A0A087XRC0_POEFO Loading...

SH2 domain containing 3C

AlphaFold DB , UniProt , Accession A0A087XRC0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 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	32.6	Very low	29.7	Very low	237 Å²	237	142.3 Å²	142.3	100%	1.167	80%	0.799	S	S	*	*				0	139.3	0	-133.5	175.3	-178.5	0	0	107.2
2	L	33.1	Very low	29.4	Very low	172 Å²	172	138 Å²	138	90%	0.901	80%	0.795	S	S	*	*			trans	61.6	143.5	173.2	-72	161.4	0	0	0	118.8
3	Q	30.2	Very low	29.1	Very low	182 Å²	182	136.3 Å²	136.3	85%	0.85	80%	0.796	S	S	*	*			trans	-109.6	165.3	173.9	-55.6	148.3	-80.2	0	0	108.8
4	T	32.2	Very low	29	Very low	148 Å²	148	143.1 Å²	143.1	91%	0.908	80%	0.802	S	S	*	*			trans	-134.3	151.2	146.6	42.2	0	0	0	0	109.6
5	S	31.4	Very low	28.8	Very low	96 Å²	96	143.2 Å²	143.2	67%	0.671	80%	0.799	S	S	*	*			trans	-131.1	-171.3	-167.8	54.7	0	0	0	0	112
6	H	29.5	Very low	28.7	Very low	168 Å²	168	144.2 Å²	144.2	78%	0.778	80%	0.801	S	S	*	*			trans	102.1	126.4	178.4	-58.7	-67.9	0	0	0	114.7
7	S	29.1	Very low	28.3	Very low	95 Å²	95	139.2 Å²	139.2	66%	0.664	79%	0.79	S	S	*	*			cis	81	135.6	30.1	84.5	0	0	0	0	114.4
8	S	27.4	Very low	28.1	Very low	87 Å²	87	142.9 Å²	142.9	61%	0.608	80%	0.796	S	S	*	*			cis	-174.8	-176.3	-8.5	42.3	0	0	0	0	109.1
9	H	29.6	Very low	27.8	Very low	177 Å²	177	138.8 Å²	138.8	82%	0.819	79%	0.79	S	S	*	*			trans	73.1	158	168	-63.4	-68.8	0	0	0	118
10	S	26.3	Very low	27.7	Very low	94 Å²	94	140.6 Å²	140.6	66%	0.657	80%	0.796	S	S	*	*			cis	-171.8	167.2	-21.8	175.4	0	0	0	0	111
11	S	25.8	Very low	27.5	Very low	109 Å²	109	139.3 Å²	139.3	76%	0.762	80%	0.796	S	S	*	*			trans	89.8	160.5	152	-49.8	0	0	0	0	118.8
12	A	26.2	Very low	27.6	Very low	91 Å²	91	134.2 Å²	134.2	75%	0.752	78%	0.78	S	S	*	*				165.6	131.4	-51.4	0	0	0	0	0	111
13	S	24.6	Very low	27.1	Very low	116 Å²	116	129.4 Å²	129.4	81%	0.811	77%	0.772	S	S	*	*			trans	-154.3	133.7	163.4	-76.2	0	0	0	0	107.5
14	R	28.7	Very low	26.9	Very low	231 Å²	231	127.5 Å²	127.5	87%	0.872	77%	0.773	S	S	*	*			cis	65.3	136.1	44.4	-67.4	-163.6	-176	-155.8	4.7	113.5
15	L	26	Very low	26.8	Very low	145 Å²	145	126.9 Å²	126.9	76%	0.759	77%	0.769	S	S	*	*			cis	-173.5	153.4	-21.1	-128.3	173.9	0	0	0	106.8
16	L	26.2	Very low	26.5	Very low	159 Å²	159	127.2 Å²	127.2	83%	0.832	77%	0.771	S	S	*	*			trans	179.8	158	139.6	-103.6	172	0	0	0	111.2
17	G	22.4	Very low	26.5	Very low	60 Å²	60	126.9 Å²	126.9	62%	0.619	78%	0.775	S	S	*	*			trans	177	156.2	172.9	0	0	0	0	0	113.4
18	F	25.3	Very low	26.3	Very low	206 Å²	206	127.7 Å²	127.7	90%	0.904	78%	0.781	S	S	*	*			trans	-147.1	146.9	168.1	-74.7	-88	0	0	0	107.9
19	G	22.8	Very low	26.2	Very low	65 Å²	65	127.4 Å²	127.4	67%	0.67	78%	0.784	S	S	*	*			cis	141.5	56.8	-6.1	0	0	0	0	0	114.8
20	L	24.3	Very low	26	Very low	173 Å²	173	124.5 Å²	124.5	91%	0.906	78%	0.781	S	S	*	*			trans	-139.3	143.3	170.8	-77.1	179.9	0	0	0	113
21	S	25.1	Very low	26	Very low	115 Å²	115	126.9 Å²	126.9	80%	0.804	79%	0.791	S	S	*	*			trans	-170.4	146.5	176	-80.8	0	0	0	0	106.2
22	P	33.1	Very low	25.9	Very low	129 Å²	129	128.9 Å²	128.9	84%	0.838	79%	0.79	S	S	*	*				-148.9	151.5	78.2	37.9	-19.3	0	0	0	117.6
23	G	23.7	Very low	25.9	Very low	71 Å²	71	130.1 Å²	130.1	73%	0.732	79%	0.79	S	S	*	*				86	86.9	124.5	0	0	0	0	0	120.5
24	V	26.2	Very low	25.9	Very low	143 Å²	143	134.5 Å²	134.5	87%	0.867	80%	0.795	S	S	*	*				-136.1	128.5	126.7	179.2	0	0	0	0	107.5
25	V	29.5	Very low	25.8	Very low	135 Å²	135	133 Å²	133	82%	0.818	80%	0.795	S	S	*	*			trans	-94.7	121.1	174.5	178.8	0	0	0	0	109.1
26	S	25.4	Very low	26	Very low	103 Å²	103	130 Å²	130	72%	0.72	78%	0.776	S	S	*	*			trans	-131.6	123.2	168.7	-172.7	0	0	0	0	109.2	S28	S26-S28 PolarHBondContact O-N 3.08Å
27	N	28.5	Very low	26.2	Very low	160 Å²	160	124.7 Å²	124.7	86%	0.856	75%	0.752	S	S	*	*			trans	-79.1	84.7	-178.2	-89.9	-14.9	0	0	0	111	A29	N27-A29 PolarHBondContact O-N 3.41Å
28	S	25.6	Very low	26.8	Very low	113 Å²	113	128.3 Å²	128.3	79%	0.79	75%	0.751	S	S	*	*			trans	-83.4	95.1	162.5	45	0	0	0	0	110.3	S26	S26-S28 PolarHBondContact O-N 3.08Å
29	A	25	Very low	27.3	Very low	81 Å²	81	125.1 Å²	125.1	67%	0.669	74%	0.738	S	S	*	*			trans	-59.7	143.4	166.6	0	0	0	0	0	110	N27 V31	N27-A29 PolarHBondContact O-N 3.41Å; A29-V31 PolarHBondContact O-N 3.06Å
30	P	24.8	Very low	27.9	Very low	116 Å²	116	130 Å²	130	75%	0.753	74%	0.741	S	S	*	*			trans	-63.3	124.2	-179.6	25.8	-33.8	0	0	0	110.3	M32	P30-M32 PolarHBondContact O-N 2.76Å
31	V	26.9	Very low	28.6	Very low	144 Å²	144	126.3 Å²	126.3	87%	0.873	72%	0.718	S	S	*	*			trans	-69.5	95.7	173.8	179.5	0	0	0	0	108.1	A29 P33	A29-V31 PolarHBondContact O-N 3.06Å; V31-P33 WeakPolarHBondContact O-CD 3.37Å
32	M	23.1	Very low	29.3	Very low	150 Å²	150	127.4 Å²	127.4	74%	0.739	71%	0.705	S	S	*	*			trans	-58.8	122	176.3	-70.7	-80.8	-82.9	0	0	109.5	P30 F34	P30-M32 PolarHBondContact O-N 2.76Å; M32-F34 PolarHBondContact O-N 2.78Å; M32-F34 VanDerWaalsContact O-N 3.15Å
33	P	26.8	Very low	29.7	Very low	117 Å²	117	124.7 Å²	124.7	76%	0.76	68%	0.683	S	S	*	*			trans	-64.8	118.9	172.4	26.4	-32.4	0	0	0	108.5	V31 K35	V31-P33 WeakPolarHBondContact O-CD 3.37Å; P33-K35 PolarHBondContact O-N 2.84Å
34	F	25.1	Very low	30.5	Very low	208 Å²	208	129.5 Å²	129.5	91%	0.912	69%	0.686	S	S	*	*			trans	-63	99.7	174.1	-98.5	-95.9	0	0	0	109	M32 F36	M32-F34 PolarHBondContact O-N 2.78Å; M32-F34 VanDerWaalsContact O-N 3.15Å; F34-F36 PolarHBondContact O-N 3.08Å
35	K	26.3	Very low	31.5	Very low	201 Å²	201	126.5 Å²	126.5	87%	0.874	67%	0.67	S	S	*	*			trans	-58.2	113.6	174.8	-110.9	-177.5	176.5	179.7	0	109.2	P33 S37	P33-K35 PolarHBondContact O-N 2.84Å; K35-S37 PolarHBondContact O-N 2.96Å
36	F	30.6	Very low	32.7	Very low	82 Å²	82	121.6 Å²	121.6	36%	0.36	64%	0.64	S	S	.	*			trans	-64.5	99.8	169.3	-178.1	-99.7	0	0	0	108.9	F34 K38 P76 E78 V79	F34-F36 PolarHBondContact O-N 3.08Å; F36-K38 PolarHBondContact O-N 3.2Å; F36-P76 HydrophobicContact CE2-CG 4.35Å; F36-E78 HydrophobicContact CB-CG 4.45Å; F36-E78 HydrophobicContact CD1-CB 3.92Å; F36-E78 HydrophobicContact CD1-CG 4.47Å; F36-E78 HydrophobicContact CE1-CB 4.17Å; F36-E78 HydrophobicContact CG-CB 4.22Å; F36-E78 HydrophobicContact CG-CG 4.39Å; F36-V79 HydrophobicContact CE1-CG2 4.35Å; F36-V79 HydrophobicContact CE2-CG2 3.97Å; F36-V79 HydrophobicContact CZ-CG2 3.48Å; F36-V79 VanDerWaalsContact CZ-CG2 3.48Å
37	S	30.1	Very low	35	Very low	47 Å²	47	119.7 Å²	119.7	33%	0.329	63%	0.627	S	S	.	*			trans	-75.7	104.9	175.3	166	0	0	0	0	108.6	K35 E39 K40	K35-S37 PolarHBondContact O-N 2.96Å; S37-E39 WeakPolarHBondContact CB-OE2 3.49Å; S37-E39 PolarHBondContact O-N 3.45Å; S37-E39 VanDerWaalsContact O-N 3.07Å; S37-E39 PolarHBondContact OG-OE2 3.01Å; S37-K40 PolarHBondContact O-N 3.15Å
38	K	35.7	Very low	37.4	Very low	136 Å²	136	120.3 Å²	120.3	59%	0.591	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-14.5	175.3	-171.7	167.8	-178.5	168.7	0	112.3	F36 W42	F36-K38 PolarHBondContact O-N 3.2Å; K38-W42 PolarHBondContact O-NE1 2.96Å
39	E	35.5	Very low	40.2	Very low	138 Å²	138	122.1 Å²	122.1	65%	0.645	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-21	175	-51.7	92.4	161.1	0	0	114.4	S37	S37-E39 WeakPolarHBondContact CB-OE2 3.49Å; S37-E39 PolarHBondContact O-N 3.45Å; S37-E39 VanDerWaalsContact O-N 3.07Å; S37-E39 PolarHBondContact OG-OE2 3.01Å
40	K	35.5	Very low	42.9	Very low	167 Å²	167	119.8 Å²	119.8	73%	0.726	59%	0.594	S	S	*	*	S	Bend	trans	-93.9	-10	-161.8	-146.6	176.5	-175.9	-177.8	0	116.5	S37	S37-K40 PolarHBondContact O-N 3.15Å
41	F	38.9	Very low	45.7	Very low	96 Å²	96	121.2 Å²	121.2	42%	0.421	59%	0.585	S	S	.	*			trans	-134.9	59.7	-179.5	-82.4	-84.9	0	0	0	112.6	A181 F182	F41-A181 HydrophobicContact CD1-CB 4.31Å; F41-A181 HydrophobicContact CE1-CB 3.98Å; F41-F182 HydrophobicContact CB-CE1 4.41Å; F41-F182 HydrophobicContact CD1-CE1 4.2Å; F41-F182 HydrophobicContact CG-CE1 4.17Å
42	W	39.9	Very low	48.7	Very low	138 Å²	138	120.1 Å²	120.1	52%	0.523	57%	0.569	S	S	.	*			trans	-122.6	65.4	163	-64.1	101.2	0	0	0	110.7	K38	K38-W42 PolarHBondContact O-NE1 2.96Å
43	L	40.5	Very low	51.9	Low	72 Å²	72	115.9 Å²	115.9	38%	0.377	55%	0.547	S	S	.	.				34.9	102.8	123.9	-67.1	156.6	0	0	0	115.6	L173 F177	L43-L173 HydrophobicContact CD1-CD1 3.42Å; L43-L173 VanDerWaalsContact CD1-CD1 3.42Å; L43-L173 HydrophobicContact CD2-CD1 3.39Å; L43-L173 HydrophobicContact CG-CD1 3.94Å; L43-F177 HydrophobicContact CD2-CD1 4.11Å; L43-F177 HydrophobicContact CD2-CE1 3.32Å; L43-F177 HydrophobicContact CD2-CZ 3.66Å
44	E	41.5	Very low	54.9	Low	173 Å²	173	111.5 Å²	111.5	81%	0.808	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-49.8	150.6	157.5	-63	178.6	149.6	0	0	110.3
45	P	46.1	Very low	58	Low	80 Å²	80	106 Å²	106	52%	0.519	49%	0.494	S	S	.	.	S	Bend	trans	-53	128.8	176.3	23.2	-34.4	0	0	0	109.4	S47 S509	P45-S47 PolarHBondContact O-N 3.11Å; P45-S509 WeakPolarHBondContact CD-OG 3.29Å
46	P	54.8	Low	61.1	Low	31 Å²	31	100.7 Å²	100.7	20%	0.201	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-56.7	120.7	-171.8	16.6	-28.9	0	0	0	110.3	L50 R51 L173	P46-L50 HydrophobicContact CB-CB 3.76Å; P46-L50 HydrophobicContact CB-CD1 4.29Å; P46-R51 HydrophobicContact CB-CG 4.1Å; P46-R51 HydrophobicContact CG-CG 4.22Å; P46-R51 WeakPolarHBondContact O-CD 3.14Å; P46-R51 WeakPolarHBondContact O-CG 3.36Å; P46-L173 HydrophobicContact CB-CD2 3.77Å; P46-L173 HydrophobicContact CG-CD2 4.22Å
47	S	73.3	Confident	64.1	Low	63 Å²	63	97.8 Å²	97.8	44%	0.441	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-52.2	154.2	173.7	62.1	0	0	0	0	110.2	P45 K49 L50 R51	P45-S47 PolarHBondContact O-N 3.11Å; S47-K49 CarbonylContact O-C 3.6Å; S47-K49 PolarHBondContact O-N 2.82Å; S47-L50 WeakPolarHBondContact O-CA 3.3Å; S47-L50 WeakPolarHBondContact O-CB 3.36Å; S47-L50 PolarHBondContact O-N 2.82Å; S47-R51 PolarHBondContact O-N 3.3Å
48	E	78.7	Confident	67	Low	173 Å²	173	98.4 Å²	98.4	81%	0.808	46%	0.459	S	S	*	.	H	α-helix	trans	-50.2	-36	-179.1	-168.5	176.4	-170.6	0	0	112.4	R51 K52	E48-R51 PolarHBondContact O-N 3.3Å; E48-K52 WeakPolarHBondContact O-CB 3.14Å; E48-K52 PolarHBondContact O-N 2.99Å
49	K	84.3	Confident	69.7	Low	151 Å²	151	100.8 Å²	100.8	66%	0.657	47%	0.465	S	S	*	.	H	α-helix	trans	-57.5	-49.4	170	-176.5	179.6	177.6	-178.7	0	113.4	S47 K52 Q53	S47-K49 CarbonylContact O-C 3.6Å; S47-K49 PolarHBondContact O-N 2.82Å; K49-K52 PolarHBondContact O-N 3.49Å; K49-Q53 WeakPolarHBondContact O-CB 3.48Å; K49-Q53 VanDerWaalsContact O-CG 3.28Å; K49-Q53 WeakPolarHBondContact O-CG 3.42Å; K49-Q53 PolarHBondContact O-N 2.52Å
50	L	82.6	Confident	72.4	Confident	32 Å²	32	97.7 Å²	97.7	17%	0.168	45%	0.452	C	S	.	.	H	α-helix	trans	-67	-35.7	178.5	-70.7	171.9	0	0	0	112.1	P46 S47 Q53 L54 P174 F177	P46-L50 HydrophobicContact CB-CB 3.76Å; P46-L50 HydrophobicContact CB-CD1 4.29Å; S47-L50 WeakPolarHBondContact O-CA 3.3Å; S47-L50 WeakPolarHBondContact O-CB 3.36Å; S47-L50 PolarHBondContact O-N 2.82Å; L50-Q53 PolarHBondContact O-N 3.18Å; L50-L54 PolarHBondContact O-N 3.23Å; L50-P174 HydrophobicContact CB-CG 4.49Å; L50-P174 HydrophobicContact CD2-CG 3.79Å; L50-F177 HydrophobicContact CD1-CD2 4.17Å; L50-F177 HydrophobicContact CD1-CE2 4.37Å; L50-F177 HydrophobicContact CD2-CB 4.21Å; L50-F177 HydrophobicContact CD2-CD2 3.76Å; L50-F177 HydrophobicContact CD2-CG 4.32Å
51	R	83.6	Confident	74.9	Confident	146 Å²	146	93 Å²	93	55%	0.551	44%	0.44	S	S	*	.	H	α-helix	trans	-64.1	-47.4	174	-57.9	178.1	94.6	110.2	-3.9	110.6	P46 S47 E48 Q53 L54 E55	P46-R51 HydrophobicContact CB-CG 4.1Å; P46-R51 HydrophobicContact CG-CG 4.22Å; P46-R51 WeakPolarHBondContact O-CD 3.14Å; P46-R51 WeakPolarHBondContact O-CG 3.36Å; S47-R51 PolarHBondContact O-N 3.3Å; E48-R51 PolarHBondContact O-N 3.3Å; R51-Q53 PolarHBondContact O-N 3.21Å; R51-L54 WeakPolarHBondContact O-CB 3.35Å; R51-L54 PolarHBondContact O-N 3.04Å; R51-L54 VanDerWaalsContact O-N 3.16Å; R51-E55 PolarHBondContact O-N 2.73Å
52	K	89.1	Confident	76.9	Confident	122 Å²	122	91 Å²	91	53%	0.53	45%	0.446	S	S	.	.	H	α-helix	trans	-61	-42.2	176.1	-163.5	-171.2	-177.6	-138.3	0	112.2	E48 K49 L54 E55 E56	E48-K52 WeakPolarHBondContact O-CB 3.14Å; E48-K52 PolarHBondContact O-N 2.99Å; K49-K52 PolarHBondContact O-N 3.49Å; K52-L54 VanDerWaalsContact C-N 3.33Å; K52-L54 PolarHBondContact O-N 3.02Å; K52-E55 PolarHBondContact O-N 2.91Å; K52-E56 WeakPolarHBondContact CD-OE1 3.43Å; K52-E56 WeakPolarHBondContact CE-OE1 3.37Å; K52-E56 HydrophobicContact CG-CG 4.47Å; K52-E56 IonicContact NZ-OE1 2.76Å; K52-E56 PolarHBondContact NZ-OE1 3.21Å; K52-E56 WeakPolarHBondContact O-CB 3.3Å; K52-E56 VanDerWaalsContact O-CG 3.29Å; K52-E56 WeakPolarHBondContact O-CG 3.19Å; K52-E56 PolarHBondContact O-N 2.83Å
53	Q	90	Very high	78.9	Confident	61 Å²	61	90.6 Å²	90.6	29%	0.285	46%	0.46	S	S	.	.	H	α-helix	trans	-63.8	-35.7	175.3	-74.1	178.6	-62.4	0	0	112.6	K49 L50 R51 E57 P174	K49-Q53 WeakPolarHBondContact O-CB 3.48Å; K49-Q53 VanDerWaalsContact O-CG 3.28Å; K49-Q53 WeakPolarHBondContact O-CG 3.42Å; K49-Q53 PolarHBondContact O-N 2.52Å; L50-Q53 PolarHBondContact O-N 3.18Å; R51-Q53 PolarHBondContact O-N 3.21Å; Q53-E57 WeakPolarHBondContact O-CG 3.31Å; Q53-E57 PolarHBondContact O-N 3.29Å; Q53-P174 HydrophobicContact CB-CB 3.95Å; Q53-P174 HydrophobicContact CB-CG 4.01Å
54	L	90.6	Very high	81	Confident	25 Å²	25	90.1 Å²	90.1	13%	0.131	46%	0.457	C	S	.	.	H	α-helix	trans	-63.9	-47.6	171.4	172.9	63.7	0	0	0	110.9	L50 R51 K52 E56 E57 L58 R171	L50-L54 PolarHBondContact O-N 3.23Å; R51-L54 WeakPolarHBondContact O-CB 3.35Å; R51-L54 PolarHBondContact O-N 3.04Å; R51-L54 VanDerWaalsContact O-N 3.16Å; K52-L54 VanDerWaalsContact C-N 3.33Å; K52-L54 PolarHBondContact O-N 3.02Å; L54-E56 VanDerWaalsContact C-N 3.34Å; L54-E56 PolarHBondContact O-N 3.1Å; L54-E57 PolarHBondContact O-N 3.15Å; L54-L58 HydrophobicContact CD1-CD1 3.81Å; L54-L58 HydrophobicContact CD1-CG 3.97Å; L54-L58 HydrophobicContact CG-CD1 3.96Å; L54-L58 HydrophobicContact CG-CG 4.43Å; L54-L58 WeakPolarHBondContact O-CB 3.37Å; L54-L58 VanDerWaalsContact O-CG 3.28Å; L54-L58 WeakPolarHBondContact O-CG 3.13Å; L54-L58 PolarHBondContact O-N 3.01Å; L54-R171 HydrophobicContact CD1-CG 4.03Å; L54-R171 VanDerWaalsContact CD1-NH1 3.27Å
55	E	89.7	Confident	83.3	Confident	93 Å²	93	83.3 Å²	83.3	44%	0.435	43%	0.426	S	S	.	.	H	α-helix	trans	-61.7	-39.5	176.1	-69.5	178.6	-147.8	0	0	113.1	R51 K52 L58 R59	R51-E55 PolarHBondContact O-N 2.73Å; K52-E55 PolarHBondContact O-N 2.91Å; E55-L58 PolarHBondContact O-N 3.34Å; E55-R59 WeakPolarHBondContact O-CB 3.35Å; E55-R59 VanDerWaalsContact O-CG 3.25Å; E55-R59 WeakPolarHBondContact O-CG 3.49Å; E55-R59 PolarHBondContact O-N 3.1Å; E55-R59 IonicContact OE2-CZ 2.74Å; E55-R59 IonicContact OE2-NH1 2.87Å; E55-R59 PolarHBondContact OE2-NH1 3.4Å; E55-R59 IonicContact OE2-NH2 2.86Å
56	E	92.4	Very high	85.4	Confident	89 Å²	89	83.3 Å²	83.3	42%	0.416	42%	0.418	S	S	.	.	H	α-helix	trans	-65	-39.3	176.5	-74.5	168.2	177.4	0	0	111.3	K52 L54	K52-E56 WeakPolarHBondContact CD-OE1 3.43Å; K52-E56 WeakPolarHBondContact CE-OE1 3.37Å; K52-E56 HydrophobicContact CG-CG 4.47Å; K52-E56 IonicContact NZ-OE1 2.76Å; K52-E56 PolarHBondContact NZ-OE1 3.21Å; K52-E56 WeakPolarHBondContact O-CB 3.3Å; K52-E56 VanDerWaalsContact O-CG 3.29Å; K52-E56 WeakPolarHBondContact O-CG 3.19Å; K52-E56 PolarHBondContact O-N 2.83Å; L54-E56 VanDerWaalsContact C-N 3.34Å; L54-E56 PolarHBondContact O-N 3.1Å
57	E	93.3	Very high	87.2	Confident	20 Å²	20	82.7 Å²	82.7	9%	0.093	42%	0.415	C	S	.	.	H	α-helix	trans	-69.3	-39	172.7	-73.4	178	179.5	0	0	112.9	Q53 L54 R59 L60 S67 R171 P174 L175 S176	Q53-E57 WeakPolarHBondContact O-CG 3.31Å; Q53-E57 PolarHBondContact O-N 3.29Å; L54-E57 PolarHBondContact O-N 3.15Å; E57-R59 VanDerWaalsContact C-N 3.31Å; E57-R59 PolarHBondContact O-N 3.46Å; E57-L60 WeakPolarHBondContact O-CB 3.31Å; E57-L60 WeakPolarHBondContact O-CD1 3.24Å; E57-L60 VanDerWaalsContact O-CG 3.27Å; E57-L60 WeakPolarHBondContact O-CG 3.42Å; E57-L60 PolarHBondContact O-N 3.35Å; E57-S67 WeakPolarHBondContact O-CA 3.27Å; E57-R171 IonicContact OE2-CZ 2.7Å; E57-R171 VanDerWaalsContact OE2-CZ 3.27Å; E57-R171 IonicContact OE2-NH1 2.95Å; E57-R171 PolarHBondContact OE2-NH1 3.45Å; E57-R171 IonicContact OE2-NH2 2.69Å; E57-R171 PolarHBondContact OE2-NH2 2.95Å; E57-P174 WeakPolarHBondContact OE1-CB 3.49Å; E57-P174 VanDerWaalsContact OE2-CA 3.28Å; E57-P174 WeakPolarHBondContact OE2-CA 3.42Å; E57-L175 VanDerWaalsContact CD-N 3.31Å; E57-L175 PolarHBondContact OE1-N 2.9Å; E57-L175 PolarHBondContact OE2-N 3.4Å; E57-S176 PolarHBondContact OE1-N 3.42Å; E57-S176 PolarHBondContact OE1-OG 3.3Å
58	L	91.4	Very high	88.2	Confident	61 Å²	61	81.3 Å²	81.3	32%	0.319	40%	0.401	S	S	.	.	H	α-helix	trans	-72.6	-21.5	178.3	-66.6	178.7	0	0	0	113.1	L54 E55 L60 S67 A69	L54-L58 HydrophobicContact CD1-CD1 3.81Å; L54-L58 HydrophobicContact CD1-CG 3.97Å; L54-L58 HydrophobicContact CG-CD1 3.96Å; L54-L58 HydrophobicContact CG-CG 4.43Å; L54-L58 WeakPolarHBondContact O-CB 3.37Å; L54-L58 VanDerWaalsContact O-CG 3.28Å; L54-L58 WeakPolarHBondContact O-CG 3.13Å; L54-L58 PolarHBondContact O-N 3.01Å; E55-L58 PolarHBondContact O-N 3.34Å; L58-L60 VanDerWaalsContact C-N 3.27Å; L58-L60 PolarHBondContact O-N 2.85Å; L58-S67 WeakPolarHBondContact CD2-O 3.42Å; L58-A69 HydrophobicContact CD1-CB 4.5Å; L58-A69 HydrophobicContact CD2-CB 3.81Å
59	R	91.9	Very high	88.9	Confident	186 Å²	186	74.1 Å²	74.1	70%	0.702	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-1.1	172.2	-79.3	173.1	171.5	121.2	2.2	114.3	E55 E57	E55-R59 WeakPolarHBondContact O-CB 3.35Å; E55-R59 VanDerWaalsContact O-CG 3.25Å; E55-R59 WeakPolarHBondContact O-CG 3.49Å; E55-R59 PolarHBondContact O-N 3.1Å; E55-R59 IonicContact OE2-CZ 2.74Å; E55-R59 IonicContact OE2-NH1 2.87Å; E55-R59 PolarHBondContact OE2-NH1 3.4Å; E55-R59 IonicContact OE2-NH2 2.86Å; E57-R59 VanDerWaalsContact C-N 3.31Å; E57-R59 PolarHBondContact O-N 3.46Å
60	L	91.6	Very high	89.4	Confident	73 Å²	73	68.2 Å²	68.2	38%	0.382	35%	0.345	S	S	.	.	S	Bend	trans	-68.7	164.4	174.5	-64	171.4	0	0	0	111.4	E57 L58 N64 K66 S67	E57-L60 WeakPolarHBondContact O-CB 3.31Å; E57-L60 WeakPolarHBondContact O-CD1 3.24Å; E57-L60 VanDerWaalsContact O-CG 3.27Å; E57-L60 WeakPolarHBondContact O-CG 3.42Å; E57-L60 PolarHBondContact O-N 3.35Å; L58-L60 VanDerWaalsContact C-N 3.27Å; L58-L60 PolarHBondContact O-N 2.85Å; L60-N64 HydrophobicContact CB-CB 4.38Å; L60-K66 HydrophobicContact CD1-CB 3.87Å; L60-S67 WeakPolarHBondContact O-CB 3.48Å
61	S	89.6	Confident	90.1	Very high	67 Å²	67	68 Å²	68	47%	0.469	34%	0.342	S	S	.	.			trans	-59.1	148.9	-179.3	62.3	0	0	0	0	112.7	T63 N64 S67	S61-T63 WeakPolarHBondContact CB-OG1 3.48Å; S61-T63 PolarHBondContact O-N 2.96Å; S61-T63 PolarHBondContact OG-OG1 3.29Å; S61-N64 WeakPolarHBondContact O-CB 3.22Å; S61-N64 PolarHBondContact O-N 2.92Å; S61-S67 WeakPolarHBondContact O-CB 3.35Å; S61-S67 PolarHBondContact O-OG 3.41Å
62	G	80	Confident	90.6	Very high	54 Å²	54	61.4 Å²	61.4	56%	0.557	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.6	175.1	0	0	0	0	0	114.6	H68	G62-H68 PolarHBondContact O-NE2 2.91Å
63	T	81	Confident	90.8	Very high	131 Å²	131	55.6 Å²	55.6	80%	0.804	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-17.6	170.6	50.6	0	0	0	0	113.8	S61	S61-T63 WeakPolarHBondContact CB-OG1 3.48Å; S61-T63 PolarHBondContact O-N 2.96Å; S61-T63 PolarHBondContact OG-OG1 3.29Å
64	N	86.4	Confident	90.8	Very high	62 Å²	62	53.8 Å²	53.8	33%	0.332	29%	0.286	S	S	.	.	S	Bend	trans	-94	120	178.4	-174.1	-25.8	0	0	0	109.6	L60 S61 K66 S67	L60-N64 HydrophobicContact CB-CB 4.38Å; S61-N64 WeakPolarHBondContact O-CB 3.22Å; S61-N64 PolarHBondContact O-N 2.92Å; N64-K66 PolarHBondContact O-N 3.32Å; N64-K66 WeakPolarHBondContact OD1-CB 3.36Å; N64-K66 PolarHBondContact OD1-N 3.18Å; N64-S67 PolarHBondContact O-N 2.96Å; N64-S67 PolarHBondContact O-OG 2.85Å
65	L	89.1	Confident	90.7	Very high	30 Å²	30	52.7 Å²	52.7	16%	0.157	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-57.6	-21.2	-177.2	-169.7	57.9	0	0	0	113.5	S67 H68 W70 Y71 F102 V143 P144	L65-S67 VanDerWaalsContact C-N 3.34Å; L65-S67 PolarHBondContact O-N 2.85Å; L65-H68 PolarHBondContact O-N 2.96Å; L65-W70 HydrophobicContact CD1-CH2 3.94Å; L65-W70 HydrophobicContact CD1-CZ3 3.95Å; L65-Y71 HydrophobicContact CD1-CD2 4.21Å; L65-Y71 HydrophobicContact CD1-CG 4.09Å; L65-Y71 HydrophobicContact CD2-CD1 4.36Å; L65-Y71 HydrophobicContact CD2-CD2 3.69Å; L65-Y71 HydrophobicContact CD2-CE1 4.21Å; L65-Y71 HydrophobicContact CD2-CE2 3.5Å; L65-Y71 VanDerWaalsContact CD2-CE2 3.5Å; L65-Y71 HydrophobicContact CD2-CG 4.11Å; L65-Y71 HydrophobicContact CG-CD1 3.8Å; L65-Y71 HydrophobicContact CG-CD2 3.77Å; L65-Y71 HydrophobicContact CG-CE1 4.03Å; L65-Y71 HydrophobicContact CG-CE2 3.99Å; L65-Y71 HydrophobicContact CG-CG 3.65Å; L65-Y71 WeakPolarHBondContact O-CD1 3.33Å; L65-F102 HydrophobicContact CD2-CD1 4.48Å; L65-F102 HydrophobicContact CD2-CE1 3.67Å; L65-F102 HydrophobicContact CD2-CE2 4.33Å; L65-F102 HydrophobicContact CD2-CZ 3.58Å; L65-V143 HydrophobicContact CD1-CB 4.26Å; L65-V143 HydrophobicContact CD1-CG1 3.77Å; L65-P144 HydrophobicContact CD1-CG 4.35Å
66	K	91.1	Very high	90.6	Very high	79 Å²	79	48.8 Å²	48.8	34%	0.343	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-68.5	-23.8	175.9	-60.4	-159.6	173.7	-167.8	0	114.5	L60 N64 H68 R171 L175	L60-K66 HydrophobicContact CD1-CB 3.87Å; N64-K66 PolarHBondContact O-N 3.32Å; N64-K66 WeakPolarHBondContact OD1-CB 3.36Å; N64-K66 PolarHBondContact OD1-N 3.18Å; K66-H68 VanDerWaalsContact C-N 3.26Å; K66-H68 PolarHBondContact O-N 3.41Å; K66-R171 PolarHBondContact O-NH2 2.94Å; K66-L175 HydrophobicContact CB-CD1 3.78Å; K66-L175 HydrophobicContact CD-CD1 4.18Å; K66-L175 HydrophobicContact CG-CD1 3.72Å
67	S	92	Very high	90.3	Very high	19 Å²	19	50 Å²	50	13%	0.133	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-74	-17.6	177.4	61.5	0	0	0	0	113.5	E57 L58 L60 S61 N64 L65 A69	E57-S67 WeakPolarHBondContact O-CA 3.27Å; L58-S67 WeakPolarHBondContact CD2-O 3.42Å; L60-S67 WeakPolarHBondContact O-CB 3.48Å; S61-S67 WeakPolarHBondContact O-CB 3.35Å; S61-S67 PolarHBondContact O-OG 3.41Å; N64-S67 PolarHBondContact O-N 2.96Å; N64-S67 PolarHBondContact O-OG 2.85Å; L65-S67 VanDerWaalsContact C-N 3.34Å; L65-S67 PolarHBondContact O-N 2.85Å; S67-A69 PolarHBondContact O-N 2.87Å
68	H	93.9	Very high	90.1	Very high	34 Å²	34	51.4 Å²	51.4	16%	0.157	27%	0.27	C	S	.	.			trans	-83.1	113	-178.2	-66.8	-86.4	0	0	0	110.6	G62 L65 K66 W70 Y71 P144	G62-H68 PolarHBondContact O-NE2 2.91Å; L65-H68 PolarHBondContact O-N 2.96Å; K66-H68 VanDerWaalsContact C-N 3.26Å; K66-H68 PolarHBondContact O-N 3.41Å; H68-W70 HydrophobicContact CB-CD2 3.94Å; H68-W70 HydrophobicContact CB-CE3 4.27Å; H68-W70 HydrophobicContact CB-CH2 4.06Å; H68-W70 HydrophobicContact CB-CZ2 3.69Å; H68-W70 HydrophobicContact CB-CZ3 4.33Å; H68-W70 AromaticContact CG-CE2 3.84Å; H68-W70 AromaticContact CG-CZ2 3.51Å; H68-W70 AromaticContact ND1-CE2 3.58Å; H68-W70 AromaticContact ND1-CZ2 3.26Å; H68-W70 VanDerWaalsContact ND1-CZ2 3.26Å; H68-W70 WeakPolarHBondContact ND1-CZ2 3.34Å; H68-W70 AromaticContact ND1-NE1 3.62Å; H68-W70 PolarHBondContact O-N 3.18Å; H68-Y71 PolarHBondContact O-N 2.87Å; H68-P144 WeakPolarHBondContact NE2-CG 3.28Å
69	A	93.6	Very high	89.8	Confident	21 Å²	21	49.4 Å²	49.4	17%	0.174	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-24	-177.8	0	0	0	0	0	113.6	L58 S67 Y71 N170 R171	L58-A69 HydrophobicContact CD1-CB 4.5Å; L58-A69 HydrophobicContact CD2-CB 3.81Å; S67-A69 PolarHBondContact O-N 2.87Å; A69-Y71 VanDerWaalsContact C-N 3.29Å; A69-Y71 PolarHBondContact O-N 2.9Å; A69-N170 HydrophobicContact CB-CB 3.87Å; A69-N170 WeakPolarHBondContact CB-OD1 3.16Å; A69-N170 CarbonylContact O-C 3.56Å; A69-N170 WeakPolarHBondContact O-CA 3.36Å; A69-R171 WeakPolarHBondContact O-CG 3.3Å; A69-R171 PolarHBondContact O-N 3.28Å
70	W	95.4	Very high	89.7	Confident	28 Å²	28	40.5 Å²	40.5	11%	0.106	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-3.3	174.9	50.2	-107.4	0	0	0	114.8	L65 H68 H72 F90 F92 V143 P144 V147 P168 N170	L65-W70 HydrophobicContact CD1-CH2 3.94Å; L65-W70 HydrophobicContact CD1-CZ3 3.95Å; H68-W70 HydrophobicContact CB-CD2 3.94Å; H68-W70 HydrophobicContact CB-CE3 4.27Å; H68-W70 HydrophobicContact CB-CH2 4.06Å; H68-W70 HydrophobicContact CB-CZ2 3.69Å; H68-W70 HydrophobicContact CB-CZ3 4.33Å; H68-W70 AromaticContact CG-CE2 3.84Å; H68-W70 AromaticContact CG-CZ2 3.51Å; H68-W70 AromaticContact ND1-CE2 3.58Å; H68-W70 AromaticContact ND1-CZ2 3.26Å; H68-W70 VanDerWaalsContact ND1-CZ2 3.26Å; H68-W70 WeakPolarHBondContact ND1-CZ2 3.34Å; H68-W70 AromaticContact ND1-NE1 3.62Å; H68-W70 PolarHBondContact O-N 3.18Å; W70-H72 PolarHBondContact O-CD2 3.46Å; W70-F90 HydrophobicContact CB-CE2 4.48Å; W70-F90 HydrophobicContact CG-CE2 4.42Å; W70-F92 HydrophobicContact CE3-CB 3.74Å; W70-F92 HydrophobicContact CE3-CG 4.41Å; W70-F92 HydrophobicContact CZ3-CB 3.79Å; W70-F92 HydrophobicContact CZ3-CD2 4.19Å; W70-F92 HydrophobicContact CZ3-CG 4.05Å; W70-F92 PolarHBondContact O-N 3.47Å; W70-V143 HydrophobicContact CH2-CG1 3.95Å; W70-V143 HydrophobicContact CZ3-CG1 3.98Å; W70-P144 HydrophobicContact CH2-CB 4.46Å; W70-P144 HydrophobicContact CH2-CG 4.22Å; W70-P144 HydrophobicContact CZ2-CB 4.36Å; W70-P144 HydrophobicContact CZ2-CG 4.46Å; W70-V147 HydrophobicContact CE3-CG2 4.46Å; W70-V147 HydrophobicContact CH2-CB 4.15Å; W70-V147 HydrophobicContact CH2-CG1 4.48Å; W70-V147 HydrophobicContact CH2-CG2 3.76Å; W70-V147 HydrophobicContact CZ2-CB 4.05Å; W70-V147 HydrophobicContact CZ2-CG1 4.02Å; W70-V147 HydrophobicContact CZ2-CG2 4.13Å; W70-V147 HydrophobicContact CZ3-CG2 3.94Å; W70-P168 HydrophobicContact CB-CB 3.8Å; W70-P168 HydrophobicContact CG-CB 4.22Å; W70-N170 PolarHBondContact N-OD1 3.19Å
71	Y	96.6	Very high	89.8	Confident	26 Å²	26	40.7 Å²	40.7	10%	0.102	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-98.7	114.2	175.1	170	-105.7	0	0	0	110.9	L65 H68 A69 F92 D94 F102 R171 L175	L65-Y71 HydrophobicContact CD1-CD2 4.21Å; L65-Y71 HydrophobicContact CD1-CG 4.09Å; L65-Y71 HydrophobicContact CD2-CD1 4.36Å; L65-Y71 HydrophobicContact CD2-CD2 3.69Å; L65-Y71 HydrophobicContact CD2-CE1 4.21Å; L65-Y71 HydrophobicContact CD2-CE2 3.5Å; L65-Y71 VanDerWaalsContact CD2-CE2 3.5Å; L65-Y71 HydrophobicContact CD2-CG 4.11Å; L65-Y71 HydrophobicContact CG-CD1 3.8Å; L65-Y71 HydrophobicContact CG-CD2 3.77Å; L65-Y71 HydrophobicContact CG-CE1 4.03Å; L65-Y71 HydrophobicContact CG-CE2 3.99Å; L65-Y71 HydrophobicContact CG-CG 3.65Å; L65-Y71 WeakPolarHBondContact O-CD1 3.33Å; H68-Y71 PolarHBondContact O-N 2.87Å; A69-Y71 VanDerWaalsContact C-N 3.29Å; A69-Y71 PolarHBondContact O-N 2.9Å; Y71-F92 WeakPolarHBondContact CA-O 3.3Å; Y71-F92 HydrophobicContact CD2-CB 4.35Å; Y71-D94 PolarHBondContact OH-OD1 3.4Å; Y71-D94 VanDerWaalsContact OH-OD1 3.1Å; Y71-F102 HydrophobicContact CE2-CD1 4.11Å; Y71-F102 AromaticContact CE2-CE1 3.84Å; Y71-F102 HydrophobicContact CE2-CE1 3.84Å; Y71-R171 WeakPolarHBondContact O-CD 3.46Å; Y71-L175 HydrophobicContact CD1-CD1 3.79Å; Y71-L175 HydrophobicContact CD1-CD2 3.99Å; Y71-L175 HydrophobicContact CE1-CD1 3.86Å; Y71-L175 HydrophobicContact CE1-CD2 3.9Å
72	H	94.5	Very high	89.7	Confident	8 Å²	8	39.6 Å²	39.6	4%	0.037	22%	0.218	C	C	.	.			trans	-99.2	-2.3	-172.9	-67.4	-114.6	0	0	0	114	W70 I75 F92 V169 L175 L178	W70-H72 PolarHBondContact O-CD2 3.46Å; H72-I75 HydrophobicContact CB-CD1 3.54Å; H72-I75 HydrophobicContact CB-CG1 3.78Å; H72-I75 HydrophobicContact CB-CG2 4.09Å; H72-F92 PolarHBondContact N-O 3.04Å; H72-V169 PolarHBondContact NE2-O 3.04Å; H72-L175 VanDerWaalsContact C-CD2 3.42Å; H72-L178 WeakPolarHBondContact O-CD1 3.37Å
73	G	92.8	Very high	90.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.			trans	62.6	-136.4	-177.7	0	0	0	0	0	112.7	I75 R93 D94	G73-I75 PolarHBondContact O-N 2.95Å; G73-R93 WeakPolarHBondContact O-CA 3.44Å; G73-R93 WeakPolarHBondContact O-CB 3.27Å; G73-D94 WeakPolarHBondContact CA-OD2 3.46Å; G73-D94 PolarHBondContact O-N 2.9Å
74	P	90.4	Very high	90.6	Very high	23 Å²	23	33.3 Å²	33.3	15%	0.149	17%	0.167	C	C	.	.	S	Bend	trans	-82.8	34.9	-164.2	33.6	-37.3	0	0	0	114.9	D94 E179 F182 S183	P74-D94 WeakPolarHBondContact CD-OD2 3.2Å; P74-D94 VanDerWaalsContact N-OD2 3.1Å; P74-E179 HydrophobicContact CG-CB 4.2Å; P74-F182 WeakPolarHBondContact O-CB 3.25Å; P74-S183 WeakPolarHBondContact CG-OG 3.33Å
75	I	88.4	Confident	90.7	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	18%	0.177	C	C	.	.			trans	-66.6	143	176.7	60.4	163.2	0	0	0	111.9	H72 G73 V79 L83 L91 R93 L178 F182	H72-I75 HydrophobicContact CB-CD1 3.54Å; H72-I75 HydrophobicContact CB-CG1 3.78Å; H72-I75 HydrophobicContact CB-CG2 4.09Å; G73-I75 PolarHBondContact O-N 2.95Å; I75-V79 HydrophobicContact CB-CB 4.36Å; I75-V79 HydrophobicContact CB-CG1 4.19Å; I75-V79 HydrophobicContact CD1-CG1 4.22Å; I75-V79 HydrophobicContact CG2-CG1 4.44Å; I75-L83 HydrophobicContact CD1-CD1 4.07Å; I75-L91 HydrophobicContact CD1-CD1 4.06Å; I75-L91 HydrophobicContact CD1-CD2 4.41Å; I75-R93 HydrophobicContact CD1-CB 4.36Å; I75-R93 HydrophobicContact CG1-CB 3.73Å; I75-R93 HydrophobicContact CG1-CG 4.45Å; I75-L178 HydrophobicContact CG2-CD2 4.46Å; I75-F182 HydrophobicContact CG2-CD2 3.98Å; I75-F182 HydrophobicContact CG2-CE2 3.89Å
76	P	88.2	Confident	90.8	Very high	12 Å²	12	37.9 Å²	37.9	8%	0.078	19%	0.194	C	C	.	.			trans	-59.7	159.8	171.1	-21.5	31.5	0	0	0	113.2	F36 E78 V79 S80 F182	F36-P76 HydrophobicContact CE2-CG 4.35Å; P76-E78 VanDerWaalsContact C-N 3.33Å; P76-E78 WeakPolarHBondContact CB-OE2 3.43Å; P76-V79 HydrophobicContact CB-CG2 4.14Å; P76-V79 HydrophobicContact CG-CG2 4.04Å; P76-V79 WeakPolarHBondContact O-CB 3.34Å; P76-V79 PolarHBondContact O-N 3.38Å; P76-S80 PolarHBondContact O-N 3.22Å; P76-S80 VanDerWaalsContact O-N 3.13Å; P76-F182 HydrophobicContact CG-CD1 4.04Å; P76-F182 HydrophobicContact CG-CE1 4.41Å; P76-F182 HydrophobicContact CG-CG 4.42Å
77	W	85.8	Confident	90.8	Very high	114 Å²	114	39.5 Å²	39.5	43%	0.432	20%	0.203	S	C	.	.	H	α-helix	trans	-68.9	-39.2	-179.4	67.3	-78.5	0	0	0	110.6	V79 S80 E81 R93 H114	W77-V79 PolarHBondContact O-N 3.38Å; W77-S80 WeakPolarHBondContact CA-OG 3.45Å; W77-S80 WeakPolarHBondContact O-CA 3.32Å; W77-S80 PolarHBondContact O-N 2.93Å; W77-S80 PolarHBondContact O-OG 3.3Å; W77-E81 HydrophobicContact CE3-CG 4.19Å; W77-E81 VanDerWaalsContact CZ3-CD 3.49Å; W77-E81 WeakPolarHBondContact CZ3-OE1 3.34Å; W77-E81 WeakPolarHBondContact CZ3-OE2 3.45Å; W77-E81 WeakPolarHBondContact O-CG 3.31Å; W77-E81 PolarHBondContact O-N 3.24Å; W77-R93 VanDerWaalsContact CB-NH2 3.3Å; W77-H114 AromaticContact CE3-NE2 3.55Å
78	E	87.7	Confident	90.8	Very high	50 Å²	50	38.8 Å²	38.8	23%	0.234	20%	0.199	C	C	.	.	H	α-helix	trans	-55.7	-31.4	172.9	-49.9	89.5	154.1	0	0	112.6	F36 P76	F36-E78 HydrophobicContact CB-CG 4.45Å; F36-E78 HydrophobicContact CD1-CB 3.92Å; F36-E78 HydrophobicContact CD1-CG 4.47Å; F36-E78 HydrophobicContact CE1-CB 4.17Å; F36-E78 HydrophobicContact CG-CB 4.22Å; F36-E78 HydrophobicContact CG-CG 4.39Å; P76-E78 VanDerWaalsContact C-N 3.33Å; P76-E78 WeakPolarHBondContact CB-OE2 3.43Å
79	V	85.8	Confident	90.9	Very high	18 Å²	18	37.7 Å²	37.7	11%	0.109	19%	0.194	C	C	.	.	H	α-helix	trans	-76.8	-45.9	173.6	174.7	0	0	0	0	109.9	F36 I75 P76 W77 E81 S82 L83	F36-V79 HydrophobicContact CE1-CG2 4.35Å; F36-V79 HydrophobicContact CE2-CG2 3.97Å; F36-V79 HydrophobicContact CZ-CG2 3.48Å; F36-V79 VanDerWaalsContact CZ-CG2 3.48Å; I75-V79 HydrophobicContact CB-CB 4.36Å; I75-V79 HydrophobicContact CB-CG1 4.19Å; I75-V79 HydrophobicContact CD1-CG1 4.22Å; I75-V79 HydrophobicContact CG2-CG1 4.44Å; P76-V79 HydrophobicContact CB-CG2 4.14Å; P76-V79 HydrophobicContact CG-CG2 4.04Å; P76-V79 WeakPolarHBondContact O-CB 3.34Å; P76-V79 PolarHBondContact O-N 3.38Å; W77-V79 PolarHBondContact O-N 3.38Å; V79-E81 PolarHBondContact O-N 2.99Å; V79-S82 PolarHBondContact O-N 3.15Å; V79-S82 PolarHBondContact O-OG 3.26Å; V79-L83 HydrophobicContact CG1-CD1 3.93Å; V79-L83 HydrophobicContact CG1-CG 4.49Å; V79-L83 WeakPolarHBondContact O-CG 3.26Å; V79-L83 PolarHBondContact O-N 3.26Å
80	S	90.1	Very high	91.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-38.1	179	59.1	0	0	0	0	114	P76 W77 S82 L83 V84 R93 T105 H114	P76-S80 PolarHBondContact O-N 3.22Å; P76-S80 VanDerWaalsContact O-N 3.13Å; W77-S80 WeakPolarHBondContact CA-OG 3.45Å; W77-S80 WeakPolarHBondContact O-CA 3.32Å; W77-S80 PolarHBondContact O-N 2.93Å; W77-S80 PolarHBondContact O-OG 3.3Å; S80-S82 VanDerWaalsContact C-N 3.27Å; S80-S82 PolarHBondContact O-N 3.03Å; S80-L83 PolarHBondContact O-N 2.87Å; S80-V84 PolarHBondContact O-N 3.25Å; S80-R93 PolarHBondContact OG-NE 3.39Å; S80-T105 PolarHBondContact OG-OG1 3.17Å; S80-H114 PolarHBondContact OG-CE1 2.84Å
81	E	93	Very high	91.2	Very high	76 Å²	76	35.5 Å²	35.5	36%	0.355	18%	0.182	S	C	.	.	H	α-helix	trans	-61.1	-35.4	171.9	-65.5	-173.4	128.4	0	0	112.5	W77 V79 L83 A112	W77-E81 HydrophobicContact CE3-CG 4.19Å; W77-E81 VanDerWaalsContact CZ3-CD 3.49Å; W77-E81 WeakPolarHBondContact CZ3-OE1 3.34Å; W77-E81 WeakPolarHBondContact CZ3-OE2 3.45Å; W77-E81 WeakPolarHBondContact O-CG 3.31Å; W77-E81 PolarHBondContact O-N 3.24Å; V79-E81 PolarHBondContact O-N 2.99Å; E81-L83 PolarHBondContact O-N 3.23Å; E81-A112 HydrophobicContact CB-CB 4.14Å; E81-A112 HydrophobicContact CG-CB 3.81Å
82	S	87.6	Confident	91.2	Very high	45 Å²	45	34.3 Å²	34.3	32%	0.315	18%	0.177	S	C	.	.	H	α-helix	trans	-76.6	-10.5	179.6	77.3	0	0	0	0	114.1	V79 S80	V79-S82 PolarHBondContact O-N 3.15Å; V79-S82 PolarHBondContact O-OG 3.26Å; S80-S82 VanDerWaalsContact C-N 3.27Å; S80-S82 PolarHBondContact O-N 3.03Å
83	L	88.8	Confident	91.2	Very high	50 Å²	50	34.5 Å²	34.5	26%	0.262	18%	0.177	S	C	.	.	H	α-helix	trans	-102.1	-32.2	-177.7	-72	173.2	0	0	0	113	I75 V79 S80 E81 L91 V169	I75-L83 HydrophobicContact CD1-CD1 4.07Å; V79-L83 HydrophobicContact CG1-CD1 3.93Å; V79-L83 HydrophobicContact CG1-CG 4.49Å; V79-L83 WeakPolarHBondContact O-CG 3.26Å; V79-L83 PolarHBondContact O-N 3.26Å; S80-L83 PolarHBondContact O-N 2.87Å; E81-L83 PolarHBondContact O-N 3.23Å; L83-L91 HydrophobicContact CB-CD2 3.73Å; L83-L91 HydrophobicContact CD1-CD2 3.97Å; L83-V169 HydrophobicContact CB-CG1 4.19Å; L83-V169 WeakPolarHBondContact O-CG1 3.49Å
84	V	91.3	Very high	91.2	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	19%	0.187	C	C	.	.			trans	-87.1	117.4	173	-57.5	0	0	0	0	108.9	S80 D89 L91 T105 R107 A112 V169	S80-V84 PolarHBondContact O-N 3.25Å; V84-D89 HydrophobicContact CB-CB 4.02Å; V84-D89 HydrophobicContact CG1-CB 4.42Å; V84-L91 HydrophobicContact CG1-CD2 4.07Å; V84-L91 HydrophobicContact CG1-CG 4.12Å; V84-T105 HydrophobicContact CG1-CG2 4.41Å; V84-T105 HydrophobicContact CG2-CG2 4.08Å; V84-R107 HydrophobicContact CB-CB 4Å; V84-R107 HydrophobicContact CG2-CB 4.03Å; V84-R107 WeakPolarHBondContact O-CD 3.29Å; V84-A112 HydrophobicContact CG2-CB 4.39Å; V84-V169 HydrophobicContact CG1-CG2 4.14Å
85	V	88.6	Confident	91.1	Very high	92 Å²	92	35.6 Å²	35.6	56%	0.558	18%	0.182	S	C	*	.			trans	-120.1	-48.5	-165.9	178.6	0	0	0	0	111.8	D89 R107	V85-D89 PolarHBondContact N-OD2 2.96Å; V85-R107 PolarHBondContact O-NE 3.42Å; V85-R107 VanDerWaalsContact O-NE 3.1Å
86	N	90.7	Very high	90.6	Very high	96 Å²	96	41.5 Å²	41.5	51%	0.513	20%	0.204	S	C	.	.	S	Bend	trans	-96.7	152.7	-176.4	-41.6	-84	0	0	0	110.2	G88 D89 R107	N86-G88 PolarHBondContact O-N 3.08Å; N86-D89 PolarHBondContact N-OD2 3.33Å; N86-D89 PolarHBondContact ND2-OD2 3.02Å; N86-D89 WeakPolarHBondContact O-CB 3.38Å; N86-D89 VanDerWaalsContact O-CG 3.28Å; N86-D89 PolarHBondContact O-N 2.78Å; N86-R107 WeakPolarHBondContact O-CB 3.41Å; N86-R107 WeakPolarHBondContact O-CG 3.25Å
87	E	92.6	Very high	90	Very high	114 Å²	114	46.5 Å²	46.5	53%	0.533	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	133.5	177.4	-167.7	142	-118.2	0	0	112	D89 W108 E109	E87-D89 VanDerWaalsContact C-N 3.27Å; E87-D89 PolarHBondContact O-N 3.26Å; E87-W108 HydrophobicContact CG-CE3 4.13Å; E87-W108 HydrophobicContact CG-CZ3 4.34Å; E87-E109 WeakPolarHBondContact OE1-CA 3.36Å; E87-E109 PolarHBondContact OE1-N 2.93Å
88	G	91.1	Very high	89.5	Confident	4 Å²	4	44.2 Å²	44.2	4%	0.041	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-0.7	-173.6	0	0	0	0	0	115.5	N86 R107 N166 R167	N86-G88 PolarHBondContact O-N 3.08Å; G88-R107 PolarHBondContact N-O 3.23Å; G88-N166 PolarHBondContact O-N 3.4Å; G88-R167 PolarHBondContact O-N 3.4Å
89	D	96.9	Very high	88.8	Confident	11 Å²	11	50.4 Å²	50.4	6%	0.059	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	134.4	166.4	-77.7	-9.4	0	0	0	110	V84 V85 N86 E87 C106 R107 R167 V169	V84-D89 HydrophobicContact CB-CB 4.02Å; V84-D89 HydrophobicContact CG1-CB 4.42Å; V85-D89 PolarHBondContact N-OD2 2.96Å; N86-D89 PolarHBondContact N-OD2 3.33Å; N86-D89 PolarHBondContact ND2-OD2 3.02Å; N86-D89 WeakPolarHBondContact O-CB 3.38Å; N86-D89 VanDerWaalsContact O-CG 3.28Å; N86-D89 PolarHBondContact O-N 2.78Å; E87-D89 VanDerWaalsContact C-N 3.27Å; E87-D89 PolarHBondContact O-N 3.26Å; D89-C106 CarbonylContact O-C 3.58Å; D89-C106 WeakPolarHBondContact O-CA 3.17Å; D89-C106 VanDerWaalsContact O-CB 3.29Å; D89-C106 WeakPolarHBondContact O-CB 3.43Å; D89-R107 HydrophobicContact CB-CB 4.29Å; D89-R107 PolarHBondContact O-N 3.24Å; D89-R167 CarbonylContact C-O 3.51Å; D89-R167 WeakPolarHBondContact CA-O 3.48Å; D89-R167 WeakPolarHBondContact OD1-CB 3.32Å; D89-V169 HydrophobicContact CB-CG2 3.78Å
90	F	97.9	Very high	88.2	Confident	3 Å²	3	51.5 Å²	51.5	1%	0.013	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	156.6	176.7	79.6	-84.5	0	0	0	113.7	W70 T105 C106 V147 V151 I165 R167 P168 V169	W70-F90 HydrophobicContact CB-CE2 4.48Å; W70-F90 HydrophobicContact CG-CE2 4.42Å; F90-T105 CarbonylContact C-O 3.59Å; F90-T105 VanDerWaalsContact CA-O 3.26Å; F90-T105 WeakPolarHBondContact CA-O 3.31Å; F90-C106 HydrophobicContact CB-CB 3.75Å; F90-V147 HydrophobicContact CE2-CG1 3.61Å; F90-V147 HydrophobicContact CZ-CG1 3.69Å; F90-V151 HydrophobicContact CE1-CG2 3.62Å; F90-V151 HydrophobicContact CZ-CG2 3.67Å; F90-I165 HydrophobicContact CB-CB 4.07Å; F90-I165 HydrophobicContact CB-CG2 3.73Å; F90-I165 HydrophobicContact CD1-CB 3.75Å; F90-I165 HydrophobicContact CD1-CD1 4.36Å; F90-I165 HydrophobicContact CD1-CG2 4.38Å; F90-I165 HydrophobicContact CD2-CD1 4.24Å; F90-I165 HydrophobicContact CE1-CB 4.4Å; F90-I165 HydrophobicContact CE1-CD1 4.46Å; F90-I165 HydrophobicContact CE2-CD1 4.37Å; F90-I165 HydrophobicContact CG-CB 3.95Å; F90-I165 HydrophobicContact CG-CD1 4.24Å; F90-I165 HydrophobicContact CG-CG2 4.11Å; F90-I165 HydrophobicContact CZ-CD1 4.47Å; F90-R167 VanDerWaalsContact CD1-O 3.28Å; F90-R167 WeakPolarHBondContact CD1-O 3.49Å; F90-R167 PolarHBondContact N-O 2.93Å; F90-P168 HydrophobicContact CE1-CB 3.99Å; F90-P168 HydrophobicContact CZ-CB 3.86Å; F90-V169 PolarHBondContact O-N 3.42Å
91	L	97.3	Very high	87.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	165.8	167.4	67.2	81.2	0	0	0	111.5	I75 L83 V84 R93 T105 V169	I75-L91 HydrophobicContact CD1-CD1 4.06Å; I75-L91 HydrophobicContact CD1-CD2 4.41Å; L83-L91 HydrophobicContact CB-CD2 3.73Å; L83-L91 HydrophobicContact CD1-CD2 3.97Å; V84-L91 HydrophobicContact CG1-CD2 4.07Å; V84-L91 HydrophobicContact CG1-CG 4.12Å; L91-R93 HydrophobicContact CD1-CB 4.27Å; L91-R93 HydrophobicContact CD1-CG 4.32Å; L91-T105 PolarHBondContact N-O 2.79Å; L91-T105 PolarHBondContact O-N 3.41Å; L91-V169 HydrophobicContact CB-CB 4.38Å
92	F	96.5	Very high	87.9	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.3	175.9	-123.9	-96.5	0	0	0	110.1	W70 Y71 H72 F102 L104 I117 V143 L146 V147	W70-F92 HydrophobicContact CE3-CB 3.74Å; W70-F92 HydrophobicContact CE3-CG 4.41Å; W70-F92 HydrophobicContact CZ3-CB 3.79Å; W70-F92 HydrophobicContact CZ3-CD2 4.19Å; W70-F92 HydrophobicContact CZ3-CG 4.05Å; W70-F92 PolarHBondContact O-N 3.47Å; Y71-F92 WeakPolarHBondContact CA-O 3.3Å; Y71-F92 HydrophobicContact CD2-CB 4.35Å; H72-F92 PolarHBondContact N-O 3.04Å; F92-F102 HydrophobicContact CD1-CB 3.85Å; F92-F102 HydrophobicContact CD1-CG 4.27Å; F92-F102 HydrophobicContact CE1-CB 3.51Å; F92-F102 HydrophobicContact CE1-CD2 4.45Å; F92-F102 HydrophobicContact CE1-CG 4.03Å; F92-L104 HydrophobicContact CD2-CB 4Å; F92-L104 HydrophobicContact CD2-CD1 4.25Å; F92-L104 HydrophobicContact CD2-CG 4.21Å; F92-L104 HydrophobicContact CE2-CB 3.85Å; F92-L104 HydrophobicContact CE2-CD1 3.91Å; F92-L104 HydrophobicContact CE2-CG 4.22Å; F92-L104 HydrophobicContact CZ-CB 4.46Å; F92-I117 HydrophobicContact CE1-CG1 3.93Å; F92-I117 HydrophobicContact CE2-CG1 4.47Å; F92-I117 HydrophobicContact CZ-CD1 4.09Å; F92-I117 HydrophobicContact CZ-CG1 3.61Å; F92-V143 HydrophobicContact CD1-CG1 3.69Å; F92-V143 HydrophobicContact CD2-CG1 4.39Å; F92-V143 HydrophobicContact CE1-CB 4.24Å; F92-V143 HydrophobicContact CE1-CG1 3.31Å; F92-V143 HydrophobicContact CE1-CG2 3.88Å; F92-V143 HydrophobicContact CE2-CG1 4.07Å; F92-V143 HydrophobicContact CG-CG1 4.2Å; F92-V143 HydrophobicContact CZ-CB 4.41Å; F92-V143 HydrophobicContact CZ-CG1 3.51Å; F92-V143 HydrophobicContact CZ-CG2 4.24Å; F92-L146 HydrophobicContact CE2-CD2 4.22Å; F92-L146 HydrophobicContact CZ-CD2 4.38Å; F92-V147 HydrophobicContact CD2-CG2 3.74Å; F92-V147 HydrophobicContact CE2-CG2 3.55Å; F92-V147 HydrophobicContact CZ-CG2 4.49Å
93	R	94.6	Very high	88.3	Confident	13 Å²	13	47.3 Å²	47.3	5%	0.049	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	167.5	178.3	59.5	170.8	175.3	77.5	-0	111.6	G73 I75 W77 S80 L91 F102 V103 T105 H114	G73-R93 WeakPolarHBondContact O-CA 3.44Å; G73-R93 WeakPolarHBondContact O-CB 3.27Å; I75-R93 HydrophobicContact CD1-CB 4.36Å; I75-R93 HydrophobicContact CG1-CB 3.73Å; I75-R93 HydrophobicContact CG1-CG 4.45Å; W77-R93 VanDerWaalsContact CB-NH2 3.3Å; S80-R93 PolarHBondContact OG-NE 3.39Å; L91-R93 HydrophobicContact CD1-CB 4.27Å; L91-R93 HydrophobicContact CD1-CG 4.32Å; R93-F102 WeakPolarHBondContact O-CA 3.35Å; R93-V103 HydrophobicContact CG-CB 4.29Å; R93-V103 WeakPolarHBondContact CG-O 3.43Å; R93-V103 PolarHBondContact N-O 2.89Å; R93-V103 PolarHBondContact O-N 2.78Å; R93-T105 PolarHBondContact NE-OG1 3.38Å; R93-H114 PolarHBondContact NH2-ND1 2.75Å
94	D	91.9	Very high	88.6	Confident	38 Å²	38	44.9 Å²	44.9	20%	0.203	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	152.7	174.5	-62.9	-46.9	0	0	0	111.8	Y71 G73 P74 F102	Y71-D94 PolarHBondContact OH-OD1 3.4Å; Y71-D94 VanDerWaalsContact OH-OD1 3.1Å; G73-D94 WeakPolarHBondContact CA-OD2 3.46Å; G73-D94 PolarHBondContact O-N 2.9Å; P74-D94 WeakPolarHBondContact CD-OD2 3.2Å; P74-D94 VanDerWaalsContact N-OD2 3.1Å; D94-F102 WeakPolarHBondContact OD1-CD1 3.31Å; D94-F102 VanDerWaalsContact OD1-CE1 3.31Å; D94-F102 WeakPolarHBondContact OD1-CE1 3.27Å
95	S	87.8	Confident	88.9	Confident	8 Å²	8	44.8 Å²	44.8	6%	0.056	25%	0.248	C	C	.	.			trans	-85.3	119.1	173.5	-175.3	0	0	0	0	111.4	S97 S98 G101	S95-S97 PolarHBondContact O-N 3.39Å; S95-S97 PolarHBondContact OG-N 3.03Å; S95-S97 PolarHBondContact OG-OG 3.33Å; S95-S98 PolarHBondContact OG-N 3Å; S95-G101 VanDerWaalsContact CB-O 3.3Å; S95-G101 WeakPolarHBondContact CB-O 3.41Å; S95-G101 PolarHBondContact N-O 3.5Å
96	R	78.4	Confident	89.3	Confident	125 Å²	125	40.4 Å²	40.4	47%	0.472	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-11	172.3	-61.3	-175.2	71.4	-160.5	2.4	113.4
97	S	75.8	Confident	89.6	Confident	117 Å²	117	38.8 Å²	38.8	82%	0.818	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-7	178.9	57	0	0	0	0	114.2	S95	S95-S97 PolarHBondContact O-N 3.39Å; S95-S97 PolarHBondContact OG-N 3.03Å; S95-S97 PolarHBondContact OG-OG 3.33Å
98	S	76.1	Confident	89.6	Confident	67 Å²	67	35.2 Å²	35.2	47%	0.469	19%	0.19	S	C	.	.	S	Bend	trans	-144.9	110	-179.6	-174.9	0	0	0	0	110.6	S95 G100 G101	S95-S98 PolarHBondContact OG-N 3Å; S98-G100 PolarHBondContact O-N 3.4Å; S98-G101 PolarHBondContact O-N 3.07Å
99	Q	72	Confident	89.6	Confident	180 Å²	180	41.4 Å²	41.4	84%	0.841	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	118.3	-175.8	-172.1	176.3	7.4	0	0	111.1	G101	Q99-G101 PolarHBondContact O-N 2.76Å
100	G	73.3	Confident	89	Confident	40 Å²	40	48.7 Å²	48.7	41%	0.412	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	13.5	-176.6	0	0	0	0	0	114.9	S98 K119	S98-G100 PolarHBondContact O-N 3.4Å; G100-K119 VanDerWaalsContact O-CD 3.27Å; G100-K119 WeakPolarHBondContact O-CD 3.38Å; G100-K119 PolarHBondContact O-NZ 3.01Å; G100-K119 VanDerWaalsContact O-NZ 3.08Å
101	G	84.3	Confident	88.7	Confident	3 Å²	3	55 Å²	55	3%	0.031	28%	0.281	C	S	.	.			trans	-98	166	162.3	0	0	0	0	0	111.5	S95 S98 Q99	S95-G101 VanDerWaalsContact CB-O 3.3Å; S95-G101 WeakPolarHBondContact CB-O 3.41Å; S95-G101 PolarHBondContact N-O 3.5Å; S98-G101 PolarHBondContact O-N 3.07Å; Q99-G101 PolarHBondContact O-N 2.76Å
102	F	92.8	Very high	88.6	Confident	21 Å²	21	56 Å²	56	9%	0.092	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	163.4	-171.8	-58.9	-69.9	0	0	0	112.6	L65 Y71 F92 R93 D94 I117 Y133 V143	L65-F102 HydrophobicContact CD2-CD1 4.48Å; L65-F102 HydrophobicContact CD2-CE1 3.67Å; L65-F102 HydrophobicContact CD2-CE2 4.33Å; L65-F102 HydrophobicContact CD2-CZ 3.58Å; Y71-F102 HydrophobicContact CE2-CD1 4.11Å; Y71-F102 AromaticContact CE2-CE1 3.84Å; Y71-F102 HydrophobicContact CE2-CE1 3.84Å; F92-F102 HydrophobicContact CD1-CB 3.85Å; F92-F102 HydrophobicContact CD1-CG 4.27Å; F92-F102 HydrophobicContact CE1-CB 3.51Å; F92-F102 HydrophobicContact CE1-CD2 4.45Å; F92-F102 HydrophobicContact CE1-CG 4.03Å; R93-F102 WeakPolarHBondContact O-CA 3.35Å; D94-F102 WeakPolarHBondContact OD1-CD1 3.31Å; D94-F102 VanDerWaalsContact OD1-CE1 3.31Å; D94-F102 WeakPolarHBondContact OD1-CE1 3.27Å; F102-I117 HydrophobicContact CB-CB 4.32Å; F102-I117 HydrophobicContact CB-CG1 4.44Å; F102-I117 PolarHBondContact O-N 2.85Å; F102-Y133 HydrophobicContact CD2-CD1 4.22Å; F102-Y133 AromaticContact CD2-CE1 3.94Å; F102-Y133 HydrophobicContact CD2-CE1 3.94Å; F102-Y133 HydrophobicContact CE2-CD1 4.4Å; F102-Y133 AromaticContact CE2-CE1 3.7Å; F102-Y133 HydrophobicContact CE2-CE1 3.7Å; F102-V143 HydrophobicContact CD2-CG2 3.65Å; F102-V143 HydrophobicContact CE2-CG2 3.8Å; F102-V143 HydrophobicContact CG-CG2 4.47Å
103	V	95.2	Very high	88.6	Confident	9 Å²	9	57.9 Å²	57.9	6%	0.055	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.6	171.7	-177.4	0	0	0	0	109.1	R93 H114 F115	R93-V103 HydrophobicContact CG-CB 4.29Å; R93-V103 WeakPolarHBondContact CG-O 3.43Å; R93-V103 PolarHBondContact N-O 2.89Å; R93-V103 PolarHBondContact O-N 2.78Å; V103-H114 HydrophobicContact CG1-CB 3.96Å; V103-F115 WeakPolarHBondContact CA-O 3.16Å
104	L	96.2	Very high	88.6	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	133.9	163.2	-179	157.8	0	0	0	108	F92 C106 F115 I117 L157 I165	F92-L104 HydrophobicContact CD2-CB 4Å; F92-L104 HydrophobicContact CD2-CD1 4.25Å; F92-L104 HydrophobicContact CD2-CG 4.21Å; F92-L104 HydrophobicContact CE2-CB 3.85Å; F92-L104 HydrophobicContact CE2-CD1 3.91Å; F92-L104 HydrophobicContact CE2-CG 4.22Å; F92-L104 HydrophobicContact CZ-CB 4.46Å; L104-C106 HydrophobicContact CD2-CB 4.03Å; L104-F115 HydrophobicContact CB-CB 4.38Å; L104-F115 HydrophobicContact CD2-CD2 3.81Å; L104-F115 PolarHBondContact N-O 2.71Å; L104-F115 PolarHBondContact O-N 3.14Å; L104-I117 HydrophobicContact CB-CD1 4.09Å; L104-I117 HydrophobicContact CB-CG1 4.49Å; L104-L157 HydrophobicContact CD1-CD2 3.91Å; L104-L157 HydrophobicContact CD2-CD1 3.61Å; L104-L157 HydrophobicContact CD2-CD2 4.43Å; L104-I165 HydrophobicContact CD1-CD1 4.09Å; L104-I165 HydrophobicContact CD2-CG2 4.39Å
105	T	97.2	Very high	88.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.6	172.4	-59.7	0	0	0	0	108.8	S80 V84 F90 L91 R93 L113 H114	S80-T105 PolarHBondContact OG-OG1 3.17Å; V84-T105 HydrophobicContact CG1-CG2 4.41Å; V84-T105 HydrophobicContact CG2-CG2 4.08Å; F90-T105 CarbonylContact C-O 3.59Å; F90-T105 VanDerWaalsContact CA-O 3.26Å; F90-T105 WeakPolarHBondContact CA-O 3.31Å; L91-T105 PolarHBondContact N-O 2.79Å; L91-T105 PolarHBondContact O-N 3.41Å; R93-T105 PolarHBondContact NE-OG1 3.38Å; T105-L113 VanDerWaalsContact CA-O 3.32Å; T105-L113 WeakPolarHBondContact CA-O 3.36Å; T105-H114 VanDerWaalsContact CG2-CE1 3.4Å; T105-H114 WeakPolarHBondContact CG2-CE1 3.3Å; T105-H114 VanDerWaalsContact CG2-ND1 3.33Å; T105-H114 WeakPolarHBondContact CG2-ND1 3.49Å; T105-H114 PolarHBondContact OG1-ND1 3.5Å
106	C	96.9	Very high	88.9	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	169.1	175.5	74.3	0	0	0	0	112.6	D89 F90 L104 A112 L113 I165	D89-C106 CarbonylContact O-C 3.58Å; D89-C106 WeakPolarHBondContact O-CA 3.17Å; D89-C106 VanDerWaalsContact O-CB 3.29Å; D89-C106 WeakPolarHBondContact O-CB 3.43Å; F90-C106 HydrophobicContact CB-CB 3.75Å; L104-C106 HydrophobicContact CD2-CB 4.03Å; C106-A112 WeakPolarHBondContact O-CA 3.46Å; C106-L113 PolarHBondContact N-O 2.87Å; C106-L113 PolarHBondContact O-N 3.37Å; C106-I165 HydrophobicContact CB-CG2 3.8Å
107	R	96.2	Very high	89.5	Confident	61 Å²	61	57.4 Å²	57.4	23%	0.23	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.2	179	-171.2	81.9	172.6	131	14.9	109.7	V84 V85 N86 G88 D89 Q110 E111	V84-R107 HydrophobicContact CB-CB 4Å; V84-R107 HydrophobicContact CG2-CB 4.03Å; V84-R107 WeakPolarHBondContact O-CD 3.29Å; V85-R107 PolarHBondContact O-NE 3.42Å; V85-R107 VanDerWaalsContact O-NE 3.1Å; N86-R107 WeakPolarHBondContact O-CB 3.41Å; N86-R107 WeakPolarHBondContact O-CG 3.25Å; G88-R107 PolarHBondContact N-O 3.23Å; D89-R107 HydrophobicContact CB-CB 4.29Å; D89-R107 PolarHBondContact O-N 3.24Å; R107-Q110 VanDerWaalsContact NH1-C 3.31Å; R107-Q110 PolarHBondContact NH1-O 3.07Å; R107-Q110 PolarHBondContact NH2-O 3.29Å; R107-E111 WeakPolarHBondContact CA-O 3.49Å; R107-E111 WeakPolarHBondContact CD-O 3.26Å; R107-E111 VanDerWaalsContact NH1-C 3.27Å; R107-E111 PolarHBondContact NH1-O 2.98Å
108	W	94	Very high	90	Very high	40 Å²	40	60.8 Å²	60.8	15%	0.152	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	139.6	-177.4	-166.4	-97.6	0	0	0	110.4	E87 Q110 E111 L113 A163 Q164	E87-W108 HydrophobicContact CG-CE3 4.13Å; E87-W108 HydrophobicContact CG-CZ3 4.34Å; W108-Q110 PolarHBondContact O-N 3.16Å; W108-Q110 VanDerWaalsContact O-N 3.09Å; W108-E111 PolarHBondContact N-O 3.06Å; W108-E111 VanDerWaalsContact N-O 3.08Å; W108-E111 PolarHBondContact O-N 3.25Å; W108-L113 HydrophobicContact CB-CD1 3.96Å; W108-A163 HydrophobicContact CB-CB 3.83Å; W108-A163 HydrophobicContact CD2-CB 3.94Å; W108-A163 HydrophobicContact CE3-CB 4.49Å; W108-A163 HydrophobicContact CG-CB 3.59Å; W108-Q164 HydrophobicContact CE3-CB 4.5Å; W108-Q164 HydrophobicContact CH2-CB 3.79Å; W108-Q164 HydrophobicContact CH2-CG 4.02Å; W108-Q164 HydrophobicContact CZ3-CB 3.66Å; W108-Q164 HydrophobicContact CZ3-CG 4.38Å; W108-Q164 VanDerWaalsContact CZ3-N 3.34Å
109	E	90.1	Very high	90.5	Very high	134 Å²	134	62.1 Å²	62.1	63%	0.626	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	35.2	-179.4	-74.3	168.3	-143.9	0	0	113.2	E87 E111	E87-E109 WeakPolarHBondContact OE1-CA 3.36Å; E87-E109 PolarHBondContact OE1-N 2.93Å; E109-E111 PolarHBondContact O-N 3.01Å
110	Q	85.5	Confident	91	Very high	164 Å²	164	56.7 Å²	56.7	77%	0.766	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	10.6	-173.6	-48.6	-176.8	44.8	0	0	116.3	R107 W108	R107-Q110 VanDerWaalsContact NH1-C 3.31Å; R107-Q110 PolarHBondContact NH1-O 3.07Å; R107-Q110 PolarHBondContact NH2-O 3.29Å; W108-Q110 PolarHBondContact O-N 3.16Å; W108-Q110 VanDerWaalsContact O-N 3.09Å
111	E	91.7	Very high	91.4	Very high	134 Å²	134	59.4 Å²	59.4	63%	0.626	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	166.5	168.7	-60.7	-149.9	144.9	0	0	111.9	R107 W108 E109 L113	R107-E111 WeakPolarHBondContact CA-O 3.49Å; R107-E111 WeakPolarHBondContact CD-O 3.26Å; R107-E111 VanDerWaalsContact NH1-C 3.27Å; R107-E111 PolarHBondContact NH1-O 2.98Å; W108-E111 PolarHBondContact N-O 3.06Å; W108-E111 VanDerWaalsContact N-O 3.08Å; W108-E111 PolarHBondContact O-N 3.25Å; E109-E111 PolarHBondContact O-N 3.01Å; E111-L113 HydrophobicContact CB-CD2 4.41Å
112	A	94.7	Very high	91.1	Very high	22 Å²	22	62 Å²	62	18%	0.182	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.5	172.1	0	0	0	0	0	108.3	E81 V84 C106	E81-A112 HydrophobicContact CB-CB 4.14Å; E81-A112 HydrophobicContact CG-CB 3.81Å; V84-A112 HydrophobicContact CG2-CB 4.39Å; C106-A112 WeakPolarHBondContact O-CA 3.46Å
113	L	95.8	Very high	90.2	Very high	39 Å²	39	69 Å²	69	20%	0.204	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.6	-173.1	-59.2	-178.2	0	0	0	110.4	T105 C106 W108 E111 F115 A163	T105-L113 VanDerWaalsContact CA-O 3.32Å; T105-L113 WeakPolarHBondContact CA-O 3.36Å; C106-L113 PolarHBondContact N-O 2.87Å; C106-L113 PolarHBondContact O-N 3.37Å; W108-L113 HydrophobicContact CB-CD1 3.96Å; E111-L113 HydrophobicContact CB-CD2 4.41Å; L113-F115 HydrophobicContact CB-CD2 4.34Å; L113-F115 HydrophobicContact CB-CE2 3.44Å; L113-F115 VanDerWaalsContact CB-CE2 3.44Å; L113-F115 HydrophobicContact CB-CZ 3.8Å; L113-F115 HydrophobicContact CD1-CE2 4.3Å; L113-F115 HydrophobicContact CD1-CZ 3.96Å; L113-A163 HydrophobicContact CD1-CB 3.92Å
114	H	94.7	Very high	88.6	Confident	59 Å²	59	72 Å²	72	27%	0.273	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.6	-178.7	-62.8	-53.6	0	0	0	110.8	W77 S80 R93 V103 T105 P116	W77-H114 AromaticContact CE3-NE2 3.55Å; S80-H114 PolarHBondContact OG-CE1 2.84Å; R93-H114 PolarHBondContact NH2-ND1 2.75Å; V103-H114 HydrophobicContact CG1-CB 3.96Å; T105-H114 VanDerWaalsContact CG2-CE1 3.4Å; T105-H114 WeakPolarHBondContact CG2-CE1 3.3Å; T105-H114 VanDerWaalsContact CG2-ND1 3.33Å; T105-H114 WeakPolarHBondContact CG2-ND1 3.49Å; T105-H114 PolarHBondContact OG1-ND1 3.5Å; H114-P116 WeakPolarHBondContact O-CD 3.33Å
115	F	93.8	Very high	87.1	Confident	18 Å²	18	74.7 Å²	74.7	8%	0.079	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	104	-176.6	-60.2	-88.2	0	0	0	110.2	V103 L104 L113 I117 L135 L157 T158 A163	V103-F115 WeakPolarHBondContact CA-O 3.16Å; L104-F115 HydrophobicContact CB-CB 4.38Å; L104-F115 HydrophobicContact CD2-CD2 3.81Å; L104-F115 PolarHBondContact N-O 2.71Å; L104-F115 PolarHBondContact O-N 3.14Å; L113-F115 HydrophobicContact CB-CD2 4.34Å; L113-F115 HydrophobicContact CB-CE2 3.44Å; L113-F115 VanDerWaalsContact CB-CE2 3.44Å; L113-F115 HydrophobicContact CB-CZ 3.8Å; L113-F115 HydrophobicContact CD1-CE2 4.3Å; L113-F115 HydrophobicContact CD1-CZ 3.96Å; F115-I117 PolarHBondContact O-N 3.04Å; F115-L135 HydrophobicContact CB-CD1 4.05Å; F115-L135 HydrophobicContact CD1-CD1 4.4Å; F115-L157 HydrophobicContact CD1-CB 4.43Å; F115-L157 HydrophobicContact CD2-CD1 3.7Å; F115-L157 HydrophobicContact CE1-CB 4.17Å; F115-L157 HydrophobicContact CE2-CB 4.46Å; F115-L157 HydrophobicContact CE2-CD1 3.48Å; F115-L157 VanDerWaalsContact CE2-CD1 3.48Å; F115-L157 HydrophobicContact CG-CD1 4.34Å; F115-L157 HydrophobicContact CZ-CB 4.18Å; F115-L157 HydrophobicContact CZ-CD1 3.97Å; F115-T158 HydrophobicContact CD1-CG2 3.79Å; F115-T158 HydrophobicContact CE1-CG2 3.68Å; F115-A163 HydrophobicContact CZ-CB 4.1Å
116	P	92	Very high	85.4	Confident	90 Å²	90	84.3 Å²	84.3	58%	0.584	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	122.1	175.6	-18.8	32.7	0	0	0	110.8	H114	H114-P116 WeakPolarHBondContact O-CD 3.33Å
117	I	91.9	Very high	83.5	Confident	8 Å²	8	90.2 Å²	90.2	4%	0.041	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	119.9	-177	-53.2	-61.8	0	0	0	108.8	F92 F102 L104 F115 K119 Y133 L135 L146	F92-I117 HydrophobicContact CE1-CG1 3.93Å; F92-I117 HydrophobicContact CE2-CG1 4.47Å; F92-I117 HydrophobicContact CZ-CD1 4.09Å; F92-I117 HydrophobicContact CZ-CG1 3.61Å; F102-I117 HydrophobicContact CB-CB 4.32Å; F102-I117 HydrophobicContact CB-CG1 4.44Å; F102-I117 PolarHBondContact O-N 2.85Å; L104-I117 HydrophobicContact CB-CD1 4.09Å; L104-I117 HydrophobicContact CB-CG1 4.49Å; F115-I117 PolarHBondContact O-N 3.04Å; I117-K119 PolarHBondContact O-N 2.71Å; I117-Y133 HydrophobicContact CG2-CD1 4.38Å; I117-L135 HydrophobicContact CD1-CB 4.44Å; I117-L135 HydrophobicContact CD1-CD1 4.43Å; I117-L135 HydrophobicContact CD1-CD2 4.4Å; I117-L146 HydrophobicContact CD1-CD1 4.28Å; I117-L146 HydrophobicContact CG2-CD1 3.95Å
118	R	85.5	Confident	81.7	Confident	188 Å²	188	95.8 Å²	95.8	71%	0.709	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.9	-178.4	-67.6	-179	179.6	-177.7	1.4	109.2	Y133 S134	R118-Y133 CarbonylContact O-C 3.19Å; R118-Y133 WeakPolarHBondContact O-CA 3.23Å; R118-S134 PolarHBondContact N-O 2.67Å; R118-S134 PolarHBondContact O-N 2.82Å
119	K	86.1	Confident	80.6	Confident	95 Å²	95	97.8 Å²	97.8	41%	0.413	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	105.6	174.5	-175.6	-178.5	-173.8	176.6	0	109.3	G100 I117 A131 Q132 Y133	G100-K119 VanDerWaalsContact O-CD 3.27Å; G100-K119 WeakPolarHBondContact O-CD 3.38Å; G100-K119 PolarHBondContact O-NZ 3.01Å; G100-K119 VanDerWaalsContact O-NZ 3.08Å; I117-K119 PolarHBondContact O-N 2.71Å; K119-A131 HydrophobicContact CG-CB 4.38Å; K119-Q132 CarbonylContact C-O 3.6Å; K119-Q132 WeakPolarHBondContact CA-O 3.42Å; K119-Y133 HydrophobicContact CB-CD1 4.26Å; K119-Y133 HydrophobicContact CB-CE1 4.16Å; K119-Y133 HydrophobicContact CD-CE1 3.8Å; K119-Y133 WeakPolarHBondContact CE-OH 3.41Å; K119-Y133 HydrophobicContact CG-CD1 4.19Å; K119-Y133 HydrophobicContact CG-CE1 3.7Å
120	T	82.8	Confident	80.1	Confident	66 Å²	66	97.6 Å²	97.6	41%	0.405	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.2	176.6	38.5	0	0	0	0	109.9	A131 Q132	T120-A131 WeakPolarHBondContact O-CA 3.4Å; T120-Q132 PolarHBondContact N-O 3.47Å; T120-Q132 PolarHBondContact O-N 2.97Å
121	V	81.4	Confident	80	Confident	96 Å²	96	91.1 Å²	91.1	58%	0.582	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	108.7	172.1	-179.9	0	0	0	0	107.8
122	V	78.3	Confident	79.9	Confident	58 Å²	58	87.3 Å²	87.3	35%	0.352	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.6	176.7	-178.3	0	0	0	0	108.4	S129 R130	V122-S129 CarbonylContact O-C 3.58Å; V122-S129 WeakPolarHBondContact O-CA 3.35Å; V122-R130 PolarHBondContact N-O 3.31Å; V122-R130 PolarHBondContact O-N 3.17Å
123	Q	75.1	Confident	79.7	Confident	167 Å²	167	87.9 Å²	87.9	78%	0.78	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	129.8	169.7	-72.2	178.1	-23.4	0	0	109.2
124	S	61	Low	79.3	Confident	72 Å²	72	86.9 Å²	86.9	50%	0.503	45%	0.453	S	S	.	.			trans	-122.4	71	-178.4	-60	0	0	0	0	108.6	Y128	S124-Y128 PolarHBondContact N-O 2.89Å
125	G	64.2	Low	78.8	Confident	57 Å²	57	84.7 Å²	84.7	59%	0.588	44%	0.444	S	S	*	.	S	Bend	trans	88.3	179.7	-168.9	0	0	0	0	0	113.1	T127	G125-T127 VanDerWaalsContact C-N 3.27Å; G125-T127 PolarHBondContact O-N 3.12Å
126	E	62.2	Low	77.9	Confident	203 Å²	203	89 Å²	89	95%	0.949	46%	0.464	S	S	*	.	S	Bend	trans	-71.2	-17.7	-170.2	-59.5	-178.9	146.8	0	0	114.3
127	T	56	Low	76.8	Confident	124 Å²	124	87.7 Å²	87.7	76%	0.761	47%	0.467	S	S	*	.	S	Bend	trans	-121.6	-11.9	-170.7	48.7	0	0	0	0	115.1	G125	G125-T127 VanDerWaalsContact C-N 3.27Å; G125-T127 PolarHBondContact O-N 3.12Å
128	Y	59.1	Low	76.4	Confident	177 Å²	177	92.7 Å²	92.7	69%	0.694	49%	0.49	S	S	*	.			trans	-123.4	135.9	-177.8	-79.1	-90.8	0	0	0	112.1	S124	S124-Y128 PolarHBondContact N-O 2.89Å
129	S	71.1	Confident	76.5	Confident	82 Å²	82	86 Å²	86	57%	0.573	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.9	171.1	64.5	0	0	0	0	110.1	V122	V122-S129 CarbonylContact O-C 3.58Å; V122-S129 WeakPolarHBondContact O-CA 3.35Å
130	R	79.3	Confident	76.8	Confident	130 Å²	130	82.6 Å²	82.6	49%	0.491	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.2	-173.4	-161.9	176.2	-167.7	-152.5	-2.2	109.8	V122 D141	V122-R130 PolarHBondContact N-O 3.31Å; V122-R130 PolarHBondContact O-N 3.17Å; R130-D141 IonicContact CZ-OD1 3.3Å; R130-D141 VanDerWaalsContact CZ-OD1 3.3Å; R130-D141 IonicContact CZ-OD2 3.07Å; R130-D141 IonicContact NE-OD1 3.95Å; R130-D141 IonicContact NH1-OD1 2.91Å; R130-D141 PolarHBondContact NH1-OD1 3.48Å; R130-D141 IonicContact NH1-OD2 2.75Å; R130-D141 PolarHBondContact NH1-OD2 2.94Å; R130-D141 IonicContact NH2-OD1 3.65Å; R130-D141 IonicContact NH2-OD2 2.74Å; R130-D141 PolarHBondContact NH2-OD2 2.87Å
131	A	83.1	Confident	77.1	Confident	28 Å²	28	83 Å²	83	23%	0.231	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.9	172.7	0	0	0	0	0	109.9	K119 T120 Y133	K119-A131 HydrophobicContact CG-CB 4.38Å; T120-A131 WeakPolarHBondContact O-CA 3.4Å; A131-Y133 HydrophobicContact CB-CE2 4.29Å
132	Q	89.4	Confident	77.5	Confident	55 Å²	55	80.6 Å²	80.6	26%	0.257	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	151.9	166	-71.1	-175.6	-38.7	0	0	110	K119 T120 F140	K119-Q132 CarbonylContact C-O 3.6Å; K119-Q132 WeakPolarHBondContact CA-O 3.42Å; T120-Q132 PolarHBondContact N-O 3.47Å; T120-Q132 PolarHBondContact O-N 2.97Å; Q132-F140 CarbonylContact C-O 3.59Å; Q132-F140 WeakPolarHBondContact CA-O 3.27Å
133	Y	90.3	Very high	78.2	Confident	33 Å²	33	78.1 Å²	78.1	13%	0.129	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122	-178.4	-59.9	-85.4	0	0	0	108.7	F102 I117 R118 K119 A131 F140 V143	F102-Y133 HydrophobicContact CD2-CD1 4.22Å; F102-Y133 AromaticContact CD2-CE1 3.94Å; F102-Y133 HydrophobicContact CD2-CE1 3.94Å; F102-Y133 HydrophobicContact CE2-CD1 4.4Å; F102-Y133 AromaticContact CE2-CE1 3.7Å; F102-Y133 HydrophobicContact CE2-CE1 3.7Å; I117-Y133 HydrophobicContact CG2-CD1 4.38Å; R118-Y133 CarbonylContact O-C 3.19Å; R118-Y133 WeakPolarHBondContact O-CA 3.23Å; K119-Y133 HydrophobicContact CB-CD1 4.26Å; K119-Y133 HydrophobicContact CB-CE1 4.16Å; K119-Y133 HydrophobicContact CD-CE1 3.8Å; K119-Y133 WeakPolarHBondContact CE-OH 3.41Å; K119-Y133 HydrophobicContact CG-CD1 4.19Å; K119-Y133 HydrophobicContact CG-CE1 3.7Å; A131-Y133 HydrophobicContact CB-CE2 4.29Å; Y133-F140 PolarHBondContact N-O 2.86Å; Y133-F140 WeakPolarHBondContact O-CD2 3.28Å; Y133-F140 PolarHBondContact O-N 3.01Å; Y133-V143 HydrophobicContact CD1-CG2 3.7Å; Y133-V143 HydrophobicContact CD2-CG2 4.33Å; Y133-V143 HydrophobicContact CE1-CG2 4Å; Y133-V143 HydrophobicContact CG-CG2 3.88Å
134	S	88.3	Confident	79.1	Confident	18 Å²	18	71.4 Å²	71.4	13%	0.126	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	150.3	-173.6	54.4	0	0	0	0	114.5	R118 E138	R118-S134 PolarHBondContact N-O 2.67Å; R118-S134 PolarHBondContact O-N 2.82Å; S134-E138 WeakPolarHBondContact CA-O 3.32Å; S134-E138 WeakPolarHBondContact CB-O 3.37Å
135	L	85.1	Confident	80.5	Confident	13 Å²	13	69.8 Å²	69.8	7%	0.068	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	122.9	175.4	-177	62.7	0	0	0	108.3	F115 I117 G137 E138 Y150 L157 T158	F115-L135 HydrophobicContact CB-CD1 4.05Å; F115-L135 HydrophobicContact CD1-CD1 4.4Å; I117-L135 HydrophobicContact CD1-CB 4.44Å; I117-L135 HydrophobicContact CD1-CD1 4.43Å; I117-L135 HydrophobicContact CD1-CD2 4.4Å; L135-G137 PolarHBondContact O-N 3Å; L135-E138 PolarHBondContact N-O 2.94Å; L135-E138 PolarHBondContact O-N 3.27Å; L135-Y150 HydrophobicContact CB-CE2 4.4Å; L135-Y150 HydrophobicContact CD2-CE2 4.18Å; L135-Y150 PolarHBondContact O-OH 3.08Å; L135-L157 HydrophobicContact CD2-CB 4.04Å; L135-L157 HydrophobicContact CD2-CD2 3.7Å; L135-L157 HydrophobicContact CD2-CG 4.45Å; L135-L157 WeakPolarHBondContact CD2-O 3.28Å; L135-L157 WeakPolarHBondContact CG-O 3.27Å; L135-T158 HydrophobicContact CD1-CG2 4.5Å
136	E	74.5	Confident	81.9	Confident	109 Å²	109	67.1 Å²	67.1	51%	0.509	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	-13	-172.3	-95.2	-169.4	-175.2	0	0	120.9	T158 L159	E136-T158 VanDerWaalsContact CD-CG2 3.5Å; E136-T158 HydrophobicContact CG-CG2 3.89Å; E136-T158 WeakPolarHBondContact OE1-CB 3.48Å; E136-T158 WeakPolarHBondContact OE2-CA 3.38Å; E136-T158 VanDerWaalsContact OE2-CB 3.27Å; E136-T158 WeakPolarHBondContact OE2-CB 3.38Å; E136-L159 PolarHBondContact OE2-N 3.15Å
137	G	68.8	Low	83.4	Confident	63 Å²	63	57.8 Å²	57.8	65%	0.649	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	172.2	-39.7	171.2	0	0	0	0	0	113	L135	L135-G137 PolarHBondContact O-N 3Å
138	E	82.9	Confident	85.1	Confident	113 Å²	113	58.9 Å²	58.9	53%	0.528	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	137	178.4	-65.1	-54.7	138.1	0	0	111.6	S134 L135 F140	S134-E138 WeakPolarHBondContact CA-O 3.32Å; S134-E138 WeakPolarHBondContact CB-O 3.37Å; L135-E138 PolarHBondContact N-O 2.94Å; L135-E138 PolarHBondContact O-N 3.27Å; E138-F140 HydrophobicContact CB-CE2 3.56Å; E138-F140 HydrophobicContact CB-CZ 3.67Å
139	A	88.9	Confident	86.8	Confident	47 Å²	47	54.3 Å²	54.3	39%	0.388	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.5	-174	0	0	0	0	0	111.4
140	F	91.8	Very high	87.8	Confident	23 Å²	23	50.9 Å²	50.9	10%	0.101	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.2	-172	-57.4	-86.4	0	0	0	111.8	Q132 Y133 E138 S142 A145 L146 F149 Y150	Q132-F140 CarbonylContact C-O 3.59Å; Q132-F140 WeakPolarHBondContact CA-O 3.27Å; Y133-F140 PolarHBondContact N-O 2.86Å; Y133-F140 WeakPolarHBondContact O-CD2 3.28Å; Y133-F140 PolarHBondContact O-N 3.01Å; E138-F140 HydrophobicContact CB-CE2 3.56Å; E138-F140 HydrophobicContact CB-CZ 3.67Å; F140-S142 PolarHBondContact O-N 3.27Å; F140-A145 HydrophobicContact CB-CB 4.42Å; F140-L146 HydrophobicContact CB-CB 3.96Å; F140-L146 HydrophobicContact CD1-CB 4.43Å; F140-L146 HydrophobicContact CD2-CB 3.61Å; F140-L146 HydrophobicContact CD2-CD1 3.79Å; F140-L146 HydrophobicContact CD2-CG 3.62Å; F140-L146 HydrophobicContact CE2-CB 4.23Å; F140-L146 HydrophobicContact CE2-CD1 4.3Å; F140-L146 HydrophobicContact CE2-CG 3.9Å; F140-L146 HydrophobicContact CG-CB 3.73Å; F140-L146 HydrophobicContact CG-CG 4.27Å; F140-F149 HydrophobicContact CD1-CB 4.33Å; F140-F149 HydrophobicContact CE1-CB 3.45Å; F140-F149 VanDerWaalsContact CE1-CB 3.45Å; F140-F149 AromaticContact CE1-CD1 3.91Å; F140-F149 HydrophobicContact CE1-CD1 3.91Å; F140-F149 HydrophobicContact CE1-CD2 4.1Å; F140-F149 AromaticContact CE1-CG 3.55Å; F140-F149 HydrophobicContact CE1-CG 3.55Å; F140-F149 HydrophobicContact CZ-CB 3.86Å; F140-F149 AromaticContact CZ-CD1 3.48Å; F140-F149 HydrophobicContact CZ-CD1 3.48Å; F140-F149 VanDerWaalsContact CZ-CD1 3.48Å; F140-F149 HydrophobicContact CZ-CD2 4.42Å; F140-F149 HydrophobicContact CZ-CE1 4.11Å; F140-F149 AromaticContact CZ-CG 3.66Å; F140-F149 HydrophobicContact CZ-CG 3.66Å; F140-Y150 AromaticContact CE2-CE2 3.95Å; F140-Y150 HydrophobicContact CE2-CE2 3.95Å; F140-Y150 HydrophobicContact CZ-CE2 4.22Å
141	D	88.7	Confident	88.5	Confident	76 Å²	76	46.7 Å²	46.7	41%	0.406	27%	0.267	S	S	.	.	S	Bend	trans	-68.4	-14.4	178.7	-74.8	-18.6	0	0	0	114.3	R130	R130-D141 IonicContact CZ-OD1 3.3Å; R130-D141 VanDerWaalsContact CZ-OD1 3.3Å; R130-D141 IonicContact CZ-OD2 3.07Å; R130-D141 IonicContact NE-OD1 3.95Å; R130-D141 IonicContact NH1-OD1 2.91Å; R130-D141 PolarHBondContact NH1-OD1 3.48Å; R130-D141 IonicContact NH1-OD2 2.75Å; R130-D141 PolarHBondContact NH1-OD2 2.94Å; R130-D141 IonicContact NH2-OD1 3.65Å; R130-D141 IonicContact NH2-OD2 2.74Å; R130-D141 PolarHBondContact NH2-OD2 2.87Å
142	S	90.4	Very high	88.8	Confident	44 Å²	44	48.4 Å²	48.4	31%	0.308	29%	0.287	S	S	.	.	S	Bend	trans	-157.8	158.3	176.3	72.8	0	0	0	0	111.9	F140 A145 L146	F140-S142 PolarHBondContact O-N 3.27Å; S142-A145 PolarHBondContact O-N 3.12Å; S142-A145 WeakPolarHBondContact OG-CB 3.19Å; S142-A145 PolarHBondContact OG-N 2.96Å; S142-L146 PolarHBondContact O-N 2.78Å; S142-L146 VanDerWaalsContact O-N 3.13Å
143	V	92.2	Very high	88.8	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.036	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-43.8	173.6	163.3	0	0	0	0	112.8	L65 W70 F92 F102 Y133 A145 L146 V147	L65-V143 HydrophobicContact CD1-CB 4.26Å; L65-V143 HydrophobicContact CD1-CG1 3.77Å; W70-V143 HydrophobicContact CH2-CG1 3.95Å; W70-V143 HydrophobicContact CZ3-CG1 3.98Å; F92-V143 HydrophobicContact CD1-CG1 3.69Å; F92-V143 HydrophobicContact CD2-CG1 4.39Å; F92-V143 HydrophobicContact CE1-CB 4.24Å; F92-V143 HydrophobicContact CE1-CG1 3.31Å; F92-V143 HydrophobicContact CE1-CG2 3.88Å; F92-V143 HydrophobicContact CE2-CG1 4.07Å; F92-V143 HydrophobicContact CG-CG1 4.2Å; F92-V143 HydrophobicContact CZ-CB 4.41Å; F92-V143 HydrophobicContact CZ-CG1 3.51Å; F92-V143 HydrophobicContact CZ-CG2 4.24Å; F102-V143 HydrophobicContact CD2-CG2 3.65Å; F102-V143 HydrophobicContact CE2-CG2 3.8Å; F102-V143 HydrophobicContact CG-CG2 4.47Å; Y133-V143 HydrophobicContact CD1-CG2 3.7Å; Y133-V143 HydrophobicContact CD2-CG2 4.33Å; Y133-V143 HydrophobicContact CE1-CG2 4Å; Y133-V143 HydrophobicContact CG-CG2 3.88Å; V143-A145 VanDerWaalsContact C-N 3.3Å; V143-A145 PolarHBondContact O-N 2.7Å; V143-L146 WeakPolarHBondContact O-CB 3.49Å; V143-L146 PolarHBondContact O-N 2.99Å; V143-V147 PolarHBondContact O-N 2.78Å
144	P	93.3	Very high	88.7	Confident	26 Å²	26	50.1 Å²	50.1	17%	0.169	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-34.8	172.7	-27.9	37.4	0	0	0	114.2	L65 H68 W70 V147 H148	L65-P144 HydrophobicContact CD1-CG 4.35Å; H68-P144 WeakPolarHBondContact NE2-CG 3.28Å; W70-P144 HydrophobicContact CH2-CB 4.46Å; W70-P144 HydrophobicContact CH2-CG 4.22Å; W70-P144 HydrophobicContact CZ2-CB 4.36Å; W70-P144 HydrophobicContact CZ2-CG 4.46Å; P144-V147 PolarHBondContact O-N 3.04Å; P144-H148 VanDerWaalsContact O-CB 3.28Å; P144-H148 WeakPolarHBondContact O-CB 3.38Å; P144-H148 PolarHBondContact O-N 2.78Å
145	A	90.9	Very high	88.7	Confident	39 Å²	39	50.7 Å²	50.7	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-67.3	-40.4	175.8	0	0	0	0	0	112.3	F140 S142 V143 H148 F149	F140-A145 HydrophobicContact CB-CB 4.42Å; S142-A145 PolarHBondContact O-N 3.12Å; S142-A145 WeakPolarHBondContact OG-CB 3.19Å; S142-A145 PolarHBondContact OG-N 2.96Å; V143-A145 VanDerWaalsContact C-N 3.3Å; V143-A145 PolarHBondContact O-N 2.7Å; A145-H148 PolarHBondContact O-N 2.78Å; A145-F149 WeakPolarHBondContact O-CB 3.44Å; A145-F149 PolarHBondContact O-N 3.03Å
146	L	94	Very high	89	Confident	0 Å²	0	52 Å²	52	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.6	-50.6	172.1	-175.8	158.6	0	0	0	110.8	F92 I117 F140 S142 V143 H148 F149 Y150	F92-L146 HydrophobicContact CE2-CD2 4.22Å; F92-L146 HydrophobicContact CZ-CD2 4.38Å; I117-L146 HydrophobicContact CD1-CD1 4.28Å; I117-L146 HydrophobicContact CG2-CD1 3.95Å; F140-L146 HydrophobicContact CB-CB 3.96Å; F140-L146 HydrophobicContact CD1-CB 4.43Å; F140-L146 HydrophobicContact CD2-CB 3.61Å; F140-L146 HydrophobicContact CD2-CD1 3.79Å; F140-L146 HydrophobicContact CD2-CG 3.62Å; F140-L146 HydrophobicContact CE2-CB 4.23Å; F140-L146 HydrophobicContact CE2-CD1 4.3Å; F140-L146 HydrophobicContact CE2-CG 3.9Å; F140-L146 HydrophobicContact CG-CB 3.73Å; F140-L146 HydrophobicContact CG-CG 4.27Å; S142-L146 PolarHBondContact O-N 2.78Å; S142-L146 VanDerWaalsContact O-N 3.13Å; V143-L146 WeakPolarHBondContact O-CB 3.49Å; V143-L146 PolarHBondContact O-N 2.99Å; L146-H148 PolarHBondContact O-N 3.45Å; L146-F149 PolarHBondContact O-N 3.25Å; L146-Y150 HydrophobicContact CD2-CD2 3.8Å; L146-Y150 HydrophobicContact CD2-CE2 4.1Å; L146-Y150 HydrophobicContact CG-CD2 4.08Å; L146-Y150 HydrophobicContact CG-CE2 4.05Å; L146-Y150 WeakPolarHBondContact O-CD2 3.48Å; L146-Y150 PolarHBondContact O-N 3.25Å; L146-Y150 VanDerWaalsContact O-N 3.09Å
147	V	93.9	Very high	89.7	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-45.1	179.4	172.1	0	0	0	0	111.4	W70 F90 F92 V143 P144 F149 Y150 V151	W70-V147 HydrophobicContact CE3-CG2 4.46Å; W70-V147 HydrophobicContact CH2-CB 4.15Å; W70-V147 HydrophobicContact CH2-CG1 4.48Å; W70-V147 HydrophobicContact CH2-CG2 3.76Å; W70-V147 HydrophobicContact CZ2-CB 4.05Å; W70-V147 HydrophobicContact CZ2-CG1 4.02Å; W70-V147 HydrophobicContact CZ2-CG2 4.13Å; W70-V147 HydrophobicContact CZ3-CG2 3.94Å; F90-V147 HydrophobicContact CE2-CG1 3.61Å; F90-V147 HydrophobicContact CZ-CG1 3.69Å; F92-V147 HydrophobicContact CD2-CG2 3.74Å; F92-V147 HydrophobicContact CE2-CG2 3.55Å; F92-V147 HydrophobicContact CZ-CG2 4.49Å; V143-V147 PolarHBondContact O-N 2.78Å; P144-V147 PolarHBondContact O-N 3.04Å; V147-F149 VanDerWaalsContact C-N 3.31Å; V147-F149 PolarHBondContact O-N 2.96Å; V147-Y150 PolarHBondContact O-N 2.94Å; V147-V151 HydrophobicContact CG1-CG2 4.19Å; V147-V151 WeakPolarHBondContact O-CB 3.39Å; V147-V151 WeakPolarHBondContact O-CG2 3.26Å; V147-V151 PolarHBondContact O-N 3.38Å
148	H	92.4	Very high	90.7	Very high	148 Å²	148	44.6 Å²	44.6	69%	0.685	27%	0.272	S	S	*	.	H	α-helix	trans	-62.1	-37.7	177.7	-172.5	-70.1	0	0	0	112.2	P144 A145 L146 G152	P144-H148 VanDerWaalsContact O-CB 3.28Å; P144-H148 WeakPolarHBondContact O-CB 3.38Å; P144-H148 PolarHBondContact O-N 2.78Å; A145-H148 PolarHBondContact O-N 2.78Å; L146-H148 PolarHBondContact O-N 3.45Å; H148-G152 WeakPolarHBondContact O-CA 3.17Å; H148-G152 PolarHBondContact O-N 3.2Å
149	F	93.3	Very high	90.7	Very high	80 Å²	80	46.1 Å²	46.1	35%	0.351	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-55.2	175.3	175.4	-94.3	0	0	0	111.8	F140 A145 L146 V147 V151 G152 S153 A155	F140-F149 HydrophobicContact CD1-CB 4.33Å; F140-F149 HydrophobicContact CE1-CB 3.45Å; F140-F149 VanDerWaalsContact CE1-CB 3.45Å; F140-F149 AromaticContact CE1-CD1 3.91Å; F140-F149 HydrophobicContact CE1-CD1 3.91Å; F140-F149 HydrophobicContact CE1-CD2 4.1Å; F140-F149 AromaticContact CE1-CG 3.55Å; F140-F149 HydrophobicContact CE1-CG 3.55Å; F140-F149 HydrophobicContact CZ-CB 3.86Å; F140-F149 AromaticContact CZ-CD1 3.48Å; F140-F149 HydrophobicContact CZ-CD1 3.48Å; F140-F149 VanDerWaalsContact CZ-CD1 3.48Å; F140-F149 HydrophobicContact CZ-CD2 4.42Å; F140-F149 HydrophobicContact CZ-CE1 4.11Å; F140-F149 AromaticContact CZ-CG 3.66Å; F140-F149 HydrophobicContact CZ-CG 3.66Å; A145-F149 WeakPolarHBondContact O-CB 3.44Å; A145-F149 PolarHBondContact O-N 3.03Å; L146-F149 PolarHBondContact O-N 3.25Å; V147-F149 VanDerWaalsContact C-N 3.31Å; V147-F149 PolarHBondContact O-N 2.96Å; F149-V151 PolarHBondContact O-N 3.11Å; F149-G152 PolarHBondContact O-N 2.92Å; F149-S153 VanDerWaalsContact O-CB 3.28Å; F149-S153 WeakPolarHBondContact O-CB 3.3Å; F149-S153 PolarHBondContact O-N 3.29Å; F149-S153 PolarHBondContact O-OG 3.18Å; F149-A155 HydrophobicContact CE1-CB 4.1Å
150	Y	93.6	Very high	90.4	Very high	10 Å²	10	54.9 Å²	54.9	4%	0.039	31%	0.305	C	S	.	.	H	α-helix	trans	-67.4	-37.6	-175.6	-78.3	-75.6	0	0	0	112.8	L135 F140 L146 V147 Q154 A155 A156 L157	L135-Y150 HydrophobicContact CB-CE2 4.4Å; L135-Y150 HydrophobicContact CD2-CE2 4.18Å; L135-Y150 PolarHBondContact O-OH 3.08Å; F140-Y150 AromaticContact CE2-CE2 3.95Å; F140-Y150 HydrophobicContact CE2-CE2 3.95Å; F140-Y150 HydrophobicContact CZ-CE2 4.22Å; L146-Y150 HydrophobicContact CD2-CD2 3.8Å; L146-Y150 HydrophobicContact CD2-CE2 4.1Å; L146-Y150 HydrophobicContact CG-CD2 4.08Å; L146-Y150 HydrophobicContact CG-CE2 4.05Å; L146-Y150 WeakPolarHBondContact O-CD2 3.48Å; L146-Y150 PolarHBondContact O-N 3.25Å; L146-Y150 VanDerWaalsContact O-N 3.09Å; V147-Y150 PolarHBondContact O-N 2.94Å; Y150-Q154 WeakPolarHBondContact O-CA 3.46Å; Y150-Q154 PolarHBondContact O-N 2.9Å; Y150-Q154 VanDerWaalsContact O-N 3.13Å; Y150-A155 HydrophobicContact CD1-CB 3.93Å; Y150-A155 HydrophobicContact CE1-CB 4.15Å; Y150-A156 WeakPolarHBondContact CE1-O 3.48Å; Y150-L157 HydrophobicContact CD1-CD2 4.01Å; Y150-L157 HydrophobicContact CD2-CD2 4.34Å; Y150-L157 HydrophobicContact CE1-CD2 4.42Å; Y150-L157 HydrophobicContact CG-CD2 3.97Å
151	V	93.6	Very high	90.2	Very high	43 Å²	43	55.1 Å²	55.1	26%	0.261	31%	0.31	S	S	.	.	H	α-helix	trans	-69.1	-44.8	173.4	177.2	0	0	0	0	111.2	F90 V147 F149 Q154 I165	F90-V151 HydrophobicContact CE1-CG2 3.62Å; F90-V151 HydrophobicContact CZ-CG2 3.67Å; V147-V151 HydrophobicContact CG1-CG2 4.19Å; V147-V151 WeakPolarHBondContact O-CB 3.39Å; V147-V151 WeakPolarHBondContact O-CG2 3.26Å; V147-V151 PolarHBondContact O-N 3.38Å; F149-V151 PolarHBondContact O-N 3.11Å; V151-Q154 PolarHBondContact O-NE2 3.49Å; V151-I165 HydrophobicContact CG2-CD1 3.67Å; V151-I165 HydrophobicContact CG2-CG1 3.82Å
152	G	88.8	Confident	90.2	Very high	64 Å²	64	60.3 Å²	60.3	66%	0.66	32%	0.324	S	S	*	.	H	α-helix	trans	-72.8	-31.5	-176	0	0	0	0	0	114.7	H148 F149	H148-G152 WeakPolarHBondContact O-CA 3.17Å; H148-G152 PolarHBondContact O-N 3.2Å; F149-G152 PolarHBondContact O-N 2.92Å
153	S	89.1	Confident	90.3	Very high	59 Å²	59	58.2 Å²	58.2	41%	0.413	31%	0.309	S	S	.	.	H	α-helix	trans	-91.7	-16.9	178.7	62.7	0	0	0	0	114.1	F149 A155	F149-S153 VanDerWaalsContact O-CB 3.28Å; F149-S153 WeakPolarHBondContact O-CB 3.3Å; F149-S153 PolarHBondContact O-N 3.29Å; F149-S153 PolarHBondContact O-OG 3.18Å; S153-A155 PolarHBondContact O-N 3.35Å; S153-A155 VanDerWaalsContact OG-CB 3.27Å; S153-A155 WeakPolarHBondContact OG-CB 3.15Å; S153-A155 PolarHBondContact OG-N 3.46Å; S153-A155 VanDerWaalsContact OG-N 3.13Å
154	Q	88.3	Confident	90.4	Very high	64 Å²	64	61.3 Å²	61.3	30%	0.299	32%	0.323	S	S	.	.			trans	51.1	29.2	-163.9	-62.2	-66.3	-81.9	0	0	112.9	Y150 V151 Q164 I165 N166	Y150-Q154 WeakPolarHBondContact O-CA 3.46Å; Y150-Q154 PolarHBondContact O-N 2.9Å; Y150-Q154 VanDerWaalsContact O-N 3.13Å; V151-Q154 PolarHBondContact O-NE2 3.49Å; Q154-Q164 PolarHBondContact O-NE2 2.87Å; Q154-I165 PolarHBondContact NE2-O 3.48Å; Q154-N166 PolarHBondContact OE1-ND2 2.73Å
155	A	88.6	Confident	90.5	Very high	30 Å²	30	60.1 Å²	60.1	25%	0.248	32%	0.315	C	S	.	.			trans	-63.4	147.4	172.5	0	0	0	0	0	111.3	F149 Y150 S153	F149-A155 HydrophobicContact CE1-CB 4.1Å; Y150-A155 HydrophobicContact CD1-CB 3.93Å; Y150-A155 HydrophobicContact CE1-CB 4.15Å; S153-A155 PolarHBondContact O-N 3.35Å; S153-A155 VanDerWaalsContact OG-CB 3.27Å; S153-A155 WeakPolarHBondContact OG-CB 3.15Å; S153-A155 PolarHBondContact OG-N 3.46Å; S153-A155 VanDerWaalsContact OG-N 3.13Å
156	A	91.5	Very high	90.5	Very high	42 Å²	42	62 Å²	62	35%	0.347	32%	0.32	S	S	.	.			trans	-67.7	132.4	172.4	0	0	0	0	0	111	Y150 T158	Y150-A156 WeakPolarHBondContact CE1-O 3.48Å; A156-T158 VanDerWaalsContact C-N 3.28Å; A156-T158 PolarHBondContact O-N 2.94Å
157	L	89.8	Confident	90.5	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	-58.8	-37.9	176	-70.7	177.4	0	0	0	112.5	L104 F115 L135 Y150 A163 I165	L104-L157 HydrophobicContact CD1-CD2 3.91Å; L104-L157 HydrophobicContact CD2-CD1 3.61Å; L104-L157 HydrophobicContact CD2-CD2 4.43Å; F115-L157 HydrophobicContact CD1-CB 4.43Å; F115-L157 HydrophobicContact CD2-CD1 3.7Å; F115-L157 HydrophobicContact CE1-CB 4.17Å; F115-L157 HydrophobicContact CE2-CB 4.46Å; F115-L157 HydrophobicContact CE2-CD1 3.48Å; F115-L157 VanDerWaalsContact CE2-CD1 3.48Å; F115-L157 HydrophobicContact CG-CD1 4.34Å; F115-L157 HydrophobicContact CZ-CB 4.18Å; F115-L157 HydrophobicContact CZ-CD1 3.97Å; L135-L157 HydrophobicContact CD2-CB 4.04Å; L135-L157 HydrophobicContact CD2-CD2 3.7Å; L135-L157 HydrophobicContact CD2-CG 4.45Å; L135-L157 WeakPolarHBondContact CD2-O 3.28Å; L135-L157 WeakPolarHBondContact CG-O 3.27Å; Y150-L157 HydrophobicContact CD1-CD2 4.01Å; Y150-L157 HydrophobicContact CD2-CD2 4.34Å; Y150-L157 HydrophobicContact CE1-CD2 4.42Å; Y150-L157 HydrophobicContact CG-CD2 3.97Å; L157-A163 WeakPolarHBondContact CB-O 3.45Å; L157-A163 HydrophobicContact CD1-CB 4.36Å; L157-A163 WeakPolarHBondContact CG-O 3.42Å; L157-A163 PolarHBondContact N-O 3.08Å; L157-I165 HydrophobicContact CD1-CG2 3.71Å; L157-I165 HydrophobicContact CD2-CD1 4.36Å; L157-I165 HydrophobicContact CD2-CG1 4.46Å; L157-I165 HydrophobicContact CD2-CG2 4.29Å; L157-I165 HydrophobicContact CG-CG2 4.19Å
158	T	87.9	Confident	90.6	Very high	16 Å²	16	71.5 Å²	71.5	10%	0.098	36%	0.363	C	S	.	.			trans	-143.5	150.5	169.2	63.7	0	0	0	0	111.6	F115 L135 E136 A156 W160 S161 R162	F115-T158 HydrophobicContact CD1-CG2 3.79Å; F115-T158 HydrophobicContact CE1-CG2 3.68Å; L135-T158 HydrophobicContact CD1-CG2 4.5Å; E136-T158 VanDerWaalsContact CD-CG2 3.5Å; E136-T158 HydrophobicContact CG-CG2 3.89Å; E136-T158 WeakPolarHBondContact OE1-CB 3.48Å; E136-T158 WeakPolarHBondContact OE2-CA 3.38Å; E136-T158 VanDerWaalsContact OE2-CB 3.27Å; E136-T158 WeakPolarHBondContact OE2-CB 3.38Å; A156-T158 VanDerWaalsContact C-N 3.28Å; A156-T158 PolarHBondContact O-N 2.94Å; T158-W160 PolarHBondContact O-N 3.39Å; T158-S161 PolarHBondContact O-N 3.05Å; T158-S161 WeakPolarHBondContact OG1-CB 3.44Å; T158-S161 PolarHBondContact OG1-N 2.83Å; T158-S161 VanDerWaalsContact OG1-N 3.12Å; T158-S161 PolarHBondContact OG1-OG 2.73Å; T158-R162 WeakPolarHBondContact O-CA 3.43Å; T158-R162 PolarHBondContact O-N 2.69Å
159	L	84.1	Confident	90.8	Very high	144 Å²	144	65.5 Å²	65.5	75%	0.754	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.1	175.1	-66.2	174.2	0	0	0	112.4	E136	E136-L159 PolarHBondContact OE2-N 3.15Å
160	W	81.8	Confident	90.8	Very high	231 Å²	231	66 Å²	66	88%	0.875	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-44.9	-179	-72.1	95.2	0	0	0	113.8	T158	T158-W160 PolarHBondContact O-N 3.39Å
161	S	87.6	Confident	90.7	Very high	28 Å²	28	66.1 Å²	66.1	20%	0.196	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-24.7	-179.3	68	0	0	0	0	113.1	T158 A163	T158-S161 PolarHBondContact O-N 3.05Å; T158-S161 WeakPolarHBondContact OG1-CB 3.44Å; T158-S161 PolarHBondContact OG1-N 2.83Å; T158-S161 VanDerWaalsContact OG1-N 3.12Å; T158-S161 PolarHBondContact OG1-OG 2.73Å; S161-A163 PolarHBondContact O-N 2.84Å; S161-A163 WeakPolarHBondContact OG-CB 3.22Å; S161-A163 PolarHBondContact OG-N 3.16Å
162	R	90.2	Very high	90.4	Very high	185 Å²	185	69.1 Å²	69.1	70%	0.698	36%	0.362	S	S	*	.			trans	54.3	9	-168	-60.8	-174.3	174.2	-167.5	-2.6	115	T158 Q164	T158-R162 WeakPolarHBondContact O-CA 3.43Å; T158-R162 PolarHBondContact O-N 2.69Å; R162-Q164 PolarHBondContact O-N 3.48Å
163	A	92.1	Very high	90.4	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.332	C	S	.	.			trans	-63.4	128	-171.2	0	0	0	0	0	111.9	W108 L113 F115 L157 S161	W108-A163 HydrophobicContact CB-CB 3.83Å; W108-A163 HydrophobicContact CD2-CB 3.94Å; W108-A163 HydrophobicContact CE3-CB 4.49Å; W108-A163 HydrophobicContact CG-CB 3.59Å; L113-A163 HydrophobicContact CD1-CB 3.92Å; F115-A163 HydrophobicContact CZ-CB 4.1Å; L157-A163 WeakPolarHBondContact CB-O 3.45Å; L157-A163 HydrophobicContact CD1-CB 4.36Å; L157-A163 WeakPolarHBondContact CG-O 3.42Å; L157-A163 PolarHBondContact N-O 3.08Å; S161-A163 PolarHBondContact O-N 2.84Å; S161-A163 WeakPolarHBondContact OG-CB 3.22Å; S161-A163 PolarHBondContact OG-N 3.16Å
164	Q	93.8	Very high	90.5	Very high	72 Å²	72	63.5 Å²	63.5	34%	0.336	31%	0.313	S	S	.	.			trans	-105.1	155.3	176	-61.9	169.6	-51.1	0	0	110.2	W108 Q154 R162	W108-Q164 HydrophobicContact CE3-CB 4.5Å; W108-Q164 HydrophobicContact CH2-CB 3.79Å; W108-Q164 HydrophobicContact CH2-CG 4.02Å; W108-Q164 HydrophobicContact CZ3-CB 3.66Å; W108-Q164 HydrophobicContact CZ3-CG 4.38Å; W108-Q164 VanDerWaalsContact CZ3-N 3.34Å; Q154-Q164 PolarHBondContact O-NE2 2.87Å; R162-Q164 PolarHBondContact O-N 3.48Å
165	I	94.8	Very high	90.6	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.3	C	S	.	.			trans	-120.9	141.7	176.9	59.5	167.9	0	0	0	110.9	F90 L104 C106 V151 Q154 L157	F90-I165 HydrophobicContact CB-CB 4.07Å; F90-I165 HydrophobicContact CB-CG2 3.73Å; F90-I165 HydrophobicContact CD1-CB 3.75Å; F90-I165 HydrophobicContact CD1-CD1 4.36Å; F90-I165 HydrophobicContact CD1-CG2 4.38Å; F90-I165 HydrophobicContact CD2-CD1 4.24Å; F90-I165 HydrophobicContact CE1-CB 4.4Å; F90-I165 HydrophobicContact CE1-CD1 4.46Å; F90-I165 HydrophobicContact CE2-CD1 4.37Å; F90-I165 HydrophobicContact CG-CB 3.95Å; F90-I165 HydrophobicContact CG-CD1 4.24Å; F90-I165 HydrophobicContact CG-CG2 4.11Å; F90-I165 HydrophobicContact CZ-CD1 4.47Å; L104-I165 HydrophobicContact CD1-CD1 4.09Å; L104-I165 HydrophobicContact CD2-CG2 4.39Å; C106-I165 HydrophobicContact CB-CG2 3.8Å; V151-I165 HydrophobicContact CG2-CD1 3.67Å; V151-I165 HydrophobicContact CG2-CG1 3.82Å; Q154-I165 PolarHBondContact NE2-O 3.48Å; L157-I165 HydrophobicContact CD1-CG2 3.71Å; L157-I165 HydrophobicContact CD2-CD1 4.36Å; L157-I165 HydrophobicContact CD2-CG1 4.46Å; L157-I165 HydrophobicContact CD2-CG2 4.29Å; L157-I165 HydrophobicContact CG-CG2 4.19Å
166	N	91.5	Very high	90.6	Very high	80 Å²	80	61.4 Å²	61.4	43%	0.428	30%	0.303	S	S	.	.			trans	-142.8	-47.8	-174.3	-172.7	-52.4	0	0	0	111.1	G88 Q154 P168	G88-N166 PolarHBondContact O-N 3.4Å; Q154-N166 PolarHBondContact OE1-ND2 2.73Å; N166-P168 WeakPolarHBondContact O-CD 3.47Å
167	R	94.2	Very high	90.3	Very high	145 Å²	145	62.7 Å²	62.7	55%	0.547	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	109.5	-167.1	-51.1	-171.7	71.1	75.8	1.4	111.6	G88 D89 F90 V169	G88-R167 PolarHBondContact O-N 3.4Å; D89-R167 CarbonylContact C-O 3.51Å; D89-R167 WeakPolarHBondContact CA-O 3.48Å; D89-R167 WeakPolarHBondContact OD1-CB 3.32Å; F90-R167 VanDerWaalsContact CD1-O 3.28Å; F90-R167 WeakPolarHBondContact CD1-O 3.49Å; F90-R167 PolarHBondContact N-O 2.93Å; R167-V169 PolarHBondContact O-N 3.49Å
168	P	96.2	Very high	90.1	Very high	60 Å²	60	63.3 Å²	63.3	39%	0.39	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	122.8	176.4	25.4	-31.7	0	0	0	111.4	W70 F90 N166 N170	W70-P168 HydrophobicContact CB-CB 3.8Å; W70-P168 HydrophobicContact CG-CB 4.22Å; F90-P168 HydrophobicContact CE1-CB 3.99Å; F90-P168 HydrophobicContact CZ-CB 3.86Å; N166-P168 WeakPolarHBondContact O-CD 3.47Å; P168-N170 PolarHBondContact O-N 3.36Å
169	V	95.4	Very high	89.9	Confident	23 Å²	23	67.2 Å²	67.2	14%	0.139	32%	0.321	C	S	.	.			trans	-83.3	107.4	170.9	-179	0	0	0	0	108.8	H72 L83 V84 D89 F90 L91 R167	H72-V169 PolarHBondContact NE2-O 3.04Å; L83-V169 HydrophobicContact CB-CG1 4.19Å; L83-V169 WeakPolarHBondContact O-CG1 3.49Å; V84-V169 HydrophobicContact CG1-CG2 4.14Å; D89-V169 HydrophobicContact CB-CG2 3.78Å; F90-V169 PolarHBondContact O-N 3.42Å; L91-V169 HydrophobicContact CB-CB 4.38Å; R167-V169 PolarHBondContact O-N 3.49Å
170	N	94.5	Very high	89.9	Confident	90 Å²	90	65.8 Å²	65.8	48%	0.481	32%	0.318	S	S	.	.			trans	-85.2	139.1	-173.3	-70.3	-26.3	0	0	0	113	A69 W70 P168	A69-N170 HydrophobicContact CB-CB 3.87Å; A69-N170 WeakPolarHBondContact CB-OD1 3.16Å; A69-N170 CarbonylContact O-C 3.56Å; A69-N170 WeakPolarHBondContact O-CA 3.36Å; W70-N170 PolarHBondContact N-OD1 3.19Å; P168-N170 PolarHBondContact O-N 3.36Å
171	R	91.3	Very high	89.6	Confident	12 Å²	12	55.6 Å²	55.6	5%	0.045	28%	0.283	C	S	.	.			trans	-68.8	142.3	174.7	72.2	-158.4	179.4	87	-11.2	112.1	L54 E57 K66 A69 Y71 L173	L54-R171 HydrophobicContact CD1-CG 4.03Å; L54-R171 VanDerWaalsContact CD1-NH1 3.27Å; E57-R171 IonicContact OE2-CZ 2.7Å; E57-R171 VanDerWaalsContact OE2-CZ 3.27Å; E57-R171 IonicContact OE2-NH1 2.95Å; E57-R171 PolarHBondContact OE2-NH1 3.45Å; E57-R171 IonicContact OE2-NH2 2.69Å; E57-R171 PolarHBondContact OE2-NH2 2.95Å; K66-R171 PolarHBondContact O-NH2 2.94Å; A69-R171 WeakPolarHBondContact O-CG 3.3Å; A69-R171 PolarHBondContact O-N 3.28Å; Y71-R171 WeakPolarHBondContact O-CD 3.46Å; R171-L173 PolarHBondContact NH1-O 3.24Å
172	T	87.8	Confident	89.3	Confident	106 Å²	106	55.6 Å²	55.6	65%	0.65	28%	0.28	S	S	*	.	S	Bend	trans	-103.4	7.4	177.6	52.3	0	0	0	0	113.4
173	L	88.6	Confident	88	Confident	6 Å²	6	48.4 Å²	48.4	3%	0.031	26%	0.258	C	S	.	.	S	Bend	trans	-141.7	150.8	-174	-71.8	170.6	0	0	0	112.2	L43 P46 R171 F177 L178	L43-L173 HydrophobicContact CD1-CD1 3.42Å; L43-L173 VanDerWaalsContact CD1-CD1 3.42Å; L43-L173 HydrophobicContact CD2-CD1 3.39Å; L43-L173 HydrophobicContact CG-CD1 3.94Å; P46-L173 HydrophobicContact CB-CD2 3.77Å; P46-L173 HydrophobicContact CG-CD2 4.22Å; R171-L173 PolarHBondContact NH1-O 3.24Å; L173-F177 HydrophobicContact CD1-CD1 4.3Å; L173-L178 HydrophobicContact CB-CD2 4.2Å; L173-L178 HydrophobicContact CB-CG 4.3Å; L173-L178 HydrophobicContact CD1-CD2 4.12Å
174	P	90.4	Very high	86.2	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.			trans	-65.4	143.4	174.6	27.3	-32.5	0	0	0	111.2	L50 Q53 E57 S176 F177 L178	L50-P174 HydrophobicContact CB-CG 4.49Å; L50-P174 HydrophobicContact CD2-CG 3.79Å; Q53-P174 HydrophobicContact CB-CB 3.95Å; Q53-P174 HydrophobicContact CB-CG 4.01Å; E57-P174 WeakPolarHBondContact OE1-CB 3.49Å; E57-P174 VanDerWaalsContact OE2-CA 3.28Å; E57-P174 WeakPolarHBondContact OE2-CA 3.42Å; P174-S176 PolarHBondContact O-N 2.87Å; P174-F177 HydrophobicContact CG-CB 3.94Å; P174-F177 WeakPolarHBondContact O-CB 2.96Å; P174-F177 PolarHBondContact O-N 2.79Å; P174-L178 PolarHBondContact O-N 3.19Å
175	L	90.5	Very high	84	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-35.3	-179.4	-76	159.4	0	0	0	111.2	E57 K66 Y71 H72 F177 L178 E179	E57-L175 VanDerWaalsContact CD-N 3.31Å; E57-L175 PolarHBondContact OE1-N 2.9Å; E57-L175 PolarHBondContact OE2-N 3.4Å; K66-L175 HydrophobicContact CB-CD1 3.78Å; K66-L175 HydrophobicContact CD-CD1 4.18Å; K66-L175 HydrophobicContact CG-CD1 3.72Å; Y71-L175 HydrophobicContact CD1-CD1 3.79Å; Y71-L175 HydrophobicContact CD1-CD2 3.99Å; Y71-L175 HydrophobicContact CE1-CD1 3.86Å; Y71-L175 HydrophobicContact CE1-CD2 3.9Å; H72-L175 VanDerWaalsContact C-CD2 3.42Å; L175-F177 PolarHBondContact O-N 2.59Å; L175-L178 HydrophobicContact CD2-CD1 4.43Å; L175-L178 PolarHBondContact O-N 2.78Å; L175-L178 VanDerWaalsContact O-N 3.16Å; L175-E179 WeakPolarHBondContact O-CB 3.19Å; L175-E179 PolarHBondContact O-N 2.97Å
176	S	87.8	Confident	81.5	Confident	45 Å²	45	57.7 Å²	57.7	32%	0.315	33%	0.325	S	S	.	.	H	α-helix	trans	-56.9	-32.8	171.5	46.8	0	0	0	0	113.6	E57 P174 T180	E57-S176 PolarHBondContact OE1-N 3.42Å; E57-S176 PolarHBondContact OE1-OG 3.3Å; P174-S176 PolarHBondContact O-N 2.87Å; S176-T180 WeakPolarHBondContact O-CB 3.1Å; S176-T180 PolarHBondContact O-N 3.48Å; S176-T180 PolarHBondContact O-OG1 2.69Å
177	F	86.1	Confident	79	Confident	69 Å²	69	59 Å²	59	30%	0.303	34%	0.34	S	S	.	.	H	α-helix	trans	-74.8	-46.7	172.4	-174.6	-75.4	0	0	0	111.5	L43 L50 L173 P174 L175 E179 T180 A181	L43-F177 HydrophobicContact CD2-CD1 4.11Å; L43-F177 HydrophobicContact CD2-CE1 3.32Å; L43-F177 HydrophobicContact CD2-CZ 3.66Å; L50-F177 HydrophobicContact CD1-CD2 4.17Å; L50-F177 HydrophobicContact CD1-CE2 4.37Å; L50-F177 HydrophobicContact CD2-CB 4.21Å; L50-F177 HydrophobicContact CD2-CD2 3.76Å; L50-F177 HydrophobicContact CD2-CG 4.32Å; L173-F177 HydrophobicContact CD1-CD1 4.3Å; P174-F177 HydrophobicContact CG-CB 3.94Å; P174-F177 WeakPolarHBondContact O-CB 2.96Å; P174-F177 PolarHBondContact O-N 2.79Å; L175-F177 PolarHBondContact O-N 2.59Å; F177-E179 VanDerWaalsContact C-N 3.29Å; F177-E179 PolarHBondContact O-N 2.88Å; F177-T180 CarbonylContact O-C 3.54Å; F177-T180 WeakPolarHBondContact O-CB 3.14Å; F177-T180 PolarHBondContact O-N 3.15Å; F177-T180 VanDerWaalsContact O-N 3.12Å; F177-A181 HydrophobicContact CD1-CB 4.38Å; F177-A181 HydrophobicContact CE1-CB 4.05Å; F177-A181 WeakPolarHBondContact O-CB 3.2Å; F177-A181 PolarHBondContact O-N 3.43Å
178	L	84.8	Confident	76.1	Confident	12 Å²	12	60.6 Å²	60.6	6%	0.063	35%	0.354	C	S	.	.	H	α-helix	trans	-61.7	-38.9	-179.7	-61.3	172.5	0	0	0	111.4	H72 I75 L173 P174 L175 A181 F182	H72-L178 WeakPolarHBondContact O-CD1 3.37Å; I75-L178 HydrophobicContact CG2-CD2 4.46Å; L173-L178 HydrophobicContact CB-CD2 4.2Å; L173-L178 HydrophobicContact CB-CG 4.3Å; L173-L178 HydrophobicContact CD1-CD2 4.12Å; P174-L178 PolarHBondContact O-N 3.19Å; L175-L178 HydrophobicContact CD2-CD1 4.43Å; L175-L178 PolarHBondContact O-N 2.78Å; L175-L178 VanDerWaalsContact O-N 3.16Å; L178-A181 PolarHBondContact O-N 3.49Å; L178-F182 HydrophobicContact CB-CD2 4.46Å; L178-F182 HydrophobicContact CD2-CE2 4.04Å; L178-F182 WeakPolarHBondContact O-CD2 3.5Å; L178-F182 PolarHBondContact O-N 2.65Å
179	E	85.6	Confident	73.4	Confident	98 Å²	98	68.8 Å²	68.8	46%	0.458	38%	0.377	S	S	.	.	H	α-helix	trans	-61.2	-48.1	171.1	-172.5	171.2	-165.5	0	0	111.2	P74 L175 F177 A181 F182 S183	P74-E179 HydrophobicContact CG-CB 4.2Å; L175-E179 WeakPolarHBondContact O-CB 3.19Å; L175-E179 PolarHBondContact O-N 2.97Å; F177-E179 VanDerWaalsContact C-N 3.29Å; F177-E179 PolarHBondContact O-N 2.88Å; E179-A181 VanDerWaalsContact C-N 3.29Å; E179-A181 PolarHBondContact O-N 2.97Å; E179-F182 PolarHBondContact O-N 2.78Å; E179-S183 WeakPolarHBondContact CG-OG 3.47Å; E179-S183 WeakPolarHBondContact O-CA 3Å; E179-S183 WeakPolarHBondContact O-CB 3.33Å; E179-S183 PolarHBondContact O-N 3.49Å; E179-S183 PolarHBondContact O-OG 3.31Å
180	T	82.5	Confident	70.6	Confident	115 Å²	115	75.1 Å²	75.1	71%	0.706	41%	0.41	S	S	*	.	H	α-helix	trans	-61.2	-36.5	174.9	-56.5	0	0	0	0	112.4	S176 F177	S176-T180 WeakPolarHBondContact O-CB 3.1Å; S176-T180 PolarHBondContact O-N 3.48Å; S176-T180 PolarHBondContact O-OG1 2.69Å; F177-T180 CarbonylContact O-C 3.54Å; F177-T180 WeakPolarHBondContact O-CB 3.14Å; F177-T180 PolarHBondContact O-N 3.15Å; F177-T180 VanDerWaalsContact O-N 3.12Å
181	A	77.1	Confident	67.7	Low	17 Å²	17	79.4 Å²	79.4	14%	0.14	43%	0.432	C	S	.	.	H	α-helix	trans	-74.5	-34.7	-178.5	0	0	0	0	0	113.9	F41 F177 L178 E179	F41-A181 HydrophobicContact CD1-CB 4.31Å; F41-A181 HydrophobicContact CE1-CB 3.98Å; F177-A181 HydrophobicContact CD1-CB 4.38Å; F177-A181 HydrophobicContact CE1-CB 4.05Å; F177-A181 WeakPolarHBondContact O-CB 3.2Å; F177-A181 PolarHBondContact O-N 3.43Å; L178-A181 PolarHBondContact O-N 3.49Å; E179-A181 VanDerWaalsContact C-N 3.29Å; E179-A181 PolarHBondContact O-N 2.97Å
182	F	79.4	Confident	65	Low	27 Å²	27	88.8 Å²	88.8	12%	0.118	47%	0.473	C	S	.	.	H	α-helix	trans	-119.1	-25.9	-168.6	-56.1	-55.6	0	0	0	115	F41 P74 I75 P76 L178 E179 A184 S185	F41-F182 HydrophobicContact CB-CE1 4.41Å; F41-F182 HydrophobicContact CD1-CE1 4.2Å; F41-F182 HydrophobicContact CG-CE1 4.17Å; P74-F182 WeakPolarHBondContact O-CB 3.25Å; I75-F182 HydrophobicContact CG2-CD2 3.98Å; I75-F182 HydrophobicContact CG2-CE2 3.89Å; P76-F182 HydrophobicContact CG-CD1 4.04Å; P76-F182 HydrophobicContact CG-CE1 4.41Å; P76-F182 HydrophobicContact CG-CG 4.42Å; L178-F182 HydrophobicContact CB-CD2 4.46Å; L178-F182 HydrophobicContact CD2-CE2 4.04Å; L178-F182 WeakPolarHBondContact O-CD2 3.5Å; L178-F182 PolarHBondContact O-N 2.65Å; E179-F182 PolarHBondContact O-N 2.78Å; F182-A184 PolarHBondContact O-N 3.35Å; F182-S185 PolarHBondContact O-N 2.85Å; F182-S185 PolarHBondContact O-OG 3.49Å
183	S	64.6	Low	62.4	Low	35 Å²	35	88 Å²	88	25%	0.245	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-73.3	-6.1	178.3	-58	0	0	0	0	114	P74 E179 S185 F186	P74-S183 WeakPolarHBondContact CG-OG 3.33Å; E179-S183 WeakPolarHBondContact CG-OG 3.47Å; E179-S183 WeakPolarHBondContact O-CA 3Å; E179-S183 WeakPolarHBondContact O-CB 3.33Å; E179-S183 PolarHBondContact O-N 3.49Å; E179-S183 PolarHBondContact O-OG 3.31Å; S183-S185 PolarHBondContact O-N 2.94Å; S183-F186 PolarHBondContact O-N 2.92Å
184	A	52.8	Low	59.5	Low	97 Å²	97	91.4 Å²	91.4	80%	0.802	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-57.5	-6.4	166.5	0	0	0	0	0	113.9	F182	F182-A184 PolarHBondContact O-N 3.35Å
185	S	48.7	Very low	56.6	Low	73 Å²	73	100.6 Å²	100.6	51%	0.51	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-101	-1.3	173.7	64.2	0	0	0	0	115.5	F182 S183	F182-S185 PolarHBondContact O-N 2.85Å; F182-S185 PolarHBondContact O-OG 3.49Å; S183-S185 PolarHBondContact O-N 2.94Å
186	F	42	Very low	53.6	Low	97 Å²	97	111.1 Å²	111.1	43%	0.425	61%	0.605	S	S	.	*	S	Bend	trans	-95.7	-18.9	-172.3	-118.3	-89.4	0	0	0	115.6	S183	S183-F186 PolarHBondContact O-N 2.92Å
187	S	37.9	Very low	50.6	Low	107 Å²	107	115.2 Å²	115.2	75%	0.748	63%	0.628	S	S	*	*			trans	-128.5	56.9	-170	-57.3	0	0	0	0	114.3
188	Q	34	Very low	47.9	Very low	178 Å²	178	116.3 Å²	116.3	83%	0.832	64%	0.643	S	S	*	*			trans	-136.5	57.2	161.7	-79.4	-150.3	-23.4	0	0	113
189	R	39.1	Very low	45.1	Very low	232 Å²	232	122.1 Å²	122.1	88%	0.875	68%	0.681	S	S	*	*	S	Bend	trans	-126.8	143.1	141.6	-81.5	-179.7	-78.4	-175.7	-2.1	107.4
190	D	36.8	Very low	42.4	Very low	156 Å²	156	124.6 Å²	124.6	83%	0.834	70%	0.696	S	S	*	*	S	Bend	trans	58.1	78.2	177.4	-51.8	-39.7	0	0	0	117.1
191	L	33.5	Very low	39.7	Very low	180 Å²	180	124.3 Å²	124.3	94%	0.942	70%	0.699	S	S	*	*				-172.6	157.3	108.6	-93.7	164.3	0	0	0	111.1
192	K	35.4	Very low	37.3	Very low	209 Å²	209	129.3 Å²	129.3	91%	0.909	73%	0.73	S	S	*	*			trans	-97.5	137.2	-175.6	-84	179.4	171.6	176.2	0	112.5
193	G	33.6	Very low	34.8	Very low	89 Å²	89	133.3 Å²	133.3	92%	0.918	76%	0.761	S	S	*	*			trans	95.5	120.4	157	0	0	0	0	0	115
194	G	27.7	Very low	33	Very low	78 Å²	78	137.6 Å²	137.6	80%	0.804	79%	0.791	S	S	*	*			trans	156.8	138.8	178.8	0	0	0	0	0	111.1
195	E	28.1	Very low	31.9	Very low	194 Å²	194	139.9 Å²	139.9	91%	0.907	80%	0.795	S	S	*	*			trans	-73.1	149.3	-174	-68.7	163.1	104.1	0	0	113.1
196	R	28.4	Very low	30.8	Very low	225 Å²	225	144.4 Å²	144.4	85%	0.849	81%	0.808	S	S	*	*			trans	-89.9	104.9	170	-64.1	-174.1	-170.5	-169.6	2.5	109.8
197	V	25.6	Very low	30.1	Very low	132 Å²	132	148.3 Å²	148.3	80%	0.8	83%	0.827	S	S	*	*			trans	-94.2	116.3	165.7	179.6	0	0	0	0	109.1
198	C	27.3	Very low	29.4	Very low	91 Å²	91	146.3 Å²	146.3	62%	0.615	82%	0.823	S	S	*	*			trans	-86.3	134.5	166.7	-62.7	0	0	0	0	109	I200	C198-I200 PolarHBondContact O-N 2.71Å; C198-I200 VanDerWaalsContact O-N 3.13Å
199	P	26	Very low	29	Very low	134 Å²	134	144.1 Å²	144.1	87%	0.87	83%	0.828	S	S	*	*			trans	-65.6	111.4	168.7	-18.8	32.3	0	0	0	110
200	I	30.1	Very low	28.3	Very low	151 Å²	151	136.3 Å²	136.3	77%	0.774	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-95.5	130.9	180	-71.1	169.7	0	0	0	109.6	C198	C198-I200 PolarHBondContact O-N 2.71Å; C198-I200 VanDerWaalsContact O-N 3.13Å
201	S	25.5	Very low	27.9	Very low	109 Å²	109	134.5 Å²	134.5	76%	0.762	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-70	132.7	169.8	-53.6	0	0	0	0	110.5
202	P	27.8	Very low	27.5	Very low	122 Å²	122	132.1 Å²	132.1	79%	0.792	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-85.3	131.9	-169.6	31.9	-35	0	0	0	113.7
203	S	25.7	Very low	27.1	Very low	111 Å²	111	133.2 Å²	133.2	78%	0.776	81%	0.806	S	S	*	*			trans	-166.4	151.8	146.1	10.5	0	0	0	0	112
204	S	27.9	Very low	26.7	Very low	124 Å²	124	136 Å²	136	87%	0.867	79%	0.793	S	S	*	*			trans	63.5	85	162.5	-55	0	0	0	0	118.2
205	V	28.8	Very low	26.7	Very low	146 Å²	146	139.4 Å²	139.4	89%	0.885	79%	0.787	S	S	*	*			trans	-94	134.2	161.1	176.6	0	0	0	0	109.8
206	Q	26.2	Very low	26.7	Very low	167 Å²	167	136.4 Å²	136.4	78%	0.78	78%	0.777	S	S	*	*			trans	-144.6	130.7	167.5	-103.8	-169.9	0.9	0	0	110.9
207	H	27.4	Very low	26.7	Very low	180 Å²	180	130.7 Å²	130.7	83%	0.833	77%	0.772	S	S	*	*			trans	61.3	148.7	174	-53.5	-72.8	0	0	0	116.8
208	G	23.5	Very low	26.8	Very low	64 Å²	64	135.6 Å²	135.6	66%	0.66	78%	0.776	S	S	*	*			cis	168.7	175.4	-6.8	0	0	0	0	0	112.4
209	S	24.8	Very low	26.8	Very low	133 Å²	133	135.6 Å²	135.6	93%	0.93	78%	0.783	S	S	*	*			trans	75.3	144.8	179.2	-153.1	0	0	0	0	116.6
210	G	23.3	Very low	26.9	Very low	67 Å²	67	137.5 Å²	137.5	69%	0.691	79%	0.785	S	S	*	*			cis	156	125	-13.4	0	0	0	0	0	116
211	S	28.6	Very low	27	Very low	119 Å²	119	137.6 Å²	137.6	83%	0.832	79%	0.786	S	S	*	*			trans	-176.2	104.6	158	46.9	0	0	0	0	107.7
212	D	26	Very low	27.8	Very low	130 Å²	130	138.5 Å²	138.5	70%	0.695	79%	0.79	S	S	*	*				67.1	103.5	71.8	-169.8	22.6	0	0	0	114.6
213	W	26.9	Very low	27.7	Very low	232 Å²	232	137.1 Å²	137.1	88%	0.879	79%	0.789	S	S	*	*			trans	-149.7	149.9	138	-86.5	110.1	0	0	0	110.1
214	K	26.1	Very low	27.7	Very low	148 Å²	148	136.6 Å²	136.6	64%	0.643	79%	0.791	S	S	*	*			trans	-69.8	171.1	-174.4	-50.9	170.9	-173.7	173.1	0	112.1
215	H	27.8	Very low	27.8	Very low	148 Å²	148	139.3 Å²	139.3	69%	0.685	79%	0.79	S	S	*	*			cis	-162	159.2	36.7	-113.5	-76.4	0	0	0	113.2
216	D	27.3	Very low	28.9	Very low	131 Å²	131	137.9 Å²	137.9	70%	0.701	78%	0.783	S	S	*	*			trans	67	123.6	141.8	-72.3	12.5	0	0	0	126.3
217	S	28.8	Very low	30	Very low	105 Å²	105	134.3 Å²	134.3	73%	0.734	78%	0.775	S	S	*	*				89.9	90.4	124.9	-67.9	0	0	0	0	123.4
218	R	27.5	Very low	30.1	Very low	236 Å²	236	134.1 Å²	134.1	89%	0.891	77%	0.774	S	S	*	*				66.4	89.5	109.2	-157.7	179.6	-160	171.4	4.7	120
219	A	27.6	Very low	30.4	Very low	91 Å²	91	135 Å²	135	75%	0.752	77%	0.77	S	S	*	*			trans	40.7	133.3	133.1	0	0	0	0	0	122.5
220	L	28.1	Very low	30.6	Very low	174 Å²	174	136.6 Å²	136.6	91%	0.911	76%	0.762	S	S	*	*				-173.5	150.4	128.3	-100.8	160.4	0	0	0	113.2
221	N	31.1	Very low	31	Very low	152 Å²	152	140.9 Å²	140.9	81%	0.813	77%	0.769	S	S	*	*			trans	-105.1	174.4	160.1	-76.2	-30.8	0	0	0	107.6
222	P	42.3	Very low	31.1	Very low	128 Å²	128	140.6 Å²	140.6	83%	0.831	77%	0.767	S	S	*	*			cis	-134.6	-157.3	8.8	42	-21.5	0	0	0	114.4
223	A	25.2	Very low	31.9	Very low	94 Å²	94	140.4 Å²	140.4	78%	0.777	77%	0.773	S	S	*	*			trans	-80.7	155.3	-171.6	0	0	0	0	0	117.1
224	A	26.6	Very low	32	Very low	99 Å²	99	134 Å²	134	82%	0.818	76%	0.764	S	S	*	*			trans	-170.1	147.1	132.7	0	0	0	0	0	114.1
225	H	30.3	Very low	32.1	Very low	182 Å²	182	138 Å²	138	84%	0.843	78%	0.775	S	S	*	*			trans	-66.6	-174.6	179.5	-59.5	-75.8	0	0	0	116.3
226	P	50.9	Low	32.1	Very low	115 Å²	115	135.2 Å²	135.2	75%	0.747	77%	0.772	S	S	*	*			cis	-130.4	-143.3	-44.4	36.7	-15.1	0	0	0	109.3
227	P	49.2	Very low	32.2	Very low	93 Å²	93	137 Å²	137	60%	0.604	78%	0.78	S	S	*	*			cis	-136.4	-177.2	-11.8	26.5	0.1	0	0	0	117.7
228	H	30.6	Very low	32.1	Very low	176 Å²	176	137.9 Å²	137.9	82%	0.815	79%	0.787	S	S	*	*			trans	79.3	140	165.8	-52.7	-67.2	0	0	0	118.5
229	S	28.7	Very low	32	Very low	82 Å²	82	132.5 Å²	132.5	57%	0.573	78%	0.784	S	S	*	*			cis	-164.8	168.1	-14.9	47.6	0	0	0	0	113.2
230	H	30.1	Very low	32	Very low	166 Å²	166	133.8 Å²	133.8	77%	0.769	79%	0.787	S	S	*	*			trans	63.6	109.3	168.4	-47.3	-69	0	0	0	117.5
231	N	30.5	Very low	32	Very low	158 Å²	158	137.6 Å²	137.6	85%	0.845	79%	0.79	S	S	*	*				-161.7	159.7	62.2	-95.9	-23.5	0	0	0	113.2
232	S	31.5	Very low	32	Very low	113 Å²	113	134.5 Å²	134.5	79%	0.79	79%	0.785	S	S	*	*			trans	-163.8	170	-172.6	-81.1	0	0	0	0	111.4
233	P	42.2	Very low	32	Very low	125 Å²	125	134.2 Å²	134.2	81%	0.812	78%	0.783	S	S	*	*			cis	-115.1	-136.8	-25.9	41.2	-24.9	0	0	0	108
234	S	29.3	Very low	32.3	Very low	98 Å²	98	134.7 Å²	134.7	69%	0.685	78%	0.781	S	S	*	*			cis	-151.3	154.8	-20	55.2	0	0	0	0	105.5
235	R	29.6	Very low	32.5	Very low	231 Å²	231	136 Å²	136	87%	0.872	78%	0.778	S	S	*	*				51.9	139	57	-69.1	-170	179.2	-141.9	1.9	115.4
236	S	27	Very low	32.4	Very low	90 Å²	90	132.8 Å²	132.8	63%	0.629	77%	0.772	S	S	*	*			cis	-177.7	143.6	-23.3	47.1	0	0	0	0	110.6
237	L	29.8	Very low	31.3	Very low	168 Å²	168	132.7 Å²	132.7	88%	0.88	77%	0.774	S	S	*	*			trans	59.2	129.8	158.2	-63.3	164.1	0	0	0	120.3
238	S	26.3	Very low	30.1	Very low	125 Å²	125	133.8 Å²	133.8	87%	0.874	78%	0.784	S	S	*	*			trans	-178.3	164.1	139.5	-85.2	0	0	0	0	112.3
239	C	25.5	Very low	30.7	Very low	123 Å²	123	130.7 Å²	130.7	83%	0.831	78%	0.779	S	S	*	*			trans	-125.5	151	-179.2	-60	0	0	0	0	112.4
240	S	27.7	Very low	30.7	Very low	117 Å²	117	132.1 Å²	132.1	82%	0.818	79%	0.789	S	S	*	*			trans	139.6	141.2	131.9	-63.3	0	0	0	0	117
241	R	28.8	Very low	30.9	Very low	255 Å²	255	131.7 Å²	131.7	96%	0.962	79%	0.792	S	S	*	*			trans	81	152.4	153.3	-116.7	167.4	-178.3	148.6	0.6	119.7
242	A	29.9	Very low	31	Very low	86 Å²	86	130 Å²	130	71%	0.711	79%	0.79	S	S	*	*			trans	-122	-177	-168.6	0	0	0	0	0	112
243	P	42.9	Very low	31	Very low	122 Å²	122	133.8 Å²	133.8	79%	0.792	79%	0.792	S	S	*	*				-145.8	176.7	100.8	38.7	-22.6	0	0	0	117.4
244	S	31.1	Very low	31	Very low	105 Å²	105	132.9 Å²	132.9	73%	0.734	79%	0.786	S	S	*	*			trans	-31.5	158.6	172.8	55.8	0	0	0	0	119.2
245	V	30.4	Very low	31	Very low	125 Å²	125	133 Å²	133	76%	0.758	79%	0.787	S	S	*	*				-155.1	-179.1	50.4	-71	0	0	0	0	111.6
246	T	28	Very low	30.9	Very low	116 Å²	116	128.6 Å²	128.6	71%	0.712	78%	0.781	S	S	*	*			cis	-159.3	163	6	-13	0	0	0	0	112.1
247	S	28.3	Very low	31	Very low	112 Å²	112	128.9 Å²	128.9	78%	0.783	78%	0.782	S	S	*	*			trans	61.8	140.9	146.8	-60.8	0	0	0	0	124.4
248	S	24.6	Very low	30.9	Very low	117 Å²	117	126.1 Å²	126.1	82%	0.818	78%	0.777	S	S	*	*			trans	-115.5	-161.5	-179.1	-34.7	0	0	0	0	110.3
249	P	43	Very low	30.8	Very low	110 Å²	110	125 Å²	125	71%	0.714	77%	0.769	S	S	*	*			cis	-147.5	165.4	16.2	44.7	-23.8	0	0	0	121.2
250	S	28.3	Very low	31.1	Very low	112 Å²	112	126.9 Å²	126.9	78%	0.783	77%	0.77	S	S	*	*			trans	64.8	134.4	137.9	60.5	0	0	0	0	125.8
251	L	34.5	Very low	31.1	Very low	157 Å²	157	129.8 Å²	129.8	82%	0.822	78%	0.776	S	S	*	*			trans	-74.2	172.2	163.3	-68.2	150	0	0	0	113.1
252	P	32.7	Very low	31.4	Very low	124 Å²	124	129.2 Å²	129.2	81%	0.805	77%	0.773	S	S	*	*				-148.4	172.9	96.3	40.6	-24.3	0	0	0	117.2
253	K	31.6	Very low	31.2	Very low	191 Å²	191	135.3 Å²	135.3	83%	0.83	78%	0.778	S	S	*	*			trans	-106.9	-154.7	159.3	-59.2	-177.6	173.3	-178.8	0	107.6
254	P	42.6	Very low	30.8	Very low	107 Å²	107	141 Å²	141	70%	0.695	78%	0.784	S	S	*	*			cis	-140.2	-171.2	-13.6	38.1	-15.1	0	0	0	115.7
255	S	28.6	Very low	30.6	Very low	100 Å²	100	142.6 Å²	142.6	70%	0.699	78%	0.783	S	S	*	*			trans	60.8	164.7	152.1	-18.4	0	0	0	0	121.1
256	D	28.4	Very low	30.6	Very low	139 Å²	139	142.1 Å²	142.1	74%	0.743	78%	0.783	S	S	*	*			cis	-159.3	164.8	-6.8	-135.5	-44.9	0	0	0	113.6
257	S	27.2	Very low	30.7	Very low	95 Å²	95	143.2 Å²	143.2	66%	0.664	79%	0.789	S	S	*	*			trans	64.2	133.1	144	-71.3	0	0	0	0	126.2
258	S	27.9	Very low	30.8	Very low	111 Å²	111	143.1 Å²	143.1	78%	0.776	79%	0.786	S	S	*	*				118.8	122.2	128	74	0	0	0	0	123.2
259	S	25.5	Very low	31	Very low	100 Å²	100	148.7 Å²	148.7	70%	0.699	79%	0.789	S	S	*	*			trans	55.4	119.7	142.6	60.4	0	0	0	0	124.8
260	L	30.7	Very low	30.3	Very low	164 Å²	164	148.9 Å²	148.9	86%	0.859	79%	0.793	S	S	*	*			trans	49.3	120.4	131.6	-56.6	176.4	0	0	0	120.8
261	L	27.7	Very low	30.7	Very low	177 Å²	177	150.9 Å²	150.9	93%	0.927	80%	0.795	S	S	*	*				-165.9	157.3	107.3	-107.5	171.9	0	0	0	114.3
262	R	35	Very low	30.9	Very low	243 Å²	243	149.2 Å²	149.2	92%	0.917	79%	0.793	S	S	*	*			trans	-97.2	115.6	-173.6	-179	-164.2	-158.9	-170.8	9.1	110.4
263	R	25.6	Very low	31.1	Very low	215 Å²	215	149.4 Å²	149.4	81%	0.811	80%	0.795	S	S	*	*			trans	-143.9	105.3	173.6	-166.5	166.7	-179.9	164.9	-2.6	113.1
264	R	35.8	Very low	31.2	Very low	242 Å²	242	149.4 Å²	149.4	91%	0.913	80%	0.797	S	S	*	*			trans	-75.2	141.8	161.4	-69.9	-176.1	174.8	-150	0.5	109
265	L	26.7	Very low	30.5	Very low	137 Å²	137	151.9 Å²	151.9	72%	0.717	81%	0.805	S	S	*	*			trans	-139.8	156.4	156	-77.8	-179.3	0	0	0	109.1
266	P	29.8	Very low	30.6	Very low	116 Å²	116	152.1 Å²	152.1	75%	0.753	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-99.3	161.7	-156.9	37.8	-35.9	0	0	0	114.9
267	V	29.7	Very low	30.7	Very low	138 Å²	138	149.9 Å²	149.9	84%	0.836	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-93.4	126.3	164.7	179.2	0	0	0	0	108.7
268	P	31	Very low	30.8	Very low	110 Å²	110	151 Å²	151	71%	0.714	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-78.2	148.8	172.5	32.2	-33.3	0	0	0	111.6
269	R	29.4	Very low	30.9	Very low	235 Å²	235	150.7 Å²	150.7	89%	0.887	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-91.4	148.1	165.6	-75.3	-178.8	171	173.9	-5.2	109.9
270	S	28.5	Very low	31	Very low	113 Å²	113	153.1 Å²	153.1	79%	0.79	82%	0.818	S	S	*	*			trans	-140.8	113.5	170.9	-57.5	0	0	0	0	109.2
271	D	36.3	Very low	31.1	Very low	155 Å²	155	156.2 Å²	156.2	83%	0.829	82%	0.818	S	S	*	*			trans	-90.6	140.5	173.1	-54.6	-61.3	0	0	0	110.3
272	P	37.2	Very low	31.1	Very low	121 Å²	121	155.6 Å²	155.6	79%	0.786	82%	0.816	S	S	*	*			trans	-110.2	156.1	163	29.8	-16.5	0	0	0	112.7
273	P	37.7	Very low	30.7	Very low	129 Å²	129	147.3 Å²	147.3	84%	0.838	81%	0.806	S	S	*	*			trans	-90.6	172.9	-166.3	37	-38.1	0	0	0	115
274	Q	34.8	Very low	30.9	Very low	191 Å²	191	149 Å²	149	89%	0.893	81%	0.814	S	S	*	*			trans	-74.6	143.1	167	-56.9	174.8	-83.3	0	0	111.3
275	D	27.8	Very low	30.5	Very low	158 Å²	158	142.6 Å²	142.6	85%	0.845	81%	0.807	S	S	*	*			trans	-153.9	-178.8	132	-136.5	-36.4	0	0	0	110.7
276	S	30.8	Very low	30.7	Very low	106 Å²	106	145.2 Å²	145.2	74%	0.741	82%	0.815	S	S	*	*			trans	-123.3	157.9	-143.1	53.9	0	0	0	0	118.9
277	A	28.7	Very low	30.7	Very low	91 Å²	91	147.9 Å²	147.9	75%	0.752	82%	0.822	S	S	*	*			trans	100.5	121.8	149	0	0	0	0	0	122.2
278	S	29.4	Very low	30.6	Very low	120 Å²	120	149.6 Å²	149.6	84%	0.839	82%	0.821	S	S	*	*			trans	100.5	129.3	137.7	76.4	0	0	0	0	122.5
279	S	30.6	Very low	30.7	Very low	103 Å²	103	150.5 Å²	150.5	72%	0.72	83%	0.827	S	S	*	*			trans	70.9	129.3	157.8	-117.6	0	0	0	0	123.7
280	D	28.4	Very low	30.9	Very low	152 Å²	152	145.8 Å²	145.8	81%	0.813	82%	0.815	S	S	*	*			trans	70.7	134.9	152.1	-61.1	-59.7	0	0	0	122.5
281	R	32.9	Very low	31.3	Very low	229 Å²	229	143.2 Å²	143.2	86%	0.864	80%	0.797	S	S	*	*			trans	-91.4	139.8	177.3	-70	171.1	158.2	-162.9	-3.7	110
282	D	27.6	Very low	31.3	Very low	164 Å²	164	143.4 Å²	143.4	88%	0.877	79%	0.787	S	S	*	*				-167.9	136.9	100.5	-97.8	-17.8	0	0	0	110
283	G	26.3	Very low	31.5	Very low	69 Å²	69	141.6 Å²	141.6	71%	0.711	77%	0.774	S	S	*	*			trans	-150.9	113	-172	0	0	0	0	0	112.7
284	Y	28.9	Very low	31.5	Very low	249 Å²	249	139.5 Å²	139.5	98%	0.976	75%	0.753	S	S	*	*			trans	-74.2	131.6	159.5	-83	-104.1	0	0	0	108.8
285	S	28.6	Very low	31.9	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	74%	0.738	S	S	*	*			trans	-138	122.3	168.2	-70.6	0	0	0	0	109.3	L287	S285-L287 PolarHBondContact O-N 3.32Å
286	E	29.6	Very low	32.1	Very low	192 Å²	192	134.9 Å²	134.9	90%	0.897	72%	0.722	S	S	*	*			trans	-70.4	118.8	175	-67.5	177.8	106.4	0	0	110.1	Q288	E286-Q288 PolarHBondContact O-N 3.05Å; E286-Q288 VanDerWaalsContact O-N 3.13Å
287	L	29.6	Very low	32.4	Very low	172 Å²	172	136.7 Å²	136.7	90%	0.901	72%	0.719	S	S	*	*			trans	-75.9	99.7	172.2	-70.2	173.4	0	0	0	109.7	S285	S285-L287 PolarHBondContact O-N 3.32Å
288	Q	27.6	Very low	32.8	Very low	174 Å²	174	136 Å²	136	81%	0.813	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-63.7	140.9	167.7	-68.4	-171.7	-11.4	0	0	110.3	E286 Q290	E286-Q288 PolarHBondContact O-N 3.05Å; E286-Q288 VanDerWaalsContact O-N 3.13Å; Q288-Q290 PolarHBondContact O-N 2.55Å
289	P	34.5	Very low	33.3	Very low	129 Å²	129	138.4 Å²	138.4	84%	0.838	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-65.1	131.9	174.8	-19.8	32.4	0	0	0	111.5
290	Q	32.5	Very low	33.3	Very low	137 Å²	137	142.3 Å²	142.3	64%	0.64	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-56.7	145.1	-179.3	-74.3	-174.5	-73	0	0	113.5	Q288 E294	Q288-Q290 PolarHBondContact O-N 2.55Å; Q290-E294 WeakPolarHBondContact CA-OE2 3.46Å; Q290-E294 WeakPolarHBondContact CB-OE2 3.35Å; Q290-E294 PolarHBondContact NE2-OE1 3.02Å
291	S	38	Very low	33.5	Very low	59 Å²	59	138.6 Å²	138.6	41%	0.413	71%	0.708	S	S	.	*	P	Polyproline II helix	trans	-66.6	154.5	-176.3	-175.3	0	0	0	0	112	V293 E294	S291-V293 PolarHBondContact O-N 3.15Å; S291-V293 PolarHBondContact OG-N 2.84Å; S291-E294 PolarHBondContact N-OE2 2.98Å; S291-E294 PolarHBondContact O-N 3.21Å
292	Y	36.8	Very low	33.4	Very low	158 Å²	158	133.4 Å²	133.4	62%	0.62	70%	0.704	S	S	*	*	H	α-helix	trans	-57.7	-29.5	169.3	177.6	-108.1	0	0	0	112.2	L296	Y292-L296 HydrophobicContact CD1-CD1 4.17Å; Y292-L296 HydrophobicContact CE1-CD1 3.64Å; Y292-L296 HydrophobicContact CE1-CG 4.5Å
293	V	41.1	Very low	33.9	Very low	83 Å²	83	131.6 Å²	131.6	50%	0.503	70%	0.702	S	S	.	*	H	α-helix	trans	-69.8	-39.8	-178.8	-176.4	0	0	0	0	112.5	S291 R295 L296 Q297	S291-V293 PolarHBondContact O-N 3.15Å; S291-V293 PolarHBondContact OG-N 2.84Å; V293-R295 VanDerWaalsContact C-N 3.28Å; V293-R295 PolarHBondContact O-N 3.49Å; V293-L296 PolarHBondContact O-N 2.87Å; V293-Q297 PolarHBondContact O-N 3.27Å
294	E	37.7	Very low	34.2	Very low	85 Å²	85	135 Å²	135	40%	0.397	71%	0.708	S	S	.	*	H	α-helix	trans	-63.3	-35.4	-179.6	-69	168.9	88.6	0	0	111.9	Q290 S291 Q297 A298	Q290-E294 WeakPolarHBondContact CA-OE2 3.46Å; Q290-E294 WeakPolarHBondContact CB-OE2 3.35Å; Q290-E294 PolarHBondContact NE2-OE1 3.02Å; S291-E294 PolarHBondContact N-OE2 2.98Å; S291-E294 PolarHBondContact O-N 3.21Å; E294-Q297 PolarHBondContact O-N 3.34Å; E294-A298 PolarHBondContact O-N 2.85Å
295	R	42.6	Very low	34.7	Very low	156 Å²	156	127.6 Å²	127.6	59%	0.589	70%	0.699	S	S	*	*	H	α-helix	trans	-69.5	-30.3	177.9	-79	179.9	-76.8	147.7	-5.9	113.5	V293 Q297 A298	V293-R295 VanDerWaalsContact C-N 3.28Å; V293-R295 PolarHBondContact O-N 3.49Å; R295-Q297 VanDerWaalsContact C-N 3.32Å; R295-A298 PolarHBondContact O-N 2.77Å
296	L	32.1	Very low	35	Very low	96 Å²	96	129.9 Å²	129.9	50%	0.503	70%	0.703	S	S	.	*	H	α-helix	trans	-74.7	-23.3	175.2	-68.5	173.1	0	0	0	112.7	Y292 V293 A298	Y292-L296 HydrophobicContact CD1-CD1 4.17Å; Y292-L296 HydrophobicContact CE1-CD1 3.64Å; Y292-L296 HydrophobicContact CE1-CG 4.5Å; V293-L296 PolarHBondContact O-N 2.87Å; L296-A298 VanDerWaalsContact C-N 3.33Å
297	Q	36.1	Very low	35.2	Very low	145 Å²	145	126.9 Å²	126.9	68%	0.678	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-9.4	176.9	-67.5	-179.4	-35.9	0	0	113.1	V293 E294 R295	V293-Q297 PolarHBondContact O-N 3.27Å; E294-Q297 PolarHBondContact O-N 3.34Å; R295-Q297 VanDerWaalsContact C-N 3.32Å
298	A	38.8	Very low	35.5	Very low	76 Å²	76	127.5 Å²	127.5	63%	0.628	71%	0.706	S	S	*	*	S	Bend	trans	-86.4	-14.6	178.9	0	0	0	0	0	114.1	E294 R295 L296	E294-A298 PolarHBondContact O-N 2.85Å; R295-A298 PolarHBondContact O-N 2.77Å; L296-A298 VanDerWaalsContact C-N 3.33Å
299	E	38.5	Very low	36	Very low	171 Å²	171	123.1 Å²	123.1	80%	0.799	71%	0.708	S	S	*	*	S	Bend	trans	-96	-5.4	-179.4	-66.3	-160.5	132.4	0	0	114.4	A301	E299-A301 PolarHBondContact O-N 3.3Å
300	E	30.9	Very low	36	Very low	185 Å²	185	122.3 Å²	122.3	86%	0.864	71%	0.705	S	S	*	*			trans	-81.7	58	171.6	-69.7	-163.2	141.1	0	0	112.2
301	A	32.1	Very low	36.6	Very low	74 Å²	74	125.8 Å²	125.8	61%	0.612	72%	0.721	S	S	*	*			trans	-119.5	123.6	170.4	0	0	0	0	0	110.2	E299	E299-A301 PolarHBondContact O-N 3.3Å
302	P	32.1	Very low	36.6	Very low	119 Å²	119	130.3 Å²	130.3	77%	0.773	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-70.8	139.4	-177.8	28.9	-34.3	0	0	0	111.2	T304	P302-T304 PolarHBondContact O-N 2.8Å
303	P	37.4	Very low	36.8	Very low	127 Å²	127	125.6 Å²	125.6	83%	0.825	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-68.7	128.1	-177.8	27.4	-34.2	0	0	0	111.4	A305	P303-A305 PolarHBondContact O-N 3.12Å
304	T	32.2	Very low	36.9	Very low	139 Å²	139	129 Å²	129	85%	0.853	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-68	127.6	167.4	47.7	0	0	0	0	109.9	P302 D306	P302-T304 PolarHBondContact O-N 2.8Å; T304-D306 PolarHBondContact O-N 3.17Å
305	A	40.8	Very low	37.4	Very low	94 Å²	94	129.1 Å²	129.1	78%	0.777	76%	0.762	S	S	*	*			trans	-72.5	114.6	177.2	0	0	0	0	0	111.3	P303	P303-A305 PolarHBondContact O-N 3.12Å
306	D	34.4	Very low	37.8	Very low	156 Å²	156	128.4 Å²	128.4	83%	0.834	77%	0.77	S	S	*	*			trans	-176.8	100.9	135.8	-99.3	-19.7	0	0	0	111.5	T304	T304-D306 PolarHBondContact O-N 3.17Å
307	S	32.9	Very low	39.1	Very low	129 Å²	129	130 Å²	130	90%	0.902	77%	0.773	S	S	*	*			trans	-177.7	94.2	155.8	-82.8	0	0	0	0	110.3
308	L	37	Very low	41.1	Very low	185 Å²	185	127.5 Å²	127.5	97%	0.969	77%	0.772	S	S	*	*			trans	-95.4	133.8	168.8	-75.5	164.9	0	0	0	109.2
309	G	36.8	Very low	43.4	Very low	82 Å²	82	127.1 Å²	127.1	85%	0.845	76%	0.763	S	S	*	*			trans	146.1	33.4	161.3	0	0	0	0	0	121.3
310	S	35.2	Very low	45.9	Very low	113 Å²	113	122.3 Å²	122.3	79%	0.79	75%	0.745	S	S	*	*			trans	-154.2	101.8	158.4	60.5	0	0	0	0	112.7	D312	S310-D312 PolarHBondContact O-N 2.88Å
311	E	44.9	Very low	48.9	Very low	209 Å²	209	118 Å²	118	98%	0.977	73%	0.73	S	S	*	*			trans	-80.8	85.8	169	-68.6	-177.9	106.1	0	0	110.4
312	D	38.8	Very low	51.8	Low	155 Å²	155	116.8 Å²	116.8	83%	0.829	71%	0.712	S	S	*	*			trans	-122.6	140.8	142.7	-164.5	6.8	0	0	0	108	S310 D314	S310-D312 PolarHBondContact O-N 2.88Å; D312-D314 PolarHBondContact O-N 3.36Å
313	G	40.8	Very low	54.7	Low	58 Å²	58	117.1 Å²	117.1	60%	0.598	71%	0.712	S	S	*	*			trans	-81	84.9	-161.9	0	0	0	0	0	112.9	V315	G313-V315 PolarHBondContact O-N 2.79Å
314	D	42.3	Very low	57.3	Low	156 Å²	156	113.4 Å²	113.4	83%	0.834	69%	0.693	S	S	*	*			trans	-71.1	68.4	165.3	-165.9	26	0	0	0	110.7	D312 N316	D312-D314 PolarHBondContact O-N 3.36Å; D314-N316 PolarHBondContact O-N 2.67Å
315	V	49.2	Very low	60.3	Low	86 Å²	86	108.3 Å²	108.3	52%	0.521	66%	0.663	S	S	.	*			trans	-65.8	103.1	170.9	176.9	0	0	0	0	106.5	G313 F317	G313-V315 PolarHBondContact O-N 2.79Å; V315-F317 VanDerWaalsContact C-N 3.3Å; V315-F317 HydrophobicContact CB-CD2 4.25Å; V315-F317 HydrophobicContact CB-CE2 3.8Å; V315-F317 HydrophobicContact CB-CZ 4.03Å; V315-F317 HydrophobicContact CG1-CD1 4.3Å; V315-F317 HydrophobicContact CG1-CD2 4.3Å; V315-F317 HydrophobicContact CG1-CE1 3.98Å; V315-F317 HydrophobicContact CG1-CE2 3.98Å; V315-F317 HydrophobicContact CG1-CG 4.44Å; V315-F317 HydrophobicContact CG1-CZ 3.81Å; V315-F317 WeakPolarHBondContact O-CD2 3.33Å; V315-F317 WeakPolarHBondContact O-CG 3.48Å; V315-F317 PolarHBondContact O-N 2.63Å
316	N	51.1	Low	62.9	Low	141 Å²	141	107 Å²	107	75%	0.754	65%	0.647	S	S	*	*			trans	-59.4	89.2	178.4	-175.5	3.2	0	0	0	110.8	D314 S318	D314-N316 PolarHBondContact O-N 2.67Å; N316-S318 PolarHBondContact O-N 3.16Å
317	F	59.4	Low	65.9	Low	131 Å²	131	100.2 Å²	100.2	58%	0.575	61%	0.61	S	S	*	*			trans	-77.4	90.4	-174.3	-79	-72.9	0	0	0	110.6	V315 R387	V315-F317 VanDerWaalsContact C-N 3.3Å; V315-F317 HydrophobicContact CB-CD2 4.25Å; V315-F317 HydrophobicContact CB-CE2 3.8Å; V315-F317 HydrophobicContact CB-CZ 4.03Å; V315-F317 HydrophobicContact CG1-CD1 4.3Å; V315-F317 HydrophobicContact CG1-CD2 4.3Å; V315-F317 HydrophobicContact CG1-CE1 3.98Å; V315-F317 HydrophobicContact CG1-CE2 3.98Å; V315-F317 HydrophobicContact CG1-CG 4.44Å; V315-F317 HydrophobicContact CG1-CZ 3.81Å; V315-F317 WeakPolarHBondContact O-CD2 3.33Å; V315-F317 WeakPolarHBondContact O-CG 3.48Å; V315-F317 PolarHBondContact O-N 2.63Å; F317-R387 HydrophobicContact CB-CG 4.13Å; F317-R387 HydrophobicContact CD2-CG 4.43Å; F317-R387 HydrophobicContact CG-CG 4.24Å
318	S	77.3	Confident	68.9	Low	92 Å²	92	99.5 Å²	99.5	64%	0.643	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-50.9	136.8	170	-55.6	0	0	0	0	111.7	N316	N316-S318 PolarHBondContact O-N 3.16Å
319	P	87.3	Confident	71.7	Confident	68 Å²	68	91 Å²	91	44%	0.442	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-56.9	141	175.1	-25.5	35	0	0	0	112.3
320	V	91.8	Very high	74.4	Confident	70 Å²	70	88.1 Å²	88.1	42%	0.424	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-89.8	124.3	-177.9	179.3	0	0	0	0	109.7	E322 K388	V320-E322 PolarHBondContact O-N 3.41Å; V320-K388 HydrophobicContact CB-CB 4.32Å; V320-K388 HydrophobicContact CB-CG 4.45Å; V320-K388 HydrophobicContact CG2-CB 4.36Å; V320-K388 HydrophobicContact CG2-CG 4.1Å; V320-K388 PolarHBondContact N-O 3.42Å
321	V	93.3	Very high	77.2	Confident	93 Å²	93	92.1 Å²	92.1	56%	0.564	51%	0.512	S	S	*	.			trans	-75.4	112.5	166.5	-170.9	0	0	0	0	108.4	T323 H402	V321-T323 HydrophobicContact CG1-CG2 4.47Å; V321-H402 HydrophobicContact CB-CB 4.37Å; V321-H402 HydrophobicContact CG1-CB 4.29Å; V321-H402 HydrophobicContact CG2-CB 3.92Å
322	E	93.8	Very high	79.6	Confident	50 Å²	50	83.8 Å²	83.8	23%	0.234	47%	0.472	C	S	.	.			trans	-77.9	133	173.7	-68.5	176.4	-159.2	0	0	109.9	V320 R377 Q405	V320-E322 PolarHBondContact O-N 3.41Å; E322-R377 IonicContact OE1-CZ 3.54Å; E322-R377 IonicContact OE1-NH1 2.63Å; E322-R377 PolarHBondContact OE1-NH1 2.93Å; E322-R377 IonicContact OE1-NH2 3.3Å; E322-R377 PolarHBondContact OE1-NH2 3Å; E322-R377 IonicContact OE2-CZ 3.62Å; E322-R377 IonicContact OE2-NH1 2.67Å; E322-R377 PolarHBondContact OE2-NH1 3.19Å; E322-R377 IonicContact OE2-NH2 3.42Å; E322-R377 PolarHBondContact OE2-NH2 2.9Å; E322-Q405 HydrophobicContact CB-CB 3.84Å; E322-Q405 HydrophobicContact CB-CG 4.22Å; E322-Q405 WeakPolarHBondContact O-CB 3.25Å
323	T	91.8	Very high	82.2	Confident	125 Å²	125	83 Å²	83	77%	0.767	46%	0.463	S	S	*	.			trans	-124.4	4.4	-171.5	55.1	0	0	0	0	114.2	V321	V321-T323 HydrophobicContact CG1-CG2 4.47Å
324	A	93.1	Very high	84.7	Confident	50 Å²	50	81.6 Å²	81.6	41%	0.413	44%	0.443	S	S	.	.	S	Bend	trans	-152.6	140.5	176.4	0	0	0	0	0	111.1	R328 Q405	A324-R328 VanDerWaalsContact CB-NH2 3.26Å; A324-R328 PolarHBondContact O-NH2 3.18Å; A324-Q405 VanDerWaalsContact C-OE1 3.25Å; A324-Q405 VanDerWaalsContact N-OE1 3.09Å
325	S	95	Very high	87.1	Confident	32 Å²	32	78.2 Å²	78.2	22%	0.224	44%	0.438	C	S	.	.			trans	-50.6	147.5	-171	-170.6	0	0	0	0	115.3	F327 R328 Q405 D409	S325-F327 PolarHBondContact O-N 3.45Å; S325-F327 WeakPolarHBondContact OG-CD2 3.41Å; S325-F327 PolarHBondContact OG-N 3.09Å; S325-F327 VanDerWaalsContact OG-N 3.16Å; S325-R328 PolarHBondContact O-NE 3.34Å; S325-R328 PolarHBondContact O-NH2 3.48Å; S325-Q405 VanDerWaalsContact N-CD 3.33Å; S325-D409 VanDerWaalsContact CA-OD1 3.3Å; S325-D409 WeakPolarHBondContact CA-OD1 3.43Å; S325-D409 WeakPolarHBondContact CB-OD1 3.42Å; S325-D409 VanDerWaalsContact OG-CG 3.27Å; S325-D409 PolarHBondContact OG-OD1 3.02Å
326	C	94.6	Very high	89.3	Confident	66 Å²	66	75.3 Å²	75.3	45%	0.446	42%	0.419	S	S	.	.	S	Bend	trans	-67.2	-24.3	167.4	67.9	0	0	0	0	113.2	D409	C326-D409 PolarHBondContact N-OD2 3.31Å; C326-D409 PolarHBondContact SG-OD2 3.02Å
327	F	97.1	Very high	91.4	Very high	14 Å²	14	69 Å²	69	6%	0.061	39%	0.385	C	S	.	.			trans	-77	141.6	174.5	-47.6	-51	0	0	0	110.9	S325 V375 D409 E412 R413 T590 M594	S325-F327 PolarHBondContact O-N 3.45Å; S325-F327 WeakPolarHBondContact OG-CD2 3.41Å; S325-F327 PolarHBondContact OG-N 3.09Å; S325-F327 VanDerWaalsContact OG-N 3.16Å; F327-V375 HydrophobicContact CE1-CG1 4.28Å; F327-V375 HydrophobicContact CE1-CG2 4.09Å; F327-V375 HydrophobicContact CZ-CG1 3.83Å; F327-V375 HydrophobicContact CZ-CG2 4.38Å; F327-D409 HydrophobicContact CE2-CB 3.92Å; F327-D409 VanDerWaalsContact CE2-O 3.28Å; F327-D409 WeakPolarHBondContact CE2-O 3.36Å; F327-D409 HydrophobicContact CZ-CB 4.32Å; F327-E412 HydrophobicContact CD2-CG 4.26Å; F327-E412 HydrophobicContact CE2-CB 4.3Å; F327-E412 HydrophobicContact CE2-CG 4.42Å; F327-R413 HydrophobicContact CE2-CB 4.37Å; F327-R413 HydrophobicContact CZ-CB 4.1Å; F327-T590 HydrophobicContact CD1-CG2 4.23Å; F327-T590 HydrophobicContact CD2-CG2 3.95Å; F327-T590 VanDerWaalsContact CE1-CB 3.47Å; F327-T590 HydrophobicContact CE1-CG2 4.1Å; F327-T590 WeakPolarHBondContact CE1-OG1 3.31Å; F327-T590 HydrophobicContact CE2-CG2 3.79Å; F327-T590 HydrophobicContact CG-CG2 4.18Å; F327-T590 HydrophobicContact CZ-CG2 3.89Å; F327-T590 VanDerWaalsContact CZ-OG1 3.28Å; F327-T590 WeakPolarHBondContact CZ-OG1 3.5Å; F327-M594 HydrophobicContact CB-SD 4.11Å; F327-M594 HydrophobicContact CG-SD 4.5Å
328	R	96.1	Very high	93.1	Very high	113 Å²	113	66 Å²	66	43%	0.426	38%	0.379	S	S	.	.			trans	-145.5	65.9	-176.5	-59.6	-63.1	161.5	151.6	3.2	110.1	A324 S325 G330 R331 Y332 D591	A324-R328 VanDerWaalsContact CB-NH2 3.26Å; A324-R328 PolarHBondContact O-NH2 3.18Å; S325-R328 PolarHBondContact O-NE 3.34Å; S325-R328 PolarHBondContact O-NH2 3.48Å; R328-G330 VanDerWaalsContact C-N 3.3Å; R328-G330 PolarHBondContact O-N 2.78Å; R328-R331 HydrophobicContact CB-CB 4.13Å; R328-R331 HydrophobicContact CB-CG 4.47Å; R328-R331 CarbonylContact O-C 3.51Å; R328-R331 WeakPolarHBondContact O-CA 3.46Å; R328-R331 PolarHBondContact O-N 3.16Å; R328-Y332 PolarHBondContact O-N 3.25Å; R328-D591 VanDerWaalsContact C-OD1 3.23Å; R328-D591 PolarHBondContact N-OD1 3.22Å
329	P	96	Very high	93.8	Very high	7 Å²	7	65.6 Å²	65.6	5%	0.045	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-31.6	-170.2	21.1	-32.3	0	0	0	114.2	R331 Y332 M594 R595 A603 E604	P329-R331 PolarHBondContact O-N 3.21Å; P329-Y332 PolarHBondContact O-N 3.33Å; P329-M594 HydrophobicContact CB-CB 4.23Å; P329-M594 HydrophobicContact CG-CB 4.45Å; P329-M594 HydrophobicContact CG-CE 4.06Å; P329-M594 HydrophobicContact CG-SD 4.17Å; P329-R595 HydrophobicContact CB-CG 3.79Å; P329-R595 VanDerWaalsContact O-CD 3.31Å; P329-R595 WeakPolarHBondContact O-CD 3.45Å; P329-A603 HydrophobicContact CB-CB 3.69Å; P329-A603 HydrophobicContact CG-CB 3.77Å; P329-E604 HydrophobicContact CG-CG 4.03Å
330	G	93.3	Very high	94.2	Very high	22 Å²	22	70.5 Å²	70.5	23%	0.227	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.9	173	0	0	0	0	0	114.4	R328 Q339 E604	R328-G330 VanDerWaalsContact C-N 3.3Å; R328-G330 PolarHBondContact O-N 2.78Å; G330-Q339 PolarHBondContact O-NE2 3.07Å; G330-E604 VanDerWaalsContact CA-OE1 3.24Å; G330-E604 WeakPolarHBondContact CA-OE1 3.42Å; G330-E604 PolarHBondContact N-OE1 3.11Å
331	R	93.8	Very high	94.4	Very high	196 Å²	196	67.3 Å²	67.3	74%	0.74	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-10.4	174.8	-58.7	-174	-179.5	-166.9	-1.2	113.6	R328 P329 H333	R328-R331 HydrophobicContact CB-CB 4.13Å; R328-R331 HydrophobicContact CB-CG 4.47Å; R328-R331 CarbonylContact O-C 3.51Å; R328-R331 WeakPolarHBondContact O-CA 3.46Å; R328-R331 PolarHBondContact O-N 3.16Å; P329-R331 PolarHBondContact O-N 3.21Å; R331-H333 PolarHBondContact O-CE1 3Å; R331-H333 PolarHBondContact O-N 2.88Å; R331-H333 PolarHBondContact O-ND1 2.69Å
332	Y	95.3	Very high	94.5	Very high	35 Å²	35	70.1 Å²	70.1	14%	0.137	37%	0.369	C	S	.	.			trans	-73.6	123.5	179.2	177.5	-93.8	0	0	0	110.8	R328 P329 E586 L589 D591 F592 R595	R328-Y332 PolarHBondContact O-N 3.25Å; P329-Y332 PolarHBondContact O-N 3.33Å; Y332-E586 VanDerWaalsContact OH-CD 3.29Å; Y332-E586 VanDerWaalsContact OH-CG 3.31Å; Y332-E586 WeakPolarHBondContact OH-CG 3.47Å; Y332-E586 PolarHBondContact OH-OE2 2.77Å; Y332-L589 HydrophobicContact CE2-CD1 3.93Å; Y332-D591 HydrophobicContact CD1-CB 4.13Å; Y332-D591 HydrophobicContact CD2-CB 3.48Å; Y332-D591 VanDerWaalsContact CD2-CB 3.48Å; Y332-D591 HydrophobicContact CE2-CB 4.17Å; Y332-D591 HydrophobicContact CG-CB 3.46Å; Y332-D591 VanDerWaalsContact CG-CB 3.46Å; Y332-F592 HydrophobicContact CE1-CB 3.83Å; Y332-F592 HydrophobicContact CE1-CD2 4.16Å; Y332-R595 PolarHBondContact O-NH1 3.05Å
333	H	93.8	Very high	94.6	Very high	138 Å²	138	71.5 Å²	71.5	64%	0.639	38%	0.382	S	S	*	.			trans	-106.6	147.8	176.8	-65.7	68.6	0	0	0	109.6	R331	R331-H333 PolarHBondContact O-CE1 3Å; R331-H333 PolarHBondContact O-N 2.88Å; R331-H333 PolarHBondContact O-ND1 2.69Å
334	S	93.7	Very high	94.7	Very high	28 Å²	28	67.1 Å²	67.1	20%	0.196	35%	0.354	C	S	.	.			trans	-140.8	146.9	-171.3	-180	0	0	0	0	111.2	L336 M337 E586	S334-L336 VanDerWaalsContact C-N 3.34Å; S334-L336 PolarHBondContact OG-N 3.04Å; S334-M337 PolarHBondContact OG-N 3.4Å; S334-E586 VanDerWaalsContact CA-OE2 3.3Å; S334-E586 WeakPolarHBondContact CA-OE2 3.29Å; S334-E586 WeakPolarHBondContact CB-OE2 3.3Å; S334-E586 PolarHBondContact OG-OE2 2.9Å
335	A	93.4	Very high	94.8	Very high	86 Å²	86	67.7 Å²	67.7	71%	0.711	35%	0.348	S	S	*	.	S	Bend	trans	-76.7	-23.9	166.8	0	0	0	0	0	112.6	E586	A335-E586 PolarHBondContact N-OE1 3.43Å
336	L	94.3	Very high	94.7	Very high	24 Å²	24	71.7 Å²	71.7	13%	0.126	37%	0.371	C	S	.	.	S	Bend	trans	-94.4	-8.6	-174.9	-63.7	-179.8	0	0	0	114	S334 R351 L355 E583 I587 F592	S334-L336 VanDerWaalsContact C-N 3.34Å; S334-L336 PolarHBondContact OG-N 3.04Å; L336-R351 HydrophobicContact CD2-CG 3.94Å; L336-L355 HydrophobicContact CD1-CD1 3.75Å; L336-L355 HydrophobicContact CD2-CD1 3.99Å; L336-E583 HydrophobicContact CD1-CB 4.14Å; L336-E583 WeakPolarHBondContact CD1-O 3.22Å; L336-E583 HydrophobicContact CD2-CB 4.13Å; L336-E583 HydrophobicContact CD2-CG 3.89Å; L336-E583 HydrophobicContact CG-CB 4.37Å; L336-E583 HydrophobicContact CG-CG 4.36Å; L336-I587 HydrophobicContact CD1-CG1 4.27Å; L336-F592 HydrophobicContact CB-CE2 3.96Å; L336-F592 HydrophobicContact CB-CZ 4.44Å; L336-F592 HydrophobicContact CD1-CE2 4.37Å; L336-F592 HydrophobicContact CD1-CZ 4.39Å
337	M	95.4	Very high	94.7	Very high	9 Å²	9	70.4 Å²	70.4	4%	0.044	37%	0.369	C	S	.	.	S	Bend	trans	-145.6	128.8	-168.9	173.1	-175.9	-61.2	0	0	111.9	S334 N341 I348 F592 R595 L596	S334-M337 PolarHBondContact OG-N 3.4Å; M337-N341 HydrophobicContact CG-CB 3.65Å; M337-N341 HydrophobicContact SD-CB 4.24Å; M337-N341 VanDerWaalsContact SD-CG 3.52Å; M337-N341 PolarHBondContact SD-OD1 3.32Å; M337-N341 VanDerWaalsContact SD-OD1 3.35Å; M337-I348 HydrophobicContact CB-CD1 4.07Å; M337-I348 HydrophobicContact CE-CD1 4.35Å; M337-I348 HydrophobicContact CE-CG2 4.27Å; M337-I348 HydrophobicContact CG-CD1 3.8Å; M337-F592 HydrophobicContact CB-CE2 4.27Å; M337-F592 HydrophobicContact CE-CD2 4.01Å; M337-F592 HydrophobicContact CE-CE2 3.78Å; M337-F592 HydrophobicContact CE-CZ 4.16Å; M337-R595 HydrophobicContact CE-CB 4.02Å; M337-R595 HydrophobicContact SD-CB 3.35Å; M337-R595 WeakPolarHBondContact SD-CB 3.36Å; M337-R595 HydrophobicContact SD-CG 4.23Å; M337-R595 PolarHBondContact SD-NE 2.81Å; M337-L596 HydrophobicContact CE-CB 3.72Å; M337-L596 HydrophobicContact CE-CD1 4.27Å
338	P	95	Very high	94.7	Very high	68 Å²	68	70.1 Å²	70.1	44%	0.442	37%	0.368	S	S	.	.			trans	-71.8	155.7	179.1	31.4	-35.7	0	0	0	112	E340 N341 R595	P338-E340 PolarHBondContact O-N 3.28Å; P338-E340 VanDerWaalsContact O-N 3.08Å; P338-N341 HydrophobicContact CG-CB 4.07Å; P338-N341 PolarHBondContact O-N 3.08Å; P338-R595 PolarHBondContact O-NH2 3.37Å; P338-R595 VanDerWaalsContact O-NH2 3.08Å
339	Q	92.6	Very high	94.6	Very high	84 Å²	84	67 Å²	67	39%	0.393	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.7	-176.2	-175.5	56.6	7	0	0	113.9	G330 R595	G330-Q339 PolarHBondContact O-NE2 3.07Å; Q339-R595 PolarHBondContact O-NH2 3.1Å
340	E	94.7	Very high	94.5	Very high	170 Å²	170	74.5 Å²	74.5	79%	0.794	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	57.3	170.4	-68.2	-167.6	-162.6	0	0	113.2	P338	P338-E340 PolarHBondContact O-N 3.28Å; P338-E340 VanDerWaalsContact O-N 3.08Å
341	N	96.1	Very high	94.6	Very high	3 Å²	3	77.4 Å²	77.4	2%	0.016	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-72.4	151.9	175.1	80.2	-78	0	0	0	113.9	M337 P338 E345 I348 R595 S600	M337-N341 HydrophobicContact CG-CB 3.65Å; M337-N341 HydrophobicContact SD-CB 4.24Å; M337-N341 VanDerWaalsContact SD-CG 3.52Å; M337-N341 PolarHBondContact SD-OD1 3.32Å; M337-N341 VanDerWaalsContact SD-OD1 3.35Å; P338-N341 HydrophobicContact CG-CB 4.07Å; P338-N341 PolarHBondContact O-N 3.08Å; N341-E345 WeakPolarHBondContact CA-OE2 3.46Å; N341-I348 HydrophobicContact CB-CD1 3.93Å; N341-R595 PolarHBondContact ND2-O 3.41Å; N341-R595 PolarHBondContact OD1-NE 2.99Å; N341-R595 VanDerWaalsContact OD1-NE 3.11Å; N341-R595 PolarHBondContact OD1-NH2 3.14Å; N341-S600 PolarHBondContact O-N 3.36Å; N341-S600 PolarHBondContact O-OG 2.9Å
342	K	96.4	Very high	94.7	Very high	152 Å²	152	68.2 Å²	68.2	66%	0.661	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-86.8	159.1	172.7	-68.7	176.5	-176	172.1	0	111.9	E345	K342-E345 HydrophobicContact CB-CB 4.42Å; K342-E345 PolarHBondContact N-OE2 2.99Å
343	P	95.2	Very high	94.7	Very high	79 Å²	79	71 Å²	71	51%	0.513	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	135.2	168.7	-14.1	26.1	0	0	0	110.2	E345 L597	P343-E345 VanDerWaalsContact C-N 3.27Å; P343-E345 PolarHBondContact O-N 3.48Å; P343-L597 WeakPolarHBondContact CB-O 3.45Å
344	L	94.4	Very high	94.7	Very high	34 Å²	34	68 Å²	68	18%	0.178	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	42.6	177.6	-64.9	-178.5	0	0	0	114.1	V346 L349 V423 L596 L597 F614 V617 L621	L344-V346 PolarHBondContact O-N 3.31Å; L344-L349 HydrophobicContact CB-CD1 4Å; L344-L349 HydrophobicContact CD2-CD1 4.2Å; L344-L349 HydrophobicContact CD2-CD2 4.22Å; L344-L349 WeakPolarHBondContact O-CD1 3.43Å; L344-V423 HydrophobicContact CD2-CG1 3.61Å; L344-V423 HydrophobicContact CD2-CG2 4.28Å; L344-L596 PolarHBondContact N-O 3.24Å; L344-L597 HydrophobicContact CD2-CD2 4.32Å; L344-F614 HydrophobicContact CD1-CE2 4.14Å; L344-F614 HydrophobicContact CD1-CZ 3.8Å; L344-F614 HydrophobicContact CD2-CZ 3.99Å; L344-F614 HydrophobicContact CG-CE2 4.25Å; L344-F614 HydrophobicContact CG-CZ 3.95Å; L344-V617 HydrophobicContact CD1-CG1 3.81Å; L344-L621 HydrophobicContact CD1-CD1 4.43Å
345	E	94.8	Very high	94.8	Very high	62 Å²	62	67 Å²	67	29%	0.29	35%	0.348	S	S	.	.			trans	-65.9	116.3	-176.4	-167.2	171.5	137.7	0	0	112.1	N341 K342 P343 G347 I348 L349	N341-E345 WeakPolarHBondContact CA-OE2 3.46Å; K342-E345 HydrophobicContact CB-CB 4.42Å; K342-E345 PolarHBondContact N-OE2 2.99Å; P343-E345 VanDerWaalsContact C-N 3.27Å; P343-E345 PolarHBondContact O-N 3.48Å; E345-G347 VanDerWaalsContact C-N 3.28Å; E345-G347 PolarHBondContact O-N 3.48Å; E345-G347 VanDerWaalsContact O-N 3.15Å; E345-I348 HydrophobicContact CB-CD1 3.94Å; E345-I348 HydrophobicContact CB-CG1 4.09Å; E345-I348 HydrophobicContact CG-CD1 4.36Å; E345-I348 HydrophobicContact CG-CG1 4.32Å; E345-I348 PolarHBondContact O-N 3.1Å; E345-L349 PolarHBondContact O-N 3.37Å
346	V	93.4	Very high	94.9	Very high	116 Å²	116	64.3 Å²	64.3	70%	0.703	32%	0.321	S	S	*	.	H	α-helix	trans	-57.7	-35.4	-167.1	-177.3	0	0	0	0	113.5	L344 R350	L344-V346 PolarHBondContact O-N 3.31Å; V346-R350 WeakPolarHBondContact O-CB 3.34Å; V346-R350 PolarHBondContact O-N 2.97Å
347	G	95.1	Very high	94.9	Very high	39 Å²	39	66.4 Å²	66.4	40%	0.402	34%	0.342	S	S	.	.	H	α-helix	trans	-63.8	-40.5	176.5	0	0	0	0	0	112.8	E345 R351	E345-G347 VanDerWaalsContact C-N 3.28Å; E345-G347 PolarHBondContact O-N 3.48Å; E345-G347 VanDerWaalsContact O-N 3.15Å; G347-R351 PolarHBondContact O-N 2.7Å; G347-R351 VanDerWaalsContact O-N 3.15Å
348	I	96.1	Very high	94.8	Very high	8 Å²	8	73.1 Å²	73.1	4%	0.041	37%	0.374	C	S	.	.	H	α-helix	trans	-74.1	-45.4	179.1	-46.8	-179.8	0	0	0	109.8	M337 N341 E345 R350 R351 V352 F592 L596	M337-I348 HydrophobicContact CB-CD1 4.07Å; M337-I348 HydrophobicContact CE-CD1 4.35Å; M337-I348 HydrophobicContact CE-CG2 4.27Å; M337-I348 HydrophobicContact CG-CD1 3.8Å; N341-I348 HydrophobicContact CB-CD1 3.93Å; E345-I348 HydrophobicContact CB-CD1 3.94Å; E345-I348 HydrophobicContact CB-CG1 4.09Å; E345-I348 HydrophobicContact CG-CD1 4.36Å; E345-I348 HydrophobicContact CG-CG1 4.32Å; E345-I348 PolarHBondContact O-N 3.1Å; I348-R350 VanDerWaalsContact C-N 3.25Å; I348-R350 PolarHBondContact O-N 3.4Å; I348-R351 PolarHBondContact O-N 2.69Å; I348-R351 VanDerWaalsContact O-N 3.1Å; I348-V352 HydrophobicContact CG2-CG2 4.37Å; I348-V352 WeakPolarHBondContact O-CB 3.45Å; I348-V352 WeakPolarHBondContact O-CG2 3.45Å; I348-V352 PolarHBondContact O-N 3.05Å; I348-F592 HydrophobicContact CG2-CZ 4.31Å; I348-L596 HydrophobicContact CB-CD1 4.03Å; I348-L596 HydrophobicContact CG2-CD1 3.8Å
349	L	94.4	Very high	94.8	Very high	46 Å²	46	70.4 Å²	70.4	24%	0.241	36%	0.355	C	S	.	.	H	α-helix	trans	-56.7	-39.3	174.6	-71.6	174.6	0	0	0	112.1	L344 E345 K353 V423 L596	L344-L349 HydrophobicContact CB-CD1 4Å; L344-L349 HydrophobicContact CD2-CD1 4.2Å; L344-L349 HydrophobicContact CD2-CD2 4.22Å; L344-L349 WeakPolarHBondContact O-CD1 3.43Å; E345-L349 PolarHBondContact O-N 3.37Å; L349-K353 WeakPolarHBondContact O-CB 3.33Å; L349-K353 PolarHBondContact O-N 2.7Å; L349-V423 HydrophobicContact CD2-CG1 4.14Å; L349-L596 HydrophobicContact CD2-CD1 3.94Å; L349-L596 HydrophobicContact CD2-CD2 4.19Å; L349-L596 HydrophobicContact CD2-CG 4.15Å; L349-L596 HydrophobicContact CG-CD1 4.24Å
350	R	94.3	Very high	95	Very high	166 Å²	166	70.2 Å²	70.2	63%	0.626	36%	0.357	S	S	*	.	H	α-helix	trans	-63.4	-49	173.8	-172.3	-175.5	62.7	-154.8	-7.6	111.4	V346 I348 V352 K353 E354	V346-R350 WeakPolarHBondContact O-CB 3.34Å; V346-R350 PolarHBondContact O-N 2.97Å; I348-R350 VanDerWaalsContact C-N 3.25Å; I348-R350 PolarHBondContact O-N 3.4Å; R350-V352 VanDerWaalsContact C-N 3.32Å; R350-V352 PolarHBondContact O-N 3.49Å; R350-K353 WeakPolarHBondContact O-CB 3.4Å; R350-K353 PolarHBondContact O-N 3.41Å; R350-K353 VanDerWaalsContact O-N 3.1Å; R350-E354 WeakPolarHBondContact CG-OE1 3.46Å; R350-E354 IonicContact NE-OE1 3.6Å; R350-E354 WeakPolarHBondContact O-CG 3.46Å; R350-E354 PolarHBondContact O-N 2.75Å
351	R	95.4	Very high	95.2	Very high	83 Å²	83	62.6 Å²	62.6	31%	0.313	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-37.9	178.9	-177.2	56.3	-174.7	159.5	3.9	112.6	L336 G347 I348 E354 L355 E583	L336-R351 HydrophobicContact CD2-CG 3.94Å; G347-R351 PolarHBondContact O-N 2.7Å; G347-R351 VanDerWaalsContact O-N 3.15Å; I348-R351 PolarHBondContact O-N 2.69Å; I348-R351 VanDerWaalsContact O-N 3.1Å; R351-E354 WeakPolarHBondContact CD-OE2 3.27Å; R351-E354 IonicContact CZ-OE2 3.92Å; R351-E354 IonicContact NH1-OE2 2.99Å; R351-E354 PolarHBondContact NH1-OE2 3.46Å; R351-E354 WeakPolarHBondContact O-CB 3.35Å; R351-E354 PolarHBondContact O-N 3.45Å; R351-L355 HydrophobicContact CG-CD1 4.2Å; R351-L355 WeakPolarHBondContact O-CG 3.48Å; R351-L355 PolarHBondContact O-N 3.27Å; R351-E583 IonicContact CZ-OE2 3.53Å; R351-E583 IonicContact NE-OE2 3.49Å; R351-E583 PolarHBondContact NE-OE2 2.98Å; R351-E583 IonicContact NH2-OE2 2.73Å; R351-E583 PolarHBondContact NH2-OE2 2.91Å
352	V	95.9	Very high	95.3	Very high	3 Å²	3	67.2 Å²	67.2	2%	0.018	34%	0.34	C	S	.	.	H	α-helix	trans	-64.8	-41.2	172.9	170.3	0	0	0	0	111.2	I348 R350 L355 L356 M420 I587 F592 L596	I348-V352 HydrophobicContact CG2-CG2 4.37Å; I348-V352 WeakPolarHBondContact O-CB 3.45Å; I348-V352 WeakPolarHBondContact O-CG2 3.45Å; I348-V352 PolarHBondContact O-N 3.05Å; R350-V352 VanDerWaalsContact C-N 3.32Å; R350-V352 PolarHBondContact O-N 3.49Å; V352-L355 PolarHBondContact O-N 3.34Å; V352-L356 HydrophobicContact CG1-CD1 3.8Å; V352-L356 HydrophobicContact CG1-CG 4.28Å; V352-L356 VanDerWaalsContact O-CB 3.3Å; V352-L356 WeakPolarHBondContact O-CB 3.37Å; V352-L356 VanDerWaalsContact O-CG 3.31Å; V352-L356 WeakPolarHBondContact O-CG 3.44Å; V352-L356 PolarHBondContact O-N 3.02Å; V352-M420 HydrophobicContact CG1-CE 3.72Å; V352-I587 HydrophobicContact CG1-CD1 4.29Å; V352-I587 HydrophobicContact CG1-CG2 3.87Å; V352-I587 HydrophobicContact CG2-CD1 4.45Å; V352-I587 HydrophobicContact CG2-CG1 4.34Å; V352-F592 HydrophobicContact CG2-CE1 3.92Å; V352-F592 HydrophobicContact CG2-CZ 3.72Å; V352-L596 HydrophobicContact CG2-CD2 4.11Å
353	K	93.6	Very high	95.4	Very high	92 Å²	92	61.3 Å²	61.3	40%	0.4	32%	0.317	S	S	.	.	H	α-helix	trans	-64.3	-39.5	174.8	-174.3	-179	176.8	-176.1	0	112.3	L349 R350 A357	L349-K353 WeakPolarHBondContact O-CB 3.33Å; L349-K353 PolarHBondContact O-N 2.7Å; R350-K353 WeakPolarHBondContact O-CB 3.4Å; R350-K353 PolarHBondContact O-N 3.41Å; R350-K353 VanDerWaalsContact O-N 3.1Å; K353-A357 WeakPolarHBondContact O-CB 3.43Å; K353-A357 PolarHBondContact O-N 3.39Å
354	E	94.8	Very high	95.5	Very high	76 Å²	76	57.6 Å²	57.6	36%	0.355	29%	0.293	S	S	.	.	H	α-helix	trans	-59.2	-56.5	173.9	-68.7	160	-161.7	0	0	110.7	R350 R351 L356 A357	R350-E354 WeakPolarHBondContact CG-OE1 3.46Å; R350-E354 IonicContact NE-OE1 3.6Å; R350-E354 WeakPolarHBondContact O-CG 3.46Å; R350-E354 PolarHBondContact O-N 2.75Å; R351-E354 WeakPolarHBondContact CD-OE2 3.27Å; R351-E354 IonicContact CZ-OE2 3.92Å; R351-E354 IonicContact NH1-OE2 2.99Å; R351-E354 PolarHBondContact NH1-OE2 3.46Å; R351-E354 WeakPolarHBondContact O-CB 3.35Å; R351-E354 PolarHBondContact O-N 3.45Å; E354-L356 PolarHBondContact O-N 2.86Å; E354-A357 VanDerWaalsContact O-CB 3.26Å; E354-A357 WeakPolarHBondContact O-CB 3.36Å; E354-A357 PolarHBondContact O-N 3.2Å
355	L	96.2	Very high	95.7	Very high	7 Å²	7	56 Å²	56	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-42.2	179.8	-73.4	166.9	0	0	0	112.6	L336 R351 V352 A357 E358 V359 E583 V584 I587	L336-L355 HydrophobicContact CD1-CD1 3.75Å; L336-L355 HydrophobicContact CD2-CD1 3.99Å; R351-L355 HydrophobicContact CG-CD1 4.2Å; R351-L355 WeakPolarHBondContact O-CG 3.48Å; R351-L355 PolarHBondContact O-N 3.27Å; V352-L355 PolarHBondContact O-N 3.34Å; L355-A357 PolarHBondContact O-N 2.89Å; L355-E358 PolarHBondContact O-N 3.03Å; L355-V359 VanDerWaalsContact O-CG2 3.32Å; L355-V359 WeakPolarHBondContact O-CG2 3.42Å; L355-V359 PolarHBondContact O-N 3.09Å; L355-E583 HydrophobicContact CD1-CB 3.9Å; L355-E583 HydrophobicContact CD2-CB 4.23Å; L355-V584 HydrophobicContact CB-CG2 4.47Å; L355-V584 HydrophobicContact CD2-CG2 4.1Å; L355-I587 HydrophobicContact CB-CD1 3.68Å; L355-I587 HydrophobicContact CD1-CD1 3.91Å; L355-I587 HydrophobicContact CG-CD1 4.45Å
356	L	95.1	Very high	95.9	Very high	29 Å²	29	56.2 Å²	56.2	15%	0.152	28%	0.283	C	S	.	.	H	α-helix	trans	-74.6	-7.8	176.1	-67.4	-179.8	0	0	0	113.9	V352 E354 K441 I587 F588	V352-L356 HydrophobicContact CG1-CD1 3.8Å; V352-L356 HydrophobicContact CG1-CG 4.28Å; V352-L356 VanDerWaalsContact O-CB 3.3Å; V352-L356 WeakPolarHBondContact O-CB 3.37Å; V352-L356 VanDerWaalsContact O-CG 3.31Å; V352-L356 WeakPolarHBondContact O-CG 3.44Å; V352-L356 PolarHBondContact O-N 3.02Å; E354-L356 PolarHBondContact O-N 2.86Å; L356-K441 PolarHBondContact O-NZ 3.27Å; L356-I587 HydrophobicContact CD1-CG2 4.03Å; L356-I587 HydrophobicContact CD2-CD1 4.32Å; L356-I587 HydrophobicContact CD2-CG2 4.12Å; L356-I587 HydrophobicContact CG-CD1 4.22Å; L356-I587 HydrophobicContact CG-CG2 4.21Å; L356-F588 HydrophobicContact CD2-CE2 4.19Å; L356-F588 HydrophobicContact CD2-CZ 3.86Å
357	A	93.6	Very high	96.2	Very high	69 Å²	69	51 Å²	51	57%	0.57	25%	0.251	S	S	*	.	H	α-helix	trans	-74.1	-48.1	170.7	0	0	0	0	0	110.6	K353 E354 L355 V359 K441	K353-A357 WeakPolarHBondContact O-CB 3.43Å; K353-A357 PolarHBondContact O-N 3.39Å; E354-A357 VanDerWaalsContact O-CB 3.26Å; E354-A357 WeakPolarHBondContact O-CB 3.36Å; E354-A357 PolarHBondContact O-N 3.2Å; L355-A357 PolarHBondContact O-N 2.89Å; A357-V359 PolarHBondContact O-N 2.93Å; A357-K441 PolarHBondContact O-NZ 3.05Å
358	E	93.4	Very high	96.3	Very high	150 Å²	150	49.1 Å²	49.1	70%	0.701	23%	0.232	S	C	*	.	H	α-helix	trans	-67	-31.4	-177.6	-63	178.3	-162.2	0	0	113.4	L355 D360	L355-E358 PolarHBondContact O-N 3.03Å; E358-D360 PolarHBondContact O-N 3.43Å
359	V	96.6	Very high	96.5	Very high	10 Å²	10	48.8 Å²	48.8	6%	0.061	23%	0.23	C	C	.	.	S	Bend	trans	-76.7	120.6	-177.2	175	0	0	0	0	111.5	L355 A357 T363 A364 K441 V584	L355-V359 VanDerWaalsContact O-CG2 3.32Å; L355-V359 WeakPolarHBondContact O-CG2 3.42Å; L355-V359 PolarHBondContact O-N 3.09Å; A357-V359 PolarHBondContact O-N 2.93Å; V359-T363 HydrophobicContact CG1-CG2 3.94Å; V359-A364 HydrophobicContact CG1-CB 3.89Å; V359-K441 WeakPolarHBondContact O-CE 3.13Å; V359-K441 PolarHBondContact O-NZ 3.18Å; V359-V584 HydrophobicContact CG2-CB 4.4Å; V359-V584 HydrophobicContact CG2-CG1 3.56Å; V359-V584 HydrophobicContact CG2-CG2 3.89Å
360	D	96.8	Very high	96.6	Very high	81 Å²	81	49.9 Å²	49.9	43%	0.433	23%	0.231	S	C	.	.			trans	-71.7	164.1	174.6	76.9	78.5	0	0	0	113.1	E358 R362 T363 A364	E358-D360 PolarHBondContact O-N 3.43Å; D360-R362 VanDerWaalsContact C-N 3.33Å; D360-R362 PolarHBondContact O-N 3.29Å; D360-R362 WeakPolarHBondContact OD1-CA 3.43Å; D360-R362 WeakPolarHBondContact OD1-CB 3.28Å; D360-R362 PolarHBondContact OD1-N 3.37Å; D360-T363 PolarHBondContact O-N 3.01Å; D360-T363 PolarHBondContact OD1-N 3.42Å; D360-T363 WeakPolarHBondContact OD2-CB 3.45Å; D360-T363 PolarHBondContact OD2-OG1 3.27Å; D360-A364 WeakPolarHBondContact O-CB 3.21Å; D360-A364 PolarHBondContact O-N 3.15Å
361	A	98.3	Very high	96.8	Very high	9 Å²	9	42.5 Å²	42.5	7%	0.074	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-33.6	-175.2	0	0	0	0	0	114.3	A365 Q444 I445 E448	A361-A365 WeakPolarHBondContact O-CB 3.42Å; A361-A365 PolarHBondContact O-N 3.23Å; A361-Q444 HydrophobicContact CB-CB 3.64Å; A361-I445 HydrophobicContact CB-CG1 3.86Å; A361-E448 HydrophobicContact CB-CG 4.36Å
362	R	97.8	Very high	97	Very high	100 Å²	100	38.5 Å²	38.5	38%	0.377	19%	0.189	S	C	.	.	H	α-helix	trans	-74.3	-38.1	177.9	-173.5	176.5	-66.6	-112.9	-11.4	111.2	D360 A365 R366 E448 T452	D360-R362 VanDerWaalsContact C-N 3.33Å; D360-R362 PolarHBondContact O-N 3.29Å; D360-R362 WeakPolarHBondContact OD1-CA 3.43Å; D360-R362 WeakPolarHBondContact OD1-CB 3.28Å; D360-R362 PolarHBondContact OD1-N 3.37Å; R362-A365 PolarHBondContact O-N 3.11Å; R362-R366 WeakPolarHBondContact O-CG 3.48Å; R362-R366 PolarHBondContact O-N 3.3Å; R362-E448 HydrophobicContact CB-CG 4.05Å; R362-E448 WeakPolarHBondContact CG-OE2 3.25Å; R362-E448 IonicContact CZ-OE1 2.7Å; R362-E448 IonicContact CZ-OE2 2.66Å; R362-E448 IonicContact NE-OE1 3.49Å; R362-E448 PolarHBondContact NE-OE1 2.88Å; R362-E448 IonicContact NE-OE2 2.89Å; R362-E448 PolarHBondContact NE-OE2 2.89Å; R362-E448 VanDerWaalsContact NE-OE2 3.16Å; R362-E448 IonicContact NH1-OE2 3.32Å; R362-E448 VanDerWaalsContact NH2-CD 3.27Å; R362-E448 IonicContact NH2-OE1 3.75Å; R362-E448 PolarHBondContact NH2-OE1 3.45Å; R362-E448 IonicContact NH2-OE2 3.73Å; R362-E448 PolarHBondContact NH2-OE2 3.37Å; R362-T452 HydrophobicContact CG-CG2 4.07Å; R362-T452 VanDerWaalsContact CZ-OG1 3.29Å; R362-T452 PolarHBondContact NH1-OG1 3.02Å; R362-T452 VanDerWaalsContact NH1-OG1 3.14Å; R362-T452 PolarHBondContact NH2-OG1 2.8Å
363	T	98.1	Very high	97.1	Very high	28 Å²	28	38.4 Å²	38.4	17%	0.172	19%	0.188	C	C	.	.	H	α-helix	trans	-69.7	-41.5	175.5	-65.7	0	0	0	0	111.2	V359 D360 R366 Y367 F578	V359-T363 HydrophobicContact CG1-CG2 3.94Å; D360-T363 PolarHBondContact O-N 3.01Å; D360-T363 PolarHBondContact OD1-N 3.42Å; D360-T363 WeakPolarHBondContact OD2-CB 3.45Å; D360-T363 PolarHBondContact OD2-OG1 3.27Å; T363-R366 PolarHBondContact O-N 3.03Å; T363-R366 PolarHBondContact OG1-NH1 3.49Å; T363-Y367 HydrophobicContact CG2-CD2 4.13Å; T363-Y367 HydrophobicContact CG2-CE2 3.7Å; T363-Y367 WeakPolarHBondContact O-CD2 3.37Å; T363-Y367 PolarHBondContact O-N 2.85Å; T363-Y367 VanDerWaalsContact O-N 3.11Å; T363-F578 HydrophobicContact CG2-CE2 4.15Å; T363-F578 HydrophobicContact CG2-CZ 4.45Å
364	A	98.4	Very high	97.4	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-58.8	-45.4	169.4	0	0	0	0	0	112	V359 D360 R366 Y367 I368 I445 F588	V359-A364 HydrophobicContact CG1-CB 3.89Å; D360-A364 WeakPolarHBondContact O-CB 3.21Å; D360-A364 PolarHBondContact O-N 3.15Å; A364-R366 VanDerWaalsContact C-N 3.3Å; A364-R366 PolarHBondContact O-N 3.44Å; A364-Y367 PolarHBondContact O-N 3.49Å; A364-Y367 VanDerWaalsContact O-N 3.16Å; A364-I368 WeakPolarHBondContact O-CG1 3.46Å; A364-I368 PolarHBondContact O-N 2.94Å; A364-I445 HydrophobicContact CB-CD1 3.81Å; A364-I445 HydrophobicContact CB-CG1 3.95Å; A364-F588 HydrophobicContact CB-CZ 4.08Å
365	A	98.7	Very high	97.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58	-38.9	175	0	0	0	0	0	112.6	A361 R362 I368 T369 E448 L449 T453	A361-A365 WeakPolarHBondContact O-CB 3.42Å; A361-A365 PolarHBondContact O-N 3.23Å; R362-A365 PolarHBondContact O-N 3.11Å; A365-I368 PolarHBondContact O-N 2.96Å; A365-T369 WeakPolarHBondContact O-CB 3.48Å; A365-T369 PolarHBondContact O-N 2.84Å; A365-T369 PolarHBondContact O-OG1 3.03Å; A365-T369 VanDerWaalsContact O-OG1 3.04Å; A365-E448 HydrophobicContact CB-CB 3.75Å; A365-L449 HydrophobicContact CB-CD2 3.83Å; A365-L449 HydrophobicContact CB-CG 3.79Å; A365-T453 HydrophobicContact CB-CG2 4.11Å
366	R	98.5	Very high	97.6	Very high	67 Å²	67	32.9 Å²	32.9	25%	0.253	17%	0.168	S	C	.	.	H	α-helix	trans	-65.8	-39.8	174.4	-70.7	-176.8	-168.2	111.3	-7.8	113.4	R362 T363 A364 R370 T453 L575 F578	R362-R366 WeakPolarHBondContact O-CG 3.48Å; R362-R366 PolarHBondContact O-N 3.3Å; T363-R366 PolarHBondContact O-N 3.03Å; T363-R366 PolarHBondContact OG1-NH1 3.49Å; A364-R366 VanDerWaalsContact C-N 3.3Å; A364-R366 PolarHBondContact O-N 3.44Å; R366-R370 WeakPolarHBondContact O-CB 2.94Å; R366-R370 PolarHBondContact O-N 2.97Å; R366-T453 HydrophobicContact CG-CG2 4.33Å; R366-L575 HydrophobicContact CB-CD2 3.89Å; R366-L575 HydrophobicContact CG-CD2 4.14Å; R366-F578 HydrophobicContact CB-CD1 4.08Å; R366-F578 HydrophobicContact CB-CD2 4.16Å; R366-F578 HydrophobicContact CB-CE1 3.69Å; R366-F578 HydrophobicContact CB-CE2 3.79Å; R366-F578 HydrophobicContact CB-CG 4.31Å; R366-F578 HydrophobicContact CB-CZ 3.53Å; R366-F578 HydrophobicContact CG-CD2 4.45Å; R366-F578 HydrophobicContact CG-CE2 4.4Å
367	Y	98.6	Very high	97.8	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.02	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-45.8	175.2	-76.8	-71.7	0	0	0	111.4	T363 A364 R370 T371 F578 E580 Q581 V584 R585 F588	T363-Y367 HydrophobicContact CG2-CD2 4.13Å; T363-Y367 HydrophobicContact CG2-CE2 3.7Å; T363-Y367 WeakPolarHBondContact O-CD2 3.37Å; T363-Y367 PolarHBondContact O-N 2.85Å; T363-Y367 VanDerWaalsContact O-N 3.11Å; A364-Y367 PolarHBondContact O-N 3.49Å; A364-Y367 VanDerWaalsContact O-N 3.16Å; Y367-R370 PolarHBondContact O-N 3.42Å; Y367-T371 PolarHBondContact O-N 3.31Å; Y367-T371 PolarHBondContact O-OG1 2.96Å; Y367-T371 VanDerWaalsContact O-OG1 3.08Å; Y367-F578 HydrophobicContact CD1-CE1 4.04Å; Y367-F578 HydrophobicContact CD1-CZ 4.04Å; Y367-F578 AromaticContact CD2-CZ 3.86Å; Y367-F578 HydrophobicContact CD2-CZ 3.86Å; Y367-F578 HydrophobicContact CE1-CE1 4.2Å; Y367-F578 HydrophobicContact CE1-CZ 4.02Å; Y367-F578 AromaticContact CE2-CZ 3.81Å; Y367-F578 HydrophobicContact CE2-CZ 3.81Å; Y367-F578 HydrophobicContact CG-CE1 4.24Å; Y367-F578 AromaticContact CG-CZ 3.96Å; Y367-F578 HydrophobicContact CG-CZ 3.96Å; Y367-F578 AromaticContact CZ-CZ 3.89Å; Y367-E580 HydrophobicContact CD1-CG 4.24Å; Y367-E580 HydrophobicContact CE1-CB 3.96Å; Y367-E580 HydrophobicContact CE1-CG 3.65Å; Y367-Q581 PolarHBondContact OH-N 3.43Å; Y367-V584 HydrophobicContact CD2-CG1 3.74Å; Y367-V584 HydrophobicContact CE1-CB 4.47Å; Y367-V584 HydrophobicContact CE1-CG1 4.2Å; Y367-V584 HydrophobicContact CE2-CB 4.14Å; Y367-V584 HydrophobicContact CE2-CG1 3.29Å; Y367-V584 HydrophobicContact CG-CG1 4.39Å; Y367-R585 HydrophobicContact CD1-CB 4.21Å; Y367-R585 HydrophobicContact CE1-CB 3.93Å; Y367-F588 HydrophobicContact CD1-CD2 4.39Å; Y367-F588 HydrophobicContact CD2-CD2 4.34Å; Y367-F588 AromaticContact CD2-CE2 3.95Å; Y367-F588 HydrophobicContact CD2-CE2 3.95Å; Y367-F588 AromaticContact CG-CD2 3.83Å; Y367-F588 HydrophobicContact CG-CD2 3.83Å; Y367-F588 AromaticContact CG-CE2 3.91Å; Y367-F588 HydrophobicContact CG-CE2 3.91Å
368	I	98.7	Very high	98	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-54.5	-58.5	173.3	-68.2	168.7	0	0	0	109.7	A364 A365 R370 T371 D372 M417 I445 L449 V462 F588	A364-I368 WeakPolarHBondContact O-CG1 3.46Å; A364-I368 PolarHBondContact O-N 2.94Å; A365-I368 PolarHBondContact O-N 2.96Å; I368-R370 VanDerWaalsContact C-N 3.33Å; I368-R370 PolarHBondContact O-N 3.17Å; I368-T371 PolarHBondContact O-N 2.95Å; I368-T371 VanDerWaalsContact O-N 3.1Å; I368-D372 VanDerWaalsContact CG2-OD2 3.28Å; I368-D372 WeakPolarHBondContact CG2-OD2 3.31Å; I368-D372 WeakPolarHBondContact O-CB 3.13Å; I368-D372 VanDerWaalsContact O-CG 3.23Å; I368-D372 PolarHBondContact O-N 3Å; I368-M417 HydrophobicContact CG1-SD 4.09Å; I368-M417 HydrophobicContact CG2-CE 3.79Å; I368-M417 HydrophobicContact CG2-SD 4Å; I368-I445 HydrophobicContact CD1-CG2 3.67Å; I368-L449 HydrophobicContact CB-CD2 4.07Å; I368-L449 HydrophobicContact CD1-CD1 4.05Å; I368-L449 HydrophobicContact CG2-CD1 4.26Å; I368-L449 HydrophobicContact CG2-CD2 3.78Å; I368-V462 HydrophobicContact CD1-CG2 4.39Å; I368-F588 HydrophobicContact CD1-CD1 4.35Å; I368-F588 HydrophobicContact CD1-CE1 4.07Å; I368-F588 HydrophobicContact CG1-CD1 3.49Å; I368-F588 VanDerWaalsContact CG1-CD1 3.49Å; I368-F588 HydrophobicContact CG1-CE1 3.65Å
369	T	98.8	Very high	98.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62	-34.8	-177.2	-57.4	0	0	0	0	113.6	A365 C373 L449 T453 D455 T516	A365-T369 WeakPolarHBondContact O-CB 3.48Å; A365-T369 PolarHBondContact O-N 2.84Å; A365-T369 PolarHBondContact O-OG1 3.03Å; A365-T369 VanDerWaalsContact O-OG1 3.04Å; T369-C373 WeakPolarHBondContact O-CB 3.29Å; T369-C373 PolarHBondContact O-N 3.38Å; T369-C373 PolarHBondContact O-SG 3.33Å; T369-L449 WeakPolarHBondContact OG1-CD2 3.41Å; T369-T453 WeakPolarHBondContact OG1-CB 3.19Å; T369-T453 PolarHBondContact OG1-OG1 3.23Å; T369-D455 WeakPolarHBondContact CA-OD2 3.43Å; T369-D455 VanDerWaalsContact CB-OD2 3.29Å; T369-D455 WeakPolarHBondContact CB-OD2 3.49Å; T369-D455 HydrophobicContact CG2-CB 3.93Å; T369-D455 WeakPolarHBondContact OG1-CB 3.33Å; T369-D455 PolarHBondContact OG1-OD2 3.37Å; T369-T516 WeakPolarHBondContact CG2-OG1 3.45Å
370	R	98.3	Very high	98.1	Very high	70 Å²	70	26.5 Å²	26.5	26%	0.264	12%	0.124	S	C	.	.	H	α-helix	trans	-63	-51.7	173	-173.8	174.7	-172.9	138.8	2	110.7	R366 Y367 I368 C373 T374 E380 L575 E580	R366-R370 WeakPolarHBondContact O-CB 2.94Å; R366-R370 PolarHBondContact O-N 2.97Å; Y367-R370 PolarHBondContact O-N 3.42Å; I368-R370 VanDerWaalsContact C-N 3.33Å; I368-R370 PolarHBondContact O-N 3.17Å; R370-C373 PolarHBondContact O-N 2.95Å; R370-T374 WeakPolarHBondContact O-CB 3.21Å; R370-T374 PolarHBondContact O-N 2.89Å; R370-T374 PolarHBondContact O-OG1 3.19Å; R370-E380 IonicContact CZ-OE1 2.69Å; R370-E380 IonicContact NE-OE1 3.16Å; R370-E380 PolarHBondContact NE-OE1 2.81Å; R370-E380 IonicContact NH2-OE1 3.52Å; R370-E380 PolarHBondContact NH2-OE1 2.99Å; R370-L575 HydrophobicContact CB-CD1 3.75Å; R370-L575 HydrophobicContact CB-CD2 4.43Å; R370-L575 HydrophobicContact CG-CD1 4.11Å; R370-E580 WeakPolarHBondContact CD-OE1 3.48Å; R370-E580 WeakPolarHBondContact CD-OE2 3.44Å; R370-E580 IonicContact CZ-OE1 3.52Å; R370-E580 VanDerWaalsContact CZ-OE1 3.3Å; R370-E580 IonicContact NE-OE1 2.61Å; R370-E580 PolarHBondContact NE-OE1 3.48Å; R370-E580 IonicContact NE-OE2 3.93Å; R370-E580 IonicContact NH1-OE1 3.39Å; R370-E580 PolarHBondContact NH1-OE1 2.94Å
371	T	98.5	Very high	98	Very high	10 Å²	10	24.8 Å²	24.8	6%	0.061	12%	0.117	C	C	.	.	H	α-helix	trans	-66.3	-40.3	-176.5	-50.4	0	0	0	0	111.6	Y367 I368 T374 V375 R413 L589	Y367-T371 PolarHBondContact O-N 3.31Å; Y367-T371 PolarHBondContact O-OG1 2.96Å; Y367-T371 VanDerWaalsContact O-OG1 3.08Å; I368-T371 PolarHBondContact O-N 2.95Å; I368-T371 VanDerWaalsContact O-N 3.1Å; T371-T374 PolarHBondContact O-N 3.04Å; T371-V375 HydrophobicContact CG2-CG2 4.38Å; T371-V375 WeakPolarHBondContact O-CB 3.46Å; T371-V375 WeakPolarHBondContact O-CG2 3.35Å; T371-V375 PolarHBondContact O-N 3.47Å; T371-R413 VanDerWaalsContact CG2-CZ 3.44Å; T371-L589 HydrophobicContact CG2-CD2 3.78Å
372	D	98.8	Very high	97.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.4	-49.4	175.9	-69.9	0.8	0	0	0	110.7	I368 T374 V375 A376 R413 F457 G458 F517	I368-D372 VanDerWaalsContact CG2-OD2 3.28Å; I368-D372 WeakPolarHBondContact CG2-OD2 3.31Å; I368-D372 WeakPolarHBondContact O-CB 3.13Å; I368-D372 VanDerWaalsContact O-CG 3.23Å; I368-D372 PolarHBondContact O-N 3Å; D372-T374 PolarHBondContact O-N 2.65Å; D372-V375 PolarHBondContact O-N 3.09Å; D372-A376 WeakPolarHBondContact O-CB 3.43Å; D372-A376 PolarHBondContact O-N 3.42Å; D372-R413 IonicContact OD1-CZ 3.16Å; D372-R413 IonicContact OD1-NE 3.41Å; D372-R413 PolarHBondContact OD1-NE 3.05Å; D372-R413 IonicContact OD1-NH2 3.99Å; D372-R413 PolarHBondContact OD1-NH2 3.36Å; D372-F457 HydrophobicContact CB-CD1 4.1Å; D372-F457 HydrophobicContact CB-CE1 4.45Å; D372-F457 WeakPolarHBondContact OD2-CD1 3.33Å; D372-G458 VanDerWaalsContact OD2-CA 3.25Å; D372-G458 WeakPolarHBondContact OD2-CA 3.23Å; D372-G458 PolarHBondContact OD2-N 3.36Å; D372-F517 HydrophobicContact CB-CD2 3.76Å; D372-F517 HydrophobicContact CB-CE2 3.83Å; D372-F517 WeakPolarHBondContact O-CE2 3.34Å
373	C	98.5	Very high	97.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.9	-31.3	176.2	-71.4	0	0	0	0	113.8	T369 R370 R377 I378 L379 A571	T369-C373 WeakPolarHBondContact O-CB 3.29Å; T369-C373 PolarHBondContact O-N 3.38Å; T369-C373 PolarHBondContact O-SG 3.33Å; R370-C373 PolarHBondContact O-N 2.95Å; C373-R377 PolarHBondContact O-N 3.5Å; C373-I378 HydrophobicContact CB-CB 3.96Å; C373-I378 HydrophobicContact CB-CG2 4.26Å; C373-I378 WeakPolarHBondContact O-CA 3.43Å; C373-I378 WeakPolarHBondContact O-CB 3.45Å; C373-I378 PolarHBondContact O-N 3.34Å; C373-L379 HydrophobicContact CB-CB 4.32Å; C373-L379 HydrophobicContact CB-CD1 3.87Å; C373-L379 HydrophobicContact CB-CG 3.92Å; C373-L379 PolarHBondContact O-N 2.87Å; C373-A571 HydrophobicContact CB-CB 4.42Å
374	T	98.3	Very high	97.3	Very high	39 Å²	39	29.4 Å²	29.4	24%	0.239	15%	0.151	C	C	.	.	H	α-helix	trans	-68.6	-52.2	173.3	-70.2	0	0	0	0	110.8	R370 T371 D372 A376 R377 E380	R370-T374 WeakPolarHBondContact O-CB 3.21Å; R370-T374 PolarHBondContact O-N 2.89Å; R370-T374 PolarHBondContact O-OG1 3.19Å; T371-T374 PolarHBondContact O-N 3.04Å; D372-T374 PolarHBondContact O-N 2.65Å; T374-A376 VanDerWaalsContact C-N 3.33Å; T374-A376 PolarHBondContact O-N 2.76Å; T374-R377 PolarHBondContact O-N 2.78Å; T374-E380 HydrophobicContact CG2-CB 4.39Å; T374-E380 WeakPolarHBondContact CG2-OE2 3.29Å; T374-E380 PolarHBondContact OG1-OE2 3.03Å
375	V	98.4	Very high	97.1	Very high	20 Å²	20	32 Å²	32	12%	0.121	16%	0.163	C	C	.	.	H	α-helix	trans	-60.9	-42.9	179.6	171.1	0	0	0	0	110.9	F327 T371 D372 R377 L406 L410	F327-V375 HydrophobicContact CE1-CG1 4.28Å; F327-V375 HydrophobicContact CE1-CG2 4.09Å; F327-V375 HydrophobicContact CZ-CG1 3.83Å; F327-V375 HydrophobicContact CZ-CG2 4.38Å; T371-V375 HydrophobicContact CG2-CG2 4.38Å; T371-V375 WeakPolarHBondContact O-CB 3.46Å; T371-V375 WeakPolarHBondContact O-CG2 3.35Å; T371-V375 PolarHBondContact O-N 3.47Å; D372-V375 PolarHBondContact O-N 3.09Å; V375-R377 PolarHBondContact O-N 2.59Å; V375-L406 VanDerWaalsContact O-CD1 3.29Å; V375-L406 WeakPolarHBondContact O-CD1 3.4Å; V375-L410 HydrophobicContact CG1-CD2 3.9Å
376	A	98.3	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	3.3	177.3	0	0	0	0	0	114.7	D372 T374 I378 G394 M395 L410 F517	D372-A376 WeakPolarHBondContact O-CB 3.43Å; D372-A376 PolarHBondContact O-N 3.42Å; T374-A376 VanDerWaalsContact C-N 3.33Å; T374-A376 PolarHBondContact O-N 2.76Å; A376-I378 HydrophobicContact CB-CD1 4.02Å; A376-I378 HydrophobicContact CB-CG1 4.03Å; A376-I378 PolarHBondContact O-N 3.04Å; A376-G394 WeakPolarHBondContact O-CA 3.4Å; A376-M395 HydrophobicContact CB-CE 3.84Å; A376-L410 HydrophobicContact CB-CD1 4.3Å; A376-L410 HydrophobicContact CB-CD2 3.97Å; A376-F517 HydrophobicContact CB-CD2 4.3Å; A376-F517 HydrophobicContact CB-CE1 4.21Å; A376-F517 HydrophobicContact CB-CE2 3.38Å; A376-F517 HydrophobicContact CB-CZ 3.33Å
377	R	98.2	Very high	96.4	Very high	16 Å²	16	40 Å²	40	6%	0.06	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	40.2	178.9	-43.5	178.5	-167.1	-171.8	1.2	111.9	E322 C373 T374 V375 V381 M385 M389 S393 G394 L406	E322-R377 IonicContact OE1-CZ 3.54Å; E322-R377 IonicContact OE1-NH1 2.63Å; E322-R377 PolarHBondContact OE1-NH1 2.93Å; E322-R377 IonicContact OE1-NH2 3.3Å; E322-R377 PolarHBondContact OE1-NH2 3Å; E322-R377 IonicContact OE2-CZ 3.62Å; E322-R377 IonicContact OE2-NH1 2.67Å; E322-R377 PolarHBondContact OE2-NH1 3.19Å; E322-R377 IonicContact OE2-NH2 3.42Å; E322-R377 PolarHBondContact OE2-NH2 2.9Å; C373-R377 PolarHBondContact O-N 3.5Å; T374-R377 PolarHBondContact O-N 2.78Å; V375-R377 PolarHBondContact O-N 2.59Å; R377-V381 HydrophobicContact CB-CG2 4Å; R377-V381 VanDerWaalsContact O-CG2 3.29Å; R377-V381 WeakPolarHBondContact O-CG2 3.44Å; R377-M385 HydrophobicContact CB-CE 4.45Å; R377-M385 HydrophobicContact CG-CE 3.93Å; R377-M389 HydrophobicContact CB-SD 4.37Å; R377-M389 WeakPolarHBondContact CD-SD 3.43Å; R377-M389 HydrophobicContact CG-SD 4.47Å; R377-S393 PolarHBondContact O-OG 2.77Å; R377-S393 VanDerWaalsContact O-OG 3.13Å; R377-G394 PolarHBondContact O-N 3.28Å; R377-L406 HydrophobicContact CG-CD1 4.37Å; R377-L406 HydrophobicContact CG-CD2 4.46Å
378	I	98.1	Very high	96.1	Very high	2 Å²	2	45 Å²	45	1%	0.01	22%	0.219	C	C	.	.	S	Bend	trans	-91.3	-32.5	167.9	-59.6	174.9	0	0	0	109.4	C373 A376 M395 F517 H568 A571	C373-I378 HydrophobicContact CB-CB 3.96Å; C373-I378 HydrophobicContact CB-CG2 4.26Å; C373-I378 WeakPolarHBondContact O-CA 3.43Å; C373-I378 WeakPolarHBondContact O-CB 3.45Å; C373-I378 PolarHBondContact O-N 3.34Å; A376-I378 HydrophobicContact CB-CD1 4.02Å; A376-I378 HydrophobicContact CB-CG1 4.03Å; A376-I378 PolarHBondContact O-N 3.04Å; I378-M395 HydrophobicContact CD1-CE 3.81Å; I378-M395 HydrophobicContact CD1-CG 4.12Å; I378-M395 HydrophobicContact CD1-SD 3.88Å; I378-M395 HydrophobicContact CG1-CE 3.9Å; I378-M395 HydrophobicContact CG1-CG 3.87Å; I378-M395 HydrophobicContact CG1-SD 4.21Å; I378-F517 HydrophobicContact CD1-CB 4.26Å; I378-F517 HydrophobicContact CD1-CD1 4.01Å; I378-F517 HydrophobicContact CD1-CD2 3.99Å; I378-F517 HydrophobicContact CD1-CE1 4.37Å; I378-F517 HydrophobicContact CD1-CE2 4.38Å; I378-F517 HydrophobicContact CD1-CG 3.8Å; I378-H568 HydrophobicContact CG2-CB 4.4Å; I378-H568 WeakPolarHBondContact O-CB 3.27Å; I378-H568 PolarHBondContact O-CD2 2.69Å; I378-H568 VanDerWaalsContact O-CD2 3.22Å; I378-A571 HydrophobicContact CG2-CB 4.24Å
379	L	97	Very high	95.9	Very high	18 Å²	18	45 Å²	45	9%	0.094	22%	0.219	C	C	.	.	S	Bend	trans	-122.4	168.7	172.5	-68.3	179	0	0	0	110.8	C373 V381 A571 K572 L575	C373-L379 HydrophobicContact CB-CB 4.32Å; C373-L379 HydrophobicContact CB-CD1 3.87Å; C373-L379 HydrophobicContact CB-CG 3.92Å; C373-L379 PolarHBondContact O-N 2.87Å; L379-V381 PolarHBondContact O-N 2.74Å; L379-A571 HydrophobicContact CD1-CB 3.9Å; L379-A571 HydrophobicContact CD2-CB 4.03Å; L379-A571 HydrophobicContact CG-CB 3.95Å; L379-K572 HydrophobicContact CD2-CB 4.26Å; L379-L575 HydrophobicContact CD1-CD1 3.79Å
380	E	94.7	Very high	95.6	Very high	88 Å²	88	47.3 Å²	47.3	41%	0.411	24%	0.243	S	C	.	.	S	Bend	trans	58.3	17.6	171.8	-60.8	178.4	166.2	0	0	115.6	R370 T374 T382	R370-E380 IonicContact CZ-OE1 2.69Å; R370-E380 IonicContact NE-OE1 3.16Å; R370-E380 PolarHBondContact NE-OE1 2.81Å; R370-E380 IonicContact NH2-OE1 3.52Å; R370-E380 PolarHBondContact NH2-OE1 2.99Å; T374-E380 HydrophobicContact CG2-CB 4.39Å; T374-E380 WeakPolarHBondContact CG2-OE2 3.29Å; T374-E380 PolarHBondContact OG1-OE2 3.03Å; E380-T382 PolarHBondContact O-N 3.45Å
381	V	95.4	Very high	95.4	Very high	46 Å²	46	44.7 Å²	44.7	28%	0.279	23%	0.234	S	C	.	.			trans	-68.4	112.1	177.6	-171.3	0	0	0	0	110.9	R377 L379 M385 K386 M389	R377-V381 HydrophobicContact CB-CG2 4Å; R377-V381 VanDerWaalsContact O-CG2 3.29Å; R377-V381 WeakPolarHBondContact O-CG2 3.44Å; L379-V381 PolarHBondContact O-N 2.74Å; V381-M385 HydrophobicContact CG1-CB 4.05Å; V381-K386 HydrophobicContact CG1-CB 4.42Å; V381-M389 HydrophobicContact CG1-CE 3.73Å
382	T	94.2	Very high	95	Very high	59 Å²	59	46.8 Å²	46.8	36%	0.362	25%	0.25	S	C	.	.			trans	-78.5	162.8	175.8	72.3	0	0	0	0	112.3	E380 E384 M385 K386	E380-T382 PolarHBondContact O-N 3.45Å; T382-E384 PolarHBondContact O-N 3.36Å; T382-E384 PolarHBondContact OG1-N 2.85Å; T382-M385 HydrophobicContact CG2-SD 4.1Å; T382-M385 PolarHBondContact O-N 3.22Å; T382-M385 WeakPolarHBondContact OG1-CG 3.13Å; T382-M385 PolarHBondContact OG1-N 3.1Å; T382-M385 VanDerWaalsContact OG1-N 3.09Å; T382-K386 PolarHBondContact O-N 3.39Å
383	P	93.5	Very high	94.7	Very high	87 Å²	87	47.1 Å²	47.1	57%	0.565	25%	0.252	S	S	*	.	H	α-helix	trans	-55.1	-36.5	171	-25.1	35.6	0	0	0	112.8	K386 R387	P383-K386 PolarHBondContact O-N 3.22Å; P383-R387 WeakPolarHBondContact O-CB 3.28Å; P383-R387 PolarHBondContact O-N 2.98Å
384	E	92.4	Very high	94.7	Very high	88 Å²	88	47.1 Å²	47.1	41%	0.411	25%	0.252	S	S	.	.	H	α-helix	trans	-69	-40.1	179.1	-69.2	51.9	-114.2	0	0	111.3	T382 R387 K388	T382-E384 PolarHBondContact O-N 3.36Å; T382-E384 PolarHBondContact OG1-N 2.85Å; E384-R387 IonicContact OE1-CZ 3.14Å; E384-R387 IonicContact OE1-NH1 2.69Å; E384-R387 PolarHBondContact OE1-NH1 2.91Å; E384-R387 IonicContact OE1-NH2 3.89Å; E384-R387 PolarHBondContact OE1-NH2 2.91Å; E384-K388 WeakPolarHBondContact O-CB 3.43Å; E384-K388 WeakPolarHBondContact O-CG 3.25Å; E384-K388 PolarHBondContact O-N 3.37Å
385	M	93.4	Very high	94.6	Very high	55 Å²	55	45.3 Å²	45.3	27%	0.271	24%	0.24	S	C	.	.	H	α-helix	trans	-63.6	-48.5	172.1	-70.6	167.3	68.5	0	0	110.1	R377 V381 T382 R387 K388 M389	R377-M385 HydrophobicContact CB-CE 4.45Å; R377-M385 HydrophobicContact CG-CE 3.93Å; V381-M385 HydrophobicContact CG1-CB 4.05Å; T382-M385 HydrophobicContact CG2-SD 4.1Å; T382-M385 PolarHBondContact O-N 3.22Å; T382-M385 WeakPolarHBondContact OG1-CG 3.13Å; T382-M385 PolarHBondContact OG1-N 3.1Å; T382-M385 VanDerWaalsContact OG1-N 3.09Å; M385-R387 VanDerWaalsContact C-N 3.34Å; M385-R387 PolarHBondContact O-N 3.18Å; M385-K388 PolarHBondContact O-N 3.42Å; M385-M389 VanDerWaalsContact O-CG 3.23Å; M385-M389 WeakPolarHBondContact O-CG 3.14Å; M385-M389 PolarHBondContact O-N 2.96Å
386	K	92.3	Very high	94.5	Very high	118 Å²	118	47.1 Å²	47.1	51%	0.513	25%	0.248	S	C	.	.	H	α-helix	trans	-57.3	-45.8	177.5	-170	-174.8	173.4	-170.1	0	111.7	V381 T382 P383 M389 G390 V391	V381-K386 HydrophobicContact CG1-CB 4.42Å; T382-K386 PolarHBondContact O-N 3.39Å; P383-K386 PolarHBondContact O-N 3.22Å; K386-M389 PolarHBondContact O-N 2.84Å; K386-G390 PolarHBondContact O-N 3.13Å; K386-G390 VanDerWaalsContact O-N 3.1Å; K386-V391 WeakPolarHBondContact CG-O 3.34Å
387	R	91	Very high	94.5	Very high	117 Å²	117	47.4 Å²	47.4	44%	0.442	25%	0.249	S	C	.	.	H	α-helix	trans	-58.7	-47.7	176.2	-165.2	-172.4	-56.1	113.5	9.3	111.5	F317 P383 E384 M385 G390	F317-R387 HydrophobicContact CB-CG 4.13Å; F317-R387 HydrophobicContact CD2-CG 4.43Å; F317-R387 HydrophobicContact CG-CG 4.24Å; P383-R387 WeakPolarHBondContact O-CB 3.28Å; P383-R387 PolarHBondContact O-N 2.98Å; E384-R387 IonicContact OE1-CZ 3.14Å; E384-R387 IonicContact OE1-NH1 2.69Å; E384-R387 PolarHBondContact OE1-NH1 2.91Å; E384-R387 IonicContact OE1-NH2 3.89Å; E384-R387 PolarHBondContact OE1-NH2 2.91Å; M385-R387 VanDerWaalsContact C-N 3.34Å; M385-R387 PolarHBondContact O-N 3.18Å; R387-G390 PolarHBondContact O-N 3.33Å
388	K	91.2	Very high	94.4	Very high	111 Å²	111	46.7 Å²	46.7	48%	0.483	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-41.1	177.4	-75.6	178	177.6	-176.1	0	113.3	V320 E384 M385 G390	V320-K388 HydrophobicContact CB-CB 4.32Å; V320-K388 HydrophobicContact CB-CG 4.45Å; V320-K388 HydrophobicContact CG2-CB 4.36Å; V320-K388 HydrophobicContact CG2-CG 4.1Å; V320-K388 PolarHBondContact N-O 3.42Å; E384-K388 WeakPolarHBondContact O-CB 3.43Å; E384-K388 WeakPolarHBondContact O-CG 3.25Å; E384-K388 PolarHBondContact O-N 3.37Å; M385-K388 PolarHBondContact O-N 3.42Å; K388-G390 VanDerWaalsContact C-N 3.34Å
389	M	94.8	Very high	94.4	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-73.3	-26.3	-177.3	-65.2	-174.8	-55.5	0	0	113	R377 V381 M385 K386 V391 L397 H402	R377-M389 HydrophobicContact CB-SD 4.37Å; R377-M389 WeakPolarHBondContact CD-SD 3.43Å; R377-M389 HydrophobicContact CG-SD 4.47Å; V381-M389 HydrophobicContact CG1-CE 3.73Å; M385-M389 VanDerWaalsContact O-CG 3.23Å; M385-M389 WeakPolarHBondContact O-CG 3.14Å; M385-M389 PolarHBondContact O-N 2.96Å; K386-M389 PolarHBondContact O-N 2.84Å; M389-V391 HydrophobicContact CB-CG2 3.79Å; M389-V391 PolarHBondContact O-N 2.96Å; M389-L397 HydrophobicContact CB-CD2 4.27Å; M389-L397 HydrophobicContact CG-CD2 3.77Å; M389-L397 HydrophobicContact SD-CD2 3.79Å; M389-H402 PolarHBondContact O-NE2 3.29Å
390	G	93	Very high	94.3	Very high	49 Å²	49	50.8 Å²	50.8	51%	0.505	27%	0.27	S	S	.	.	S	Bend	trans	72.4	0.3	-170.2	0	0	0	0	0	114.4	K386 R387 K388	K386-G390 PolarHBondContact O-N 3.13Å; K386-G390 VanDerWaalsContact O-N 3.1Å; R387-G390 PolarHBondContact O-N 3.33Å; K388-G390 VanDerWaalsContact C-N 3.34Å
391	V	93.7	Very high	94.3	Very high	15 Å²	15	51.9 Å²	51.9	9%	0.091	29%	0.285	C	S	.	.	S	Bend	trans	-137.6	164.2	-172.8	-71	0	0	0	0	111.9	K386 M389 E396 L397 L400	K386-V391 WeakPolarHBondContact CG-O 3.34Å; M389-V391 HydrophobicContact CB-CG2 3.79Å; M389-V391 PolarHBondContact O-N 2.96Å; V391-E396 HydrophobicContact CB-CB 4.15Å; V391-E396 HydrophobicContact CB-CG 3.92Å; V391-E396 HydrophobicContact CG1-CG 3.91Å; V391-E396 HydrophobicContact CG2-CB 4.36Å; V391-L397 HydrophobicContact CG2-CB 3.76Å; V391-L397 HydrophobicContact CG2-CD1 4.25Å; V391-L400 HydrophobicContact CG1-CD1 3.63Å
392	S	89.4	Confident	94.2	Very high	54 Å²	54	51.7 Å²	51.7	38%	0.378	28%	0.281	S	S	.	.	S	Bend	trans	-79.4	-22.2	-168.9	70.3	0	0	0	0	114.9	E396	S392-E396 WeakPolarHBondContact CB-OE2 3.38Å; S392-E396 PolarHBondContact N-OE2 2.66Å; S392-E396 PolarHBondContact OG-OE2 3.04Å
393	S	93.9	Very high	94.3	Very high	7 Å²	7	48.9 Å²	48.9	5%	0.049	26%	0.264	C	S	.	.			trans	-155.2	156.9	-175.6	178.5	0	0	0	0	111.4	R377 M395 E396 L397	R377-S393 PolarHBondContact O-OG 2.77Å; R377-S393 VanDerWaalsContact O-OG 3.13Å; S393-M395 PolarHBondContact O-N 2.89Å; S393-M395 PolarHBondContact OG-N 3.31Å; S393-E396 WeakPolarHBondContact O-CB 3.35Å; S393-E396 PolarHBondContact O-N 2.9Å; S393-L397 PolarHBondContact O-N 2.9Å
394	G	97.4	Very high	94.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-33.4	170.6	0	0	0	0	0	113.5	A376 R377 E396 L397 L398	A376-G394 WeakPolarHBondContact O-CA 3.4Å; R377-G394 PolarHBondContact O-N 3.28Å; G394-E396 PolarHBondContact O-N 3.24Å; G394-L397 CarbonylContact O-C 3.59Å; G394-L397 WeakPolarHBondContact O-CA 3.35Å; G394-L397 WeakPolarHBondContact O-CB 3.48Å; G394-L397 PolarHBondContact O-N 3.39Å; G394-L398 WeakPolarHBondContact O-CG 3.37Å; G394-L398 PolarHBondContact O-N 2.98Å
395	M	96.6	Very high	94.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-30.3	177.3	-64.6	-62.7	94.1	0	0	113.3	A376 I378 S393 L398 F517 P518 V520 I560 Y567	A376-M395 HydrophobicContact CB-CE 3.84Å; I378-M395 HydrophobicContact CD1-CE 3.81Å; I378-M395 HydrophobicContact CD1-CG 4.12Å; I378-M395 HydrophobicContact CD1-SD 3.88Å; I378-M395 HydrophobicContact CG1-CE 3.9Å; I378-M395 HydrophobicContact CG1-CG 3.87Å; I378-M395 HydrophobicContact CG1-SD 4.21Å; S393-M395 PolarHBondContact O-N 2.89Å; S393-M395 PolarHBondContact OG-N 3.31Å; M395-L398 HydrophobicContact CE-CD1 3.55Å; M395-L398 HydrophobicContact CE-CG 4.38Å; M395-L398 HydrophobicContact SD-CD1 4.39Å; M395-F517 HydrophobicContact CE-CD1 4.5Å; M395-F517 HydrophobicContact CE-CE1 3.87Å; M395-F517 HydrophobicContact CE-CZ 4.28Å; M395-F517 HydrophobicContact SD-CD1 4.44Å; M395-F517 HydrophobicContact SD-CE1 4.28Å; M395-P518 HydrophobicContact SD-CG 3.87Å; M395-V520 HydrophobicContact SD-CG1 4.21Å; M395-I560 HydrophobicContact CB-CG2 4.01Å; M395-I560 HydrophobicContact CG-CG2 4.38Å; M395-I560 HydrophobicContact SD-CG2 4.02Å; M395-Y567 HydrophobicContact CG-CD2 4.18Å
396	E	96.1	Very high	94.9	Very high	59 Å²	59	43.8 Å²	43.8	28%	0.276	23%	0.232	S	C	.	.	H	α-helix	trans	-76.2	-48.9	173.4	-164.6	178	176.7	0	0	109.4	V391 S392 S393 G394 L398 T399	V391-E396 HydrophobicContact CB-CB 4.15Å; V391-E396 HydrophobicContact CB-CG 3.92Å; V391-E396 HydrophobicContact CG1-CG 3.91Å; V391-E396 HydrophobicContact CG2-CB 4.36Å; S392-E396 WeakPolarHBondContact CB-OE2 3.38Å; S392-E396 PolarHBondContact N-OE2 2.66Å; S392-E396 PolarHBondContact OG-OE2 3.04Å; S393-E396 WeakPolarHBondContact O-CB 3.35Å; S393-E396 PolarHBondContact O-N 2.9Å; G394-E396 PolarHBondContact O-N 3.24Å; E396-L398 VanDerWaalsContact C-N 3.31Å; E396-L398 PolarHBondContact O-N 3.22Å; E396-T399 PolarHBondContact O-N 2.9Å; E396-T399 VanDerWaalsContact O-N 3.14Å; E396-T399 PolarHBondContact O-OG1 3.07Å
397	L	97.6	Very high	95.2	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-56.7	-37.9	178.6	-175.4	61.4	0	0	0	113.4	M389 V391 S393 G394 T399 L400 H402 G403 L406	M389-L397 HydrophobicContact CB-CD2 4.27Å; M389-L397 HydrophobicContact CG-CD2 3.77Å; M389-L397 HydrophobicContact SD-CD2 3.79Å; V391-L397 HydrophobicContact CG2-CB 3.76Å; V391-L397 HydrophobicContact CG2-CD1 4.25Å; S393-L397 PolarHBondContact O-N 2.9Å; G394-L397 CarbonylContact O-C 3.59Å; G394-L397 WeakPolarHBondContact O-CA 3.35Å; G394-L397 WeakPolarHBondContact O-CB 3.48Å; G394-L397 PolarHBondContact O-N 3.39Å; L397-T399 PolarHBondContact O-N 3.21Å; L397-T399 VanDerWaalsContact O-N 3.07Å; L397-L400 PolarHBondContact O-N 3.34Å; L397-H402 WeakPolarHBondContact CD1-NE2 3.45Å; L397-G403 WeakPolarHBondContact O-CA 3.13Å; L397-L406 HydrophobicContact CB-CD2 4.41Å; L397-L406 HydrophobicContact CD2-CB 4.37Å; L397-L406 HydrophobicContact CD2-CD2 3.98Å; L397-L406 HydrophobicContact CG-CD2 4.45Å
398	L	97.6	Very high	95.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.3	179.2	-71	-177.1	0	0	0	113	G394 M395 E396 L406 R407 L410 V520 L524	G394-L398 WeakPolarHBondContact O-CG 3.37Å; G394-L398 PolarHBondContact O-N 2.98Å; M395-L398 HydrophobicContact CE-CD1 3.55Å; M395-L398 HydrophobicContact CE-CG 4.38Å; M395-L398 HydrophobicContact SD-CD1 4.39Å; E396-L398 VanDerWaalsContact C-N 3.31Å; E396-L398 PolarHBondContact O-N 3.22Å; L398-L406 HydrophobicContact CD2-CB 4.29Å; L398-L406 HydrophobicContact CD2-CD2 3.86Å; L398-L406 HydrophobicContact CD2-CG 3.75Å; L398-L406 HydrophobicContact CG-CD2 4.35Å; L398-R407 HydrophobicContact CD2-CG 3.77Å; L398-R407 WeakPolarHBondContact O-CD 3.5Å; L398-R407 PolarHBondContact O-NH1 3.02Å; L398-L410 HydrophobicContact CD1-CD1 4Å; L398-L410 HydrophobicContact CD2-CD1 3.78Å; L398-L410 HydrophobicContact CG-CD1 4.49Å; L398-V520 HydrophobicContact CD1-CB 4.22Å; L398-V520 HydrophobicContact CD1-CG1 3.99Å; L398-V520 HydrophobicContact CD1-CG2 4.34Å; L398-L524 HydrophobicContact CD1-CD2 4.16Å; L398-L524 HydrophobicContact CD2-CD2 3.9Å
399	T	96.2	Very high	95.7	Very high	50 Å²	50	30.9 Å²	30.9	31%	0.307	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-8.8	179.5	66.2	0	0	0	0	114.5	E396 L397 L523 A557 A561	E396-T399 PolarHBondContact O-N 2.9Å; E396-T399 VanDerWaalsContact O-N 3.14Å; E396-T399 PolarHBondContact O-OG1 3.07Å; L397-T399 PolarHBondContact O-N 3.21Å; L397-T399 VanDerWaalsContact O-N 3.07Å; T399-L523 HydrophobicContact CG2-CD2 4.34Å; T399-A557 HydrophobicContact CG2-CB 4.19Å; T399-A561 HydrophobicContact CG2-CB 3.97Å
400	L	95.9	Very high	95.9	Very high	56 Å²	56	30.8 Å²	30.8	29%	0.293	18%	0.181	S	C	.	.	S	Bend	trans	-102	153.3	-173.1	-57.2	-178	0	0	0	111.8	V391 L397 H402 G403 R407	V391-L400 HydrophobicContact CG1-CD1 3.63Å; L397-L400 PolarHBondContact O-N 3.34Å; L400-H402 PolarHBondContact O-N 3.03Å; L400-G403 PolarHBondContact O-N 3.28Å; L400-R407 PolarHBondContact O-NH1 3.32Å
401	P	94.2	Very high	96.1	Very high	112 Å²	112	30.3 Å²	30.3	73%	0.727	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-56	-47.2	-177.4	-27.1	35.7	0	0	0	113.2	G403 Q404	P401-G403 PolarHBondContact O-N 2.88Å; P401-G403 VanDerWaalsContact O-N 3.16Å; P401-Q404 PolarHBondContact O-N 2.88Å
402	H	94.5	Very high	96.2	Very high	41 Å²	41	30.2 Å²	30.2	19%	0.19	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-71.3	-5.2	180	66.5	-66.9	0	0	0	114.5	V321 M389 L397 L400 Q404	V321-H402 HydrophobicContact CB-CB 4.37Å; V321-H402 HydrophobicContact CG1-CB 4.29Å; V321-H402 HydrophobicContact CG2-CB 3.92Å; M389-H402 PolarHBondContact O-NE2 3.29Å; L397-H402 WeakPolarHBondContact CD1-NE2 3.45Å; L400-H402 PolarHBondContact O-N 3.03Å; H402-Q404 PolarHBondContact O-N 3.49Å
403	G	96.2	Very high	96.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-75.8	1.4	170.4	0	0	0	0	0	115.3	L397 L400 P401 Q405 L406 R407	L397-G403 WeakPolarHBondContact O-CA 3.13Å; L400-G403 PolarHBondContact O-N 3.28Å; P401-G403 PolarHBondContact O-N 2.88Å; P401-G403 VanDerWaalsContact O-N 3.16Å; G403-Q405 PolarHBondContact O-N 2.81Å; G403-L406 PolarHBondContact O-N 3.47Å; G403-R407 PolarHBondContact O-N 3.17Å; G403-R407 VanDerWaalsContact O-N 3.09Å
404	Q	96.2	Very high	96.9	Very high	101 Å²	101	27.7 Å²	27.7	47%	0.472	15%	0.146	S	C	.	.	H	α-helix	trans	-48.3	-50.6	-178.9	172.5	157	57.7	0	0	113.4	P401 H402 L406 R407 L408 E528	P401-Q404 PolarHBondContact O-N 2.88Å; H402-Q404 PolarHBondContact O-N 3.49Å; Q404-L406 VanDerWaalsContact C-N 3.27Å; Q404-L406 PolarHBondContact O-N 3.05Å; Q404-R407 VanDerWaalsContact CA-NH2 3.3Å; Q404-R407 WeakPolarHBondContact O-CB 3.41Å; Q404-R407 PolarHBondContact O-N 3.4Å; Q404-L408 HydrophobicContact CG-CD1 3.91Å; Q404-L408 HydrophobicContact CG-CG 4.33Å; Q404-L408 WeakPolarHBondContact O-CG 3.5Å; Q404-L408 PolarHBondContact O-N 3.45Å; Q404-E528 WeakPolarHBondContact CG-OE2 3.4Å; Q404-E528 PolarHBondContact NE2-OE2 3.41Å
405	Q	96.9	Very high	96.8	Very high	21 Å²	21	29.9 Å²	29.9	10%	0.098	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-35.2	-178.6	-170.7	59.5	73.6	0	0	112.7	E322 A324 S325 G403 L408 D409	E322-Q405 HydrophobicContact CB-CB 3.84Å; E322-Q405 HydrophobicContact CB-CG 4.22Å; E322-Q405 WeakPolarHBondContact O-CB 3.25Å; A324-Q405 VanDerWaalsContact C-OE1 3.25Å; A324-Q405 VanDerWaalsContact N-OE1 3.09Å; S325-Q405 VanDerWaalsContact N-CD 3.33Å; G403-Q405 PolarHBondContact O-N 2.81Å; Q405-L408 PolarHBondContact O-N 2.88Å; Q405-D409 PolarHBondContact NE2-OD1 3.22Å; Q405-D409 WeakPolarHBondContact O-CB 3.31Å; Q405-D409 PolarHBondContact O-N 2.91Å
406	L	98	Very high	96.9	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-69	-34.9	175.1	-176.6	61.2	0	0	0	111.9	V375 R377 L397 L398 G403 Q404 L410	V375-L406 VanDerWaalsContact O-CD1 3.29Å; V375-L406 WeakPolarHBondContact O-CD1 3.4Å; R377-L406 HydrophobicContact CG-CD1 4.37Å; R377-L406 HydrophobicContact CG-CD2 4.46Å; L397-L406 HydrophobicContact CB-CD2 4.41Å; L397-L406 HydrophobicContact CD2-CB 4.37Å; L397-L406 HydrophobicContact CD2-CD2 3.98Å; L397-L406 HydrophobicContact CG-CD2 4.45Å; L398-L406 HydrophobicContact CD2-CB 4.29Å; L398-L406 HydrophobicContact CD2-CD2 3.86Å; L398-L406 HydrophobicContact CD2-CG 3.75Å; L398-L406 HydrophobicContact CG-CD2 4.35Å; G403-L406 PolarHBondContact O-N 3.47Å; Q404-L406 VanDerWaalsContact C-N 3.27Å; Q404-L406 PolarHBondContact O-N 3.05Å; L406-L410 WeakPolarHBondContact O-CG 3.4Å; L406-L410 PolarHBondContact O-N 3.49Å
407	R	97.9	Very high	97	Very high	14 Å²	14	27.2 Å²	27.2	5%	0.053	14%	0.144	C	C	.	.	H	α-helix	trans	-65.2	-45.2	173.2	-66	-168.8	-69.7	-87.7	-6.4	111.5	L398 L400 G403 Q404 L410 L411 L524 E528	L398-R407 HydrophobicContact CD2-CG 3.77Å; L398-R407 WeakPolarHBondContact O-CD 3.5Å; L398-R407 PolarHBondContact O-NH1 3.02Å; L400-R407 PolarHBondContact O-NH1 3.32Å; G403-R407 PolarHBondContact O-N 3.17Å; G403-R407 VanDerWaalsContact O-N 3.09Å; Q404-R407 VanDerWaalsContact CA-NH2 3.3Å; Q404-R407 WeakPolarHBondContact O-CB 3.41Å; Q404-R407 PolarHBondContact O-N 3.4Å; R407-L410 PolarHBondContact O-N 3.05Å; R407-L411 WeakPolarHBondContact O-CG 3.35Å; R407-L411 PolarHBondContact O-N 3.34Å; R407-L524 HydrophobicContact CB-CD2 4.03Å; R407-L524 HydrophobicContact CG-CD2 3.77Å; R407-E528 HydrophobicContact CB-CG 3.62Å; R407-E528 IonicContact CZ-OE1 3.04Å; R407-E528 IonicContact NE-OE1 3.17Å; R407-E528 PolarHBondContact NE-OE1 3.27Å; R407-E528 IonicContact NH2-OE1 3.64Å; R407-E528 PolarHBondContact NH2-OE1 3.11Å
408	L	96.4	Very high	97	Very high	59 Å²	59	27 Å²	27	31%	0.309	14%	0.143	S	C	.	.	H	α-helix	trans	-63.4	-40.6	176.5	-64.8	174.3	0	0	0	112.2	Q404 Q405 L411 E412 E528	Q404-L408 HydrophobicContact CG-CD1 3.91Å; Q404-L408 HydrophobicContact CG-CG 4.33Å; Q404-L408 WeakPolarHBondContact O-CG 3.5Å; Q404-L408 PolarHBondContact O-N 3.45Å; Q405-L408 PolarHBondContact O-N 2.88Å; L408-L411 PolarHBondContact O-N 2.96Å; L408-E412 PolarHBondContact O-N 3.18Å; L408-E528 HydrophobicContact CD2-CB 4.21Å; L408-E528 HydrophobicContact CD2-CG 4.07Å; L408-E528 HydrophobicContact CG-CG 4.46Å
409	D	97.9	Very high	97	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.011	14%	0.144	C	C	.	.	H	α-helix	trans	-67	-38.6	177.3	-71	-4.7	0	0	0	111.7	S325 C326 F327 Q405 R413	S325-D409 VanDerWaalsContact CA-OD1 3.3Å; S325-D409 WeakPolarHBondContact CA-OD1 3.43Å; S325-D409 WeakPolarHBondContact CB-OD1 3.42Å; S325-D409 VanDerWaalsContact OG-CG 3.27Å; S325-D409 PolarHBondContact OG-OD1 3.02Å; C326-D409 PolarHBondContact N-OD2 3.31Å; C326-D409 PolarHBondContact SG-OD2 3.02Å; F327-D409 HydrophobicContact CE2-CB 3.92Å; F327-D409 VanDerWaalsContact CE2-O 3.28Å; F327-D409 WeakPolarHBondContact CE2-O 3.36Å; F327-D409 HydrophobicContact CZ-CB 4.32Å; Q405-D409 PolarHBondContact NE2-OD1 3.22Å; Q405-D409 WeakPolarHBondContact O-CB 3.31Å; Q405-D409 PolarHBondContact O-N 2.91Å; D409-R413 WeakPolarHBondContact O-CB 3.46Å; D409-R413 PolarHBondContact O-N 3.45Å
410	L	98.5	Very high	97	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-67.7	-36.3	172.6	-72.4	179	0	0	0	112.7	V375 A376 L398 L406 R407 R413 F414 F457 F517 L524	V375-L410 HydrophobicContact CG1-CD2 3.9Å; A376-L410 HydrophobicContact CB-CD1 4.3Å; A376-L410 HydrophobicContact CB-CD2 3.97Å; L398-L410 HydrophobicContact CD1-CD1 4Å; L398-L410 HydrophobicContact CD2-CD1 3.78Å; L398-L410 HydrophobicContact CG-CD1 4.49Å; L406-L410 WeakPolarHBondContact O-CG 3.4Å; L406-L410 PolarHBondContact O-N 3.49Å; R407-L410 PolarHBondContact O-N 3.05Å; L410-R413 PolarHBondContact O-N 3.3Å; L410-F414 VanDerWaalsContact O-CB 3.27Å; L410-F414 WeakPolarHBondContact O-CB 3.48Å; L410-F414 PolarHBondContact O-N 3.1Å; L410-F457 HydrophobicContact CB-CE2 4.08Å; L410-F457 HydrophobicContact CB-CZ 4.23Å; L410-F457 HydrophobicContact CD2-CE1 4.39Å; L410-F457 HydrophobicContact CD2-CE2 4.3Å; L410-F457 HydrophobicContact CD2-CZ 3.97Å; L410-F457 WeakPolarHBondContact O-CZ 3.29Å; L410-F517 HydrophobicContact CD1-CZ 4.17Å; L410-F517 HydrophobicContact CD2-CZ 4.11Å; L410-L524 HydrophobicContact CB-CD1 3.57Å; L410-L524 HydrophobicContact CD1-CD1 4.24Å; L410-L524 HydrophobicContact CD1-CD2 4.34Å
411	L	96.9	Very high	97.1	Very high	39 Å²	39	23.4 Å²	23.4	20%	0.204	12%	0.122	C	C	.	.	H	α-helix	trans	-66	-43.4	174.6	-72.2	168.4	0	0	0	112	R407 L408 R413 F414 Q415 L521 L524 E528	R407-L411 WeakPolarHBondContact O-CG 3.35Å; R407-L411 PolarHBondContact O-N 3.34Å; L408-L411 PolarHBondContact O-N 2.96Å; L411-R413 VanDerWaalsContact C-N 3.35Å; L411-R413 PolarHBondContact O-N 3.16Å; L411-F414 PolarHBondContact O-N 3.41Å; L411-Q415 PolarHBondContact O-N 2.89Å; L411-Q415 VanDerWaalsContact O-N 3.11Å; L411-L521 HydrophobicContact CD2-CD1 3.96Å; L411-L524 HydrophobicContact CD1-CB 4.29Å; L411-L524 HydrophobicContact CD2-CB 3.87Å; L411-L524 HydrophobicContact CD2-CD1 4.32Å; L411-L524 HydrophobicContact CG-CB 4Å; L411-L524 HydrophobicContact CG-CD1 4.31Å; L411-E528 HydrophobicContact CD1-CB 4Å; L411-E528 HydrophobicContact CD1-CG 4.33Å
412	E	96.9	Very high	97.2	Very high	12 Å²	12	18.1 Å²	18.1	6%	0.056	9%	0.088	C	C	.	.	H	α-helix	trans	-59.7	-45.7	173.4	-176.8	67.2	-113.9	0	0	111.3	F327 L408 T416 M594 Q607 R610 Y611	F327-E412 HydrophobicContact CD2-CG 4.26Å; F327-E412 HydrophobicContact CE2-CB 4.3Å; F327-E412 HydrophobicContact CE2-CG 4.42Å; L408-E412 PolarHBondContact O-N 3.18Å; E412-T416 WeakPolarHBondContact O-CB 3.49Å; E412-T416 PolarHBondContact O-N 3.31Å; E412-T416 PolarHBondContact O-OG1 3.3Å; E412-T416 PolarHBondContact OE1-OG1 3.35Å; E412-M594 HydrophobicContact CG-CE 4.28Å; E412-M594 HydrophobicContact CG-SD 4.37Å; E412-Q607 WeakPolarHBondContact OE2-CG 3.48Å; E412-Q607 PolarHBondContact OE2-NE2 2.94Å; E412-R610 IonicContact OE1-CZ 3.95Å; E412-R610 IonicContact OE1-NH1 2.74Å; E412-R610 PolarHBondContact OE1-NH1 3.19Å; E412-R610 IonicContact OE1-NH2 2.98Å; E412-R610 IonicContact OE2-CZ 3.54Å; E412-R610 IonicContact OE2-NH1 3.47Å; E412-R610 PolarHBondContact OE2-NH1 2.77Å; E412-R610 IonicContact OE2-NH2 2.71Å; E412-R610 PolarHBondContact OE2-NH2 3.33Å; E412-Y611 WeakPolarHBondContact OE1-CE2 3.43Å; E412-Y611 PolarHBondContact OE1-OH 2.85Å
413	R	98.3	Very high	97.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.4	-45.1	178.7	177.9	164.7	-179.9	69.2	13.2	112.4	F327 T371 D372 D409 L410 L411 T416 M417 F457 F588 T590	F327-R413 HydrophobicContact CE2-CB 4.37Å; F327-R413 HydrophobicContact CZ-CB 4.1Å; T371-R413 VanDerWaalsContact CG2-CZ 3.44Å; D372-R413 IonicContact OD1-CZ 3.16Å; D372-R413 IonicContact OD1-NE 3.41Å; D372-R413 PolarHBondContact OD1-NE 3.05Å; D372-R413 IonicContact OD1-NH2 3.99Å; D372-R413 PolarHBondContact OD1-NH2 3.36Å; D409-R413 WeakPolarHBondContact O-CB 3.46Å; D409-R413 PolarHBondContact O-N 3.45Å; L410-R413 PolarHBondContact O-N 3.3Å; L411-R413 VanDerWaalsContact C-N 3.35Å; L411-R413 PolarHBondContact O-N 3.16Å; R413-T416 PolarHBondContact O-N 2.93Å; R413-M417 VanDerWaalsContact O-CB 3.3Å; R413-M417 WeakPolarHBondContact O-CB 3.42Å; R413-M417 PolarHBondContact O-N 2.79Å; R413-F457 HydrophobicContact CG-CE1 4.45Å; R413-F588 PolarHBondContact NH1-O 2.82Å; R413-F588 PolarHBondContact NH2-O 2.87Å; R413-T590 HydrophobicContact CB-CG2 4.22Å; R413-T590 WeakPolarHBondContact CD-OG1 3.48Å; R413-T590 PolarHBondContact NH1-OG1 3.39Å
414	F	98.3	Very high	97.3	Very high	9 Å²	9	17.5 Å²	17.5	4%	0.039	9%	0.086	C	C	.	.	H	α-helix	trans	-56.1	-53	178.1	178.2	-89.8	0	0	0	111.1	L410 L411 M417 A418 F457 A460 A461 R464 L521	L410-F414 VanDerWaalsContact O-CB 3.27Å; L410-F414 WeakPolarHBondContact O-CB 3.48Å; L410-F414 PolarHBondContact O-N 3.1Å; L411-F414 PolarHBondContact O-N 3.41Å; F414-M417 PolarHBondContact O-N 2.81Å; F414-A418 WeakPolarHBondContact O-CB 3.4Å; F414-A418 PolarHBondContact O-N 3.3Å; F414-F457 HydrophobicContact CB-CE2 4.02Å; F414-F457 HydrophobicContact CB-CZ 3.88Å; F414-F457 HydrophobicContact CD2-CE2 4.17Å; F414-F457 HydrophobicContact CD2-CZ 4.46Å; F414-A460 HydrophobicContact CE2-CB 3.87Å; F414-A461 HydrophobicContact CD2-CB 3.71Å; F414-A461 VanDerWaalsContact CE2-CA 3.48Å; F414-A461 HydrophobicContact CE2-CB 3.8Å; F414-A461 VanDerWaalsContact CE2-N 3.31Å; F414-A461 HydrophobicContact CG-CB 4.37Å; F414-R464 HydrophobicContact CE1-CB 4.12Å; F414-R464 HydrophobicContact CE1-CG 3.99Å; F414-R464 HydrophobicContact CZ-CB 3.87Å; F414-R464 HydrophobicContact CZ-CG 4.26Å; F414-L521 HydrophobicContact CD1-CD1 4.07Å; F414-L521 HydrophobicContact CD2-CD1 4Å; F414-L521 HydrophobicContact CD2-CD2 4.35Å; F414-L521 HydrophobicContact CE1-CD1 4.21Å; F414-L521 HydrophobicContact CE1-CD2 3.95Å; F414-L521 HydrophobicContact CE2-CD1 4.13Å; F414-L521 HydrophobicContact CE2-CD2 3.63Å; F414-L521 HydrophobicContact CE2-CG 4.39Å; F414-L521 HydrophobicContact CG-CD1 3.99Å; F414-L521 HydrophobicContact CZ-CD1 4.25Å; F414-L521 HydrophobicContact CZ-CD2 3.41Å; F414-L521 VanDerWaalsContact CZ-CD2 3.41Å; F414-L521 HydrophobicContact CZ-CG 4.45Å
415	Q	96.2	Very high	97.3	Very high	45 Å²	45	12.8 Å²	12.8	21%	0.21	6%	0.064	C	C	.	.	H	α-helix	trans	-73	-35.5	-176.5	-168.8	71.5	-6.6	0	0	112.1	L411 T419 Y611	L411-Q415 PolarHBondContact O-N 2.89Å; L411-Q415 VanDerWaalsContact O-N 3.11Å; Q415-T419 VanDerWaalsContact O-CB 3.27Å; Q415-T419 WeakPolarHBondContact O-CB 3.43Å; Q415-T419 PolarHBondContact O-N 2.7Å; Q415-T419 PolarHBondContact O-OG1 3.47Å; Q415-Y611 HydrophobicContact CB-CE1 4.09Å; Q415-Y611 HydrophobicContact CB-CE2 4.31Å; Q415-Y611 HydrophobicContact CG-CD1 3.75Å; Q415-Y611 HydrophobicContact CG-CD2 4.3Å; Q415-Y611 HydrophobicContact CG-CE1 3.33Å; Q415-Y611 HydrophobicContact CG-CE2 3.95Å; Q415-Y611 HydrophobicContact CG-CG 4.24Å; Q415-Y611 VanDerWaalsContact CG-CZ 3.46Å
416	T	98.1	Very high	97.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.6	-47.9	173.9	-65.4	0	0	0	0	110.7	E412 R413 T419 M420 T590 Q593 M594 L597 W598 Y611	E412-T416 WeakPolarHBondContact O-CB 3.49Å; E412-T416 PolarHBondContact O-N 3.31Å; E412-T416 PolarHBondContact O-OG1 3.3Å; E412-T416 PolarHBondContact OE1-OG1 3.35Å; R413-T416 PolarHBondContact O-N 2.93Å; T416-T419 PolarHBondContact O-N 3.03Å; T416-M420 WeakPolarHBondContact O-CB 3.36Å; T416-M420 PolarHBondContact O-N 3.27Å; T416-T590 HydrophobicContact CG2-CG2 4.13Å; T416-Q593 HydrophobicContact CG2-CB 3.41Å; T416-Q593 VanDerWaalsContact CG2-CB 3.41Å; T416-M594 HydrophobicContact CG2-CG 4.14Å; T416-L597 HydrophobicContact CG2-CD1 4.15Å; T416-W598 HydrophobicContact CG2-CZ3 4.4Å; T416-Y611 PolarHBondContact N-OH 2.97Å; T416-Y611 VanDerWaalsContact N-OH 3.15Å; T416-Y611 PolarHBondContact OG1-OH 2.76Å
417	M	98	Very high	96.9	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.015	8%	0.078	C	C	.	.	H	α-helix	trans	-67.4	-40.9	-178.9	-174.9	159.6	68.5	0	0	112.1	I368 R413 F414 T419 M420 L421 A461	I368-M417 HydrophobicContact CG1-SD 4.09Å; I368-M417 HydrophobicContact CG2-CE 3.79Å; I368-M417 HydrophobicContact CG2-SD 4Å; R413-M417 VanDerWaalsContact O-CB 3.3Å; R413-M417 WeakPolarHBondContact O-CB 3.42Å; R413-M417 PolarHBondContact O-N 2.79Å; F414-M417 PolarHBondContact O-N 2.81Å; M417-T419 VanDerWaalsContact C-N 3.34Å; M417-T419 PolarHBondContact O-N 3.13Å; M417-M420 PolarHBondContact O-N 3.33Å; M417-L421 HydrophobicContact CG-CD1 4.24Å; M417-L421 WeakPolarHBondContact O-CG 3.26Å; M417-L421 PolarHBondContact O-N 3.02Å; M417-A461 HydrophobicContact CE-CB 3.69Å
418	A	97.9	Very high	96.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61	-44	173.6	0	0	0	0	0	111.7	F414 L421 A422 A461 R464 A465	F414-A418 WeakPolarHBondContact O-CB 3.4Å; F414-A418 PolarHBondContact O-N 3.3Å; A418-L421 PolarHBondContact O-N 2.74Å; A418-A422 PolarHBondContact O-N 3.01Å; A418-A461 WeakPolarHBondContact CB-O 3.24Å; A418-R464 HydrophobicContact CB-CB 4.17Å; A418-R464 HydrophobicContact CB-CG 3.92Å; A418-A465 HydrophobicContact CB-CB 4.37Å; A418-A465 VanDerWaalsContact O-CB 3.28Å; A418-A465 WeakPolarHBondContact O-CB 3.16Å
419	T	96.9	Very high	96.1	Very high	4 Å²	4	15.1 Å²	15.1	3%	0.025	9%	0.092	C	C	.	.	H	α-helix	trans	-62.9	-43.1	176.5	-58.3	0	0	0	0	111.7	Q415 T416 M417 L421 A422 V423 L597 F614 L618	Q415-T419 VanDerWaalsContact O-CB 3.27Å; Q415-T419 WeakPolarHBondContact O-CB 3.43Å; Q415-T419 PolarHBondContact O-N 2.7Å; Q415-T419 PolarHBondContact O-OG1 3.47Å; T416-T419 PolarHBondContact O-N 3.03Å; M417-T419 VanDerWaalsContact C-N 3.34Å; M417-T419 PolarHBondContact O-N 3.13Å; T419-L421 PolarHBondContact O-N 2.98Å; T419-A422 PolarHBondContact O-N 3.42Å; T419-V423 WeakPolarHBondContact O-CG2 3.37Å; T419-V423 PolarHBondContact O-N 3.22Å; T419-L597 HydrophobicContact CG2-CD1 3.78Å; T419-L597 HydrophobicContact CG2-CD2 4.09Å; T419-F614 HydrophobicContact CG2-CD1 3.54Å; T419-F614 HydrophobicContact CG2-CE1 3.58Å; T419-L618 HydrophobicContact CG2-CD1 4.45Å
420	M	97.3	Very high	95.7	Very high	9 Å²	9	16.8 Å²	16.8	4%	0.044	11%	0.109	C	C	.	.	H	α-helix	trans	-62.1	-42.5	178.1	179	59.1	-165.3	0	0	112.4	V352 T416 M417 V423 N424 Q593 L596 L597	V352-M420 HydrophobicContact CG1-CE 3.72Å; T416-M420 WeakPolarHBondContact O-CB 3.36Å; T416-M420 PolarHBondContact O-N 3.27Å; M417-M420 PolarHBondContact O-N 3.33Å; M420-V423 PolarHBondContact O-N 3Å; M420-N424 PolarHBondContact O-N 3.47Å; M420-Q593 HydrophobicContact CB-CG 4.27Å; M420-Q593 HydrophobicContact CG-CG 3.97Å; M420-L596 HydrophobicContact CE-CD2 3.62Å; M420-L596 HydrophobicContact SD-CD2 3.86Å; M420-L597 HydrophobicContact SD-CD2 4.46Å
421	L	97.4	Very high	95.5	Very high	19 Å²	19	20.3 Å²	20.3	10%	0.099	13%	0.131	C	C	.	.	H	α-helix	trans	-67.2	-40	176.8	-69.7	167.5	0	0	0	111.9	M417 A418 T419 N424 V425 V462 A465	M417-L421 HydrophobicContact CG-CD1 4.24Å; M417-L421 WeakPolarHBondContact O-CG 3.26Å; M417-L421 PolarHBondContact O-N 3.02Å; A418-L421 PolarHBondContact O-N 2.74Å; T419-L421 PolarHBondContact O-N 2.98Å; L421-N424 WeakPolarHBondContact O-CB 3.31Å; L421-N424 PolarHBondContact O-N 2.91Å; L421-V425 PolarHBondContact O-N 3.27Å; L421-V462 HydrophobicContact CD1-CB 4.22Å; L421-V462 HydrophobicContact CD1-CG1 4.32Å; L421-V462 HydrophobicContact CD1-CG2 3.74Å; L421-A465 HydrophobicContact CB-CB 3.7Å; L421-A465 HydrophobicContact CD1-CB 4.43Å
422	A	97.1	Very high	95.5	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-63.3	-41.3	172.7	0	0	0	0	0	112.1	A418 T419 N424 V425 L426 L468 V471	A418-A422 PolarHBondContact O-N 3.01Å; T419-A422 PolarHBondContact O-N 3.42Å; A422-N424 VanDerWaalsContact C-N 3.3Å; A422-N424 PolarHBondContact O-N 2.84Å; A422-V425 PolarHBondContact O-N 3.17Å; A422-L426 VanDerWaalsContact O-CB 3.29Å; A422-L426 WeakPolarHBondContact O-CB 3.37Å; A422-L426 VanDerWaalsContact O-CG 3.25Å; A422-L426 WeakPolarHBondContact O-CG 3.41Å; A422-L426 PolarHBondContact O-N 3.44Å; A422-L468 HydrophobicContact CB-CD1 3.7Å; A422-V471 HydrophobicContact CB-CG2 3.79Å
423	V	96.8	Very high	95.5	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-61.2	-36.3	172.8	164.2	0	0	0	0	112.2	L344 L349 T419 M420 G427 L597 F614 L618	L344-V423 HydrophobicContact CD2-CG1 3.61Å; L344-V423 HydrophobicContact CD2-CG2 4.28Å; L349-V423 HydrophobicContact CD2-CG1 4.14Å; T419-V423 WeakPolarHBondContact O-CG2 3.37Å; T419-V423 PolarHBondContact O-N 3.22Å; M420-V423 PolarHBondContact O-N 3Å; V423-G427 WeakPolarHBondContact O-CA 3.49Å; V423-G427 PolarHBondContact O-N 3.15Å; V423-L597 HydrophobicContact CB-CD2 4.16Å; V423-L597 HydrophobicContact CG1-CD2 4.4Å; V423-L597 HydrophobicContact CG2-CD2 3.65Å; V423-F614 HydrophobicContact CG2-CE1 3.67Å; V423-F614 HydrophobicContact CG2-CZ 4.09Å; V423-L618 HydrophobicContact CG2-CD2 3.58Å
424	N	94.7	Very high	95.4	Very high	25 Å²	25	28.8 Å²	28.8	13%	0.134	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-45.1	175.9	-166.1	8.3	0	0	0	111.4	M420 L421 A422 C428 L438	M420-N424 PolarHBondContact O-N 3.47Å; L421-N424 WeakPolarHBondContact O-CB 3.31Å; L421-N424 PolarHBondContact O-N 2.91Å; A422-N424 VanDerWaalsContact C-N 3.3Å; A422-N424 PolarHBondContact O-N 2.84Å; N424-C428 PolarHBondContact O-N 2.61Å; N424-L438 WeakPolarHBondContact O-CD2 3.05Å
425	V	95.9	Very high	95.3	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-65.7	-46.7	175.7	177.8	0	0	0	0	111.6	L421 A422 G427 C428 R435 L438 L439 V442 V471 L474	L421-V425 PolarHBondContact O-N 3.27Å; A422-V425 PolarHBondContact O-N 3.17Å; V425-G427 VanDerWaalsContact C-N 3.34Å; V425-G427 PolarHBondContact O-N 3.32Å; V425-C428 VanDerWaalsContact O-CB 3.31Å; V425-C428 WeakPolarHBondContact O-CB 3.47Å; V425-C428 PolarHBondContact O-N 3.08Å; V425-C428 VanDerWaalsContact O-N 3.16Å; V425-R435 HydrophobicContact CG1-CG 4.23Å; V425-L438 HydrophobicContact CG2-CG 4.5Å; V425-L439 HydrophobicContact CG1-CD1 4.43Å; V425-L439 HydrophobicContact CG2-CD1 4.42Å; V425-V442 HydrophobicContact CG2-CG2 4.21Å; V425-V471 HydrophobicContact CG1-CG1 4.43Å; V425-L474 HydrophobicContact CG1-CD1 4.29Å
426	L	95.5	Very high	95.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-74.7	-22.3	-177.5	-66.9	172.1	0	0	0	113.6	A422 C428 Q470 V471 L474 L618 L621 L625	A422-L426 VanDerWaalsContact O-CB 3.29Å; A422-L426 WeakPolarHBondContact O-CB 3.37Å; A422-L426 VanDerWaalsContact O-CG 3.25Å; A422-L426 WeakPolarHBondContact O-CG 3.41Å; A422-L426 PolarHBondContact O-N 3.44Å; L426-C428 VanDerWaalsContact C-N 3.3Å; L426-Q470 HydrophobicContact CD1-CB 4.02Å; L426-V471 HydrophobicContact CD1-CG2 4.35Å; L426-V471 HydrophobicContact CG-CG2 4.36Å; L426-L474 HydrophobicContact CD2-CD1 4.02Å; L426-L618 HydrophobicContact CD1-CB 4.07Å; L426-L618 HydrophobicContact CD1-CD2 4.04Å; L426-L621 HydrophobicContact CB-CB 4.12Å; L426-L621 HydrophobicContact CB-CD1 4.47Å; L426-L625 HydrophobicContact CD2-CD1 4.04Å; L426-L625 WeakPolarHBondContact O-CD1 3.44Å
427	G	91.9	Very high	95.4	Very high	39 Å²	39	28.5 Å²	28.5	40%	0.402	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-7.1	169.9	0	0	0	0	0	113.5	V423 V425 T429	V423-G427 WeakPolarHBondContact O-CA 3.49Å; V423-G427 PolarHBondContact O-N 3.15Å; V425-G427 VanDerWaalsContact C-N 3.34Å; V425-G427 PolarHBondContact O-N 3.32Å; G427-T429 PolarHBondContact O-N 3.17Å
428	C	91.3	Very high	95.3	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.02	18%	0.184	C	C	.	.			trans	-79.5	70.7	176.3	-160.1	0	0	0	0	111.5	N424 V425 L426 G430 R435 L438	N424-C428 PolarHBondContact O-N 2.61Å; V425-C428 VanDerWaalsContact O-CB 3.31Å; V425-C428 WeakPolarHBondContact O-CB 3.47Å; V425-C428 PolarHBondContact O-N 3.08Å; V425-C428 VanDerWaalsContact O-N 3.16Å; L426-C428 VanDerWaalsContact C-N 3.3Å; C428-G430 PolarHBondContact O-N 2.99Å; C428-R435 HydrophobicContact CB-CB 4.27Å; C428-R435 HydrophobicContact CB-CG 4.11Å; C428-L438 HydrophobicContact CB-CD2 3.87Å
429	T	87.1	Confident	95.3	Very high	102 Å²	102	29.8 Å²	29.8	63%	0.626	19%	0.185	S	C	*	.			trans	-75.3	25.9	174.9	69.5	0	0	0	0	113.4	G427 L625	G427-T429 PolarHBondContact O-N 3.17Å; T429-L625 HydrophobicContact CG2-CD2 4.25Å
430	G	88.1	Confident	95.4	Very high	36 Å²	36	30.6 Å²	30.6	37%	0.371	19%	0.189	S	C	.	.	S	Bend	trans	-84.8	-155.8	169.9	0	0	0	0	0	110.9	C428	C428-G430 PolarHBondContact O-N 2.99Å
431	T	94.8	Very high	95.5	Very high	75 Å²	75	32.4 Å²	32.4	46%	0.46	20%	0.196	S	C	.	.			trans	-62.8	155	171.3	63.6	0	0	0	0	111.7	E433 E434 R435	T431-E433 PolarHBondContact O-N 3.22Å; T431-E434 WeakPolarHBondContact CB-OE2 3.43Å; T431-E434 PolarHBondContact N-OE2 3.14Å; T431-E434 PolarHBondContact O-N 2.98Å; T431-E434 VanDerWaalsContact OG1-CG 3.27Å; T431-E434 WeakPolarHBondContact OG1-CG 3.31Å; T431-E434 PolarHBondContact OG1-N 3.36Å; T431-E434 PolarHBondContact OG1-OE2 3.32Å; T431-R435 PolarHBondContact O-N 3.41Å
432	T	96.1	Very high	95.5	Very high	35 Å²	35	31.7 Å²	31.7	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-23.9	170.7	-57.8	0	0	0	0	111.8	R435 A436 Q476	T432-R435 PolarHBondContact OG1-NH2 2.7Å; T432-A436 VanDerWaalsContact O-CB 3.26Å; T432-A436 WeakPolarHBondContact O-CB 3.01Å; T432-A436 PolarHBondContact O-N 3.05Å; T432-Q476 HydrophobicContact CG2-CB 4.03Å
433	E	96.9	Very high	95.6	Very high	96 Å²	96	31.6 Å²	31.6	45%	0.449	19%	0.192	S	C	.	.	H	α-helix	trans	-70.4	-47.9	173.9	-53.1	-165.8	178.7	0	0	112.2	T431 R435 A436 A437 T480 R484	T431-E433 PolarHBondContact O-N 3.22Å; E433-R435 VanDerWaalsContact C-N 3.29Å; E433-R435 PolarHBondContact O-N 3.16Å; E433-A436 PolarHBondContact O-N 2.82Å; E433-A437 WeakPolarHBondContact O-CB 3.39Å; E433-A437 PolarHBondContact O-N 2.86Å; E433-T480 HydrophobicContact CB-CG2 4.46Å; E433-T480 HydrophobicContact CG-CG2 4.09Å; E433-R484 VanDerWaalsContact CD-NH2 3.34Å; E433-R484 IonicContact OE1-CZ 3.28Å; E433-R484 IonicContact OE1-NH1 2.78Å; E433-R484 PolarHBondContact OE1-NH1 2.93Å; E433-R484 IonicContact OE1-NH2 3.65Å; E433-R484 PolarHBondContact OE1-NH2 3.39Å; E433-R484 IonicContact OE2-CZ 2.7Å; E433-R484 IonicContact OE2-NH1 3.16Å; E433-R484 PolarHBondContact OE2-NH1 2.84Å; E433-R484 IonicContact OE2-NH2 3.73Å
434	E	96.3	Very high	95.7	Very high	98 Å²	98	35.3 Å²	35.3	46%	0.458	21%	0.209	S	C	.	.	H	α-helix	trans	-61	-38.4	173.7	-71.4	164	108.9	0	0	111.9	T431 A437 L438	T431-E434 WeakPolarHBondContact CB-OE2 3.43Å; T431-E434 PolarHBondContact N-OE2 3.14Å; T431-E434 PolarHBondContact O-N 2.98Å; T431-E434 VanDerWaalsContact OG1-CG 3.27Å; T431-E434 WeakPolarHBondContact OG1-CG 3.31Å; T431-E434 PolarHBondContact OG1-N 3.36Å; T431-E434 PolarHBondContact OG1-OE2 3.32Å; E434-A437 PolarHBondContact O-N 2.56Å; E434-L438 WeakPolarHBondContact O-CB 3.41Å; E434-L438 PolarHBondContact O-N 2.97Å
435	R	96.9	Very high	95.9	Very high	5 Å²	5	34.8 Å²	34.8	2%	0.019	21%	0.206	C	C	.	.	H	α-helix	trans	-69.1	-37.7	176.6	-168.9	168	62.8	-98.7	-0	112.1	V425 C428 T431 T432 E433 L438 L439 T477 E626	V425-R435 HydrophobicContact CG1-CG 4.23Å; C428-R435 HydrophobicContact CB-CB 4.27Å; C428-R435 HydrophobicContact CB-CG 4.11Å; T431-R435 PolarHBondContact O-N 3.41Å; T432-R435 PolarHBondContact OG1-NH2 2.7Å; E433-R435 VanDerWaalsContact C-N 3.29Å; E433-R435 PolarHBondContact O-N 3.16Å; R435-L438 PolarHBondContact O-N 2.88Å; R435-L439 WeakPolarHBondContact O-CB 3.45Å; R435-L439 PolarHBondContact O-N 3.04Å; R435-T477 HydrophobicContact CB-CG2 4.34Å; R435-T477 HydrophobicContact CG-CG2 3.94Å; R435-T477 PolarHBondContact NE-OG1 2.9Å; R435-T477 PolarHBondContact NH2-OG1 3.36Å; R435-T477 VanDerWaalsContact NH2-OG1 3.14Å; R435-E626 IonicContact CZ-OE1 3.77Å; R435-E626 IonicContact NE-OE1 3.83Å; R435-E626 IonicContact NH2-OE1 2.85Å; R435-E626 PolarHBondContact NH2-OE1 3.33Å
436	A	98.2	Very high	96	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.7	-35.6	172.9	0	0	0	0	0	112.5	T432 E433 L439 N440 T477 T480 L481	T432-A436 VanDerWaalsContact O-CB 3.26Å; T432-A436 WeakPolarHBondContact O-CB 3.01Å; T432-A436 PolarHBondContact O-N 3.05Å; E433-A436 PolarHBondContact O-N 2.82Å; A436-L439 PolarHBondContact O-N 3.35Å; A436-N440 WeakPolarHBondContact O-CB 3.33Å; A436-N440 PolarHBondContact O-N 3.43Å; A436-T477 HydrophobicContact CB-CG2 4.22Å; A436-T480 HydrophobicContact CB-CG2 3.8Å; A436-L481 HydrophobicContact CB-CB 4.34Å; A436-L481 WeakPolarHBondContact O-CD1 3.41Å
437	A	97.6	Very high	96.2	Very high	43 Å²	43	35.4 Å²	35.4	36%	0.355	21%	0.212	S	C	.	.	H	α-helix	trans	-66.7	-39.9	173.2	0	0	0	0	0	112.1	E433 E434 N440 K441 H485	E433-A437 WeakPolarHBondContact O-CB 3.39Å; E433-A437 PolarHBondContact O-N 2.86Å; E434-A437 PolarHBondContact O-N 2.56Å; A437-N440 WeakPolarHBondContact O-CB 3.49Å; A437-N440 PolarHBondContact O-N 3.38Å; A437-K441 PolarHBondContact O-N 3.5Å; A437-H485 WeakPolarHBondContact CA-NE2 3.32Å
438	L	97.1	Very high	96.5	Very high	29 Å²	29	35.1 Å²	35.1	15%	0.152	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-42.6	172	-179.1	57.6	0	0	0	111.7	N424 V425 C428 E434 R435 N440 K441 V442	N424-L438 WeakPolarHBondContact O-CD2 3.05Å; V425-L438 HydrophobicContact CG2-CG 4.5Å; C428-L438 HydrophobicContact CB-CD2 3.87Å; E434-L438 WeakPolarHBondContact O-CB 3.41Å; E434-L438 PolarHBondContact O-N 2.97Å; R435-L438 PolarHBondContact O-N 2.88Å; L438-N440 VanDerWaalsContact C-N 3.34Å; L438-N440 PolarHBondContact O-N 2.84Å; L438-K441 WeakPolarHBondContact O-CA 3.44Å; L438-K441 WeakPolarHBondContact O-CB 3.43Å; L438-K441 PolarHBondContact O-N 2.68Å; L438-K441 VanDerWaalsContact O-N 3.1Å; L438-V442 WeakPolarHBondContact O-CG2 3.34Å; L438-V442 PolarHBondContact O-N 3.33Å
439	L	98.1	Very high	96.9	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-41.1	175.6	-171.4	66.9	0	0	0	112	V425 R435 A436 K441 V442 I443 L466 V471 T477 W478 L481	V425-L439 HydrophobicContact CG1-CD1 4.43Å; V425-L439 HydrophobicContact CG2-CD1 4.42Å; R435-L439 WeakPolarHBondContact O-CB 3.45Å; R435-L439 PolarHBondContact O-N 3.04Å; A436-L439 PolarHBondContact O-N 3.35Å; L439-K441 VanDerWaalsContact C-N 3.34Å; L439-K441 PolarHBondContact O-N 2.97Å; L439-V442 PolarHBondContact O-N 2.9Å; L439-I443 WeakPolarHBondContact O-CG1 3.38Å; L439-I443 PolarHBondContact O-N 3.06Å; L439-L466 HydrophobicContact CD1-CD2 3.45Å; L439-L466 VanDerWaalsContact CD1-CD2 3.45Å; L439-L466 HydrophobicContact CG-CD2 4.44Å; L439-V471 HydrophobicContact CD1-CG1 4.15Å; L439-T477 HydrophobicContact CB-CG2 4.43Å; L439-T477 HydrophobicContact CD2-CG2 3.76Å; L439-W478 HydrophobicContact CD1-CH2 4.05Å; L439-W478 HydrophobicContact CD1-CZ2 4Å; L439-W478 HydrophobicContact CD2-CD2 3.75Å; L439-W478 HydrophobicContact CD2-CE3 3.8Å; L439-W478 HydrophobicContact CD2-CG 4.42Å; L439-W478 HydrophobicContact CD2-CH2 3.89Å; L439-W478 HydrophobicContact CD2-CZ2 3.86Å; L439-W478 HydrophobicContact CD2-CZ3 3.86Å; L439-W478 HydrophobicContact CG-CH2 4.16Å; L439-W478 HydrophobicContact CG-CZ2 4.37Å; L439-W478 HydrophobicContact CG-CZ3 4.35Å; L439-L481 HydrophobicContact CB-CD1 4.49Å; L439-L481 HydrophobicContact CD2-CD2 4.18Å
440	N	98.6	Very high	97.4	Very high	20 Å²	20	32.5 Å²	32.5	11%	0.107	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-42.3	171	-173.6	21.2	0	0	0	111.8	A436 A437 L438 V442 I443 Q444 L481 H485	A436-N440 WeakPolarHBondContact O-CB 3.33Å; A436-N440 PolarHBondContact O-N 3.43Å; A437-N440 WeakPolarHBondContact O-CB 3.49Å; A437-N440 PolarHBondContact O-N 3.38Å; L438-N440 VanDerWaalsContact C-N 3.34Å; L438-N440 PolarHBondContact O-N 2.84Å; N440-V442 VanDerWaalsContact C-N 3.34Å; N440-V442 PolarHBondContact O-N 3.21Å; N440-I443 PolarHBondContact O-N 2.84Å; N440-Q444 VanDerWaalsContact CG-NE2 3.26Å; N440-Q444 PolarHBondContact ND2-NE2 3.02Å; N440-Q444 WeakPolarHBondContact O-CG 3.24Å; N440-Q444 PolarHBondContact O-N 2.91Å; N440-Q444 PolarHBondContact OD1-NE2 3.36Å; N440-L481 HydrophobicContact CB-CD1 3.65Å; N440-H485 HydrophobicContact CB-CB 4.12Å; N440-H485 WeakPolarHBondContact ND2-CB 3.49Å; N440-H485 PolarHBondContact ND2-ND1 3.02Å
441	K	98.6	Very high	97.7	Very high	47 Å²	47	35.1 Å²	35.1	20%	0.204	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-39.6	176.1	-165.4	174.4	-173.9	177.5	0	111.9	L356 A357 V359 A437 L438 L439 Q444 I445	L356-K441 PolarHBondContact O-NZ 3.27Å; A357-K441 PolarHBondContact O-NZ 3.05Å; V359-K441 WeakPolarHBondContact O-CE 3.13Å; V359-K441 PolarHBondContact O-NZ 3.18Å; A437-K441 PolarHBondContact O-N 3.5Å; L438-K441 WeakPolarHBondContact O-CA 3.44Å; L438-K441 WeakPolarHBondContact O-CB 3.43Å; L438-K441 PolarHBondContact O-N 2.68Å; L438-K441 VanDerWaalsContact O-N 3.1Å; L439-K441 VanDerWaalsContact C-N 3.34Å; L439-K441 PolarHBondContact O-N 2.97Å; K441-Q444 PolarHBondContact O-N 3.38Å; K441-I445 VanDerWaalsContact O-CG1 3.31Å; K441-I445 WeakPolarHBondContact O-CG1 3.28Å; K441-I445 PolarHBondContact O-N 3.19Å
442	V	98.6	Very high	97.7	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-42.4	174.1	178.5	0	0	0	0	111.4	V425 L438 L439 N440 Q444 I445 A446 V462 L466	V425-V442 HydrophobicContact CG2-CG2 4.21Å; L438-V442 WeakPolarHBondContact O-CG2 3.34Å; L438-V442 PolarHBondContact O-N 3.33Å; L439-V442 PolarHBondContact O-N 2.9Å; N440-V442 VanDerWaalsContact C-N 3.34Å; N440-V442 PolarHBondContact O-N 3.21Å; V442-Q444 VanDerWaalsContact C-N 3.34Å; V442-Q444 PolarHBondContact O-N 2.95Å; V442-I445 PolarHBondContact O-N 2.91Å; V442-A446 PolarHBondContact O-N 2.75Å; V442-A446 VanDerWaalsContact O-N 3.11Å; V442-V462 HydrophobicContact CG1-CG1 3.55Å; V442-V462 WeakPolarHBondContact O-CG1 3.49Å; V442-L466 HydrophobicContact CB-CD2 4.21Å; V442-L466 HydrophobicContact CG1-CD1 4.39Å; V442-L466 HydrophobicContact CG1-CD2 3.71Å; V442-L466 HydrophobicContact CG1-CG 4.03Å
443	I	98.9	Very high	97.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-40.2	174.2	-68.6	162.7	0	0	0	111.6	L439 N440 A446 A447 L466 W478 L481 L491 Y492 L496	L439-I443 WeakPolarHBondContact O-CG1 3.38Å; L439-I443 PolarHBondContact O-N 3.06Å; N440-I443 PolarHBondContact O-N 2.84Å; I443-A446 WeakPolarHBondContact O-CB 3.5Å; I443-A446 PolarHBondContact O-N 3.14Å; I443-A447 PolarHBondContact O-N 3.06Å; I443-L466 HydrophobicContact CG1-CD1 3.73Å; I443-L466 HydrophobicContact CG1-CD2 4.24Å; I443-W478 HydrophobicContact CD1-CZ3 4.17Å; I443-L481 HydrophobicContact CD1-CD1 4.43Å; I443-L481 HydrophobicContact CD1-CD2 3.76Å; I443-L491 HydrophobicContact CG2-CD2 4.38Å; I443-Y492 HydrophobicContact CD1-CD1 4.46Å; I443-Y492 HydrophobicContact CD1-CG 4.2Å; I443-Y492 HydrophobicContact CG1-CG 4.31Å; I443-L496 HydrophobicContact CG2-CD1 4.07Å
444	Q	98.8	Very high	97.8	Very high	81 Å²	81	26.7 Å²	26.7	38%	0.379	14%	0.144	S	C	.	.	H	α-helix	trans	-66.1	-36.9	175.9	-70.2	167.6	29.8	0	0	112.3	A361 N440 K441 V442 A447 E448	A361-Q444 HydrophobicContact CB-CB 3.64Å; N440-Q444 VanDerWaalsContact CG-NE2 3.26Å; N440-Q444 PolarHBondContact ND2-NE2 3.02Å; N440-Q444 WeakPolarHBondContact O-CG 3.24Å; N440-Q444 PolarHBondContact O-N 2.91Å; N440-Q444 PolarHBondContact OD1-NE2 3.36Å; K441-Q444 PolarHBondContact O-N 3.38Å; V442-Q444 VanDerWaalsContact C-N 3.34Å; V442-Q444 PolarHBondContact O-N 2.95Å; Q444-A447 PolarHBondContact O-N 3.4Å; Q444-E448 WeakPolarHBondContact O-CG 3.37Å; Q444-E448 PolarHBondContact O-N 2.83Å
445	I	98.9	Very high	97.9	Very high	14 Å²	14	22 Å²	22	7%	0.072	12%	0.122	C	C	.	.	H	α-helix	trans	-61.7	-44.9	173.7	-67.4	165.3	0	0	0	110	A361 A364 I368 K441 V442 A447 E448 L449 V462	A361-I445 HydrophobicContact CB-CG1 3.86Å; A364-I445 HydrophobicContact CB-CD1 3.81Å; A364-I445 HydrophobicContact CB-CG1 3.95Å; I368-I445 HydrophobicContact CD1-CG2 3.67Å; K441-I445 VanDerWaalsContact O-CG1 3.31Å; K441-I445 WeakPolarHBondContact O-CG1 3.28Å; K441-I445 PolarHBondContact O-N 3.19Å; V442-I445 PolarHBondContact O-N 2.91Å; I445-A447 VanDerWaalsContact C-N 3.31Å; I445-A447 PolarHBondContact O-N 3.41Å; I445-E448 PolarHBondContact O-N 2.96Å; I445-L449 HydrophobicContact CG2-CD1 3.81Å; I445-L449 HydrophobicContact CG2-CG 4.36Å; I445-L449 WeakPolarHBondContact O-CB 3.49Å; I445-L449 VanDerWaalsContact O-CG 3.25Å; I445-L449 WeakPolarHBondContact O-CG 3.43Å; I445-L449 PolarHBondContact O-N 3.07Å; I445-V462 HydrophobicContact CG2-CG2 4.14Å
446	A	98.8	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-40.2	174.2	0	0	0	0	0	112.4	V442 I443 K450 F459 V462 M463 L496	V442-A446 PolarHBondContact O-N 2.75Å; V442-A446 VanDerWaalsContact O-N 3.11Å; I443-A446 WeakPolarHBondContact O-CB 3.5Å; I443-A446 PolarHBondContact O-N 3.14Å; A446-K450 WeakPolarHBondContact O-CB 3.39Å; A446-K450 PolarHBondContact O-N 3.4Å; A446-F459 HydrophobicContact CB-CD2 3.96Å; A446-F459 HydrophobicContact CB-CE2 4.18Å; A446-F459 WeakPolarHBondContact O-CD2 3.38Å; A446-V462 HydrophobicContact CB-CB 4.17Å; A446-V462 HydrophobicContact CB-CG1 3.79Å; A446-M463 HydrophobicContact CB-SD 4.3Å; A446-L496 HydrophobicContact CB-CD1 3.89Å
447	A	98.6	Very high	98	Very high	16 Å²	16	22 Å²	22	13%	0.132	12%	0.122	C	C	.	.	H	α-helix	trans	-66.6	-41.7	176.7	0	0	0	0	0	113.1	I443 Q444 I445 K450 T451 L491 L496	I443-A447 PolarHBondContact O-N 3.06Å; Q444-A447 PolarHBondContact O-N 3.4Å; I445-A447 VanDerWaalsContact C-N 3.31Å; I445-A447 PolarHBondContact O-N 3.41Å; A447-K450 PolarHBondContact O-N 3.27Å; A447-T451 WeakPolarHBondContact O-CB 3.28Å; A447-T451 WeakPolarHBondContact O-CG2 3.41Å; A447-T451 PolarHBondContact O-N 2.91Å; A447-T451 PolarHBondContact O-OG1 2.95Å; A447-L491 HydrophobicContact CB-CD2 3.83Å; A447-L496 HydrophobicContact CB-CD1 4.49Å
448	E	98.7	Very high	98.1	Very high	32 Å²	32	20 Å²	20	15%	0.15	11%	0.106	C	C	.	.	H	α-helix	trans	-67.7	-37.6	176.3	-72.8	-76.6	-173.3	0	0	112.1	A361 R362 A365 Q444 I445 T451 T452 T453	A361-E448 HydrophobicContact CB-CG 4.36Å; R362-E448 HydrophobicContact CB-CG 4.05Å; R362-E448 WeakPolarHBondContact CG-OE2 3.25Å; R362-E448 IonicContact CZ-OE1 2.7Å; R362-E448 IonicContact CZ-OE2 2.66Å; R362-E448 IonicContact NE-OE1 3.49Å; R362-E448 PolarHBondContact NE-OE1 2.88Å; R362-E448 IonicContact NE-OE2 2.89Å; R362-E448 PolarHBondContact NE-OE2 2.89Å; R362-E448 VanDerWaalsContact NE-OE2 3.16Å; R362-E448 IonicContact NH1-OE2 3.32Å; R362-E448 VanDerWaalsContact NH2-CD 3.27Å; R362-E448 IonicContact NH2-OE1 3.75Å; R362-E448 PolarHBondContact NH2-OE1 3.45Å; R362-E448 IonicContact NH2-OE2 3.73Å; R362-E448 PolarHBondContact NH2-OE2 3.37Å; A365-E448 HydrophobicContact CB-CB 3.75Å; Q444-E448 WeakPolarHBondContact O-CG 3.37Å; Q444-E448 PolarHBondContact O-N 2.83Å; I445-E448 PolarHBondContact O-N 2.96Å; E448-T451 PolarHBondContact O-N 3.4Å; E448-T452 WeakPolarHBondContact O-CA 3.47Å; E448-T452 WeakPolarHBondContact O-CB 3.31Å; E448-T452 PolarHBondContact O-N 2.96Å; E448-T452 WeakPolarHBondContact OE2-CB 3.46Å; E448-T452 PolarHBondContact OE2-OG1 3.41Å; E448-T453 PolarHBondContact O-N 3.01Å
449	L	98.8	Very high	98.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	I	π-helix	trans	-62.2	-46.9	171	-71.7	164.6	0	0	0	111.4	A365 I368 T369 I445 T451 T453 G454 D455 F459 V462	A365-L449 HydrophobicContact CB-CD2 3.83Å; A365-L449 HydrophobicContact CB-CG 3.79Å; I368-L449 HydrophobicContact CB-CD2 4.07Å; I368-L449 HydrophobicContact CD1-CD1 4.05Å; I368-L449 HydrophobicContact CG2-CD1 4.26Å; I368-L449 HydrophobicContact CG2-CD2 3.78Å; T369-L449 WeakPolarHBondContact OG1-CD2 3.41Å; I445-L449 HydrophobicContact CG2-CD1 3.81Å; I445-L449 HydrophobicContact CG2-CG 4.36Å; I445-L449 WeakPolarHBondContact O-CB 3.49Å; I445-L449 VanDerWaalsContact O-CG 3.25Å; I445-L449 WeakPolarHBondContact O-CG 3.43Å; I445-L449 PolarHBondContact O-N 3.07Å; L449-T451 PolarHBondContact O-N 3.1Å; L449-T453 WeakPolarHBondContact CA-OG1 3.48Å; L449-T453 PolarHBondContact O-OG1 2.95Å; L449-G454 WeakPolarHBondContact O-CA 3.47Å; L449-G454 PolarHBondContact O-N 2.79Å; L449-D455 HydrophobicContact CD2-CB 3.97Å; L449-D455 PolarHBondContact O-N 3.38Å; L449-F459 HydrophobicContact CB-CB 4.05Å; L449-V462 HydrophobicContact CD1-CB 4.5Å; L449-V462 HydrophobicContact CD1-CG2 3.54Å
450	K	97.3	Very high	98.2	Very high	51 Å²	51	18.7 Å²	18.7	22%	0.222	10%	0.099	C	C	.	.	I	π-helix	trans	-62.1	-39.1	177.8	-176.5	-173.8	-174.1	-58.3	0	113.3	A446 A447 F459 L496 F499	A446-K450 WeakPolarHBondContact O-CB 3.39Å; A446-K450 PolarHBondContact O-N 3.4Å; A447-K450 PolarHBondContact O-N 3.27Å; K450-F459 HydrophobicContact CB-CD2 4.11Å; K450-F459 HydrophobicContact CB-CE2 4.41Å; K450-L496 HydrophobicContact CD-CD2 3.74Å; K450-F499 HydrophobicContact CD-CD1 3.87Å; K450-F499 HydrophobicContact CD-CE1 3.9Å; K450-F499 HydrophobicContact CD-CG 4.29Å; K450-F499 HydrophobicContact CD-CZ 4.37Å; K450-F499 VanDerWaalsContact CE-CD2 3.4Å; K450-F499 VanDerWaalsContact CE-CE1 3.43Å; K450-F499 HydrophobicContact CG-CD1 4.31Å; K450-F499 HydrophobicContact CG-CE1 3.83Å; K450-F499 HydrophobicContact CG-CZ 4.17Å
451	T	94.4	Very high	98.2	Very high	90 Å²	90	17.7 Å²	17.7	55%	0.552	9%	0.094	S	C	*	.	I	π-helix	trans	-115.2	-36.5	-163.7	62.4	0	0	0	0	115.4	A447 E448 L449	A447-T451 WeakPolarHBondContact O-CB 3.28Å; A447-T451 WeakPolarHBondContact O-CG2 3.41Å; A447-T451 PolarHBondContact O-N 2.91Å; A447-T451 PolarHBondContact O-OG1 2.95Å; E448-T451 PolarHBondContact O-N 3.4Å; L449-T451 PolarHBondContact O-N 3.1Å
452	T	95.9	Very high	98.2	Very high	26 Å²	26	15.5 Å²	15.5	16%	0.16	8%	0.084	C	C	.	.	I	π-helix	trans	-93.3	-50.5	-178.1	-69.4	0	0	0	0	111.8	R362 E448 R574	R362-T452 HydrophobicContact CG-CG2 4.07Å; R362-T452 VanDerWaalsContact CZ-OG1 3.29Å; R362-T452 PolarHBondContact NH1-OG1 3.02Å; R362-T452 VanDerWaalsContact NH1-OG1 3.14Å; R362-T452 PolarHBondContact NH2-OG1 2.8Å; E448-T452 WeakPolarHBondContact O-CA 3.47Å; E448-T452 WeakPolarHBondContact O-CB 3.31Å; E448-T452 PolarHBondContact O-N 2.96Å; E448-T452 WeakPolarHBondContact OE2-CB 3.46Å; E448-T452 PolarHBondContact OE2-OG1 3.41Å; T452-R574 WeakPolarHBondContact O-CD 3.1Å; T452-R574 PolarHBondContact O-NH1 2.85Å
453	T	97.6	Very high	98.2	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.012	8%	0.083	C	C	.	.	I	π-helix	trans	-86.6	-35.1	-179.7	70.5	0	0	0	0	112.2	A365 R366 T369 E448 L449 D455 T516	A365-T453 HydrophobicContact CB-CG2 4.11Å; R366-T453 HydrophobicContact CG-CG2 4.33Å; T369-T453 WeakPolarHBondContact OG1-CB 3.19Å; T369-T453 PolarHBondContact OG1-OG1 3.23Å; E448-T453 PolarHBondContact O-N 3.01Å; L449-T453 WeakPolarHBondContact CA-OG1 3.48Å; L449-T453 PolarHBondContact O-OG1 2.95Å; T453-D455 WeakPolarHBondContact OG1-CB 3.1Å; T453-T516 WeakPolarHBondContact O-CG2 3.39Å; T453-T516 PolarHBondContact O-OG1 2.81Å; T453-T516 VanDerWaalsContact O-OG1 3.05Å
454	G	97.7	Very high	98.1	Very high	2 Å²	2	18.8 Å²	18.8	2%	0.021	10%	0.096	C	C	.	.			trans	81.1	32.1	-178.7	0	0	0	0	0	112.7	L449 T515 T516 F517	L449-G454 WeakPolarHBondContact O-CA 3.47Å; L449-G454 PolarHBondContact O-N 2.79Å; G454-T515 CarbonylContact O-C 3.53Å; G454-T515 VanDerWaalsContact O-CA 3.31Å; G454-T515 WeakPolarHBondContact O-CA 3.47Å; G454-T516 PolarHBondContact O-N 3.42Å; G454-T516 PolarHBondContact O-OG1 2.78Å; G454-F517 PolarHBondContact O-N 2.91Å
455	D	98.6	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-104.6	98	-173.7	177.2	2.7	0	0	0	110.2	T369 L449 T453 F457 G458 F459 F517	T369-D455 WeakPolarHBondContact CA-OD2 3.43Å; T369-D455 VanDerWaalsContact CB-OD2 3.29Å; T369-D455 WeakPolarHBondContact CB-OD2 3.49Å; T369-D455 HydrophobicContact CG2-CB 3.93Å; T369-D455 WeakPolarHBondContact OG1-CB 3.33Å; T369-D455 PolarHBondContact OG1-OD2 3.37Å; L449-D455 HydrophobicContact CD2-CB 3.97Å; L449-D455 PolarHBondContact O-N 3.38Å; T453-D455 WeakPolarHBondContact OG1-CB 3.1Å; D455-F457 PolarHBondContact OD1-N 2.99Å; D455-G458 PolarHBondContact OD1-N 3.32Å; D455-F459 WeakPolarHBondContact O-CB 3.42Å; D455-F459 PolarHBondContact O-N 3.01Å; D455-F517 HydrophobicContact CB-CB 4.5Å; D455-F517 WeakPolarHBondContact OD1-CB 3.44Å
456	M	98.4	Very high	98.1	Very high	5 Å²	5	14.4 Å²	14.4	3%	0.025	8%	0.076	C	C	.	.	H	α-helix	trans	-79.1	-29	-174.9	-55.8	-61.9	99.6	0	0	112.3	A460 F499 L503 C510 F517 H519	M456-A460 VanDerWaalsContact O-CB 3.29Å; M456-A460 WeakPolarHBondContact O-CB 3.37Å; M456-A460 PolarHBondContact O-N 2.98Å; M456-F499 HydrophobicContact SD-CE1 3.96Å; M456-F499 HydrophobicContact SD-CZ 3.91Å; M456-L503 HydrophobicContact SD-CD1 4.27Å; M456-C510 HydrophobicContact CG-CB 4.42Å; M456-C510 VanDerWaalsContact CG-SG 3.56Å; M456-C510 VanDerWaalsContact SD-SG 3.67Å; M456-F517 WeakPolarHBondContact CB-O 3.45Å; M456-F517 PolarHBondContact N-O 2.95Å; M456-H519 HydrophobicContact CB-CB 3.93Å
457	F	98.6	Very high	98	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-68.8	-51.1	176.7	173	-91.3	0	0	0	110.5	D372 L410 R413 F414 D455 F459 A460 A461 F517 V520 L524	D372-F457 HydrophobicContact CB-CD1 4.1Å; D372-F457 HydrophobicContact CB-CE1 4.45Å; D372-F457 WeakPolarHBondContact OD2-CD1 3.33Å; L410-F457 HydrophobicContact CB-CE2 4.08Å; L410-F457 HydrophobicContact CB-CZ 4.23Å; L410-F457 HydrophobicContact CD2-CE1 4.39Å; L410-F457 HydrophobicContact CD2-CE2 4.3Å; L410-F457 HydrophobicContact CD2-CZ 3.97Å; L410-F457 WeakPolarHBondContact O-CZ 3.29Å; R413-F457 HydrophobicContact CG-CE1 4.45Å; F414-F457 HydrophobicContact CB-CE2 4.02Å; F414-F457 HydrophobicContact CB-CZ 3.88Å; F414-F457 HydrophobicContact CD2-CE2 4.17Å; F414-F457 HydrophobicContact CD2-CZ 4.46Å; D455-F457 PolarHBondContact OD1-N 2.99Å; F457-F459 PolarHBondContact O-N 2.84Å; F457-A460 PolarHBondContact O-N 3.3Å; F457-A461 PolarHBondContact O-N 3.39Å; F457-A461 VanDerWaalsContact O-N 3.1Å; F457-F517 HydrophobicContact CB-CB 4.48Å; F457-F517 HydrophobicContact CB-CD1 3.65Å; F457-F517 HydrophobicContact CB-CD2 3.83Å; F457-F517 HydrophobicContact CB-CE1 3.69Å; F457-F517 HydrophobicContact CB-CE2 3.83Å; F457-F517 HydrophobicContact CB-CG 3.74Å; F457-F517 HydrophobicContact CB-CZ 3.76Å; F457-F517 HydrophobicContact CD1-CD2 4.17Å; F457-F517 AromaticContact CD1-CE2 3.63Å; F457-F517 HydrophobicContact CD1-CE2 3.63Å; F457-F517 AromaticContact CD1-CZ 3.94Å; F457-F517 HydrophobicContact CD1-CZ 3.94Å; F457-F517 HydrophobicContact CD2-CE1 4.28Å; F457-F517 HydrophobicContact CD2-CE2 4.49Å; F457-F517 AromaticContact CD2-CZ 3.96Å; F457-F517 HydrophobicContact CD2-CZ 3.96Å; F457-F517 HydrophobicContact CE1-CE2 4.32Å; F457-F517 HydrophobicContact CG-CD1 4.42Å; F457-F517 HydrophobicContact CG-CD2 4.22Å; F457-F517 AromaticContact CG-CE1 4Å; F457-F517 HydrophobicContact CG-CE1 4Å; F457-F517 AromaticContact CG-CE2 3.73Å; F457-F517 HydrophobicContact CG-CE2 3.73Å; F457-F517 AromaticContact CG-CZ 3.61Å; F457-F517 HydrophobicContact CG-CZ 3.61Å; F457-V520 HydrophobicContact CD2-CG2 4.01Å; F457-L524 HydrophobicContact CE2-CD1 4.28Å
458	G	98.6	Very high	97.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.7	-45.9	173.1	0	0	0	0	0	111.5	D372 D455 A460 A461 V462	D372-G458 VanDerWaalsContact OD2-CA 3.25Å; D372-G458 WeakPolarHBondContact OD2-CA 3.23Å; D372-G458 PolarHBondContact OD2-N 3.36Å; D455-G458 PolarHBondContact OD1-N 3.32Å; G458-A460 PolarHBondContact O-N 2.74Å; G458-A461 PolarHBondContact O-N 3.48Å; G458-V462 WeakPolarHBondContact O-CG2 3.4Å; G458-V462 PolarHBondContact O-N 2.9Å
459	F	98.8	Very high	97.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-54.1	-48.9	175.2	163.9	-106.5	0	0	0	112.5	A446 L449 K450 D455 F457 A461 V462 M463 L496 F499 L500 L503	A446-F459 HydrophobicContact CB-CD2 3.96Å; A446-F459 HydrophobicContact CB-CE2 4.18Å; A446-F459 WeakPolarHBondContact O-CD2 3.38Å; L449-F459 HydrophobicContact CB-CB 4.05Å; K450-F459 HydrophobicContact CB-CD2 4.11Å; K450-F459 HydrophobicContact CB-CE2 4.41Å; D455-F459 WeakPolarHBondContact O-CB 3.42Å; D455-F459 PolarHBondContact O-N 3.01Å; F457-F459 PolarHBondContact O-N 2.84Å; F459-A461 VanDerWaalsContact C-N 3.31Å; F459-A461 PolarHBondContact O-N 2.84Å; F459-V462 PolarHBondContact O-N 3.06Å; F459-M463 HydrophobicContact CD2-CG 3.98Å; F459-M463 HydrophobicContact CE1-CG 4.26Å; F459-M463 HydrophobicContact CE2-CG 3.47Å; F459-M463 VanDerWaalsContact CE2-CG 3.47Å; F459-M463 HydrophobicContact CE2-SD 3.95Å; F459-M463 HydrophobicContact CZ-CG 3.63Å; F459-M463 HydrophobicContact CZ-SD 4.26Å; F459-M463 WeakPolarHBondContact O-CG 3.43Å; F459-M463 PolarHBondContact O-N 2.89Å; F459-L496 HydrophobicContact CE2-CB 4.15Å; F459-L496 HydrophobicContact CE2-CD2 4.08Å; F459-L496 HydrophobicContact CE2-CG 4.5Å; F459-L496 HydrophobicContact CZ-CB 4.37Å; F459-F499 HydrophobicContact CD1-CD1 4.44Å; F459-F499 HydrophobicContact CD1-CE1 4.21Å; F459-F499 AromaticContact CE1-CD1 3.56Å; F459-F499 HydrophobicContact CE1-CD1 3.56Å; F459-F499 AromaticContact CE1-CE1 3.76Å; F459-F499 HydrophobicContact CE1-CE1 3.76Å; F459-F499 AromaticContact CZ-CD1 3.73Å; F459-F499 HydrophobicContact CZ-CD1 3.73Å; F459-F499 HydrophobicContact CZ-CE1 4.25Å; F459-L500 HydrophobicContact CE1-CB 3.94Å; F459-L500 HydrophobicContact CE1-CD1 4.13Å; F459-L500 HydrophobicContact CZ-CB 4.12Å; F459-L503 HydrophobicContact CD1-CD1 4.38Å; F459-L503 HydrophobicContact CE1-CD1 4.15Å
460	A	98.5	Very high	97.8	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.017	11%	0.11	C	C	.	.	H	α-helix	trans	-64.2	-34.4	179.8	0	0	0	0	0	112.4	F414 M456 F457 G458 M463 R464 L500	F414-A460 HydrophobicContact CE2-CB 3.87Å; M456-A460 VanDerWaalsContact O-CB 3.29Å; M456-A460 WeakPolarHBondContact O-CB 3.37Å; M456-A460 PolarHBondContact O-N 2.98Å; F457-A460 PolarHBondContact O-N 3.3Å; G458-A460 PolarHBondContact O-N 2.74Å; A460-M463 PolarHBondContact O-N 3.1Å; A460-R464 WeakPolarHBondContact O-CB 3.42Å; A460-R464 PolarHBondContact O-N 2.69Å; A460-L500 HydrophobicContact CB-CD1 3.96Å
461	A	98.6	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.2	-40.5	175.7	0	0	0	0	0	112.3	F414 M417 A418 F457 G458 F459 R464 A465	F414-A461 HydrophobicContact CD2-CB 3.71Å; F414-A461 VanDerWaalsContact CE2-CA 3.48Å; F414-A461 HydrophobicContact CE2-CB 3.8Å; F414-A461 VanDerWaalsContact CE2-N 3.31Å; F414-A461 HydrophobicContact CG-CB 4.37Å; M417-A461 HydrophobicContact CE-CB 3.69Å; A418-A461 WeakPolarHBondContact CB-O 3.24Å; F457-A461 PolarHBondContact O-N 3.39Å; F457-A461 VanDerWaalsContact O-N 3.1Å; G458-A461 PolarHBondContact O-N 3.48Å; F459-A461 VanDerWaalsContact C-N 3.31Å; F459-A461 PolarHBondContact O-N 2.84Å; A461-R464 PolarHBondContact O-N 3.41Å; A461-A465 PolarHBondContact O-N 2.85Å; A461-A465 VanDerWaalsContact O-N 3.15Å
462	V	98.8	Very high	98	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.1	-41.5	173.6	-177.1	0	0	0	0	111.1	I368 L421 V442 I445 A446 L449 G458 F459 A465 L466	I368-V462 HydrophobicContact CD1-CG2 4.39Å; L421-V462 HydrophobicContact CD1-CB 4.22Å; L421-V462 HydrophobicContact CD1-CG1 4.32Å; L421-V462 HydrophobicContact CD1-CG2 3.74Å; V442-V462 HydrophobicContact CG1-CG1 3.55Å; V442-V462 WeakPolarHBondContact O-CG1 3.49Å; I445-V462 HydrophobicContact CG2-CG2 4.14Å; A446-V462 HydrophobicContact CB-CB 4.17Å; A446-V462 HydrophobicContact CB-CG1 3.79Å; L449-V462 HydrophobicContact CD1-CB 4.5Å; L449-V462 HydrophobicContact CD1-CG2 3.54Å; G458-V462 WeakPolarHBondContact O-CG2 3.4Å; G458-V462 PolarHBondContact O-N 2.9Å; F459-V462 PolarHBondContact O-N 3.06Å; V462-A465 WeakPolarHBondContact O-CB 3.32Å; V462-A465 PolarHBondContact O-N 3.05Å; V462-L466 PolarHBondContact O-N 3.2Å
463	M	98.7	Very high	98	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.8	-42.9	176.3	-71.6	-66.4	-64.3	0	0	112.5	A446 F459 A460 A465 L466 E467 Y492 L496 R497 L500	A446-M463 HydrophobicContact CB-SD 4.3Å; F459-M463 HydrophobicContact CD2-CG 3.98Å; F459-M463 HydrophobicContact CE1-CG 4.26Å; F459-M463 HydrophobicContact CE2-CG 3.47Å; F459-M463 VanDerWaalsContact CE2-CG 3.47Å; F459-M463 HydrophobicContact CE2-SD 3.95Å; F459-M463 HydrophobicContact CZ-CG 3.63Å; F459-M463 HydrophobicContact CZ-SD 4.26Å; F459-M463 WeakPolarHBondContact O-CG 3.43Å; F459-M463 PolarHBondContact O-N 2.89Å; A460-M463 PolarHBondContact O-N 3.1Å; M463-A465 PolarHBondContact O-N 3.27Å; M463-L466 WeakPolarHBondContact O-CB 3.32Å; M463-L466 PolarHBondContact O-N 3.28Å; M463-L466 HydrophobicContact SD-CD1 4.17Å; M463-E467 WeakPolarHBondContact O-CG 3.41Å; M463-E467 PolarHBondContact O-N 2.81Å; M463-Y492 HydrophobicContact CE-CD2 3.91Å; M463-Y492 HydrophobicContact CE-CE2 3.64Å; M463-Y492 HydrophobicContact SD-CD2 4.07Å; M463-Y492 HydrophobicContact SD-CE2 4.07Å; M463-L496 HydrophobicContact CE-CB 3.91Å; M463-L496 HydrophobicContact SD-CB 3.71Å; M463-L496 HydrophobicContact SD-CD1 4.3Å; M463-R497 HydrophobicContact CE-CB 4.02Å; M463-L500 HydrophobicContact CB-CD2 3.45Å; M463-L500 VanDerWaalsContact CB-CD2 3.45Å; M463-L500 HydrophobicContact CE-CD2 4.41Å; M463-L500 HydrophobicContact CG-CD2 4.06Å
464	R	97.8	Very high	98	Very high	73 Å²	73	19.1 Å²	19.1	28%	0.275	10%	0.098	S	C	.	.	H	α-helix	trans	-55.2	-37.5	172.9	174.4	64.5	80.6	135.5	0.9	111.4	F414 A418 A460 A461 L466 E467 L468	F414-R464 HydrophobicContact CE1-CB 4.12Å; F414-R464 HydrophobicContact CE1-CG 3.99Å; F414-R464 HydrophobicContact CZ-CB 3.87Å; F414-R464 HydrophobicContact CZ-CG 4.26Å; A418-R464 HydrophobicContact CB-CB 4.17Å; A418-R464 HydrophobicContact CB-CG 3.92Å; A460-R464 WeakPolarHBondContact O-CB 3.42Å; A460-R464 PolarHBondContact O-N 2.69Å; A461-R464 PolarHBondContact O-N 3.41Å; R464-L466 PolarHBondContact O-N 3.41Å; R464-E467 PolarHBondContact O-N 2.64Å; R464-L468 WeakPolarHBondContact O-CG 3.29Å; R464-L468 PolarHBondContact O-N 3.28Å
465	A	98.4	Very high	98	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.017	12%	0.122	C	C	.	.	H	α-helix	trans	-64.8	-34.9	175.2	0	0	0	0	0	113.8	A418 L421 A461 V462 M463 V471	A418-A465 HydrophobicContact CB-CB 4.37Å; A418-A465 VanDerWaalsContact O-CB 3.28Å; A418-A465 WeakPolarHBondContact O-CB 3.16Å; L421-A465 HydrophobicContact CB-CB 3.7Å; L421-A465 HydrophobicContact CD1-CB 4.43Å; A461-A465 PolarHBondContact O-N 2.85Å; A461-A465 VanDerWaalsContact O-N 3.15Å; V462-A465 WeakPolarHBondContact O-CB 3.32Å; V462-A465 PolarHBondContact O-N 3.05Å; M463-A465 PolarHBondContact O-N 3.27Å; A465-V471 WeakPolarHBondContact O-CB 3.39Å; A465-V471 WeakPolarHBondContact O-CG2 3.47Å
466	L	98.4	Very high	97.9	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-76.3	-25.4	176.2	-63.9	171.9	0	0	0	112.7	L439 V442 I443 V462 M463 R464 W478 Y492	L439-L466 HydrophobicContact CD1-CD2 3.45Å; L439-L466 VanDerWaalsContact CD1-CD2 3.45Å; L439-L466 HydrophobicContact CG-CD2 4.44Å; V442-L466 HydrophobicContact CB-CD2 4.21Å; V442-L466 HydrophobicContact CG1-CD1 4.39Å; V442-L466 HydrophobicContact CG1-CD2 3.71Å; V442-L466 HydrophobicContact CG1-CG 4.03Å; I443-L466 HydrophobicContact CG1-CD1 3.73Å; I443-L466 HydrophobicContact CG1-CD2 4.24Å; V462-L466 PolarHBondContact O-N 3.2Å; M463-L466 WeakPolarHBondContact O-CB 3.32Å; M463-L466 PolarHBondContact O-N 3.28Å; M463-L466 HydrophobicContact SD-CD1 4.17Å; R464-L466 PolarHBondContact O-N 3.41Å; L466-W478 HydrophobicContact CD2-CH2 4.25Å; L466-Y492 HydrophobicContact CB-CE2 3.82Å; L466-Y492 HydrophobicContact CD1-CD2 3.9Å; L466-Y492 HydrophobicContact CD1-CE2 3.71Å; L466-Y492 HydrophobicContact CG-CE2 4.4Å; L466-Y492 PolarHBondContact O-OH 2.79Å
467	E	97.3	Very high	97.9	Very high	67 Å²	67	29.6 Å²	29.6	31%	0.313	15%	0.146	S	C	.	.	H	α-helix	trans	-91.3	-22	-177.8	-69.1	177.2	161.1	0	0	113.5	M463 R464 S472 R497	M463-E467 WeakPolarHBondContact O-CG 3.41Å; M463-E467 PolarHBondContact O-N 2.81Å; R464-E467 PolarHBondContact O-N 2.64Å; E467-S472 PolarHBondContact O-OG 3.39Å; E467-R497 WeakPolarHBondContact OE1-CG 3.45Å; E467-R497 IonicContact OE1-NE 2.9Å
468	L	96.8	Very high	97.9	Very high	19 Å²	19	30.3 Å²	30.3	10%	0.099	15%	0.149	C	C	.	.	S	Bend	trans	-44.8	131.1	175.5	-89	173	0	0	0	111.6	A422 R464 Q470 V471 S472	A422-L468 HydrophobicContact CB-CD1 3.7Å; R464-L468 WeakPolarHBondContact O-CG 3.29Å; R464-L468 PolarHBondContact O-N 3.28Å; L468-Q470 PolarHBondContact O-N 3.46Å; L468-V471 PolarHBondContact O-N 3.5Å; L468-S472 PolarHBondContact O-N 3.25Å; L468-S472 PolarHBondContact O-OG 3Å; L468-S472 VanDerWaalsContact O-OG 3.04Å
469	P	96.3	Very high	97.9	Very high	86 Å²	86	32.8 Å²	32.8	56%	0.558	16%	0.164	S	C	*	.	H	α-helix	trans	-52.5	-30.1	-173.8	-29.8	35.8	0	0	0	114.7	S472 R473	P469-S472 WeakPolarHBondContact CA-OG 3.43Å; P469-R473 VanDerWaalsContact O-CB 3.3Å; P469-R473 WeakPolarHBondContact O-CB 3.45Å; P469-R473 WeakPolarHBondContact O-CG 3.5Å; P469-R473 PolarHBondContact O-N 3.29Å
470	Q	97.8	Very high	97.9	Very high	7 Å²	7	33.8 Å²	33.8	3%	0.033	17%	0.17	C	C	.	.	H	α-helix	trans	-74.7	-25.6	180	-59.8	82.7	4.5	0	0	113.4	L426 L468 D615 L618 T619 S622	L426-Q470 HydrophobicContact CD1-CB 4.02Å; L468-Q470 PolarHBondContact O-N 3.46Å; Q470-D615 VanDerWaalsContact NE2-CG 3.25Å; Q470-D615 PolarHBondContact NE2-OD1 3.19Å; Q470-D615 PolarHBondContact NE2-OD2 2.79Å; Q470-L618 HydrophobicContact CB-CB 4.21Å; Q470-L618 HydrophobicContact CG-CB 3.79Å; Q470-T619 WeakPolarHBondContact CG-OG1 3.05Å; Q470-T619 PolarHBondContact NE2-OG1 2.83Å; Q470-S622 VanDerWaalsContact O-CB 3.3Å; Q470-S622 WeakPolarHBondContact O-CB 3.33Å; Q470-S622 PolarHBondContact O-OG 3.19Å
471	V	98	Very high	97.9	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-96.7	-43.9	178.5	178.9	0	0	0	0	110.4	A422 V425 L426 L439 A465 L468 R473 L474 W478	A422-V471 HydrophobicContact CB-CG2 3.79Å; V425-V471 HydrophobicContact CG1-CG1 4.43Å; L426-V471 HydrophobicContact CD1-CG2 4.35Å; L426-V471 HydrophobicContact CG-CG2 4.36Å; L439-V471 HydrophobicContact CD1-CG1 4.15Å; A465-V471 WeakPolarHBondContact O-CB 3.39Å; A465-V471 WeakPolarHBondContact O-CG2 3.47Å; L468-V471 PolarHBondContact O-N 3.5Å; V471-R473 VanDerWaalsContact C-N 3.27Å; V471-R473 PolarHBondContact O-N 3.38Å; V471-L474 WeakPolarHBondContact O-CB 3.29Å; V471-L474 WeakPolarHBondContact O-CG 3.11Å; V471-L474 PolarHBondContact O-N 3.4Å; V471-W478 HydrophobicContact CG1-CZ2 4.47Å; V471-W478 PolarHBondContact O-NE1 3.41Å
472	S	97.4	Very high	97.9	Very high	52 Å²	52	39 Å²	39	36%	0.364	19%	0.19	S	C	.	.	H	α-helix	trans	-64.5	-27.9	-179.7	53	0	0	0	0	113.3	E467 L468 P469 L474 W478	E467-S472 PolarHBondContact O-OG 3.39Å; L468-S472 PolarHBondContact O-N 3.25Å; L468-S472 PolarHBondContact O-OG 3Å; L468-S472 VanDerWaalsContact O-OG 3.04Å; P469-S472 WeakPolarHBondContact CA-OG 3.43Å; S472-L474 VanDerWaalsContact C-N 3.31Å; S472-L474 PolarHBondContact O-N 2.74Å; S472-W478 PolarHBondContact O-NE1 3.39Å
473	R	97.3	Very high	97.8	Very high	84 Å²	84	45.2 Å²	45.2	32%	0.317	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.7	176.5	73.2	165.4	-87.6	180	-16.9	116.9	P469 V471 E475 S622 N623 E626	P469-R473 VanDerWaalsContact O-CB 3.3Å; P469-R473 WeakPolarHBondContact O-CB 3.45Å; P469-R473 WeakPolarHBondContact O-CG 3.5Å; P469-R473 PolarHBondContact O-N 3.29Å; V471-R473 VanDerWaalsContact C-N 3.27Å; V471-R473 PolarHBondContact O-N 3.38Å; R473-E475 PolarHBondContact O-N 3.39Å; R473-S622 WeakPolarHBondContact CD-OG 3.27Å; R473-S622 WeakPolarHBondContact CG-OG 3.46Å; R473-N623 VanDerWaalsContact CZ-OD1 3.24Å; R473-N623 PolarHBondContact NH1-OD1 2.89Å; R473-N623 PolarHBondContact NH2-OD1 2.83Å; R473-E626 PolarHBondContact NH2-O 3.09Å
474	L	97.3	Very high	97.8	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	24%	0.243	C	C	.	.			trans	-78.8	65.1	-172.5	-63.1	176.3	0	0	0	111.3	V425 L426 V471 S472 Q476 T477 W478 E626	V425-L474 HydrophobicContact CG1-CD1 4.29Å; L426-L474 HydrophobicContact CD2-CD1 4.02Å; V471-L474 WeakPolarHBondContact O-CB 3.29Å; V471-L474 WeakPolarHBondContact O-CG 3.11Å; V471-L474 PolarHBondContact O-N 3.4Å; S472-L474 VanDerWaalsContact C-N 3.31Å; S472-L474 PolarHBondContact O-N 2.74Å; L474-Q476 VanDerWaalsContact C-N 3.25Å; L474-Q476 PolarHBondContact O-N 3.46Å; L474-T477 CarbonylContact O-C 3.58Å; L474-T477 WeakPolarHBondContact O-CA 3.49Å; L474-T477 WeakPolarHBondContact O-CB 3.33Å; L474-T477 PolarHBondContact O-N 3.38Å; L474-W478 PolarHBondContact O-N 3.32Å; L474-E626 WeakPolarHBondContact CA-OE2 3.26Å; L474-E626 HydrophobicContact CD2-CB 4Å; L474-E626 HydrophobicContact CD2-CG 4.09Å
475	E	97	Very high	97.8	Very high	112 Å²	112	50.8 Å²	50.8	52%	0.523	24%	0.242	S	C	.	.	H	α-helix	trans	-57.2	-31.2	-170.3	-76.6	-71	-168.1	0	0	114.6	R473 T479 R482 E626	R473-E475 PolarHBondContact O-N 3.39Å; E475-T479 WeakPolarHBondContact O-CB 3.32Å; E475-T479 PolarHBondContact O-N 3.47Å; E475-T479 PolarHBondContact O-OG1 2.97Å; E475-R482 IonicContact OE2-CZ 3.56Å; E475-R482 IonicContact OE2-NH2 3.31Å; E475-R482 PolarHBondContact OE2-NH2 3.42Å; E475-E626 PolarHBondContact N-OE2 2.74Å; E475-E626 VanDerWaalsContact N-OE2 3.12Å
476	Q	97.3	Very high	97.8	Very high	115 Å²	115	54.1 Å²	54.1	54%	0.537	26%	0.262	S	S	.	.	H	α-helix	trans	-69.6	-47.8	173.4	-51.7	-176.4	6.9	0	0	109.9	T432 L474 W478 T479 T480 E626	T432-Q476 HydrophobicContact CG2-CB 4.03Å; L474-Q476 VanDerWaalsContact C-N 3.25Å; L474-Q476 PolarHBondContact O-N 3.46Å; Q476-W478 PolarHBondContact O-N 3.27Å; Q476-T479 PolarHBondContact O-N 2.83Å; Q476-T480 PolarHBondContact O-N 3.15Å; Q476-T480 PolarHBondContact O-OG1 2.92Å; Q476-E626 HydrophobicContact CB-CG 4.45Å; Q476-E626 WeakPolarHBondContact CB-OE2 3.4Å; Q476-E626 HydrophobicContact CG-CG 4.45Å; Q476-E626 WeakPolarHBondContact CG-OE2 3.35Å; Q476-E626 PolarHBondContact N-OE2 2.91Å
477	T	98.2	Very high	97.7	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-57.6	-49.4	175.6	-53.4	0	0	0	0	111.9	R435 A436 L439 L474 T479 T480 L481 E626	R435-T477 HydrophobicContact CB-CG2 4.34Å; R435-T477 HydrophobicContact CG-CG2 3.94Å; R435-T477 PolarHBondContact NE-OG1 2.9Å; R435-T477 PolarHBondContact NH2-OG1 3.36Å; R435-T477 VanDerWaalsContact NH2-OG1 3.14Å; A436-T477 HydrophobicContact CB-CG2 4.22Å; L439-T477 HydrophobicContact CB-CG2 4.43Å; L439-T477 HydrophobicContact CD2-CG2 3.76Å; L474-T477 CarbonylContact O-C 3.58Å; L474-T477 WeakPolarHBondContact O-CA 3.49Å; L474-T477 WeakPolarHBondContact O-CB 3.33Å; L474-T477 PolarHBondContact O-N 3.38Å; T477-T479 VanDerWaalsContact C-N 3.3Å; T477-T479 PolarHBondContact O-N 3.28Å; T477-T480 PolarHBondContact O-N 2.98Å; T477-L481 WeakPolarHBondContact O-CB 3.3Å; T477-L481 PolarHBondContact O-N 3.04Å; T477-E626 WeakPolarHBondContact CB-OE1 3.46Å; T477-E626 PolarHBondContact N-OE1 3.2Å; T477-E626 PolarHBondContact OG1-OE1 3.39Å
478	W	98.4	Very high	97.8	Very high	14 Å²	14	59.4 Å²	59.4	5%	0.053	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-32.7	178.3	-72.5	106.9	0	0	0	112.1	L439 I443 L466 V471 S472 L474 Q476 L481 R482 Y492	L439-W478 HydrophobicContact CD1-CH2 4.05Å; L439-W478 HydrophobicContact CD1-CZ2 4Å; L439-W478 HydrophobicContact CD2-CD2 3.75Å; L439-W478 HydrophobicContact CD2-CE3 3.8Å; L439-W478 HydrophobicContact CD2-CG 4.42Å; L439-W478 HydrophobicContact CD2-CH2 3.89Å; L439-W478 HydrophobicContact CD2-CZ2 3.86Å; L439-W478 HydrophobicContact CD2-CZ3 3.86Å; L439-W478 HydrophobicContact CG-CH2 4.16Å; L439-W478 HydrophobicContact CG-CZ2 4.37Å; L439-W478 HydrophobicContact CG-CZ3 4.35Å; I443-W478 HydrophobicContact CD1-CZ3 4.17Å; L466-W478 HydrophobicContact CD2-CH2 4.25Å; V471-W478 HydrophobicContact CG1-CZ2 4.47Å; V471-W478 PolarHBondContact O-NE1 3.41Å; S472-W478 PolarHBondContact O-NE1 3.39Å; L474-W478 PolarHBondContact O-N 3.32Å; Q476-W478 PolarHBondContact O-N 3.27Å; W478-L481 HydrophobicContact CE3-CD2 3.53Å; W478-L481 HydrophobicContact CZ3-CD2 3.57Å; W478-R482 WeakPolarHBondContact O-CB 3.44Å; W478-R482 WeakPolarHBondContact O-CG 3.02Å; W478-R482 PolarHBondContact O-N 2.86Å; W478-R482 PolarHBondContact O-NE 3.44Å; W478-Y492 HydrophobicContact CE3-CE1 4.34Å; W478-Y492 AromaticContact CH2-CD1 3.73Å; W478-Y492 HydrophobicContact CH2-CD1 3.73Å; W478-Y492 AromaticContact CH2-CE1 3.17Å; W478-Y492 HydrophobicContact CH2-CE1 3.17Å; W478-Y492 AromaticContact CH2-CZ 3.73Å; W478-Y492 HydrophobicContact CZ2-CE1 4.1Å; W478-Y492 AromaticContact CZ3-CD1 3.46Å; W478-Y492 HydrophobicContact CZ3-CD1 3.46Å; W478-Y492 VanDerWaalsContact CZ3-CD1 3.46Å; W478-Y492 AromaticContact CZ3-CE1 3.33Å; W478-Y492 HydrophobicContact CZ3-CE1 3.33Å; W478-Y492 HydrophobicContact CZ3-CG 4.5Å
479	T	98.4	Very high	97.9	Very high	52 Å²	52	59 Å²	59	32%	0.319	29%	0.288	S	S	.	.	H	α-helix	trans	-71	-42.4	174.3	-60.5	0	0	0	0	112.1	E475 Q476 T477 L481 R482 Q483	E475-T479 WeakPolarHBondContact O-CB 3.32Å; E475-T479 PolarHBondContact O-N 3.47Å; E475-T479 PolarHBondContact O-OG1 2.97Å; Q476-T479 PolarHBondContact O-N 2.83Å; T477-T479 VanDerWaalsContact C-N 3.3Å; T477-T479 PolarHBondContact O-N 3.28Å; T479-L481 VanDerWaalsContact C-N 3.34Å; T479-L481 PolarHBondContact O-N 2.95Å; T479-R482 PolarHBondContact O-N 3.06Å; T479-R482 PolarHBondContact OG1-NH2 3.39Å; T479-Q483 VanDerWaalsContact O-CG 3.28Å; T479-Q483 WeakPolarHBondContact O-CG 3.39Å; T479-Q483 PolarHBondContact O-N 3.07Å
480	T	98.6	Very high	97.9	Very high	21 Å²	21	59.5 Å²	59.5	13%	0.129	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-37.3	173	-58.5	0	0	0	0	111.7	E433 A436 Q476 T477 Q483 R484	E433-T480 HydrophobicContact CB-CG2 4.46Å; E433-T480 HydrophobicContact CG-CG2 4.09Å; A436-T480 HydrophobicContact CB-CG2 3.8Å; Q476-T480 PolarHBondContact O-N 3.15Å; Q476-T480 PolarHBondContact O-OG1 2.92Å; T477-T480 PolarHBondContact O-N 2.98Å; T480-Q483 PolarHBondContact O-N 3.48Å; T480-R484 HydrophobicContact CG2-CG 4.13Å; T480-R484 WeakPolarHBondContact O-CB 3.5Å; T480-R484 PolarHBondContact O-N 3.26Å
481	L	98.6	Very high	98	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.3	-50.5	170.4	-175.7	85.1	0	0	0	110.8	A436 L439 N440 I443 T477 W478 T479 Q483 R484 H485 A489	A436-L481 HydrophobicContact CB-CB 4.34Å; A436-L481 WeakPolarHBondContact O-CD1 3.41Å; L439-L481 HydrophobicContact CB-CD1 4.49Å; L439-L481 HydrophobicContact CD2-CD2 4.18Å; N440-L481 HydrophobicContact CB-CD1 3.65Å; I443-L481 HydrophobicContact CD1-CD1 4.43Å; I443-L481 HydrophobicContact CD1-CD2 3.76Å; T477-L481 WeakPolarHBondContact O-CB 3.3Å; T477-L481 PolarHBondContact O-N 3.04Å; W478-L481 HydrophobicContact CE3-CD2 3.53Å; W478-L481 HydrophobicContact CZ3-CD2 3.57Å; T479-L481 VanDerWaalsContact C-N 3.34Å; T479-L481 PolarHBondContact O-N 2.95Å; L481-Q483 PolarHBondContact O-N 3.36Å; L481-R484 PolarHBondContact O-N 3.24Å; L481-H485 HydrophobicContact CD1-CB 3.92Å; L481-H485 HydrophobicContact CG-CB 4.41Å; L481-H485 CarbonylContact O-C 3.55Å; L481-H485 VanDerWaalsContact O-CA 3.31Å; L481-H485 WeakPolarHBondContact O-CA 3.23Å; L481-H485 PolarHBondContact O-N 2.95Å; L481-A489 HydrophobicContact CD2-CB 4.01Å; L481-A489 HydrophobicContact CG-CB 4.24Å
482	R	98.5	Very high	98	Very high	113 Å²	113	62 Å²	62	43%	0.426	30%	0.298	S	S	.	.	H	α-helix	trans	-60.2	-23.6	177	-72.8	176.1	-69.6	-126.3	8	113.4	E475 W478 T479 T486 A489	E475-R482 IonicContact OE2-CZ 3.56Å; E475-R482 IonicContact OE2-NH2 3.31Å; E475-R482 PolarHBondContact OE2-NH2 3.42Å; W478-R482 WeakPolarHBondContact O-CB 3.44Å; W478-R482 WeakPolarHBondContact O-CG 3.02Å; W478-R482 PolarHBondContact O-N 2.86Å; W478-R482 PolarHBondContact O-NE 3.44Å; T479-R482 PolarHBondContact O-N 3.06Å; T479-R482 PolarHBondContact OG1-NH2 3.39Å; R482-T486 PolarHBondContact O-OG1 2.85Å; R482-A489 HydrophobicContact CG-CB 4Å
483	Q	98.1	Very high	98	Very high	130 Å²	130	63.2 Å²	63.2	61%	0.607	30%	0.298	S	S	*	.	H	α-helix	trans	-94.8	-34.3	-179.8	-72.3	170.3	-7.7	0	0	114.7	T479 T480 L481	T479-Q483 VanDerWaalsContact O-CG 3.28Å; T479-Q483 WeakPolarHBondContact O-CG 3.39Å; T479-Q483 PolarHBondContact O-N 3.07Å; T480-Q483 PolarHBondContact O-N 3.48Å; L481-Q483 PolarHBondContact O-N 3.36Å
484	R	97.8	Very high	98	Very high	135 Å²	135	66.7 Å²	66.7	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-108.7	-20.2	-173.6	-61.1	-62.7	-173	73.8	11	113.8	E433 T480 L481	E433-R484 VanDerWaalsContact CD-NH2 3.34Å; E433-R484 IonicContact OE1-CZ 3.28Å; E433-R484 IonicContact OE1-NH1 2.78Å; E433-R484 PolarHBondContact OE1-NH1 2.93Å; E433-R484 IonicContact OE1-NH2 3.65Å; E433-R484 PolarHBondContact OE1-NH2 3.39Å; E433-R484 IonicContact OE2-CZ 2.7Å; E433-R484 IonicContact OE2-NH1 3.16Å; E433-R484 PolarHBondContact OE2-NH1 2.84Å; E433-R484 IonicContact OE2-NH2 3.73Å; T480-R484 HydrophobicContact CG2-CG 4.13Å; T480-R484 WeakPolarHBondContact O-CB 3.5Å; T480-R484 PolarHBondContact O-N 3.26Å; L481-R484 PolarHBondContact O-N 3.24Å
485	H	97.9	Very high	98	Very high	55 Å²	55	69.7 Å²	69.7	26%	0.255	33%	0.334	S	S	.	.			trans	-137.5	46.4	-173.6	-60.4	-40.4	0	0	0	110.7	A437 N440 L481 E487 G488 A489	A437-H485 WeakPolarHBondContact CA-NE2 3.32Å; N440-H485 HydrophobicContact CB-CB 4.12Å; N440-H485 WeakPolarHBondContact ND2-CB 3.49Å; N440-H485 PolarHBondContact ND2-ND1 3.02Å; L481-H485 HydrophobicContact CD1-CB 3.92Å; L481-H485 HydrophobicContact CG-CB 4.41Å; L481-H485 CarbonylContact O-C 3.55Å; L481-H485 VanDerWaalsContact O-CA 3.31Å; L481-H485 WeakPolarHBondContact O-CA 3.23Å; L481-H485 PolarHBondContact O-N 2.95Å; H485-E487 VanDerWaalsContact C-N 3.26Å; H485-E487 PolarHBondContact O-N 3.36Å; H485-G488 WeakPolarHBondContact O-CA 3.32Å; H485-G488 PolarHBondContact O-N 3.06Å; H485-A489 PolarHBondContact O-N 3.28Å
486	T	98.1	Very high	98.1	Very high	72 Å²	72	64.4 Å²	64.4	44%	0.442	31%	0.309	S	S	.	.	H	α-helix	trans	-52.7	-40.7	-171.7	-38.7	0	0	0	0	113.1	R482 A489 I490	R482-T486 PolarHBondContact O-OG1 2.85Å; T486-A489 PolarHBondContact O-N 2.84Å; T486-I490 HydrophobicContact CG2-CD1 4.1Å; T486-I490 WeakPolarHBondContact O-CB 3.33Å; T486-I490 VanDerWaalsContact O-CG1 3.28Å; T486-I490 WeakPolarHBondContact O-CG1 3.22Å; T486-I490 PolarHBondContact O-N 3.14Å
487	E	97.7	Very high	98.1	Very high	171 Å²	171	62.8 Å²	62.8	80%	0.799	30%	0.298	S	S	*	.	H	α-helix	trans	-62.4	-42.5	176.5	-62.5	-177.4	159.5	0	0	112.5	H485 I490 L491	H485-E487 VanDerWaalsContact C-N 3.26Å; H485-E487 PolarHBondContact O-N 3.36Å; E487-I490 PolarHBondContact O-N 3.11Å; E487-L491 VanDerWaalsContact O-CB 3.24Å; E487-L491 WeakPolarHBondContact O-CB 3.44Å; E487-L491 PolarHBondContact O-N 3.4Å
488	G	97.9	Very high	98	Very high	7 Å²	7	66 Å²	66	7%	0.072	32%	0.319	C	S	.	.	H	α-helix	trans	-66	-40.4	175.8	0	0	0	0	0	112.3	H485 L491 Y492	H485-G488 WeakPolarHBondContact O-CA 3.32Å; H485-G488 PolarHBondContact O-N 3.06Å; G488-L491 PolarHBondContact O-N 3.48Å; G488-Y492 WeakPolarHBondContact O-CB 3.41Å; G488-Y492 PolarHBondContact O-N 3.4Å
489	A	98.3	Very high	98	Very high	11 Å²	11	66.4 Å²	66.4	9%	0.091	32%	0.321	C	S	.	.	H	α-helix	trans	-63	-42.2	173.9	0	0	0	0	0	112.1	L481 R482 H485 T486 E493	L481-A489 HydrophobicContact CD2-CB 4.01Å; L481-A489 HydrophobicContact CG-CB 4.24Å; R482-A489 HydrophobicContact CG-CB 4Å; H485-A489 PolarHBondContact O-N 3.28Å; T486-A489 PolarHBondContact O-N 2.84Å; A489-E493 WeakPolarHBondContact O-CB 3.27Å; A489-E493 WeakPolarHBondContact O-CG 3.46Å; A489-E493 PolarHBondContact O-N 3.06Å; A489-E493 VanDerWaalsContact O-N 3.1Å
490	I	98.3	Very high	97.8	Very high	97 Å²	97	64.3 Å²	64.3	50%	0.497	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-46	175.3	-70	166	0	0	0	110.7	T486 E487 Y492 E493 K494	T486-I490 HydrophobicContact CG2-CD1 4.1Å; T486-I490 WeakPolarHBondContact O-CB 3.33Å; T486-I490 VanDerWaalsContact O-CG1 3.28Å; T486-I490 WeakPolarHBondContact O-CG1 3.22Å; T486-I490 PolarHBondContact O-N 3.14Å; E487-I490 PolarHBondContact O-N 3.11Å; I490-Y492 VanDerWaalsContact C-N 3.34Å; I490-Y492 PolarHBondContact O-N 3.11Å; I490-E493 PolarHBondContact O-N 3.48Å; I490-K494 HydrophobicContact CG2-CB 4.35Å; I490-K494 HydrophobicContact CG2-CG 4.21Å; I490-K494 WeakPolarHBondContact O-CA 3.34Å; I490-K494 VanDerWaalsContact O-CB 3.25Å; I490-K494 WeakPolarHBondContact O-CB 3.32Å; I490-K494 PolarHBondContact O-N 2.95Å
491	L	98.5	Very high	97.6	Very high	57 Å²	57	69.5 Å²	69.5	30%	0.298	33%	0.329	S	S	.	.	H	α-helix	trans	-56.6	-46.7	179	179.3	63.5	0	0	0	111.5	I443 A447 E487 G488 T495 L496	I443-L491 HydrophobicContact CG2-CD2 4.38Å; A447-L491 HydrophobicContact CB-CD2 3.83Å; E487-L491 VanDerWaalsContact O-CB 3.24Å; E487-L491 WeakPolarHBondContact O-CB 3.44Å; E487-L491 PolarHBondContact O-N 3.4Å; G488-L491 PolarHBondContact O-N 3.48Å; L491-T495 HydrophobicContact CD1-CG2 4.41Å; L491-T495 CarbonylContact O-C 3.59Å; L491-T495 WeakPolarHBondContact O-CA 3.47Å; L491-T495 VanDerWaalsContact O-CB 3.28Å; L491-T495 WeakPolarHBondContact O-CB 3.38Å; L491-T495 PolarHBondContact O-N 3.22Å; L491-L496 HydrophobicContact CD1-CD2 4.48Å; L491-L496 HydrophobicContact CG-CD1 4.31Å; L491-L496 HydrophobicContact CG-CG 4.22Å; L491-L496 PolarHBondContact O-N 3.15Å
492	Y	98.6	Very high	97.3	Very high	2 Å²	2	71 Å²	71	1%	0.008	34%	0.339	C	S	.	.	I	π-helix	trans	-62.5	-54.7	176.2	174.5	-124.2	0	0	0	112.5	I443 M463 L466 W478 G488 I490 L496 R497	I443-Y492 HydrophobicContact CD1-CD1 4.46Å; I443-Y492 HydrophobicContact CD1-CG 4.2Å; I443-Y492 HydrophobicContact CG1-CG 4.31Å; M463-Y492 HydrophobicContact CE-CD2 3.91Å; M463-Y492 HydrophobicContact CE-CE2 3.64Å; M463-Y492 HydrophobicContact SD-CD2 4.07Å; M463-Y492 HydrophobicContact SD-CE2 4.07Å; L466-Y492 HydrophobicContact CB-CE2 3.82Å; L466-Y492 HydrophobicContact CD1-CD2 3.9Å; L466-Y492 HydrophobicContact CD1-CE2 3.71Å; L466-Y492 HydrophobicContact CG-CE2 4.4Å; L466-Y492 PolarHBondContact O-OH 2.79Å; W478-Y492 HydrophobicContact CE3-CE1 4.34Å; W478-Y492 AromaticContact CH2-CD1 3.73Å; W478-Y492 HydrophobicContact CH2-CD1 3.73Å; W478-Y492 AromaticContact CH2-CE1 3.17Å; W478-Y492 HydrophobicContact CH2-CE1 3.17Å; W478-Y492 AromaticContact CH2-CZ 3.73Å; W478-Y492 HydrophobicContact CZ2-CE1 4.1Å; W478-Y492 AromaticContact CZ3-CD1 3.46Å; W478-Y492 HydrophobicContact CZ3-CD1 3.46Å; W478-Y492 VanDerWaalsContact CZ3-CD1 3.46Å; W478-Y492 AromaticContact CZ3-CE1 3.33Å; W478-Y492 HydrophobicContact CZ3-CE1 3.33Å; W478-Y492 HydrophobicContact CZ3-CG 4.5Å; G488-Y492 WeakPolarHBondContact O-CB 3.41Å; G488-Y492 PolarHBondContact O-N 3.4Å; I490-Y492 VanDerWaalsContact C-N 3.34Å; I490-Y492 PolarHBondContact O-N 3.11Å; Y492-L496 PolarHBondContact O-N 3.15Å; Y492-R497 PolarHBondContact O-N 3.37Å; Y492-R497 PolarHBondContact OH-NH2 3.19Å
493	E	98.1	Very high	97	Very high	78 Å²	78	65.8 Å²	65.8	36%	0.364	32%	0.32	S	S	.	.	I	π-helix	trans	-73.6	-30.6	-173.4	-72.5	-67.1	144.8	0	0	114.3	A489 I490 R497	A489-E493 WeakPolarHBondContact O-CB 3.27Å; A489-E493 WeakPolarHBondContact O-CG 3.46Å; A489-E493 PolarHBondContact O-N 3.06Å; A489-E493 VanDerWaalsContact O-N 3.1Å; I490-E493 PolarHBondContact O-N 3.48Å; E493-R497 IonicContact OE1-CZ 3.34Å; E493-R497 VanDerWaalsContact OE1-CZ 3.28Å; E493-R497 IonicContact OE1-NH1 2.7Å; E493-R497 PolarHBondContact OE1-NH1 3.19Å; E493-R497 IonicContact OE1-NH2 3.37Å; E493-R497 PolarHBondContact OE1-NH2 3.26Å; E493-R497 IonicContact OE2-CZ 3.02Å; E493-R497 IonicContact OE2-NH1 3.41Å; E493-R497 PolarHBondContact OE2-NH1 2.85Å; E493-R497 IonicContact OE2-NH2 3.51Å
494	K	97.3	Very high	96.7	Very high	157 Å²	157	61.5 Å²	61.5	68%	0.683	30%	0.301	S	S	*	.	I	π-helix	trans	-110.2	-13.6	-172.9	-57.1	-56.2	-175.2	-171.9	0	114.6	I490	I490-K494 HydrophobicContact CG2-CB 4.35Å; I490-K494 HydrophobicContact CG2-CG 4.21Å; I490-K494 WeakPolarHBondContact O-CA 3.34Å; I490-K494 VanDerWaalsContact O-CB 3.25Å; I490-K494 WeakPolarHBondContact O-CB 3.32Å; I490-K494 PolarHBondContact O-N 2.95Å
495	T	97.4	Very high	96.3	Very high	64 Å²	64	57 Å²	57	39%	0.393	29%	0.287	S	S	.	.	I	π-helix	trans	-126	-53.5	179.7	-48.5	0	0	0	0	112.3	L491 F499	L491-T495 HydrophobicContact CD1-CG2 4.41Å; L491-T495 CarbonylContact O-C 3.59Å; L491-T495 WeakPolarHBondContact O-CA 3.47Å; L491-T495 VanDerWaalsContact O-CB 3.28Å; L491-T495 WeakPolarHBondContact O-CB 3.38Å; L491-T495 PolarHBondContact O-N 3.22Å; T495-F499 WeakPolarHBondContact O-CB 3.46Å; T495-F499 PolarHBondContact O-N 3.08Å
496	L	98.3	Very high	95.7	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.285	C	S	.	.	I	π-helix	trans	-75.1	-48.9	-171.3	-54.8	-175.8	0	0	0	112.9	I443 A446 A447 K450 F459 M463 L491 Y492 F499 L500	I443-L496 HydrophobicContact CG2-CD1 4.07Å; A446-L496 HydrophobicContact CB-CD1 3.89Å; A447-L496 HydrophobicContact CB-CD1 4.49Å; K450-L496 HydrophobicContact CD-CD2 3.74Å; F459-L496 HydrophobicContact CE2-CB 4.15Å; F459-L496 HydrophobicContact CE2-CD2 4.08Å; F459-L496 HydrophobicContact CE2-CG 4.5Å; F459-L496 HydrophobicContact CZ-CB 4.37Å; M463-L496 HydrophobicContact CE-CB 3.91Å; M463-L496 HydrophobicContact SD-CB 3.71Å; M463-L496 HydrophobicContact SD-CD1 4.3Å; L491-L496 HydrophobicContact CD1-CD2 4.48Å; L491-L496 HydrophobicContact CG-CD1 4.31Å; L491-L496 HydrophobicContact CG-CG 4.22Å; L491-L496 PolarHBondContact O-N 3.15Å; Y492-L496 PolarHBondContact O-N 3.15Å; L496-F499 PolarHBondContact O-N 2.92Å; L496-L500 PolarHBondContact O-N 3.26Å
497	R	97.4	Very high	94.9	Very high	81 Å²	81	59.7 Å²	59.7	31%	0.306	29%	0.294	S	S	.	.	H	α-helix	trans	-64.4	-46.1	178.1	-168.4	-175	-57.8	127.4	3.9	112.8	M463 E467 Y492 E493 F499 L500 K501	M463-R497 HydrophobicContact CE-CB 4.02Å; E467-R497 WeakPolarHBondContact OE1-CG 3.45Å; E467-R497 IonicContact OE1-NE 2.9Å; Y492-R497 PolarHBondContact O-N 3.37Å; Y492-R497 PolarHBondContact OH-NH2 3.19Å; E493-R497 IonicContact OE1-CZ 3.34Å; E493-R497 VanDerWaalsContact OE1-CZ 3.28Å; E493-R497 IonicContact OE1-NH1 2.7Å; E493-R497 PolarHBondContact OE1-NH1 3.19Å; E493-R497 IonicContact OE1-NH2 3.37Å; E493-R497 PolarHBondContact OE1-NH2 3.26Å; E493-R497 IonicContact OE2-CZ 3.02Å; E493-R497 IonicContact OE2-NH1 3.41Å; E493-R497 PolarHBondContact OE2-NH1 2.85Å; E493-R497 IonicContact OE2-NH2 3.51Å; R497-F499 VanDerWaalsContact C-N 3.3Å; R497-F499 PolarHBondContact O-N 3.41Å; R497-L500 PolarHBondContact O-N 2.67Å; R497-K501 PolarHBondContact O-N 3.49Å
498	P	96.8	Very high	94.2	Very high	68 Å²	68	55.1 Å²	55.1	44%	0.442	27%	0.272	S	S	.	.	H	α-helix	trans	-60.2	-38.5	176.1	-25.8	36.7	0	0	0	113.1	K501 S502	P498-K501 PolarHBondContact O-N 3.46Å; P498-S502 WeakPolarHBondContact O-CB 3.48Å; P498-S502 PolarHBondContact O-N 3.37Å
499	F	96.8	Very high	93	Very high	22 Å²	22	58.1 Å²	58.1	10%	0.096	29%	0.292	C	S	.	.	H	α-helix	trans	-67.1	-43.5	176.4	174.9	-96.9	0	0	0	112.7	K450 M456 F459 T495 L496 R497 K501 S502 L503 E508	K450-F499 HydrophobicContact CD-CD1 3.87Å; K450-F499 HydrophobicContact CD-CE1 3.9Å; K450-F499 HydrophobicContact CD-CG 4.29Å; K450-F499 HydrophobicContact CD-CZ 4.37Å; K450-F499 VanDerWaalsContact CE-CD2 3.4Å; K450-F499 VanDerWaalsContact CE-CE1 3.43Å; K450-F499 HydrophobicContact CG-CD1 4.31Å; K450-F499 HydrophobicContact CG-CE1 3.83Å; K450-F499 HydrophobicContact CG-CZ 4.17Å; M456-F499 HydrophobicContact SD-CE1 3.96Å; M456-F499 HydrophobicContact SD-CZ 3.91Å; F459-F499 HydrophobicContact CD1-CD1 4.44Å; F459-F499 HydrophobicContact CD1-CE1 4.21Å; F459-F499 AromaticContact CE1-CD1 3.56Å; F459-F499 HydrophobicContact CE1-CD1 3.56Å; F459-F499 AromaticContact CE1-CE1 3.76Å; F459-F499 HydrophobicContact CE1-CE1 3.76Å; F459-F499 AromaticContact CZ-CD1 3.73Å; F459-F499 HydrophobicContact CZ-CD1 3.73Å; F459-F499 HydrophobicContact CZ-CE1 4.25Å; T495-F499 WeakPolarHBondContact O-CB 3.46Å; T495-F499 PolarHBondContact O-N 3.08Å; L496-F499 PolarHBondContact O-N 2.92Å; R497-F499 VanDerWaalsContact C-N 3.3Å; R497-F499 PolarHBondContact O-N 3.41Å; F499-K501 VanDerWaalsContact C-N 3.29Å; F499-K501 PolarHBondContact O-N 3.3Å; F499-S502 PolarHBondContact O-N 3.22Å; F499-L503 HydrophobicContact CD1-CD1 3.78Å; F499-L503 HydrophobicContact CD1-CG 4.42Å; F499-L503 HydrophobicContact CE1-CD1 3.32Å; F499-L503 HydrophobicContact CE1-CG 4.12Å; F499-L503 HydrophobicContact CZ-CD1 3.82Å; F499-L503 HydrophobicContact CZ-CG 4.24Å; F499-L503 WeakPolarHBondContact O-CG 3.45Å; F499-L503 PolarHBondContact O-N 3.36Å; F499-E508 HydrophobicContact CD2-CG 3.74Å; F499-E508 VanDerWaalsContact CD2-OE1 3.29Å; F499-E508 WeakPolarHBondContact CD2-OE1 3.41Å; F499-E508 HydrophobicContact CE2-CG 3.47Å; F499-E508 VanDerWaalsContact CE2-CG 3.47Å; F499-E508 VanDerWaalsContact CE2-OE1 3.26Å; F499-E508 WeakPolarHBondContact CE2-OE1 3.44Å; F499-E508 HydrophobicContact CZ-CG 4.26Å
500	L	95.8	Very high	92	Very high	9 Å²	9	59 Å²	59	5%	0.047	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-38.5	174.3	178.8	60.7	0	0	0	111.6	F459 A460 M463 L496 R497 L503 N504	F459-L500 HydrophobicContact CE1-CB 3.94Å; F459-L500 HydrophobicContact CE1-CD1 4.13Å; F459-L500 HydrophobicContact CZ-CB 4.12Å; A460-L500 HydrophobicContact CB-CD1 3.96Å; M463-L500 HydrophobicContact CB-CD2 3.45Å; M463-L500 VanDerWaalsContact CB-CD2 3.45Å; M463-L500 HydrophobicContact CE-CD2 4.41Å; M463-L500 HydrophobicContact CG-CD2 4.06Å; L496-L500 PolarHBondContact O-N 3.26Å; R497-L500 PolarHBondContact O-N 2.67Å; L500-L503 WeakPolarHBondContact O-CB 3.43Å; L500-L503 PolarHBondContact O-N 2.98Å; L500-N504 WeakPolarHBondContact O-CB 3.38Å; L500-N504 VanDerWaalsContact O-CG 3.32Å; L500-N504 PolarHBondContact O-N 3.36Å
501	K	93.3	Very high	90.9	Very high	129 Å²	129	58.2 Å²	58.2	56%	0.561	30%	0.298	S	S	*	.	H	α-helix	trans	-61.4	-49.8	173	-179.9	171.2	177.1	177.3	0	111.3	R497 P498 F499 L503 N504 D505	R497-K501 PolarHBondContact O-N 3.49Å; P498-K501 PolarHBondContact O-N 3.46Å; F499-K501 VanDerWaalsContact C-N 3.29Å; F499-K501 PolarHBondContact O-N 3.3Å; K501-L503 PolarHBondContact O-N 2.7Å; K501-N504 PolarHBondContact O-N 3.32Å; K501-D505 WeakPolarHBondContact CE-OD2 3.5Å; K501-D505 WeakPolarHBondContact CG-OD2 3.43Å; K501-D505 WeakPolarHBondContact O-CB 3.44Å; K501-D505 VanDerWaalsContact O-CG 3.26Å; K501-D505 PolarHBondContact O-N 3.25Å
502	S	92.8	Very high	89.7	Confident	31 Å²	31	58.8 Å²	58.8	22%	0.217	30%	0.301	C	S	.	.	H	α-helix	trans	-56.2	-37.6	177.6	-165.3	0	0	0	0	112.3	P498 F499 G506 R507 E508	P498-S502 WeakPolarHBondContact O-CB 3.48Å; P498-S502 PolarHBondContact O-N 3.37Å; F499-S502 PolarHBondContact O-N 3.22Å; S502-G506 PolarHBondContact O-N 3.35Å; S502-R507 PolarHBondContact O-N 3.38Å; S502-E508 WeakPolarHBondContact CB-OE2 3.2Å; S502-E508 PolarHBondContact O-N 3.25Å; S502-E508 WeakPolarHBondContact OG-CB 3.33Å; S502-E508 PolarHBondContact OG-OE2 2.86Å
503	L	92	Very high	88.7	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-47.5	171.7	-78.5	173.3	0	0	0	113	M456 F459 F499 L500 K501 D505 G506 E508 C510 H519 H553	M456-L503 HydrophobicContact SD-CD1 4.27Å; F459-L503 HydrophobicContact CD1-CD1 4.38Å; F459-L503 HydrophobicContact CE1-CD1 4.15Å; F499-L503 HydrophobicContact CD1-CD1 3.78Å; F499-L503 HydrophobicContact CD1-CG 4.42Å; F499-L503 HydrophobicContact CE1-CD1 3.32Å; F499-L503 HydrophobicContact CE1-CG 4.12Å; F499-L503 HydrophobicContact CZ-CD1 3.82Å; F499-L503 HydrophobicContact CZ-CG 4.24Å; F499-L503 WeakPolarHBondContact O-CG 3.45Å; F499-L503 PolarHBondContact O-N 3.36Å; L500-L503 WeakPolarHBondContact O-CB 3.43Å; L500-L503 PolarHBondContact O-N 2.98Å; K501-L503 PolarHBondContact O-N 2.7Å; L503-D505 VanDerWaalsContact C-N 3.33Å; L503-D505 PolarHBondContact O-N 2.86Å; L503-G506 PolarHBondContact O-N 2.66Å; L503-G506 VanDerWaalsContact O-N 3.07Å; L503-E508 HydrophobicContact CB-CB 4.46Å; L503-E508 HydrophobicContact CD2-CB 3.77Å; L503-E508 HydrophobicContact CD2-CG 3.98Å; L503-E508 HydrophobicContact CG-CB 3.91Å; L503-E508 HydrophobicContact CG-CG 4.08Å; L503-C510 WeakPolarHBondContact CD2-SG 3.14Å; L503-H519 HydrophobicContact CD2-CB 4.09Å; L503-H553 PolarHBondContact O-CE1 3.19Å; L503-H553 VanDerWaalsContact O-CE1 3.28Å
504	N	91.3	Very high	88	Confident	39 Å²	39	59.2 Å²	59.2	21%	0.209	31%	0.313	C	S	.	.	H	α-helix	trans	-66.1	-35.1	179.6	-73.3	-16.2	0	0	0	112.4	L500 K501 G506 H519 P539 H553	L500-N504 WeakPolarHBondContact O-CB 3.38Å; L500-N504 VanDerWaalsContact O-CG 3.32Å; L500-N504 PolarHBondContact O-N 3.36Å; K501-N504 PolarHBondContact O-N 3.32Å; N504-G506 PolarHBondContact O-N 2.58Å; N504-H519 PolarHBondContact OD1-CE1 3.21Å; N504-H519 PolarHBondContact OD1-NE2 3.08Å; N504-P539 HydrophobicContact CB-CG 4.16Å; N504-H553 PolarHBondContact O-NE2 3.21Å
505	D	89.2	Confident	87.9	Confident	41 Å²	41	51.9 Å²	51.9	22%	0.219	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-4.5	173.8	-63.3	-12.8	0	0	0	112.4	K501 L503 R507	K501-D505 WeakPolarHBondContact CE-OD2 3.5Å; K501-D505 WeakPolarHBondContact CG-OD2 3.43Å; K501-D505 WeakPolarHBondContact O-CB 3.44Å; K501-D505 VanDerWaalsContact O-CG 3.26Å; K501-D505 PolarHBondContact O-N 3.25Å; L503-D505 VanDerWaalsContact C-N 3.33Å; L503-D505 PolarHBondContact O-N 2.86Å; D505-R507 VanDerWaalsContact C-N 3.26Å; D505-R507 HydrophobicContact CB-CG 4.4Å; D505-R507 PolarHBondContact O-N 3.09Å
506	G	85.4	Confident	87.9	Confident	21 Å²	21	48.8 Å²	48.8	22%	0.216	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	11.5	179.4	0	0	0	0	0	114.8	S502 L503 N504	S502-G506 PolarHBondContact O-N 3.35Å; L503-G506 PolarHBondContact O-N 2.66Å; L503-G506 VanDerWaalsContact O-N 3.07Å; N504-G506 PolarHBondContact O-N 2.58Å
507	R	81.7	Confident	87.9	Confident	163 Å²	163	48.8 Å²	48.8	62%	0.615	26%	0.262	S	S	*	.			trans	-98	-17.7	-172.2	-67	177	176.8	-127.3	-4.5	113.4	S502 D505 E548 L552	S502-R507 PolarHBondContact O-N 3.38Å; D505-R507 VanDerWaalsContact C-N 3.26Å; D505-R507 HydrophobicContact CB-CG 4.4Å; D505-R507 PolarHBondContact O-N 3.09Å; R507-E548 IonicContact CZ-OE2 2.75Å; R507-E548 IonicContact NH2-OE1 3.11Å; R507-E548 PolarHBondContact NH2-OE1 2.73Å; R507-E548 IonicContact NH2-OE2 3.27Å; R507-E548 PolarHBondContact NH2-OE2 2.8Å; R507-L552 HydrophobicContact CG-CD1 4.47Å
508	E	82.4	Confident	87.9	Confident	75 Å²	75	45.2 Å²	45.2	35%	0.35	25%	0.25	S	C	.	.			trans	-88.3	129	175	-163.2	74	-164.6	0	0	112.3	F499 S502 L503	F499-E508 HydrophobicContact CD2-CG 3.74Å; F499-E508 VanDerWaalsContact CD2-OE1 3.29Å; F499-E508 WeakPolarHBondContact CD2-OE1 3.41Å; F499-E508 HydrophobicContact CE2-CG 3.47Å; F499-E508 VanDerWaalsContact CE2-CG 3.47Å; F499-E508 VanDerWaalsContact CE2-OE1 3.26Å; F499-E508 WeakPolarHBondContact CE2-OE1 3.44Å; F499-E508 HydrophobicContact CZ-CG 4.26Å; S502-E508 WeakPolarHBondContact CB-OE2 3.2Å; S502-E508 PolarHBondContact O-N 3.25Å; S502-E508 WeakPolarHBondContact OG-CB 3.33Å; S502-E508 PolarHBondContact OG-OE2 2.86Å; L503-E508 HydrophobicContact CB-CB 4.46Å; L503-E508 HydrophobicContact CD2-CB 3.77Å; L503-E508 HydrophobicContact CD2-CG 3.98Å; L503-E508 HydrophobicContact CG-CB 3.91Å; L503-E508 HydrophobicContact CG-CG 4.08Å
509	S	73.6	Confident	87.8	Confident	69 Å²	69	42.8 Å²	42.8	48%	0.483	23%	0.233	S	C	.	.			trans	-105	109.1	174.1	62.5	0	0	0	0	112.2	P45	P45-S509 WeakPolarHBondContact CD-OG 3.29Å
510	C	76.8	Confident	87.8	Confident	30 Å²	30	41.9 Å²	41.9	20%	0.203	23%	0.229	C	C	.	.			trans	-67.5	130.9	174.9	-50.7	0	0	0	0	111.4	M456 L503 L512 T515	M456-C510 HydrophobicContact CG-CB 4.42Å; M456-C510 VanDerWaalsContact CG-SG 3.56Å; M456-C510 VanDerWaalsContact SD-SG 3.67Å; L503-C510 WeakPolarHBondContact CD2-SG 3.14Å; C510-L512 PolarHBondContact O-N 2.81Å; C510-T515 HydrophobicContact CB-CG2 4.45Å; C510-T515 VanDerWaalsContact CB-OG1 3.32Å; C510-T515 WeakPolarHBondContact CB-OG1 3.49Å
511	P	74.9	Confident	87.7	Confident	80 Å²	80	42.4 Å²	42.4	52%	0.519	23%	0.231	S	C	.	.			trans	-63.1	124.3	179.2	-23	33.3	0	0	0	112.4	S513 S514 T515	P511-S513 PolarHBondContact O-N 2.75Å; P511-S513 VanDerWaalsContact O-N 3.15Å; P511-S514 PolarHBondContact O-N 3.34Å; P511-S514 VanDerWaalsContact O-N 3.08Å; P511-S514 PolarHBondContact O-OG 3.1Å; P511-T515 WeakPolarHBondContact O-CB 3.15Å; P511-T515 PolarHBondContact O-N 3.07Å; P511-T515 PolarHBondContact O-OG1 2.92Å
512	L	74.8	Confident	87.7	Confident	70 Å²	70	36.4 Å²	36.4	37%	0.366	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.8	-177.7	-66.9	167.1	0	0	0	113.5	C510 L563 I566 Y567 N570	C510-L512 PolarHBondContact O-N 2.81Å; L512-L563 HydrophobicContact CD1-CD1 3.57Å; L512-L563 HydrophobicContact CD2-CD1 3.81Å; L512-L563 HydrophobicContact CG-CD1 4.33Å; L512-I566 VanDerWaalsContact O-CG2 3.23Å; L512-I566 WeakPolarHBondContact O-CG2 3.39Å; L512-Y567 HydrophobicContact CD2-CE1 4.25Å; L512-Y567 WeakPolarHBondContact CD2-OH 3.34Å; L512-N570 PolarHBondContact O-ND2 3.13Å
513	S	75.7	Confident	87.8	Confident	56 Å²	56	35.4 Å²	35.4	39%	0.392	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-16	177	55.3	0	0	0	0	114.3	P511	P511-S513 PolarHBondContact O-N 2.75Å; P511-S513 VanDerWaalsContact O-N 3.15Å
514	S	84.9	Confident	87.9	Confident	32 Å²	32	35.2 Å²	35.2	22%	0.224	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-31.4	177.3	60.9	0	0	0	0	113.5	P511 T516	P511-S514 PolarHBondContact O-N 3.34Å; P511-S514 VanDerWaalsContact O-N 3.08Å; P511-S514 PolarHBondContact O-OG 3.1Å; S514-T516 PolarHBondContact O-N 2.8Å
515	T	94.4	Very high	87.9	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.018	19%	0.193	C	C	.	.			trans	-66.6	125.2	-172.9	-54.1	0	0	0	0	112.3	G454 C510 P511 P518 Y567 N570	G454-T515 CarbonylContact O-C 3.53Å; G454-T515 VanDerWaalsContact O-CA 3.31Å; G454-T515 WeakPolarHBondContact O-CA 3.47Å; C510-T515 HydrophobicContact CB-CG2 4.45Å; C510-T515 VanDerWaalsContact CB-OG1 3.32Å; C510-T515 WeakPolarHBondContact CB-OG1 3.49Å; P511-T515 WeakPolarHBondContact O-CB 3.15Å; P511-T515 PolarHBondContact O-N 3.07Å; P511-T515 PolarHBondContact O-OG1 2.92Å; T515-P518 HydrophobicContact CG2-CB 4.25Å; T515-Y567 HydrophobicContact CG2-CD1 4.01Å; T515-Y567 HydrophobicContact CG2-CE1 3.78Å; T515-N570 WeakPolarHBondContact O-CB 3.32Å; T515-N570 PolarHBondContact O-ND2 3.2Å
516	T	97.4	Very high	87.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-101.4	-29.6	172.4	53.4	0	0	0	0	112.7	T369 T453 G454 S514 N570 A571 R574	T369-T516 WeakPolarHBondContact CG2-OG1 3.45Å; T453-T516 WeakPolarHBondContact O-CG2 3.39Å; T453-T516 PolarHBondContact O-OG1 2.81Å; T453-T516 VanDerWaalsContact O-OG1 3.05Å; G454-T516 PolarHBondContact O-N 3.42Å; G454-T516 PolarHBondContact O-OG1 2.78Å; S514-T516 PolarHBondContact O-N 2.8Å; T516-N570 HydrophobicContact CG2-CB 3.9Å; T516-A571 HydrophobicContact CG2-CB 4.16Å; T516-R574 HydrophobicContact CG2-CB 4.15Å; T516-R574 HydrophobicContact CG2-CG 3.57Å
517	F	98.3	Very high	88.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-138.3	114.8	173	-157.5	-32.9	0	0	0	107.7	D372 A376 I378 M395 L410 G454 D455 M456 F457 V520	D372-F517 HydrophobicContact CB-CD2 3.76Å; D372-F517 HydrophobicContact CB-CE2 3.83Å; D372-F517 WeakPolarHBondContact O-CE2 3.34Å; A376-F517 HydrophobicContact CB-CD2 4.3Å; A376-F517 HydrophobicContact CB-CE1 4.21Å; A376-F517 HydrophobicContact CB-CE2 3.38Å; A376-F517 HydrophobicContact CB-CZ 3.33Å; I378-F517 HydrophobicContact CD1-CB 4.26Å; I378-F517 HydrophobicContact CD1-CD1 4.01Å; I378-F517 HydrophobicContact CD1-CD2 3.99Å; I378-F517 HydrophobicContact CD1-CE1 4.37Å; I378-F517 HydrophobicContact CD1-CE2 4.38Å; I378-F517 HydrophobicContact CD1-CG 3.8Å; M395-F517 HydrophobicContact CE-CD1 4.5Å; M395-F517 HydrophobicContact CE-CE1 3.87Å; M395-F517 HydrophobicContact CE-CZ 4.28Å; M395-F517 HydrophobicContact SD-CD1 4.44Å; M395-F517 HydrophobicContact SD-CE1 4.28Å; L410-F517 HydrophobicContact CD1-CZ 4.17Å; L410-F517 HydrophobicContact CD2-CZ 4.11Å; G454-F517 PolarHBondContact O-N 2.91Å; D455-F517 HydrophobicContact CB-CB 4.5Å; D455-F517 WeakPolarHBondContact OD1-CB 3.44Å; M456-F517 WeakPolarHBondContact CB-O 3.45Å; M456-F517 PolarHBondContact N-O 2.95Å; F457-F517 HydrophobicContact CB-CB 4.48Å; F457-F517 HydrophobicContact CB-CD1 3.65Å; F457-F517 HydrophobicContact CB-CD2 3.83Å; F457-F517 HydrophobicContact CB-CE1 3.69Å; F457-F517 HydrophobicContact CB-CE2 3.83Å; F457-F517 HydrophobicContact CB-CG 3.74Å; F457-F517 HydrophobicContact CB-CZ 3.76Å; F457-F517 HydrophobicContact CD1-CD2 4.17Å; F457-F517 AromaticContact CD1-CE2 3.63Å; F457-F517 HydrophobicContact CD1-CE2 3.63Å; F457-F517 AromaticContact CD1-CZ 3.94Å; F457-F517 HydrophobicContact CD1-CZ 3.94Å; F457-F517 HydrophobicContact CD2-CE1 4.28Å; F457-F517 HydrophobicContact CD2-CE2 4.49Å; F457-F517 AromaticContact CD2-CZ 3.96Å; F457-F517 HydrophobicContact CD2-CZ 3.96Å; F457-F517 HydrophobicContact CE1-CE2 4.32Å; F457-F517 HydrophobicContact CG-CD1 4.42Å; F457-F517 HydrophobicContact CG-CD2 4.22Å; F457-F517 AromaticContact CG-CE1 4Å; F457-F517 HydrophobicContact CG-CE1 4Å; F457-F517 AromaticContact CG-CE2 3.73Å; F457-F517 HydrophobicContact CG-CE2 3.73Å; F457-F517 AromaticContact CG-CZ 3.61Å; F457-F517 HydrophobicContact CG-CZ 3.61Å; F517-V520 HydrophobicContact CE1-CG1 4.14Å; F517-V520 HydrophobicContact CE1-CG2 3.67Å; F517-V520 HydrophobicContact CZ-CG2 4.32Å
518	P	96.9	Very high	88.6	Confident	6 Å²	6	30.8 Å²	30.8	4%	0.039	18%	0.18	C	C	.	.			trans	-70.8	165.7	177.8	29.3	-34.5	0	0	0	112.7	M395 T515 V520 I560 Y567	M395-P518 HydrophobicContact SD-CG 3.87Å; T515-P518 HydrophobicContact CG2-CB 4.25Å; P518-V520 VanDerWaalsContact C-N 3.35Å; P518-V520 HydrophobicContact CG-CG1 4.08Å; P518-V520 PolarHBondContact O-N 3.4Å; P518-I560 HydrophobicContact CB-CD1 3.75Å; P518-I560 HydrophobicContact CB-CG1 3.84Å; P518-I560 HydrophobicContact CG-CB 4.41Å; P518-I560 HydrophobicContact CG-CD1 3.99Å; P518-I560 HydrophobicContact CG-CG1 3.86Å; P518-I560 HydrophobicContact CG-CG2 3.7Å; P518-Y567 HydrophobicContact CB-CE1 4.08Å; P518-Y567 HydrophobicContact CG-CD1 4.39Å; P518-Y567 HydrophobicContact CG-CD2 4.26Å; P518-Y567 HydrophobicContact CG-CE1 4.04Å; P518-Y567 HydrophobicContact CG-CE2 3.92Å
519	H	96.1	Very high	88	Confident	18 Å²	18	30.7 Å²	30.7	8%	0.083	18%	0.178	C	C	.	.			trans	-75.3	83	179.2	-170.9	51	0	0	0	111.6	M456 L503 N504	M456-H519 HydrophobicContact CB-CB 3.93Å; L503-H519 HydrophobicContact CD2-CB 4.09Å; N504-H519 PolarHBondContact OD1-CE1 3.21Å; N504-H519 PolarHBondContact OD1-NE2 3.08Å
520	V	95.9	Very high	86.9	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.012	19%	0.186	C	C	.	.			trans	-85.4	-14.6	-177.2	-59.8	0	0	0	0	114.2	M395 L398 F457 F517 P518 L523 L524	M395-V520 HydrophobicContact SD-CG1 4.21Å; L398-V520 HydrophobicContact CD1-CB 4.22Å; L398-V520 HydrophobicContact CD1-CG1 3.99Å; L398-V520 HydrophobicContact CD1-CG2 4.34Å; F457-V520 HydrophobicContact CD2-CG2 4.01Å; F517-V520 HydrophobicContact CE1-CG1 4.14Å; F517-V520 HydrophobicContact CE1-CG2 3.67Å; F517-V520 HydrophobicContact CZ-CG2 4.32Å; P518-V520 VanDerWaalsContact C-N 3.35Å; P518-V520 HydrophobicContact CG-CG1 4.08Å; P518-V520 PolarHBondContact O-N 3.4Å; V520-L523 WeakPolarHBondContact O-CA 3.49Å; V520-L523 VanDerWaalsContact O-CB 3.31Å; V520-L523 WeakPolarHBondContact O-CB 3.39Å; V520-L523 PolarHBondContact O-N 3.42Å; V520-L524 HydrophobicContact CB-CG 4.4Å; V520-L524 HydrophobicContact CG2-CD1 3.96Å; V520-L524 HydrophobicContact CG2-CD2 4.3Å; V520-L524 HydrophobicContact CG2-CG 4.03Å; V520-L524 WeakPolarHBondContact O-CG 3.38Å; V520-L524 PolarHBondContact O-N 3.42Å
521	L	94.5	Very high	85.1	Confident	20 Å²	20	36.8 Å²	36.8	11%	0.105	22%	0.221	C	C	.	.	H	α-helix	trans	-53.3	-44.8	-168.8	-177.7	72.6	0	0	0	113.8	L411 F414 L523 L524 T525	L411-L521 HydrophobicContact CD2-CD1 3.96Å; F414-L521 HydrophobicContact CD1-CD1 4.07Å; F414-L521 HydrophobicContact CD2-CD1 4Å; F414-L521 HydrophobicContact CD2-CD2 4.35Å; F414-L521 HydrophobicContact CE1-CD1 4.21Å; F414-L521 HydrophobicContact CE1-CD2 3.95Å; F414-L521 HydrophobicContact CE2-CD1 4.13Å; F414-L521 HydrophobicContact CE2-CD2 3.63Å; F414-L521 HydrophobicContact CE2-CG 4.39Å; F414-L521 HydrophobicContact CG-CD1 3.99Å; F414-L521 HydrophobicContact CZ-CD1 4.25Å; F414-L521 HydrophobicContact CZ-CD2 3.41Å; F414-L521 VanDerWaalsContact CZ-CD2 3.41Å; F414-L521 HydrophobicContact CZ-CG 4.45Å; L521-L523 VanDerWaalsContact C-N 3.29Å; L521-L523 PolarHBondContact O-N 3.4Å; L521-L524 WeakPolarHBondContact O-CB 3Å; L521-L524 PolarHBondContact O-N 3.41Å; L521-L524 VanDerWaalsContact O-N 3.13Å; L521-T525 PolarHBondContact O-N 3.05Å; L521-T525 PolarHBondContact O-OG1 2.91Å
522	P	92.7	Very high	83.3	Confident	4 Å²	4	36.8 Å²	36.8	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-36.4	177.1	-26	38.3	0	0	0	113.2	L526 W540 H553	P522-L526 WeakPolarHBondContact O-CB 3.47Å; P522-L526 PolarHBondContact O-N 2.9Å; P522-W540 HydrophobicContact CB-CH2 4.17Å; P522-W540 HydrophobicContact CB-CZ3 3.89Å; P522-H553 HydrophobicContact CB-CB 4.37Å
523	L	93.9	Very high	81.7	Confident	10 Å²	10	37.8 Å²	37.8	5%	0.052	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-42.4	174	179.2	71.5	0	0	0	111.8	T399 V520 L521 L526 L527 L554 A557	T399-L523 HydrophobicContact CG2-CD2 4.34Å; V520-L523 WeakPolarHBondContact O-CA 3.49Å; V520-L523 VanDerWaalsContact O-CB 3.31Å; V520-L523 WeakPolarHBondContact O-CB 3.39Å; V520-L523 PolarHBondContact O-N 3.42Å; L521-L523 VanDerWaalsContact C-N 3.29Å; L521-L523 PolarHBondContact O-N 3.4Å; L523-L526 PolarHBondContact O-N 3.05Å; L523-L527 HydrophobicContact CD1-CD1 3.7Å; L523-L527 HydrophobicContact CD1-CG 4Å; L523-L527 HydrophobicContact CG-CD1 3.95Å; L523-L527 HydrophobicContact CG-CG 4.44Å; L523-L527 WeakPolarHBondContact O-CB 3.48Å; L523-L527 WeakPolarHBondContact O-CG 3.33Å; L523-L527 PolarHBondContact O-N 2.91Å; L523-L554 HydrophobicContact CD1-CD2 4.12Å; L523-A557 HydrophobicContact CD1-CB 3.66Å; L523-A557 HydrophobicContact CD2-CB 3.56Å; L523-A557 HydrophobicContact CG-CB 4.15Å
524	L	94.9	Very high	79.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-52.2	177.9	-56.5	-174.6	0	0	0	110.3	L398 R407 L410 L411 F457 V520 L521 L526 L527 E528	L398-L524 HydrophobicContact CD1-CD2 4.16Å; L398-L524 HydrophobicContact CD2-CD2 3.9Å; R407-L524 HydrophobicContact CB-CD2 4.03Å; R407-L524 HydrophobicContact CG-CD2 3.77Å; L410-L524 HydrophobicContact CB-CD1 3.57Å; L410-L524 HydrophobicContact CD1-CD1 4.24Å; L410-L524 HydrophobicContact CD1-CD2 4.34Å; L411-L524 HydrophobicContact CD1-CB 4.29Å; L411-L524 HydrophobicContact CD2-CB 3.87Å; L411-L524 HydrophobicContact CD2-CD1 4.32Å; L411-L524 HydrophobicContact CG-CB 4Å; L411-L524 HydrophobicContact CG-CD1 4.31Å; F457-L524 HydrophobicContact CE2-CD1 4.28Å; V520-L524 HydrophobicContact CB-CG 4.4Å; V520-L524 HydrophobicContact CG2-CD1 3.96Å; V520-L524 HydrophobicContact CG2-CD2 4.3Å; V520-L524 HydrophobicContact CG2-CG 4.03Å; V520-L524 WeakPolarHBondContact O-CG 3.38Å; V520-L524 PolarHBondContact O-N 3.42Å; L521-L524 WeakPolarHBondContact O-CB 3Å; L521-L524 PolarHBondContact O-N 3.41Å; L521-L524 VanDerWaalsContact O-N 3.13Å; L524-L526 PolarHBondContact O-N 3.01Å; L524-L527 PolarHBondContact O-N 2.99Å; L524-E528 WeakPolarHBondContact O-CB 3.32Å; L524-E528 PolarHBondContact O-N 3.21Å
525	T	90.6	Very high	77.9	Confident	22 Å²	22	44 Å²	44	14%	0.135	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-37.2	179.5	-54.6	0	0	0	0	112	L521 K529 E538 W540	L521-T525 PolarHBondContact O-N 3.05Å; L521-T525 PolarHBondContact O-OG1 2.91Å; T525-K529 HydrophobicContact CG2-CD 4.21Å; T525-K529 HydrophobicContact CG2-CG 4.3Å; T525-K529 WeakPolarHBondContact O-CB 3.39Å; T525-K529 VanDerWaalsContact O-CG 3.24Å; T525-K529 WeakPolarHBondContact O-CG 3.34Å; T525-K529 PolarHBondContact O-N 2.71Å; T525-E538 HydrophobicContact CG2-CG 4.21Å; T525-W540 HydrophobicContact CG2-CH2 4.21Å; T525-W540 HydrophobicContact CG2-CZ2 3.97Å
526	L	90.5	Very high	75.9	Confident	47 Å²	47	46 Å²	46	25%	0.246	29%	0.291	C	S	.	.	H	α-helix	trans	-66	-42	177.9	178.7	64.8	0	0	0	112.6	P522 L523 L524 V550 L554	P522-L526 WeakPolarHBondContact O-CB 3.47Å; P522-L526 PolarHBondContact O-N 2.9Å; L523-L526 PolarHBondContact O-N 3.05Å; L524-L526 PolarHBondContact O-N 3.01Å; L526-V550 HydrophobicContact CD1-CG1 4.39Å; L526-V550 HydrophobicContact CD1-CG2 4.11Å; L526-V550 HydrophobicContact CD2-CG1 3.96Å; L526-L554 HydrophobicContact CD2-CD1 4.26Å; L526-L554 HydrophobicContact CD2-CD2 3.79Å; L526-L554 HydrophobicContact CD2-CG 3.86Å
527	L	91.8	Very high	73.8	Confident	73 Å²	73	50.8 Å²	50.8	38%	0.382	33%	0.325	S	S	.	.	H	α-helix	trans	-81.9	-30.2	-177	-66.6	180	0	0	0	113.6	L523 L524	L523-L527 HydrophobicContact CD1-CD1 3.7Å; L523-L527 HydrophobicContact CD1-CG 4Å; L523-L527 HydrophobicContact CG-CD1 3.95Å; L523-L527 HydrophobicContact CG-CG 4.44Å; L523-L527 WeakPolarHBondContact O-CB 3.48Å; L523-L527 WeakPolarHBondContact O-CG 3.33Å; L523-L527 PolarHBondContact O-N 2.91Å; L524-L527 PolarHBondContact O-N 2.99Å
528	E	89	Confident	72.1	Confident	29 Å²	29	52.6 Å²	52.6	14%	0.136	33%	0.334	C	S	.	.	S	Bend	trans	-100.1	13.8	-179.8	-61.6	-56.8	141.2	0	0	113.7	Q404 R407 L408 L411 L524 S530	Q404-E528 WeakPolarHBondContact CG-OE2 3.4Å; Q404-E528 PolarHBondContact NE2-OE2 3.41Å; R407-E528 HydrophobicContact CB-CG 3.62Å; R407-E528 IonicContact CZ-OE1 3.04Å; R407-E528 IonicContact NE-OE1 3.17Å; R407-E528 PolarHBondContact NE-OE1 3.27Å; R407-E528 IonicContact NH2-OE1 3.64Å; R407-E528 PolarHBondContact NH2-OE1 3.11Å; L408-E528 HydrophobicContact CD2-CB 4.21Å; L408-E528 HydrophobicContact CD2-CG 4.07Å; L408-E528 HydrophobicContact CG-CG 4.46Å; L411-E528 HydrophobicContact CD1-CB 4Å; L411-E528 HydrophobicContact CD1-CG 4.33Å; L524-E528 WeakPolarHBondContact O-CB 3.32Å; L524-E528 PolarHBondContact O-N 3.21Å; E528-S530 PolarHBondContact O-N 3.2Å
529	K	70.2	Confident	69.9	Low	74 Å²	74	54 Å²	54	32%	0.322	34%	0.342	S	S	.	.			trans	-72.1	71	178.2	-115.9	-179.2	179.5	-172.6	0	113.1	T525 E541	T525-K529 HydrophobicContact CG2-CD 4.21Å; T525-K529 HydrophobicContact CG2-CG 4.3Å; T525-K529 WeakPolarHBondContact O-CB 3.39Å; T525-K529 VanDerWaalsContact O-CG 3.24Å; T525-K529 WeakPolarHBondContact O-CG 3.34Å; T525-K529 PolarHBondContact O-N 2.71Å; K529-E541 VanDerWaalsContact NZ-CD 3.34Å; K529-E541 IonicContact NZ-OE1 3.73Å; K529-E541 PolarHBondContact NZ-OE1 3.15Å; K529-E541 IonicContact NZ-OE2 2.74Å
530	S	50	Low	68.4	Low	92 Å²	92	54.8 Å²	54.8	64%	0.643	35%	0.345	S	S	*	.			trans	-66.6	146	155.5	-173.2	0	0	0	0	109.6	E528 A532	E528-S530 PolarHBondContact O-N 3.2Å; S530-A532 PolarHBondContact O-N 3.45Å
531	S	39.8	Very low	66.8	Low	134 Å²	134	59.4 Å²	59.4	94%	0.937	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	16.5	-167.2	-171.2	0	0	0	0	115.9
532	A	36.9	Very low	65.1	Low	80 Å²	80	62 Å²	62	66%	0.661	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-6.9	-166.7	0	0	0	0	0	115.4	S530	S530-A532 PolarHBondContact O-N 3.45Å
533	V	41.1	Very low	63.2	Low	91 Å²	91	66.9 Å²	66.9	55%	0.552	42%	0.424	S	S	*	.			trans	-127.1	98.5	-178.3	-173.9	0	0	0	0	109.9	V608	V533-V608 HydrophobicContact CG2-CG2 4.09Å
534	A	35.5	Very low	61.4	Low	88 Å²	88	76 Å²	76	73%	0.727	47%	0.466	S	S	*	.			trans	-132.8	81.6	-179.3	0	0	0	0	0	110.7
535	E	45.1	Very low	59.8	Low	132 Å²	132	77.9 Å²	77.9	62%	0.617	48%	0.481	S	S	*	.	S	Bend	trans	-121.1	76.5	169.4	-76.8	-167.8	159.2	0	0	110.5
536	G	52.1	Low	59.1	Low	43 Å²	43	77.1 Å²	77.1	44%	0.443	48%	0.478	S	S	.	.	S	Bend	trans	142.2	133	-177.1	0	0	0	0	0	109.8	E538	G536-E538 PolarHBondContact O-N 2.9Å
537	S	54.3	Low	58.9	Low	101 Å²	101	80.3 Å²	80.3	71%	0.706	50%	0.499	S	S	*	.			trans	-74.5	105.3	164.5	-172.7	0	0	0	0	106.6	E541	S537-E541 WeakPolarHBondContact CA-OE2 3.33Å
538	E	61.3	Low	58.6	Low	39 Å²	39	81.4 Å²	81.4	18%	0.182	50%	0.502	C	S	.	.			trans	-67.8	148.5	179	-71.2	-62.3	167.3	0	0	109.8	T525 G536 W540 E541	T525-E538 HydrophobicContact CG2-CG 4.21Å; G536-E538 PolarHBondContact O-N 2.9Å; E538-W540 HydrophobicContact CB-CD2 4.1Å; E538-W540 HydrophobicContact CB-CE3 4.28Å; E538-W540 HydrophobicContact CB-CH2 4.07Å; E538-W540 HydrophobicContact CB-CZ2 3.91Å; E538-W540 HydrophobicContact CB-CZ3 4.26Å; E538-W540 HydrophobicContact CG-CH2 4.08Å; E538-W540 HydrophobicContact CG-CZ2 3.95Å; E538-W540 PolarHBondContact O-N 3.04Å; E538-E541 HydrophobicContact CB-CG 4.2Å; E538-E541 PolarHBondContact N-OE2 2.88Å; E538-E541 WeakPolarHBondContact O-CB 3.4Å; E538-E541 PolarHBondContact O-N 2.87Å
539	P	52.3	Low	58.6	Low	34 Å²	34	80.3 Å²	80.3	22%	0.221	50%	0.498	C	S	.	.	G	3₁₀ helix	trans	-51.3	-37.2	-174.5	-27.2	32.5	0	0	0	113.8	N504 E541 T542	N504-P539 HydrophobicContact CB-CG 4.16Å; P539-E541 VanDerWaalsContact C-N 3.35Å; P539-E541 PolarHBondContact O-N 3.45Å; P539-T542 PolarHBondContact O-OG1 2.99Å
540	W	63.3	Low	59.5	Low	36 Å²	36	78.3 Å²	78.3	14%	0.136	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-85.2	3.7	-178.4	61.6	89.3	0	0	0	115.7	P522 T525 E538 V549 V550	P522-W540 HydrophobicContact CB-CH2 4.17Å; P522-W540 HydrophobicContact CB-CZ3 3.89Å; T525-W540 HydrophobicContact CG2-CH2 4.21Å; T525-W540 HydrophobicContact CG2-CZ2 3.97Å; E538-W540 HydrophobicContact CB-CD2 4.1Å; E538-W540 HydrophobicContact CB-CE3 4.28Å; E538-W540 HydrophobicContact CB-CH2 4.07Å; E538-W540 HydrophobicContact CB-CZ2 3.91Å; E538-W540 HydrophobicContact CB-CZ3 4.26Å; E538-W540 HydrophobicContact CG-CH2 4.08Å; E538-W540 HydrophobicContact CG-CZ2 3.95Å; E538-W540 PolarHBondContact O-N 3.04Å; W540-V549 HydrophobicContact CB-CB 4.44Å; W540-V549 HydrophobicContact CB-CG1 4.46Å; W540-V549 HydrophobicContact CE3-CG1 4.31Å; W540-V550 HydrophobicContact CB-CG2 3.81Å; W540-V550 HydrophobicContact CD2-CG2 4.48Å; W540-V550 HydrophobicContact CG-CG2 3.78Å
541	E	62	Low	61.4	Low	99 Å²	99	79 Å²	79	46%	0.463	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-82	-5.5	168.2	-66.2	175.8	155.1	0	0	111.9	K529 S537 E538 P539	K529-E541 VanDerWaalsContact NZ-CD 3.34Å; K529-E541 IonicContact NZ-OE1 3.73Å; K529-E541 PolarHBondContact NZ-OE1 3.15Å; K529-E541 IonicContact NZ-OE2 2.74Å; S537-E541 WeakPolarHBondContact CA-OE2 3.33Å; E538-E541 HydrophobicContact CB-CG 4.2Å; E538-E541 PolarHBondContact N-OE2 2.88Å; E538-E541 WeakPolarHBondContact O-CB 3.4Å; E538-E541 PolarHBondContact O-N 2.87Å; P539-E541 VanDerWaalsContact C-N 3.35Å; P539-E541 PolarHBondContact O-N 3.45Å
542	T	59.4	Low	63.9	Low	73 Å²	73	75.6 Å²	75.6	45%	0.448	46%	0.457	S	S	.	.	S	Bend	trans	-83.7	123.1	169.8	64.7	0	0	0	0	111.2	P539 E544 A545 G546	P539-T542 PolarHBondContact O-OG1 2.99Å; T542-E544 VanDerWaalsContact C-N 3.29Å; T542-E544 PolarHBondContact O-N 3.07Å; T542-A545 PolarHBondContact O-N 2.95Å; T542-G546 PolarHBondContact O-N 3.38Å
543	A	52.4	Low	66.4	Low	107 Å²	107	72.5 Å²	72.5	88%	0.884	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.7	-165.3	0	0	0	0	0	115.5
544	E	57.5	Low	68.9	Low	202 Å²	202	71.1 Å²	71.1	94%	0.944	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-25.3	-174.3	-63.2	-178.1	163	0	0	113.6	T542	T542-E544 VanDerWaalsContact C-N 3.29Å; T542-E544 PolarHBondContact O-N 3.07Å
545	A	59.8	Low	71.4	Confident	39 Å²	39	70.8 Å²	70.8	32%	0.322	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-17.1	-175.1	0	0	0	0	0	114.2	T542 V547 E548 V549	T542-A545 PolarHBondContact O-N 2.95Å; A545-V547 VanDerWaalsContact C-N 3.34Å; A545-V547 PolarHBondContact O-N 3.49Å; A545-E548 WeakPolarHBondContact O-CB 3.36Å; A545-E548 PolarHBondContact O-N 3.12Å; A545-E548 VanDerWaalsContact O-N 3.11Å; A545-V549 PolarHBondContact O-N 3.22Å
546	G	76.9	Confident	73.5	Confident	6 Å²	6	66.4 Å²	66.4	6%	0.062	39%	0.393	C	S	.	.	H	α-helix	trans	-61.2	-33.7	-165.8	0	0	0	0	0	116.1	T542 V549 V550	T542-G546 PolarHBondContact O-N 3.38Å; G546-V549 PolarHBondContact O-N 2.9Å; G546-V550 WeakPolarHBondContact O-CB 3.46Å; G546-V550 VanDerWaalsContact O-CG2 3.3Å; G546-V550 WeakPolarHBondContact O-CG2 3.5Å; G546-V550 PolarHBondContact O-N 2.84Å
547	V	85.6	Confident	75.5	Confident	115 Å²	115	64.5 Å²	64.5	70%	0.697	37%	0.374	S	S	*	.	H	α-helix	trans	-68.8	-37.3	178.1	-177.4	0	0	0	0	111.7	A545 M551	A545-V547 VanDerWaalsContact C-N 3.34Å; A545-V547 PolarHBondContact O-N 3.49Å; V547-M551 WeakPolarHBondContact O-CB 3.26Å; V547-M551 WeakPolarHBondContact O-CG 3.39Å; V547-M551 PolarHBondContact O-N 2.89Å
548	E	86.8	Confident	77.2	Confident	96 Å²	96	68.3 Å²	68.3	45%	0.449	37%	0.372	S	S	.	.	H	α-helix	trans	-64	-50.3	175.2	-172.8	-164.4	-155.5	0	0	110.2	R507 A545 V550 M551 L552	R507-E548 IonicContact CZ-OE2 2.75Å; R507-E548 IonicContact NH2-OE1 3.11Å; R507-E548 PolarHBondContact NH2-OE1 2.73Å; R507-E548 IonicContact NH2-OE2 3.27Å; R507-E548 PolarHBondContact NH2-OE2 2.8Å; A545-E548 WeakPolarHBondContact O-CB 3.36Å; A545-E548 PolarHBondContact O-N 3.12Å; A545-E548 VanDerWaalsContact O-N 3.11Å; E548-V550 VanDerWaalsContact C-N 3.34Å; E548-V550 PolarHBondContact O-N 3.46Å; E548-M551 PolarHBondContact O-N 3.25Å; E548-M551 VanDerWaalsContact O-N 3.14Å; E548-L552 HydrophobicContact CG-CD1 4.09Å; E548-L552 HydrophobicContact CG-CG 4.5Å; E548-L552 WeakPolarHBondContact O-CG 3.28Å; E548-L552 PolarHBondContact O-N 3.39Å
549	V	88.5	Confident	78.3	Confident	6 Å²	6	69.2 Å²	69.2	4%	0.036	38%	0.381	C	S	.	.	H	α-helix	trans	-59.1	-43.8	179.5	177.2	0	0	0	0	111.4	W540 A545 G546 L552 H553	W540-V549 HydrophobicContact CB-CB 4.44Å; W540-V549 HydrophobicContact CB-CG1 4.46Å; W540-V549 HydrophobicContact CE3-CG1 4.31Å; A545-V549 PolarHBondContact O-N 3.22Å; G546-V549 PolarHBondContact O-N 2.9Å; V549-L552 PolarHBondContact O-N 3Å; V549-H553 PolarHBondContact O-CD2 3.13Å; V549-H553 PolarHBondContact O-N 3.48Å
550	V	89.5	Confident	80.2	Confident	31 Å²	31	68.4 Å²	68.4	19%	0.188	37%	0.374	C	S	.	.	H	α-helix	trans	-61.1	-45.2	174.6	163.9	0	0	0	0	111.7	L526 W540 G546 E548 H553 L554	L526-V550 HydrophobicContact CD1-CG1 4.39Å; L526-V550 HydrophobicContact CD1-CG2 4.11Å; L526-V550 HydrophobicContact CD2-CG1 3.96Å; W540-V550 HydrophobicContact CB-CG2 3.81Å; W540-V550 HydrophobicContact CD2-CG2 4.48Å; W540-V550 HydrophobicContact CG-CG2 3.78Å; G546-V550 WeakPolarHBondContact O-CB 3.46Å; G546-V550 VanDerWaalsContact O-CG2 3.3Å; G546-V550 WeakPolarHBondContact O-CG2 3.5Å; G546-V550 PolarHBondContact O-N 2.84Å; E548-V550 VanDerWaalsContact C-N 3.34Å; E548-V550 PolarHBondContact O-N 3.46Å; V550-H553 PolarHBondContact O-N 2.68Å; V550-L554 HydrophobicContact CG1-CD1 3.78Å; V550-L554 HydrophobicContact CG1-CG 4.38Å; V550-L554 WeakPolarHBondContact O-CB 3.42Å; V550-L554 WeakPolarHBondContact O-CG 3.34Å; V550-L554 PolarHBondContact O-N 2.76Å
551	M	90.1	Very high	81.5	Confident	107 Å²	107	67.3 Å²	67.3	53%	0.527	37%	0.373	S	S	.	.	H	α-helix	trans	-68.1	-34.3	179.2	-74.2	-59.4	-60.1	0	0	113	V547 E548 T555	V547-M551 WeakPolarHBondContact O-CB 3.26Å; V547-M551 WeakPolarHBondContact O-CG 3.39Å; V547-M551 PolarHBondContact O-N 2.89Å; E548-M551 PolarHBondContact O-N 3.25Å; E548-M551 VanDerWaalsContact O-N 3.14Å; M551-T555 VanDerWaalsContact O-CB 3.27Å; M551-T555 WeakPolarHBondContact O-CB 3.39Å; M551-T555 PolarHBondContact O-N 2.83Å; M551-T555 PolarHBondContact O-OG1 2.83Å
552	L	90.4	Very high	82.6	Confident	62 Å²	62	69.6 Å²	69.6	33%	0.325	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-49.4	172	-72.2	168	0	0	0	110.7	R507 E548 V549 T555 A556	R507-L552 HydrophobicContact CG-CD1 4.47Å; E548-L552 HydrophobicContact CG-CD1 4.09Å; E548-L552 HydrophobicContact CG-CG 4.5Å; E548-L552 WeakPolarHBondContact O-CG 3.28Å; E548-L552 PolarHBondContact O-N 3.39Å; V549-L552 PolarHBondContact O-N 3Å; L552-T555 PolarHBondContact O-N 2.79Å; L552-A556 WeakPolarHBondContact O-CB 3.47Å; L552-A556 PolarHBondContact O-N 2.88Å
553	H	90.9	Very high	83.8	Confident	15 Å²	15	68.4 Å²	68.4	7%	0.069	37%	0.374	C	S	.	.	H	α-helix	trans	-66.9	-39.9	179.5	-73.2	-52.9	0	0	0	113.7	L503 N504 P522 V549 V550 T555 A556 A557	L503-H553 PolarHBondContact O-CE1 3.19Å; L503-H553 VanDerWaalsContact O-CE1 3.28Å; N504-H553 PolarHBondContact O-NE2 3.21Å; P522-H553 HydrophobicContact CB-CB 4.37Å; V549-H553 PolarHBondContact O-CD2 3.13Å; V549-H553 PolarHBondContact O-N 3.48Å; V550-H553 PolarHBondContact O-N 2.68Å; H553-T555 VanDerWaalsContact C-N 3.31Å; H553-T555 PolarHBondContact O-N 2.95Å; H553-A556 PolarHBondContact O-N 2.95Å; H553-A557 VanDerWaalsContact O-CB 3.32Å; H553-A557 WeakPolarHBondContact O-CB 3.43Å; H553-A557 PolarHBondContact O-N 2.82Å
554	L	92.3	Very high	85.4	Confident	63 Å²	63	63.5 Å²	63.5	33%	0.33	33%	0.333	S	S	.	.	H	α-helix	trans	-66.3	-33	173.9	-70.3	173.7	0	0	0	112.3	L523 L526 V550 R558	L523-L554 HydrophobicContact CD1-CD2 4.12Å; L526-L554 HydrophobicContact CD2-CD1 4.26Å; L526-L554 HydrophobicContact CD2-CD2 3.79Å; L526-L554 HydrophobicContact CD2-CG 3.86Å; V550-L554 HydrophobicContact CG1-CD1 3.78Å; V550-L554 HydrophobicContact CG1-CG 4.38Å; V550-L554 WeakPolarHBondContact O-CB 3.42Å; V550-L554 WeakPolarHBondContact O-CG 3.34Å; V550-L554 PolarHBondContact O-N 2.76Å; L554-R558 PolarHBondContact O-N 3.47Å
555	T	89.4	Confident	86.7	Confident	80 Å²	80	63.3 Å²	63.3	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-71.7	-43.9	174.2	-57.6	0	0	0	0	111	M551 L552 H553 A557 R558 T559	M551-T555 VanDerWaalsContact O-CB 3.27Å; M551-T555 WeakPolarHBondContact O-CB 3.39Å; M551-T555 PolarHBondContact O-N 2.83Å; M551-T555 PolarHBondContact O-OG1 2.83Å; L552-T555 PolarHBondContact O-N 2.79Å; H553-T555 VanDerWaalsContact C-N 3.31Å; H553-T555 PolarHBondContact O-N 2.95Å; T555-A557 VanDerWaalsContact C-N 3.32Å; T555-A557 PolarHBondContact O-N 3.36Å; T555-R558 PolarHBondContact O-N 3.4Å; T555-T559 PolarHBondContact O-N 2.83Å; T555-T559 PolarHBondContact O-OG1 3.41Å
556	A	89.5	Confident	88.1	Confident	40 Å²	40	64.3 Å²	64.3	33%	0.331	32%	0.323	S	S	.	.	H	α-helix	trans	-60.2	-40.6	173.9	0	0	0	0	0	111.9	L552 H553 R558 T559 I560	L552-A556 WeakPolarHBondContact O-CB 3.47Å; L552-A556 PolarHBondContact O-N 2.88Å; H553-A556 PolarHBondContact O-N 2.95Å; A556-R558 VanDerWaalsContact C-N 3.34Å; A556-R558 PolarHBondContact O-N 3.37Å; A556-T559 WeakPolarHBondContact O-CB 3.4Å; A556-T559 PolarHBondContact O-N 2.81Å; A556-T559 VanDerWaalsContact O-N 3.15Å; A556-I560 VanDerWaalsContact O-CG1 3.29Å; A556-I560 WeakPolarHBondContact O-CG1 3.4Å; A556-I560 PolarHBondContact O-N 2.9Å
557	A	92.8	Very high	88.9	Confident	4 Å²	4	64.4 Å²	64.4	3%	0.033	32%	0.322	C	S	.	.	H	α-helix	trans	-57.7	-41.7	177.1	0	0	0	0	0	113.2	T399 L523 H553 T555 I560 A561	T399-A557 HydrophobicContact CG2-CB 4.19Å; L523-A557 HydrophobicContact CD1-CB 3.66Å; L523-A557 HydrophobicContact CD2-CB 3.56Å; L523-A557 HydrophobicContact CG-CB 4.15Å; H553-A557 VanDerWaalsContact O-CB 3.32Å; H553-A557 WeakPolarHBondContact O-CB 3.43Å; H553-A557 PolarHBondContact O-N 2.82Å; T555-A557 VanDerWaalsContact C-N 3.32Å; T555-A557 PolarHBondContact O-N 3.36Å; A557-I560 PolarHBondContact O-N 3.16Å; A557-A561 PolarHBondContact O-N 3.44Å
558	R	89.8	Confident	89.3	Confident	181 Å²	181	62.5 Å²	62.5	68%	0.683	31%	0.305	S	S	*	.	H	α-helix	trans	-61.4	-44.8	175.2	-68.7	172.6	62.3	152	0.9	111.5	L554 T555 A556 A561 Q562	L554-R558 PolarHBondContact O-N 3.47Å; T555-R558 PolarHBondContact O-N 3.4Å; A556-R558 VanDerWaalsContact C-N 3.34Å; A556-R558 PolarHBondContact O-N 3.37Å; R558-A561 PolarHBondContact O-N 2.97Å; R558-Q562 WeakPolarHBondContact O-CG 3.27Å; R558-Q562 PolarHBondContact O-N 3.01Å; R558-Q562 VanDerWaalsContact O-N 3.09Å
559	T	85.7	Confident	89.7	Confident	58 Å²	58	61.1 Å²	61.1	36%	0.356	31%	0.306	S	S	.	.	H	α-helix	trans	-63.8	-40.7	175.4	-55	0	0	0	0	111.7	T555 A556 Q562 L563	T555-T559 PolarHBondContact O-N 2.83Å; T555-T559 PolarHBondContact O-OG1 3.41Å; A556-T559 WeakPolarHBondContact O-CB 3.4Å; A556-T559 PolarHBondContact O-N 2.81Å; A556-T559 VanDerWaalsContact O-N 3.15Å; T559-Q562 PolarHBondContact O-N 2.98Å; T559-L563 HydrophobicContact CG2-CD1 3.67Å; T559-L563 HydrophobicContact CG2-CG 4.23Å; T559-L563 WeakPolarHBondContact O-CB 3.33Å; T559-L563 VanDerWaalsContact O-CG 3.32Å; T559-L563 WeakPolarHBondContact O-CG 3.41Å; T559-L563 PolarHBondContact O-N 3.46Å
560	I	90.9	Very high	90	Very high	16 Å²	16	62 Å²	62	8%	0.082	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-44	178.1	-73.9	163	0	0	0	111.4	M395 P518 A556 A557 S564 Y567	M395-I560 HydrophobicContact CB-CG2 4.01Å; M395-I560 HydrophobicContact CG-CG2 4.38Å; M395-I560 HydrophobicContact SD-CG2 4.02Å; P518-I560 HydrophobicContact CB-CD1 3.75Å; P518-I560 HydrophobicContact CB-CG1 3.84Å; P518-I560 HydrophobicContact CG-CB 4.41Å; P518-I560 HydrophobicContact CG-CD1 3.99Å; P518-I560 HydrophobicContact CG-CG1 3.86Å; P518-I560 HydrophobicContact CG-CG2 3.7Å; A556-I560 VanDerWaalsContact O-CG1 3.29Å; A556-I560 WeakPolarHBondContact O-CG1 3.4Å; A556-I560 PolarHBondContact O-N 2.9Å; A557-I560 PolarHBondContact O-N 3.16Å; I560-S564 PolarHBondContact O-N 2.78Å; I560-Y567 HydrophobicContact CB-CE2 4.39Å; I560-Y567 HydrophobicContact CG1-CE2 4.45Å; I560-Y567 HydrophobicContact CG2-CE2 4.15Å
561	A	91	Very high	90.4	Very high	13 Å²	13	60.6 Å²	60.6	11%	0.107	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-49.2	175.6	0	0	0	0	0	111.7	T399 A557 R558 L563 S564	T399-A561 HydrophobicContact CG2-CB 3.97Å; A557-A561 PolarHBondContact O-N 3.44Å; R558-A561 PolarHBondContact O-N 2.97Å; A561-L563 VanDerWaalsContact C-N 3.33Å; A561-L563 PolarHBondContact O-N 3.37Å; A561-S564 WeakPolarHBondContact O-CB 3.42Å; A561-S564 PolarHBondContact O-N 3.02Å; A561-S564 PolarHBondContact O-OG 3.36Å
562	Q	84.8	Confident	90.7	Very high	147 Å²	147	62.1 Å²	62.1	69%	0.687	31%	0.306	S	S	*	.	H	α-helix	trans	-63	-35.4	179.9	-73	176.9	-27.2	0	0	113.4	R558 T559	R558-Q562 WeakPolarHBondContact O-CG 3.27Å; R558-Q562 PolarHBondContact O-N 3.01Å; R558-Q562 VanDerWaalsContact O-N 3.09Å; T559-Q562 PolarHBondContact O-N 2.98Å
563	L	84.4	Confident	90.9	Very high	49 Å²	49	63 Å²	63	26%	0.257	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	14.4	-176.2	-58.6	-174.8	0	0	0	113.9	L512 T559 A561 R565 I566 Y567	L512-L563 HydrophobicContact CD1-CD1 3.57Å; L512-L563 HydrophobicContact CD2-CD1 3.81Å; L512-L563 HydrophobicContact CG-CD1 4.33Å; T559-L563 HydrophobicContact CG2-CD1 3.67Å; T559-L563 HydrophobicContact CG2-CG 4.23Å; T559-L563 WeakPolarHBondContact O-CB 3.33Å; T559-L563 VanDerWaalsContact O-CG 3.32Å; T559-L563 WeakPolarHBondContact O-CG 3.41Å; T559-L563 PolarHBondContact O-N 3.46Å; A561-L563 VanDerWaalsContact C-N 3.33Å; A561-L563 PolarHBondContact O-N 3.37Å; L563-R565 PolarHBondContact O-N 3.23Å; L563-I566 HydrophobicContact CB-CD1 4.16Å; L563-I566 HydrophobicContact CB-CG1 4.45Å; L563-I566 HydrophobicContact CD1-CD1 4.38Å; L563-I566 HydrophobicContact CD2-CD1 4.06Å; L563-I566 HydrophobicContact CG-CD1 4.44Å; L563-I566 WeakPolarHBondContact O-CB 3.47Å; L563-I566 PolarHBondContact O-N 2.91Å; L563-Y567 HydrophobicContact CB-CE2 4.43Å
564	S	86.3	Confident	91.1	Very high	4 Å²	4	66.9 Å²	66.9	3%	0.028	33%	0.331	C	S	.	.	H	α-helix	trans	-45.2	-41	-178.7	62.3	0	0	0	0	114.9	I560 A561 I566 Y567 H568	I560-S564 PolarHBondContact O-N 2.78Å; A561-S564 WeakPolarHBondContact O-CB 3.42Å; A561-S564 PolarHBondContact O-N 3.02Å; A561-S564 PolarHBondContact O-OG 3.36Å; S564-I566 PolarHBondContact O-N 3.29Å; S564-Y567 PolarHBondContact O-N 2.89Å; S564-H568 PolarHBondContact O-N 3.13Å
565	R	86.1	Confident	91.3	Very high	198 Å²	198	64.7 Å²	64.7	75%	0.747	32%	0.319	S	S	*	.	H	α-helix	trans	-63.2	-25.8	178.8	-62.4	179.5	70.3	158.3	0.3	113.5	L563 S569	L563-R565 PolarHBondContact O-N 3.23Å; R565-S569 WeakPolarHBondContact O-CB 3.49Å; R565-S569 PolarHBondContact O-N 3.37Å; R565-S569 PolarHBondContact O-OG 2.95Å
566	I	88.6	Confident	91.5	Very high	60 Å²	60	69.5 Å²	69.5	31%	0.308	33%	0.334	S	S	.	.	H	α-helix	trans	-71.9	-48.5	176.4	-57.5	-174.7	0	0	0	109.7	L512 L563 S564 H568 S569 N570	L512-I566 VanDerWaalsContact O-CG2 3.23Å; L512-I566 WeakPolarHBondContact O-CG2 3.39Å; L563-I566 HydrophobicContact CB-CD1 4.16Å; L563-I566 HydrophobicContact CB-CG1 4.45Å; L563-I566 HydrophobicContact CD1-CD1 4.38Å; L563-I566 HydrophobicContact CD2-CD1 4.06Å; L563-I566 HydrophobicContact CG-CD1 4.44Å; L563-I566 WeakPolarHBondContact O-CB 3.47Å; L563-I566 PolarHBondContact O-N 2.91Å; S564-I566 PolarHBondContact O-N 3.29Å; I566-H568 PolarHBondContact O-N 2.77Å; I566-S569 PolarHBondContact O-N 2.83Å; I566-N570 WeakPolarHBondContact O-CB 3.39Å; I566-N570 VanDerWaalsContact O-CG 3.32Å; I566-N570 PolarHBondContact O-N 3.37Å
567	Y	93.4	Very high	91.7	Very high	7 Å²	7	70.9 Å²	70.9	3%	0.027	35%	0.351	C	S	.	.	H	α-helix	trans	-59.2	-45.1	178.9	-55.1	-56.6	0	0	0	112.1	M395 L512 T515 P518 I560 L563 S564 S569 N570 A571	M395-Y567 HydrophobicContact CG-CD2 4.18Å; L512-Y567 HydrophobicContact CD2-CE1 4.25Å; L512-Y567 WeakPolarHBondContact CD2-OH 3.34Å; T515-Y567 HydrophobicContact CG2-CD1 4.01Å; T515-Y567 HydrophobicContact CG2-CE1 3.78Å; P518-Y567 HydrophobicContact CB-CE1 4.08Å; P518-Y567 HydrophobicContact CG-CD1 4.39Å; P518-Y567 HydrophobicContact CG-CD2 4.26Å; P518-Y567 HydrophobicContact CG-CE1 4.04Å; P518-Y567 HydrophobicContact CG-CE2 3.92Å; I560-Y567 HydrophobicContact CB-CE2 4.39Å; I560-Y567 HydrophobicContact CG1-CE2 4.45Å; I560-Y567 HydrophobicContact CG2-CE2 4.15Å; L563-Y567 HydrophobicContact CB-CE2 4.43Å; S564-Y567 PolarHBondContact O-N 2.89Å; Y567-S569 VanDerWaalsContact C-N 3.34Å; Y567-S569 PolarHBondContact O-N 2.99Å; Y567-N570 PolarHBondContact O-N 3.22Å; Y567-A571 VanDerWaalsContact O-CB 3.31Å; Y567-A571 WeakPolarHBondContact O-CB 3.44Å; Y567-A571 PolarHBondContact O-N 2.85Å
568	H	94.5	Very high	91.8	Very high	75 Å²	75	72.1 Å²	72.1	35%	0.347	36%	0.356	S	S	.	.	H	α-helix	trans	-55	-47.8	171.4	162.5	-82.1	0	0	0	112	I378 S564 I566 A571 K572	I378-H568 HydrophobicContact CG2-CB 4.4Å; I378-H568 WeakPolarHBondContact O-CB 3.27Å; I378-H568 PolarHBondContact O-CD2 2.69Å; I378-H568 VanDerWaalsContact O-CD2 3.22Å; S564-H568 PolarHBondContact O-N 3.13Å; I566-H568 PolarHBondContact O-N 2.77Å; H568-A571 PolarHBondContact O-N 2.99Å; H568-K572 WeakPolarHBondContact O-CB 3.18Å; H568-K572 PolarHBondContact O-N 2.91Å
569	S	94.8	Very high	91.9	Very high	67 Å²	67	71.3 Å²	71.3	47%	0.469	36%	0.36	S	S	.	.	H	α-helix	trans	-67.6	-39.8	-176.2	-58.5	0	0	0	0	111.8	R565 I566 Y567 S573	R565-S569 WeakPolarHBondContact O-CB 3.49Å; R565-S569 PolarHBondContact O-N 3.37Å; R565-S569 PolarHBondContact O-OG 2.95Å; I566-S569 PolarHBondContact O-N 2.83Å; Y567-S569 VanDerWaalsContact C-N 3.34Å; Y567-S569 PolarHBondContact O-N 2.99Å; S569-S573 WeakPolarHBondContact O-CB 3.28Å; S569-S573 PolarHBondContact O-N 2.93Å; S569-S573 VanDerWaalsContact O-N 3.1Å
570	N	94.9	Very high	92.1	Very high	26 Å²	26	71 Å²	71	14%	0.139	36%	0.355	C	S	.	.	H	α-helix	trans	-64.7	-47.9	173.6	-68.6	-10.3	0	0	0	110.6	L512 T515 T516 I566 Y567 K572 S573 R574	L512-N570 PolarHBondContact O-ND2 3.13Å; T515-N570 WeakPolarHBondContact O-CB 3.32Å; T515-N570 PolarHBondContact O-ND2 3.2Å; T516-N570 HydrophobicContact CG2-CB 3.9Å; I566-N570 WeakPolarHBondContact O-CB 3.39Å; I566-N570 VanDerWaalsContact O-CG 3.32Å; I566-N570 PolarHBondContact O-N 3.37Å; Y567-N570 PolarHBondContact O-N 3.22Å; N570-K572 PolarHBondContact O-N 2.85Å; N570-S573 CarbonylContact O-C 3.48Å; N570-S573 WeakPolarHBondContact O-CA 3.43Å; N570-S573 WeakPolarHBondContact O-CB 3.32Å; N570-S573 PolarHBondContact O-N 2.99Å; N570-R574 WeakPolarHBondContact O-CG 3.4Å; N570-R574 PolarHBondContact O-N 3.31Å
571	A	97.1	Very high	92.3	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-61.1	-44.9	-177.9	0	0	0	0	0	111.2	C373 I378 L379 T516 Y567 H568 S573 R574 L575	C373-A571 HydrophobicContact CB-CB 4.42Å; I378-A571 HydrophobicContact CG2-CB 4.24Å; L379-A571 HydrophobicContact CD1-CB 3.9Å; L379-A571 HydrophobicContact CD2-CB 4.03Å; L379-A571 HydrophobicContact CG-CB 3.95Å; T516-A571 HydrophobicContact CG2-CB 4.16Å; Y567-A571 VanDerWaalsContact O-CB 3.31Å; Y567-A571 WeakPolarHBondContact O-CB 3.44Å; Y567-A571 PolarHBondContact O-N 2.85Å; H568-A571 PolarHBondContact O-N 2.99Å; A571-S573 PolarHBondContact O-N 3.43Å; A571-R574 PolarHBondContact O-N 3.34Å; A571-L575 WeakPolarHBondContact O-CB 3.46Å; A571-L575 WeakPolarHBondContact O-CG 3.49Å; A571-L575 PolarHBondContact O-N 3.18Å; A571-L575 VanDerWaalsContact O-N 3.08Å
572	K	96.5	Very high	92.4	Very high	140 Å²	140	78.3 Å²	78.3	61%	0.609	40%	0.399	S	S	*	.	H	α-helix	trans	-61.8	-28.8	173.4	-171.9	171.3	-176.4	172.8	0	113.2	L379 H568 N570 K576	L379-K572 HydrophobicContact CD2-CB 4.26Å; H568-K572 WeakPolarHBondContact O-CB 3.18Å; H568-K572 PolarHBondContact O-N 2.91Å; N570-K572 PolarHBondContact O-N 2.85Å; K572-K576 PolarHBondContact O-N 2.91Å
573	S	95.5	Very high	92.9	Very high	80 Å²	80	75 Å²	75	56%	0.559	38%	0.383	S	S	*	.	H	α-helix	trans	-77.7	-49.3	175.3	-168.4	0	0	0	0	112.2	S569 N570 A571 L575 K576	S569-S573 WeakPolarHBondContact O-CB 3.28Å; S569-S573 PolarHBondContact O-N 2.93Å; S569-S573 VanDerWaalsContact O-N 3.1Å; N570-S573 CarbonylContact O-C 3.48Å; N570-S573 WeakPolarHBondContact O-CA 3.43Å; N570-S573 WeakPolarHBondContact O-CB 3.32Å; N570-S573 PolarHBondContact O-N 2.99Å; A571-S573 PolarHBondContact O-N 3.43Å; S573-L575 VanDerWaalsContact C-N 3.28Å; S573-L575 PolarHBondContact O-N 3.12Å; S573-K576 VanDerWaalsContact O-CB 3.26Å; S573-K576 WeakPolarHBondContact O-CB 3.37Å; S573-K576 PolarHBondContact O-N 3.13Å; S573-K576 VanDerWaalsContact O-N 3.15Å
574	R	94.4	Very high	93.5	Very high	97 Å²	97	72.6 Å²	72.6	37%	0.366	37%	0.371	S	S	.	.	H	α-helix	trans	-64.7	-29.2	-178.7	-62.1	-62.7	175.2	159.9	-15.2	113.4	T452 T516 N570 A571	T452-R574 WeakPolarHBondContact O-CD 3.1Å; T452-R574 PolarHBondContact O-NH1 2.85Å; T516-R574 HydrophobicContact CG2-CB 4.15Å; T516-R574 HydrophobicContact CG2-CG 3.57Å; N570-R574 WeakPolarHBondContact O-CG 3.4Å; N570-R574 PolarHBondContact O-N 3.31Å; A571-R574 PolarHBondContact O-N 3.34Å
575	L	96.4	Very high	93.9	Very high	16 Å²	16	76.7 Å²	76.7	8%	0.084	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	5.7	177.8	-59.8	171.2	0	0	0	113.3	R366 R370 L379 A571 S573 G577 F578	R366-L575 HydrophobicContact CB-CD2 3.89Å; R366-L575 HydrophobicContact CG-CD2 4.14Å; R370-L575 HydrophobicContact CB-CD1 3.75Å; R370-L575 HydrophobicContact CB-CD2 4.43Å; R370-L575 HydrophobicContact CG-CD1 4.11Å; L379-L575 HydrophobicContact CD1-CD1 3.79Å; A571-L575 WeakPolarHBondContact O-CB 3.46Å; A571-L575 WeakPolarHBondContact O-CG 3.49Å; A571-L575 PolarHBondContact O-N 3.18Å; A571-L575 VanDerWaalsContact O-N 3.08Å; S573-L575 VanDerWaalsContact C-N 3.28Å; S573-L575 PolarHBondContact O-N 3.12Å; L575-G577 PolarHBondContact O-N 3.13Å; L575-G577 VanDerWaalsContact O-N 3.17Å; L575-F578 HydrophobicContact CD2-CD1 4.18Å; L575-F578 VanDerWaalsContact O-CB 3.31Å; L575-F578 WeakPolarHBondContact O-CB 3.18Å; L575-F578 PolarHBondContact O-N 2.64Å; L575-F578 VanDerWaalsContact O-N 3.09Å
576	K	94.9	Very high	94.4	Very high	182 Å²	182	68.6 Å²	68.6	79%	0.791	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	118.9	-178.9	-176.4	-179	176.1	-177.1	0	111	K572 S573 F578	K572-K576 PolarHBondContact O-N 2.91Å; S573-K576 VanDerWaalsContact O-CB 3.26Å; S573-K576 WeakPolarHBondContact O-CB 3.37Å; S573-K576 PolarHBondContact O-N 3.13Å; S573-K576 VanDerWaalsContact O-N 3.15Å; K576-F578 VanDerWaalsContact C-N 3.26Å; K576-F578 PolarHBondContact O-N 2.88Å
577	G	92.3	Very high	94.9	Very high	68 Å²	68	65.8 Å²	65.8	70%	0.701	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	11.7	179.6	0	0	0	0	0	114.3	L575 Q579	L575-G577 PolarHBondContact O-N 3.13Å; L575-G577 VanDerWaalsContact O-N 3.17Å; G577-Q579 PolarHBondContact O-N 3.35Å
578	F	94.5	Very high	95.1	Very high	31 Å²	31	66.1 Å²	66.1	14%	0.136	34%	0.343	C	S	.	.			trans	-63.3	128.9	169.8	-175.9	-136.5	0	0	0	109.8	T363 R366 Y367 L575 K576 E580	T363-F578 HydrophobicContact CG2-CE2 4.15Å; T363-F578 HydrophobicContact CG2-CZ 4.45Å; R366-F578 HydrophobicContact CB-CD1 4.08Å; R366-F578 HydrophobicContact CB-CD2 4.16Å; R366-F578 HydrophobicContact CB-CE1 3.69Å; R366-F578 HydrophobicContact CB-CE2 3.79Å; R366-F578 HydrophobicContact CB-CG 4.31Å; R366-F578 HydrophobicContact CB-CZ 3.53Å; R366-F578 HydrophobicContact CG-CD2 4.45Å; R366-F578 HydrophobicContact CG-CE2 4.4Å; Y367-F578 HydrophobicContact CD1-CE1 4.04Å; Y367-F578 HydrophobicContact CD1-CZ 4.04Å; Y367-F578 AromaticContact CD2-CZ 3.86Å; Y367-F578 HydrophobicContact CD2-CZ 3.86Å; Y367-F578 HydrophobicContact CE1-CE1 4.2Å; Y367-F578 HydrophobicContact CE1-CZ 4.02Å; Y367-F578 AromaticContact CE2-CZ 3.81Å; Y367-F578 HydrophobicContact CE2-CZ 3.81Å; Y367-F578 HydrophobicContact CG-CE1 4.24Å; Y367-F578 AromaticContact CG-CZ 3.96Å; Y367-F578 HydrophobicContact CG-CZ 3.96Å; Y367-F578 AromaticContact CZ-CZ 3.89Å; L575-F578 HydrophobicContact CD2-CD1 4.18Å; L575-F578 VanDerWaalsContact O-CB 3.31Å; L575-F578 WeakPolarHBondContact O-CB 3.18Å; L575-F578 PolarHBondContact O-N 2.64Å; L575-F578 VanDerWaalsContact O-N 3.09Å; K576-F578 VanDerWaalsContact C-N 3.26Å; K576-F578 PolarHBondContact O-N 2.88Å; F578-E580 HydrophobicContact CD1-CG 3.72Å; F578-E580 HydrophobicContact CE1-CG 3.51Å; F578-E580 HydrophobicContact CZ-CG 4.16Å
579	Q	92.1	Very high	95.3	Very high	163 Å²	163	64 Å²	64	76%	0.762	33%	0.334	S	S	*	.			trans	-103.7	124.8	177.7	-64.7	-64.6	-21.9	0	0	108.5	G577	G577-Q579 PolarHBondContact O-N 3.35Å
580	E	90.5	Very high	95.4	Very high	53 Å²	53	60.9 Å²	60.9	25%	0.248	31%	0.313	C	S	.	.			trans	-107.8	131.4	-173.7	-74.3	167.7	-122.4	0	0	111.3	Y367 R370 F578 R585	Y367-E580 HydrophobicContact CD1-CG 4.24Å; Y367-E580 HydrophobicContact CE1-CB 3.96Å; Y367-E580 HydrophobicContact CE1-CG 3.65Å; R370-E580 WeakPolarHBondContact CD-OE1 3.48Å; R370-E580 WeakPolarHBondContact CD-OE2 3.44Å; R370-E580 IonicContact CZ-OE1 3.52Å; R370-E580 VanDerWaalsContact CZ-OE1 3.3Å; R370-E580 IonicContact NE-OE1 2.61Å; R370-E580 PolarHBondContact NE-OE1 3.48Å; R370-E580 IonicContact NE-OE2 3.93Å; R370-E580 IonicContact NH1-OE1 3.39Å; R370-E580 PolarHBondContact NH1-OE1 2.94Å; F578-E580 HydrophobicContact CD1-CG 3.72Å; F578-E580 HydrophobicContact CE1-CG 3.51Å; F578-E580 HydrophobicContact CZ-CG 4.16Å; E580-R585 WeakPolarHBondContact OE2-CD 3.4Å; E580-R585 IonicContact OE2-NE 3.99Å; E580-R585 PolarHBondContact OE2-NE 2.98Å; E580-R585 VanDerWaalsContact OE2-NE 3.16Å
581	Q	94.6	Very high	95.6	Very high	109 Å²	109	60.9 Å²	60.9	51%	0.509	31%	0.313	S	S	.	.			trans	-87.9	127.3	167.8	-64.5	174.3	-10.5	0	0	108.1	Y367 E583 V584 R585	Y367-Q581 PolarHBondContact OH-N 3.43Å; Q581-E583 PolarHBondContact O-N 2.79Å; Q581-V584 HydrophobicContact CB-CB 4.21Å; Q581-V584 HydrophobicContact CB-CG2 4.11Å; Q581-V584 PolarHBondContact O-N 3.09Å; Q581-V584 VanDerWaalsContact OE1-CG2 3.29Å; Q581-R585 WeakPolarHBondContact O-CB 3.28Å; Q581-R585 PolarHBondContact O-N 3.41Å
582	A	94.1	Very high	95.6	Very high	73 Å²	73	60.9 Å²	60.9	60%	0.603	31%	0.313	S	S	*	.	H	α-helix	trans	-57.8	-47.8	-174.3	0	0	0	0	0	112.7	V584 R585 E586	A582-V584 PolarHBondContact O-N 3.45Å; A582-R585 WeakPolarHBondContact O-CB 3.46Å; A582-R585 PolarHBondContact O-N 3.06Å; A582-E586 PolarHBondContact O-N 3.39Å; A582-E586 VanDerWaalsContact O-N 3.08Å
583	E	94.8	Very high	95.7	Very high	76 Å²	76	54.4 Å²	54.4	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-57.5	-45.8	178	-67.9	-171	-166	0	0	112.3	L336 R351 L355 Q581 E586	L336-E583 HydrophobicContact CD1-CB 4.14Å; L336-E583 WeakPolarHBondContact CD1-O 3.22Å; L336-E583 HydrophobicContact CD2-CB 4.13Å; L336-E583 HydrophobicContact CD2-CG 3.89Å; L336-E583 HydrophobicContact CG-CB 4.37Å; L336-E583 HydrophobicContact CG-CG 4.36Å; R351-E583 IonicContact CZ-OE2 3.53Å; R351-E583 IonicContact NE-OE2 3.49Å; R351-E583 PolarHBondContact NE-OE2 2.98Å; R351-E583 IonicContact NH2-OE2 2.73Å; R351-E583 PolarHBondContact NH2-OE2 2.91Å; L355-E583 HydrophobicContact CD1-CB 3.9Å; L355-E583 HydrophobicContact CD2-CB 4.23Å; Q581-E583 PolarHBondContact O-N 2.79Å; E583-E586 PolarHBondContact O-N 3.16Å
584	V	96.4	Very high	95.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-41.2	178.8	178.1	0	0	0	0	111.1	L355 V359 Y367 Q581 A582 E586 I587 F588	L355-V584 HydrophobicContact CB-CG2 4.47Å; L355-V584 HydrophobicContact CD2-CG2 4.1Å; V359-V584 HydrophobicContact CG2-CB 4.4Å; V359-V584 HydrophobicContact CG2-CG1 3.56Å; V359-V584 HydrophobicContact CG2-CG2 3.89Å; Y367-V584 HydrophobicContact CD2-CG1 3.74Å; Y367-V584 HydrophobicContact CE1-CB 4.47Å; Y367-V584 HydrophobicContact CE1-CG1 4.2Å; Y367-V584 HydrophobicContact CE2-CB 4.14Å; Y367-V584 HydrophobicContact CE2-CG1 3.29Å; Y367-V584 HydrophobicContact CG-CG1 4.39Å; Q581-V584 HydrophobicContact CB-CB 4.21Å; Q581-V584 HydrophobicContact CB-CG2 4.11Å; Q581-V584 PolarHBondContact O-N 3.09Å; Q581-V584 VanDerWaalsContact OE1-CG2 3.29Å; A582-V584 PolarHBondContact O-N 3.45Å; V584-E586 VanDerWaalsContact C-N 3.31Å; V584-E586 PolarHBondContact O-N 2.9Å; V584-I587 WeakPolarHBondContact O-CB 3.28Å; V584-I587 PolarHBondContact O-N 3.18Å; V584-F588 HydrophobicContact CG1-CE2 3.94Å; V584-F588 VanDerWaalsContact O-CD2 3.27Å; V584-F588 WeakPolarHBondContact O-CD2 3.47Å
585	R	96.4	Very high	96	Very high	90 Å²	90	46.6 Å²	46.6	34%	0.34	24%	0.244	S	C	.	.	H	α-helix	trans	-57.7	-42.2	178.5	-175.2	-176	-178.3	-95.3	0.1	111.9	Y367 E580 Q581 A582 I587 F588	Y367-R585 HydrophobicContact CD1-CB 4.21Å; Y367-R585 HydrophobicContact CE1-CB 3.93Å; E580-R585 WeakPolarHBondContact OE2-CD 3.4Å; E580-R585 IonicContact OE2-NE 3.99Å; E580-R585 PolarHBondContact OE2-NE 2.98Å; E580-R585 VanDerWaalsContact OE2-NE 3.16Å; Q581-R585 WeakPolarHBondContact O-CB 3.28Å; Q581-R585 PolarHBondContact O-N 3.41Å; A582-R585 WeakPolarHBondContact O-CB 3.46Å; A582-R585 PolarHBondContact O-N 3.06Å; R585-I587 PolarHBondContact O-N 3.29Å; R585-F588 PolarHBondContact O-N 2.96Å
586	E	96.2	Very high	96	Very high	27 Å²	27	45.9 Å²	45.9	13%	0.126	24%	0.24	C	C	.	.	H	α-helix	trans	-56.1	-38.1	178.2	-72.7	-162.7	-139.7	0	0	112.5	Y332 S334 A335 A582 E583 V584 F588 L589 F592	Y332-E586 VanDerWaalsContact OH-CD 3.29Å; Y332-E586 VanDerWaalsContact OH-CG 3.31Å; Y332-E586 WeakPolarHBondContact OH-CG 3.47Å; Y332-E586 PolarHBondContact OH-OE2 2.77Å; S334-E586 VanDerWaalsContact CA-OE2 3.3Å; S334-E586 WeakPolarHBondContact CA-OE2 3.29Å; S334-E586 WeakPolarHBondContact CB-OE2 3.3Å; S334-E586 PolarHBondContact OG-OE2 2.9Å; A335-E586 PolarHBondContact N-OE1 3.43Å; A582-E586 PolarHBondContact O-N 3.39Å; A582-E586 VanDerWaalsContact O-N 3.08Å; E583-E586 PolarHBondContact O-N 3.16Å; V584-E586 VanDerWaalsContact C-N 3.31Å; V584-E586 PolarHBondContact O-N 2.9Å; E586-F588 PolarHBondContact O-N 3.2Å; E586-F588 VanDerWaalsContact O-N 3.07Å; E586-L589 WeakPolarHBondContact O-CB 3.28Å; E586-L589 PolarHBondContact O-N 3.41Å; E586-F592 HydrophobicContact CB-CD2 4.32Å; E586-F592 WeakPolarHBondContact O-CB 3.29Å; E586-F592 WeakPolarHBondContact O-CG 3.41Å
587	I	97.8	Very high	96.1	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-59.5	-25.7	-177.6	-56.2	172.2	0	0	0	112.6	L336 V352 L355 L356 V584 R585 F592 Q593	L336-I587 HydrophobicContact CD1-CG1 4.27Å; V352-I587 HydrophobicContact CG1-CD1 4.29Å; V352-I587 HydrophobicContact CG1-CG2 3.87Å; V352-I587 HydrophobicContact CG2-CD1 4.45Å; V352-I587 HydrophobicContact CG2-CG1 4.34Å; L355-I587 HydrophobicContact CB-CD1 3.68Å; L355-I587 HydrophobicContact CD1-CD1 3.91Å; L355-I587 HydrophobicContact CG-CD1 4.45Å; L356-I587 HydrophobicContact CD1-CG2 4.03Å; L356-I587 HydrophobicContact CD2-CD1 4.32Å; L356-I587 HydrophobicContact CD2-CG2 4.12Å; L356-I587 HydrophobicContact CG-CD1 4.22Å; L356-I587 HydrophobicContact CG-CG2 4.21Å; V584-I587 WeakPolarHBondContact O-CB 3.28Å; V584-I587 PolarHBondContact O-N 3.18Å; R585-I587 PolarHBondContact O-N 3.29Å; I587-F592 HydrophobicContact CB-CE1 4.41Å; I587-F592 HydrophobicContact CG1-CE1 4.26Å; I587-Q593 WeakPolarHBondContact O-CG 3.25Å; I587-Q593 PolarHBondContact O-NE2 3.05Å
588	F	98	Very high	96.4	Very high	13 Å²	13	34.9 Å²	34.9	6%	0.057	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-6.4	-179.3	-62.2	-81.8	0	0	0	114	L356 A364 Y367 I368 R413 V584 R585 E586	L356-F588 HydrophobicContact CD2-CE2 4.19Å; L356-F588 HydrophobicContact CD2-CZ 3.86Å; A364-F588 HydrophobicContact CB-CZ 4.08Å; Y367-F588 HydrophobicContact CD1-CD2 4.39Å; Y367-F588 HydrophobicContact CD2-CD2 4.34Å; Y367-F588 AromaticContact CD2-CE2 3.95Å; Y367-F588 HydrophobicContact CD2-CE2 3.95Å; Y367-F588 AromaticContact CG-CD2 3.83Å; Y367-F588 HydrophobicContact CG-CD2 3.83Å; Y367-F588 AromaticContact CG-CE2 3.91Å; Y367-F588 HydrophobicContact CG-CE2 3.91Å; I368-F588 HydrophobicContact CD1-CD1 4.35Å; I368-F588 HydrophobicContact CD1-CE1 4.07Å; I368-F588 HydrophobicContact CG1-CD1 3.49Å; I368-F588 VanDerWaalsContact CG1-CD1 3.49Å; I368-F588 HydrophobicContact CG1-CE1 3.65Å; R413-F588 PolarHBondContact NH1-O 2.82Å; R413-F588 PolarHBondContact NH2-O 2.87Å; V584-F588 HydrophobicContact CG1-CE2 3.94Å; V584-F588 VanDerWaalsContact O-CD2 3.27Å; V584-F588 WeakPolarHBondContact O-CD2 3.47Å; R585-F588 PolarHBondContact O-N 2.96Å; E586-F588 PolarHBondContact O-N 3.2Å; E586-F588 VanDerWaalsContact O-N 3.07Å
589	L	98.3	Very high	96.4	Very high	30 Å²	30	33.5 Å²	33.5	16%	0.157	17%	0.166	C	C	.	.	S	Bend	trans	-76.6	137	176.8	-57.1	-176.9	0	0	0	111.2	Y332 T371 E586 D591 F592 Q593	Y332-L589 HydrophobicContact CE2-CD1 3.93Å; T371-L589 HydrophobicContact CG2-CD2 3.78Å; E586-L589 WeakPolarHBondContact O-CB 3.28Å; E586-L589 PolarHBondContact O-N 3.41Å; L589-D591 PolarHBondContact O-N 2.78Å; L589-F592 HydrophobicContact CB-CB 4.39Å; L589-F592 PolarHBondContact O-N 2.9Å; L589-Q593 WeakPolarHBondContact O-CG 3.35Å; L589-Q593 PolarHBondContact O-N 2.74Å; L589-Q593 VanDerWaalsContact O-N 3.15Å
590	T	98.4	Very high	96.6	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-60.2	-44.4	-177.5	-41	0	0	0	0	111.5	F327 R413 T416 F592 Q593 M594	F327-T590 HydrophobicContact CD1-CG2 4.23Å; F327-T590 HydrophobicContact CD2-CG2 3.95Å; F327-T590 VanDerWaalsContact CE1-CB 3.47Å; F327-T590 HydrophobicContact CE1-CG2 4.1Å; F327-T590 WeakPolarHBondContact CE1-OG1 3.31Å; F327-T590 HydrophobicContact CE2-CG2 3.79Å; F327-T590 HydrophobicContact CG-CG2 4.18Å; F327-T590 HydrophobicContact CZ-CG2 3.89Å; F327-T590 VanDerWaalsContact CZ-OG1 3.28Å; F327-T590 WeakPolarHBondContact CZ-OG1 3.5Å; R413-T590 HydrophobicContact CB-CG2 4.22Å; R413-T590 WeakPolarHBondContact CD-OG1 3.48Å; R413-T590 PolarHBondContact NH1-OG1 3.39Å; T416-T590 HydrophobicContact CG2-CG2 4.13Å; T590-F592 PolarHBondContact O-N 3.23Å; T590-Q593 PolarHBondContact O-N 3.29Å; T590-Q593 VanDerWaalsContact O-N 3.17Å; T590-M594 HydrophobicContact CG2-CG 4.18Å; T590-M594 HydrophobicContact CG2-SD 4.14Å; T590-M594 VanDerWaalsContact O-CG 3.27Å; T590-M594 WeakPolarHBondContact O-CG 3.03Å; T590-M594 PolarHBondContact O-N 3.45Å
591	D	97.9	Very high	96.6	Very high	26 Å²	26	34.9 Å²	34.9	14%	0.139	17%	0.166	C	C	.	.	H	α-helix	trans	-58.6	-43.9	179.3	-64.9	-89.8	0	0	0	113.6	R328 Y332 L589 Q593 M594 R595	R328-D591 VanDerWaalsContact C-OD1 3.23Å; R328-D591 PolarHBondContact N-OD1 3.22Å; Y332-D591 HydrophobicContact CD1-CB 4.13Å; Y332-D591 HydrophobicContact CD2-CB 3.48Å; Y332-D591 VanDerWaalsContact CD2-CB 3.48Å; Y332-D591 HydrophobicContact CE2-CB 4.17Å; Y332-D591 HydrophobicContact CG-CB 3.46Å; Y332-D591 VanDerWaalsContact CG-CB 3.46Å; L589-D591 PolarHBondContact O-N 2.78Å; D591-Q593 VanDerWaalsContact C-N 3.35Å; D591-M594 PolarHBondContact O-N 3Å; D591-R595 WeakPolarHBondContact O-CG 3.3Å; D591-R595 PolarHBondContact O-N 2.92Å
592	F	98.3	Very high	96.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.9	-46.2	175.8	177.4	-91.1	0	0	0	110.8	Y332 L336 M337 I348 V352 E586 I587 L589 T590 R595 L596	Y332-F592 HydrophobicContact CE1-CB 3.83Å; Y332-F592 HydrophobicContact CE1-CD2 4.16Å; L336-F592 HydrophobicContact CB-CE2 3.96Å; L336-F592 HydrophobicContact CB-CZ 4.44Å; L336-F592 HydrophobicContact CD1-CE2 4.37Å; L336-F592 HydrophobicContact CD1-CZ 4.39Å; M337-F592 HydrophobicContact CB-CE2 4.27Å; M337-F592 HydrophobicContact CE-CD2 4.01Å; M337-F592 HydrophobicContact CE-CE2 3.78Å; M337-F592 HydrophobicContact CE-CZ 4.16Å; I348-F592 HydrophobicContact CG2-CZ 4.31Å; V352-F592 HydrophobicContact CG2-CE1 3.92Å; V352-F592 HydrophobicContact CG2-CZ 3.72Å; E586-F592 HydrophobicContact CB-CD2 4.32Å; E586-F592 WeakPolarHBondContact O-CB 3.29Å; E586-F592 WeakPolarHBondContact O-CG 3.41Å; I587-F592 HydrophobicContact CB-CE1 4.41Å; I587-F592 HydrophobicContact CG1-CE1 4.26Å; L589-F592 HydrophobicContact CB-CB 4.39Å; L589-F592 PolarHBondContact O-N 2.9Å; T590-F592 PolarHBondContact O-N 3.23Å; F592-R595 PolarHBondContact O-N 2.84Å; F592-L596 HydrophobicContact CE1-CD2 3.8Å; F592-L596 HydrophobicContact CZ-CD2 4.31Å; F592-L596 VanDerWaalsContact O-CB 3.31Å; F592-L596 WeakPolarHBondContact O-CB 3.46Å; F592-L596 PolarHBondContact O-N 3.33Å
593	Q	98.3	Very high	96.6	Very high	5 Å²	5	27.3 Å²	27.3	2%	0.023	12%	0.124	C	C	.	.	H	α-helix	trans	-64.5	-44.8	178.4	-64.6	176	-2.2	0	0	111.4	T416 M420 I587 L589 T590 D591 R595 L596 L597	T416-Q593 HydrophobicContact CG2-CB 3.41Å; T416-Q593 VanDerWaalsContact CG2-CB 3.41Å; M420-Q593 HydrophobicContact CB-CG 4.27Å; M420-Q593 HydrophobicContact CG-CG 3.97Å; I587-Q593 WeakPolarHBondContact O-CG 3.25Å; I587-Q593 PolarHBondContact O-NE2 3.05Å; L589-Q593 WeakPolarHBondContact O-CG 3.35Å; L589-Q593 PolarHBondContact O-N 2.74Å; L589-Q593 VanDerWaalsContact O-N 3.15Å; T590-Q593 PolarHBondContact O-N 3.29Å; T590-Q593 VanDerWaalsContact O-N 3.17Å; D591-Q593 VanDerWaalsContact C-N 3.35Å; Q593-R595 PolarHBondContact O-N 2.95Å; Q593-L596 PolarHBondContact O-N 3.31Å; Q593-L597 WeakPolarHBondContact O-CB 3.16Å; Q593-L597 WeakPolarHBondContact O-CG 3.45Å; Q593-L597 PolarHBondContact O-N 3.48Å
594	M	98	Very high	96.4	Very high	10 Å²	10	29.8 Å²	29.8	5%	0.049	14%	0.136	C	C	.	.	H	α-helix	trans	-57.3	-47.1	175.8	-70	176.9	84.3	0	0	111.5	F327 P329 E412 T416 T590 D591 W598 A603	F327-M594 HydrophobicContact CB-SD 4.11Å; F327-M594 HydrophobicContact CG-SD 4.5Å; P329-M594 HydrophobicContact CB-CB 4.23Å; P329-M594 HydrophobicContact CG-CB 4.45Å; P329-M594 HydrophobicContact CG-CE 4.06Å; P329-M594 HydrophobicContact CG-SD 4.17Å; E412-M594 HydrophobicContact CG-CE 4.28Å; E412-M594 HydrophobicContact CG-SD 4.37Å; T416-M594 HydrophobicContact CG2-CG 4.14Å; T590-M594 HydrophobicContact CG2-CG 4.18Å; T590-M594 HydrophobicContact CG2-SD 4.14Å; T590-M594 VanDerWaalsContact O-CG 3.27Å; T590-M594 WeakPolarHBondContact O-CG 3.03Å; T590-M594 PolarHBondContact O-N 3.45Å; D591-M594 PolarHBondContact O-N 3Å; M594-W598 HydrophobicContact CB-CE3 4.11Å; M594-W598 HydrophobicContact CB-CZ3 4.17Å; M594-W598 HydrophobicContact CG-CE3 4.38Å; M594-W598 HydrophobicContact CG-CZ3 3.98Å; M594-W598 PolarHBondContact O-N 3.45Å; M594-A603 HydrophobicContact CB-CB 4.21Å; M594-A603 WeakPolarHBondContact CE-O 3.22Å
595	R	97.8	Very high	96.2	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.011	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-38	176.1	-70.1	-174.5	67.3	127.9	12.6	113	P329 Y332 M337 P338 Q339 N341 D591 F592 Q593 G599	P329-R595 HydrophobicContact CB-CG 3.79Å; P329-R595 VanDerWaalsContact O-CD 3.31Å; P329-R595 WeakPolarHBondContact O-CD 3.45Å; Y332-R595 PolarHBondContact O-NH1 3.05Å; M337-R595 HydrophobicContact CE-CB 4.02Å; M337-R595 HydrophobicContact SD-CB 3.35Å; M337-R595 WeakPolarHBondContact SD-CB 3.36Å; M337-R595 HydrophobicContact SD-CG 4.23Å; M337-R595 PolarHBondContact SD-NE 2.81Å; P338-R595 PolarHBondContact O-NH2 3.37Å; P338-R595 VanDerWaalsContact O-NH2 3.08Å; Q339-R595 PolarHBondContact O-NH2 3.1Å; N341-R595 PolarHBondContact ND2-O 3.41Å; N341-R595 PolarHBondContact OD1-NE 2.99Å; N341-R595 VanDerWaalsContact OD1-NE 3.11Å; N341-R595 PolarHBondContact OD1-NH2 3.14Å; D591-R595 WeakPolarHBondContact O-CG 3.3Å; D591-R595 PolarHBondContact O-N 2.92Å; F592-R595 PolarHBondContact O-N 2.84Å; Q593-R595 PolarHBondContact O-N 2.95Å; R595-G599 WeakPolarHBondContact O-CA 3.46Å; R595-G599 PolarHBondContact O-N 2.86Å
596	L	97.2	Very high	95.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.8	-40.6	179.9	-178.4	54.9	0	0	0	111.6	M337 L344 I348 L349 V352 M420 F592 Q593	M337-L596 HydrophobicContact CE-CB 3.72Å; M337-L596 HydrophobicContact CE-CD1 4.27Å; L344-L596 PolarHBondContact N-O 3.24Å; I348-L596 HydrophobicContact CB-CD1 4.03Å; I348-L596 HydrophobicContact CG2-CD1 3.8Å; L349-L596 HydrophobicContact CD2-CD1 3.94Å; L349-L596 HydrophobicContact CD2-CD2 4.19Å; L349-L596 HydrophobicContact CD2-CG 4.15Å; L349-L596 HydrophobicContact CG-CD1 4.24Å; V352-L596 HydrophobicContact CG2-CD2 4.11Å; M420-L596 HydrophobicContact CE-CD2 3.62Å; M420-L596 HydrophobicContact SD-CD2 3.86Å; F592-L596 HydrophobicContact CE1-CD2 3.8Å; F592-L596 HydrophobicContact CZ-CD2 4.31Å; F592-L596 VanDerWaalsContact O-CB 3.31Å; F592-L596 WeakPolarHBondContact O-CB 3.46Å; F592-L596 PolarHBondContact O-N 3.33Å; Q593-L596 PolarHBondContact O-N 3.31Å
597	L	97.1	Very high	95.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-72.4	-54.4	178.9	-64	172.8	0	0	0	111.2	P343 L344 T416 T419 M420 V423 Q593 F614	P343-L597 WeakPolarHBondContact CB-O 3.45Å; L344-L597 HydrophobicContact CD2-CD2 4.32Å; T416-L597 HydrophobicContact CG2-CD1 4.15Å; T419-L597 HydrophobicContact CG2-CD1 3.78Å; T419-L597 HydrophobicContact CG2-CD2 4.09Å; M420-L597 HydrophobicContact SD-CD2 4.46Å; V423-L597 HydrophobicContact CB-CD2 4.16Å; V423-L597 HydrophobicContact CG1-CD2 4.4Å; V423-L597 HydrophobicContact CG2-CD2 3.65Å; Q593-L597 WeakPolarHBondContact O-CB 3.16Å; Q593-L597 WeakPolarHBondContact O-CG 3.45Å; Q593-L597 PolarHBondContact O-N 3.48Å; L597-F614 HydrophobicContact CB-CE1 4.46Å; L597-F614 HydrophobicContact CB-CE2 4.3Å; L597-F614 HydrophobicContact CB-CZ 3.98Å; L597-F614 HydrophobicContact CD2-CE1 3.75Å; L597-F614 HydrophobicContact CD2-CZ 3.68Å; L597-F614 HydrophobicContact CG-CZ 4.42Å; L597-F614 VanDerWaalsContact O-CE2 3.22Å; L597-F614 WeakPolarHBondContact O-CE2 3.37Å
598	W	97.1	Very high	95	Very high	19 Å²	19	39.8 Å²	39.8	7%	0.072	19%	0.194	C	C	.	.	H	α-helix	trans	-106.9	0	-168.8	-59.6	-72.6	0	0	0	115.5	T416 M594 G602 A603 R610 Y611 F614	T416-W598 HydrophobicContact CG2-CZ3 4.4Å; M594-W598 HydrophobicContact CB-CE3 4.11Å; M594-W598 HydrophobicContact CB-CZ3 4.17Å; M594-W598 HydrophobicContact CG-CE3 4.38Å; M594-W598 HydrophobicContact CG-CZ3 3.98Å; M594-W598 PolarHBondContact O-N 3.45Å; W598-G602 CarbonylContact O-C 3.59Å; W598-G602 WeakPolarHBondContact O-CA 3.31Å; W598-G602 PolarHBondContact O-N 2.88Å; W598-A603 HydrophobicContact CB-CB 4.47Å; W598-R610 HydrophobicContact CD2-CB 4.23Å; W598-R610 HydrophobicContact CD2-CG 4.15Å; W598-R610 HydrophobicContact CG-CB 4.42Å; W598-R610 HydrophobicContact CG-CG 4.05Å; W598-R610 HydrophobicContact CZ2-CB 4.29Å; W598-R610 PolarHBondContact NE1-O 2.74Å; W598-Y611 HydrophobicContact CH2-CD1 4.28Å; W598-Y611 AromaticContact CH2-CE1 3.45Å; W598-Y611 HydrophobicContact CH2-CE1 3.45Å; W598-Y611 VanDerWaalsContact CH2-CE1 3.45Å; W598-Y611 HydrophobicContact CH2-CE2 4.46Å; W598-Y611 AromaticContact CH2-CZ 3.54Å; W598-Y611 WeakPolarHBondContact CH2-OH 3.35Å; W598-Y611 AromaticContact CZ2-CD1 3.81Å; W598-Y611 HydrophobicContact CZ2-CD1 3.81Å; W598-Y611 AromaticContact CZ2-CE1 3.44Å; W598-Y611 HydrophobicContact CZ2-CE1 3.44Å; W598-Y611 VanDerWaalsContact CZ2-CE1 3.44Å; W598-Y611 AromaticContact CZ2-CZ 3.89Å; W598-F614 AromaticContact CD1-CD2 3.78Å; W598-F614 AromaticContact NE1-CD2 3.52Å; W598-F614 AromaticContact NE1-CG 3.67Å
599	G	96.1	Very high	94.6	Very high	2 Å²	2	43.3 Å²	43.3	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	74.4	168.7	-179	0	0	0	0	0	113.7	R595 R601 G602 A603	R595-G599 WeakPolarHBondContact O-CA 3.46Å; R595-G599 PolarHBondContact O-N 2.86Å; G599-R601 VanDerWaalsContact C-N 3.28Å; G599-R601 PolarHBondContact O-N 2.84Å; G599-G602 PolarHBondContact O-N 2.96Å; G599-A603 VanDerWaalsContact O-CB 3.3Å; G599-A603 WeakPolarHBondContact O-CB 3.5Å; G599-A603 PolarHBondContact O-N 3.32Å
600	S	94.6	Very high	94.3	Very high	25 Å²	25	42.6 Å²	42.6	18%	0.175	21%	0.208	C	C	.	.	H	α-helix	trans	-55.1	-40	-176.9	61.8	0	0	0	0	113.7	N341	N341-S600 PolarHBondContact O-N 3.36Å; N341-S600 PolarHBondContact O-OG 2.9Å
601	R	91.4	Very high	94	Very high	221 Å²	221	43.8 Å²	43.8	83%	0.834	21%	0.213	S	C	*	.	H	α-helix	trans	-85.8	-36.1	179.4	-70.7	-176.1	-74.9	173.6	-5.4	113.8	G599	G599-R601 VanDerWaalsContact C-N 3.28Å; G599-R601 PolarHBondContact O-N 2.84Å
602	G	93.4	Very high	93.5	Very high	21 Å²	21	45.3 Å²	45.3	22%	0.216	23%	0.225	C	C	.	.	H	α-helix	trans	-82.2	-15.9	-175.3	0	0	0	0	0	113.8	W598 G599 E604 E605 R610	W598-G602 CarbonylContact O-C 3.59Å; W598-G602 WeakPolarHBondContact O-CA 3.31Å; W598-G602 PolarHBondContact O-N 2.88Å; G599-G602 PolarHBondContact O-N 2.96Å; G602-E604 VanDerWaalsContact C-N 3.32Å; G602-E604 PolarHBondContact O-N 2.92Å; G602-E605 WeakPolarHBondContact O-CB 3.43Å; G602-E605 PolarHBondContact O-N 3.1Å; G602-R610 VanDerWaalsContact O-CD 3.27Å; G602-R610 WeakPolarHBondContact O-CD 3.28Å; G602-R610 WeakPolarHBondContact O-CG 3.42Å
603	A	94.8	Very high	93.1	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.008	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-23.2	179.7	0	0	0	0	0	114.2	P329 M594 W598 G599	P329-A603 HydrophobicContact CB-CB 3.69Å; P329-A603 HydrophobicContact CG-CB 3.77Å; M594-A603 HydrophobicContact CB-CB 4.21Å; M594-A603 WeakPolarHBondContact CE-O 3.22Å; W598-A603 HydrophobicContact CB-CB 4.47Å; G599-A603 VanDerWaalsContact O-CB 3.3Å; G599-A603 WeakPolarHBondContact O-CB 3.5Å; G599-A603 PolarHBondContact O-N 3.32Å
604	E	91.8	Very high	92.7	Very high	128 Å²	128	51.4 Å²	51.4	60%	0.598	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	0.9	177	-61	-166.1	151.7	0	0	113.3	P329 G330 G602	P329-E604 HydrophobicContact CG-CG 4.03Å; G330-E604 VanDerWaalsContact CA-OE1 3.24Å; G330-E604 WeakPolarHBondContact CA-OE1 3.42Å; G330-E604 PolarHBondContact N-OE1 3.11Å; G602-E604 VanDerWaalsContact C-N 3.32Å; G602-E604 PolarHBondContact O-N 2.92Å
605	E	91.8	Very high	92.4	Very high	100 Å²	100	53.6 Å²	53.6	47%	0.467	26%	0.264	S	S	.	.	S	Bend	trans	-68.7	159.3	175.5	-74.7	-78.5	-171.7	0	0	112.9	G602 Q607 R610	G602-E605 WeakPolarHBondContact O-CB 3.43Å; G602-E605 PolarHBondContact O-N 3.1Å; E605-Q607 PolarHBondContact O-N 3.19Å; E605-R610 HydrophobicContact CB-CG 3.88Å; E605-R610 PolarHBondContact O-NE 2.86Å
606	N	89.4	Confident	92.2	Very high	92 Å²	92	59.4 Å²	59.4	49%	0.492	29%	0.291	S	S	.	.			trans	-53.2	133.6	177.9	178.4	-80.7	0	0	0	111.8	V608 L609 R610	N606-V608 VanDerWaalsContact C-N 3.35Å; N606-V608 PolarHBondContact O-N 3.49Å; N606-V608 PolarHBondContact OD1-N 3.46Å; N606-L609 HydrophobicContact CB-CB 4.38Å; N606-L609 HydrophobicContact CB-CD1 4.2Å; N606-L609 HydrophobicContact CB-CG 4.25Å; N606-L609 PolarHBondContact O-N 3.28Å; N606-L609 VanDerWaalsContact O-N 3.08Å; N606-R610 PolarHBondContact O-N 3.03Å
607	Q	88.7	Confident	92.1	Very high	66 Å²	66	62 Å²	62	31%	0.308	31%	0.307	S	S	.	.	H	α-helix	trans	-52	-46.5	-174.9	-171.2	-177.7	70.8	0	0	113.5	E412 E605 L609 R610 Y611	E412-Q607 WeakPolarHBondContact OE2-CG 3.48Å; E412-Q607 PolarHBondContact OE2-NE2 2.94Å; E605-Q607 PolarHBondContact O-N 3.19Å; Q607-L609 PolarHBondContact O-N 3.13Å; Q607-R610 WeakPolarHBondContact O-CB 3.46Å; Q607-R610 PolarHBondContact O-N 3.44Å; Q607-Y611 HydrophobicContact CG-CD2 3.78Å; Q607-Y611 HydrophobicContact CG-CE2 3.63Å; Q607-Y611 WeakPolarHBondContact O-CD2 3.45Å; Q607-Y611 PolarHBondContact O-N 3.21Å
608	V	86.8	Confident	92	Very high	71 Å²	71	62.3 Å²	62.3	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-66.2	-40.8	-179	-175.9	0	0	0	0	110.7	V533 N606 S612	V533-V608 HydrophobicContact CG2-CG2 4.09Å; N606-V608 VanDerWaalsContact C-N 3.35Å; N606-V608 PolarHBondContact O-N 3.49Å; N606-V608 PolarHBondContact OD1-N 3.46Å; V608-S612 WeakPolarHBondContact O-CB 3.5Å; V608-S612 PolarHBondContact O-N 2.88Å
609	L	88.9	Confident	92	Very high	87 Å²	87	63.7 Å²	63.7	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-68.2	-35.2	175.7	-63	-178.1	0	0	0	112.4	N606 Q607 K613	N606-L609 HydrophobicContact CB-CB 4.38Å; N606-L609 HydrophobicContact CB-CD1 4.2Å; N606-L609 HydrophobicContact CB-CG 4.25Å; N606-L609 PolarHBondContact O-N 3.28Å; N606-L609 VanDerWaalsContact O-N 3.08Å; Q607-L609 PolarHBondContact O-N 3.13Å; L609-K613 WeakPolarHBondContact O-CB 3.08Å; L609-K613 WeakPolarHBondContact O-CD 3.26Å; L609-K613 VanDerWaalsContact O-CG 3.25Å; L609-K613 WeakPolarHBondContact O-CG 3.45Å; L609-K613 PolarHBondContact O-N 3.26Å
610	R	93.1	Very high	92	Very high	16 Å²	16	66.5 Å²	66.5	6%	0.06	34%	0.342	C	S	.	.	H	α-helix	trans	-61.7	-55	173.6	-83.5	-168.3	-72.3	114.4	-3.9	111	E412 W598 G602 E605 N606 Q607 F614	E412-R610 IonicContact OE1-CZ 3.95Å; E412-R610 IonicContact OE1-NH1 2.74Å; E412-R610 PolarHBondContact OE1-NH1 3.19Å; E412-R610 IonicContact OE1-NH2 2.98Å; E412-R610 IonicContact OE2-CZ 3.54Å; E412-R610 IonicContact OE2-NH1 3.47Å; E412-R610 PolarHBondContact OE2-NH1 2.77Å; E412-R610 IonicContact OE2-NH2 2.71Å; E412-R610 PolarHBondContact OE2-NH2 3.33Å; W598-R610 HydrophobicContact CD2-CB 4.23Å; W598-R610 HydrophobicContact CD2-CG 4.15Å; W598-R610 HydrophobicContact CG-CB 4.42Å; W598-R610 HydrophobicContact CG-CG 4.05Å; W598-R610 HydrophobicContact CZ2-CB 4.29Å; W598-R610 PolarHBondContact NE1-O 2.74Å; G602-R610 VanDerWaalsContact O-CD 3.27Å; G602-R610 WeakPolarHBondContact O-CD 3.28Å; G602-R610 WeakPolarHBondContact O-CG 3.42Å; E605-R610 HydrophobicContact CB-CG 3.88Å; E605-R610 PolarHBondContact O-NE 2.86Å; N606-R610 PolarHBondContact O-N 3.03Å; Q607-R610 WeakPolarHBondContact O-CB 3.46Å; Q607-R610 PolarHBondContact O-N 3.44Å; R610-F614 VanDerWaalsContact O-CB 3.26Å; R610-F614 WeakPolarHBondContact O-CB 3.43Å; R610-F614 PolarHBondContact O-N 3.37Å; R610-F614 VanDerWaalsContact O-N 3.12Å
611	Y	91.1	Very high	92.1	Very high	26 Å²	26	67.3 Å²	67.3	10%	0.102	34%	0.344	C	S	.	.	H	α-helix	trans	-69.9	-44.1	-176.9	-70.8	-66.5	0	0	0	113	E412 Q415 T416 W598 Q607 K613 F614 D615	E412-Y611 WeakPolarHBondContact OE1-CE2 3.43Å; E412-Y611 PolarHBondContact OE1-OH 2.85Å; Q415-Y611 HydrophobicContact CB-CE1 4.09Å; Q415-Y611 HydrophobicContact CB-CE2 4.31Å; Q415-Y611 HydrophobicContact CG-CD1 3.75Å; Q415-Y611 HydrophobicContact CG-CD2 4.3Å; Q415-Y611 HydrophobicContact CG-CE1 3.33Å; Q415-Y611 HydrophobicContact CG-CE2 3.95Å; Q415-Y611 HydrophobicContact CG-CG 4.24Å; Q415-Y611 VanDerWaalsContact CG-CZ 3.46Å; T416-Y611 PolarHBondContact N-OH 2.97Å; T416-Y611 VanDerWaalsContact N-OH 3.15Å; T416-Y611 PolarHBondContact OG1-OH 2.76Å; W598-Y611 HydrophobicContact CH2-CD1 4.28Å; W598-Y611 AromaticContact CH2-CE1 3.45Å; W598-Y611 HydrophobicContact CH2-CE1 3.45Å; W598-Y611 VanDerWaalsContact CH2-CE1 3.45Å; W598-Y611 HydrophobicContact CH2-CE2 4.46Å; W598-Y611 AromaticContact CH2-CZ 3.54Å; W598-Y611 WeakPolarHBondContact CH2-OH 3.35Å; W598-Y611 AromaticContact CZ2-CD1 3.81Å; W598-Y611 HydrophobicContact CZ2-CD1 3.81Å; W598-Y611 AromaticContact CZ2-CE1 3.44Å; W598-Y611 HydrophobicContact CZ2-CE1 3.44Å; W598-Y611 VanDerWaalsContact CZ2-CE1 3.44Å; W598-Y611 AromaticContact CZ2-CZ 3.89Å; Q607-Y611 HydrophobicContact CG-CD2 3.78Å; Q607-Y611 HydrophobicContact CG-CE2 3.63Å; Q607-Y611 WeakPolarHBondContact O-CD2 3.45Å; Q607-Y611 PolarHBondContact O-N 3.21Å; Y611-K613 VanDerWaalsContact C-N 3.34Å; Y611-K613 PolarHBondContact O-N 3.4Å; Y611-F614 CarbonylContact O-C 3.59Å; Y611-F614 PolarHBondContact O-N 3.45Å; Y611-D615 PolarHBondContact O-N 2.9Å
612	S	88.4	Confident	92.4	Very high	58 Å²	58	56.8 Å²	56.8	41%	0.406	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-35.4	-179.8	-179.2	0	0	0	0	113.6	V608 Q616	V608-S612 WeakPolarHBondContact O-CB 3.5Å; V608-S612 PolarHBondContact O-N 2.88Å; S612-Q616 PolarHBondContact O-NE2 3.45Å
613	K	88.7	Confident	92.5	Very high	123 Å²	123	58.2 Å²	58.2	54%	0.535	31%	0.307	S	S	.	.	H	α-helix	trans	-72.3	-33.1	171	-71.5	174.2	-177.7	171.2	0	112.1	L609 Y611	L609-K613 WeakPolarHBondContact O-CB 3.08Å; L609-K613 WeakPolarHBondContact O-CD 3.26Å; L609-K613 VanDerWaalsContact O-CG 3.25Å; L609-K613 WeakPolarHBondContact O-CG 3.45Å; L609-K613 PolarHBondContact O-N 3.26Å; Y611-K613 VanDerWaalsContact C-N 3.34Å; Y611-K613 PolarHBondContact O-N 3.4Å
614	F	91.5	Very high	92.5	Very high	11 Å²	11	67.5 Å²	67.5	5%	0.048	34%	0.342	C	S	.	.	H	α-helix	trans	-80.7	-30.5	-174.9	-147.7	-101.8	0	0	0	113.4	L344 T419 V423 L597 W598 R610 Y611 Q616 V617 L618	L344-F614 HydrophobicContact CD1-CE2 4.14Å; L344-F614 HydrophobicContact CD1-CZ 3.8Å; L344-F614 HydrophobicContact CD2-CZ 3.99Å; L344-F614 HydrophobicContact CG-CE2 4.25Å; L344-F614 HydrophobicContact CG-CZ 3.95Å; T419-F614 HydrophobicContact CG2-CD1 3.54Å; T419-F614 HydrophobicContact CG2-CE1 3.58Å; V423-F614 HydrophobicContact CG2-CE1 3.67Å; V423-F614 HydrophobicContact CG2-CZ 4.09Å; L597-F614 HydrophobicContact CB-CE1 4.46Å; L597-F614 HydrophobicContact CB-CE2 4.3Å; L597-F614 HydrophobicContact CB-CZ 3.98Å; L597-F614 HydrophobicContact CD2-CE1 3.75Å; L597-F614 HydrophobicContact CD2-CZ 3.68Å; L597-F614 HydrophobicContact CG-CZ 4.42Å; L597-F614 VanDerWaalsContact O-CE2 3.22Å; L597-F614 WeakPolarHBondContact O-CE2 3.37Å; W598-F614 AromaticContact CD1-CD2 3.78Å; W598-F614 AromaticContact NE1-CD2 3.52Å; W598-F614 AromaticContact NE1-CG 3.67Å; R610-F614 VanDerWaalsContact O-CB 3.26Å; R610-F614 WeakPolarHBondContact O-CB 3.43Å; R610-F614 PolarHBondContact O-N 3.37Å; R610-F614 VanDerWaalsContact O-N 3.12Å; Y611-F614 CarbonylContact O-C 3.59Å; Y611-F614 PolarHBondContact O-N 3.45Å; F614-Q616 PolarHBondContact O-N 3.01Å; F614-V617 HydrophobicContact CD2-CB 4.47Å; F614-V617 CarbonylContact O-C 3.58Å; F614-V617 WeakPolarHBondContact O-CA 3.42Å; F614-V617 WeakPolarHBondContact O-CB 3.35Å; F614-V617 PolarHBondContact O-N 2.96Å; F614-L618 HydrophobicContact CD1-CD1 4.46Å; F614-L618 HydrophobicContact CD1-CD2 4.03Å; F614-L618 HydrophobicContact CD1-CG 4.01Å; F614-L618 HydrophobicContact CE1-CD2 3.8Å; F614-L618 HydrophobicContact CE1-CG 4.31Å; F614-L618 WeakPolarHBondContact O-CG 3.27Å; F614-L618 PolarHBondContact O-N 3.4Å
615	D	91.8	Very high	92.6	Very high	56 Å²	56	63 Å²	63	30%	0.299	32%	0.322	S	S	.	.	H	α-helix	trans	-53.3	-44.9	169.9	-176.2	95.2	0	0	0	110.9	Q470 Y611 V617 L618 T619	Q470-D615 VanDerWaalsContact NE2-CG 3.25Å; Q470-D615 PolarHBondContact NE2-OD1 3.19Å; Q470-D615 PolarHBondContact NE2-OD2 2.79Å; Y611-D615 PolarHBondContact O-N 2.9Å; D615-V617 PolarHBondContact O-N 3.49Å; D615-L618 PolarHBondContact O-N 2.85Å; D615-L618 VanDerWaalsContact O-N 3.17Å; D615-T619 VanDerWaalsContact O-CB 3.23Å; D615-T619 WeakPolarHBondContact O-CB 3.16Å; D615-T619 PolarHBondContact O-N 3.05Å; D615-T619 PolarHBondContact O-OG1 2.84Å; D615-T619 PolarHBondContact OD2-OG1 3.46Å; D615-T619 VanDerWaalsContact OD2-OG1 3.12Å
616	Q	93.5	Very high	92.8	Very high	125 Å²	125	58.6 Å²	58.6	58%	0.584	30%	0.301	S	S	*	.	H	α-helix	trans	-59.7	-35.5	176.9	-60.3	170.1	49.9	0	0	111.9	S612 F614 A620	S612-Q616 PolarHBondContact O-NE2 3.45Å; F614-Q616 PolarHBondContact O-N 3.01Å; Q616-A620 WeakPolarHBondContact O-CB 3.48Å; Q616-A620 PolarHBondContact O-N 3.32Å
617	V	94.9	Very high	93	Very high	55 Å²	55	58.6 Å²	58.6	33%	0.333	31%	0.306	S	S	.	.	H	α-helix	trans	-70.1	-47.5	174.8	179	0	0	0	0	111.2	L344 F614 D615 T619 A620 L621	L344-V617 HydrophobicContact CD1-CG1 3.81Å; F614-V617 HydrophobicContact CD2-CB 4.47Å; F614-V617 CarbonylContact O-C 3.58Å; F614-V617 WeakPolarHBondContact O-CA 3.42Å; F614-V617 WeakPolarHBondContact O-CB 3.35Å; F614-V617 PolarHBondContact O-N 2.96Å; D615-V617 PolarHBondContact O-N 3.49Å; V617-T619 VanDerWaalsContact C-N 3.28Å; V617-T619 PolarHBondContact O-N 3.36Å; V617-A620 PolarHBondContact O-N 2.99Å; V617-L621 HydrophobicContact CG1-CD1 4.23Å; V617-L621 WeakPolarHBondContact O-CG 3.13Å; V617-L621 PolarHBondContact O-N 3.08Å
618	L	95.4	Very high	93	Very high	6 Å²	6	59 Å²	59	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-58.8	-42.5	174.9	-60.3	-178.1	0	0	0	111	T419 V423 L426 Q470 F614 D615 L621 S622	T419-L618 HydrophobicContact CG2-CD1 4.45Å; V423-L618 HydrophobicContact CG2-CD2 3.58Å; L426-L618 HydrophobicContact CD1-CB 4.07Å; L426-L618 HydrophobicContact CD1-CD2 4.04Å; Q470-L618 HydrophobicContact CB-CB 4.21Å; Q470-L618 HydrophobicContact CG-CB 3.79Å; F614-L618 HydrophobicContact CD1-CD1 4.46Å; F614-L618 HydrophobicContact CD1-CD2 4.03Å; F614-L618 HydrophobicContact CD1-CG 4.01Å; F614-L618 HydrophobicContact CE1-CD2 3.8Å; F614-L618 HydrophobicContact CE1-CG 4.31Å; F614-L618 WeakPolarHBondContact O-CG 3.27Å; F614-L618 PolarHBondContact O-N 3.4Å; D615-L618 PolarHBondContact O-N 2.85Å; D615-L618 VanDerWaalsContact O-N 3.17Å; L618-L621 PolarHBondContact O-N 3.23Å; L618-S622 WeakPolarHBondContact O-CB 3.39Å; L618-S622 PolarHBondContact O-N 3.03Å
619	T	96.6	Very high	92.5	Very high	47 Å²	47	63.3 Å²	63.3	29%	0.288	33%	0.333	S	S	.	.	H	α-helix	trans	-65.8	-39.6	179.1	-66	0	0	0	0	110.8	Q470 D615 V617 N623	Q470-T619 WeakPolarHBondContact CG-OG1 3.05Å; Q470-T619 PolarHBondContact NE2-OG1 2.83Å; D615-T619 VanDerWaalsContact O-CB 3.23Å; D615-T619 WeakPolarHBondContact O-CB 3.16Å; D615-T619 PolarHBondContact O-N 3.05Å; D615-T619 PolarHBondContact O-OG1 2.84Å; D615-T619 PolarHBondContact OD2-OG1 3.46Å; D615-T619 VanDerWaalsContact OD2-OG1 3.12Å; V617-T619 VanDerWaalsContact C-N 3.28Å; V617-T619 PolarHBondContact O-N 3.36Å; T619-N623 WeakPolarHBondContact O-CB 3.37Å; T619-N623 PolarHBondContact O-N 3.42Å; T619-N623 PolarHBondContact O-ND2 3.21Å
620	A	96.2	Very high	91.5	Very high	62 Å²	62	69.9 Å²	69.9	51%	0.512	35%	0.352	S	S	.	.	H	α-helix	trans	-65.9	-41.9	172.8	0	0	0	0	0	112.6	Q616 V617 R624	Q616-A620 WeakPolarHBondContact O-CB 3.48Å; Q616-A620 PolarHBondContact O-N 3.32Å; V617-A620 PolarHBondContact O-N 2.99Å; A620-R624 WeakPolarHBondContact O-CB 3.36Å; A620-R624 PolarHBondContact O-N 3.07Å
621	L	95.5	Very high	89.4	Confident	42 Å²	42	80.7 Å²	80.7	22%	0.22	39%	0.393	C	S	.	.	H	α-helix	trans	-64.2	-44.5	176.2	-69	171	0	0	0	111.9	L344 L426 V617 L618 R624 L625	L344-L621 HydrophobicContact CD1-CD1 4.43Å; L426-L621 HydrophobicContact CB-CB 4.12Å; L426-L621 HydrophobicContact CB-CD1 4.47Å; V617-L621 HydrophobicContact CG1-CD1 4.23Å; V617-L621 WeakPolarHBondContact O-CG 3.13Å; V617-L621 PolarHBondContact O-N 3.08Å; L618-L621 PolarHBondContact O-N 3.23Å; L621-R624 WeakPolarHBondContact O-CB 3.4Å; L621-R624 PolarHBondContact O-N 2.96Å; L621-R624 VanDerWaalsContact O-N 3.15Å; L621-L625 PolarHBondContact O-N 2.83Å
622	S	97.4	Very high	87	Confident	0 Å²	0	88.6 Å²	88.6	0%	0	45%	0.45	C	S	.	.	H	α-helix	trans	-61.8	-48.3	177.2	-178.9	0	0	0	0	112.3	Q470 R473 L618 R624 L625 E626	Q470-S622 VanDerWaalsContact O-CB 3.3Å; Q470-S622 WeakPolarHBondContact O-CB 3.33Å; Q470-S622 PolarHBondContact O-OG 3.19Å; R473-S622 WeakPolarHBondContact CD-OG 3.27Å; R473-S622 WeakPolarHBondContact CG-OG 3.46Å; L618-S622 WeakPolarHBondContact O-CB 3.39Å; L618-S622 PolarHBondContact O-N 3.03Å; S622-R624 PolarHBondContact O-N 2.84Å; S622-L625 PolarHBondContact O-N 2.75Å; S622-E626 PolarHBondContact O-N 3.22Å
623	N	96.1	Very high	86.9	Confident	50 Å²	50	90.2 Å²	90.2	27%	0.267	45%	0.452	S	S	.	.	H	α-helix	trans	-64.9	-22.9	174.7	-74.5	-63.3	0	0	0	113.3	R473 T619 P627 P628	R473-N623 VanDerWaalsContact CZ-OD1 3.24Å; R473-N623 PolarHBondContact NH1-OD1 2.89Å; R473-N623 PolarHBondContact NH2-OD1 2.83Å; T619-N623 WeakPolarHBondContact O-CB 3.37Å; T619-N623 PolarHBondContact O-N 3.42Å; T619-N623 PolarHBondContact O-ND2 3.21Å; N623-P627 WeakPolarHBondContact O-CA 3.42Å; N623-P628 WeakPolarHBondContact OD1-CD 3.49Å
624	R	94.5	Very high	86.8	Confident	197 Å²	197	88.4 Å²	88.4	74%	0.743	45%	0.448	S	S	*	.	H	α-helix	trans	-79.1	-35.3	174.7	-178.6	179.5	176.1	-171.2	-1.7	112.6	A620 L621 S622	A620-R624 WeakPolarHBondContact O-CB 3.36Å; A620-R624 PolarHBondContact O-N 3.07Å; L621-R624 WeakPolarHBondContact O-CB 3.4Å; L621-R624 PolarHBondContact O-N 2.96Å; L621-R624 VanDerWaalsContact O-N 3.15Å; S622-R624 PolarHBondContact O-N 2.84Å
625	L	95.1	Very high	86.5	Confident	32 Å²	32	92.7 Å²	92.7	17%	0.168	47%	0.47	C	S	.	.	H	α-helix	trans	-73.2	-49.5	174.5	-73.2	176.7	0	0	0	111.7	L426 T429 L621 S622	L426-L625 HydrophobicContact CD2-CD1 4.04Å; L426-L625 WeakPolarHBondContact O-CD1 3.44Å; T429-L625 HydrophobicContact CG2-CD2 4.25Å; L621-L625 PolarHBondContact O-N 2.83Å; S622-L625 PolarHBondContact O-N 2.75Å
626	E	95.3	Very high	86.2	Confident	8 Å²	8	94.9 Å²	94.9	4%	0.037	48%	0.48	C	S	.	.	S	Bend	trans	-133.8	88.6	-176.6	-66.3	-173.9	-151.1	0	0	109.6	R435 R473 L474 E475 Q476 T477 S622	R435-E626 IonicContact CZ-OE1 3.77Å; R435-E626 IonicContact NE-OE1 3.83Å; R435-E626 IonicContact NH2-OE1 2.85Å; R435-E626 PolarHBondContact NH2-OE1 3.33Å; R473-E626 PolarHBondContact NH2-O 3.09Å; L474-E626 WeakPolarHBondContact CA-OE2 3.26Å; L474-E626 HydrophobicContact CD2-CB 4Å; L474-E626 HydrophobicContact CD2-CG 4.09Å; E475-E626 PolarHBondContact N-OE2 2.74Å; E475-E626 VanDerWaalsContact N-OE2 3.12Å; Q476-E626 HydrophobicContact CB-CG 4.45Å; Q476-E626 WeakPolarHBondContact CB-OE2 3.4Å; Q476-E626 HydrophobicContact CG-CG 4.45Å; Q476-E626 WeakPolarHBondContact CG-OE2 3.35Å; Q476-E626 PolarHBondContact N-OE2 2.91Å; T477-E626 WeakPolarHBondContact CB-OE1 3.46Å; T477-E626 PolarHBondContact N-OE1 3.2Å; T477-E626 PolarHBondContact OG1-OE1 3.39Å; S622-E626 PolarHBondContact O-N 3.22Å
627	P	93.9	Very high	85.8	Confident	92 Å²	92	93 Å²	93	60%	0.597	47%	0.474	S	S	*	.			trans	-55.6	141.5	-179.2	-27.7	35.6	0	0	0	112.5	N623 I629	N623-P627 WeakPolarHBondContact O-CA 3.42Å; P627-I629 PolarHBondContact O-N 2.86Å
628	P	88.1	Confident	85.2	Confident	76 Å²	76	95.5 Å²	95.5	49%	0.494	48%	0.483	S	S	.	.			trans	-65.7	136.2	-179.8	28.2	-31.6	0	0	0	109.7	N623 R630	N623-P628 WeakPolarHBondContact OD1-CD 3.49Å; P628-R630 PolarHBondContact O-N 2.86Å
629	I	77.8	Confident	84.4	Confident	160 Å²	160	101.9 Å²	101.9	82%	0.821	52%	0.516	S	S	*	.			trans	-60.2	112.7	178.9	-58.1	173.7	0	0	0	108.5	P627 R631	P627-I629 PolarHBondContact O-N 2.86Å; I629-R631 PolarHBondContact O-N 2.86Å; I629-R631 VanDerWaalsContact O-N 3.11Å
630	R	66.4	Low	83.5	Confident	225 Å²	225	106.2 Å²	106.2	85%	0.849	53%	0.533	S	S	*	.			trans	-64.7	112.4	170.9	-67.5	-174.6	-179	-171.7	0.4	108	P628 C632	P628-R630 PolarHBondContact O-N 2.86Å; R630-C632 PolarHBondContact O-N 3.3Å
631	R	49.9	Very low	82.4	Confident	243 Å²	243	109.8 Å²	109.8	92%	0.917	54%	0.535	S	S	*	.			trans	-74.1	105.2	163.3	-65.3	-176	-178.4	-175.1	0.5	106.9	I629	I629-R631 PolarHBondContact O-N 2.86Å; I629-R631 VanDerWaalsContact O-N 3.11Å
632	C	39.3	Very low	81.2	Confident	193 Å²	193	116 Å²	116	100%	1.304	56%	0.563	S	S	*	*			trans	-76.5	0	165.5	-59.9	0	0	0	0	110.1	R630	R630-C632 PolarHBondContact O-N 3.3Å

Retrieved 632 of 632 residues in 790.1 ms (Link to these results)

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