43Å; M787-H791 PolarHBondContact O-N 3.38Å; M787-H791 PolarHBondContact O-ND1 2.87Å; M787-H791 VanDerWaalsContact O-ND1 3.13Å
788	L	57.2	Low	51.2	Low	22 Å²	22	118.6 Å²	118.6	12%	0.115	57%	0.571	C	S	.	*	H	α-helix	trans	-66.4	-40.6	-179.6	-70.1	174.4	0	0	0	112.3	T665 F666 V784 R785 H792 L793	T665-L788 HydrophobicContact CG2-CD1 4.27Å; F666-L788 HydrophobicContact CE1-CD1 4.28Å; F666-L788 HydrophobicContact CZ-CD1 4.07Å; F666-L788 HydrophobicContact CZ-CD2 3.69Å; V784-L788 HydrophobicContact CG1-CD1 4.02Å; V784-L788 HydrophobicContact CG1-CG 4.36Å; V784-L788 WeakPolarHBondContact O-CB 3.36Å; V784-L788 WeakPolarHBondContact O-CG 3.44Å; V784-L788 PolarHBondContact O-N 3.09Å; R785-L788 PolarHBondContact O-N 3.37Å; L788-H792 PolarHBondContact O-N 3.37Å; L788-L793 HydrophobicContact CD2-CB 4.45Å; L788-L793 HydrophobicContact CD2-CD1 4.24Å; L788-L793 PolarHBondContact O-N 3.28Å
789	V	59.3	Low	51.7	Low	66 Å²	66	119.4 Å²	119.4	40%	0.4	58%	0.576	S	S	.	*	H	α-helix	trans	-65.7	-44.8	172.6	172	0	0	0	0	110.7	R785 H791 H792	R785-V789 WeakPolarHBondContact O-CG2 3.45Å; R785-V789 PolarHBondContact O-N 3.03Å; V789-H791 VanDerWaalsContact C-N 3.28Å; V789-H791 PolarHBondContact O-N 3.24Å; V789-H792 PolarHBondContact O-N 3.31Å
790	K	63.6	Low	52.2	Low	164 Å²	164	120.2 Å²	120.2	71%	0.713	57%	0.571	S	S	*	*	H	α-helix	trans	-63.5	-31.7	-178.4	-176.4	177.5	178.8	-178.7	0	113.1	E786 M787	E786-K790 WeakPolarHBondContact O-CB 3.27Å; E786-K790 PolarHBondContact O-N 3.46Å; M787-K790 PolarHBondContact O-N 3.43Å
791	H	58	Low	52.4	Low	122 Å²	122	123.1 Å²	123.1	57%	0.565	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	11.4	180	-68.7	60.2	0	0	0	113.1	M787 V789 L793	M787-H791 PolarHBondContact O-N 3.38Å; M787-H791 PolarHBondContact O-ND1 2.87Å; M787-H791 VanDerWaalsContact O-ND1 3.13Å; V789-H791 VanDerWaalsContact C-N 3.28Å; V789-H791 PolarHBondContact O-N 3.24Å; H791-L793 HydrophobicContact CB-CD1 4.4Å; H791-L793 PolarHBondContact O-N 2.79Å; H791-L793 VanDerWaalsContact O-N 3.1Å
792	H	56	Low	52.4	Low	171 Å²	171	118.4 Å²	118.4	79%	0.792	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	52	32.6	176.8	-61.5	-65.6	0	0	0	114.3	L788 V789 F794	L788-H792 PolarHBondContact O-N 3.37Å; V789-H792 PolarHBondContact O-N 3.31Å; H792-F794 VanDerWaalsContact C-N 3.34Å
793	L	51.3	Low	52.2	Low	109 Å²	109	118.5 Å²	118.5	57%	0.571	57%	0.574	S	S	*	*	S	Bend	trans	-77.9	-22.5	176.6	-79.3	160.7	0	0	0	111.8	L788 H791	L788-L793 HydrophobicContact CD2-CB 4.45Å; L788-L793 HydrophobicContact CD2-CD1 4.24Å; L788-L793 PolarHBondContact O-N 3.28Å; H791-L793 HydrophobicContact CB-CD1 4.4Å; H791-L793 PolarHBondContact O-N 2.79Å; H791-L793 VanDerWaalsContact O-N 3.1Å
794	F	41	Very low	52.2	Low	95 Å²	95	121.3 Å²	121.3	42%	0.417	58%	0.577	S	S	.	*			trans	-146.9	149.4	176.5	-74.1	-89.5	0	0	0	112.5	F666 H792 M798	F666-F794 HydrophobicContact CD1-CD2 4.14Å; F666-F794 HydrophobicContact CD1-CE1 4.26Å; F666-F794 AromaticContact CD1-CE2 3.37Å; F666-F794 HydrophobicContact CD1-CE2 3.37Å; F666-F794 AromaticContact CD1-CZ 3.41Å; F666-F794 HydrophobicContact CD1-CZ 3.41Å; F666-F794 VanDerWaalsContact CD1-CZ 3.41Å; F666-F794 HydrophobicContact CD2-CE2 4.46Å; F666-F794 AromaticContact CE1-CD2 3.33Å; F666-F794 HydrophobicContact CE1-CD2 3.33Å; F666-F794 HydrophobicContact CE1-CE1 4.36Å; F666-F794 AromaticContact CE1-CE2 2.88Å; F666-F794 HydrophobicContact CE1-CE2 2.88Å; F666-F794 HydrophobicContact CE1-CG 4.29Å; F666-F794 AromaticContact CE1-CZ 3.47Å; F666-F794 HydrophobicContact CE1-CZ 3.47Å; F666-F794 VanDerWaalsContact CE1-CZ 3.47Å; F666-F794 HydrophobicContact CE2-CE2 4.03Å; F666-F794 HydrophobicContact CG-CE2 4.17Å; F666-F794 HydrophobicContact CG-CZ 4.13Å; F666-F794 AromaticContact CZ-CD2 3.75Å; F666-F794 HydrophobicContact CZ-CD2 3.75Å; F666-F794 AromaticContact CZ-CE2 3.26Å; F666-F794 HydrophobicContact CZ-CE2 3.26Å; F666-F794 HydrophobicContact CZ-CZ 4.15Å; H792-F794 VanDerWaalsContact C-N 3.34Å; F794-M798 HydrophobicContact CD1-CE 3.76Å; F794-M798 HydrophobicContact CE1-CE 3.55Å
795	S	45.8	Very low	52.1	Low	95 Å²	95	127.4 Å²	127.4	66%	0.664	60%	0.602	S	S	*	*			trans	-106	155.4	170.9	56.5	0	0	0	0	111.5	E797	S795-E797 PolarHBondContact O-N 3.42Å
796	W	48.6	Very low	52	Low	212 Å²	212	129.8 Å²	129.8	80%	0.803	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	12.9	-170.6	-79.4	94.3	0	0	0	118
797	E	42.2	Very low	51.6	Low	188 Å²	188	130 Å²	130	88%	0.879	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	13.3	-178.4	-73.4	-170.3	165.6	0	0	114.8	S795	S795-E797 PolarHBondContact O-N 3.42Å
798	M	35.6	Very low	50.8	Low	207 Å²	207	131.9 Å²	131.9	100%	1.02	63%	0.631	S	S	*	*			trans	-116	0	161	-68.4	-147.8	-69.6	0	0	110	F794	F794-M798 HydrophobicContact CD1-CE 3.76Å; F794-M798 HydrophobicContact CE1-CE 3.55Å

Retrieved 798 of 798 residues in 2219.1 ms (Link to these results)

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