A0A087X5N5_POEFO Loading...

ATP-dependent RNA helicase DHX15

AlphaFold DB , UniProt , Accession A0A087X5N5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 727 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	R	34.9	Very low	35.9	Very low	297 Å²	297	199.9 Å²	199.9	100%	1.121	86%	0.857	S	S	*	*				0	72.9	0	-74.7	-176.1	177.8	-179.9	-0.4	105.9
2	D	35.9	Very low	35.8	Very low	129 Å²	129	195.5 Å²	195.5	69%	0.69	85%	0.851	S	S	*	*				71.1	98	94.5	-98.5	37.6	0	0	0	111.7
3	R	35	Very low	35.5	Very low	216 Å²	216	199.8 Å²	199.8	82%	0.815	86%	0.859	S	S	*	*				151.9	131.7	94.6	-92.9	167.5	-165	-159.7	-0.1	113.5
4	D	44.2	Very low	35.2	Very low	145 Å²	145	195.4 Å²	195.4	78%	0.775	86%	0.858	S	S	*	*			trans	-50.4	162.8	159.8	-55.7	-63.7	0	0	0	114.6
5	R	38.7	Very low	34.7	Very low	241 Å²	241	187.4 Å²	187.4	91%	0.909	85%	0.852	S	S	*	*				-163.2	118.6	127.1	-106.8	169.2	-164.8	-170.6	4.4	113.3
6	D	40	Very low	34.4	Very low	145 Å²	145	184.4 Å²	184.4	78%	0.775	85%	0.846	S	S	*	*			trans	-49.7	157.3	160.3	-62	-56.5	0	0	0	114.3
7	R	33.5	Very low	34.2	Very low	237 Å²	237	187.8 Å²	187.8	89%	0.894	85%	0.85	S	S	*	*				-173.2	114.5	113.5	-101.4	169.6	-175.1	-174.6	2.2	113.5
8	D	36.6	Very low	33.8	Very low	152 Å²	152	181.3 Å²	181.3	81%	0.813	84%	0.844	S	S	*	*			trans	-53.5	152.3	152.9	-85.8	-41.1	0	0	0	113.5
9	R	32.1	Very low	33.6	Very low	241 Å²	241	181.7 Å²	181.7	91%	0.909	85%	0.846	S	S	*	*			trans	-160.9	103.8	139.7	-107.6	171.3	-165.7	-168.8	3.5	112
10	N	32.8	Very low	33.3	Very low	147 Å²	147	181.1 Å²	181.1	79%	0.786	85%	0.849	S	S	*	*			trans	-57.1	149.8	156.4	-93	-21.2	0	0	0	112.2
11	R	31.6	Very low	33.1	Very low	249 Å²	249	176.8 Å²	176.8	94%	0.94	84%	0.844	S	S	*	*			trans	-163.8	114.1	137.2	-112.6	173.4	-175.7	-176.8	0.9	112.7
12	D	34.2	Very low	32.9	Very low	147 Å²	147	171.1 Å²	171.1	79%	0.786	83%	0.832	S	S	*	*			trans	-55.3	150.1	161.5	-68.3	-55.7	0	0	0	113.1
13	R	31.7	Very low	32.5	Very low	251 Å²	251	170.5 Å²	170.5	95%	0.947	84%	0.838	S	S	*	*			trans	-150.6	128.8	143.8	-111.8	177.8	-175.8	-177	-0.1	111.5
14	T	31.5	Very low	32.1	Very low	139 Å²	139	164 Å²	164	85%	0.853	84%	0.839	S	S	*	*			trans	-89.5	158.7	-175.1	40.6	0	0	0	0	113.5
15	G	28	Very low	31.2	Very low	75 Å²	75	160.5 Å²	160.5	77%	0.773	84%	0.836	S	S	*	*			trans	106.6	145.2	149.4	0	0	0	0	0	116.1
16	N	29.8	Very low	30.6	Very low	139 Å²	139	156.6 Å²	156.6	74%	0.743	83%	0.834	S	S	*	*			cis	-178.7	133.4	-9.1	-171.8	24.8	0	0	0	106.5
17	R	31.5	Very low	30.5	Very low	242 Å²	242	154.8 Å²	154.8	91%	0.913	83%	0.83	S	S	*	*			trans	36.7	139.1	149.6	-72.1	174.7	-178.4	-173.6	0.1	124.8
18	G	26.9	Very low	30.2	Very low	72 Å²	72	151 Å²	151	74%	0.742	83%	0.833	S	S	*	*			trans	151.8	91.7	150.4	0	0	0	0	0	112.2
19	Q	30	Very low	29.9	Very low	188 Å²	188	148.2 Å²	148.2	88%	0.879	83%	0.831	S	S	*	*				41	107.1	94.6	-83.5	-176.7	-17.7	0	0	116.2
20	D	28.2	Very low	29.7	Very low	170 Å²	170	142.4 Å²	142.4	91%	0.909	83%	0.827	S	S	*	*				-174.9	156.6	109.5	-95.7	-24.8	0	0	0	113.8
21	A	29.2	Very low	29.4	Very low	91 Å²	91	140.5 Å²	140.5	75%	0.752	83%	0.832	S	S	*	*			trans	-82.7	154	-164	0	0	0	0	0	116.3
22	M	28.8	Very low	29.3	Very low	178 Å²	178	133.2 Å²	133.2	88%	0.877	83%	0.825	S	S	*	*				173	125.9	109.5	-98.2	-165.7	171	0	0	114.4
23	S	27.6	Very low	28.9	Very low	115 Å²	115	130.1 Å²	130.1	80%	0.804	82%	0.82	S	S	*	*			trans	50.4	118.3	138.7	66.4	0	0	0	0	123
24	G	26.7	Very low	28.6	Very low	81 Å²	81	123.5 Å²	123.5	84%	0.835	81%	0.812	S	S	*	*			trans	-178.4	102.9	150.9	0	0	0	0	0	110.2
25	G	25.1	Very low	28.6	Very low	70 Å²	70	124.1 Å²	124.1	72%	0.722	80%	0.799	S	S	*	*			trans	-84.3	143.1	-170.5	0	0	0	0	0	115.8
26	D	28	Very low	28.6	Very low	160 Å²	160	125.4 Å²	125.4	86%	0.856	80%	0.796	S	S	*	*			trans	42.7	158.1	130.8	-73.4	-11	0	0	0	122.5
27	P	36.7	Very low	28.9	Very low	107 Å²	107	127 Å²	127	70%	0.695	80%	0.796	S	S	*	*			cis	-138	146.4	-1.9	29.2	-7.5	0	0	0	115.3
28	V	28.5	Very low	28.9	Very low	157 Å²	157	119.4 Å²	119.4	95%	0.952	79%	0.785	S	S	*	*			trans	-137.5	85.6	146.5	-174.1	0	0	0	0	108.6
29	A	28.8	Very low	29.4	Very low	93 Å²	93	124.2 Å²	124.2	77%	0.769	79%	0.794	S	S	*	*			trans	-128.4	107.6	164.4	0	0	0	0	0	108
30	S	28.3	Very low	29.3	Very low	119 Å²	119	125.4 Å²	125.4	83%	0.832	79%	0.79	S	S	*	*			trans	176.6	120.6	133.4	59.4	0	0	0	0	110.5
31	A	27.5	Very low	29.4	Very low	107 Å²	107	122.1 Å²	122.1	88%	0.884	78%	0.778	S	S	*	*			trans	165.7	48.2	141.7	0	0	0	0	0	110.4
32	A	27.6	Very low	29.9	Very low	97 Å²	97	124 Å²	124	80%	0.802	78%	0.783	S	S	*	*			trans	-100.7	98.7	157.8	0	0	0	0	0	106.2	S34	A32-S34 PolarHBondContact O-N 3.24Å
33	A	26.9	Very low	30.5	Very low	82 Å²	82	120.4 Å²	120.4	68%	0.678	77%	0.771	S	S	*	*			trans	-65.7	105.5	173.2	0	0	0	0	0	108.4	W35	A33-W35 PolarHBondContact O-N 3.03Å
34	S	25.1	Very low	31.7	Very low	111 Å²	111	121.6 Å²	121.6	78%	0.776	76%	0.764	S	S	*	*			trans	-70.2	107.3	174	56.2	0	0	0	0	109.6	A32 S36	A32-S34 PolarHBondContact O-N 3.24Å; S34-S36 PolarHBondContact O-N 3.21Å
35	W	32.7	Very low	33.1	Very low	153 Å²	153	123.7 Å²	123.7	58%	0.58	75%	0.752	S	S	*	*			trans	-80.5	92.4	170.3	-65.4	83.4	0	0	0	109	A33	A33-W35 PolarHBondContact O-N 3.03Å
36	S	26.7	Very low	35.5	Very low	102 Å²	102	127.6 Å²	127.6	71%	0.713	75%	0.751	S	S	*	*			trans	-93.3	96.8	172.8	63.3	0	0	0	0	110.5	S34 A38	S34-S36 PolarHBondContact O-N 3.21Å; S36-A38 VanDerWaalsContact C-N 3.29Å; S36-A38 PolarHBondContact O-N 3.14Å; S36-A38 VanDerWaalsContact O-N 3.14Å
37	F	35.7	Very low	38.4	Very low	172 Å²	172	123.5 Å²	123.5	75%	0.754	73%	0.732	S	S	*	*			trans	-77.6	88.1	156.2	-83.2	-85.8	0	0	0	107.6	N39	F37-N39 PolarHBondContact O-N 3.26Å
38	A	31.2	Very low	41.1	Very low	82 Å²	82	118.5 Å²	118.5	68%	0.678	70%	0.699	S	S	*	*			trans	-63.4	126.2	171.9	0	0	0	0	0	109.4	S36 R40	S36-A38 VanDerWaalsContact C-N 3.29Å; S36-A38 PolarHBondContact O-N 3.14Å; S36-A38 VanDerWaalsContact O-N 3.14Å; A38-R40 PolarHBondContact O-N 3.21Å
39	N	37.2	Very low	44.1	Very low	174 Å²	174	113 Å²	113	93%	0.93	67%	0.667	S	S	*	*			trans	-36.7	99.1	165	-97.3	-21.4	0	0	0	111.2	F37	F37-N39 PolarHBondContact O-N 3.26Å
40	R	28.6	Very low	47.1	Very low	212 Å²	212	110.6 Å²	110.6	80%	0.8	64%	0.64	S	S	*	*			trans	-108.8	134.7	156.3	-76.7	-174.1	176.9	-174.6	-0.1	106.7	A38	A38-R40 PolarHBondContact O-N 3.21Å
41	P	30.4	Very low	50	Low	101 Å²	101	107.7 Å²	107.7	66%	0.656	62%	0.617	S	S	*	*			trans	-55.2	157.9	161.8	28.4	-32.8	0	0	0	107.8	V43	P41-V43 PolarHBondContact O-N 3.34Å
42	P	39.4	Very low	53.1	Low	130 Å²	130	108.8 Å²	108.8	84%	0.844	61%	0.608	S	S	*	*			trans	-65.1	89.1	-179.5	27.9	-32.3	0	0	0	108.2	Q44	P42-Q44 VanDerWaalsContact C-N 3.29Å; P42-Q44 PolarHBondContact O-N 3.47Å
43	V	41.7	Very low	56.2	Low	104 Å²	104	109.4 Å²	109.4	63%	0.63	60%	0.597	S	S	*	*			trans	-61.5	105.8	162	179.7	0	0	0	0	102.4	P41 Q45	P41-V43 PolarHBondContact O-N 3.34Å; V43-Q45 VanDerWaalsContact C-N 3.28Å; V43-Q45 PolarHBondContact O-N 2.9Å
44	Q	52	Low	59.4	Low	139 Å²	139	110 Å²	110	65%	0.65	59%	0.594	S	S	*	*			trans	-44.8	103.6	165.9	-75.5	168.4	-20.4	0	0	105.6	P42 Q46	P42-Q44 VanDerWaalsContact C-N 3.29Å; P42-Q44 PolarHBondContact O-N 3.47Å; Q44-Q46 VanDerWaalsContact C-N 3.27Å; Q44-Q46 PolarHBondContact O-N 2.88Å
45	Q	57.3	Low	62.7	Low	126 Å²	126	105.7 Å²	105.7	59%	0.589	56%	0.562	S	S	*	*			trans	-57.5	106	168.2	-81.8	178.6	-10.1	0	0	103.5	V43 T47 H55	V43-Q45 VanDerWaalsContact C-N 3.28Å; V43-Q45 PolarHBondContact O-N 2.9Å; Q45-T47 PolarHBondContact O-N 3.37Å; Q45-H55 PolarHBondContact O-CD2 2.97Å; Q45-H55 VanDerWaalsContact O-CD2 3.27Å
46	Q	74.8	Confident	65.7	Low	151 Å²	151	101 Å²	101	71%	0.706	55%	0.55	S	S	*	.	S	Bend	trans	-65.7	-27.4	180	-78.6	-174.8	-8.6	0	0	109.6	Q44 P54 H55	Q44-Q46 VanDerWaalsContact C-N 3.27Å; Q44-Q46 PolarHBondContact O-N 2.88Å; Q46-P54 CarbonylContact O-C 3.48Å; Q46-P54 WeakPolarHBondContact O-CA 3.35Å; Q46-H55 PolarHBondContact O-N 3.21Å
47	T	89.7	Confident	69	Low	75 Å²	75	101 Å²	101	46%	0.46	55%	0.548	S	S	.	.	B	Isolated β-bridge	trans	-102.2	133.9	-178.5	48.1	0	0	0	0	112	Q45 L53	Q45-T47 PolarHBondContact O-N 3.37Å; T47-L53 CarbonylContact C-O 3.52Å; T47-L53 WeakPolarHBondContact CA-O 3.32Å
48	N	92.9	Very high	71.6	Confident	1 Å²	1	99.2 Å²	99.2	1%	0.005	54%	0.536	C	S	.	.			trans	-67.6	123.4	171.2	-178.4	-38.4	0	0	0	109.4	F50 T51 N52 L53 H55 M141 D142	N48-F50 PolarHBondContact O-N 2.93Å; N48-F50 VanDerWaalsContact O-N 3.15Å; N48-F50 WeakPolarHBondContact OD1-CB 3.37Å; N48-F50 WeakPolarHBondContact OD1-CD2 3.41Å; N48-F50 PolarHBondContact OD1-N 3.48Å; N48-T51 WeakPolarHBondContact CB-OG1 3.49Å; N48-T51 PolarHBondContact O-N 3.47Å; N48-T51 PolarHBondContact OD1-N 3.06Å; N48-N52 VanDerWaalsContact O-CA 3.29Å; N48-N52 WeakPolarHBondContact O-CA 3.14Å; N48-N52 PolarHBondContact O-N 3.34Å; N48-L53 WeakPolarHBondContact CB-O 3.28Å; N48-L53 PolarHBondContact N-O 2.94Å; N48-H55 WeakPolarHBondContact CA-NE2 3.48Å; N48-M141 PolarHBondContact ND2-O 2.99Å; N48-M141 VanDerWaalsContact ND2-O 3.15Å; N48-D142 PolarHBondContact ND2-O 3.29Å
49	P	90.9	Very high	74.6	Confident	43 Å²	43	97.2 Å²	97.2	28%	0.279	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-0.5	-172.7	34.3	-40.1	0	0	0	114	R111	P49-R111 VanDerWaalsContact CG-NH1 3.26Å; P49-R111 PolarHBondContact O-NH2 2.94Å
50	F	91.4	Very high	77.3	Confident	42 Å²	42	91.7 Å²	91.7	18%	0.184	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-38.8	175.5	-58.3	-77.1	0	0	0	112.3	N48 V107 M141 V143 E148 V164	N48-F50 PolarHBondContact O-N 2.93Å; N48-F50 VanDerWaalsContact O-N 3.15Å; N48-F50 WeakPolarHBondContact OD1-CB 3.37Å; N48-F50 WeakPolarHBondContact OD1-CD2 3.41Å; N48-F50 PolarHBondContact OD1-N 3.48Å; F50-V107 HydrophobicContact CZ-CG1 3.95Å; F50-M141 HydrophobicContact CD2-CE 4.44Å; F50-M141 HydrophobicContact CE2-CE 3.45Å; F50-M141 VanDerWaalsContact CE2-CE 3.45Å; F50-M141 HydrophobicContact CZ-CE 3.62Å; F50-V143 HydrophobicContact CB-CG1 4.32Å; F50-V143 HydrophobicContact CD2-CG1 4.29Å; F50-E148 HydrophobicContact CB-CG 3.85Å; F50-E148 HydrophobicContact CD1-CG 3.86Å; F50-E148 HydrophobicContact CG-CG 3.94Å; F50-V164 HydrophobicContact CE1-CG2 3.93Å; F50-V164 HydrophobicContact CZ-CG2 4.38Å
51	T	91.1	Very high	80.3	Confident	58 Å²	58	87.4 Å²	87.4	36%	0.356	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-15.3	-178.7	65.8	0	0	0	0	113.2	N48 L53	N48-T51 WeakPolarHBondContact CB-OG1 3.49Å; N48-T51 PolarHBondContact O-N 3.47Å; N48-T51 PolarHBondContact OD1-N 3.06Å; T51-L53 PolarHBondContact O-N 2.82Å; T51-L53 PolarHBondContact OG1-N 3.42Å
52	N	92	Very high	83.1	Confident	130 Å²	130	83.3 Å²	83.3	70%	0.695	44%	0.441	S	S	*	.			trans	57.5	18.1	-170.7	-58	-52.4	0	0	0	114.1	N48	N48-N52 VanDerWaalsContact O-CA 3.29Å; N48-N52 WeakPolarHBondContact O-CA 3.14Å; N48-N52 PolarHBondContact O-N 3.34Å
53	L	93	Very high	85.7	Confident	109 Å²	109	78.6 Å²	78.6	57%	0.571	41%	0.409	S	S	*	.	S	Bend	trans	-103.3	158.4	175.5	-64.2	175.8	0	0	0	110.4	T47 N48 T51	T47-L53 CarbonylContact C-O 3.52Å; T47-L53 WeakPolarHBondContact CA-O 3.32Å; N48-L53 WeakPolarHBondContact CB-O 3.28Å; N48-L53 PolarHBondContact N-O 2.94Å; T51-L53 PolarHBondContact O-N 2.82Å; T51-L53 PolarHBondContact OG1-N 3.42Å
54	P	94.4	Very high	88.1	Confident	96 Å²	96	79.8 Å²	79.8	62%	0.623	41%	0.407	S	S	*	.	B	Isolated β-bridge	trans	-56.8	143.2	171.1	-23.3	34	0	0	0	111.9	Q46	Q46-P54 CarbonylContact O-C 3.48Å; Q46-P54 WeakPolarHBondContact O-CA 3.35Å
55	H	94.4	Very high	89.7	Confident	19 Å²	19	80.2 Å²	80.2	9%	0.088	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-63.2	146.9	173.6	-82.1	-69.2	0	0	0	112	Q45 Q46 N48 Y59 D142	Q45-H55 PolarHBondContact O-CD2 2.97Å; Q45-H55 VanDerWaalsContact O-CD2 3.27Å; Q46-H55 PolarHBondContact O-N 3.21Å; N48-H55 WeakPolarHBondContact CA-NE2 3.48Å; H55-Y59 HydrophobicContact CB-CD1 3.47Å; H55-Y59 VanDerWaalsContact CB-CD1 3.47Å; H55-Y59 HydrophobicContact CB-CE1 3.97Å; H55-Y59 HydrophobicContact CB-CG 4.05Å; H55-Y59 AromaticContact CD2-CE1 3.71Å; H55-Y59 AromaticContact CE1-CE1 3.92Å; H55-Y59 AromaticContact CE1-CE2 3.8Å; H55-Y59 AromaticContact CE1-CZ 3.69Å; H55-Y59 AromaticContact CG-CD1 3.47Å; H55-Y59 VanDerWaalsContact CG-CD1 3.47Å; H55-Y59 AromaticContact CG-CE1 3.55Å; H55-Y59 AromaticContact CG-CG 3.95Å; H55-Y59 AromaticContact ND1-CD1 3.59Å; H55-Y59 AromaticContact ND1-CD2 3.78Å; H55-Y59 AromaticContact ND1-CE1 3.71Å; H55-Y59 AromaticContact ND1-CE2 3.92Å; H55-Y59 AromaticContact ND1-CG 3.59Å; H55-Y59 AromaticContact ND1-CZ 3.87Å; H55-Y59 AromaticContact NE2-CE1 3.94Å; H55-Y59 AromaticContact NE2-CZ 3.86Å; H55-D142 WeakPolarHBondContact CA-OD2 3.45Å; H55-D142 IonicContact CG-OD2 3.48Å; H55-D142 IonicContact ND1-OD2 3.11Å; H55-D142 PolarHBondContact ND1-OD2 3.26Å
56	T	95.3	Very high	91.3	Very high	54 Å²	54	74.7 Å²	74.7	33%	0.331	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-73.7	158.4	179.2	67.1	0	0	0	0	112.5	R58 Y59 H60 D142	T56-R58 PolarHBondContact O-N 3.33Å; T56-Y59 WeakPolarHBondContact O-CB 3.37Å; T56-Y59 PolarHBondContact O-N 3.35Å; T56-Y59 VanDerWaalsContact O-N 3.15Å; T56-Y59 PolarHBondContact OG1-N 2.89Å; T56-H60 PolarHBondContact O-CD2 3.41Å; T56-H60 PolarHBondContact O-N 2.8Å; T56-D142 WeakPolarHBondContact CB-OD1 3.17Å; T56-D142 VanDerWaalsContact CG2-OD1 3.27Å; T56-D142 WeakPolarHBondContact CG2-OD1 3.26Å; T56-D142 PolarHBondContact N-OD2 2.93Å; T56-D142 PolarHBondContact OG1-OD1 3.25Å; T56-D142 PolarHBondContact OG1-OD2 2.97Å
57	P	94.5	Very high	92	Very high	103 Å²	103	71.8 Å²	71.8	67%	0.669	37%	0.37	S	S	*	.	H	α-helix	trans	-56.8	-38.8	172.8	-26.1	35.1	0	0	0	112.9	Y59 H60 E61	P57-Y59 VanDerWaalsContact C-N 3.3Å; P57-Y59 PolarHBondContact O-N 3.19Å; P57-H60 PolarHBondContact O-N 2.76Å; P57-H60 VanDerWaalsContact O-N 3.11Å; P57-E61 PolarHBondContact O-N 2.99Å; P57-E61 VanDerWaalsContact O-N 3.13Å
58	R	91.9	Very high	92	Very high	134 Å²	134	77.1 Å²	77.1	51%	0.506	38%	0.381	S	S	.	.	H	α-helix	trans	-59	-40.3	177.4	-174.1	-179.5	-178.5	-142.9	-5.9	111.8	T56 H60 E61 I62 D139	T56-R58 PolarHBondContact O-N 3.33Å; R58-H60 VanDerWaalsContact C-N 3.35Å; R58-H60 PolarHBondContact O-N 2.98Å; R58-E61 PolarHBondContact O-N 3.37Å; R58-I62 HydrophobicContact CG-CD1 3.87Å; R58-I62 WeakPolarHBondContact O-CB 3.22Å; R58-I62 VanDerWaalsContact O-CG1 3.28Å; R58-I62 WeakPolarHBondContact O-CG1 3.27Å; R58-I62 PolarHBondContact O-N 2.74Å; R58-I62 VanDerWaalsContact O-N 3.07Å; R58-D139 IonicContact CZ-OD1 2.8Å; R58-D139 IonicContact CZ-OD2 2.69Å; R58-D139 VanDerWaalsContact NH1-CG 3.28Å; R58-D139 IonicContact NH1-OD1 3.32Å; R58-D139 PolarHBondContact NH1-OD1 3.27Å; R58-D139 IonicContact NH1-OD2 3.39Å; R58-D139 IonicContact NH2-OD1 3.73Å; R58-D139 IonicContact NH2-OD2 2.79Å; R58-D139 PolarHBondContact NH2-OD2 3.47Å
59	Y	94.1	Very high	91.8	Very high	40 Å²	40	79.1 Å²	79.1	16%	0.157	39%	0.392	C	S	.	.	H	α-helix	trans	-57.6	-47.1	174.5	166.6	-96.6	0	0	0	111.7	H55 T56 P57 E61 I62 L63 E140 D142	H55-Y59 HydrophobicContact CB-CD1 3.47Å; H55-Y59 VanDerWaalsContact CB-CD1 3.47Å; H55-Y59 HydrophobicContact CB-CE1 3.97Å; H55-Y59 HydrophobicContact CB-CG 4.05Å; H55-Y59 AromaticContact CD2-CE1 3.71Å; H55-Y59 AromaticContact CE1-CE1 3.92Å; H55-Y59 AromaticContact CE1-CE2 3.8Å; H55-Y59 AromaticContact CE1-CZ 3.69Å; H55-Y59 AromaticContact CG-CD1 3.47Å; H55-Y59 VanDerWaalsContact CG-CD1 3.47Å; H55-Y59 AromaticContact CG-CE1 3.55Å; H55-Y59 AromaticContact CG-CG 3.95Å; H55-Y59 AromaticContact ND1-CD1 3.59Å; H55-Y59 AromaticContact ND1-CD2 3.78Å; H55-Y59 AromaticContact ND1-CE1 3.71Å; H55-Y59 AromaticContact ND1-CE2 3.92Å; H55-Y59 AromaticContact ND1-CG 3.59Å; H55-Y59 AromaticContact ND1-CZ 3.87Å; H55-Y59 AromaticContact NE2-CE1 3.94Å; H55-Y59 AromaticContact NE2-CZ 3.86Å; T56-Y59 WeakPolarHBondContact O-CB 3.37Å; T56-Y59 PolarHBondContact O-N 3.35Å; T56-Y59 VanDerWaalsContact O-N 3.15Å; T56-Y59 PolarHBondContact OG1-N 2.89Å; P57-Y59 VanDerWaalsContact C-N 3.3Å; P57-Y59 PolarHBondContact O-N 3.19Å; Y59-E61 PolarHBondContact O-N 2.9Å; Y59-I62 PolarHBondContact O-N 2.97Å; Y59-L63 HydrophobicContact CE1-CD2 3.97Å; Y59-L63 VanDerWaalsContact O-CB 3.31Å; Y59-L63 WeakPolarHBondContact O-CB 3.13Å; Y59-L63 PolarHBondContact O-N 2.93Å; Y59-E140 WeakPolarHBondContact CD2-O 3.38Å; Y59-E140 WeakPolarHBondContact CE2-O 3.31Å; Y59-D142 HydrophobicContact CD2-CB 3.93Å; Y59-D142 HydrophobicContact CG-CB 4.2Å
60	H	93.7	Very high	91.7	Very high	58 Å²	58	77.7 Å²	77.7	27%	0.269	38%	0.382	S	S	.	.	H	α-helix	trans	-65.3	-39.5	-178.8	-69.7	-66.5	0	0	0	112.8	T56 P57 R58 I62 L63 Q64	T56-H60 PolarHBondContact O-CD2 3.41Å; T56-H60 PolarHBondContact O-N 2.8Å; P57-H60 PolarHBondContact O-N 2.76Å; P57-H60 VanDerWaalsContact O-N 3.11Å; R58-H60 VanDerWaalsContact C-N 3.35Å; R58-H60 PolarHBondContact O-N 2.98Å; H60-I62 VanDerWaalsContact C-N 3.34Å; H60-I62 PolarHBondContact O-N 2.92Å; H60-L63 PolarHBondContact O-N 2.73Å; H60-Q64 WeakPolarHBondContact O-CG 3.23Å; H60-Q64 PolarHBondContact O-N 3.49Å; H60-Q64 VanDerWaalsContact O-N 3.09Å
61	E	91.8	Very high	91.8	Very high	122 Å²	122	75.7 Å²	75.7	57%	0.57	37%	0.374	S	S	*	.	H	α-helix	trans	-60.9	-43.8	174.1	-69.4	176.2	-172.3	0	0	112	P57 R58 Y59	P57-E61 PolarHBondContact O-N 2.99Å; P57-E61 VanDerWaalsContact O-N 3.13Å; R58-E61 PolarHBondContact O-N 3.37Å; Y59-E61 PolarHBondContact O-N 2.9Å
62	I	89.6	Confident	91.9	Very high	16 Å²	16	75.1 Å²	75.1	8%	0.082	37%	0.365	C	S	.	.	H	α-helix	trans	-68.3	-43	178.9	-68.8	170.4	0	0	0	110.5	R58 Y59 H60 Q64 K65 R66 D139 E140	R58-I62 HydrophobicContact CG-CD1 3.87Å; R58-I62 WeakPolarHBondContact O-CB 3.22Å; R58-I62 VanDerWaalsContact O-CG1 3.28Å; R58-I62 WeakPolarHBondContact O-CG1 3.27Å; R58-I62 PolarHBondContact O-N 2.74Å; R58-I62 VanDerWaalsContact O-N 3.07Å; Y59-I62 PolarHBondContact O-N 2.97Å; H60-I62 VanDerWaalsContact C-N 3.34Å; H60-I62 PolarHBondContact O-N 2.92Å; I62-Q64 VanDerWaalsContact C-N 3.35Å; I62-Q64 PolarHBondContact O-N 3.14Å; I62-K65 PolarHBondContact O-N 3.49Å; I62-R66 VanDerWaalsContact CG2-CD 3.46Å; I62-R66 HydrophobicContact CG2-CG 4.17Å; I62-R66 WeakPolarHBondContact O-CD 3.17Å; I62-R66 VanDerWaalsContact O-CG 3.29Å; I62-R66 WeakPolarHBondContact O-CG 3.32Å; I62-R66 PolarHBondContact O-N 2.64Å; I62-D139 HydrophobicContact CD1-CB 4.35Å; I62-E140 HydrophobicContact CG2-CG 3.67Å
63	L	92.4	Very high	92	Very high	31 Å²	31	74.9 Å²	74.9	16%	0.162	36%	0.36	C	S	.	.	H	α-helix	trans	-57.7	-45.6	178.4	-179.8	62.2	0	0	0	111.6	Y59 H60 K65 R66 L67	Y59-L63 HydrophobicContact CE1-CD2 3.97Å; Y59-L63 VanDerWaalsContact O-CB 3.31Å; Y59-L63 WeakPolarHBondContact O-CB 3.13Å; Y59-L63 PolarHBondContact O-N 2.93Å; H60-L63 PolarHBondContact O-N 2.73Å; L63-K65 VanDerWaalsContact C-N 3.26Å; L63-K65 PolarHBondContact O-N 3.21Å; L63-R66 PolarHBondContact O-N 3.23Å; L63-R66 VanDerWaalsContact O-N 3.15Å; L63-L67 HydrophobicContact CD1-CD1 4.46Å; L63-L67 HydrophobicContact CD1-CD2 4.41Å; L63-L67 HydrophobicContact CD1-CG 4.2Å; L63-L67 HydrophobicContact CG-CD1 4.24Å; L63-L67 HydrophobicContact CG-CG 4.43Å; L63-L67 WeakPolarHBondContact O-CG 3.23Å; L63-L67 PolarHBondContact O-N 2.89Å
64	Q	91.7	Very high	92.1	Very high	128 Å²	128	72.8 Å²	72.8	60%	0.598	35%	0.345	S	S	*	.	H	α-helix	trans	-58.4	-37.2	178	-75.1	-175.2	-1.6	0	0	113.2	H60 I62	H60-Q64 WeakPolarHBondContact O-CG 3.23Å; H60-Q64 PolarHBondContact O-N 3.49Å; H60-Q64 VanDerWaalsContact O-N 3.09Å; I62-Q64 VanDerWaalsContact C-N 3.35Å; I62-Q64 PolarHBondContact O-N 3.14Å
65	K	87.7	Confident	92.1	Very high	149 Å²	149	72 Å²	72	65%	0.648	33%	0.329	S	S	*	.	H	α-helix	trans	-71.2	-42.4	176.7	-67.2	177.9	-178.6	177.7	0	111.2	I62 L63 R68	I62-K65 PolarHBondContact O-N 3.49Å; L63-K65 VanDerWaalsContact C-N 3.26Å; L63-K65 PolarHBondContact O-N 3.21Å; K65-R68 WeakPolarHBondContact O-CB 3.33Å; K65-R68 PolarHBondContact O-N 3.07Å
66	R	89.4	Confident	92.1	Very high	10 Å²	10	77.2 Å²	77.2	4%	0.038	36%	0.358	C	S	.	.	H	α-helix	trans	-66.9	-38	-176.3	-70.5	162.8	59.7	-170.2	4.8	113.4	I62 L63 R68 L69 W72 Q101 E140	I62-R66 VanDerWaalsContact CG2-CD 3.46Å; I62-R66 HydrophobicContact CG2-CG 4.17Å; I62-R66 WeakPolarHBondContact O-CD 3.17Å; I62-R66 VanDerWaalsContact O-CG 3.29Å; I62-R66 WeakPolarHBondContact O-CG 3.32Å; I62-R66 PolarHBondContact O-N 2.64Å; L63-R66 PolarHBondContact O-N 3.23Å; L63-R66 VanDerWaalsContact O-N 3.15Å; R66-R68 PolarHBondContact O-N 3.28Å; R66-L69 HydrophobicContact CB-CD1 4.35Å; R66-L69 HydrophobicContact CG-CD1 4.44Å; R66-L69 VanDerWaalsContact O-CB 3.27Å; R66-L69 WeakPolarHBondContact O-CB 3.39Å; R66-L69 WeakPolarHBondContact O-CG 3.26Å; R66-L69 PolarHBondContact O-N 3.04Å; R66-W72 PolarHBondContact O-NE1 3.2Å; R66-Q101 VanDerWaalsContact CZ-OE1 3.29Å; R66-E140 VanDerWaalsContact CD-CD 3.43Å; R66-E140 WeakPolarHBondContact CD-OE2 3.36Å; R66-E140 IonicContact CZ-OE2 3.42Å; R66-E140 IonicContact NE-OE2 2.62Å; R66-E140 PolarHBondContact NE-OE2 3.4Å; R66-E140 VanDerWaalsContact NH1-CB 3.32Å; R66-E140 PolarHBondContact NH1-O 3.42Å; R66-E140 IonicContact NH1-OE2 3.82Å; R66-E140 IonicContact NH2-OE2 3.79Å; R66-E140 PolarHBondContact NH2-OE2 2.98Å
67	L	90.9	Very high	92.1	Very high	90 Å²	90	78 Å²	78	47%	0.471	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.3	177	-69.8	173.1	0	0	0	113.5	L63 W72	L63-L67 HydrophobicContact CD1-CD1 4.46Å; L63-L67 HydrophobicContact CD1-CD2 4.41Å; L63-L67 HydrophobicContact CD1-CG 4.2Å; L63-L67 HydrophobicContact CG-CD1 4.24Å; L63-L67 HydrophobicContact CG-CG 4.43Å; L63-L67 WeakPolarHBondContact O-CG 3.23Å; L63-L67 PolarHBondContact O-N 2.89Å; L67-W72 HydrophobicContact CD2-CD2 3.76Å; L67-W72 HydrophobicContact CD2-CE3 3.58Å; L67-W72 HydrophobicContact CD2-CH2 3.65Å; L67-W72 HydrophobicContact CD2-CZ2 3.84Å; L67-W72 HydrophobicContact CD2-CZ3 3.5Å; L67-W72 VanDerWaalsContact CD2-CZ3 3.5Å
68	R	89.3	Confident	92.2	Very high	186 Å²	186	73.1 Å²	73.1	70%	0.702	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-6.4	177.3	-56.6	178.5	-173.7	-177.8	-0	113.6	K65 R66 R247	K65-R68 WeakPolarHBondContact O-CB 3.33Å; K65-R68 PolarHBondContact O-N 3.07Å; R66-R68 PolarHBondContact O-N 3.28Å; R68-R247 PolarHBondContact O-NH1 2.83Å
69	L	87.9	Confident	92.4	Very high	44 Å²	44	69.4 Å²	69.4	23%	0.23	32%	0.323	C	S	.	.	S	Bend	trans	-68.2	143.6	179.6	-68	170	0	0	0	110.4	R66 V71 W72 Q101	R66-L69 HydrophobicContact CB-CD1 4.35Å; R66-L69 HydrophobicContact CG-CD1 4.44Å; R66-L69 VanDerWaalsContact O-CB 3.27Å; R66-L69 WeakPolarHBondContact O-CB 3.39Å; R66-L69 WeakPolarHBondContact O-CG 3.26Å; R66-L69 PolarHBondContact O-N 3.04Å; L69-V71 HydrophobicContact CB-CG2 4.14Å; L69-V71 PolarHBondContact O-N 3.32Å; L69-V71 VanDerWaalsContact O-N 3.1Å; L69-W72 PolarHBondContact O-N 3.38Å; L69-Q101 HydrophobicContact CD1-CG 3.91Å
70	P	90	Very high	92.5	Very high	12 Å²	12	71.7 Å²	71.7	8%	0.078	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-50.7	-38.9	-178.1	-28.5	33.1	0	0	0	114.5	W72 E73 Y74 S96 I244 R247	P70-W72 PolarHBondContact O-N 3Å; P70-E73 PolarHBondContact O-N 3.31Å; P70-Y74 WeakPolarHBondContact O-CD2 3.29Å; P70-S96 WeakPolarHBondContact CD-O 3.39Å; P70-I244 HydrophobicContact CB-CG2 3.91Å; P70-R247 HydrophobicContact CG-CB 4.09Å; P70-R247 HydrophobicContact CG-CG 3.88Å
71	V	92.8	Very high	92.6	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-57.7	-32.6	-179.1	-67.3	0	0	0	0	113.2	L69 E73 Y74 S96 K98 Q101 W105 I244	L69-V71 HydrophobicContact CB-CG2 4.14Å; L69-V71 PolarHBondContact O-N 3.32Å; L69-V71 VanDerWaalsContact O-N 3.1Å; V71-E73 VanDerWaalsContact C-N 3.25Å; V71-E73 PolarHBondContact O-N 3.01Å; V71-Y74 PolarHBondContact O-N 2.99Å; V71-S96 WeakPolarHBondContact CG1-O 3.45Å; V71-S96 WeakPolarHBondContact CG2-O 3.26Å; V71-S96 PolarHBondContact N-O 3.32Å; V71-K98 HydrophobicContact CG1-CG 4.5Å; V71-Q101 HydrophobicContact CG2-CB 3.83Å; V71-Q101 HydrophobicContact CG2-CG 3.68Å; V71-W105 HydrophobicContact CB-CH2 3.99Å; V71-W105 HydrophobicContact CG2-CH2 4.09Å; V71-W105 HydrophobicContact CG2-CZ2 4.46Å; V71-W105 WeakPolarHBondContact O-CH2 3.22Å; V71-I244 HydrophobicContact CB-CD1 4.07Å; V71-I244 HydrophobicContact CG1-CD1 3.39Å; V71-I244 HydrophobicContact CG1-CG2 4.36Å
72	W	93.1	Very high	92.8	Very high	46 Å²	46	64.4 Å²	64.4	17%	0.174	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-65	-28.2	-173.8	-89.9	89.9	0	0	0	113.4	R66 L67 L69 P70 Y74 R75 Q101 W105	R66-W72 PolarHBondContact O-NE1 3.2Å; L67-W72 HydrophobicContact CD2-CD2 3.76Å; L67-W72 HydrophobicContact CD2-CE3 3.58Å; L67-W72 HydrophobicContact CD2-CH2 3.65Å; L67-W72 HydrophobicContact CD2-CZ2 3.84Å; L67-W72 HydrophobicContact CD2-CZ3 3.5Å; L67-W72 VanDerWaalsContact CD2-CZ3 3.5Å; L69-W72 PolarHBondContact O-N 3.38Å; P70-W72 PolarHBondContact O-N 3Å; W72-Y74 PolarHBondContact O-N 3.25Å; W72-R75 VanDerWaalsContact CZ3-NH1 3.32Å; W72-R75 PolarHBondContact O-N 3.26Å; W72-Q101 VanDerWaalsContact NE1-OE1 3.16Å; W72-W105 AromaticContact CD2-CZ2 3.99Å; W72-W105 HydrophobicContact CD2-CZ2 3.99Å; W72-W105 HydrophobicContact CE3-CZ2 4.4Å; W72-W105 HydrophobicContact CG-CZ2 4.19Å; W72-W105 AromaticContact CZ2-NE1 3.94Å
73	E	93.4	Very high	92.9	Very high	125 Å²	125	67.6 Å²	67.6	58%	0.584	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-66.6	-19.3	175.5	-60.8	-175.2	163.2	0	0	112.4	P70 V71 R247	P70-E73 PolarHBondContact O-N 3.31Å; V71-E73 VanDerWaalsContact C-N 3.25Å; V71-E73 PolarHBondContact O-N 3.01Å; E73-R247 IonicContact OE1-CZ 3.31Å; E73-R247 IonicContact OE1-NH2 3.96Å; E73-R247 PolarHBondContact OE1-NH2 2.84Å; E73-R247 IonicContact OE2-NH2 2.9Å; E73-R247 PolarHBondContact OE2-NH2 2.83Å
74	Y	95	Very high	93	Very high	65 Å²	65	75.5 Å²	75.5	26%	0.255	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-109	11.2	-177.2	-63.7	-94	0	0	0	112.6	P70 V71 W72 D76 V77 F78 L242 I244 P245	P70-Y74 WeakPolarHBondContact O-CD2 3.29Å; V71-Y74 PolarHBondContact O-N 2.99Å; W72-Y74 PolarHBondContact O-N 3.25Å; Y74-D76 VanDerWaalsContact C-N 3.32Å; Y74-D76 PolarHBondContact O-N 3.35Å; Y74-V77 PolarHBondContact O-N 3.18Å; Y74-F78 VanDerWaalsContact O-CB 3.27Å; Y74-F78 WeakPolarHBondContact O-CB 3.39Å; Y74-F78 PolarHBondContact O-N 3.21Å; Y74-L242 HydrophobicContact CD1-CD1 4.13Å; Y74-I244 HydrophobicContact CD2-CG2 4.16Å; Y74-I244 HydrophobicContact CE2-CG2 4.36Å; Y74-P245 HydrophobicContact CE2-CG 4.23Å; Y74-P245 VanDerWaalsContact OH-CD 3.22Å; Y74-P245 WeakPolarHBondContact OH-CD 3.32Å; Y74-P245 VanDerWaalsContact OH-CG 3.27Å; Y74-P245 WeakPolarHBondContact OH-CG 3.18Å
75	R	94.8	Very high	93.3	Very high	81 Å²	81	71.9 Å²	71.9	31%	0.306	33%	0.332	S	S	.	.	H	α-helix	trans	-58	-43	-177	-175.3	179.4	-176.5	-170.5	5	112.5	W72 T79 W105 D108	W72-R75 VanDerWaalsContact CZ3-NH1 3.32Å; W72-R75 PolarHBondContact O-N 3.26Å; R75-T79 WeakPolarHBondContact O-CB 3.27Å; R75-T79 PolarHBondContact O-N 3.26Å; R75-T79 PolarHBondContact O-OG1 2.58Å; R75-W105 HydrophobicContact CB-CH2 3.93Å; R75-W105 HydrophobicContact CB-CZ2 4.06Å; R75-W105 HydrophobicContact CB-CZ3 4.24Å; R75-W105 HydrophobicContact CG-CD2 4.06Å; R75-W105 HydrophobicContact CG-CE3 4.25Å; R75-W105 HydrophobicContact CG-CH2 4.22Å; R75-W105 HydrophobicContact CG-CZ2 4.02Å; R75-W105 HydrophobicContact CG-CZ3 4.31Å; R75-D108 IonicContact NH2-OD2 3.83Å; R75-D108 PolarHBondContact NH2-OD2 3.49Å
76	D	94.4	Very high	93.7	Very high	127 Å²	127	67.7 Å²	67.7	68%	0.679	32%	0.315	S	S	*	.	H	α-helix	trans	-69.9	-44.9	-178.4	-61.3	-26.1	0	0	0	110.7	Y74 F78 T79 D80	Y74-D76 VanDerWaalsContact C-N 3.32Å; Y74-D76 PolarHBondContact O-N 3.35Å; D76-F78 VanDerWaalsContact C-N 3.33Å; D76-F78 PolarHBondContact O-N 3.03Å; D76-T79 PolarHBondContact O-N 2.89Å; D76-T79 VanDerWaalsContact O-N 3.14Å; D76-D80 PolarHBondContact O-N 3.17Å
77	V	96.2	Very high	94	Very high	70 Å²	70	68 Å²	68	42%	0.424	32%	0.318	S	S	.	.	H	α-helix	trans	-59.8	-43.9	175.3	-177.2	0	0	0	0	111.2	Y74 T79 D80 I81 L242	Y74-V77 PolarHBondContact O-N 3.18Å; V77-T79 VanDerWaalsContact C-N 3.35Å; V77-T79 PolarHBondContact O-N 2.77Å; V77-D80 PolarHBondContact O-N 2.64Å; V77-I81 HydrophobicContact CG1-CD1 4.08Å; V77-I81 WeakPolarHBondContact O-CG1 3.39Å; V77-I81 PolarHBondContact O-N 3.47Å; V77-L242 HydrophobicContact CG1-CD1 3.86Å
78	F	96.9	Very high	94.3	Very high	1 Å²	1	63.8 Å²	63.8	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-46.6	174.6	170.8	-90.2	0	0	0	111.6	Y74 D76 D80 I81 L82 F88 L90 I102 W105 I221 L242	Y74-F78 VanDerWaalsContact O-CB 3.27Å; Y74-F78 WeakPolarHBondContact O-CB 3.39Å; Y74-F78 PolarHBondContact O-N 3.21Å; D76-F78 VanDerWaalsContact C-N 3.33Å; D76-F78 PolarHBondContact O-N 3.03Å; F78-D80 VanDerWaalsContact C-N 3.35Å; F78-D80 PolarHBondContact O-N 2.79Å; F78-I81 PolarHBondContact O-N 3Å; F78-L82 HydrophobicContact CE1-CB 4.41Å; F78-L82 HydrophobicContact CE1-CD2 3.72Å; F78-L82 HydrophobicContact CZ-CD2 4.02Å; F78-L82 WeakPolarHBondContact O-CB 3.37Å; F78-L82 PolarHBondContact O-N 3.14Å; F78-F88 HydrophobicContact CD2-CE2 4Å; F78-F88 AromaticContact CD2-CZ 3.91Å; F78-F88 HydrophobicContact CD2-CZ 3.91Å; F78-F88 AromaticContact CE2-CE2 3.85Å; F78-F88 HydrophobicContact CE2-CE2 3.85Å; F78-F88 AromaticContact CE2-CZ 3.45Å; F78-F88 HydrophobicContact CE2-CZ 3.45Å; F78-F88 VanDerWaalsContact CE2-CZ 3.45Å; F78-F88 HydrophobicContact CZ-CZ 4.1Å; F78-L90 HydrophobicContact CD2-CD1 3.89Å; F78-L90 HydrophobicContact CE2-CD1 4.06Å; F78-I102 HydrophobicContact CD2-CD1 3.87Å; F78-I102 HydrophobicContact CE2-CD1 3.83Å; F78-I102 HydrophobicContact CE2-CG2 3.58Å; F78-I102 HydrophobicContact CG-CD1 4.41Å; F78-I102 HydrophobicContact CZ-CD1 4.37Å; F78-I102 HydrophobicContact CZ-CG2 3.61Å; F78-W105 HydrophobicContact CB-CE3 4.46Å; F78-W105 HydrophobicContact CB-CZ3 4.28Å; F78-W105 AromaticContact CD1-CE3 3.59Å; F78-W105 HydrophobicContact CD1-CE3 3.59Å; F78-W105 HydrophobicContact CD1-CZ3 4.23Å; F78-W105 HydrophobicContact CE1-CB 4.06Å; F78-W105 AromaticContact CE1-CE3 3.95Å; F78-W105 HydrophobicContact CE1-CE3 3.95Å; F78-W105 AromaticContact CG-CE3 3.97Å; F78-W105 HydrophobicContact CG-CE3 3.97Å; F78-W105 HydrophobicContact CG-CZ3 4.16Å; F78-I221 HydrophobicContact CE2-CD1 4.04Å; F78-I221 HydrophobicContact CZ-CD1 3.85Å; F78-L242 HydrophobicContact CB-CD2 3.87Å; F78-L242 HydrophobicContact CD2-CD2 4.11Å
79	T	94.8	Very high	94.7	Very high	57 Å²	57	55 Å²	55	35%	0.35	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-43.1	-178.8	-55.8	0	0	0	0	110.8	R75 D76 V77 I81 L82 M83	R75-T79 WeakPolarHBondContact O-CB 3.27Å; R75-T79 PolarHBondContact O-N 3.26Å; R75-T79 PolarHBondContact O-OG1 2.58Å; D76-T79 PolarHBondContact O-N 2.89Å; D76-T79 VanDerWaalsContact O-N 3.14Å; V77-T79 VanDerWaalsContact C-N 3.35Å; V77-T79 PolarHBondContact O-N 2.77Å; T79-I81 PolarHBondContact O-N 2.98Å; T79-L82 PolarHBondContact O-N 2.79Å; T79-M83 HydrophobicContact CG2-CG 4.45Å; T79-M83 WeakPolarHBondContact O-CB 3.5Å; T79-M83 VanDerWaalsContact O-CG 3.26Å; T79-M83 WeakPolarHBondContact O-CG 3.39Å; T79-M83 PolarHBondContact O-N 3.24Å
80	D	96	Very high	95.1	Very high	87 Å²	87	52.9 Å²	52.9	47%	0.465	25%	0.252	S	S	.	.	H	α-helix	trans	-60.3	-44.4	175.8	-81.8	-10.9	0	0	0	112.3	D76 V77 F78 R84	D76-D80 PolarHBondContact O-N 3.17Å; V77-D80 PolarHBondContact O-N 2.64Å; F78-D80 VanDerWaalsContact C-N 3.35Å; F78-D80 PolarHBondContact O-N 2.79Å; D80-R84 WeakPolarHBondContact O-CB 3.45Å; D80-R84 WeakPolarHBondContact O-CG 3.05Å; D80-R84 PolarHBondContact O-N 2.62Å
81	I	96.9	Very high	95.2	Very high	25 Å²	25	53 Å²	53	13%	0.128	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-47.7	177.6	-67	170.3	0	0	0	110.4	V77 F78 T79 M83 R84 N85 F88 P240 L242	V77-I81 HydrophobicContact CG1-CD1 4.08Å; V77-I81 WeakPolarHBondContact O-CG1 3.39Å; V77-I81 PolarHBondContact O-N 3.47Å; F78-I81 PolarHBondContact O-N 3Å; T79-I81 PolarHBondContact O-N 2.98Å; I81-M83 VanDerWaalsContact C-N 3.3Å; I81-M83 PolarHBondContact O-N 3.42Å; I81-R84 PolarHBondContact O-N 3.43Å; I81-N85 WeakPolarHBondContact O-CB 3.45Å; I81-N85 PolarHBondContact O-N 3.27Å; I81-N85 PolarHBondContact O-ND2 2.68Å; I81-F88 HydrophobicContact CG2-CB 3.82Å; I81-F88 HydrophobicContact CG2-CD1 3.77Å; I81-F88 HydrophobicContact CG2-CD2 3.74Å; I81-F88 HydrophobicContact CG2-CE1 4.21Å; I81-F88 HydrophobicContact CG2-CE2 4.18Å; I81-F88 HydrophobicContact CG2-CG 3.51Å; I81-F88 HydrophobicContact CG2-CZ 4.39Å; I81-P240 HydrophobicContact CG2-CB 4.22Å; I81-L242 HydrophobicContact CD1-CB 4.04Å; I81-L242 HydrophobicContact CD1-CD1 4.35Å
82	L	94.9	Very high	95	Very high	3 Å²	3	53 Å²	53	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-39.5	-178.5	178.5	63.1	0	0	0	112.1	F78 T79 N85 F88 M109 K219 I221	F78-L82 HydrophobicContact CE1-CB 4.41Å; F78-L82 HydrophobicContact CE1-CD2 3.72Å; F78-L82 HydrophobicContact CZ-CD2 4.02Å; F78-L82 WeakPolarHBondContact O-CB 3.37Å; F78-L82 PolarHBondContact O-N 3.14Å; T79-L82 PolarHBondContact O-N 2.79Å; L82-N85 VanDerWaalsContact O-O 3.13Å; L82-F88 HydrophobicContact CB-CE1 4.11Å; L82-F88 HydrophobicContact CB-CZ 4.37Å; L82-F88 HydrophobicContact CD1-CE1 3.85Å; L82-F88 HydrophobicContact CD1-CZ 4.45Å; L82-M109 HydrophobicContact CD1-SD 4.19Å; L82-M109 HydrophobicContact CD2-CB 4.36Å; L82-M109 HydrophobicContact CD2-CE 4.21Å; L82-M109 HydrophobicContact CD2-CG 4.41Å; L82-M109 HydrophobicContact CD2-SD 3.44Å; L82-M109 WeakPolarHBondContact CD2-SD 3.27Å; L82-M109 HydrophobicContact CG-CE 4.44Å; L82-M109 HydrophobicContact CG-SD 3.55Å; L82-M109 VanDerWaalsContact CG-SD 3.55Å; L82-K219 HydrophobicContact CD1-CB 3.98Å; L82-K219 HydrophobicContact CD1-CD 4.43Å; L82-K219 HydrophobicContact CD1-CG 3.99Å; L82-K219 VanDerWaalsContact O-CE 3.23Å; L82-K219 WeakPolarHBondContact O-CE 3.39Å; L82-K219 PolarHBondContact O-NZ 3.31Å; L82-I221 HydrophobicContact CD1-CD1 4.14Å
83	M	92.1	Very high	94.3	Very high	82 Å²	82	54.4 Å²	54.4	40%	0.404	26%	0.262	S	S	.	.	H	α-helix	trans	-70.1	-39.5	179.1	-70.2	-62	-72.7	0	0	112.2	T79 I81 M109 K219	T79-M83 HydrophobicContact CG2-CG 4.45Å; T79-M83 WeakPolarHBondContact O-CB 3.5Å; T79-M83 VanDerWaalsContact O-CG 3.26Å; T79-M83 WeakPolarHBondContact O-CG 3.39Å; T79-M83 PolarHBondContact O-N 3.24Å; I81-M83 VanDerWaalsContact C-N 3.3Å; I81-M83 PolarHBondContact O-N 3.42Å; M83-M109 HydrophobicContact SD-CG 4.22Å; M83-M109 HydrophobicContact SD-SD 4.22Å; M83-K219 PolarHBondContact O-NZ 2.72Å
84	R	95.4	Very high	93.5	Very high	198 Å²	198	49.3 Å²	49.3	75%	0.747	24%	0.239	S	C	*	.	H	α-helix	trans	-87.4	-21	-173.3	-66.6	178.2	-172.3	178.3	7.6	114.8	D80 I81	D80-R84 WeakPolarHBondContact O-CB 3.45Å; D80-R84 WeakPolarHBondContact O-CG 3.05Å; D80-R84 PolarHBondContact O-N 2.62Å; I81-R84 PolarHBondContact O-N 3.43Å
85	N	96.6	Very high	92.6	Very high	51 Å²	51	48.2 Å²	48.2	27%	0.273	25%	0.248	S	C	.	.			trans	-123.1	146.6	-172.4	-55.6	-83.6	0	0	0	110.7	I81 L82 K219 P240	I81-N85 WeakPolarHBondContact O-CB 3.45Å; I81-N85 PolarHBondContact O-N 3.27Å; I81-N85 PolarHBondContact O-ND2 2.68Å; L82-N85 VanDerWaalsContact O-O 3.13Å; N85-K219 WeakPolarHBondContact O-CD 3.25Å; N85-K219 PolarHBondContact O-NZ 2.89Å; N85-P240 HydrophobicContact CB-CG 4.24Å; N85-P240 WeakPolarHBondContact OD1-CG 3.45Å
86	Q	96.4	Very high	92.1	Very high	61 Å²	61	44.5 Å²	44.5	29%	0.285	23%	0.234	S	C	.	.	S	Bend	trans	-79.4	-42.2	176.6	-165.5	-179.7	11.7	0	0	111.4	V212 R215 L218 K219 V220	Q86-V212 HydrophobicContact CG-CB 4.46Å; Q86-V212 HydrophobicContact CG-CG1 4.48Å; Q86-V212 PolarHBondContact NE2-O 3.18Å; Q86-R215 PolarHBondContact NE2-O 2.85Å; Q86-L218 WeakPolarHBondContact CG-O 3.48Å; Q86-K219 CarbonylContact O-C 3.57Å; Q86-K219 VanDerWaalsContact O-CA 3.27Å; Q86-K219 WeakPolarHBondContact O-CA 3.44Å; Q86-V220 PolarHBondContact O-N 2.91Å
87	S	97.2	Very high	91.8	Very high	16 Å²	16	38.8 Å²	38.8	11%	0.112	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146	178.1	-54.6	0	0	0	0	110.4	V220 C239	S87-V220 VanDerWaalsContact CA-O 3.23Å; S87-V220 WeakPolarHBondContact CA-O 3.39Å; S87-C239 WeakPolarHBondContact O-CB 3.19Å
88	F	97	Very high	91.6	Very high	3 Å²	3	35.8 Å²	35.8	1%	0.013	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	161.8	169.5	66.5	-82.3	0	0	0	111.6	F78 I81 L82 L90 V220 I221 V222 P240	F78-F88 HydrophobicContact CD2-CE2 4Å; F78-F88 AromaticContact CD2-CZ 3.91Å; F78-F88 HydrophobicContact CD2-CZ 3.91Å; F78-F88 AromaticContact CE2-CE2 3.85Å; F78-F88 HydrophobicContact CE2-CE2 3.85Å; F78-F88 AromaticContact CE2-CZ 3.45Å; F78-F88 HydrophobicContact CE2-CZ 3.45Å; F78-F88 VanDerWaalsContact CE2-CZ 3.45Å; F78-F88 HydrophobicContact CZ-CZ 4.1Å; I81-F88 HydrophobicContact CG2-CB 3.82Å; I81-F88 HydrophobicContact CG2-CD1 3.77Å; I81-F88 HydrophobicContact CG2-CD2 3.74Å; I81-F88 HydrophobicContact CG2-CE1 4.21Å; I81-F88 HydrophobicContact CG2-CE2 4.18Å; I81-F88 HydrophobicContact CG2-CG 3.51Å; I81-F88 HydrophobicContact CG2-CZ 4.39Å; L82-F88 HydrophobicContact CB-CE1 4.11Å; L82-F88 HydrophobicContact CB-CZ 4.37Å; L82-F88 HydrophobicContact CD1-CE1 3.85Å; L82-F88 HydrophobicContact CD1-CZ 4.45Å; F88-L90 HydrophobicContact CE2-CB 4.44Å; F88-V220 PolarHBondContact N-O 3.22Å; F88-I221 HydrophobicContact CD1-CG1 4.44Å; F88-I221 HydrophobicContact CD2-CG2 4.47Å; F88-I221 HydrophobicContact CE1-CD1 3.97Å; F88-I221 HydrophobicContact CE1-CG1 3.71Å; F88-I221 HydrophobicContact CE1-CG2 4.47Å; F88-I221 HydrophobicContact CE2-CG2 3.93Å; F88-I221 HydrophobicContact CZ-CB 4.47Å; F88-I221 HydrophobicContact CZ-CD1 3.73Å; F88-I221 HydrophobicContact CZ-CG1 3.81Å; F88-I221 HydrophobicContact CZ-CG2 3.94Å; F88-V222 PolarHBondContact O-N 2.88Å; F88-P240 HydrophobicContact CB-CB 4.21Å; F88-P240 WeakPolarHBondContact CB-O 3.32Å
89	V	96.9	Very high	91.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.1	177.1	-178.5	0	0	0	0	109.6	V91 V222 F232 Q233 P240 L241 L242	V89-V91 HydrophobicContact CG1-CG2 4.09Å; V89-V222 CarbonylContact C-O 3.48Å; V89-V222 WeakPolarHBondContact CA-O 3.37Å; V89-V222 HydrophobicContact CG2-CB 4.38Å; V89-F232 HydrophobicContact CG1-CB 4.32Å; V89-F232 HydrophobicContact CG2-CB 3.68Å; V89-Q233 HydrophobicContact CB-CG 4.19Å; V89-Q233 HydrophobicContact CG2-CG 3.92Å; V89-P240 PolarHBondContact N-O 2.92Å; V89-L241 HydrophobicContact CB-CD1 4.04Å; V89-L241 HydrophobicContact CG1-CD1 3.83Å; V89-L241 WeakPolarHBondContact O-CA 3.36Å; V89-L242 PolarHBondContact O-N 2.82Å
90	L	95.5	Very high	91.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.9	173	-173.8	159.5	0	0	0	109.5	F78 F88 K98 I102 I221 V222 M223 S224 L242 I244	F78-L90 HydrophobicContact CD2-CD1 3.89Å; F78-L90 HydrophobicContact CE2-CD1 4.06Å; F88-L90 HydrophobicContact CE2-CB 4.44Å; L90-K98 HydrophobicContact CD2-CB 4.43Å; L90-K98 HydrophobicContact CD2-CD 3.44Å; L90-K98 VanDerWaalsContact CD2-CD 3.44Å; L90-K98 HydrophobicContact CD2-CG 3.74Å; L90-I102 HydrophobicContact CD1-CD1 3.55Å; L90-I102 HydrophobicContact CD1-CG1 3.94Å; L90-I221 HydrophobicContact CB-CG2 4.41Å; L90-V222 PolarHBondContact N-O 3.26Å; L90-M223 HydrophobicContact CB-CG 4.21Å; L90-M223 HydrophobicContact CD2-CG 4.48Å; L90-M223 HydrophobicContact CD2-SD 4.42Å; L90-M223 CarbonylContact O-C 3.47Å; L90-M223 VanDerWaalsContact O-CA 3.27Å; L90-M223 WeakPolarHBondContact O-CA 3.42Å; L90-S224 PolarHBondContact O-N 2.88Å; L90-L242 CarbonylContact C-O 3.36Å; L90-L242 WeakPolarHBondContact CA-O 3.37Å; L90-L242 HydrophobicContact CD1-CD2 4.05Å; L90-L242 HydrophobicContact CG-CB 4.49Å; L90-L242 HydrophobicContact CG-CD2 4.39Å; L90-I244 HydrophobicContact CD1-CD1 4.27Å; L90-I244 HydrophobicContact CD2-CD1 3.86Å; L90-I244 HydrophobicContact CG-CD1 4.2Å
91	V	92.8	Very high	91.4	Very high	14 Å²	14	31.1 Å²	31.1	9%	0.085	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.5	176.6	177.8	0	0	0	0	109.1	V89 S224 A229 L241 L242 T243 I244	V89-V91 HydrophobicContact CG1-CG2 4.09Å; V91-S224 WeakPolarHBondContact CA-O 3.4Å; V91-A229 HydrophobicContact CG2-CB 3.53Å; V91-L241 HydrophobicContact CB-CD1 4.16Å; V91-L241 HydrophobicContact CG2-CD1 3.6Å; V91-L242 PolarHBondContact N-O 2.55Å; V91-T243 CarbonylContact O-C 3.39Å; V91-T243 WeakPolarHBondContact O-CA 3.33Å; V91-I244 PolarHBondContact O-N 3.11Å
92	G	88.1	Confident	91.5	Very high	2 Å²	2	30 Å²	30	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	146.4	170.9	0	0	0	0	0	109.8	K98 S224 A225	G92-K98 WeakPolarHBondContact O-CE 3.36Å; G92-K98 PolarHBondContact O-NZ 3.1Å; G92-S224 PolarHBondContact N-O 3.42Å; G92-A225 WeakPolarHBondContact O-CA 3.5Å
93	E	79.8	Confident	91.6	Very high	74 Å²	74	29.8 Å²	29.8	35%	0.346	16%	0.155	S	C	.	.			trans	-57.5	155.8	179.5	-70.2	179.4	-178.6	0	0	111.6	G95 S96 G246 T248	E93-G95 PolarHBondContact O-N 3.33Å; E93-S96 VanDerWaalsContact O-CB 3.23Å; E93-S96 WeakPolarHBondContact O-CB 3.27Å; E93-S96 PolarHBondContact O-N 2.9Å; E93-S96 VanDerWaalsContact O-N 3.15Å; E93-S96 PolarHBondContact O-OG 2.91Å; E93-G246 WeakPolarHBondContact OE2-CA 3.4Å; E93-T248 WeakPolarHBondContact OE2-CG2 3.44Å; E93-T248 PolarHBondContact OE2-OG1 3Å
94	T	75.9	Confident	91.9	Very high	18 Å²	18	26.7 Å²	26.7	11%	0.11	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	137.5	177.1	69.6	0	0	0	0	110.7	S96 A225 R404 R407	T94-S96 VanDerWaalsContact C-N 3.34Å; T94-A225 HydrophobicContact CG2-CB 3.64Å; T94-R404 VanDerWaalsContact CG2-NH2 3.29Å; T94-R404 PolarHBondContact OG1-NH2 2.87Å; T94-R407 PolarHBondContact OG1-NH2 3.15Å
95	G	75.8	Confident	92	Very high	42 Å²	42	18 Å²	18	43%	0.433	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-6.5	-173.3	0	0	0	0	0	114.7	E93 G97	E93-G95 PolarHBondContact O-N 3.33Å; G95-G97 PolarHBondContact O-N 3.21Å
96	S	85.3	Confident	92	Very high	4 Å²	4	15.5 Å²	15.5	3%	0.028	9%	0.093	C	C	.	.	S	Bend	trans	-65.5	-16.2	174.1	55.2	0	0	0	0	114.5	P70 V71 E93 T94 K98	P70-S96 WeakPolarHBondContact CD-O 3.39Å; V71-S96 WeakPolarHBondContact CG1-O 3.45Å; V71-S96 WeakPolarHBondContact CG2-O 3.26Å; V71-S96 PolarHBondContact N-O 3.32Å; E93-S96 VanDerWaalsContact O-CB 3.23Å; E93-S96 WeakPolarHBondContact O-CB 3.27Å; E93-S96 PolarHBondContact O-N 2.9Å; E93-S96 VanDerWaalsContact O-N 3.15Å; E93-S96 PolarHBondContact O-OG 2.91Å; T94-S96 VanDerWaalsContact C-N 3.34Å; S96-K98 WeakPolarHBondContact OG-CG 3.32Å
97	G	87.9	Confident	92	Very high	7 Å²	7	12.7 Å²	12.7	7%	0.072	8%	0.08	C	C	.	.	S	Bend	trans	104.1	9.2	179.6	0	0	0	0	0	115.4	G95 T100 Q101	G95-G97 PolarHBondContact O-N 3.21Å; G97-T100 PolarHBondContact O-N 3.34Å; G97-T100 PolarHBondContact O-OG1 2.68Å; G97-Q101 WeakPolarHBondContact O-CB 3.32Å; G97-Q101 WeakPolarHBondContact O-CG 3.44Å; G97-Q101 PolarHBondContact O-N 3.11Å
98	K	91.9	Very high	91.8	Very high	6 Å²	6	15.4 Å²	15.4	3%	0.026	9%	0.093	C	C	.	.	H	α-helix	trans	-50.6	-62.9	-177.6	-55.3	-169.9	-55.5	-68.1	0	112.5	V71 L90 G92 S96 T100 I102 E193 M223 S224	V71-K98 HydrophobicContact CG1-CG 4.5Å; L90-K98 HydrophobicContact CD2-CB 4.43Å; L90-K98 HydrophobicContact CD2-CD 3.44Å; L90-K98 VanDerWaalsContact CD2-CD 3.44Å; L90-K98 HydrophobicContact CD2-CG 3.74Å; G92-K98 WeakPolarHBondContact O-CE 3.36Å; G92-K98 PolarHBondContact O-NZ 3.1Å; S96-K98 WeakPolarHBondContact OG-CG 3.32Å; K98-T100 VanDerWaalsContact C-N 3.3Å; K98-T100 PolarHBondContact O-N 3.38Å; K98-I102 VanDerWaalsContact O-CB 3.22Å; K98-I102 WeakPolarHBondContact O-CB 3.33Å; K98-I102 VanDerWaalsContact O-CG1 3.22Å; K98-I102 WeakPolarHBondContact O-CG1 3.22Å; K98-I102 PolarHBondContact O-N 2.71Å; K98-I102 VanDerWaalsContact O-N 3.08Å; K98-E193 IonicContact NZ-OE1 2.86Å; K98-M223 HydrophobicContact CB-CE 4.19Å; K98-M223 HydrophobicContact CB-SD 4.01Å; K98-S224 WeakPolarHBondContact CE-O 3.47Å
99	T	93.8	Very high	91.5	Very high	20 Å²	20	16.2 Å²	16.2	12%	0.123	10%	0.097	C	C	.	.	H	α-helix	trans	-64.5	-32.4	-172.6	-40.4	0	0	0	0	113.3	P103 V133 Y167 D192	T99-P103 VanDerWaalsContact O-CD 3.32Å; T99-P103 WeakPolarHBondContact O-CD 3.34Å; T99-P103 WeakPolarHBondContact O-CG 3.34Å; T99-V133 HydrophobicContact CG2-CB 4.39Å; T99-V133 HydrophobicContact CG2-CG1 4.19Å; T99-V133 HydrophobicContact CG2-CG2 3.75Å; T99-Y167 HydrophobicContact CG2-CE1 4.14Å; T99-Y167 PolarHBondContact O-OH 2.73Å; T99-D192 WeakPolarHBondContact CB-OD2 3.44Å; T99-D192 WeakPolarHBondContact CG2-OD2 3.42Å; T99-D192 PolarHBondContact OG1-OD2 2.85Å
100	T	93.8	Very high	91.1	Very high	27 Å²	27	16.9 Å²	16.9	17%	0.166	10%	0.102	C	C	.	.	H	α-helix	trans	-86.7	-43.2	-177.9	52.2	0	0	0	0	112	G97 K98 Q104 V133 R136 V137	G97-T100 PolarHBondContact O-N 3.34Å; G97-T100 PolarHBondContact O-OG1 2.68Å; K98-T100 VanDerWaalsContact C-N 3.3Å; K98-T100 PolarHBondContact O-N 3.38Å; T100-Q104 PolarHBondContact O-NE2 3.08Å; T100-V133 HydrophobicContact CG2-CG2 3.78Å; T100-R136 HydrophobicContact CG2-CG 4.3Å; T100-V137 HydrophobicContact CG2-CG2 4.1Å
101	Q	95.8	Very high	90.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-91.5	-40.6	-169.9	-50.7	-49.2	-74.2	0	0	113.5	R66 L69 V71 W72 G97 Q104 W105 E140	R66-Q101 VanDerWaalsContact CZ-OE1 3.29Å; L69-Q101 HydrophobicContact CD1-CG 3.91Å; V71-Q101 HydrophobicContact CG2-CB 3.83Å; V71-Q101 HydrophobicContact CG2-CG 3.68Å; W72-Q101 VanDerWaalsContact NE1-OE1 3.16Å; G97-Q101 WeakPolarHBondContact O-CB 3.32Å; G97-Q101 WeakPolarHBondContact O-CG 3.44Å; G97-Q101 PolarHBondContact O-N 3.11Å; Q101-Q104 WeakPolarHBondContact O-CB 3.27Å; Q101-Q104 PolarHBondContact O-N 3.13Å; Q101-Q104 VanDerWaalsContact O-N 3.16Å; Q101-W105 HydrophobicContact CB-CH2 4.5Å; Q101-W105 HydrophobicContact CB-CZ2 4Å; Q101-W105 PolarHBondContact O-N 3.41Å; Q101-E140 PolarHBondContact NE2-OE2 3.34Å
102	I	97.6	Very high	90.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-46.1	-175	-59.3	-63.4	0	0	0	112.1	F78 L90 K98 Q104 W105 C106 I190 I221 M223	F78-I102 HydrophobicContact CD2-CD1 3.87Å; F78-I102 HydrophobicContact CE2-CD1 3.83Å; F78-I102 HydrophobicContact CE2-CG2 3.58Å; F78-I102 HydrophobicContact CG-CD1 4.41Å; F78-I102 HydrophobicContact CZ-CD1 4.37Å; F78-I102 HydrophobicContact CZ-CG2 3.61Å; L90-I102 HydrophobicContact CD1-CD1 3.55Å; L90-I102 HydrophobicContact CD1-CG1 3.94Å; K98-I102 VanDerWaalsContact O-CB 3.22Å; K98-I102 WeakPolarHBondContact O-CB 3.33Å; K98-I102 VanDerWaalsContact O-CG1 3.22Å; K98-I102 WeakPolarHBondContact O-CG1 3.22Å; K98-I102 PolarHBondContact O-N 2.71Å; K98-I102 VanDerWaalsContact O-N 3.08Å; I102-Q104 VanDerWaalsContact C-N 3.28Å; I102-Q104 PolarHBondContact O-N 3.26Å; I102-W105 HydrophobicContact CD1-CE3 3.67Å; I102-W105 HydrophobicContact CD1-CH2 4.34Å; I102-W105 HydrophobicContact CD1-CZ3 3.45Å; I102-W105 VanDerWaalsContact CD1-CZ3 3.45Å; I102-W105 PolarHBondContact O-N 2.97Å; I102-C106 PolarHBondContact O-N 3.4Å; I102-C106 PolarHBondContact O-SG 2.9Å; I102-I190 HydrophobicContact CG2-CD1 4.29Å; I102-I221 HydrophobicContact CG2-CD1 4.25Å; I102-M223 HydrophobicContact CB-SD 3.85Å; I102-M223 HydrophobicContact CG1-SD 3.88Å; I102-M223 HydrophobicContact CG2-SD 3.81Å
103	P	98.1	Very high	90.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-32	178.8	-22.2	35.2	0	0	0	113.1	T99 C106 V107 V120 C122 L165 Y167 I190	T99-P103 VanDerWaalsContact O-CD 3.32Å; T99-P103 WeakPolarHBondContact O-CD 3.34Å; T99-P103 WeakPolarHBondContact O-CG 3.34Å; P103-C106 WeakPolarHBondContact O-CB 3.32Å; P103-C106 PolarHBondContact O-N 2.93Å; P103-V107 WeakPolarHBondContact O-CG2 3.33Å; P103-V107 PolarHBondContact O-N 3.2Å; P103-V120 HydrophobicContact CB-CG1 4.34Å; P103-C122 HydrophobicContact CB-CB 4.48Å; P103-C122 HydrophobicContact CG-CB 4.09Å; P103-L165 HydrophobicContact CB-CD1 3.55Å; P103-L165 HydrophobicContact CB-CD2 4.06Å; P103-L165 HydrophobicContact CB-CG 4.49Å; P103-Y167 HydrophobicContact CG-CE1 4.15Å; P103-Y167 WeakPolarHBondContact CG-OH 3.31Å; P103-I190 HydrophobicContact CB-CD1 3.87Å; P103-I190 HydrophobicContact CG-CD1 3.74Å
104	Q	97.7	Very high	90.3	Very high	17 Å²	17	33.5 Å²	33.5	8%	0.079	18%	0.181	C	C	.	.	H	α-helix	trans	-65.9	-41.3	176.4	-67.6	179.9	64.1	0	0	111.4	T100 Q101 I102 C106 V107 D108 V137 E140 M141	T100-Q104 PolarHBondContact O-NE2 3.08Å; Q101-Q104 WeakPolarHBondContact O-CB 3.27Å; Q101-Q104 PolarHBondContact O-N 3.13Å; Q101-Q104 VanDerWaalsContact O-N 3.16Å; I102-Q104 VanDerWaalsContact C-N 3.28Å; I102-Q104 PolarHBondContact O-N 3.26Å; Q104-C106 VanDerWaalsContact C-N 3.29Å; Q104-C106 PolarHBondContact O-N 3.2Å; Q104-V107 WeakPolarHBondContact O-CB 3.06Å; Q104-V107 PolarHBondContact O-N 3.44Å; Q104-V107 VanDerWaalsContact O-N 3.17Å; Q104-D108 PolarHBondContact O-N 3.27Å; Q104-V137 HydrophobicContact CG-CG1 3.9Å; Q104-E140 PolarHBondContact NE2-OE2 3.37Å; Q104-M141 HydrophobicContact CG-CG 4Å; Q104-M141 HydrophobicContact CG-SD 3.87Å
105	W	97.2	Very high	90.3	Very high	14 Å²	14	35.5 Å²	35.5	5%	0.053	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-34.6	174.6	-56.5	-19	0	0	0	112.2	V71 W72 R75 F78 Q101 I102 V107 D108 M109	V71-W105 HydrophobicContact CB-CH2 3.99Å; V71-W105 HydrophobicContact CG2-CH2 4.09Å; V71-W105 HydrophobicContact CG2-CZ2 4.46Å; V71-W105 WeakPolarHBondContact O-CH2 3.22Å; W72-W105 AromaticContact CD2-CZ2 3.99Å; W72-W105 HydrophobicContact CD2-CZ2 3.99Å; W72-W105 HydrophobicContact CE3-CZ2 4.4Å; W72-W105 HydrophobicContact CG-CZ2 4.19Å; W72-W105 AromaticContact CZ2-NE1 3.94Å; R75-W105 HydrophobicContact CB-CH2 3.93Å; R75-W105 HydrophobicContact CB-CZ2 4.06Å; R75-W105 HydrophobicContact CB-CZ3 4.24Å; R75-W105 HydrophobicContact CG-CD2 4.06Å; R75-W105 HydrophobicContact CG-CE3 4.25Å; R75-W105 HydrophobicContact CG-CH2 4.22Å; R75-W105 HydrophobicContact CG-CZ2 4.02Å; R75-W105 HydrophobicContact CG-CZ3 4.31Å; F78-W105 HydrophobicContact CB-CE3 4.46Å; F78-W105 HydrophobicContact CB-CZ3 4.28Å; F78-W105 AromaticContact CD1-CE3 3.59Å; F78-W105 HydrophobicContact CD1-CE3 3.59Å; F78-W105 HydrophobicContact CD1-CZ3 4.23Å; F78-W105 HydrophobicContact CE1-CB 4.06Å; F78-W105 AromaticContact CE1-CE3 3.95Å; F78-W105 HydrophobicContact CE1-CE3 3.95Å; F78-W105 AromaticContact CG-CE3 3.97Å; F78-W105 HydrophobicContact CG-CE3 3.97Å; F78-W105 HydrophobicContact CG-CZ3 4.16Å; Q101-W105 HydrophobicContact CB-CH2 4.5Å; Q101-W105 HydrophobicContact CB-CZ2 4Å; Q101-W105 PolarHBondContact O-N 3.41Å; I102-W105 HydrophobicContact CD1-CE3 3.67Å; I102-W105 HydrophobicContact CD1-CH2 4.34Å; I102-W105 HydrophobicContact CD1-CZ3 3.45Å; I102-W105 VanDerWaalsContact CD1-CZ3 3.45Å; I102-W105 PolarHBondContact O-N 2.97Å; W105-V107 VanDerWaalsContact C-N 3.33Å; W105-D108 PolarHBondContact O-N 3.07Å; W105-M109 PolarHBondContact O-N 2.77Å; W105-M109 VanDerWaalsContact O-N 3.08Å
106	C	97.2	Very high	90.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-37.7	172.8	-62.6	0	0	0	0	111.7	I102 P103 Q104 M109 V110 V120 V188 I190 I221	I102-C106 PolarHBondContact O-N 3.4Å; I102-C106 PolarHBondContact O-SG 2.9Å; P103-C106 WeakPolarHBondContact O-CB 3.32Å; P103-C106 PolarHBondContact O-N 2.93Å; Q104-C106 VanDerWaalsContact C-N 3.29Å; Q104-C106 PolarHBondContact O-N 3.2Å; C106-M109 PolarHBondContact O-N 2.82Å; C106-V110 WeakPolarHBondContact O-CG2 3.41Å; C106-V110 PolarHBondContact O-N 2.81Å; C106-V120 HydrophobicContact CB-CG1 4.01Å; C106-V120 HydrophobicContact CB-CG2 3.87Å; C106-V188 HydrophobicContact CB-CB 4.25Å; C106-V188 HydrophobicContact CB-CG1 4.1Å; C106-V188 HydrophobicContact CB-CG2 4.16Å; C106-I190 HydrophobicContact CB-CD1 4.5Å; C106-I221 VanDerWaalsContact SG-CD1 3.59Å
107	V	96.3	Very high	90.3	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-45.5	174	170.9	0	0	0	0	110.6	F50 P103 Q104 W105 M109 V110 R111 V120 M141 V164 L165	F50-V107 HydrophobicContact CZ-CG1 3.95Å; P103-V107 WeakPolarHBondContact O-CG2 3.33Å; P103-V107 PolarHBondContact O-N 3.2Å; Q104-V107 WeakPolarHBondContact O-CB 3.06Å; Q104-V107 PolarHBondContact O-N 3.44Å; Q104-V107 VanDerWaalsContact O-N 3.17Å; W105-V107 VanDerWaalsContact C-N 3.33Å; V107-M109 VanDerWaalsContact C-N 3.29Å; V107-M109 PolarHBondContact O-N 2.54Å; V107-V110 PolarHBondContact O-N 3.32Å; V107-R111 HydrophobicContact CG1-CG 4.28Å; V107-R111 WeakPolarHBondContact O-CB 3.39Å; V107-R111 VanDerWaalsContact O-CG 3.26Å; V107-R111 WeakPolarHBondContact O-CG 3.38Å; V107-R111 PolarHBondContact O-N 3.37Å; V107-V120 HydrophobicContact CG2-CB 4.18Å; V107-V120 HydrophobicContact CG2-CG2 3.78Å; V107-M141 HydrophobicContact CG1-CE 4.25Å; V107-V164 HydrophobicContact CG1-CG2 4.12Å; V107-L165 HydrophobicContact CG2-CB 3.81Å; V107-L165 HydrophobicContact CG2-CD1 4.47Å; V107-L165 HydrophobicContact CG2-CD2 4.34Å; V107-L165 HydrophobicContact CG2-CG 4.43Å
108	D	92.6	Very high	90.5	Very high	73 Å²	73	53.1 Å²	53.1	39%	0.39	27%	0.269	S	S	.	.	H	α-helix	trans	-57.1	-44.4	176.8	-69.7	-19.3	0	0	0	111.2	R75 Q104 W105 S112	R75-D108 IonicContact NH2-OD2 3.83Å; R75-D108 PolarHBondContact NH2-OD2 3.49Å; Q104-D108 PolarHBondContact O-N 3.27Å; W105-D108 PolarHBondContact O-N 3.07Å; D108-S112 PolarHBondContact O-N 2.83Å
109	M	90.8	Very high	90.7	Very high	19 Å²	19	53.1 Å²	53.1	9%	0.094	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-55.1	175.7	-176.1	-158.8	67.4	0	0	111.5	L82 M83 W105 C106 V107 R111 S112 L113 V188 K219	L82-M109 HydrophobicContact CD1-SD 4.19Å; L82-M109 HydrophobicContact CD2-CB 4.36Å; L82-M109 HydrophobicContact CD2-CE 4.21Å; L82-M109 HydrophobicContact CD2-CG 4.41Å; L82-M109 HydrophobicContact CD2-SD 3.44Å; L82-M109 WeakPolarHBondContact CD2-SD 3.27Å; L82-M109 HydrophobicContact CG-CE 4.44Å; L82-M109 HydrophobicContact CG-SD 3.55Å; L82-M109 VanDerWaalsContact CG-SD 3.55Å; M83-M109 HydrophobicContact SD-CG 4.22Å; M83-M109 HydrophobicContact SD-SD 4.22Å; W105-M109 PolarHBondContact O-N 2.77Å; W105-M109 VanDerWaalsContact O-N 3.08Å; C106-M109 PolarHBondContact O-N 2.82Å; V107-M109 VanDerWaalsContact C-N 3.29Å; V107-M109 PolarHBondContact O-N 2.54Å; M109-R111 PolarHBondContact O-N 3.24Å; M109-S112 WeakPolarHBondContact O-CA 3.41Å; M109-S112 WeakPolarHBondContact O-CB 3.41Å; M109-S112 PolarHBondContact O-N 3.25Å; M109-S112 PolarHBondContact O-OG 2.93Å; M109-L113 PolarHBondContact O-N 3.01Å; M109-V188 HydrophobicContact CE-CG2 3.36Å; M109-K219 HydrophobicContact CE-CG 4.25Å
110	V	89.1	Confident	90.9	Very high	15 Å²	15	52.2 Å²	52.2	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-34.3	-176	174.5	0	0	0	0	111.5	C106 V107 S112 L113 R118 V120 V188	C106-V110 WeakPolarHBondContact O-CG2 3.41Å; C106-V110 PolarHBondContact O-N 2.81Å; V107-V110 PolarHBondContact O-N 3.32Å; V110-S112 VanDerWaalsContact C-N 3.33Å; V110-L113 PolarHBondContact O-N 3.05Å; V110-R118 HydrophobicContact CG1-CB 4.03Å; V110-R118 WeakPolarHBondContact CG1-O 3.34Å; V110-V120 HydrophobicContact CG2-CG2 4.1Å; V110-V188 HydrophobicContact CG2-CG2 3.62Å
111	R	88.4	Confident	91.1	Very high	112 Å²	112	50.9 Å²	50.9	42%	0.423	26%	0.257	S	S	.	.	H	α-helix	trans	-69.8	-28	174.4	-72.3	-178.1	71	-168.6	7.1	113.9	P49 V107 M109 L113	P49-R111 VanDerWaalsContact CG-NH1 3.26Å; P49-R111 PolarHBondContact O-NH2 2.94Å; V107-R111 HydrophobicContact CG1-CG 4.28Å; V107-R111 WeakPolarHBondContact O-CB 3.39Å; V107-R111 VanDerWaalsContact O-CG 3.26Å; V107-R111 WeakPolarHBondContact O-CG 3.38Å; V107-R111 PolarHBondContact O-N 3.37Å; M109-R111 PolarHBondContact O-N 3.24Å; R111-L113 VanDerWaalsContact C-N 3.32Å
112	S	86.9	Confident	91.2	Very high	53 Å²	53	50.9 Å²	50.9	37%	0.371	26%	0.257	S	S	.	.	H	α-helix	trans	-78.3	-18.2	177.7	75.8	0	0	0	0	113.2	D108 M109 V110	D108-S112 PolarHBondContact O-N 2.83Å; M109-S112 WeakPolarHBondContact O-CA 3.41Å; M109-S112 WeakPolarHBondContact O-CB 3.41Å; M109-S112 PolarHBondContact O-N 3.25Å; M109-S112 PolarHBondContact O-OG 2.93Å; V110-S112 VanDerWaalsContact C-N 3.33Å
113	L	85.4	Confident	91.3	Very high	82 Å²	82	50.9 Å²	50.9	43%	0.429	26%	0.257	S	S	.	.	S	Bend	trans	-71.8	137.9	178.1	-63.8	176.3	0	0	0	110.9	M109 V110 R111	M109-L113 PolarHBondContact O-N 3.01Å; V110-L113 PolarHBondContact O-N 3.05Å; R111-L113 VanDerWaalsContact C-N 3.32Å
114	Q	78	Confident	91.1	Very high	192 Å²	192	50.9 Å²	50.9	90%	0.897	26%	0.257	S	S	*	.	S	Bend	trans	-77.7	133.6	171.6	-63.9	-175.1	-7.3	0	0	109.4
115	G	76.8	Confident	90.8	Very high	59 Å²	59	51.1 Å²	51.1	61%	0.608	26%	0.26	S	S	*	.	S	Bend	trans	132.4	-161.7	176.7	0	0	0	0	0	114	R117	G115-R117 PolarHBondContact O-N 2.63Å
116	P	77	Confident	90.3	Very high	107 Å²	107	52.4 Å²	52.4	70%	0.695	27%	0.265	S	S	*	.	S	Bend	trans	-62.5	134.8	178.7	24.7	-31.3	0	0	0	110.5	R118	P116-R118 PolarHBondContact O-N 2.7Å
117	R	83.3	Confident	89.8	Confident	252 Å²	252	58.2 Å²	58.2	95%	0.951	29%	0.287	S	S	*	.			trans	-65.3	117.5	178	-70.6	-175.5	-179.3	173.7	1.2	109.4	G115	G115-R117 PolarHBondContact O-N 2.63Å
118	R	92.3	Very high	89.1	Confident	64 Å²	64	58.6 Å²	58.6	24%	0.242	29%	0.289	C	S	.	.			trans	-107	161.1	172.9	-66.1	-170.6	176.1	152	-3.5	111.4	V110 P116 E184 D217	V110-R118 HydrophobicContact CG1-CB 4.03Å; V110-R118 WeakPolarHBondContact CG1-O 3.34Å; P116-R118 PolarHBondContact O-N 2.7Å; R118-E184 PolarHBondContact NE-O 2.77Å; R118-D217 IonicContact CZ-OD2 3.31Å; R118-D217 IonicContact NH1-OD1 3.48Å; R118-D217 IonicContact NH1-OD2 3.38Å; R118-D217 PolarHBondContact NH1-OD2 3.07Å; R118-D217 IonicContact NH2-OD2 3.98Å; R118-D217 PolarHBondContact NH2-OD2 3.15Å
119	A	96	Very high	88.8	Confident	6 Å²	6	55.4 Å²	55.4	5%	0.05	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	170.3	176.1	0	0	0	0	0	111.8	V164 R185 Y186 G187	A119-V164 CarbonylContact C-O 3.56Å; A119-V164 VanDerWaalsContact CA-O 3.25Å; A119-V164 WeakPolarHBondContact CA-O 3.39Å; A119-V164 WeakPolarHBondContact CB-O 3.47Å; A119-R185 PolarHBondContact N-O 3.2Å; A119-Y186 HydrophobicContact CB-CD1 3.9Å; A119-Y186 HydrophobicContact CB-CE1 4.09Å; A119-Y186 WeakPolarHBondContact O-CA 3.23Å; A119-G187 PolarHBondContact O-N 2.96Å
120	V	98.4	Very high	88.9	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.7	167.8	178.7	0	0	0	0	108.2	P103 C106 V107 V110 V164 L165 K166 V188 I190	P103-V120 HydrophobicContact CB-CG1 4.34Å; C106-V120 HydrophobicContact CB-CG1 4.01Å; C106-V120 HydrophobicContact CB-CG2 3.87Å; V107-V120 HydrophobicContact CG2-CB 4.18Å; V107-V120 HydrophobicContact CG2-CG2 3.78Å; V110-V120 HydrophobicContact CG2-CG2 4.1Å; V120-V164 PolarHBondContact N-O 3.27Å; V120-L165 HydrophobicContact CB-CD1 3.92Å; V120-L165 HydrophobicContact CG1-CD1 3.86Å; V120-K166 PolarHBondContact O-N 3.44Å; V120-V188 WeakPolarHBondContact CA-O 3.07Å; V120-V188 HydrophobicContact CG1-CB 4.29Å; V120-V188 HydrophobicContact CG2-CB 4.25Å; V120-I190 HydrophobicContact CG1-CD1 3.93Å; V120-I190 HydrophobicContact CG1-CG1 4.46Å
121	A	98.5	Very high	88.9	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.8	168.9	0	0	0	0	0	109.6	K166 M168 L173 Y186 V188 I189 I190	A121-K166 WeakPolarHBondContact CA-O 3.43Å; A121-M168 HydrophobicContact CB-SD 4.29Å; A121-L173 HydrophobicContact CB-CD1 4.37Å; A121-Y186 HydrophobicContact CB-CD1 3.63Å; A121-Y186 HydrophobicContact CB-CD2 4.42Å; A121-Y186 HydrophobicContact CB-CE1 3.72Å; A121-Y186 HydrophobicContact CB-CE2 4.48Å; A121-Y186 HydrophobicContact CB-CG 4.01Å; A121-V188 PolarHBondContact N-O 3.03Å; A121-I189 HydrophobicContact CB-CG1 4.27Å; A121-I190 PolarHBondContact O-N 2.81Å
122	C	98.5	Very high	88.7	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	112.6	170	-175.5	0	0	0	0	109	P103 K166 Y167 M168 I190	P103-C122 HydrophobicContact CB-CB 4.48Å; P103-C122 HydrophobicContact CG-CB 4.09Å; C122-K166 PolarHBondContact N-O 3.34Å; C122-Y167 HydrophobicContact CB-CD1 3.66Å; C122-Y167 HydrophobicContact CB-CE1 3.69Å; C122-Y167 CarbonylContact O-C 3.59Å; C122-Y167 VanDerWaalsContact O-CA 3.32Å; C122-Y167 WeakPolarHBondContact O-CA 3.5Å; C122-M168 PolarHBondContact O-N 3.24Å; C122-I190 WeakPolarHBondContact CA-O 3.5Å; C122-I190 HydrophobicContact CB-CB 4.26Å
123	T	97.8	Very high	88.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	147.1	-179.7	64.6	0	0	0	0	110.8	M168 L173 I190 L191 D192 L204	T123-M168 CarbonylContact C-O 3.29Å; T123-M168 WeakPolarHBondContact CA-O 3.14Å; T123-L173 HydrophobicContact CG2-CB 4Å; T123-L173 HydrophobicContact CG2-CD2 3.5Å; T123-L173 HydrophobicContact CG2-CG 4.4Å; T123-I190 PolarHBondContact N-O 2.84Å; T123-I190 PolarHBondContact OG1-O 3.09Å; T123-L191 HydrophobicContact CG2-CD2 4.05Å; T123-L191 WeakPolarHBondContact OG1-CA 3.41Å; T123-D192 VanDerWaalsContact O-CB 3.24Å; T123-D192 WeakPolarHBondContact O-CB 3.31Å; T123-L204 HydrophobicContact CG2-CD1 4.22Å
124	Q	94.9	Very high	89.3	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.8	172.1	-66.1	-68.2	-60	0	0	108.3	R126 A129 A130 M168 T169 D192	Q124-R126 PolarHBondContact O-N 3.23Å; Q124-R126 VanDerWaalsContact O-N 3.16Å; Q124-A129 HydrophobicContact CB-CB 4.23Å; Q124-A129 HydrophobicContact CG-CB 4.39Å; Q124-A130 HydrophobicContact CB-CB 4.07Å; Q124-A130 HydrophobicContact CG-CB 4.25Å; Q124-M168 PolarHBondContact N-O 2.88Å; Q124-T169 VanDerWaalsContact O-CA 3.28Å; Q124-T169 WeakPolarHBondContact O-CA 3.24Å; Q124-D192 VanDerWaalsContact NE2-CB 3.28Å; Q124-D192 PolarHBondContact NE2-OD2 2.78Å
125	P	90.6	Very high	90	Very high	21 Å²	21	39.6 Å²	39.6	14%	0.136	20%	0.199	C	C	.	.	S	Bend	trans	-58.8	-28.9	176	-28.3	37	0	0	0	113.4	E193 E196 T198	P125-E193 HydrophobicContact CG-CB 3.96Å; P125-E196 HydrophobicContact CB-CB 4.46Å; P125-E196 HydrophobicContact CG-CB 4.16Å; P125-E196 HydrophobicContact CG-CG 4.36Å; P125-T198 HydrophobicContact CB-CG2 3.84Å; P125-T198 HydrophobicContact CG-CG2 4.46Å
126	R	87.1	Confident	90.6	Very high	42 Å²	42	41.9 Å²	41.9	16%	0.158	19%	0.189	C	C	.	.	S	Bend	trans	-112.3	132.2	-172	-60.5	179.1	-173	-95.8	-10	111.7	Q124 V128 A129 A130 E196 N354 T358	Q124-R126 PolarHBondContact O-N 3.23Å; Q124-R126 VanDerWaalsContact O-N 3.16Å; R126-V128 VanDerWaalsContact C-N 3.31Å; R126-V128 PolarHBondContact O-N 3.34Å; R126-A129 HydrophobicContact CB-CB 4.09Å; R126-A129 WeakPolarHBondContact O-CB 3.39Å; R126-A129 PolarHBondContact O-N 3.07Å; R126-A129 VanDerWaalsContact O-N 3.16Å; R126-A130 PolarHBondContact O-N 2.61Å; R126-A130 VanDerWaalsContact O-N 3.14Å; R126-E196 IonicContact CZ-OE2 2.71Å; R126-E196 IonicContact NE-OE1 3Å; R126-E196 PolarHBondContact NE-OE1 3.12Å; R126-E196 IonicContact NE-OE2 3.96Å; R126-E196 PolarHBondContact NE-OE2 3.26Å; R126-E196 IonicContact NH2-OE1 3.82Å; R126-E196 IonicContact NH2-OE2 3.71Å; R126-E196 PolarHBondContact NH2-OE2 2.99Å; R126-N354 PolarHBondContact NH1-O 3.45Å; R126-N354 PolarHBondContact NH1-OD1 3.05Å; R126-T358 PolarHBondContact NE-OG1 3.42Å
127	R	86.5	Confident	91.5	Very high	122 Å²	122	36.8 Å²	36.8	46%	0.46	16%	0.156	S	C	.	.	H	α-helix	trans	-53.1	-47.1	175.6	-66.3	177.4	65.3	-165.4	-1.3	112.5	A129 A130 M131 I153 T169	R127-A129 VanDerWaalsContact C-N 3.3Å; R127-A129 PolarHBondContact O-N 3.15Å; R127-A130 PolarHBondContact O-N 3.1Å; R127-M131 WeakPolarHBondContact O-CG 3.38Å; R127-M131 PolarHBondContact O-N 3.26Å; R127-M131 VanDerWaalsContact O-N 3.08Å; R127-I153 HydrophobicContact CB-CD1 4.3Å; R127-I153 HydrophobicContact CB-CG2 4.46Å; R127-I153 HydrophobicContact CG-CB 4.32Å; R127-I153 HydrophobicContact CG-CG2 4.45Å; R127-T169 HydrophobicContact CG-CG2 3.95Å
128	V	82.5	Confident	92.2	Very high	10 Å²	10	24.8 Å²	24.8	6%	0.061	11%	0.111	C	C	.	.	H	α-helix	trans	-60.9	-40.9	-178.6	-179.1	0	0	0	0	111.8	R126 S132 Q329	R126-V128 VanDerWaalsContact C-N 3.31Å; R126-V128 PolarHBondContact O-N 3.34Å; V128-S132 WeakPolarHBondContact O-CB 3.28Å; V128-S132 PolarHBondContact O-N 2.96Å; V128-S132 PolarHBondContact O-OG 2.75Å; V128-Q329 VanDerWaalsContact CG2-CD 3.45Å; V128-Q329 VanDerWaalsContact CG2-NE2 3.25Å
129	A	86.7	Confident	92.2	Very high	6 Å²	6	23.3 Å²	23.3	5%	0.05	11%	0.108	C	C	.	.	H	α-helix	trans	-63.4	-50.3	177.8	0	0	0	0	0	110.6	Q124 R126 R127 M131 S132 V133	Q124-A129 HydrophobicContact CB-CB 4.23Å; Q124-A129 HydrophobicContact CG-CB 4.39Å; R126-A129 HydrophobicContact CB-CB 4.09Å; R126-A129 WeakPolarHBondContact O-CB 3.39Å; R126-A129 PolarHBondContact O-N 3.07Å; R126-A129 VanDerWaalsContact O-N 3.16Å; R127-A129 VanDerWaalsContact C-N 3.3Å; R127-A129 PolarHBondContact O-N 3.15Å; A129-M131 VanDerWaalsContact C-N 3.35Å; A129-M131 PolarHBondContact O-N 3.29Å; A129-S132 PolarHBondContact O-N 2.8Å; A129-V133 VanDerWaalsContact O-CB 3.31Å; A129-V133 WeakPolarHBondContact O-CB 3.42Å; A129-V133 WeakPolarHBondContact O-CG1 3.29Å; A129-V133 PolarHBondContact O-N 3.19Å
130	A	91.4	Very high	92.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-55	-47.1	177.3	0	0	0	0	0	112.6	Q124 R126 R127 A134 I153	Q124-A130 HydrophobicContact CB-CB 4.07Å; Q124-A130 HydrophobicContact CG-CB 4.25Å; R126-A130 PolarHBondContact O-N 2.61Å; R126-A130 VanDerWaalsContact O-N 3.14Å; R127-A130 PolarHBondContact O-N 3.1Å; A130-A134 WeakPolarHBondContact O-CB 2.96Å; A130-A134 PolarHBondContact O-N 3.21Å; A130-I153 HydrophobicContact CB-CG2 4.11Å
131	M	89.1	Confident	92.1	Very high	24 Å²	24	23.8 Å²	23.8	12%	0.118	11%	0.109	C	C	.	.	H	α-helix	trans	-67.3	-49.4	-179.5	-64.4	173.5	80.7	0	0	112	R127 A129 A134 Q135 Y151 I153 P326	R127-M131 WeakPolarHBondContact O-CG 3.38Å; R127-M131 PolarHBondContact O-N 3.26Å; R127-M131 VanDerWaalsContact O-N 3.08Å; A129-M131 VanDerWaalsContact C-N 3.35Å; A129-M131 PolarHBondContact O-N 3.29Å; M131-A134 PolarHBondContact O-N 3.48Å; M131-Q135 PolarHBondContact O-N 3.37Å; M131-Y151 HydrophobicContact CE-CE2 4.19Å; M131-Y151 HydrophobicContact CG-CD1 4.49Å; M131-Y151 HydrophobicContact CG-CD2 3.9Å; M131-Y151 HydrophobicContact CG-CE1 4.39Å; M131-Y151 HydrophobicContact CG-CE2 3.78Å; M131-Y151 HydrophobicContact CG-CG 4.28Å; M131-I153 HydrophobicContact CE-CD1 4.43Å; M131-I153 HydrophobicContact CG-CD1 3.89Å; M131-I153 HydrophobicContact SD-CD1 3.53Å; M131-I153 VanDerWaalsContact SD-CD1 3.53Å; M131-P326 HydrophobicContact CE-CB 4.23Å; M131-P326 HydrophobicContact CE-CG 3.57Å; M131-P326 HydrophobicContact SD-CG 4.42Å
132	S	85.3	Confident	92	Very high	29 Å²	29	25.4 Å²	25.4	20%	0.203	12%	0.118	C	C	.	.	H	α-helix	trans	-68.4	-39.1	-175.1	-65.4	0	0	0	0	111.5	V128 A129 R136	V128-S132 WeakPolarHBondContact O-CB 3.28Å; V128-S132 PolarHBondContact O-N 2.96Å; V128-S132 PolarHBondContact O-OG 2.75Å; A129-S132 PolarHBondContact O-N 2.8Å; S132-R136 WeakPolarHBondContact O-CB 3.38Å; S132-R136 PolarHBondContact O-N 3.49Å
133	V	90.9	Very high	92	Very high	18 Å²	18	26.1 Å²	26.1	11%	0.109	12%	0.122	C	C	.	.	H	α-helix	trans	-73.5	-34.9	177.6	81.3	0	0	0	0	112	T99 T100 A129 R136 V137 Y167	T99-V133 HydrophobicContact CG2-CB 4.39Å; T99-V133 HydrophobicContact CG2-CG1 4.19Å; T99-V133 HydrophobicContact CG2-CG2 3.75Å; T100-V133 HydrophobicContact CG2-CG2 3.78Å; A129-V133 VanDerWaalsContact O-CB 3.31Å; A129-V133 WeakPolarHBondContact O-CB 3.42Å; A129-V133 WeakPolarHBondContact O-CG1 3.29Å; A129-V133 PolarHBondContact O-N 3.19Å; V133-R136 PolarHBondContact O-N 3.11Å; V133-V137 HydrophobicContact CG2-CG2 4.1Å; V133-V137 VanDerWaalsContact O-CB 3.29Å; V133-V137 WeakPolarHBondContact O-CB 3.38Å; V133-V137 WeakPolarHBondContact O-CG2 3.4Å; V133-V137 PolarHBondContact O-N 2.87Å; V133-Y167 HydrophobicContact CG1-CD1 3.33Å; V133-Y167 HydrophobicContact CG1-CD2 4.17Å; V133-Y167 HydrophobicContact CG1-CE1 3.63Å; V133-Y167 HydrophobicContact CG1-CE2 4.43Å; V133-Y167 HydrophobicContact CG1-CG 3.63Å; V133-Y167 HydrophobicContact CG2-CE1 4.32Å
134	A	94.8	Very high	91.9	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-45.3	172.5	0	0	0	0	0	111.7	A130 M131 V137 S138 L145 V149 Y151 Y167	A130-A134 WeakPolarHBondContact O-CB 2.96Å; A130-A134 PolarHBondContact O-N 3.21Å; M131-A134 PolarHBondContact O-N 3.48Å; A134-V137 PolarHBondContact O-N 3.5Å; A134-S138 WeakPolarHBondContact O-CB 3.27Å; A134-S138 PolarHBondContact O-N 2.72Å; A134-S138 PolarHBondContact O-OG 3.28Å; A134-L145 HydrophobicContact CB-CD1 3.83Å; A134-V149 HydrophobicContact CB-CG1 4.46Å; A134-V149 WeakPolarHBondContact O-CG1 3.18Å; A134-Y151 HydrophobicContact CB-CD1 4Å; A134-Y151 HydrophobicContact CB-CG 4.4Å; A134-Y167 HydrophobicContact CB-CD2 3.81Å; A134-Y167 HydrophobicContact CB-CG 4.33Å
135	Q	91.8	Very high	92	Very high	69 Å²	69	32.7 Å²	32.7	32%	0.322	16%	0.161	S	C	.	.	H	α-helix	trans	-62.4	-43.3	174.6	-179.5	60.7	69.1	0	0	112.1	M131 V137 S138 D139 L145	M131-Q135 PolarHBondContact O-N 3.37Å; Q135-V137 VanDerWaalsContact C-N 3.31Å; Q135-V137 PolarHBondContact O-N 3.36Å; Q135-S138 PolarHBondContact NE2-OG 2.83Å; Q135-S138 PolarHBondContact O-N 3.07Å; Q135-S138 PolarHBondContact O-OG 3.02Å; Q135-D139 PolarHBondContact NE2-OD1 3.17Å; Q135-D139 PolarHBondContact O-N 2.92Å; Q135-D139 VanDerWaalsContact O-N 3.13Å; Q135-L145 HydrophobicContact CB-CD2 4.1Å
136	R	89.9	Confident	92.2	Very high	107 Å²	107	32 Å²	32	40%	0.404	16%	0.158	S	C	.	.	H	α-helix	trans	-61.8	-43.3	176.4	175.4	57.5	-177.4	-150	-2.3	111	T100 S132 V133 D139 E140	T100-R136 HydrophobicContact CG2-CG 4.3Å; S132-R136 WeakPolarHBondContact O-CB 3.38Å; S132-R136 PolarHBondContact O-N 3.49Å; V133-R136 PolarHBondContact O-N 3.11Å; R136-D139 WeakPolarHBondContact O-CB 3.5Å; R136-D139 PolarHBondContact O-N 2.92Å; R136-E140 IonicContact CZ-OE1 2.74Å; R136-E140 IonicContact NE-OE1 3.84Å; R136-E140 PolarHBondContact NE-OE1 2.89Å; R136-E140 IonicContact NH2-OE1 3Å; R136-E140 WeakPolarHBondContact O-CB 3.46Å; R136-E140 VanDerWaalsContact O-CG 3.29Å; R136-E140 WeakPolarHBondContact O-CG 3.35Å; R136-E140 PolarHBondContact O-N 3.12Å
137	V	96	Very high	92.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-76.2	-29.6	-175.7	174.1	0	0	0	0	111.5	T100 Q104 V133 A134 Q135 D139 E140 M141 V149 L165 Y167	T100-V137 HydrophobicContact CG2-CG2 4.1Å; Q104-V137 HydrophobicContact CG-CG1 3.9Å; V133-V137 HydrophobicContact CG2-CG2 4.1Å; V133-V137 VanDerWaalsContact O-CB 3.29Å; V133-V137 WeakPolarHBondContact O-CB 3.38Å; V133-V137 WeakPolarHBondContact O-CG2 3.4Å; V133-V137 PolarHBondContact O-N 2.87Å; A134-V137 PolarHBondContact O-N 3.5Å; Q135-V137 VanDerWaalsContact C-N 3.31Å; Q135-V137 PolarHBondContact O-N 3.36Å; V137-D139 VanDerWaalsContact C-N 3.34Å; V137-E140 PolarHBondContact O-N 2.73Å; V137-M141 HydrophobicContact CG1-CG 4.25Å; V137-M141 HydrophobicContact CG1-SD 3.97Å; V137-M141 WeakPolarHBondContact O-CB 3.35Å; V137-M141 WeakPolarHBondContact O-CG 3.34Å; V137-M141 PolarHBondContact O-N 3.47Å; V137-V149 HydrophobicContact CB-CG1 4.39Å; V137-V149 HydrophobicContact CG1-CG1 4.31Å; V137-V149 HydrophobicContact CG1-CG2 4.31Å; V137-L165 HydrophobicContact CG1-CD2 3.66Å; V137-Y167 HydrophobicContact CB-CE2 3.89Å; V137-Y167 HydrophobicContact CG1-CE2 4.03Å; V137-Y167 HydrophobicContact CG2-CE2 4.09Å; V137-Y167 WeakPolarHBondContact CG2-OH 3.19Å
138	S	96.4	Very high	93.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	15%	0.148	C	C	.	.	H	α-helix	trans	-63.7	-41.4	169.4	69.6	0	0	0	0	111.3	A134 Q135 E140 M141 D142 V143	A134-S138 WeakPolarHBondContact O-CB 3.27Å; A134-S138 PolarHBondContact O-N 2.72Å; A134-S138 PolarHBondContact O-OG 3.28Å; Q135-S138 PolarHBondContact NE2-OG 2.83Å; Q135-S138 PolarHBondContact O-N 3.07Å; Q135-S138 PolarHBondContact O-OG 3.02Å; S138-E140 VanDerWaalsContact C-N 3.34Å; S138-M141 PolarHBondContact O-N 3.31Å; S138-D142 PolarHBondContact O-N 2.89Å; S138-V143 CarbonylContact C-O 3.52Å; S138-V143 WeakPolarHBondContact CB-O 3.41Å; S138-V143 PolarHBondContact O-N 3.06Å
139	D	93.8	Very high	93.9	Very high	32 Å²	32	28 Å²	28	17%	0.171	15%	0.145	C	C	.	.	H	α-helix	trans	-64	-39.1	172.5	-69.3	-28.5	0	0	0	111.9	R58 I62 Q135 R136 V137 D142	R58-D139 IonicContact CZ-OD1 2.8Å; R58-D139 IonicContact CZ-OD2 2.69Å; R58-D139 VanDerWaalsContact NH1-CG 3.28Å; R58-D139 IonicContact NH1-OD1 3.32Å; R58-D139 PolarHBondContact NH1-OD1 3.27Å; R58-D139 IonicContact NH1-OD2 3.39Å; R58-D139 IonicContact NH2-OD1 3.73Å; R58-D139 IonicContact NH2-OD2 2.79Å; R58-D139 PolarHBondContact NH2-OD2 3.47Å; I62-D139 HydrophobicContact CD1-CB 4.35Å; Q135-D139 PolarHBondContact NE2-OD1 3.17Å; Q135-D139 PolarHBondContact O-N 2.92Å; Q135-D139 VanDerWaalsContact O-N 3.13Å; R136-D139 WeakPolarHBondContact O-CB 3.5Å; R136-D139 PolarHBondContact O-N 2.92Å; V137-D139 VanDerWaalsContact C-N 3.34Å; D139-D142 PolarHBondContact O-N 2.92Å
140	E	95.1	Very high	94.4	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.014	14%	0.143	C	C	.	.	H	α-helix	trans	-68.7	-30.9	178.5	-78.9	-169.8	-168.3	0	0	113.9	Y59 I62 R66 Q101 Q104 R136 V137 S138	Y59-E140 WeakPolarHBondContact CD2-O 3.38Å; Y59-E140 WeakPolarHBondContact CE2-O 3.31Å; I62-E140 HydrophobicContact CG2-CG 3.67Å; R66-E140 VanDerWaalsContact CD-CD 3.43Å; R66-E140 WeakPolarHBondContact CD-OE2 3.36Å; R66-E140 IonicContact CZ-OE2 3.42Å; R66-E140 IonicContact NE-OE2 2.62Å; R66-E140 PolarHBondContact NE-OE2 3.4Å; R66-E140 VanDerWaalsContact NH1-CB 3.32Å; R66-E140 PolarHBondContact NH1-O 3.42Å; R66-E140 IonicContact NH1-OE2 3.82Å; R66-E140 IonicContact NH2-OE2 3.79Å; R66-E140 PolarHBondContact NH2-OE2 2.98Å; Q101-E140 PolarHBondContact NE2-OE2 3.34Å; Q104-E140 PolarHBondContact NE2-OE2 3.37Å; R136-E140 IonicContact CZ-OE1 2.74Å; R136-E140 IonicContact NE-OE1 3.84Å; R136-E140 PolarHBondContact NE-OE1 2.89Å; R136-E140 IonicContact NH2-OE1 3Å; R136-E140 WeakPolarHBondContact O-CB 3.46Å; R136-E140 VanDerWaalsContact O-CG 3.29Å; R136-E140 WeakPolarHBondContact O-CG 3.35Å; R136-E140 PolarHBondContact O-N 3.12Å; V137-E140 PolarHBondContact O-N 2.73Å; S138-E140 VanDerWaalsContact C-N 3.34Å
141	M	96.3	Very high	94.7	Very high	15 Å²	15	28.6 Å²	28.6	7%	0.074	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-0.8	176.2	-67.6	-178.1	72	0	0	112.7	N48 F50 Q104 V107 V137 S138 V143 V149 L165	N48-M141 PolarHBondContact ND2-O 2.99Å; N48-M141 VanDerWaalsContact ND2-O 3.15Å; F50-M141 HydrophobicContact CD2-CE 4.44Å; F50-M141 HydrophobicContact CE2-CE 3.45Å; F50-M141 VanDerWaalsContact CE2-CE 3.45Å; F50-M141 HydrophobicContact CZ-CE 3.62Å; Q104-M141 HydrophobicContact CG-CG 4Å; Q104-M141 HydrophobicContact CG-SD 3.87Å; V107-M141 HydrophobicContact CG1-CE 4.25Å; V137-M141 HydrophobicContact CG1-CG 4.25Å; V137-M141 HydrophobicContact CG1-SD 3.97Å; V137-M141 WeakPolarHBondContact O-CB 3.35Å; V137-M141 WeakPolarHBondContact O-CG 3.34Å; V137-M141 PolarHBondContact O-N 3.47Å; S138-M141 PolarHBondContact O-N 3.31Å; M141-V143 VanDerWaalsContact C-N 3.35Å; M141-V143 HydrophobicContact CB-CG2 3.98Å; M141-V143 PolarHBondContact O-N 3.32Å; M141-V149 HydrophobicContact CB-CG2 4.44Å; M141-V149 HydrophobicContact CE-CG2 4.42Å; M141-V149 HydrophobicContact CG-CG2 4.42Å; M141-V149 HydrophobicContact SD-CG2 3.42Å; M141-V149 WeakPolarHBondContact SD-CG2 3.33Å; M141-L165 HydrophobicContact SD-CD2 4.11Å
142	D	97.3	Very high	95	Very high	33 Å²	33	27.6 Å²	27.6	18%	0.176	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	45	-179.9	-158	34.9	0	0	0	112.5	N48 H55 T56 Y59 S138 D139	N48-D142 PolarHBondContact ND2-O 3.29Å; H55-D142 WeakPolarHBondContact CA-OD2 3.45Å; H55-D142 IonicContact CG-OD2 3.48Å; H55-D142 IonicContact ND1-OD2 3.11Å; H55-D142 PolarHBondContact ND1-OD2 3.26Å; T56-D142 WeakPolarHBondContact CB-OD1 3.17Å; T56-D142 VanDerWaalsContact CG2-OD1 3.27Å; T56-D142 WeakPolarHBondContact CG2-OD1 3.26Å; T56-D142 PolarHBondContact N-OD2 2.93Å; T56-D142 PolarHBondContact OG1-OD1 3.25Å; T56-D142 PolarHBondContact OG1-OD2 2.97Å; Y59-D142 HydrophobicContact CD2-CB 3.93Å; Y59-D142 HydrophobicContact CG-CB 4.2Å; S138-D142 PolarHBondContact O-N 2.89Å; D139-D142 PolarHBondContact O-N 2.92Å
143	V	97.1	Very high	95.2	Very high	15 Å²	15	26.2 Å²	26.2	9%	0.091	13%	0.132	C	C	.	.			trans	-129.8	161.7	-178.9	-63.7	0	0	0	0	111.4	F50 S138 M141 E148 V149	F50-V143 HydrophobicContact CB-CG1 4.32Å; F50-V143 HydrophobicContact CD2-CG1 4.29Å; S138-V143 CarbonylContact C-O 3.52Å; S138-V143 WeakPolarHBondContact CB-O 3.41Å; S138-V143 PolarHBondContact O-N 3.06Å; M141-V143 VanDerWaalsContact C-N 3.35Å; M141-V143 HydrophobicContact CB-CG2 3.98Å; M141-V143 PolarHBondContact O-N 3.32Å; V143-E148 HydrophobicContact CB-CB 4.25Å; V143-E148 HydrophobicContact CG1-CB 4.12Å; V143-E148 HydrophobicContact CG1-CG 4.25Å; V143-E148 HydrophobicContact CG2-CB 4.17Å; V143-V149 HydrophobicContact CG2-CB 4.16Å; V143-V149 HydrophobicContact CG2-CG2 3.78Å
144	V	96.4	Very high	95	Very high	103 Å²	103	29.5 Å²	29.5	62%	0.624	14%	0.142	S	C	*	.			trans	-81.2	130.1	178.5	-177.1	0	0	0	0	109.9	G146 Q147	V144-G146 PolarHBondContact O-N 3.35Å; V144-Q147 HydrophobicContact CB-CG 3.99Å; V144-Q147 HydrophobicContact CG1-CG 4.38Å; V144-Q147 WeakPolarHBondContact O-CB 3.11Å; V144-Q147 PolarHBondContact O-N 3.35Å
145	L	96.3	Very high	94.4	Very high	37 Å²	37	30.6 Å²	30.6	19%	0.194	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-56.2	134.2	174.7	-176.6	63.9	0	0	0	111.1	A134 Q135 Q147 Y151	A134-L145 HydrophobicContact CB-CD1 3.83Å; Q135-L145 HydrophobicContact CB-CD2 4.1Å; L145-Q147 VanDerWaalsContact C-N 3.33Å; L145-Y151 HydrophobicContact CD1-CD1 4.25Å; L145-Y151 HydrophobicContact CD2-CD1 4.4Å; L145-Y151 HydrophobicContact CD2-CE1 4.04Å
146	G	94.9	Very high	94	Very high	7 Å²	7	30.7 Å²	30.7	7%	0.072	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	-9.8	-175	0	0	0	0	0	114.4	V144 V149 C158 S159 S160	V144-G146 PolarHBondContact O-N 3.35Å; G146-V149 PolarHBondContact N-O 3.16Å; G146-C158 WeakPolarHBondContact CA-O 3.36Å; G146-S159 CarbonylContact O-C 3.55Å; G146-S160 VanDerWaalsContact O-CB 3.29Å; G146-S160 WeakPolarHBondContact O-CB 3.41Å; G146-S160 PolarHBondContact O-N 3.17Å; G146-S160 PolarHBondContact O-OG 2.94Å
147	Q	96.4	Very high	94.1	Very high	66 Å²	66	30.5 Å²	30.5	31%	0.308	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-106.4	170.9	-56.6	-62.9	-57.5	0	0	109.4	V144 L145 K162 T163	V144-Q147 HydrophobicContact CB-CG 3.99Å; V144-Q147 HydrophobicContact CG1-CG 4.38Å; V144-Q147 WeakPolarHBondContact O-CB 3.11Å; V144-Q147 PolarHBondContact O-N 3.35Å; L145-Q147 VanDerWaalsContact C-N 3.33Å; Q147-K162 CarbonylContact O-C 3.56Å; Q147-T163 WeakPolarHBondContact O-CA 3.44Å; Q147-T163 WeakPolarHBondContact O-CB 3.25Å; Q147-T163 PolarHBondContact O-N 3.27Å; Q147-T163 VanDerWaalsContact O-N 3.13Å; Q147-T163 PolarHBondContact O-OG1 3.19Å
148	E	97.3	Very high	94	Very high	23 Å²	23	32.1 Å²	32.1	11%	0.107	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-37	-177.5	-68.7	73	-158.9	0	0	113.2	F50 V143 V164 L165	F50-E148 HydrophobicContact CB-CG 3.85Å; F50-E148 HydrophobicContact CD1-CG 3.86Å; F50-E148 HydrophobicContact CG-CG 3.94Å; V143-E148 HydrophobicContact CB-CB 4.25Å; V143-E148 HydrophobicContact CG1-CB 4.12Å; V143-E148 HydrophobicContact CG1-CG 4.25Å; V143-E148 HydrophobicContact CG2-CB 4.17Å; E148-V164 HydrophobicContact CB-CG2 4.24Å; E148-V164 WeakPolarHBondContact O-CG2 3.32Å; E148-V164 PolarHBondContact O-N 3.43Å; E148-L165 PolarHBondContact O-N 3.44Å
149	V	98.3	Very high	93.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.3	171.3	179.3	0	0	0	0	108.2	A134 V137 M141 V143 G146 L165 Y167	A134-V149 HydrophobicContact CB-CG1 4.46Å; A134-V149 WeakPolarHBondContact O-CG1 3.18Å; V137-V149 HydrophobicContact CB-CG1 4.39Å; V137-V149 HydrophobicContact CG1-CG1 4.31Å; V137-V149 HydrophobicContact CG1-CG2 4.31Å; M141-V149 HydrophobicContact CB-CG2 4.44Å; M141-V149 HydrophobicContact CE-CG2 4.42Å; M141-V149 HydrophobicContact CG-CG2 4.42Å; M141-V149 HydrophobicContact SD-CG2 3.42Å; M141-V149 WeakPolarHBondContact SD-CG2 3.33Å; V143-V149 HydrophobicContact CG2-CB 4.16Å; V143-V149 HydrophobicContact CG2-CG2 3.78Å; G146-V149 PolarHBondContact N-O 3.16Å; V149-L165 WeakPolarHBondContact CA-O 3.36Å; V149-L165 HydrophobicContact CG2-CB 4.35Å; V149-L165 HydrophobicContact CG2-CD2 4.34Å; V149-Y167 HydrophobicContact CG1-CD2 4.42Å; V149-Y167 HydrophobicContact CG1-CE2 4.33Å
150	G	97.8	Very high	94	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	178	179.5	0	0	0	0	0	112.6	C158 L165 K166 Y167	G150-C158 CarbonylContact C-O 3.54Å; G150-C158 WeakPolarHBondContact CA-O 3.21Å; G150-L165 PolarHBondContact N-O 2.85Å; G150-K166 WeakPolarHBondContact O-CA 3.49Å; G150-Y167 PolarHBondContact O-N 3.16Å
151	Y	96.8	Very high	94	Very high	19 Å²	19	38.8 Å²	38.8	8%	0.075	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	158.7	168.9	68.6	-93.2	0	0	0	113.4	M131 A134 L145 I153 E156 C158 Y167	M131-Y151 HydrophobicContact CE-CE2 4.19Å; M131-Y151 HydrophobicContact CG-CD1 4.49Å; M131-Y151 HydrophobicContact CG-CD2 3.9Å; M131-Y151 HydrophobicContact CG-CE1 4.39Å; M131-Y151 HydrophobicContact CG-CE2 3.78Å; M131-Y151 HydrophobicContact CG-CG 4.28Å; A134-Y151 HydrophobicContact CB-CD1 4Å; A134-Y151 HydrophobicContact CB-CG 4.4Å; L145-Y151 HydrophobicContact CD1-CD1 4.25Å; L145-Y151 HydrophobicContact CD2-CD1 4.4Å; L145-Y151 HydrophobicContact CD2-CE1 4.04Å; Y151-I153 HydrophobicContact CD2-CG1 4.42Å; Y151-I153 HydrophobicContact CD2-CG2 4.26Å; Y151-I153 HydrophobicContact CE2-CD1 4.21Å; Y151-I153 HydrophobicContact CE2-CG1 4.35Å; Y151-E156 HydrophobicContact CE2-CG 4.01Å; Y151-E156 PolarHBondContact OH-OE1 3.44Å; Y151-C158 HydrophobicContact CD1-CB 3.81Å; Y151-C158 HydrophobicContact CD2-CB 4.2Å; Y151-C158 HydrophobicContact CE1-CB 3.35Å; Y151-C158 HydrophobicContact CE2-CB 3.8Å; Y151-C158 HydrophobicContact CG-CB 4.19Å; Y151-C158 PolarHBondContact N-O 3.49Å; Y151-C158 CarbonylContact O-C 3.55Å; Y151-C158 WeakPolarHBondContact O-CA 3.43Å; Y151-C158 PolarHBondContact O-N 2.81Å; Y151-Y167 CarbonylContact C-O 3.47Å; Y151-Y167 WeakPolarHBondContact CA-O 3.28Å; Y151-Y167 WeakPolarHBondContact CB-O 3.46Å
152	S	95.4	Very high	93.9	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.014	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	119.2	174.7	-170.5	0	0	0	0	110.9	Y167 M168 T169 M172	S152-Y167 PolarHBondContact N-O 3.08Å; S152-M168 WeakPolarHBondContact O-CA 3.07Å; S152-M168 WeakPolarHBondContact O-CB 3.19Å; S152-T169 PolarHBondContact O-N 3.4Å; S152-M172 WeakPolarHBondContact OG-CE 3.46Å
153	I	91.1	Very high	93.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	165.3	178	65.4	-175.4	0	0	0	109.5	R127 A130 M131 Y151 F155 E156 T169	R127-I153 HydrophobicContact CB-CD1 4.3Å; R127-I153 HydrophobicContact CB-CG2 4.46Å; R127-I153 HydrophobicContact CG-CB 4.32Å; R127-I153 HydrophobicContact CG-CG2 4.45Å; A130-I153 HydrophobicContact CB-CG2 4.11Å; M131-I153 HydrophobicContact CE-CD1 4.43Å; M131-I153 HydrophobicContact CG-CD1 3.89Å; M131-I153 HydrophobicContact SD-CD1 3.53Å; M131-I153 VanDerWaalsContact SD-CD1 3.53Å; Y151-I153 HydrophobicContact CD2-CG1 4.42Å; Y151-I153 HydrophobicContact CD2-CG2 4.26Å; Y151-I153 HydrophobicContact CE2-CD1 4.21Å; Y151-I153 HydrophobicContact CE2-CG1 4.35Å; I153-F155 PolarHBondContact O-N 3.09Å; I153-F155 VanDerWaalsContact O-N 3.1Å; I153-E156 HydrophobicContact CD1-CB 4.13Å; I153-E156 HydrophobicContact CG1-CB 3.7Å; I153-E156 HydrophobicContact CG1-CG 4.45Å; I153-E156 PolarHBondContact N-O 3.01Å; I153-E156 CarbonylContact O-C 3.49Å; I153-E156 PolarHBondContact O-N 3.46Å; I153-T169 HydrophobicContact CB-CG2 4.45Å; I153-T169 HydrophobicContact CG2-CG2 4Å
154	R	85.9	Confident	93.9	Very high	87 Å²	87	43.5 Å²	43.5	33%	0.328	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	123.6	178.4	-168.5	-177	172.4	-176.5	-12.5	109.6	E156 M172 P498	R154-E156 VanDerWaalsContact C-N 3.34Å; R154-M172 HydrophobicContact CB-SD 4.42Å; R154-P498 HydrophobicContact CG-CB 4.33Å; R154-P498 PolarHBondContact NE-O 3.25Å; R154-P498 VanDerWaalsContact NE-O 3.09Å; R154-P498 PolarHBondContact NH2-O 3.35Å
155	F	81.9	Confident	94	Very high	23 Å²	23	38.6 Å²	38.6	10%	0.101	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	15.7	-177.3	-44.9	-65.1	0	0	0	117.5	I153 P498 N591 V592 Q595	I153-F155 PolarHBondContact O-N 3.09Å; I153-F155 VanDerWaalsContact O-N 3.1Å; F155-P498 HydrophobicContact CD1-CG 4.34Å; F155-P498 HydrophobicContact CE1-CB 4.26Å; F155-P498 HydrophobicContact CE1-CG 3.47Å; F155-P498 VanDerWaalsContact CE1-CG 3.47Å; F155-P498 HydrophobicContact CZ-CB 4.38Å; F155-P498 HydrophobicContact CZ-CG 3.96Å; F155-N591 PolarHBondContact O-ND2 2.94Å; F155-V592 HydrophobicContact CB-CG2 4.42Å; F155-V592 HydrophobicContact CD1-CG2 4.18Å; F155-V592 HydrophobicContact CD2-CG2 3.6Å; F155-V592 HydrophobicContact CE1-CG1 4.02Å; F155-V592 HydrophobicContact CE1-CG2 4.3Å; F155-V592 HydrophobicContact CE2-CG1 4.31Å; F155-V592 HydrophobicContact CE2-CG2 3.74Å; F155-V592 HydrophobicContact CG-CG2 3.84Å; F155-V592 HydrophobicContact CZ-CG1 3.89Å; F155-V592 HydrophobicContact CZ-CG2 4.09Å; F155-Q595 HydrophobicContact CD1-CB 4.44Å; F155-Q595 PolarHBondContact O-NE2 3.34Å
156	E	84.5	Confident	94.1	Very high	71 Å²	71	36.9 Å²	36.9	33%	0.332	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	117	176.3	-174.4	177.4	177.8	0	0	110.5	Y151 I153 R154	Y151-E156 HydrophobicContact CE2-CG 4.01Å; Y151-E156 PolarHBondContact OH-OE1 3.44Å; I153-E156 HydrophobicContact CD1-CB 4.13Å; I153-E156 HydrophobicContact CG1-CB 3.7Å; I153-E156 HydrophobicContact CG1-CG 4.45Å; I153-E156 PolarHBondContact N-O 3.01Å; I153-E156 CarbonylContact O-C 3.49Å; I153-E156 PolarHBondContact O-N 3.46Å; R154-E156 VanDerWaalsContact C-N 3.34Å
157	D	90.9	Very high	94.3	Very high	102 Å²	102	36.6 Å²	36.6	55%	0.545	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111.3	177.9	-173.1	15.1	0	0	0	109.6	S159	D157-S159 WeakPolarHBondContact OD1-CB 3.43Å; D157-S159 PolarHBondContact OD1-OG 2.81Å; D157-S159 PolarHBondContact OD2-OG 3Å
158	C	93.6	Very high	94.3	Very high	35 Å²	35	33.4 Å²	33.4	24%	0.236	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	69	176.6	-171.2	0	0	0	0	108.2	G146 G150 Y151	G146-C158 WeakPolarHBondContact CA-O 3.36Å; G150-C158 CarbonylContact C-O 3.54Å; G150-C158 WeakPolarHBondContact CA-O 3.21Å; Y151-C158 HydrophobicContact CD1-CB 3.81Å; Y151-C158 HydrophobicContact CD2-CB 4.2Å; Y151-C158 HydrophobicContact CE1-CB 3.35Å; Y151-C158 HydrophobicContact CE2-CB 3.8Å; Y151-C158 HydrophobicContact CG-CB 4.19Å; Y151-C158 PolarHBondContact N-O 3.49Å; Y151-C158 CarbonylContact O-C 3.55Å; Y151-C158 WeakPolarHBondContact O-CA 3.43Å; Y151-C158 PolarHBondContact O-N 2.81Å
159	S	95.6	Very high	94.2	Very high	29 Å²	29	33 Å²	33	20%	0.203	18%	0.184	C	C	.	.			trans	-143.8	167	177.6	72.3	0	0	0	0	111.1	G146 D157	G146-S159 CarbonylContact O-C 3.55Å; D157-S159 WeakPolarHBondContact OD1-CB 3.43Å; D157-S159 PolarHBondContact OD1-OG 2.81Å; D157-S159 PolarHBondContact OD2-OG 3Å
160	S	95.6	Very high	94.1	Very high	34 Å²	34	33.6 Å²	33.6	24%	0.238	19%	0.188	C	C	.	.			trans	-145.2	179.7	-180	66.8	0	0	0	0	111	G146 K162 T163	G146-S160 VanDerWaalsContact O-CB 3.29Å; G146-S160 WeakPolarHBondContact O-CB 3.41Å; G146-S160 PolarHBondContact O-N 3.17Å; G146-S160 PolarHBondContact O-OG 2.94Å; S160-K162 PolarHBondContact O-N 3.2Å; S160-K162 VanDerWaalsContact O-N 3.14Å; S160-K162 PolarHBondContact OG-N 3.24Å; S160-T163 PolarHBondContact N-OG1 3.39Å; S160-T163 WeakPolarHBondContact O-CB 3.4Å; S160-T163 PolarHBondContact O-N 2.8Å; S160-T163 VanDerWaalsContact O-N 3.08Å; S160-T163 PolarHBondContact O-OG1 3.35Å; S160-T163 VanDerWaalsContact O-OG1 3.13Å
161	A	93.6	Very high	93.9	Very high	113 Å²	113	34.7 Å²	34.7	93%	0.934	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.4	174.1	0	0	0	0	0	113.5
162	K	95.1	Very high	93.8	Very high	119 Å²	119	35 Å²	35	52%	0.517	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.7	177	-62.2	-174.2	-171.5	168.2	0	113.5	Q147 S160 V164	Q147-K162 CarbonylContact O-C 3.56Å; S160-K162 PolarHBondContact O-N 3.2Å; S160-K162 VanDerWaalsContact O-N 3.14Å; S160-K162 PolarHBondContact OG-N 3.24Å; K162-V164 PolarHBondContact O-N 2.92Å; K162-V164 VanDerWaalsContact O-N 3.15Å
163	T	97.3	Very high	93.8	Very high	9 Å²	9	35 Å²	35	6%	0.055	20%	0.201	C	C	.	.			trans	-66.6	115.4	-172.8	-55.2	0	0	0	0	111.4	Q147 S160 L165 K166	Q147-T163 WeakPolarHBondContact O-CA 3.44Å; Q147-T163 WeakPolarHBondContact O-CB 3.25Å; Q147-T163 PolarHBondContact O-N 3.27Å; Q147-T163 VanDerWaalsContact O-N 3.13Å; Q147-T163 PolarHBondContact O-OG1 3.19Å; S160-T163 PolarHBondContact N-OG1 3.39Å; S160-T163 WeakPolarHBondContact O-CB 3.4Å; S160-T163 PolarHBondContact O-N 2.8Å; S160-T163 VanDerWaalsContact O-N 3.08Å; S160-T163 PolarHBondContact O-OG1 3.35Å; S160-T163 VanDerWaalsContact O-OG1 3.13Å; T163-L165 WeakPolarHBondContact CG2-O 3.45Å; T163-K166 HydrophobicContact CG2-CB 4.1Å; T163-K166 HydrophobicContact CG2-CG 4.33Å
164	V	97.1	Very high	93.9	Very high	33 Å²	33	35 Å²	35	20%	0.2	20%	0.202	C	C	.	.	S	Bend	trans	-104.8	-21.8	176.7	-63.1	0	0	0	0	112.2	F50 V107 A119 V120 E148 K162	F50-V164 HydrophobicContact CE1-CG2 3.93Å; F50-V164 HydrophobicContact CZ-CG2 4.38Å; V107-V164 HydrophobicContact CG1-CG2 4.12Å; A119-V164 CarbonylContact C-O 3.56Å; A119-V164 VanDerWaalsContact CA-O 3.25Å; A119-V164 WeakPolarHBondContact CA-O 3.39Å; A119-V164 WeakPolarHBondContact CB-O 3.47Å; V120-V164 PolarHBondContact N-O 3.27Å; E148-V164 HydrophobicContact CB-CG2 4.24Å; E148-V164 WeakPolarHBondContact O-CG2 3.32Å; E148-V164 PolarHBondContact O-N 3.43Å; K162-V164 PolarHBondContact O-N 2.92Å; K162-V164 VanDerWaalsContact O-N 3.15Å
165	L	98.4	Very high	94.1	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120	173.8	174.5	56.3	0	0	0	109.2	P103 V107 V120 V137 M141 E148 V149 G150 T163 Y167	P103-L165 HydrophobicContact CB-CD1 3.55Å; P103-L165 HydrophobicContact CB-CD2 4.06Å; P103-L165 HydrophobicContact CB-CG 4.49Å; V107-L165 HydrophobicContact CG2-CB 3.81Å; V107-L165 HydrophobicContact CG2-CD1 4.47Å; V107-L165 HydrophobicContact CG2-CD2 4.34Å; V107-L165 HydrophobicContact CG2-CG 4.43Å; V120-L165 HydrophobicContact CB-CD1 3.92Å; V120-L165 HydrophobicContact CG1-CD1 3.86Å; V137-L165 HydrophobicContact CG1-CD2 3.66Å; M141-L165 HydrophobicContact SD-CD2 4.11Å; E148-L165 PolarHBondContact O-N 3.44Å; V149-L165 WeakPolarHBondContact CA-O 3.36Å; V149-L165 HydrophobicContact CG2-CB 4.35Å; V149-L165 HydrophobicContact CG2-CD2 4.34Å; G150-L165 PolarHBondContact N-O 2.85Å; T163-L165 WeakPolarHBondContact CG2-O 3.45Å; L165-Y167 HydrophobicContact CD1-CE2 4.26Å; L165-Y167 HydrophobicContact CD2-CE2 3.77Å; L165-Y167 HydrophobicContact CG-CD2 4.41Å; L165-Y167 HydrophobicContact CG-CE2 3.86Å
166	K	98.4	Very high	94.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.4	179	-155.8	173.8	81.3	-176.8	0	111	V120 A121 C122 G150 T163 M168 E176 Y186	V120-K166 PolarHBondContact O-N 3.44Å; A121-K166 WeakPolarHBondContact CA-O 3.43Å; C122-K166 PolarHBondContact N-O 3.34Å; G150-K166 WeakPolarHBondContact O-CA 3.49Å; T163-K166 HydrophobicContact CG2-CB 4.1Å; T163-K166 HydrophobicContact CG2-CG 4.33Å; K166-M168 VanDerWaalsContact CE-CE 3.44Å; K166-M168 WeakPolarHBondContact CE-SD 3.26Å; K166-E176 IonicContact NZ-OE1 2.79Å; K166-E176 PolarHBondContact NZ-OE1 2.9Å; K166-E176 IonicContact NZ-OE2 3.35Å; K166-E176 PolarHBondContact NZ-OE2 3.43Å; K166-Y186 VanDerWaalsContact CE-OH 3.32Å; K166-Y186 WeakPolarHBondContact CE-OH 3.24Å; K166-Y186 PolarHBondContact NZ-OH 3.34Å
167	Y	98.4	Very high	95	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132.3	166.4	-68.3	-85.8	0	0	0	109.3	T99 P103 C122 V133 A134 V137 V149 G150 Y151 S152 L165	T99-Y167 HydrophobicContact CG2-CE1 4.14Å; T99-Y167 PolarHBondContact O-OH 2.73Å; P103-Y167 HydrophobicContact CG-CE1 4.15Å; P103-Y167 WeakPolarHBondContact CG-OH 3.31Å; C122-Y167 HydrophobicContact CB-CD1 3.66Å; C122-Y167 HydrophobicContact CB-CE1 3.69Å; C122-Y167 CarbonylContact O-C 3.59Å; C122-Y167 VanDerWaalsContact O-CA 3.32Å; C122-Y167 WeakPolarHBondContact O-CA 3.5Å; V133-Y167 HydrophobicContact CG1-CD1 3.33Å; V133-Y167 HydrophobicContact CG1-CD2 4.17Å; V133-Y167 HydrophobicContact CG1-CE1 3.63Å; V133-Y167 HydrophobicContact CG1-CE2 4.43Å; V133-Y167 HydrophobicContact CG1-CG 3.63Å; V133-Y167 HydrophobicContact CG2-CE1 4.32Å; A134-Y167 HydrophobicContact CB-CD2 3.81Å; A134-Y167 HydrophobicContact CB-CG 4.33Å; V137-Y167 HydrophobicContact CB-CE2 3.89Å; V137-Y167 HydrophobicContact CG1-CE2 4.03Å; V137-Y167 HydrophobicContact CG2-CE2 4.09Å; V137-Y167 WeakPolarHBondContact CG2-OH 3.19Å; V149-Y167 HydrophobicContact CG1-CD2 4.42Å; V149-Y167 HydrophobicContact CG1-CE2 4.33Å; G150-Y167 PolarHBondContact O-N 3.16Å; Y151-Y167 CarbonylContact C-O 3.47Å; Y151-Y167 WeakPolarHBondContact CA-O 3.28Å; Y151-Y167 WeakPolarHBondContact CB-O 3.46Å; S152-Y167 PolarHBondContact N-O 3.08Å; L165-Y167 HydrophobicContact CD1-CE2 4.26Å; L165-Y167 HydrophobicContact CD2-CE2 3.77Å; L165-Y167 HydrophobicContact CG-CD2 4.41Å; L165-Y167 HydrophobicContact CG-CE2 3.86Å
168	M	97.6	Very high	94.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	162	-177.4	60	-160.7	-50.5	0	0	111.6	A121 C122 T123 Q124 S152 K166 M172 L173 E176	A121-M168 HydrophobicContact CB-SD 4.29Å; C122-M168 PolarHBondContact O-N 3.24Å; T123-M168 CarbonylContact C-O 3.29Å; T123-M168 WeakPolarHBondContact CA-O 3.14Å; Q124-M168 PolarHBondContact N-O 2.88Å; S152-M168 WeakPolarHBondContact O-CA 3.07Å; S152-M168 WeakPolarHBondContact O-CB 3.19Å; K166-M168 VanDerWaalsContact CE-CE 3.44Å; K166-M168 WeakPolarHBondContact CE-SD 3.26Å; M168-M172 HydrophobicContact CB-CB 4.36Å; M168-M172 HydrophobicContact CE-CB 3.75Å; M168-L173 HydrophobicContact CE-CB 4.15Å; M168-L173 HydrophobicContact CG-CB 4.28Å; M168-L173 HydrophobicContact SD-CB 3.99Å; M168-L173 HydrophobicContact SD-CD1 3.99Å; M168-E176 HydrophobicContact CE-CG 4.46Å; M168-E176 VanDerWaalsContact CE-OE1 3.24Å; M168-E176 WeakPolarHBondContact CE-OE1 3.29Å
169	T	95.9	Very high	94.6	Very high	13 Å²	13	29.5 Å²	29.5	8%	0.08	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	145	167.6	50.8	0	0	0	0	110	Q124 R127 S152 I153 G171 M172 L173	Q124-T169 VanDerWaalsContact O-CA 3.28Å; Q124-T169 WeakPolarHBondContact O-CA 3.24Å; R127-T169 HydrophobicContact CG-CG2 3.95Å; S152-T169 PolarHBondContact O-N 3.4Å; I153-T169 HydrophobicContact CB-CG2 4.45Å; I153-T169 HydrophobicContact CG2-CG2 4Å; T169-G171 PolarHBondContact O-N 2.89Å; T169-M172 WeakPolarHBondContact O-CA 3.34Å; T169-M172 WeakPolarHBondContact O-CB 3.46Å; T169-M172 PolarHBondContact O-N 2.72Å; T169-M172 VanDerWaalsContact OG1-CG 3.26Å; T169-M172 WeakPolarHBondContact OG1-CG 3.35Å; T169-L173 PolarHBondContact O-N 2.73Å
170	D	95	Very high	94.5	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.07	18%	0.177	C	C	.	.	H	α-helix	trans	-42.9	-48.7	167.6	51.4	-0.7	0	0	0	112.3	M172 L173 L174 T198 A200 T201 L204	D170-M172 PolarHBondContact O-N 3.44Å; D170-L173 PolarHBondContact O-N 3.47Å; D170-L173 VanDerWaalsContact O-N 3.13Å; D170-L174 PolarHBondContact O-N 2.76Å; D170-T198 PolarHBondContact OD2-OG1 3.36Å; D170-A200 HydrophobicContact CB-CB 3.89Å; D170-T201 PolarHBondContact OD2-OG1 2.91Å; D170-T201 VanDerWaalsContact OD2-OG1 3.11Å; D170-L204 HydrophobicContact CB-CD1 3.93Å; D170-L204 WeakPolarHBondContact O-CD1 3.42Å
171	G	93	Very high	94.4	Very high	24 Å²	24	32 Å²	32	25%	0.247	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-20.9	177.5	0	0	0	0	0	115.3	T169 R175	T169-G171 PolarHBondContact O-N 2.89Å; G171-R175 PolarHBondContact O-N 3.2Å
172	M	94.5	Very high	94.4	Very high	26 Å²	26	28.9 Å²	28.9	13%	0.128	15%	0.154	C	C	.	.	H	α-helix	trans	-80.6	-37.5	173.6	-77.3	-58	-62.4	0	0	111.4	S152 R154 M168 T169 D170 L174 R175 E176	S152-M172 WeakPolarHBondContact OG-CE 3.46Å; R154-M172 HydrophobicContact CB-SD 4.42Å; M168-M172 HydrophobicContact CB-CB 4.36Å; M168-M172 HydrophobicContact CE-CB 3.75Å; T169-M172 WeakPolarHBondContact O-CA 3.34Å; T169-M172 WeakPolarHBondContact O-CB 3.46Å; T169-M172 PolarHBondContact O-N 2.72Å; T169-M172 VanDerWaalsContact OG1-CG 3.26Å; T169-M172 WeakPolarHBondContact OG1-CG 3.35Å; D170-M172 PolarHBondContact O-N 3.44Å; M172-L174 VanDerWaalsContact C-N 3.33Å; M172-R175 PolarHBondContact O-N 3.03Å; M172-R175 PolarHBondContact SD-NH1 2.82Å; M172-E176 PolarHBondContact O-N 2.59Å
173	L	96.4	Very high	94.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.6	-39.5	175.1	-177.4	64	0	0	0	110.6	A121 T123 M168 T169 D170 R175 E176 A177 L183 Y186 I189 L204	A121-L173 HydrophobicContact CB-CD1 4.37Å; T123-L173 HydrophobicContact CG2-CB 4Å; T123-L173 HydrophobicContact CG2-CD2 3.5Å; T123-L173 HydrophobicContact CG2-CG 4.4Å; M168-L173 HydrophobicContact CE-CB 4.15Å; M168-L173 HydrophobicContact CG-CB 4.28Å; M168-L173 HydrophobicContact SD-CB 3.99Å; M168-L173 HydrophobicContact SD-CD1 3.99Å; T169-L173 PolarHBondContact O-N 2.73Å; D170-L173 PolarHBondContact O-N 3.47Å; D170-L173 VanDerWaalsContact O-N 3.13Å; L173-R175 VanDerWaalsContact C-N 3.29Å; L173-R175 PolarHBondContact O-N 3.17Å; L173-E176 PolarHBondContact O-N 3.28Å; L173-E176 VanDerWaalsContact O-N 3.16Å; L173-A177 PolarHBondContact O-N 2.8Å; L173-L183 HydrophobicContact CD1-CD1 4.16Å; L173-L183 HydrophobicContact CD1-CD2 3.92Å; L173-L183 HydrophobicContact CG-CD1 4.36Å; L173-Y186 HydrophobicContact CD1-CD2 4.25Å; L173-Y186 HydrophobicContact CD1-CE2 3.85Å; L173-I189 HydrophobicContact CD2-CG2 3.66Å; L173-L204 HydrophobicContact CB-CD1 4.15Å; L173-L204 HydrophobicContact CB-CD2 4.38Å; L173-L204 HydrophobicContact CD2-CD1 4.13Å; L173-L204 HydrophobicContact CD2-CD2 4.17Å; L173-L204 HydrophobicContact CG-CD1 4.43Å; L173-L204 HydrophobicContact CG-CD2 4.06Å
174	L	93.5	Very high	94.4	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-61.2	-38.2	174.1	-175.6	57.8	0	0	0	112	D170 M172 A177 M178 A200 I203 L204 V207 L449	D170-L174 PolarHBondContact O-N 2.76Å; M172-L174 VanDerWaalsContact C-N 3.33Å; L174-A177 WeakPolarHBondContact O-CB 3.31Å; L174-A177 PolarHBondContact O-N 2.94Å; L174-M178 PolarHBondContact O-N 3.15Å; L174-A200 HydrophobicContact CD2-CB 4.49Å; L174-I203 HydrophobicContact CD1-CG2 3.74Å; L174-I203 HydrophobicContact CD2-CB 4.09Å; L174-I203 HydrophobicContact CD2-CG2 3.82Å; L174-I203 HydrophobicContact CG-CG2 4.47Å; L174-L204 HydrophobicContact CB-CD2 4.06Å; L174-L204 HydrophobicContact CB-CG 4.19Å; L174-L204 HydrophobicContact CD1-CD2 4.24Å; L174-V207 HydrophobicContact CD1-CG2 4.41Å; L174-L449 HydrophobicContact CD1-CD1 3.91Å
175	R	90.3	Very high	94.2	Very high	46 Å²	46	31.5 Å²	31.5	17%	0.174	16%	0.161	C	C	.	.	H	α-helix	trans	-67.4	-36.9	174.1	-177	174.8	-65.6	109.5	12.5	112.9	G171 M172 L173 A177 M178 P498	G171-R175 PolarHBondContact O-N 3.2Å; M172-R175 PolarHBondContact O-N 3.03Å; M172-R175 PolarHBondContact SD-NH1 2.82Å; L173-R175 VanDerWaalsContact C-N 3.29Å; L173-R175 PolarHBondContact O-N 3.17Å; R175-A177 VanDerWaalsContact C-N 3.3Å; R175-M178 HydrophobicContact CG-SD 4.45Å; R175-M178 WeakPolarHBondContact O-CB 3.44Å; R175-M178 PolarHBondContact O-N 3.28Å; R175-P498 VanDerWaalsContact CZ-CB 3.43Å; R175-P498 VanDerWaalsContact NH2-CB 3.29Å
176	E	93.4	Very high	94.2	Very high	41 Å²	41	31.6 Å²	31.6	19%	0.192	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-39.3	173.1	-76.3	-178.7	-159.7	0	0	111.4	K166 M168 M172 L173 M178 N179 D180 L183 Y186	K166-E176 IonicContact NZ-OE1 2.79Å; K166-E176 PolarHBondContact NZ-OE1 2.9Å; K166-E176 IonicContact NZ-OE2 3.35Å; K166-E176 PolarHBondContact NZ-OE2 3.43Å; M168-E176 HydrophobicContact CE-CG 4.46Å; M168-E176 VanDerWaalsContact CE-OE1 3.24Å; M168-E176 WeakPolarHBondContact CE-OE1 3.29Å; M172-E176 PolarHBondContact O-N 2.59Å; L173-E176 PolarHBondContact O-N 3.28Å; L173-E176 VanDerWaalsContact O-N 3.16Å; E176-M178 PolarHBondContact O-N 2.82Å; E176-N179 PolarHBondContact O-N 3.4Å; E176-D180 PolarHBondContact O-N 3.17Å; E176-L183 HydrophobicContact CB-CD2 4.22Å; E176-Y186 WeakPolarHBondContact OE2-CE2 3.37Å; E176-Y186 PolarHBondContact OE2-OH 3.46Å
177	A	92.5	Very high	94.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.2	-30.8	175.4	0	0	0	0	0	112.4	L173 L174 R175 N179 D180 P181 L183 L449	L173-A177 PolarHBondContact O-N 2.8Å; L174-A177 WeakPolarHBondContact O-CB 3.31Å; L174-A177 PolarHBondContact O-N 2.94Å; R175-A177 VanDerWaalsContact C-N 3.3Å; A177-N179 PolarHBondContact O-N 3.03Å; A177-D180 WeakPolarHBondContact CA-O 3.2Å; A177-D180 CarbonylContact O-C 3.55Å; A177-D180 VanDerWaalsContact O-C 3.23Å; A177-D180 PolarHBondContact O-N 3.42Å; A177-P181 WeakPolarHBondContact O-CA 3.45Å; A177-P181 VanDerWaalsContact O-N 3.1Å; A177-L183 HydrophobicContact CB-CD1 4.31Å; A177-L183 HydrophobicContact CB-CD2 3.94Å; A177-L183 HydrophobicContact CB-CG 4.18Å; A177-L449 HydrophobicContact CB-CD2 3.88Å; A177-L449 WeakPolarHBondContact O-CD2 3.42Å
178	M	87.3	Confident	94.1	Very high	11 Å²	11	31.7 Å²	31.7	5%	0.054	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-26.8	177.4	-64.4	164.9	60.2	0	0	113.6	L174 R175 E176 Q445 K448 L449 A495	L174-M178 PolarHBondContact O-N 3.15Å; R175-M178 HydrophobicContact CG-SD 4.45Å; R175-M178 WeakPolarHBondContact O-CB 3.44Å; R175-M178 PolarHBondContact O-N 3.28Å; E176-M178 PolarHBondContact O-N 2.82Å; M178-Q445 HydrophobicContact CE-CG 4.36Å; M178-Q445 HydrophobicContact SD-CB 4.33Å; M178-Q445 HydrophobicContact SD-CG 3.82Å; M178-K448 HydrophobicContact CB-CG 4.39Å; M178-K448 HydrophobicContact CE-CB 4.33Å; M178-K448 HydrophobicContact CE-CG 3.78Å; M178-K448 HydrophobicContact CG-CG 4.48Å; M178-L449 HydrophobicContact CG-CD2 4.34Å; M178-L449 HydrophobicContact CG-CG 4.35Å; M178-A495 HydrophobicContact CE-CB 3.74Å; M178-A495 WeakPolarHBondContact CE-O 3.26Å
179	N	88.2	Confident	94.1	Very high	104 Å²	104	31.7 Å²	31.7	56%	0.556	16%	0.164	S	C	*	.	H	α-helix	trans	-103.4	-25.7	178.1	-73.1	-76.3	0	0	0	112.5	E176 A177	E176-N179 PolarHBondContact O-N 3.4Å; A177-N179 PolarHBondContact O-N 3.03Å
180	D	93	Very high	94.3	Very high	46 Å²	46	31.1 Å²	31.1	25%	0.246	16%	0.16	C	C	.	.	S	Bend	trans	-130.9	80.6	177	177.7	5.5	0	0	0	108.7	E176 A177 L182 L183 E184	E176-D180 PolarHBondContact O-N 3.17Å; A177-D180 WeakPolarHBondContact CA-O 3.2Å; A177-D180 CarbonylContact O-C 3.55Å; A177-D180 VanDerWaalsContact O-C 3.23Å; A177-D180 PolarHBondContact O-N 3.42Å; D180-L182 PolarHBondContact O-N 3.35Å; D180-L182 VanDerWaalsContact O-N 3.14Å; D180-L183 WeakPolarHBondContact O-CA 3.34Å; D180-L183 PolarHBondContact O-N 3.09Å; D180-L183 WeakPolarHBondContact OD1-CA 3.4Å; D180-L183 PolarHBondContact OD1-N 3.5Å; D180-L183 WeakPolarHBondContact OD2-CA 3.39Å; D180-E184 VanDerWaalsContact CG-N 3.34Å; D180-E184 PolarHBondContact OD1-N 2.93Å; D180-E184 PolarHBondContact OD2-N 2.97Å
181	P	93	Very high	94.4	Very high	70 Å²	70	30.5 Å²	30.5	46%	0.455	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.7	-172	-27.5	36.1	0	0	0	114.5	A177 V211	A177-P181 WeakPolarHBondContact O-CA 3.45Å; A177-P181 VanDerWaalsContact O-N 3.1Å; P181-V211 VanDerWaalsContact O-CG2 3.31Å; P181-V211 WeakPolarHBondContact O-CG2 3.38Å
182	L	94.8	Very high	94.5	Very high	48 Å²	48	29.3 Å²	29.3	25%	0.251	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.9	177.8	-65.5	-176.9	0	0	0	112.9	D180 E184 V211 Q214 R215	D180-L182 PolarHBondContact O-N 3.35Å; D180-L182 VanDerWaalsContact O-N 3.14Å; L182-E184 VanDerWaalsContact C-N 3.27Å; L182-E184 HydrophobicContact CB-CG 3.94Å; L182-E184 PolarHBondContact O-N 3.18Å; L182-V211 HydrophobicContact CD2-CG1 4.38Å; L182-Q214 HydrophobicContact CD2-CB 4.17Å; L182-R215 WeakPolarHBondContact O-CD 3.39Å; L182-R215 PolarHBondContact O-NH1 3.15Å
183	L	96.3	Very high	94.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.			trans	52.3	45.2	179.9	-66.5	171.5	0	0	0	111.8	L173 E176 A177 D180 R185 Y186 I189 L208 R215	L173-L183 HydrophobicContact CD1-CD1 4.16Å; L173-L183 HydrophobicContact CD1-CD2 3.92Å; L173-L183 HydrophobicContact CG-CD1 4.36Å; E176-L183 HydrophobicContact CB-CD2 4.22Å; A177-L183 HydrophobicContact CB-CD1 4.31Å; A177-L183 HydrophobicContact CB-CD2 3.94Å; A177-L183 HydrophobicContact CB-CG 4.18Å; D180-L183 WeakPolarHBondContact O-CA 3.34Å; D180-L183 PolarHBondContact O-N 3.09Å; D180-L183 WeakPolarHBondContact OD1-CA 3.4Å; D180-L183 PolarHBondContact OD1-N 3.5Å; D180-L183 WeakPolarHBondContact OD2-CA 3.39Å; L183-R185 PolarHBondContact O-N 3.39Å; L183-R185 VanDerWaalsContact O-N 3.13Å; L183-Y186 HydrophobicContact CB-CD2 4.21Å; L183-Y186 HydrophobicContact CD2-CD2 4.46Å; L183-Y186 HydrophobicContact CD2-CE2 4.46Å; L183-Y186 PolarHBondContact O-N 3.36Å; L183-I189 HydrophobicContact CB-CD1 4Å; L183-I189 HydrophobicContact CD1-CD1 3.59Å; L183-I189 HydrophobicContact CG-CD1 4.43Å; L183-L208 HydrophobicContact CD1-CD2 3.86Å; L183-R215 PolarHBondContact O-NH1 3.44Å
184	E	94.9	Very high	94.2	Very high	113 Å²	113	28.3 Å²	28.3	53%	0.528	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.7	-171.9	-65.8	-169.1	156	0	0	114	R118 D180 L182 Y186 R215	R118-E184 PolarHBondContact NE-O 2.77Å; D180-E184 VanDerWaalsContact CG-N 3.34Å; D180-E184 PolarHBondContact OD1-N 2.93Å; D180-E184 PolarHBondContact OD2-N 2.97Å; L182-E184 VanDerWaalsContact C-N 3.27Å; L182-E184 HydrophobicContact CB-CG 3.94Å; L182-E184 PolarHBondContact O-N 3.18Å; E184-Y186 PolarHBondContact O-N 3.25Å; E184-R215 VanDerWaalsContact CA-NH1 3.28Å
185	R	94.6	Very high	93.9	Very high	103 Å²	103	29.5 Å²	29.5	39%	0.389	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.6	173.6	-172.8	174.2	-177.6	177.8	0.8	112.8	A119 L183	A119-R185 PolarHBondContact N-O 3.2Å; L183-R185 PolarHBondContact O-N 3.39Å; L183-R185 VanDerWaalsContact O-N 3.13Å
186	Y	97.3	Very high	93.8	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.9	-171.3	-54.1	-71.3	0	0	0	112.4	A119 A121 K166 L173 E176 L183 E184 I189 R215	A119-Y186 HydrophobicContact CB-CD1 3.9Å; A119-Y186 HydrophobicContact CB-CE1 4.09Å; A119-Y186 WeakPolarHBondContact O-CA 3.23Å; A121-Y186 HydrophobicContact CB-CD1 3.63Å; A121-Y186 HydrophobicContact CB-CD2 4.42Å; A121-Y186 HydrophobicContact CB-CE1 3.72Å; A121-Y186 HydrophobicContact CB-CE2 4.48Å; A121-Y186 HydrophobicContact CB-CG 4.01Å; K166-Y186 VanDerWaalsContact CE-OH 3.32Å; K166-Y186 WeakPolarHBondContact CE-OH 3.24Å; K166-Y186 PolarHBondContact NZ-OH 3.34Å; L173-Y186 HydrophobicContact CD1-CD2 4.25Å; L173-Y186 HydrophobicContact CD1-CE2 3.85Å; E176-Y186 WeakPolarHBondContact OE2-CE2 3.37Å; E176-Y186 PolarHBondContact OE2-OH 3.46Å; L183-Y186 HydrophobicContact CB-CD2 4.21Å; L183-Y186 HydrophobicContact CD2-CD2 4.46Å; L183-Y186 HydrophobicContact CD2-CE2 4.46Å; L183-Y186 PolarHBondContact O-N 3.36Å; E184-Y186 PolarHBondContact O-N 3.25Å; Y186-I189 HydrophobicContact CG-CG1 4.38Å; Y186-R215 PolarHBondContact O-NH1 3.48Å; Y186-R215 PolarHBondContact O-NH2 2.75Å
187	G	96.4	Very high	93.7	Very high	5 Å²	5	28.2 Å²	28.2	5%	0.052	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-27.1	171.2	0	0	0	0	0	112.2	A119 K219	A119-G187 PolarHBondContact O-N 2.96Å; G187-K219 PolarHBondContact O-N 3.48Å
188	V	98.3	Very high	93.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	133	173.9	-173.7	0	0	0	0	108.8	C106 M109 V110 V120 A121 I190 K219 I221	C106-V188 HydrophobicContact CB-CB 4.25Å; C106-V188 HydrophobicContact CB-CG1 4.1Å; C106-V188 HydrophobicContact CB-CG2 4.16Å; M109-V188 HydrophobicContact CE-CG2 3.36Å; V110-V188 HydrophobicContact CG2-CG2 3.62Å; V120-V188 WeakPolarHBondContact CA-O 3.07Å; V120-V188 HydrophobicContact CG1-CB 4.29Å; V120-V188 HydrophobicContact CG2-CB 4.25Å; A121-V188 PolarHBondContact N-O 3.03Å; V188-I190 HydrophobicContact CG1-CG1 4Å; V188-K219 WeakPolarHBondContact CA-O 3.36Å; V188-K219 HydrophobicContact CG1-CB 4.25Å; V188-K219 HydrophobicContact CG2-CB 4.11Å; V188-I221 HydrophobicContact CG1-CD1 4.06Å; V188-I221 HydrophobicContact CG1-CG1 4.28Å
189	I	98.6	Very high	93.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.8	171.4	-65.3	172.6	0	0	0	108.5	A121 L173 L183 Y186 L191 L208 L218 K219 V220 I221	A121-I189 HydrophobicContact CB-CG1 4.27Å; L173-I189 HydrophobicContact CD2-CG2 3.66Å; L183-I189 HydrophobicContact CB-CD1 4Å; L183-I189 HydrophobicContact CD1-CD1 3.59Å; L183-I189 HydrophobicContact CG-CD1 4.43Å; Y186-I189 HydrophobicContact CG-CG1 4.38Å; I189-L191 HydrophobicContact CG2-CD2 4.37Å; I189-L208 HydrophobicContact CD1-CD2 3.59Å; I189-L208 HydrophobicContact CG2-CD1 3.73Å; I189-L208 HydrophobicContact CG2-CD2 4.36Å; I189-L218 HydrophobicContact CD1-CD1 4Å; I189-L218 HydrophobicContact CD1-CD2 4.27Å; I189-L218 HydrophobicContact CG1-CD1 4.03Å; I189-K219 PolarHBondContact N-O 3.02Å; I189-V220 WeakPolarHBondContact O-CA 3.45Å; I189-I221 PolarHBondContact O-N 3.47Å
190	I	98.6	Very high	94.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.2	-178.7	-53.6	172.9	0	0	0	107.7	I102 P103 C106 V120 A121 C122 T123 V188 D192 I221 M223	I102-I190 HydrophobicContact CG2-CD1 4.29Å; P103-I190 HydrophobicContact CB-CD1 3.87Å; P103-I190 HydrophobicContact CG-CD1 3.74Å; C106-I190 HydrophobicContact CB-CD1 4.5Å; V120-I190 HydrophobicContact CG1-CD1 3.93Å; V120-I190 HydrophobicContact CG1-CG1 4.46Å; A121-I190 PolarHBondContact O-N 2.81Å; C122-I190 WeakPolarHBondContact CA-O 3.5Å; C122-I190 HydrophobicContact CB-CB 4.26Å; T123-I190 PolarHBondContact N-O 2.84Å; T123-I190 PolarHBondContact OG1-O 3.09Å; V188-I190 HydrophobicContact CG1-CG1 4Å; I190-D192 PolarHBondContact O-N 3.1Å; I190-I221 CarbonylContact C-O 3.59Å; I190-I221 WeakPolarHBondContact CA-O 3.43Å; I190-I221 HydrophobicContact CG1-CB 4.23Å; I190-I221 HydrophobicContact CG1-CD1 4.22Å; I190-I221 HydrophobicContact CG1-CG1 4.45Å; I190-I221 HydrophobicContact CG2-CB 4.33Å; I190-M223 HydrophobicContact CG2-CE 3.41Å; I190-M223 VanDerWaalsContact CG2-CE 3.41Å; I190-M223 HydrophobicContact CG2-CG 3.89Å; I190-M223 HydrophobicContact CG2-SD 3.86Å
191	L	97.7	Very high	94.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	91.3	170.3	-61.6	-173.7	0	0	0	109	T123 I189 L204 M205 L208 I221 V222 M223	T123-L191 HydrophobicContact CG2-CD2 4.05Å; T123-L191 WeakPolarHBondContact OG1-CA 3.41Å; I189-L191 HydrophobicContact CG2-CD2 4.37Å; L191-L204 HydrophobicContact CD2-CB 4.22Å; L191-L204 HydrophobicContact CD2-CD1 4.11Å; L191-M205 HydrophobicContact CD1-CB 4.47Å; L191-M205 HydrophobicContact CD1-CG 3.48Å; L191-M205 VanDerWaalsContact CD1-CG 3.48Å; L191-L208 HydrophobicContact CD1-CD1 3.95Å; L191-L208 HydrophobicContact CD2-CD1 3.9Å; L191-L208 HydrophobicContact CG-CD1 3.99Å; L191-I221 PolarHBondContact N-O 2.92Å; L191-V222 HydrophobicContact CD1-CG2 4.49Å; L191-M223 PolarHBondContact O-N 2.97Å
192	D	95.6	Very high	94.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	156	179.7	-160.8	15.4	0	0	0	112.9	T99 T123 Q124 I190 A194 M223	T99-D192 WeakPolarHBondContact CB-OD2 3.44Å; T99-D192 WeakPolarHBondContact CG2-OD2 3.42Å; T99-D192 PolarHBondContact OG1-OD2 2.85Å; T123-D192 VanDerWaalsContact O-CB 3.24Å; T123-D192 WeakPolarHBondContact O-CB 3.31Å; Q124-D192 VanDerWaalsContact NE2-CB 3.28Å; Q124-D192 PolarHBondContact NE2-OD2 2.78Å; I190-D192 PolarHBondContact O-N 3.1Å; D192-A194 PolarHBondContact O-N 3.2Å; D192-M223 HydrophobicContact CB-CE 3.71Å; D192-M223 WeakPolarHBondContact OD1-CB 3.36Å; D192-M223 VanDerWaalsContact OD1-CE 3.26Å; D192-M223 WeakPolarHBondContact OD1-CE 3.06Å
193	E	91.4	Very high	94.3	Very high	4 Å²	4	18 Å²	18	2%	0.019	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	37	-178.4	-54.2	-75.3	116.9	0	0	112.5	K98 P125 H195 E196 M223 T358 S359	K98-E193 IonicContact NZ-OE1 2.86Å; P125-E193 HydrophobicContact CG-CB 3.96Å; E193-H195 PolarHBondContact O-N 2.95Å; E193-H195 IonicContact OE2-CE1 2.88Å; E193-H195 PolarHBondContact OE2-CE1 3.32Å; E193-H195 VanDerWaalsContact OE2-CE1 3.25Å; E193-H195 IonicContact OE2-NE2 3.57Å; E193-E196 PolarHBondContact O-N 2.92Å; E193-M223 PolarHBondContact N-O 3Å; E193-T358 WeakPolarHBondContact OE2-CB 3.43Å; E193-S359 PolarHBondContact OE2-N 3.45Å
194	A	92.1	Very high	94.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-60	-18.3	-175.1	0	0	0	0	0	114	D192 E196 R197 T201 V222 M223 F232	D192-A194 PolarHBondContact O-N 3.2Å; A194-E196 PolarHBondContact O-N 3.28Å; A194-R197 WeakPolarHBondContact O-CD 3.44Å; A194-R197 PolarHBondContact O-N 3.42Å; A194-T201 HydrophobicContact CB-CG2 4.4Å; A194-V222 HydrophobicContact CB-CG1 3.58Å; A194-M223 PolarHBondContact N-O 3.48Å; A194-F232 HydrophobicContact CB-CE1 3.87Å; A194-F232 HydrophobicContact CB-CZ 4.02Å
195	H	88.4	Confident	94.3	Very high	28 Å²	28	12.7 Å²	12.7	13%	0.13	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-68.1	-16.4	173	62.7	-85	0	0	0	114.4	E193 R197 S224 A225 T226 Q400	E193-H195 PolarHBondContact O-N 2.95Å; E193-H195 IonicContact OE2-CE1 2.88Å; E193-H195 PolarHBondContact OE2-CE1 3.32Å; E193-H195 VanDerWaalsContact OE2-CE1 3.25Å; E193-H195 IonicContact OE2-NE2 3.57Å; H195-R197 PolarHBondContact O-N 2.9Å; H195-S224 WeakPolarHBondContact CB-OG 3.36Å; H195-A225 PolarHBondContact ND1-N 2.95Å; H195-T226 HydrophobicContact CB-CG2 4.28Å; H195-T226 WeakPolarHBondContact CB-OG1 3.3Å; H195-Q400 PolarHBondContact CD2-NE2 3.18Å; H195-Q400 PolarHBondContact NE2-NE2 3.04Å
196	E	87.1	Confident	94.3	Very high	41 Å²	41	8 Å²	8	19%	0.192	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-68	-18.3	171.7	-71.9	-158.8	-138.6	0	0	111.9	P125 R126 E193 A194 T198 T358	P125-E196 HydrophobicContact CB-CB 4.46Å; P125-E196 HydrophobicContact CG-CB 4.16Å; P125-E196 HydrophobicContact CG-CG 4.36Å; R126-E196 IonicContact CZ-OE2 2.71Å; R126-E196 IonicContact NE-OE1 3Å; R126-E196 PolarHBondContact NE-OE1 3.12Å; R126-E196 IonicContact NE-OE2 3.96Å; R126-E196 PolarHBondContact NE-OE2 3.26Å; R126-E196 IonicContact NH2-OE1 3.82Å; R126-E196 IonicContact NH2-OE2 3.71Å; R126-E196 PolarHBondContact NH2-OE2 2.99Å; E193-E196 PolarHBondContact O-N 2.92Å; A194-E196 PolarHBondContact O-N 3.28Å; E196-T198 HydrophobicContact CB-CG2 4.22Å; E196-T198 PolarHBondContact O-N 3.37Å; E196-T198 VanDerWaalsContact O-N 3.16Å; E196-T358 HydrophobicContact CG-CG2 4.27Å; E196-T358 VanDerWaalsContact OE1-CB 3.31Å; E196-T358 WeakPolarHBondContact OE1-CB 3.34Å; E196-T358 PolarHBondContact OE1-OG1 3.22Å
197	R	92.1	Very high	94.2	Very high	19 Å²	19	8.5 Å²	8.5	7%	0.072	5%	0.047	C	C	.	.			trans	46.5	47.1	174.9	-62.3	-61.3	-55.6	-75.3	-5.5	112.3	A194 H195 D202 P432 E433 M460 D461	A194-R197 WeakPolarHBondContact O-CD 3.44Å; A194-R197 PolarHBondContact O-N 3.42Å; H195-R197 PolarHBondContact O-N 2.9Å; R197-D202 IonicContact CZ-OD1 3.58Å; R197-D202 IonicContact CZ-OD2 3.51Å; R197-D202 IonicContact NE-OD1 3.54Å; R197-D202 PolarHBondContact NE-OD1 3.34Å; R197-D202 IonicContact NE-OD2 2.74Å; R197-D202 PolarHBondContact NE-OD2 3.43Å; R197-D202 IonicContact NH2-OD1 2.72Å; R197-D202 PolarHBondContact NH2-OD1 3.1Å; R197-D202 IonicContact NH2-OD2 2.57Å; R197-D202 PolarHBondContact NH2-OD2 2.86Å; R197-P432 HydrophobicContact CB-CB 4.02Å; R197-P432 HydrophobicContact CB-CG 4.31Å; R197-E433 WeakPolarHBondContact O-CB 3.39Å; R197-E433 PolarHBondContact O-N 2.71Å; R197-M460 VanDerWaalsContact CZ-SD 3.57Å; R197-D461 IonicContact CZ-OD2 2.77Å; R197-D461 IonicContact NH1-OD2 3.66Å; R197-D461 PolarHBondContact NH1-OD2 3.23Å; R197-D461 IonicContact NH2-OD2 3.11Å; R197-D461 PolarHBondContact NH2-OD2 3.44Å
198	T	92.2	Very high	94.2	Very high	17 Å²	17	8.2 Å²	8.2	10%	0.104	5%	0.045	C	C	.	.			trans	-67.1	159.4	174.9	61.5	0	0	0	0	110.4	P125 D170 E196 A200 T201 D202 E433	P125-T198 HydrophobicContact CB-CG2 3.84Å; P125-T198 HydrophobicContact CG-CG2 4.46Å; D170-T198 PolarHBondContact OD2-OG1 3.36Å; E196-T198 HydrophobicContact CB-CG2 4.22Å; E196-T198 PolarHBondContact O-N 3.37Å; E196-T198 VanDerWaalsContact O-N 3.16Å; T198-A200 VanDerWaalsContact C-N 3.35Å; T198-A200 PolarHBondContact O-N 3.26Å; T198-T201 PolarHBondContact O-N 3.12Å; T198-T201 VanDerWaalsContact OG1-CB 3.22Å; T198-T201 WeakPolarHBondContact OG1-CB 3.38Å; T198-T201 PolarHBondContact OG1-N 3.07Å; T198-T201 PolarHBondContact OG1-OG1 2.86Å; T198-D202 PolarHBondContact O-N 3.1Å; T198-D202 VanDerWaalsContact O-N 3.11Å; T198-E433 VanDerWaalsContact CA-OE2 3.31Å; T198-E433 WeakPolarHBondContact CA-OE2 3.26Å
199	L	91.8	Very high	94.1	Very high	28 Å²	28	9 Å²	9	15%	0.147	5%	0.048	C	C	.	.	H	α-helix	trans	-57.1	-49.3	179.7	-174.5	60.2	0	0	0	111.4	T201 D202 I203 E433 I434 L439 V442	L199-T201 PolarHBondContact O-N 3.01Å; L199-D202 PolarHBondContact O-N 3.33Å; L199-I203 WeakPolarHBondContact O-CG1 3.42Å; L199-I203 PolarHBondContact O-N 2.79Å; L199-E433 HydrophobicContact CB-CB 4.47Å; L199-E433 HydrophobicContact CB-CG 4.15Å; L199-E433 PolarHBondContact N-OE2 3.03Å; L199-I434 HydrophobicContact CD1-CB 3.79Å; L199-I434 HydrophobicContact CD1-CD1 4.43Å; L199-I434 HydrophobicContact CD1-CG1 3.79Å; L199-L439 HydrophobicContact CD1-CD2 3.77Å; L199-V442 HydrophobicContact CD1-CG2 3.83Å; L199-V442 HydrophobicContact CD2-CG2 3.36Å; L199-V442 HydrophobicContact CG-CG2 3.45Å; L199-V442 VanDerWaalsContact CG-CG2 3.45Å
200	A	93	Very high	93.8	Very high	16 Å²	16	12.8 Å²	12.8	13%	0.132	7%	0.066	C	C	.	.	H	α-helix	trans	-68.7	-34.1	-178.4	0	0	0	0	0	113.3	D170 L174 T198 I203 L204	D170-A200 HydrophobicContact CB-CB 3.89Å; L174-A200 HydrophobicContact CD2-CB 4.49Å; T198-A200 VanDerWaalsContact C-N 3.35Å; T198-A200 PolarHBondContact O-N 3.26Å; A200-I203 PolarHBondContact O-N 2.89Å; A200-L204 WeakPolarHBondContact O-CB 3.32Å; A200-L204 WeakPolarHBondContact O-CG 3.41Å; A200-L204 PolarHBondContact O-N 3.05Å
201	T	94.8	Very high	93.7	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-63.9	-44.7	175.6	-64.9	0	0	0	0	111.3	D170 A194 T198 L199 I203 L204 M205	D170-T201 PolarHBondContact OD2-OG1 2.91Å; D170-T201 VanDerWaalsContact OD2-OG1 3.11Å; A194-T201 HydrophobicContact CB-CG2 4.4Å; T198-T201 PolarHBondContact O-N 3.12Å; T198-T201 VanDerWaalsContact OG1-CB 3.22Å; T198-T201 WeakPolarHBondContact OG1-CB 3.38Å; T198-T201 PolarHBondContact OG1-N 3.07Å; T198-T201 PolarHBondContact OG1-OG1 2.86Å; L199-T201 PolarHBondContact O-N 3.01Å; T201-I203 VanDerWaalsContact C-N 3.33Å; T201-I203 PolarHBondContact O-N 3.12Å; T201-L204 PolarHBondContact O-N 3.05Å; T201-M205 HydrophobicContact CG2-CE 4.41Å; T201-M205 WeakPolarHBondContact O-CG 3.23Å; T201-M205 PolarHBondContact O-N 3.24Å
202	D	94.4	Very high	93.6	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.011	7%	0.071	C	C	.	.	H	α-helix	trans	-63.1	-40	179	-82	17.9	0	0	0	112.2	R197 T198 L199 M205 G206	R197-D202 IonicContact CZ-OD1 3.58Å; R197-D202 IonicContact CZ-OD2 3.51Å; R197-D202 IonicContact NE-OD1 3.54Å; R197-D202 PolarHBondContact NE-OD1 3.34Å; R197-D202 IonicContact NE-OD2 2.74Å; R197-D202 PolarHBondContact NE-OD2 3.43Å; R197-D202 IonicContact NH2-OD1 2.72Å; R197-D202 PolarHBondContact NH2-OD1 3.1Å; R197-D202 IonicContact NH2-OD2 2.57Å; R197-D202 PolarHBondContact NH2-OD2 2.86Å; T198-D202 PolarHBondContact O-N 3.1Å; T198-D202 VanDerWaalsContact O-N 3.11Å; L199-D202 PolarHBondContact O-N 3.33Å; D202-M205 HydrophobicContact CB-CE 4.38Å; D202-M205 PolarHBondContact O-N 3.36Å; D202-M205 WeakPolarHBondContact OD1-CE 3.44Å; D202-G206 PolarHBondContact O-N 3.33Å
203	I	94.3	Very high	93.6	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-66.7	-44.9	174.9	-59.7	-51.7	0	0	0	111.4	L174 L199 A200 T201 M205 G206 V207 I434 V442 L446 F459	L174-I203 HydrophobicContact CD1-CG2 3.74Å; L174-I203 HydrophobicContact CD2-CB 4.09Å; L174-I203 HydrophobicContact CD2-CG2 3.82Å; L174-I203 HydrophobicContact CG-CG2 4.47Å; L199-I203 WeakPolarHBondContact O-CG1 3.42Å; L199-I203 PolarHBondContact O-N 2.79Å; A200-I203 PolarHBondContact O-N 2.89Å; T201-I203 VanDerWaalsContact C-N 3.33Å; T201-I203 PolarHBondContact O-N 3.12Å; I203-M205 VanDerWaalsContact C-N 3.27Å; I203-M205 PolarHBondContact O-N 2.89Å; I203-G206 PolarHBondContact O-N 2.71Å; I203-V207 HydrophobicContact CG2-CG2 4.19Å; I203-V207 WeakPolarHBondContact O-CG2 3.36Å; I203-V207 PolarHBondContact O-N 2.9Å; I203-I434 HydrophobicContact CD1-CD1 4.2Å; I203-V442 HydrophobicContact CD1-CG1 3.5Å; I203-V442 VanDerWaalsContact CD1-CG1 3.5Å; I203-V442 HydrophobicContact CG1-CG1 3.7Å; I203-V442 HydrophobicContact CG1-CG2 4.34Å; I203-L446 HydrophobicContact CD1-CD1 4.27Å; I203-L446 HydrophobicContact CG2-CD2 3.73Å; I203-L446 HydrophobicContact CG2-CG 4.4Å; I203-F459 HydrophobicContact CD1-CD1 4.12Å; I203-F459 HydrophobicContact CD1-CE1 3.55Å
204	L	95.4	Very high	93.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.1	-36.9	176.7	-82.3	174.6	0	0	0	112.4	T123 D170 L173 L174 L191 A200 T201 G206 V207 L208	T123-L204 HydrophobicContact CG2-CD1 4.22Å; D170-L204 HydrophobicContact CB-CD1 3.93Å; D170-L204 WeakPolarHBondContact O-CD1 3.42Å; L173-L204 HydrophobicContact CB-CD1 4.15Å; L173-L204 HydrophobicContact CB-CD2 4.38Å; L173-L204 HydrophobicContact CD2-CD1 4.13Å; L173-L204 HydrophobicContact CD2-CD2 4.17Å; L173-L204 HydrophobicContact CG-CD1 4.43Å; L173-L204 HydrophobicContact CG-CD2 4.06Å; L174-L204 HydrophobicContact CB-CD2 4.06Å; L174-L204 HydrophobicContact CB-CG 4.19Å; L174-L204 HydrophobicContact CD1-CD2 4.24Å; L191-L204 HydrophobicContact CD2-CB 4.22Å; L191-L204 HydrophobicContact CD2-CD1 4.11Å; A200-L204 WeakPolarHBondContact O-CB 3.32Å; A200-L204 WeakPolarHBondContact O-CG 3.41Å; A200-L204 PolarHBondContact O-N 3.05Å; T201-L204 PolarHBondContact O-N 3.05Å; L204-G206 VanDerWaalsContact C-N 3.35Å; L204-G206 PolarHBondContact O-N 3.15Å; L204-V207 PolarHBondContact O-N 3.14Å; L204-L208 WeakPolarHBondContact O-CB 3.42Å; L204-L208 WeakPolarHBondContact O-CG 3.13Å; L204-L208 PolarHBondContact O-N 2.9Å
205	M	95.9	Very high	94	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.6	-45.8	175.9	-75.8	-169.2	-67.2	0	0	111.5	L191 T201 D202 I203 K209 F232 Y235 F236 M460	L191-M205 HydrophobicContact CD1-CB 4.47Å; L191-M205 HydrophobicContact CD1-CG 3.48Å; L191-M205 VanDerWaalsContact CD1-CG 3.48Å; T201-M205 HydrophobicContact CG2-CE 4.41Å; T201-M205 WeakPolarHBondContact O-CG 3.23Å; T201-M205 PolarHBondContact O-N 3.24Å; D202-M205 HydrophobicContact CB-CE 4.38Å; D202-M205 PolarHBondContact O-N 3.36Å; D202-M205 WeakPolarHBondContact OD1-CE 3.44Å; I203-M205 VanDerWaalsContact C-N 3.27Å; I203-M205 PolarHBondContact O-N 2.89Å; M205-K209 VanDerWaalsContact O-CB 3.32Å; M205-K209 WeakPolarHBondContact O-CB 3.4Å; M205-K209 PolarHBondContact O-N 3.07Å; M205-F232 HydrophobicContact CE-CE1 4.2Å; M205-F232 HydrophobicContact SD-CD1 3.87Å; M205-F232 HydrophobicContact SD-CE1 3.8Å; M205-Y235 HydrophobicContact CB-CE1 3.84Å; M205-F236 HydrophobicContact CB-CE2 4.41Å; M205-F236 HydrophobicContact CB-CZ 4.04Å; M205-F236 HydrophobicContact CG-CE2 4.14Å; M205-F236 HydrophobicContact CG-CZ 4.04Å; M205-F236 HydrophobicContact SD-CE2 4.17Å; M205-M460 HydrophobicContact CE-CB 4.4Å; M205-M460 HydrophobicContact CE-CE 3.83Å; M205-M460 HydrophobicContact CE-SD 3.97Å; M205-M460 HydrophobicContact SD-CE 3.66Å
206	G	95	Very high	94.2	Very high	5 Å²	5	30.8 Å²	30.8	5%	0.052	16%	0.156	C	C	.	.	H	α-helix	trans	-67.8	-42.8	177.4	0	0	0	0	0	113.2	D202 I203 L204 K209 E210 Y235	D202-G206 PolarHBondContact O-N 3.33Å; I203-G206 PolarHBondContact O-N 2.71Å; L204-G206 VanDerWaalsContact C-N 3.35Å; L204-G206 PolarHBondContact O-N 3.15Å; G206-K209 PolarHBondContact O-N 3.03Å; G206-E210 PolarHBondContact O-N 3.13Å; G206-Y235 WeakPolarHBondContact CA-OH 3.49Å; G206-Y235 PolarHBondContact N-OH 3.22Å
207	V	94.7	Very high	94.5	Very high	11 Å²	11	32.1 Å²	32.1	7%	0.067	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-49.2	175.6	172.8	0	0	0	0	110.6	L174 I203 L204 K209 E210 V211 L449 I451	L174-V207 HydrophobicContact CD1-CG2 4.41Å; I203-V207 HydrophobicContact CG2-CG2 4.19Å; I203-V207 WeakPolarHBondContact O-CG2 3.36Å; I203-V207 PolarHBondContact O-N 2.9Å; L204-V207 PolarHBondContact O-N 3.14Å; V207-K209 VanDerWaalsContact C-N 3.32Å; V207-K209 PolarHBondContact O-N 2.93Å; V207-E210 PolarHBondContact O-N 3.2Å; V207-E210 VanDerWaalsContact O-N 3.13Å; V207-V211 HydrophobicContact CG1-CG2 4.22Å; V207-V211 WeakPolarHBondContact O-CG2 3.4Å; V207-V211 PolarHBondContact O-N 2.87Å; V207-L449 HydrophobicContact CG2-CD1 3.85Å; V207-I451 HydrophobicContact CG2-CD1 4.27Å
208	L	96.4	Very high	94.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.2	-34.6	-178.8	-70.7	173	0	0	0	112.4	L183 I189 L191 L204 E210 V211 V212 L218 V220	L183-L208 HydrophobicContact CD1-CD2 3.86Å; I189-L208 HydrophobicContact CD1-CD2 3.59Å; I189-L208 HydrophobicContact CG2-CD1 3.73Å; I189-L208 HydrophobicContact CG2-CD2 4.36Å; L191-L208 HydrophobicContact CD1-CD1 3.95Å; L191-L208 HydrophobicContact CD2-CD1 3.9Å; L191-L208 HydrophobicContact CG-CD1 3.99Å; L204-L208 WeakPolarHBondContact O-CB 3.42Å; L204-L208 WeakPolarHBondContact O-CG 3.13Å; L204-L208 PolarHBondContact O-N 2.9Å; L208-E210 PolarHBondContact O-N 3.41Å; L208-V211 PolarHBondContact O-N 2.93Å; L208-V212 WeakPolarHBondContact O-CG1 3.19Å; L208-V212 WeakPolarHBondContact O-CG2 3.36Å; L208-V212 PolarHBondContact O-N 3.01Å; L208-L218 HydrophobicContact CD2-CD2 4.41Å; L208-V220 HydrophobicContact CB-CG2 4.45Å; L208-V220 HydrophobicContact CD1-CG1 4.36Å
209	K	95.8	Very high	95	Very high	15 Å²	15	32 Å²	32	7%	0.065	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-34.2	174.3	-171.9	174.8	177.2	-177.5	0	111.9	M205 G206 V207 V212 Y235 F236 D237 D458	M205-K209 VanDerWaalsContact O-CB 3.32Å; M205-K209 WeakPolarHBondContact O-CB 3.4Å; M205-K209 PolarHBondContact O-N 3.07Å; G206-K209 PolarHBondContact O-N 3.03Å; V207-K209 VanDerWaalsContact C-N 3.32Å; V207-K209 PolarHBondContact O-N 2.93Å; K209-V212 WeakPolarHBondContact O-CG2 3.37Å; K209-Y235 HydrophobicContact CD-CE1 4.06Å; K209-Y235 WeakPolarHBondContact CE-O 3.49Å; K209-Y235 PolarHBondContact NZ-O 3.14Å; K209-F236 HydrophobicContact CB-CE1 4.16Å; K209-D237 IonicContact NZ-OD1 3.56Å; K209-D458 WeakPolarHBondContact CD-OD2 3.48Å; K209-D458 VanDerWaalsContact CE-OD2 3.32Å; K209-D458 WeakPolarHBondContact CE-OD2 3.29Å; K209-D458 IonicContact NZ-OD2 2.92Å; K209-D458 PolarHBondContact NZ-OD2 2.71Å
210	E	94.1	Very high	95.3	Very high	81 Å²	81	30.8 Å²	30.8	38%	0.379	16%	0.156	S	C	.	.	H	α-helix	trans	-77.5	-42.4	173.1	-172.8	51.5	-144.3	0	0	112	G206 V207 L208 V212 R213 Q214	G206-E210 PolarHBondContact O-N 3.13Å; V207-E210 PolarHBondContact O-N 3.2Å; V207-E210 VanDerWaalsContact O-N 3.13Å; L208-E210 PolarHBondContact O-N 3.41Å; E210-V212 VanDerWaalsContact C-N 3.33Å; E210-V212 PolarHBondContact O-N 3.38Å; E210-R213 WeakPolarHBondContact O-CB 3.5Å; E210-R213 PolarHBondContact O-N 3.03Å; E210-R213 VanDerWaalsContact O-N 3.1Å; E210-R213 IonicContact OE2-CZ 3.19Å; E210-R213 IonicContact OE2-NH1 2.58Å; E210-R213 PolarHBondContact OE2-NH1 3.41Å; E210-Q214 PolarHBondContact OE1-NE2 2.98Å; E210-Q214 VanDerWaalsContact OE1-NE2 3.12Å
211	V	95.7	Very high	95.5	Very high	7 Å²	7	30 Å²	30	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-59.2	-41.3	178	174.7	0	0	0	0	111.7	P181 L182 V207 L208 R213 Q214 R215 L218	P181-V211 VanDerWaalsContact O-CG2 3.31Å; P181-V211 WeakPolarHBondContact O-CG2 3.38Å; L182-V211 HydrophobicContact CD2-CG1 4.38Å; V207-V211 HydrophobicContact CG1-CG2 4.22Å; V207-V211 WeakPolarHBondContact O-CG2 3.4Å; V207-V211 PolarHBondContact O-N 2.87Å; L208-V211 PolarHBondContact O-N 2.93Å; V211-R213 PolarHBondContact O-N 3.35Å; V211-Q214 CarbonylContact O-C 3.55Å; V211-Q214 PolarHBondContact O-N 3.11Å; V211-R215 HydrophobicContact CG1-CB 4.37Å; V211-R215 PolarHBondContact O-N 2.81Å; V211-L218 HydrophobicContact CG1-CD2 3.64Å
212	V	96.4	Very high	95.6	Very high	13 Å²	13	30 Å²	30	8%	0.079	15%	0.15	C	C	.	.	H	α-helix	trans	-64.4	-26.1	179.5	-66.7	0	0	0	0	113	Q86 L208 K209 E210 Q214 L218 V220	Q86-V212 HydrophobicContact CG-CB 4.46Å; Q86-V212 HydrophobicContact CG-CG1 4.48Å; Q86-V212 PolarHBondContact NE2-O 3.18Å; L208-V212 WeakPolarHBondContact O-CG1 3.19Å; L208-V212 WeakPolarHBondContact O-CG2 3.36Å; L208-V212 PolarHBondContact O-N 3.01Å; K209-V212 WeakPolarHBondContact O-CG2 3.37Å; E210-V212 VanDerWaalsContact C-N 3.33Å; E210-V212 PolarHBondContact O-N 3.38Å; V212-Q214 VanDerWaalsContact C-N 3.27Å; V212-Q214 PolarHBondContact O-N 2.89Å; V212-L218 HydrophobicContact CG1-CD2 4.32Å; V212-V220 HydrophobicContact CG1-CB 4.42Å; V212-V220 HydrophobicContact CG1-CG2 3.49Å; V212-V220 VanDerWaalsContact CG1-CG2 3.49Å
213	R	95.1	Very high	95.7	Very high	149 Å²	149	30 Å²	30	56%	0.562	15%	0.15	S	C	*	.	H	α-helix	trans	-68.5	-30	173.3	-65.8	174.6	177.5	157.9	-2.8	112	E210 V211	E210-R213 WeakPolarHBondContact O-CB 3.5Å; E210-R213 PolarHBondContact O-N 3.03Å; E210-R213 VanDerWaalsContact O-N 3.1Å; E210-R213 IonicContact OE2-CZ 3.19Å; E210-R213 IonicContact OE2-NH1 2.58Å; E210-R213 PolarHBondContact OE2-NH1 3.41Å; V211-R213 PolarHBondContact O-N 3.35Å
214	Q	95.7	Very high	95.4	Very high	121 Å²	121	29.9 Å²	29.9	57%	0.565	15%	0.15	S	C	*	.	H	α-helix	trans	-94.4	-26.7	-179	-56.8	-177.3	31.3	0	0	112.4	L182 E210 V211 V212	L182-Q214 HydrophobicContact CD2-CB 4.17Å; E210-Q214 PolarHBondContact OE1-NE2 2.98Å; E210-Q214 VanDerWaalsContact OE1-NE2 3.12Å; V211-Q214 CarbonylContact O-C 3.55Å; V211-Q214 PolarHBondContact O-N 3.11Å; V212-Q214 VanDerWaalsContact C-N 3.27Å; V212-Q214 PolarHBondContact O-N 2.89Å
215	R	95	Very high	94.7	Very high	14 Å²	14	30.8 Å²	30.8	5%	0.053	16%	0.157	C	C	.	.			trans	-122.3	88.5	-177.8	-81.6	-165.4	59.7	-158.1	-1.4	112.6	Q86 L182 L183 E184 Y186 V211 D217 L218	Q86-R215 PolarHBondContact NE2-O 2.85Å; L182-R215 WeakPolarHBondContact O-CD 3.39Å; L182-R215 PolarHBondContact O-NH1 3.15Å; L183-R215 PolarHBondContact O-NH1 3.44Å; E184-R215 VanDerWaalsContact CA-NH1 3.28Å; Y186-R215 PolarHBondContact O-NH1 3.48Å; Y186-R215 PolarHBondContact O-NH2 2.75Å; V211-R215 HydrophobicContact CG1-CB 4.37Å; V211-R215 PolarHBondContact O-N 2.81Å; R215-D217 WeakPolarHBondContact CB-OD1 3.34Å; R215-D217 IonicContact CZ-OD1 2.85Å; R215-D217 IonicContact NE-OD1 3.64Å; R215-D217 PolarHBondContact NE-OD1 2.96Å; R215-D217 IonicContact NH2-OD1 3.53Å; R215-D217 PolarHBondContact NH2-OD1 2.91Å; R215-D217 IonicContact NH2-OD2 2.85Å; R215-D217 PolarHBondContact O-N 3.21Å; R215-D217 VanDerWaalsContact O-N 3.14Å; R215-L218 HydrophobicContact CB-CB 4.13Å; R215-L218 PolarHBondContact O-N 2.9Å
216	S	93.9	Very high	93.6	Very high	106 Å²	106	32 Å²	32	74%	0.741	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.6	176.3	62.3	0	0	0	0	114.3
217	D	93.2	Very high	91.8	Very high	69 Å²	69	40.1 Å²	40.1	37%	0.369	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-15.5	-177.8	63.3	-10	0	0	0	113.9	R118 R215	R118-D217 IonicContact CZ-OD2 3.31Å; R118-D217 IonicContact NH1-OD1 3.48Å; R118-D217 IonicContact NH1-OD2 3.38Å; R118-D217 PolarHBondContact NH1-OD2 3.07Å; R118-D217 IonicContact NH2-OD2 3.98Å; R118-D217 PolarHBondContact NH2-OD2 3.15Å; R215-D217 WeakPolarHBondContact CB-OD1 3.34Å; R215-D217 IonicContact CZ-OD1 2.85Å; R215-D217 IonicContact NE-OD1 3.64Å; R215-D217 PolarHBondContact NE-OD1 2.96Å; R215-D217 IonicContact NH2-OD1 3.53Å; R215-D217 PolarHBondContact NH2-OD1 2.91Å; R215-D217 IonicContact NH2-OD2 2.85Å; R215-D217 PolarHBondContact O-N 3.21Å; R215-D217 VanDerWaalsContact O-N 3.14Å
218	L	96.3	Very high	90.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.			trans	-79.4	133.6	175.7	177.5	65	0	0	0	110.3	Q86 I189 L208 V211 V212 R215 V220	Q86-L218 WeakPolarHBondContact CG-O 3.48Å; I189-L218 HydrophobicContact CD1-CD1 4Å; I189-L218 HydrophobicContact CD1-CD2 4.27Å; I189-L218 HydrophobicContact CG1-CD1 4.03Å; L208-L218 HydrophobicContact CD2-CD2 4.41Å; V211-L218 HydrophobicContact CG1-CD2 3.64Å; V212-L218 HydrophobicContact CG1-CD2 4.32Å; R215-L218 HydrophobicContact CB-CB 4.13Å; R215-L218 PolarHBondContact O-N 2.9Å; L218-V220 HydrophobicContact CD2-CG2 4.26Å; L218-V220 HydrophobicContact CG-CG2 4.28Å
219	K	97.6	Very high	89.3	Confident	34 Å²	34	42.9 Å²	42.9	15%	0.148	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	137.3	168.8	-56.2	-64.6	-170	167.6	0	111.2	L82 M83 N85 Q86 M109 G187 V188 I189	L82-K219 HydrophobicContact CD1-CB 3.98Å; L82-K219 HydrophobicContact CD1-CD 4.43Å; L82-K219 HydrophobicContact CD1-CG 3.99Å; L82-K219 VanDerWaalsContact O-CE 3.23Å; L82-K219 WeakPolarHBondContact O-CE 3.39Å; L82-K219 PolarHBondContact O-NZ 3.31Å; M83-K219 PolarHBondContact O-NZ 2.72Å; N85-K219 WeakPolarHBondContact O-CD 3.25Å; N85-K219 PolarHBondContact O-NZ 2.89Å; Q86-K219 CarbonylContact O-C 3.57Å; Q86-K219 VanDerWaalsContact O-CA 3.27Å; Q86-K219 WeakPolarHBondContact O-CA 3.44Å; M109-K219 HydrophobicContact CE-CG 4.25Å; G187-K219 PolarHBondContact O-N 3.48Å; V188-K219 WeakPolarHBondContact CA-O 3.36Å; V188-K219 HydrophobicContact CG1-CB 4.25Å; V188-K219 HydrophobicContact CG2-CB 4.11Å; I189-K219 PolarHBondContact N-O 3.02Å
220	V	98.3	Very high	88.7	Confident	1 Å²	1	44 Å²	44	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.6	176.6	179.3	0	0	0	0	110.4	Q86 S87 F88 I189 L208 V212 L218	Q86-V220 PolarHBondContact O-N 2.91Å; S87-V220 VanDerWaalsContact CA-O 3.23Å; S87-V220 WeakPolarHBondContact CA-O 3.39Å; F88-V220 PolarHBondContact N-O 3.22Å; I189-V220 WeakPolarHBondContact O-CA 3.45Å; L208-V220 HydrophobicContact CB-CG2 4.45Å; L208-V220 HydrophobicContact CD1-CG1 4.36Å; V212-V220 HydrophobicContact CG1-CB 4.42Å; V212-V220 HydrophobicContact CG1-CG2 3.49Å; V212-V220 VanDerWaalsContact CG1-CG2 3.49Å; L218-V220 HydrophobicContact CD2-CG2 4.26Å; L218-V220 HydrophobicContact CG-CG2 4.28Å
221	I	98.2	Very high	88.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.4	178	-48.9	-179.5	0	0	0	108.4	F78 L82 F88 L90 I102 C106 V188 I189 I190 L191 M223	F78-I221 HydrophobicContact CE2-CD1 4.04Å; F78-I221 HydrophobicContact CZ-CD1 3.85Å; L82-I221 HydrophobicContact CD1-CD1 4.14Å; F88-I221 HydrophobicContact CD1-CG1 4.44Å; F88-I221 HydrophobicContact CD2-CG2 4.47Å; F88-I221 HydrophobicContact CE1-CD1 3.97Å; F88-I221 HydrophobicContact CE1-CG1 3.71Å; F88-I221 HydrophobicContact CE1-CG2 4.47Å; F88-I221 HydrophobicContact CE2-CG2 3.93Å; F88-I221 HydrophobicContact CZ-CB 4.47Å; F88-I221 HydrophobicContact CZ-CD1 3.73Å; F88-I221 HydrophobicContact CZ-CG1 3.81Å; F88-I221 HydrophobicContact CZ-CG2 3.94Å; L90-I221 HydrophobicContact CB-CG2 4.41Å; I102-I221 HydrophobicContact CG2-CD1 4.25Å; C106-I221 VanDerWaalsContact SG-CD1 3.59Å; V188-I221 HydrophobicContact CG1-CD1 4.06Å; V188-I221 HydrophobicContact CG1-CG1 4.28Å; I189-I221 PolarHBondContact O-N 3.47Å; I190-I221 CarbonylContact C-O 3.59Å; I190-I221 WeakPolarHBondContact CA-O 3.43Å; I190-I221 HydrophobicContact CG1-CB 4.23Å; I190-I221 HydrophobicContact CG1-CD1 4.22Å; I190-I221 HydrophobicContact CG1-CG1 4.45Å; I190-I221 HydrophobicContact CG2-CB 4.33Å; L191-I221 PolarHBondContact N-O 2.92Å; I221-M223 HydrophobicContact CG2-CG 3.89Å
222	V	97.2	Very high	88.3	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	114.7	174.2	-176.8	0	0	0	0	108.6	F88 V89 L90 L191 A194 F232 F236	F88-V222 PolarHBondContact O-N 2.88Å; V89-V222 CarbonylContact C-O 3.48Å; V89-V222 WeakPolarHBondContact CA-O 3.37Å; V89-V222 HydrophobicContact CG2-CB 4.38Å; L90-V222 PolarHBondContact N-O 3.26Å; L191-V222 HydrophobicContact CD1-CG2 4.49Å; A194-V222 HydrophobicContact CB-CG1 3.58Å; V222-F232 HydrophobicContact CG1-CB 4.47Å; V222-F232 HydrophobicContact CG1-CD1 3.84Å; V222-F232 HydrophobicContact CG1-CE1 4.36Å; V222-F232 HydrophobicContact CG1-CG 4.2Å; V222-F236 HydrophobicContact CG2-CD2 3.98Å; V222-F236 HydrophobicContact CG2-CE2 3.51Å; V222-F236 HydrophobicContact CG2-CZ 4.05Å
223	M	94.8	Very high	88.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.4	-179.3	-53.7	-164.7	-57.4	0	0	111.4	L90 K98 I102 I190 L191 D192 E193 A194 I221	L90-M223 HydrophobicContact CB-CG 4.21Å; L90-M223 HydrophobicContact CD2-CG 4.48Å; L90-M223 HydrophobicContact CD2-SD 4.42Å; L90-M223 CarbonylContact O-C 3.47Å; L90-M223 VanDerWaalsContact O-CA 3.27Å; L90-M223 WeakPolarHBondContact O-CA 3.42Å; K98-M223 HydrophobicContact CB-CE 4.19Å; K98-M223 HydrophobicContact CB-SD 4.01Å; I102-M223 HydrophobicContact CB-SD 3.85Å; I102-M223 HydrophobicContact CG1-SD 3.88Å; I102-M223 HydrophobicContact CG2-SD 3.81Å; I190-M223 HydrophobicContact CG2-CE 3.41Å; I190-M223 VanDerWaalsContact CG2-CE 3.41Å; I190-M223 HydrophobicContact CG2-CG 3.89Å; I190-M223 HydrophobicContact CG2-SD 3.86Å; L191-M223 PolarHBondContact O-N 2.97Å; D192-M223 HydrophobicContact CB-CE 3.71Å; D192-M223 WeakPolarHBondContact OD1-CB 3.36Å; D192-M223 VanDerWaalsContact OD1-CE 3.26Å; D192-M223 WeakPolarHBondContact OD1-CE 3.06Å; E193-M223 PolarHBondContact N-O 3Å; A194-M223 PolarHBondContact N-O 3.48Å; I221-M223 HydrophobicContact CG2-CG 3.89Å
224	S	88.6	Confident	88.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.7	-179.8	-179.1	0	0	0	0	112.2	L90 V91 G92 K98 H195 T226	L90-S224 PolarHBondContact O-N 2.88Å; V91-S224 WeakPolarHBondContact CA-O 3.4Å; G92-S224 PolarHBondContact N-O 3.42Å; K98-S224 WeakPolarHBondContact CE-O 3.47Å; H195-S224 WeakPolarHBondContact CB-OG 3.36Å; S224-T226 PolarHBondContact OG-N 3.25Å
225	A	81.4	Confident	88.2	Confident	19 Å²	19	37.2 Å²	37.2	16%	0.157	21%	0.214	C	C	.	.	S	Bend	trans	-103.3	-9.1	174.4	0	0	0	0	0	113.5	G92 T94 H195	G92-A225 WeakPolarHBondContact O-CA 3.5Å; T94-A225 HydrophobicContact CG2-CB 3.64Å; H195-A225 PolarHBondContact ND1-N 2.95Å
226	T	71.6	Confident	88.2	Confident	26 Å²	26	37.1 Å²	37.1	16%	0.16	21%	0.214	C	C	.	.	S	Bend	trans	-116.6	161.5	-173.3	62.8	0	0	0	0	112.7	H195 S224 D228	H195-T226 HydrophobicContact CB-CG2 4.28Å; H195-T226 WeakPolarHBondContact CB-OG1 3.3Å; S224-T226 PolarHBondContact OG-N 3.25Å; T226-D228 PolarHBondContact O-N 3.33Å
227	L	57.9	Low	88.2	Confident	174 Å²	174	37 Å²	37	91%	0.911	21%	0.205	S	C	*	.	S	Bend	trans	-72.9	0.2	-174.6	-101.1	140.1	0	0	0	115.3	A229	L227-A229 PolarHBondContact O-N 3.01Å
228	D	67.3	Low	88.3	Confident	63 Å²	63	39.6 Å²	39.6	34%	0.337	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	23.9	175.3	-151.6	6.7	0	0	0	112.9	T226 G230 K231 F232	T226-D228 PolarHBondContact O-N 3.33Å; D228-G230 PolarHBondContact O-N 3.47Å; D228-K231 PolarHBondContact O-N 3.11Å; D228-F232 VanDerWaalsContact O-CD2 3.31Å; D228-F232 WeakPolarHBondContact O-CD2 3.37Å
229	A	70.7	Confident	88.2	Confident	7 Å²	7	40 Å²	40	6%	0.058	22%	0.222	C	C	.	.	H	α-helix	trans	-55.8	-37	-178.9	0	0	0	0	0	112.5	V91 L227 K231 F232 Q233 L241	V91-A229 HydrophobicContact CG2-CB 3.53Å; L227-A229 PolarHBondContact O-N 3.01Å; A229-K231 VanDerWaalsContact C-N 3.26Å; A229-K231 PolarHBondContact O-N 3.45Å; A229-F232 PolarHBondContact O-N 3.15Å; A229-Q233 WeakPolarHBondContact O-CG 3.48Å; A229-Q233 PolarHBondContact O-N 3.31Å; A229-L241 HydrophobicContact CB-CD1 4.02Å; A229-L241 HydrophobicContact CB-CD2 4Å
230	G	83.1	Confident	88.2	Confident	37 Å²	37	40.4 Å²	40.4	38%	0.381	23%	0.228	S	C	.	.	H	α-helix	trans	-59.2	-37.8	-178.9	0	0	0	0	0	112.3	D228 Q233 V234	D228-G230 PolarHBondContact O-N 3.47Å; G230-Q233 PolarHBondContact O-N 3.37Å; G230-V234 VanDerWaalsContact O-CG2 3.28Å; G230-V234 WeakPolarHBondContact O-CG2 3.42Å; G230-V234 PolarHBondContact O-N 3.3Å
231	K	90.2	Very high	88	Confident	69 Å²	69	43 Å²	43	30%	0.3	24%	0.242	S	C	.	.	H	α-helix	trans	-65.7	-43.2	178.6	-165.3	176.7	-170.3	173.5	0	111.9	D228 A229 Y235 M460 D461	D228-K231 PolarHBondContact O-N 3.11Å; A229-K231 VanDerWaalsContact C-N 3.26Å; A229-K231 PolarHBondContact O-N 3.45Å; K231-Y235 VanDerWaalsContact O-CB 3.26Å; K231-Y235 WeakPolarHBondContact O-CB 3.39Å; K231-Y235 PolarHBondContact O-N 3.34Å; K231-M460 HydrophobicContact CD-CG 4.22Å; K231-M460 HydrophobicContact CD-SD 4.15Å; K231-M460 HydrophobicContact CG-CG 4.35Å; K231-M460 HydrophobicContact CG-SD 4.19Å; K231-D461 IonicContact NZ-OD1 3.28Å; K231-D461 PolarHBondContact NZ-OD1 3Å; K231-D461 IonicContact NZ-OD2 3.56Å; K231-D461 PolarHBondContact NZ-OD2 3.26Å
232	F	92.8	Very high	87.9	Confident	3 Å²	3	43.5 Å²	43.5	1%	0.013	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-41	176.4	-63.4	-75.8	0	0	0	111.9	V89 A194 M205 V222 D228 A229 Y235 F236 M460	V89-F232 HydrophobicContact CG1-CB 4.32Å; V89-F232 HydrophobicContact CG2-CB 3.68Å; A194-F232 HydrophobicContact CB-CE1 3.87Å; A194-F232 HydrophobicContact CB-CZ 4.02Å; M205-F232 HydrophobicContact CE-CE1 4.2Å; M205-F232 HydrophobicContact SD-CD1 3.87Å; M205-F232 HydrophobicContact SD-CE1 3.8Å; V222-F232 HydrophobicContact CG1-CB 4.47Å; V222-F232 HydrophobicContact CG1-CD1 3.84Å; V222-F232 HydrophobicContact CG1-CE1 4.36Å; V222-F232 HydrophobicContact CG1-CG 4.2Å; D228-F232 VanDerWaalsContact O-CD2 3.31Å; D228-F232 WeakPolarHBondContact O-CD2 3.37Å; A229-F232 PolarHBondContact O-N 3.15Å; F232-Y235 PolarHBondContact O-N 3.42Å; F232-F236 WeakPolarHBondContact O-CD2 3.35Å; F232-F236 PolarHBondContact O-N 3.48Å; F232-M460 HydrophobicContact CD1-CE 3.53Å; F232-M460 HydrophobicContact CD1-SD 4.11Å; F232-M460 HydrophobicContact CE1-CE 3.9Å; F232-M460 HydrophobicContact CE1-SD 3.93Å; F232-M460 HydrophobicContact CG-CE 4.34Å
233	Q	93.6	Very high	87.7	Confident	48 Å²	48	47.1 Å²	47.1	22%	0.224	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-50.9	177.1	-71	-176.2	-91.5	0	0	111.7	V89 A229 G230 Y235 F236 N238 C239 L241	V89-Q233 HydrophobicContact CB-CG 4.19Å; V89-Q233 HydrophobicContact CG2-CG 3.92Å; A229-Q233 WeakPolarHBondContact O-CG 3.48Å; A229-Q233 PolarHBondContact O-N 3.31Å; G230-Q233 PolarHBondContact O-N 3.37Å; Q233-Y235 VanDerWaalsContact C-N 3.28Å; Q233-Y235 PolarHBondContact O-N 2.94Å; Q233-F236 CarbonylContact O-C 3.58Å; Q233-F236 PolarHBondContact O-N 3.42Å; Q233-N238 WeakPolarHBondContact O-CA 3.19Å; Q233-N238 PolarHBondContact O-N 3.49Å; Q233-C239 PolarHBondContact NE2-O 3.4Å; Q233-C239 PolarHBondContact O-N 3.24Å; Q233-L241 VanDerWaalsContact CD-CB 3.41Å; Q233-L241 HydrophobicContact CG-CB 4.13Å; Q233-L241 VanDerWaalsContact NE2-CB 3.29Å
234	V	94.9	Very high	87.4	Confident	92 Å²	92	47.3 Å²	47.3	56%	0.558	27%	0.267	S	S	*	.	H	α-helix	trans	-60	-42.2	179.6	171.4	0	0	0	0	110.4	G230 F236 D237	G230-V234 VanDerWaalsContact O-CG2 3.28Å; G230-V234 WeakPolarHBondContact O-CG2 3.42Å; G230-V234 PolarHBondContact O-N 3.3Å; V234-F236 PolarHBondContact O-N 3.35Å; V234-D237 PolarHBondContact O-N 2.88Å
235	Y	95.3	Very high	87.2	Confident	18 Å²	18	50.5 Å²	50.5	7%	0.071	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-40.1	179.5	-179	-96.4	0	0	0	112.9	M205 G206 K209 K231 F232 Q233 D237 D458 M460	M205-Y235 HydrophobicContact CB-CE1 3.84Å; G206-Y235 WeakPolarHBondContact CA-OH 3.49Å; G206-Y235 PolarHBondContact N-OH 3.22Å; K209-Y235 HydrophobicContact CD-CE1 4.06Å; K209-Y235 WeakPolarHBondContact CE-O 3.49Å; K209-Y235 PolarHBondContact NZ-O 3.14Å; K231-Y235 VanDerWaalsContact O-CB 3.26Å; K231-Y235 WeakPolarHBondContact O-CB 3.39Å; K231-Y235 PolarHBondContact O-N 3.34Å; F232-Y235 PolarHBondContact O-N 3.42Å; Q233-Y235 VanDerWaalsContact C-N 3.28Å; Q233-Y235 PolarHBondContact O-N 2.94Å; Y235-D237 PolarHBondContact O-N 3.24Å; Y235-D458 VanDerWaalsContact CE2-O 3.32Å; Y235-D458 WeakPolarHBondContact CE2-O 3.46Å; Y235-D458 PolarHBondContact OH-O 3.49Å; Y235-M460 HydrophobicContact CD1-CE 3.66Å; Y235-M460 HydrophobicContact CD2-CB 3.91Å; Y235-M460 HydrophobicContact CD2-CE 4.15Å; Y235-M460 HydrophobicContact CD2-CG 4.32Å; Y235-M460 HydrophobicContact CE1-CE 4.39Å; Y235-M460 HydrophobicContact CE2-CB 3.91Å; Y235-M460 HydrophobicContact CG-CB 4.38Å; Y235-M460 HydrophobicContact CG-CE 3.51Å
236	F	95.1	Very high	86.6	Confident	11 Å²	11	51.1 Å²	51.1	5%	0.048	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	47.1	172.5	-73.5	-78.4	0	0	0	111.9	M205 K209 V222 F232 Q233 V234 N238 C239	M205-F236 HydrophobicContact CB-CE2 4.41Å; M205-F236 HydrophobicContact CB-CZ 4.04Å; M205-F236 HydrophobicContact CG-CE2 4.14Å; M205-F236 HydrophobicContact CG-CZ 4.04Å; M205-F236 HydrophobicContact SD-CE2 4.17Å; K209-F236 HydrophobicContact CB-CE1 4.16Å; V222-F236 HydrophobicContact CG2-CD2 3.98Å; V222-F236 HydrophobicContact CG2-CE2 3.51Å; V222-F236 HydrophobicContact CG2-CZ 4.05Å; F232-F236 WeakPolarHBondContact O-CD2 3.35Å; F232-F236 PolarHBondContact O-N 3.48Å; Q233-F236 CarbonylContact O-C 3.58Å; Q233-F236 PolarHBondContact O-N 3.42Å; V234-F236 PolarHBondContact O-N 3.35Å; F236-N238 PolarHBondContact O-N 3.11Å; F236-C239 HydrophobicContact CB-CB 4.28Å; F236-C239 VanDerWaalsContact O-CB 3.29Å; F236-C239 WeakPolarHBondContact O-CB 3.41Å; F236-C239 PolarHBondContact O-N 3.3Å
237	D	94.4	Very high	86.5	Confident	104 Å²	104	56.2 Å²	56.2	56%	0.556	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	43.6	171.5	-54.9	-42.7	0	0	0	114.4	K209 V234 Y235	K209-D237 IonicContact NZ-OD1 3.56Å; V234-D237 PolarHBondContact O-N 2.88Å; Y235-D237 PolarHBondContact O-N 3.24Å
238	N	94.5	Very high	87.1	Confident	123 Å²	123	50.9 Å²	50.9	66%	0.658	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	42.9	-177.4	-57	-69.9	0	0	0	113.6	Q233 F236	Q233-N238 WeakPolarHBondContact O-CA 3.19Å; Q233-N238 PolarHBondContact O-N 3.49Å; F236-N238 PolarHBondContact O-N 3.11Å
239	C	95.2	Very high	87.8	Confident	10 Å²	10	51.6 Å²	51.6	7%	0.068	29%	0.288	C	S	.	.			trans	-64.7	161.6	178.9	69.4	0	0	0	0	113.3	S87 Q233 F236	S87-C239 WeakPolarHBondContact O-CB 3.19Å; Q233-C239 PolarHBondContact NE2-O 3.4Å; Q233-C239 PolarHBondContact O-N 3.24Å; F236-C239 HydrophobicContact CB-CB 4.28Å; F236-C239 VanDerWaalsContact O-CB 3.29Å; F236-C239 WeakPolarHBondContact O-CB 3.41Å; F236-C239 PolarHBondContact O-N 3.3Å
240	P	96.8	Very high	88.6	Confident	41 Å²	41	55.8 Å²	55.8	27%	0.266	32%	0.315	S	S	.	.			trans	-61.5	154.2	179.5	-22.8	33.8	0	0	0	113.4	I81 N85 F88 V89	I81-P240 HydrophobicContact CG2-CB 4.22Å; N85-P240 HydrophobicContact CB-CG 4.24Å; N85-P240 WeakPolarHBondContact OD1-CG 3.45Å; F88-P240 HydrophobicContact CB-CB 4.21Å; F88-P240 WeakPolarHBondContact CB-O 3.32Å; V89-P240 PolarHBondContact N-O 2.92Å
241	L	94.8	Very high	89	Confident	57 Å²	57	55.9 Å²	55.9	30%	0.298	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.1	173	171.2	65.3	0	0	0	110.3	V89 V91 A229 Q233	V89-L241 HydrophobicContact CB-CD1 4.04Å; V89-L241 HydrophobicContact CG1-CD1 3.83Å; V89-L241 WeakPolarHBondContact O-CA 3.36Å; V91-L241 HydrophobicContact CB-CD1 4.16Å; V91-L241 HydrophobicContact CG2-CD1 3.6Å; A229-L241 HydrophobicContact CB-CD1 4.02Å; A229-L241 HydrophobicContact CB-CD2 4Å; Q233-L241 VanDerWaalsContact CD-CB 3.41Å; Q233-L241 HydrophobicContact CG-CB 4.13Å; Q233-L241 VanDerWaalsContact NE2-CB 3.29Å
242	L	94.8	Very high	89.3	Confident	10 Å²	10	58 Å²	58	5%	0.052	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	113.7	165.6	179.3	60.3	0	0	0	109.3	Y74 V77 F78 I81 V89 L90 V91 I244	Y74-L242 HydrophobicContact CD1-CD1 4.13Å; V77-L242 HydrophobicContact CG1-CD1 3.86Å; F78-L242 HydrophobicContact CB-CD2 3.87Å; F78-L242 HydrophobicContact CD2-CD2 4.11Å; I81-L242 HydrophobicContact CD1-CB 4.04Å; I81-L242 HydrophobicContact CD1-CD1 4.35Å; V89-L242 PolarHBondContact O-N 2.82Å; L90-L242 CarbonylContact C-O 3.36Å; L90-L242 WeakPolarHBondContact CA-O 3.37Å; L90-L242 HydrophobicContact CD1-CD2 4.05Å; L90-L242 HydrophobicContact CG-CB 4.49Å; L90-L242 HydrophobicContact CG-CD2 4.39Å; V91-L242 PolarHBondContact N-O 2.55Å; L242-I244 HydrophobicContact CG-CG1 4.39Å
243	T	92.9	Very high	89.5	Confident	78 Å²	78	60.9 Å²	60.9	48%	0.479	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.7	175.7	-56.8	0	0	0	0	110.1	V91	V91-T243 CarbonylContact O-C 3.39Å; V91-T243 WeakPolarHBondContact O-CA 3.33Å
244	I	89.8	Confident	89.7	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.021	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111.3	177.3	-53.8	179.4	0	0	0	107.3	P70 V71 Y74 L90 V91 L242	P70-I244 HydrophobicContact CB-CG2 3.91Å; V71-I244 HydrophobicContact CB-CD1 4.07Å; V71-I244 HydrophobicContact CG1-CD1 3.39Å; V71-I244 HydrophobicContact CG1-CG2 4.36Å; Y74-I244 HydrophobicContact CD2-CG2 4.16Å; Y74-I244 HydrophobicContact CE2-CG2 4.36Å; L90-I244 HydrophobicContact CD1-CD1 4.27Å; L90-I244 HydrophobicContact CD2-CD1 3.86Å; L90-I244 HydrophobicContact CG-CD1 4.2Å; V91-I244 PolarHBondContact O-N 3.11Å; L242-I244 HydrophobicContact CG-CG1 4.39Å
245	P	83.4	Confident	89.9	Confident	67 Å²	67	61.2 Å²	61.2	44%	0.435	33%	0.326	S	S	.	.			trans	-62.3	144.3	-179.9	24.7	-31.6	0	0	0	111.1	Y74	Y74-P245 HydrophobicContact CE2-CG 4.23Å; Y74-P245 VanDerWaalsContact OH-CD 3.22Å; Y74-P245 WeakPolarHBondContact OH-CD 3.32Å; Y74-P245 VanDerWaalsContact OH-CG 3.27Å; Y74-P245 WeakPolarHBondContact OH-CG 3.18Å
246	G	70.3	Confident	90	Very high	32 Å²	32	61.3 Å²	61.3	33%	0.33	33%	0.328	S	S	.	.			trans	-61.2	150.8	174.6	0	0	0	0	0	113.7	E93	E93-G246 WeakPolarHBondContact OE2-CA 3.4Å
247	R	68.8	Low	90	Very high	132 Å²	132	66.8 Å²	66.8	50%	0.498	37%	0.365	S	S	.	.			trans	-118.8	33	160.9	-72.3	-169.2	179.7	172.8	-6.3	110.7	R68 P70 E73 H249	R68-R247 PolarHBondContact O-NH1 2.83Å; P70-R247 HydrophobicContact CG-CB 4.09Å; P70-R247 HydrophobicContact CG-CG 3.88Å; E73-R247 IonicContact OE1-CZ 3.31Å; E73-R247 IonicContact OE1-NH2 3.96Å; E73-R247 PolarHBondContact OE1-NH2 2.84Å; E73-R247 IonicContact OE2-NH2 2.9Å; E73-R247 PolarHBondContact OE2-NH2 2.83Å; R247-H249 PolarHBondContact O-N 2.85Å
248	T	69.4	Low	90.1	Very high	63 Å²	63	68.9 Å²	68.9	39%	0.387	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-69	134.3	174.2	51.1	0	0	0	0	109.9	E93 G406	E93-T248 WeakPolarHBondContact OE2-CG2 3.44Å; E93-T248 PolarHBondContact OE2-OG1 3Å; T248-G406 CarbonylContact C-O 3.57Å; T248-G406 WeakPolarHBondContact CA-O 3.39Å
249	H	82.9	Confident	90.1	Very high	77 Å²	77	68 Å²	68	36%	0.356	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-66.2	154.1	164.3	-65.4	-85.4	0	0	0	110	R247 V251 G406 R409 P410	R247-H249 PolarHBondContact O-N 2.85Å; H249-V251 PolarHBondContact O-N 3.47Å; H249-G406 PolarHBondContact N-O 3.38Å; H249-R409 WeakPolarHBondContact CB-O 3.2Å; H249-R409 PolarHBondContact CD2-N 3.27Å; H249-R409 VanDerWaalsContact CG-C 3.49Å; H249-P410 HydrophobicContact CB-CB 4.47Å; H249-P410 HydrophobicContact CB-CG 4.17Å; H249-P410 VanDerWaalsContact CB-N 3.34Å
250	P	87.8	Confident	90	Very high	96 Å²	96	70.9 Å²	70.9	62%	0.623	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-58	140.2	179.2	23.2	-33.3	0	0	0	111.4	P410 G411	P250-P410 HydrophobicContact CG-CB 4.29Å; P250-P410 HydrophobicContact CG-CG 4.41Å; P250-P410 WeakPolarHBondContact O-CA 3.37Å; P250-G411 PolarHBondContact O-N 3.07Å; P250-G411 VanDerWaalsContact O-N 3.11Å
251	V	91.2	Very high	89.7	Confident	38 Å²	38	81 Å²	81	23%	0.23	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.4	175.4	-176.5	0	0	0	0	109	H249 I253 A402 A405 G406 G411 C413	H249-V251 PolarHBondContact O-N 3.47Å; V251-I253 HydrophobicContact CG1-CD1 4.02Å; V251-A402 HydrophobicContact CG1-CB 4.5Å; V251-A405 HydrophobicContact CG1-CB 4Å; V251-A405 HydrophobicContact CG2-CB 4.2Å; V251-G406 VanDerWaalsContact CG2-CA 3.5Å; V251-G411 CarbonylContact C-O 3.51Å; V251-G411 VanDerWaalsContact CA-O 3.27Å; V251-G411 WeakPolarHBondContact CA-O 3.29Å; V251-C413 HydrophobicContact CG1-CB 3.94Å
252	E	96.2	Very high	89.7	Confident	114 Å²	114	82.5 Å²	82.5	53%	0.533	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	132.4	173.6	-66	-179.1	-178.9	0	0	110.1	F254 G411 K412 C413	E252-F254 HydrophobicContact CB-CE2 3.79Å; E252-F254 HydrophobicContact CB-CZ 4.17Å; E252-F254 WeakPolarHBondContact OE2-CZ 3.49Å; E252-G411 PolarHBondContact N-O 3.42Å; E252-K412 HydrophobicContact CB-CG 4.37Å; E252-K412 CarbonylContact O-C 3.56Å; E252-K412 WeakPolarHBondContact O-CA 3.29Å; E252-C413 PolarHBondContact O-N 3.39Å
253	I	97.6	Very high	89.8	Confident	63 Å²	63	84.2 Å²	84.2	32%	0.323	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.5	-178.3	-51.6	-59	0	0	0	109.4	V251 Y255 A402 C413 R415	V251-I253 HydrophobicContact CG1-CD1 4.02Å; I253-Y255 HydrophobicContact CG2-CD2 4.31Å; I253-Y255 HydrophobicContact CG2-CE1 4.24Å; I253-Y255 HydrophobicContact CG2-CE2 3.68Å; I253-A402 HydrophobicContact CD1-CB 3.76Å; I253-C413 HydrophobicContact CD1-CB 3.73Å; I253-R415 HydrophobicContact CG2-CG 4.24Å
254	F	98.1	Very high	89.9	Confident	81 Å²	81	81.9 Å²	81.9	36%	0.355	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.9	174.1	-60.7	-87.1	0	0	0	109.7	E252 K412 C413 F414 R415	E252-F254 HydrophobicContact CB-CE2 3.79Å; E252-F254 HydrophobicContact CB-CZ 4.17Å; E252-F254 WeakPolarHBondContact OE2-CZ 3.49Å; F254-K412 HydrophobicContact CD2-CB 4.35Å; F254-K412 HydrophobicContact CE2-CB 3.92Å; F254-K412 HydrophobicContact CE2-CD 3.83Å; F254-K412 HydrophobicContact CE2-CG 3.87Å; F254-K412 HydrophobicContact CZ-CD 4.32Å; F254-C413 PolarHBondContact N-O 3.23Å; F254-F414 HydrophobicContact CB-CD1 3.85Å; F254-F414 HydrophobicContact CB-CE1 4.32Å; F254-F414 HydrophobicContact CD2-CD1 4.02Å; F254-F414 AromaticContact CD2-CE1 3.81Å; F254-F414 HydrophobicContact CD2-CE1 3.81Å; F254-F414 HydrophobicContact CD2-CZ 4.3Å; F254-F414 HydrophobicContact CE2-CE1 4.37Å; F254-F414 HydrophobicContact CG-CD1 4.08Å; F254-F414 HydrophobicContact CG-CE1 4.05Å; F254-R415 WeakPolarHBondContact O-CB 3.18Å; F254-R415 PolarHBondContact O-N 3.3Å
255	Y	98.3	Very high	90.2	Very high	66 Å²	66	85.2 Å²	85.2	26%	0.259	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	153.4	175.4	-64.5	-81.1	0	0	0	110	I253 R415 Y417 E419 Y422	I253-Y255 HydrophobicContact CG2-CD2 4.31Å; I253-Y255 HydrophobicContact CG2-CE1 4.24Å; I253-Y255 HydrophobicContact CG2-CE2 3.68Å; Y255-R415 HydrophobicContact CD1-CB 3.84Å; Y255-R415 HydrophobicContact CE1-CB 4.11Å; Y255-R415 HydrophobicContact CE1-CG 4.35Å; Y255-R415 PolarHBondContact OH-NH1 3.39Å; Y255-Y417 WeakPolarHBondContact CB-O 3.47Å; Y255-Y417 HydrophobicContact CD1-CD2 4.32Å; Y255-Y417 HydrophobicContact CD1-CE2 4.42Å; Y255-Y417 WeakPolarHBondContact CD1-O 3.5Å; Y255-Y417 HydrophobicContact CE1-CD2 4.41Å; Y255-Y417 HydrophobicContact CE1-CE2 4.14Å; Y255-E419 HydrophobicContact CD1-CB 4.24Å; Y255-E419 HydrophobicContact CD2-CB 3.79Å; Y255-E419 HydrophobicContact CD2-CG 4.2Å; Y255-E419 HydrophobicContact CE1-CB 4.41Å; Y255-E419 HydrophobicContact CE2-CB 3.98Å; Y255-E419 HydrophobicContact CE2-CG 3.89Å; Y255-E419 HydrophobicContact CG-CB 3.92Å; Y255-Y422 HydrophobicContact CE1-CG 4.26Å
256	T	97.4	Very high	90.8	Very high	20 Å²	20	82 Å²	82	12%	0.123	41%	0.412	C	S	.	.			trans	-74	147.5	168.8	58.7	0	0	0	0	110.3	E258 E260 R415 Y417 T418	T256-E258 VanDerWaalsContact C-N 3.31Å; T256-E258 WeakPolarHBondContact CB-O 3.33Å; T256-E258 PolarHBondContact OG1-O 3.49Å; T256-E260 HydrophobicContact CG2-CG 4.2Å; T256-R415 PolarHBondContact N-O 3.13Å; T256-Y417 PolarHBondContact N-O 3.22Å; T256-Y417 VanDerWaalsContact OG1-C 3.3Å; T256-Y417 WeakPolarHBondContact OG1-CA 3.1Å; T256-Y417 PolarHBondContact OG1-N 2.95Å; T256-T418 WeakPolarHBondContact O-CA 3.28Å
257	P	95.8	Very high	92.1	Very high	127 Å²	127	80.5 Å²	80.5	83%	0.825	40%	0.396	S	S	*	.	S	Bend	trans	-69.5	-32	177.8	27.5	-34	0	0	0	112.1
258	E	95.6	Very high	93.5	Very high	147 Å²	147	74.2 Å²	74.2	69%	0.687	37%	0.372	S	S	*	.	S	Bend	trans	-130.2	157.2	-179.2	-62.7	-174.3	174.9	0	0	110.9	T256 E260	T256-E258 VanDerWaalsContact C-N 3.31Å; T256-E258 WeakPolarHBondContact CB-O 3.33Å; T256-E258 PolarHBondContact OG1-O 3.49Å; E258-E260 PolarHBondContact O-N 3.08Å
259	P	95.6	Very high	94.8	Very high	104 Å²	104	76.8 Å²	76.8	68%	0.675	38%	0.375	S	S	*	.			trans	-64.8	130.6	174.9	-19.7	32.6	0	0	0	112.2	T418	P259-T418 HydrophobicContact CG-CG2 4.15Å
260	E	93.6	Very high	95.5	Very high	72 Å²	72	73.8 Å²	73.8	34%	0.336	36%	0.362	S	S	.	.			trans	-84.5	128	177	-67.8	-73.6	-171.7	0	0	110.7	T256 E258 A266 R269	T256-E260 HydrophobicContact CG2-CG 4.2Å; E258-E260 PolarHBondContact O-N 3.08Å; E260-A266 HydrophobicContact CB-CB 4.17Å; E260-A266 HydrophobicContact CG-CB 3.87Å; E260-R269 IonicContact OE1-CZ 2.78Å; E260-R269 IonicContact OE1-NH2 2.82Å; E260-R269 PolarHBondContact OE1-NH2 3.24Å
261	R	90	Very high	96	Very high	253 Å²	253	69.2 Å²	69.2	96%	0.955	33%	0.332	S	S	*	.	S	Bend	trans	-76.1	-40	178.9	-69.8	-174.2	179.8	-175.6	0.9	112.7
262	D	94.4	Very high	96.2	Very high	88 Å²	88	68.4 Å²	68.4	47%	0.471	33%	0.326	S	S	.	.			trans	-114.6	94.3	176.5	-169.3	-27.6	0	0	0	108.4	L264 E265 A266	D262-L264 PolarHBondContact O-N 2.8Å; D262-L264 WeakPolarHBondContact OD1-CB 3.35Å; D262-L264 PolarHBondContact OD1-N 3.15Å; D262-E265 HydrophobicContact CB-CB 4.08Å; D262-E265 PolarHBondContact O-N 2.91Å; D262-E265 PolarHBondContact OD1-N 3.16Å; D262-E265 VanDerWaalsContact OD1-N 3.09Å; D262-A266 PolarHBondContact O-N 3.31Å; D262-A266 VanDerWaalsContact O-N 3.14Å
263	Y	96	Very high	96.2	Very high	46 Å²	46	68.2 Å²	68.2	18%	0.18	33%	0.326	C	S	.	.	H	α-helix	trans	-70.8	-21.1	-177.9	68.4	-97.9	0	0	0	112.5	A267 L288 T289 E293 P371 F373	Y263-A267 WeakPolarHBondContact O-CB 3.28Å; Y263-A267 PolarHBondContact O-N 3.06Å; Y263-L288 HydrophobicContact CE2-CD2 4.36Å; Y263-T289 HydrophobicContact CE2-CG2 4.42Å; Y263-E293 WeakPolarHBondContact CE2-OE1 3.42Å; Y263-E293 PolarHBondContact OH-OE1 3.2Å; Y263-E293 VanDerWaalsContact OH-OE1 3.11Å; Y263-P371 HydrophobicContact CD2-CB 3.65Å; Y263-P371 HydrophobicContact CD2-CG 4.28Å; Y263-P371 HydrophobicContact CE2-CB 4.41Å; Y263-P371 HydrophobicContact CG-CB 4.18Å; Y263-F373 AromaticContact CD1-CD2 3.81Å; Y263-F373 HydrophobicContact CD1-CD2 3.81Å; Y263-F373 AromaticContact CD1-CE2 3.8Å; Y263-F373 HydrophobicContact CD1-CE2 3.8Å; Y263-F373 HydrophobicContact CD2-CD2 4.39Å; Y263-F373 AromaticContact CE1-CD2 4Å; Y263-F373 HydrophobicContact CE1-CD2 4Å; Y263-F373 HydrophobicContact CE1-CE2 4.29Å; Y263-F373 HydrophobicContact CG-CD2 4.03Å; Y263-F373 HydrophobicContact CG-CE2 4.19Å
264	L	95.6	Very high	96.1	Very high	29 Å²	29	65.5 Å²	65.5	15%	0.152	31%	0.312	C	S	.	.	H	α-helix	trans	-71.5	-44.7	176.7	-178.8	64.2	0	0	0	109.9	D262 A267 I268 L288 E293 A297	D262-L264 PolarHBondContact O-N 2.8Å; D262-L264 WeakPolarHBondContact OD1-CB 3.35Å; D262-L264 PolarHBondContact OD1-N 3.15Å; L264-A267 PolarHBondContact O-N 2.55Å; L264-I268 HydrophobicContact CD1-CD1 4.37Å; L264-I268 HydrophobicContact CG-CD1 4.18Å; L264-I268 VanDerWaalsContact O-CG1 3.3Å; L264-I268 WeakPolarHBondContact O-CG1 3.5Å; L264-I268 PolarHBondContact O-N 2.74Å; L264-L288 HydrophobicContact CD1-CD1 3.93Å; L264-L288 HydrophobicContact CD1-CD2 3.97Å; L264-E293 HydrophobicContact CD1-CG 3.85Å; L264-E293 HydrophobicContact CD2-CG 4.24Å; L264-A297 HydrophobicContact CD1-CB 3.96Å
265	E	96	Very high	96	Very high	74 Å²	74	62.3 Å²	62.3	35%	0.346	30%	0.298	S	S	.	.	H	α-helix	trans	-60.6	-48.4	173.4	-168.7	63.8	-159.8	0	0	111.6	D262 A267 I268 R269 R300	D262-E265 HydrophobicContact CB-CB 4.08Å; D262-E265 PolarHBondContact O-N 2.91Å; D262-E265 PolarHBondContact OD1-N 3.16Å; D262-E265 VanDerWaalsContact OD1-N 3.09Å; E265-A267 VanDerWaalsContact C-N 3.29Å; E265-A267 PolarHBondContact O-N 3.26Å; E265-I268 PolarHBondContact O-N 2.84Å; E265-R269 WeakPolarHBondContact O-CB 3.35Å; E265-R269 PolarHBondContact O-N 2.79Å; E265-R300 VanDerWaalsContact CD-NH2 3.34Å; E265-R300 IonicContact OE1-NH2 3.77Å; E265-R300 PolarHBondContact OE1-NH2 3.13Å; E265-R300 IonicContact OE2-CZ 2.87Å; E265-R300 IonicContact OE2-NH1 3.12Å; E265-R300 PolarHBondContact OE2-NH1 2.89Å; E265-R300 IonicContact OE2-NH2 3.81Å; E265-R300 PolarHBondContact OE2-NH2 2.85Å
266	A	97.1	Very high	95.7	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-41.3	177.9	0	0	0	0	0	111.5	E260 D262 R269 T270 L416	E260-A266 HydrophobicContact CB-CB 4.17Å; E260-A266 HydrophobicContact CG-CB 3.87Å; D262-A266 PolarHBondContact O-N 3.31Å; D262-A266 VanDerWaalsContact O-N 3.14Å; A266-R269 PolarHBondContact O-N 3.38Å; A266-T270 WeakPolarHBondContact O-CB 3.22Å; A266-T270 PolarHBondContact O-N 3.04Å; A266-T270 PolarHBondContact O-OG1 2.87Å; A266-L416 HydrophobicContact CB-CD1 4.03Å
267	A	97.8	Very high	95.4	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.8	-47.6	177.3	0	0	0	0	0	112.8	Y263 L264 E265 T270 V271 L286 P371 L416	Y263-A267 WeakPolarHBondContact O-CB 3.28Å; Y263-A267 PolarHBondContact O-N 3.06Å; L264-A267 PolarHBondContact O-N 2.55Å; E265-A267 VanDerWaalsContact C-N 3.29Å; E265-A267 PolarHBondContact O-N 3.26Å; A267-T270 PolarHBondContact O-N 2.81Å; A267-V271 WeakPolarHBondContact O-CG2 3.29Å; A267-V271 PolarHBondContact O-N 3.42Å; A267-L286 HydrophobicContact CB-CD1 3.65Å; A267-L286 HydrophobicContact CB-CD2 4.13Å; A267-P371 HydrophobicContact CB-CG 4.34Å; A267-L416 HydrophobicContact CB-CD1 3.81Å
268	I	97.3	Very high	95.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.3	-47.1	178.5	-66.5	165.1	0	0	0	109.8	L264 E265 T270 V271 I272 R300 I301 E304	L264-I268 HydrophobicContact CD1-CD1 4.37Å; L264-I268 HydrophobicContact CG-CD1 4.18Å; L264-I268 VanDerWaalsContact O-CG1 3.3Å; L264-I268 WeakPolarHBondContact O-CG1 3.5Å; L264-I268 PolarHBondContact O-N 2.74Å; E265-I268 PolarHBondContact O-N 2.84Å; I268-T270 VanDerWaalsContact C-N 3.32Å; I268-T270 PolarHBondContact O-N 2.92Å; I268-V271 WeakPolarHBondContact O-CB 3.31Å; I268-V271 PolarHBondContact O-N 2.77Å; I268-V271 VanDerWaalsContact O-N 3.14Å; I268-I272 WeakPolarHBondContact O-CG1 3.5Å; I268-I272 PolarHBondContact O-N 3.19Å; I268-R300 HydrophobicContact CD1-CB 3.88Å; I268-R300 HydrophobicContact CD1-CG 4.49Å; I268-I301 HydrophobicContact CB-CG1 4.38Å; I268-I301 HydrophobicContact CG1-CD1 4.46Å; I268-I301 HydrophobicContact CG1-CG1 4.05Å; I268-I301 HydrophobicContact CG2-CG1 3.94Å; I268-E304 WeakPolarHBondContact CG2-OE2 3.41Å
269	R	96.9	Very high	94.9	Very high	117 Å²	117	64.6 Å²	64.6	44%	0.442	31%	0.308	S	S	.	.	H	α-helix	trans	-56.2	-44.9	175.6	-176	-178	67.2	-145.3	1.1	112	E260 E265 A266 I272 Q273	E260-R269 IonicContact OE1-CZ 2.78Å; E260-R269 IonicContact OE1-NH2 2.82Å; E260-R269 PolarHBondContact OE1-NH2 3.24Å; E265-R269 WeakPolarHBondContact O-CB 3.35Å; E265-R269 PolarHBondContact O-N 2.79Å; A266-R269 PolarHBondContact O-N 3.38Å; R269-I272 PolarHBondContact O-N 2.66Å; R269-Q273 WeakPolarHBondContact O-CB 3.49Å; R269-Q273 PolarHBondContact O-N 2.84Å
270	T	97.8	Very high	94.6	Very high	14 Å²	14	65 Å²	65	9%	0.086	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-38.8	177.5	-61.2	0	0	0	0	112.2	A266 A267 I268 Q273 I274 I369 F414	A266-T270 WeakPolarHBondContact O-CB 3.22Å; A266-T270 PolarHBondContact O-N 3.04Å; A266-T270 PolarHBondContact O-OG1 2.87Å; A267-T270 PolarHBondContact O-N 2.81Å; I268-T270 VanDerWaalsContact C-N 3.32Å; I268-T270 PolarHBondContact O-N 2.92Å; T270-Q273 PolarHBondContact O-N 2.65Å; T270-I274 HydrophobicContact CG2-CD1 3.78Å; T270-I274 HydrophobicContact CG2-CG1 4.37Å; T270-I274 WeakPolarHBondContact O-CB 3.16Å; T270-I274 WeakPolarHBondContact O-CD1 3.43Å; T270-I274 VanDerWaalsContact O-CG1 3.27Å; T270-I274 WeakPolarHBondContact O-CG1 3.34Å; T270-I274 PolarHBondContact O-N 3.28Å; T270-I369 HydrophobicContact CG2-CD1 3.83Å; T270-I369 HydrophobicContact CG2-CG1 3.9Å; T270-I369 HydrophobicContact CG2-CG2 4.23Å; T270-F414 HydrophobicContact CG2-CB 3.98Å; T270-F414 HydrophobicContact CG2-CD2 4.45Å; T270-F414 HydrophobicContact CG2-CG 4.07Å
271	V	97.8	Very high	94.5	Very high	0 Å²	0	66 Å²	66	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.4	-49.3	173.5	171.5	0	0	0	0	110.8	A267 I268 I274 H275 V284 L286 I301 M315 V349 I369	A267-V271 WeakPolarHBondContact O-CG2 3.29Å; A267-V271 PolarHBondContact O-N 3.42Å; I268-V271 WeakPolarHBondContact O-CB 3.31Å; I268-V271 PolarHBondContact O-N 2.77Å; I268-V271 VanDerWaalsContact O-N 3.14Å; V271-I274 PolarHBondContact O-N 3.01Å; V271-H275 PolarHBondContact O-N 3.08Å; V271-V284 HydrophobicContact CG2-CG1 4.48Å; V271-L286 HydrophobicContact CG2-CD2 3.99Å; V271-I301 HydrophobicContact CB-CD1 4.47Å; V271-I301 HydrophobicContact CG1-CD1 4.3Å; V271-I301 HydrophobicContact CG1-CG1 4.5Å; V271-I301 HydrophobicContact CG1-CG2 3.98Å; V271-I301 HydrophobicContact CG2-CD1 4.22Å; V271-M315 HydrophobicContact CG1-CE 4.23Å; V271-M315 HydrophobicContact CG1-SD 4.37Å; V271-V349 HydrophobicContact CG1-CG1 4.04Å; V271-V349 HydrophobicContact CG1-CG2 4.15Å; V271-V349 HydrophobicContact CG2-CG1 4.45Å; V271-I369 HydrophobicContact CB-CD1 4.21Å; V271-I369 HydrophobicContact CG2-CD1 3.32Å
272	I	96	Very high	94.7	Very high	21 Å²	21	54.4 Å²	54.4	11%	0.108	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-46	-180	-59.8	-80.7	0	0	0	110.1	I268 R269 I274 H275 M276 E304 V305 L308	I268-I272 WeakPolarHBondContact O-CG1 3.5Å; I268-I272 PolarHBondContact O-N 3.19Å; R269-I272 PolarHBondContact O-N 2.66Å; I272-I274 PolarHBondContact O-N 3.38Å; I272-H275 PolarHBondContact O-N 2.93Å; I272-M276 HydrophobicContact CG2-CG 4.43Å; I272-M276 HydrophobicContact CG2-SD 3.98Å; I272-M276 WeakPolarHBondContact O-CG 3.28Å; I272-M276 PolarHBondContact O-N 2.96Å; I272-E304 HydrophobicContact CD1-CB 3.58Å; I272-E304 HydrophobicContact CG1-CB 4.43Å; I272-V305 HydrophobicContact CD1-CG2 3.73Å; I272-L308 HydrophobicContact CG2-CD1 4.13Å
273	Q	95.7	Very high	94.8	Very high	111 Å²	111	50.5 Å²	50.5	52%	0.519	24%	0.244	S	C	.	.	H	α-helix	trans	-62.3	-43.7	-179.6	-173	176.8	-4.3	0	0	112.3	R269 T270 H275 M276 C277	R269-Q273 WeakPolarHBondContact O-CB 3.49Å; R269-Q273 PolarHBondContact O-N 2.84Å; T270-Q273 PolarHBondContact O-N 2.65Å; Q273-H275 VanDerWaalsContact C-N 3.31Å; Q273-H275 PolarHBondContact O-N 3.32Å; Q273-M276 PolarHBondContact O-N 2.81Å; Q273-C277 VanDerWaalsContact O-CB 3.24Å; Q273-C277 WeakPolarHBondContact O-CB 3.31Å; Q273-C277 PolarHBondContact O-N 2.86Å
274	I	96.1	Very high	94.9	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-44.8	174.6	-70.9	162.3	0	0	0	110.2	T270 V271 I272 M276 E278 V284 F367 I369 F414	T270-I274 HydrophobicContact CG2-CD1 3.78Å; T270-I274 HydrophobicContact CG2-CG1 4.37Å; T270-I274 WeakPolarHBondContact O-CB 3.16Å; T270-I274 WeakPolarHBondContact O-CD1 3.43Å; T270-I274 VanDerWaalsContact O-CG1 3.27Å; T270-I274 WeakPolarHBondContact O-CG1 3.34Å; T270-I274 PolarHBondContact O-N 3.28Å; V271-I274 PolarHBondContact O-N 3.01Å; I272-I274 PolarHBondContact O-N 3.38Å; I274-M276 VanDerWaalsContact C-N 3.27Å; I274-M276 PolarHBondContact O-N 3.11Å; I274-E278 HydrophobicContact CG2-CG 4.16Å; I274-E278 WeakPolarHBondContact O-CB 3.31Å; I274-E278 PolarHBondContact O-N 2.86Å; I274-V284 HydrophobicContact CG2-CG2 3.83Å; I274-F367 HydrophobicContact CD1-CB 4.21Å; I274-F367 HydrophobicContact CG2-CB 4.11Å; I274-F367 HydrophobicContact CG2-CD1 4.07Å; I274-F367 HydrophobicContact CG2-CD2 3.83Å; I274-F367 HydrophobicContact CG2-CE1 4.48Å; I274-F367 HydrophobicContact CG2-CE2 4.28Å; I274-F367 HydrophobicContact CG2-CG 3.72Å; I274-I369 HydrophobicContact CD1-CD1 3.85Å; I274-I369 HydrophobicContact CD1-CG1 3.87Å; I274-F414 HydrophobicContact CD1-CD2 3.58Å; I274-F414 HydrophobicContact CD1-CE2 3.47Å; I274-F414 VanDerWaalsContact CD1-CE2 3.47Å; I274-F414 HydrophobicContact CD1-CG 4.43Å; I274-F414 HydrophobicContact CD1-CZ 4.26Å; I274-F414 HydrophobicContact CG1-CD2 4.29Å; I274-F414 HydrophobicContact CG1-CE2 3.74Å; I274-F414 HydrophobicContact CG1-CZ 4.08Å
275	H	94.7	Very high	95	Very high	14 Å²	14	47.1 Å²	47.1	7%	0.065	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-34.1	-178.5	-169	62.9	0	0	0	113.1	V271 I272 Q273 V312 G313 M315 R347	V271-H275 PolarHBondContact O-N 3.08Å; I272-H275 PolarHBondContact O-N 2.93Å; Q273-H275 VanDerWaalsContact C-N 3.31Å; Q273-H275 PolarHBondContact O-N 3.32Å; H275-V312 VanDerWaalsContact CD2-CG1 3.42Å; H275-V312 WeakPolarHBondContact CD2-CG1 3.33Å; H275-V312 WeakPolarHBondContact NE2-CG1 3.01Å; H275-G313 PolarHBondContact CE1-O 2.99Å; H275-G313 PolarHBondContact NE2-O 3.13Å; H275-M315 HydrophobicContact CB-CE 3.46Å; H275-M315 VanDerWaalsContact CB-CE 3.46Å; H275-M315 WeakPolarHBondContact ND1-CE 3.41Å; H275-R347 VanDerWaalsContact ND1-CD 3.34Å; H275-R347 WeakPolarHBondContact ND1-CD 3.22Å
276	M	91.7	Very high	95.1	Very high	98 Å²	98	43.6 Å²	43.6	48%	0.483	21%	0.212	S	C	.	.	H	α-helix	trans	-91.9	-34.7	-176.8	-63.6	-172.5	100.5	0	0	114.5	I272 Q273 I274 L308 V312	I272-M276 HydrophobicContact CG2-CG 4.43Å; I272-M276 HydrophobicContact CG2-SD 3.98Å; I272-M276 WeakPolarHBondContact O-CG 3.28Å; I272-M276 PolarHBondContact O-N 2.96Å; Q273-M276 PolarHBondContact O-N 2.81Å; I274-M276 VanDerWaalsContact C-N 3.27Å; I274-M276 PolarHBondContact O-N 3.11Å; M276-L308 HydrophobicContact CE-CB 4.23Å; M276-L308 HydrophobicContact CE-CD1 3.84Å; M276-L308 HydrophobicContact CE-CD2 3.67Å; M276-L308 HydrophobicContact CE-CG 4.1Å; M276-L308 HydrophobicContact CG-CD1 4.3Å; M276-L308 HydrophobicContact SD-CD1 3.77Å; M276-L308 HydrophobicContact SD-CD2 4Å; M276-L308 HydrophobicContact SD-CG 4.47Å; M276-V312 HydrophobicContact CE-CG2 3.9Å
277	C	92.6	Very high	95.1	Very high	87 Å²	87	43.6 Å²	43.6	59%	0.588	21%	0.212	S	C	*	.	H	α-helix	trans	-105.1	-24.8	-167.5	-60.4	0	0	0	0	114.2	Q273 E279	Q273-C277 VanDerWaalsContact O-CB 3.24Å; Q273-C277 WeakPolarHBondContact O-CB 3.31Å; Q273-C277 PolarHBondContact O-N 2.86Å; C277-E279 PolarHBondContact O-N 2.8Å
278	E	93.1	Very high	95.1	Very high	41 Å²	41	43.7 Å²	43.7	19%	0.192	21%	0.213	C	C	.	.			trans	-78.9	122.5	179.2	-69.7	-73.6	166.7	0	0	110.1	I274 R347 F367 K412	I274-E278 HydrophobicContact CG2-CG 4.16Å; I274-E278 WeakPolarHBondContact O-CB 3.31Å; I274-E278 PolarHBondContact O-N 2.86Å; E278-R347 PolarHBondContact O-NH2 2.78Å; E278-F367 HydrophobicContact CB-CE1 4.13Å; E278-F367 HydrophobicContact CB-CZ 3.88Å; E278-F367 HydrophobicContact CG-CD1 4.43Å; E278-F367 HydrophobicContact CG-CE1 3.72Å; E278-F367 HydrophobicContact CG-CZ 4.01Å; E278-K412 IonicContact OE1-NZ 2.68Å; E278-K412 PolarHBondContact OE1-NZ 3.1Å; E278-K412 IonicContact OE2-NZ 3.72Å; E278-K412 PolarHBondContact OE2-NZ 3.47Å
279	E	87.6	Confident	95	Very high	183 Å²	183	44.2 Å²	44.2	86%	0.855	22%	0.216	S	C	*	.			trans	-79.1	-19.8	179	-61.8	-176.5	176.1	0	0	112.5	C277 I345	C277-E279 PolarHBondContact O-N 2.8Å; E279-I345 WeakPolarHBondContact O-CD1 3.34Å
280	E	89.7	Confident	94.6	Very high	112 Å²	112	39 Å²	39	52%	0.523	20%	0.199	S	C	.	.	S	Bend	trans	-83.7	140.4	-178.9	-64.9	-171.4	173.1	0	0	112.2	R347	E280-R347 VanDerWaalsContact O-CZ 3.25Å; E280-R347 PolarHBondContact O-NH1 2.77Å; E280-R347 PolarHBondContact O-NH2 3.49Å
281	E	91.6	Very high	94.1	Very high	94 Å²	94	41.7 Å²	41.7	44%	0.439	21%	0.211	S	C	.	.			trans	-66.7	141.6	171.2	-64.9	-172.6	168.2	0	0	111.8	N339 I345 R409	E281-N339 PolarHBondContact OE1-ND2 2.96Å; E281-I345 HydrophobicContact CB-CG2 4.5Å; E281-I345 HydrophobicContact CG-CD1 4.3Å; E281-I345 HydrophobicContact CG-CG1 4.45Å; E281-I345 HydrophobicContact CG-CG2 4.07Å; E281-R409 PolarHBondContact O-NH1 3.37Å; E281-R409 VanDerWaalsContact O-NH1 3.08Å
282	G	93.7	Very high	93.4	Very high	8 Å²	8	48.9 Å²	48.9	8%	0.082	24%	0.244	C	C	.	.			trans	163.6	147.2	178.2	0	0	0	0	0	112.8	R347	G282-R347 VanDerWaalsContact N-NH1 3.16Å; G282-R347 PolarHBondContact O-NH1 3.1Å
283	D	96.4	Very high	93.1	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.032	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	155.5	178	-62.4	-32.7	0	0	0	111.1	P336 K348 G364 V365 V366 F367	D283-P336 WeakPolarHBondContact OD1-CB 3.43Å; D283-K348 WeakPolarHBondContact CA-O 3.48Å; D283-K348 HydrophobicContact CB-CB 4.21Å; D283-K348 WeakPolarHBondContact CB-O 3.42Å; D283-K348 VanDerWaalsContact OD1-CB 3.31Å; D283-K348 WeakPolarHBondContact OD1-CB 3.39Å; D283-K348 PolarHBondContact OD1-N 2.85Å; D283-K348 WeakPolarHBondContact OD2-CE 3.43Å; D283-K348 IonicContact OD2-NZ 2.7Å; D283-G364 WeakPolarHBondContact CB-O 3.31Å; D283-G364 PolarHBondContact N-O 2.74Å; D283-V365 HydrophobicContact CB-CG2 4.32Å; D283-V366 PolarHBondContact O-N 3.45Å; D283-F367 PolarHBondContact O-N 3.33Å; D283-F367 VanDerWaalsContact O-N 3.11Å
284	V	97.6	Very high	93.1	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.2	-179.6	-173.2	0	0	0	0	110	V271 I274 K348 V349 V350 F367 I369	V271-V284 HydrophobicContact CG2-CG1 4.48Å; I274-V284 HydrophobicContact CG2-CG2 3.83Å; V284-K348 PolarHBondContact N-O 2.93Å; V284-V349 HydrophobicContact CB-CB 4.44Å; V284-V349 HydrophobicContact CB-CG1 4.22Å; V284-V349 HydrophobicContact CB-CG2 4.02Å; V284-V349 HydrophobicContact CG1-CG1 4.43Å; V284-V349 HydrophobicContact CG2-CG2 4.19Å; V284-V349 WeakPolarHBondContact O-CA 3.38Å; V284-V350 PolarHBondContact O-N 3.46Å; V284-F367 CarbonylContact C-O 3.56Å; V284-F367 WeakPolarHBondContact CA-O 3.48Å; V284-F367 HydrophobicContact CG1-CB 4.5Å; V284-F367 HydrophobicContact CG2-CB 4.21Å; V284-F367 HydrophobicContact CG2-CD2 4.33Å; V284-I369 HydrophobicContact CG1-CD1 3.76Å; V284-I369 HydrophobicContact CG1-CG1 4.16Å
285	L	97.7	Very high	92.8	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112.9	169	177.6	61	0	0	0	109.8	F287 V350 A356 I362 V365 F367 V368 I369 R404	L285-F287 HydrophobicContact CD2-CE2 3.82Å; L285-F287 HydrophobicContact CD2-CZ 3.65Å; L285-F287 HydrophobicContact CG-CE2 3.95Å; L285-F287 HydrophobicContact CG-CZ 4.08Å; L285-V350 WeakPolarHBondContact CA-O 3.28Å; L285-V350 HydrophobicContact CD1-CB 4Å; L285-V350 HydrophobicContact CD1-CG1 3.99Å; L285-A356 HydrophobicContact CD1-CB 3.95Å; L285-A356 HydrophobicContact CD2-CB 4.14Å; L285-I362 HydrophobicContact CD1-CD1 4.39Å; L285-V365 HydrophobicContact CB-CG1 3.73Å; L285-V365 HydrophobicContact CB-CG2 4.31Å; L285-F367 PolarHBondContact N-O 3.36Å; L285-V368 HydrophobicContact CB-CG2 4.36Å; L285-V368 CarbonylContact O-C 3.23Å; L285-V368 WeakPolarHBondContact O-CA 3.18Å; L285-I369 PolarHBondContact O-N 2.77Å; L285-R404 HydrophobicContact CD2-CB 3.84Å; L285-R404 HydrophobicContact CD2-CG 3.84Å
286	L	98.3	Very high	92.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127	176.8	168.3	59.1	0	0	0	110.2	A267 V271 L288 I301 V350 V351 S352 I369 P371	A267-L286 HydrophobicContact CB-CD1 3.65Å; A267-L286 HydrophobicContact CB-CD2 4.13Å; V271-L286 HydrophobicContact CG2-CD2 3.99Å; L286-L288 HydrophobicContact CD1-CD2 4.35Å; L286-L288 HydrophobicContact CD1-CG 4.43Å; L286-L288 HydrophobicContact CD2-CD1 4.16Å; L286-L288 HydrophobicContact CD2-CG 4.28Å; L286-L288 HydrophobicContact CG-CD1 4.48Å; L286-L288 HydrophobicContact CG-CG 4.1Å; L286-I301 HydrophobicContact CD2-CD1 4.43Å; L286-V350 PolarHBondContact N-O 3.04Å; L286-V351 HydrophobicContact CD2-CG1 4.02Å; L286-V351 HydrophobicContact CD2-CG2 4.42Å; L286-V351 HydrophobicContact CG-CG1 4.25Å; L286-S352 PolarHBondContact O-N 3.47Å; L286-I369 HydrophobicContact CB-CB 4.46Å; L286-I369 HydrophobicContact CD1-CB 3.74Å; L286-I369 HydrophobicContact CD1-CG2 3.67Å; L286-P371 HydrophobicContact CD1-CG 4.15Å
287	F	98.1	Very high	92.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.9	173.5	-70.6	-80.6	0	0	0	112	L285 S352 T353 A356 E357 V368 I369 P371 R401 R404	L285-F287 HydrophobicContact CD2-CE2 3.82Å; L285-F287 HydrophobicContact CD2-CZ 3.65Å; L285-F287 HydrophobicContact CG-CE2 3.95Å; L285-F287 HydrophobicContact CG-CZ 4.08Å; F287-S352 CarbonylContact C-O 3.53Å; F287-S352 VanDerWaalsContact CA-O 3.28Å; F287-S352 WeakPolarHBondContact CA-O 3.49Å; F287-T353 WeakPolarHBondContact CD1-O 3.34Å; F287-A356 HydrophobicContact CE1-CB 3.99Å; F287-A356 HydrophobicContact CZ-CB 4.33Å; F287-E357 HydrophobicContact CE1-CB 4.1Å; F287-V368 HydrophobicContact CD2-CG1 4.06Å; F287-V368 HydrophobicContact CE2-CG1 3.81Å; F287-I369 PolarHBondContact N-O 3.06Å; F287-I369 VanDerWaalsContact N-O 3.1Å; F287-P371 WeakPolarHBondContact O-CD 3.23Å; F287-P371 WeakPolarHBondContact O-CG 3.35Å; F287-R401 HydrophobicContact CD1-CG 4.31Å; F287-R401 HydrophobicContact CD2-CB 4.03Å; F287-R401 HydrophobicContact CD2-CG 3.82Å; F287-R401 HydrophobicContact CE1-CG 4.12Å; F287-R401 HydrophobicContact CE2-CB 3.63Å; F287-R401 HydrophobicContact CE2-CG 3.6Å; F287-R401 HydrophobicContact CG-CG 4.17Å; F287-R401 HydrophobicContact CZ-CB 4.14Å; F287-R401 HydrophobicContact CZ-CG 3.76Å; F287-R404 HydrophobicContact CZ-CG 4.25Å
288	L	97.4	Very high	92.9	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	20%	0.196	C	C	.	.			trans	-132.4	176.9	172.6	-66.5	177.2	0	0	0	110.4	Y263 L264 L286 E293 I294 A297 V351 S352 T353 P371	Y263-L288 HydrophobicContact CE2-CD2 4.36Å; L264-L288 HydrophobicContact CD1-CD1 3.93Å; L264-L288 HydrophobicContact CD1-CD2 3.97Å; L286-L288 HydrophobicContact CD1-CD2 4.35Å; L286-L288 HydrophobicContact CD1-CG 4.43Å; L286-L288 HydrophobicContact CD2-CD1 4.16Å; L286-L288 HydrophobicContact CD2-CG 4.28Å; L286-L288 HydrophobicContact CG-CD1 4.48Å; L286-L288 HydrophobicContact CG-CG 4.1Å; L288-E293 HydrophobicContact CB-CG 4.45Å; L288-E293 HydrophobicContact CD1-CG 4.27Å; L288-I294 HydrophobicContact CB-CD1 4.5Å; L288-I294 HydrophobicContact CB-CG1 3.76Å; L288-I294 HydrophobicContact CD1-CG1 4.17Å; L288-A297 HydrophobicContact CD1-CB 3.53Å; L288-V351 HydrophobicContact CD1-CG1 3.53Å; L288-V351 HydrophobicContact CG-CG1 4.23Å; L288-S352 PolarHBondContact N-O 3.37Å; L288-T353 WeakPolarHBondContact O-CA 3.04Å; L288-P371 HydrophobicContact CD2-CG 4.28Å
289	T	93.7	Very high	92.9	Very high	12 Å²	12	42.3 Å²	42.3	7%	0.074	21%	0.205	C	C	.	.	S	Bend	trans	-96	-23	-162.9	75.3	0	0	0	0	114.3	Y263 E293 F373 K375 V390	Y263-T289 HydrophobicContact CE2-CG2 4.42Å; T289-E293 WeakPolarHBondContact CB-OE2 3.35Å; T289-E293 PolarHBondContact N-OE2 2.93Å; T289-E293 PolarHBondContact OG1-OE2 2.85Å; T289-F373 HydrophobicContact CG2-CB 3.79Å; T289-K375 WeakPolarHBondContact O-CG 3.49Å; T289-V390 HydrophobicContact CG2-CG1 3.83Å; T289-V390 HydrophobicContact CG2-CG2 4.38Å
290	G	89.6	Confident	93.3	Very high	7 Å²	7	36.2 Å²	36.2	7%	0.072	17%	0.174	C	C	.	.	S	Bend	trans	-170.9	175.8	-178.5	0	0	0	0	0	115	E292 E293 I294	G290-E292 PolarHBondContact O-N 2.96Å; G290-E293 PolarHBondContact O-N 3.33Å; G290-I294 WeakPolarHBondContact O-CB 3.35Å; G290-I294 WeakPolarHBondContact O-CD1 3.27Å; G290-I294 VanDerWaalsContact O-CG1 3.22Å; G290-I294 WeakPolarHBondContact O-CG1 3.43Å; G290-I294 PolarHBondContact O-N 2.98Å
291	Q	86.4	Confident	93.5	Very high	71 Å²	71	30.9 Å²	30.9	33%	0.332	15%	0.149	S	C	.	.	H	α-helix	trans	-54.9	-54.6	-173.3	171.2	173.4	-7.8	0	0	113.8	E293 I294 D295 Y321 T323	Q291-E293 VanDerWaalsContact C-N 3.28Å; Q291-E293 PolarHBondContact O-N 3.01Å; Q291-I294 PolarHBondContact O-N 3.28Å; Q291-I294 VanDerWaalsContact O-N 3.15Å; Q291-D295 WeakPolarHBondContact CG-OD2 3.31Å; Q291-D295 PolarHBondContact O-N 2.84Å; Q291-Y321 HydrophobicContact CB-CD1 4.26Å; Q291-Y321 HydrophobicContact CB-CD2 3.99Å; Q291-Y321 HydrophobicContact CB-CE1 4.34Å; Q291-Y321 HydrophobicContact CB-CE2 4.11Å; Q291-Y321 HydrophobicContact CB-CG 4.07Å; Q291-Y321 VanDerWaalsContact CD-CE2 3.49Å; Q291-Y321 HydrophobicContact CG-CD1 4.35Å; Q291-Y321 HydrophobicContact CG-CD2 4.02Å; Q291-Y321 HydrophobicContact CG-CE1 3.94Å; Q291-Y321 HydrophobicContact CG-CE2 3.59Å; Q291-Y321 HydrophobicContact CG-CG 4.38Å; Q291-T323 PolarHBondContact OE1-OG1 2.95Å
292	E	83.9	Confident	93.7	Very high	151 Å²	151	32.1 Å²	32.1	71%	0.706	15%	0.153	S	C	*	.	H	α-helix	trans	-58.6	-42.1	-175.4	-65.7	178.3	174	0	0	112.1	G290 E296	G290-E292 PolarHBondContact O-N 2.96Å; E292-E296 WeakPolarHBondContact O-CB 3.46Å; E292-E296 PolarHBondContact O-N 3.04Å; E292-E296 VanDerWaalsContact O-N 3.07Å
293	E	90.3	Very high	93.6	Very high	28 Å²	28	37.8 Å²	37.8	13%	0.131	17%	0.172	C	C	.	.	H	α-helix	trans	-66.6	-42.7	177.9	-171.2	-174.9	-166.4	0	0	111.8	Y263 L264 L288 T289 G290 Q291 E296 A297	Y263-E293 WeakPolarHBondContact CE2-OE1 3.42Å; Y263-E293 PolarHBondContact OH-OE1 3.2Å; Y263-E293 VanDerWaalsContact OH-OE1 3.11Å; L264-E293 HydrophobicContact CD1-CG 3.85Å; L264-E293 HydrophobicContact CD2-CG 4.24Å; L288-E293 HydrophobicContact CB-CG 4.45Å; L288-E293 HydrophobicContact CD1-CG 4.27Å; T289-E293 WeakPolarHBondContact CB-OE2 3.35Å; T289-E293 PolarHBondContact N-OE2 2.93Å; T289-E293 PolarHBondContact OG1-OE2 2.85Å; G290-E293 PolarHBondContact O-N 3.33Å; Q291-E293 VanDerWaalsContact C-N 3.28Å; Q291-E293 PolarHBondContact O-N 3.01Å; E293-E296 PolarHBondContact O-N 3.24Å; E293-A297 WeakPolarHBondContact O-CB 3.25Å; E293-A297 PolarHBondContact O-N 3.42Å
294	I	94.5	Very high	93.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.3	-45.9	177.3	-71.1	167.7	0	0	0	111.1	L288 G290 Q291 E296 A297 C298 P319 Y321 V351 T353	L288-I294 HydrophobicContact CB-CD1 4.5Å; L288-I294 HydrophobicContact CB-CG1 3.76Å; L288-I294 HydrophobicContact CD1-CG1 4.17Å; G290-I294 WeakPolarHBondContact O-CB 3.35Å; G290-I294 WeakPolarHBondContact O-CD1 3.27Å; G290-I294 VanDerWaalsContact O-CG1 3.22Å; G290-I294 WeakPolarHBondContact O-CG1 3.43Å; G290-I294 PolarHBondContact O-N 2.98Å; Q291-I294 PolarHBondContact O-N 3.28Å; Q291-I294 VanDerWaalsContact O-N 3.15Å; I294-E296 VanDerWaalsContact C-N 3.3Å; I294-E296 PolarHBondContact O-N 3.01Å; I294-A297 PolarHBondContact O-N 3.18Å; I294-C298 WeakPolarHBondContact O-CB 3.42Å; I294-C298 PolarHBondContact O-N 3.27Å; I294-C298 PolarHBondContact O-SG 3.31Å; I294-P319 HydrophobicContact CG2-CB 3.7Å; I294-Y321 HydrophobicContact CB-CD1 4.16Å; I294-Y321 HydrophobicContact CB-CE1 4.45Å; I294-Y321 HydrophobicContact CD1-CD1 4Å; I294-Y321 HydrophobicContact CG2-CD1 3.87Å; I294-Y321 HydrophobicContact CG2-CE1 4.02Å; I294-V351 HydrophobicContact CB-CG1 4.32Å; I294-V351 HydrophobicContact CG1-CG1 4.14Å; I294-V351 HydrophobicContact CG2-CB 4.14Å; I294-V351 HydrophobicContact CG2-CG1 3.9Å; I294-V351 WeakPolarHBondContact CG2-O 3.38Å; I294-T353 HydrophobicContact CD1-CG2 3.52Å
295	D	89.9	Confident	93	Very high	46 Å²	46	41.1 Å²	41.1	25%	0.246	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-37.6	-179.4	-72.4	-24.4	0	0	0	110.7	Q291 K299 Y321	Q291-D295 WeakPolarHBondContact CG-OD2 3.31Å; Q291-D295 PolarHBondContact O-N 2.84Å; D295-K299 WeakPolarHBondContact O-CG 3.37Å; D295-K299 PolarHBondContact O-N 3.3Å; D295-Y321 WeakPolarHBondContact OD1-CE1 3.39Å; D295-Y321 PolarHBondContact OD1-OH 2.57Å; D295-Y321 PolarHBondContact OD2-OH 2.98Å
296	E	90.2	Very high	92.6	Very high	59 Å²	59	46.2 Å²	46.2	28%	0.276	22%	0.216	S	C	.	.	H	α-helix	trans	-67	-47.9	173.8	-174.7	58.4	-153.7	0	0	111.8	E292 E293 I294 C298 K299 R300	E292-E296 WeakPolarHBondContact O-CB 3.46Å; E292-E296 PolarHBondContact O-N 3.04Å; E292-E296 VanDerWaalsContact O-N 3.07Å; E293-E296 PolarHBondContact O-N 3.24Å; I294-E296 VanDerWaalsContact C-N 3.3Å; I294-E296 PolarHBondContact O-N 3.01Å; E296-C298 VanDerWaalsContact C-N 3.31Å; E296-C298 PolarHBondContact O-N 2.88Å; E296-K299 PolarHBondContact O-N 2.96Å; E296-K299 VanDerWaalsContact O-N 3.15Å; E296-R300 HydrophobicContact CG-CG 4.4Å; E296-R300 WeakPolarHBondContact O-CG 3.15Å; E296-R300 PolarHBondContact O-N 3.42Å; E296-R300 WeakPolarHBondContact OE1-CG 3.4Å
297	A	95.9	Very high	92.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-56.2	-46.1	175.7	0	0	0	0	0	111.5	L264 L288 E293 I294 K299 R300 I301 V351	L264-A297 HydrophobicContact CD1-CB 3.96Å; L288-A297 HydrophobicContact CD1-CB 3.53Å; E293-A297 WeakPolarHBondContact O-CB 3.25Å; E293-A297 PolarHBondContact O-N 3.42Å; I294-A297 PolarHBondContact O-N 3.18Å; A297-K299 VanDerWaalsContact C-N 3.31Å; A297-K299 PolarHBondContact O-N 2.54Å; A297-R300 PolarHBondContact O-N 2.98Å; A297-I301 HydrophobicContact CB-CD1 4.47Å; A297-I301 WeakPolarHBondContact O-CB 3.24Å; A297-I301 WeakPolarHBondContact O-CD1 3.4Å; A297-I301 WeakPolarHBondContact O-CG1 3.47Å; A297-I301 PolarHBondContact O-N 3.15Å; A297-V351 HydrophobicContact CB-CG1 4.3Å
298	C	95.8	Very high	91.5	Very high	18 Å²	18	55.9 Å²	55.9	12%	0.122	27%	0.267	C	S	.	.	H	α-helix	trans	-57.6	-43	177.7	-71.3	0	0	0	0	112.2	I294 E296 K302 I317	I294-C298 WeakPolarHBondContact O-CB 3.42Å; I294-C298 PolarHBondContact O-N 3.27Å; I294-C298 PolarHBondContact O-SG 3.31Å; E296-C298 VanDerWaalsContact C-N 3.31Å; E296-C298 PolarHBondContact O-N 2.88Å; C298-K302 VanDerWaalsContact O-CB 3.32Å; C298-K302 WeakPolarHBondContact O-CB 3.41Å; C298-K302 PolarHBondContact O-N 3.2Å; C298-K302 VanDerWaalsContact O-N 3.11Å; C298-I317 HydrophobicContact CB-CG2 3.97Å
299	K	92.7	Very high	90.8	Very high	87 Å²	87	57.6 Å²	57.6	38%	0.378	29%	0.285	S	S	.	.	H	α-helix	trans	-67.2	-44.2	177.9	-72.3	172.4	-174	175	0	111.9	D295 E296 A297 K302 R303	D295-K299 WeakPolarHBondContact O-CG 3.37Å; D295-K299 PolarHBondContact O-N 3.3Å; E296-K299 PolarHBondContact O-N 2.96Å; E296-K299 VanDerWaalsContact O-N 3.15Å; A297-K299 VanDerWaalsContact C-N 3.31Å; A297-K299 PolarHBondContact O-N 2.54Å; K299-K302 PolarHBondContact O-N 2.94Å; K299-R303 WeakPolarHBondContact O-CG 3.41Å; K299-R303 PolarHBondContact O-N 2.68Å
300	R	95	Very high	90.2	Very high	55 Å²	55	62.4 Å²	62.4	21%	0.208	32%	0.317	C	S	.	.	H	α-helix	trans	-65.6	-48.8	-179.2	-70.8	-173.7	60	-166.6	-8.6	111.9	E265 I268 E296 A297 K302 R303 E304	E265-R300 VanDerWaalsContact CD-NH2 3.34Å; E265-R300 IonicContact OE1-NH2 3.77Å; E265-R300 PolarHBondContact OE1-NH2 3.13Å; E265-R300 IonicContact OE2-CZ 2.87Å; E265-R300 IonicContact OE2-NH1 3.12Å; E265-R300 PolarHBondContact OE2-NH1 2.89Å; E265-R300 IonicContact OE2-NH2 3.81Å; E265-R300 PolarHBondContact OE2-NH2 2.85Å; I268-R300 HydrophobicContact CD1-CB 3.88Å; I268-R300 HydrophobicContact CD1-CG 4.49Å; E296-R300 HydrophobicContact CG-CG 4.4Å; E296-R300 WeakPolarHBondContact O-CG 3.15Å; E296-R300 PolarHBondContact O-N 3.42Å; E296-R300 WeakPolarHBondContact OE1-CG 3.4Å; A297-R300 PolarHBondContact O-N 2.98Å; R300-K302 VanDerWaalsContact C-N 3.28Å; R300-K302 PolarHBondContact O-N 3.4Å; R300-R303 PolarHBondContact O-N 3.13Å; R300-E304 IonicContact NH2-OE1 3.4Å; R300-E304 WeakPolarHBondContact O-CG 3.47Å; R300-E304 PolarHBondContact O-N 3.13Å
301	I	95.7	Very high	89.8	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-55.9	-46.2	174.7	-66.2	163.3	0	0	0	109.8	I268 V271 L286 A297 R303 E304 V305 M315 I317 V351	I268-I301 HydrophobicContact CB-CG1 4.38Å; I268-I301 HydrophobicContact CG1-CD1 4.46Å; I268-I301 HydrophobicContact CG1-CG1 4.05Å; I268-I301 HydrophobicContact CG2-CG1 3.94Å; V271-I301 HydrophobicContact CB-CD1 4.47Å; V271-I301 HydrophobicContact CG1-CD1 4.3Å; V271-I301 HydrophobicContact CG1-CG1 4.5Å; V271-I301 HydrophobicContact CG1-CG2 3.98Å; V271-I301 HydrophobicContact CG2-CD1 4.22Å; L286-I301 HydrophobicContact CD2-CD1 4.43Å; A297-I301 HydrophobicContact CB-CD1 4.47Å; A297-I301 WeakPolarHBondContact O-CB 3.24Å; A297-I301 WeakPolarHBondContact O-CD1 3.4Å; A297-I301 WeakPolarHBondContact O-CG1 3.47Å; A297-I301 PolarHBondContact O-N 3.15Å; I301-R303 PolarHBondContact O-N 3.08Å; I301-E304 PolarHBondContact O-N 3.06Å; I301-V305 HydrophobicContact CG2-CG2 4.24Å; I301-V305 WeakPolarHBondContact O-CB 3.07Å; I301-V305 VanDerWaalsContact O-CG2 3.26Å; I301-V305 WeakPolarHBondContact O-CG2 3.36Å; I301-V305 PolarHBondContact O-N 3.37Å; I301-M315 HydrophobicContact CG2-SD 3.69Å; I301-I317 HydrophobicContact CB-CD1 4.16Å; I301-I317 HydrophobicContact CG2-CD1 3.69Å; I301-I317 HydrophobicContact CG2-CG1 4.24Å; I301-V351 HydrophobicContact CD1-CG2 4.21Å
302	K	94	Very high	89.9	Confident	121 Å²	121	67.7 Å²	67.7	53%	0.526	34%	0.341	S	S	.	.	H	α-helix	trans	-59.2	-48.6	178.8	-170.7	176.5	179.2	-177.1	0	112.2	C298 K299 R300 E304 V305 D306 I317	C298-K302 VanDerWaalsContact O-CB 3.32Å; C298-K302 WeakPolarHBondContact O-CB 3.41Å; C298-K302 PolarHBondContact O-N 3.2Å; C298-K302 VanDerWaalsContact O-N 3.11Å; K299-K302 PolarHBondContact O-N 2.94Å; R300-K302 VanDerWaalsContact C-N 3.28Å; R300-K302 PolarHBondContact O-N 3.4Å; K302-E304 PolarHBondContact O-N 3.2Å; K302-V305 PolarHBondContact O-N 3.49Å; K302-D306 WeakPolarHBondContact O-CB 3.32Å; K302-D306 PolarHBondContact O-N 3.28Å; K302-I317 HydrophobicContact CB-CD1 3.67Å; K302-I317 HydrophobicContact CG-CD1 4.3Å
303	R	92.3	Very high	90.2	Very high	126 Å²	126	60.7 Å²	60.7	48%	0.475	31%	0.309	S	S	.	.	H	α-helix	trans	-60.3	-44.6	178.6	-74.6	175	-179.3	162.1	3.5	112.1	K299 R300 I301 N307 E537	K299-R303 WeakPolarHBondContact O-CG 3.41Å; K299-R303 PolarHBondContact O-N 2.68Å; R300-R303 PolarHBondContact O-N 3.13Å; I301-R303 PolarHBondContact O-N 3.08Å; R303-N307 PolarHBondContact O-N 2.83Å; R303-N307 PolarHBondContact O-ND2 3.47Å; R303-N307 VanDerWaalsContact O-ND2 3.11Å; R303-E537 IonicContact CZ-OE1 3.34Å; R303-E537 IonicContact NH2-OE1 3.64Å; R303-E537 PolarHBondContact NH2-OE1 2.99Å
304	E	91.9	Very high	90.3	Very high	61 Å²	61	63 Å²	63	29%	0.285	32%	0.322	S	S	.	.	H	α-helix	trans	-65.5	-44	179.9	-73.3	179.3	-154.2	0	0	111.1	I268 I272 R300 I301 K302 N307 L308	I268-E304 WeakPolarHBondContact CG2-OE2 3.41Å; I272-E304 HydrophobicContact CD1-CB 3.58Å; I272-E304 HydrophobicContact CG1-CB 4.43Å; R300-E304 IonicContact NH2-OE1 3.4Å; R300-E304 WeakPolarHBondContact O-CG 3.47Å; R300-E304 PolarHBondContact O-N 3.13Å; I301-E304 PolarHBondContact O-N 3.06Å; K302-E304 PolarHBondContact O-N 3.2Å; E304-N307 PolarHBondContact O-N 3.37Å; E304-L308 WeakPolarHBondContact O-CG 3.38Å
305	V	90.1	Very high	90.3	Very high	17 Å²	17	64.4 Å²	64.4	10%	0.103	33%	0.33	C	S	.	.	H	α-helix	trans	-63.6	-44.2	176.9	173.6	0	0	0	0	112.2	I272 I301 K302 N307 L308 M315	I272-V305 HydrophobicContact CD1-CG2 3.73Å; I301-V305 HydrophobicContact CG2-CG2 4.24Å; I301-V305 WeakPolarHBondContact O-CB 3.07Å; I301-V305 VanDerWaalsContact O-CG2 3.26Å; I301-V305 WeakPolarHBondContact O-CG2 3.36Å; I301-V305 PolarHBondContact O-N 3.37Å; K302-V305 PolarHBondContact O-N 3.49Å; V305-N307 PolarHBondContact O-N 3.28Å; V305-L308 PolarHBondContact O-N 3.4Å; V305-L308 VanDerWaalsContact O-N 3.1Å; V305-M315 HydrophobicContact CG1-CB 4.12Å; V305-M315 HydrophobicContact CG2-CE 3.72Å; V305-M315 HydrophobicContact CG2-SD 3.81Å
306	D	88.3	Confident	90.6	Very high	109 Å²	109	65 Å²	65	58%	0.583	33%	0.33	S	S	*	.	H	α-helix	trans	-61.7	-26.2	178.6	-71.1	-18.3	0	0	0	111.8	K302	K302-D306 WeakPolarHBondContact O-CB 3.32Å; K302-D306 PolarHBondContact O-N 3.28Å
307	N	90.1	Very high	90.9	Very high	137 Å²	137	63.7 Å²	63.7	73%	0.733	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-12.3	178.1	-70.6	-23.5	0	0	0	114.4	R303 E304 V305 G309	R303-N307 PolarHBondContact O-N 2.83Å; R303-N307 PolarHBondContact O-ND2 3.47Å; R303-N307 VanDerWaalsContact O-ND2 3.11Å; E304-N307 PolarHBondContact O-N 3.37Å; V305-N307 PolarHBondContact O-N 3.28Å; N307-G309 VanDerWaalsContact C-N 3.25Å; N307-G309 PolarHBondContact O-N 3.02Å
308	L	84.1	Confident	90.9	Very high	67 Å²	67	63.8 Å²	63.8	35%	0.351	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-1.6	-176.1	-62.1	166	0	0	0	113.8	I272 M276 E304 V305 V312	I272-L308 HydrophobicContact CG2-CD1 4.13Å; M276-L308 HydrophobicContact CE-CB 4.23Å; M276-L308 HydrophobicContact CE-CD1 3.84Å; M276-L308 HydrophobicContact CE-CD2 3.67Å; M276-L308 HydrophobicContact CE-CG 4.1Å; M276-L308 HydrophobicContact CG-CD1 4.3Å; M276-L308 HydrophobicContact SD-CD1 3.77Å; M276-L308 HydrophobicContact SD-CD2 4Å; M276-L308 HydrophobicContact SD-CG 4.47Å; E304-L308 WeakPolarHBondContact O-CG 3.38Å; V305-L308 PolarHBondContact O-N 3.4Å; V305-L308 VanDerWaalsContact O-N 3.1Å; L308-V312 HydrophobicContact CB-CB 4.31Å; L308-V312 HydrophobicContact CB-CG2 3.62Å
309	G	82.1	Confident	90.9	Very high	37 Å²	37	64.3 Å²	64.3	38%	0.381	33%	0.328	S	S	.	.			trans	81.6	179.2	175.2	0	0	0	0	0	114.7	N307 Q311	N307-G309 VanDerWaalsContact C-N 3.25Å; N307-G309 PolarHBondContact O-N 3.02Å; G309-Q311 VanDerWaalsContact C-N 3.28Å; G309-Q311 PolarHBondContact O-N 3.16Å
310	P	81.8	Confident	90.8	Very high	114 Å²	114	60.2 Å²	60.2	74%	0.74	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-13.8	-167.1	29.1	-35.7	0	0	0	114.6	V312 K340	P310-V312 VanDerWaalsContact C-N 3.32Å; P310-K340 PolarHBondContact O-NZ 3.33Å
311	Q	81.6	Confident	90.4	Very high	167 Å²	167	58.4 Å²	58.4	78%	0.78	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.7	-177.7	-61.2	-155.6	13.6	0	0	113.4	G309 A344	G309-Q311 VanDerWaalsContact C-N 3.28Å; G309-Q311 PolarHBondContact O-N 3.16Å; Q311-A344 VanDerWaalsContact O-CB 3.28Å; Q311-A344 WeakPolarHBondContact O-CB 3.32Å
312	V	88.6	Confident	89.6	Confident	21 Å²	21	62.3 Å²	62.3	13%	0.127	33%	0.331	C	S	.	.	S	Bend	trans	-82.2	141.1	177.8	-179	0	0	0	0	110.1	H275 M276 L308 P310 K340	H275-V312 VanDerWaalsContact CD2-CG1 3.42Å; H275-V312 WeakPolarHBondContact CD2-CG1 3.33Å; H275-V312 WeakPolarHBondContact NE2-CG1 3.01Å; M276-V312 HydrophobicContact CE-CG2 3.9Å; L308-V312 HydrophobicContact CB-CB 4.31Å; L308-V312 HydrophobicContact CB-CG2 3.62Å; P310-V312 VanDerWaalsContact C-N 3.32Å; V312-K340 WeakPolarHBondContact O-CE 3.4Å; V312-K340 PolarHBondContact O-NZ 3.13Å
313	G	89.7	Confident	88.6	Confident	5 Å²	5	59.1 Å²	59.1	5%	0.052	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-64.2	155.3	178.2	0	0	0	0	0	112.1	H275 I345	H275-G313 PolarHBondContact CE1-O 2.99Å; H275-G313 PolarHBondContact NE2-O 3.13Å; G313-I345 WeakPolarHBondContact CA-O 3.49Å
314	D	92.1	Very high	87.8	Confident	76 Å²	76	53.6 Å²	53.6	41%	0.406	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-70.9	144.6	-178.1	-65.1	-34.7	0	0	0	111.1	P337 K340 G346 R347	D314-P337 HydrophobicContact CB-CB 4.05Å; D314-P337 HydrophobicContact CB-CG 4.17Å; D314-P337 VanDerWaalsContact O-CG 3.25Å; D314-P337 WeakPolarHBondContact O-CG 3.49Å; D314-K340 WeakPolarHBondContact OD1-CE 3.44Å; D314-K340 IonicContact OD1-NZ 2.72Å; D314-K340 PolarHBondContact OD1-NZ 3.39Å; D314-K340 WeakPolarHBondContact OD2-CE 3.37Å; D314-G346 WeakPolarHBondContact O-CA 3.37Å; D314-R347 PolarHBondContact O-N 2.95Å
315	M	94.1	Very high	86.8	Confident	30 Å²	30	52 Å²	52	15%	0.148	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.3	179.9	-169.7	-176.8	-73.5	0	0	111.1	V271 H275 I301 V305 I317 R347 V349	V271-M315 HydrophobicContact CG1-CE 4.23Å; V271-M315 HydrophobicContact CG1-SD 4.37Å; H275-M315 HydrophobicContact CB-CE 3.46Å; H275-M315 VanDerWaalsContact CB-CE 3.46Å; H275-M315 WeakPolarHBondContact ND1-CE 3.41Å; I301-M315 HydrophobicContact CG2-SD 3.69Å; V305-M315 HydrophobicContact CG1-CB 4.12Å; V305-M315 HydrophobicContact CG2-CE 3.72Å; V305-M315 HydrophobicContact CG2-SD 3.81Å; M315-I317 HydrophobicContact CG-CG1 3.96Å; M315-I317 HydrophobicContact SD-CD1 4.24Å; M315-I317 HydrophobicContact SD-CG1 3.89Å; M315-R347 CarbonylContact C-O 3.6Å; M315-R347 WeakPolarHBondContact CA-O 3.12Å; M315-V349 HydrophobicContact CE-CG2 3.94Å; M315-V349 HydrophobicContact CG-CB 4.42Å; M315-V349 HydrophobicContact CG-CG2 3.65Å; M315-V349 HydrophobicContact SD-CB 4.21Å; M315-V349 HydrophobicContact SD-CG2 3.42Å; M315-V349 WeakPolarHBondContact SD-CG2 3.13Å
316	K	95.9	Very high	85.9	Confident	57 Å²	57	54 Å²	54	25%	0.248	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	106.1	171.6	-175.5	-176.6	-78.8	-177.3	0	109.9	I318 E334 P335 P337 R347 K348 V349	K316-I318 HydrophobicContact CD-CD1 3.91Å; K316-I318 HydrophobicContact CD-CG1 4.36Å; K316-I318 HydrophobicContact CG-CD1 4.15Å; K316-I318 HydrophobicContact CG-CG1 4.05Å; K316-E334 IonicContact NZ-OE2 3.53Å; K316-E334 PolarHBondContact NZ-OE2 2.99Å; K316-P335 PolarHBondContact NZ-O 3.31Å; K316-P337 HydrophobicContact CB-CG 4.33Å; K316-R347 PolarHBondContact N-O 3.41Å; K316-K348 CarbonylContact O-C 3.53Å; K316-K348 WeakPolarHBondContact O-CA 3.27Å; K316-V349 PolarHBondContact O-N 3.31Å
317	I	97.1	Very high	85.4	Confident	33 Å²	33	56.5 Å²	56.5	17%	0.169	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	127	-178.9	-54.2	163.5	0	0	0	109.8	C298 I301 K302 M315 V349 V351	C298-I317 HydrophobicContact CB-CG2 3.97Å; I301-I317 HydrophobicContact CB-CD1 4.16Å; I301-I317 HydrophobicContact CG2-CD1 3.69Å; I301-I317 HydrophobicContact CG2-CG1 4.24Å; K302-I317 HydrophobicContact CB-CD1 3.67Å; K302-I317 HydrophobicContact CG-CD1 4.3Å; M315-I317 HydrophobicContact CG-CG1 3.96Å; M315-I317 HydrophobicContact SD-CD1 4.24Å; M315-I317 HydrophobicContact SD-CG1 3.89Å; I317-V349 CarbonylContact C-O 3.38Å; I317-V349 WeakPolarHBondContact CA-O 3.48Å; I317-V351 HydrophobicContact CG2-CG2 4.35Å
318	I	96.3	Very high	84.9	Confident	1 Å²	1	53 Å²	53	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	116.6	-175.8	-48.6	-175.6	0	0	0	110.3	K316 R331 I332 K348 V349 V350 V351	K316-I318 HydrophobicContact CD-CD1 3.91Å; K316-I318 HydrophobicContact CD-CG1 4.36Å; K316-I318 HydrophobicContact CG-CD1 4.15Å; K316-I318 HydrophobicContact CG-CG1 4.05Å; I318-R331 HydrophobicContact CD1-CB 4.43Å; I318-R331 WeakPolarHBondContact CD1-O 3.13Å; I318-R331 HydrophobicContact CG2-CB 4.11Å; I318-I332 HydrophobicContact CG2-CG2 3.83Å; I318-K348 HydrophobicContact CD1-CD 3.75Å; I318-K348 HydrophobicContact CD1-CG 3.93Å; I318-K348 HydrophobicContact CG1-CG 4.39Å; I318-V349 PolarHBondContact N-O 3.16Å; I318-V350 WeakPolarHBondContact O-CA 3.24Å; I318-V351 PolarHBondContact O-N 3.21Å
319	P	95.1	Very high	84.7	Confident	30 Å²	30	50.2 Å²	50.2	20%	0.195	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	148.4	173.9	30.9	-33.9	0	0	0	111.5	I294 Y321 L324 V351	I294-P319 HydrophobicContact CG2-CB 3.7Å; P319-Y321 HydrophobicContact CB-CD1 4.39Å; P319-Y321 HydrophobicContact CB-CE1 3.88Å; P319-L324 WeakPolarHBondContact O-CD1 3.3Å; P319-V351 CarbonylContact C-O 3.51Å; P319-V351 WeakPolarHBondContact CA-O 3.33Å
320	L	91.2	Very high	84.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	103.7	175.2	-179	64.3	0	0	0	113.3	Q329 I332 V350 V351 S352 T353 I355 A356 L360	L320-Q329 HydrophobicContact CD1-CB 4.27Å; L320-Q329 HydrophobicContact CD1-CG 4.08Å; L320-I332 HydrophobicContact CB-CG2 4.28Å; L320-I332 HydrophobicContact CD1-CD1 4.16Å; L320-I332 HydrophobicContact CD1-CG2 4.3Å; L320-I332 HydrophobicContact CD2-CD1 3.83Å; L320-I332 HydrophobicContact CD2-CG2 4.21Å; L320-I332 HydrophobicContact CG-CG2 4.5Å; L320-V350 HydrophobicContact CB-CG1 4.12Å; L320-V350 HydrophobicContact CD2-CG1 4.41Å; L320-V351 PolarHBondContact N-O 3.14Å; L320-S352 WeakPolarHBondContact CB-OG 3.47Å; L320-S352 VanDerWaalsContact CD2-OG 3.29Å; L320-S352 WeakPolarHBondContact CD2-OG 3.47Å; L320-S352 WeakPolarHBondContact CG-OG 3.44Å; L320-S352 VanDerWaalsContact O-CA 3.23Å; L320-S352 WeakPolarHBondContact O-CA 3.49Å; L320-S352 PolarHBondContact O-OG 2.93Å; L320-T353 PolarHBondContact O-N 3.36Å; L320-I355 HydrophobicContact CD2-CG2 4.5Å; L320-A356 HydrophobicContact CD2-CB 4.16Å; L320-L360 HydrophobicContact CD2-CD2 4.38Å
321	Y	86.5	Confident	85	Confident	18 Å²	18	52.4 Å²	52.4	7%	0.071	27%	0.269	C	S	.	.			trans	-143.8	166.6	174.5	47.2	-101.3	0	0	0	111.8	Q291 I294 D295 P319 T323 L324	Q291-Y321 HydrophobicContact CB-CD1 4.26Å; Q291-Y321 HydrophobicContact CB-CD2 3.99Å; Q291-Y321 HydrophobicContact CB-CE1 4.34Å; Q291-Y321 HydrophobicContact CB-CE2 4.11Å; Q291-Y321 HydrophobicContact CB-CG 4.07Å; Q291-Y321 VanDerWaalsContact CD-CE2 3.49Å; Q291-Y321 HydrophobicContact CG-CD1 4.35Å; Q291-Y321 HydrophobicContact CG-CD2 4.02Å; Q291-Y321 HydrophobicContact CG-CE1 3.94Å; Q291-Y321 HydrophobicContact CG-CE2 3.59Å; Q291-Y321 HydrophobicContact CG-CG 4.38Å; I294-Y321 HydrophobicContact CB-CD1 4.16Å; I294-Y321 HydrophobicContact CB-CE1 4.45Å; I294-Y321 HydrophobicContact CD1-CD1 4Å; I294-Y321 HydrophobicContact CG2-CD1 3.87Å; I294-Y321 HydrophobicContact CG2-CE1 4.02Å; D295-Y321 WeakPolarHBondContact OD1-CE1 3.39Å; D295-Y321 PolarHBondContact OD1-OH 2.57Å; D295-Y321 PolarHBondContact OD2-OH 2.98Å; P319-Y321 HydrophobicContact CB-CD1 4.39Å; P319-Y321 HydrophobicContact CB-CE1 3.88Å; Y321-T323 VanDerWaalsContact C-N 3.28Å; Y321-T323 WeakPolarHBondContact CD2-OG1 3.13Å; Y321-T323 WeakPolarHBondContact CE2-OG1 3.48Å; Y321-T323 PolarHBondContact O-N 2.79Å; Y321-L324 HydrophobicContact CD1-CD1 4.42Å; Y321-L324 HydrophobicContact CD1-CG 4.45Å; Y321-L324 HydrophobicContact CD2-CD1 4.39Å; Y321-L324 HydrophobicContact CD2-CD2 4.16Å; Y321-L324 HydrophobicContact CD2-CG 3.65Å; Y321-L324 HydrophobicContact CE1-CD1 4.45Å; Y321-L324 HydrophobicContact CE1-CD2 4.22Å; Y321-L324 HydrophobicContact CE1-CG 4.32Å; Y321-L324 HydrophobicContact CE2-CD1 4.4Å; Y321-L324 HydrophobicContact CE2-CD2 3.44Å; Y321-L324 VanDerWaalsContact CE2-CD2 3.44Å; Y321-L324 HydrophobicContact CE2-CG 3.48Å; Y321-L324 VanDerWaalsContact CE2-CG 3.48Å; Y321-L324 HydrophobicContact CG-CD1 4.4Å; Y321-L324 HydrophobicContact CG-CG 4.15Å; Y321-L324 VanDerWaalsContact CZ-CD2 3.48Å; Y321-L324 WeakPolarHBondContact O-CB 3.35Å; Y321-L324 PolarHBondContact O-N 3.48Å
322	S	78.4	Confident	85.3	Confident	82 Å²	82	44.5 Å²	44.5	57%	0.573	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-27	-164.6	51	0	0	0	0	114.8	I355	S322-I355 VanDerWaalsContact CA-CD1 3.41Å
323	T	73.2	Confident	85.3	Confident	54 Å²	54	48.2 Å²	48.2	33%	0.331	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.8	-177.1	58.1	0	0	0	0	113.3	Q291 Y321 P529	Q291-T323 PolarHBondContact OE1-OG1 2.95Å; Y321-T323 VanDerWaalsContact C-N 3.28Å; Y321-T323 WeakPolarHBondContact CD2-OG1 3.13Å; Y321-T323 WeakPolarHBondContact CE2-OG1 3.48Å; Y321-T323 PolarHBondContact O-N 2.79Å; T323-P529 HydrophobicContact CG2-CB 4.01Å; T323-P529 HydrophobicContact CG2-CG 3.36Å
324	L	75.4	Confident	85.3	Confident	9 Å²	9	50.9 Å²	50.9	5%	0.047	26%	0.257	C	S	.	.	S	Bend	trans	-67	145	173.3	-69.9	176.4	0	0	0	111.2	P319 Y321 Q328 Q329	P319-L324 WeakPolarHBondContact O-CD1 3.3Å; Y321-L324 HydrophobicContact CD1-CD1 4.42Å; Y321-L324 HydrophobicContact CD1-CG 4.45Å; Y321-L324 HydrophobicContact CD2-CD1 4.39Å; Y321-L324 HydrophobicContact CD2-CD2 4.16Å; Y321-L324 HydrophobicContact CD2-CG 3.65Å; Y321-L324 HydrophobicContact CE1-CD1 4.45Å; Y321-L324 HydrophobicContact CE1-CD2 4.22Å; Y321-L324 HydrophobicContact CE1-CG 4.32Å; Y321-L324 HydrophobicContact CE2-CD1 4.4Å; Y321-L324 HydrophobicContact CE2-CD2 3.44Å; Y321-L324 VanDerWaalsContact CE2-CD2 3.44Å; Y321-L324 HydrophobicContact CE2-CG 3.48Å; Y321-L324 VanDerWaalsContact CE2-CG 3.48Å; Y321-L324 HydrophobicContact CG-CD1 4.4Å; Y321-L324 HydrophobicContact CG-CG 4.15Å; Y321-L324 VanDerWaalsContact CZ-CD2 3.48Å; Y321-L324 WeakPolarHBondContact O-CB 3.35Å; Y321-L324 PolarHBondContact O-N 3.48Å; L324-Q328 HydrophobicContact CB-CB 4.48Å; L324-Q329 HydrophobicContact CB-CG 3.71Å; L324-Q329 PolarHBondContact O-NE2 2.86Å
325	P	71.1	Confident	85.2	Confident	29 Å²	29	51.8 Å²	51.8	19%	0.188	27%	0.267	C	S	.	.			trans	-65.2	156.3	171.3	-19.6	29.1	0	0	0	112.7	Q327 Q328 Q329 R584	P325-Q327 VanDerWaalsContact C-N 3.28Å; P325-Q327 PolarHBondContact O-N 2.84Å; P325-Q328 PolarHBondContact O-N 3.46Å; P325-Q329 WeakPolarHBondContact O-CG 3.42Å; P325-Q329 PolarHBondContact O-N 3.31Å; P325-R584 VanDerWaalsContact CD-CZ 3.45Å; P325-R584 VanDerWaalsContact CG-NH1 3.32Å
326	P	71.8	Confident	85.3	Confident	58 Å²	58	53 Å²	53	38%	0.377	28%	0.278	S	S	.	.	H	α-helix	trans	-52.3	-43.5	176.7	-27.8	35.4	0	0	0	113.5	M131 Q328 Q329 Q330	M131-P326 HydrophobicContact CE-CB 4.23Å; M131-P326 HydrophobicContact CE-CG 3.57Å; M131-P326 HydrophobicContact SD-CG 4.42Å; P326-Q328 VanDerWaalsContact C-N 3.3Å; P326-Q328 PolarHBondContact O-N 2.97Å; P326-Q329 PolarHBondContact O-N 3.2Å; P326-Q330 VanDerWaalsContact O-CG 3.3Å; P326-Q330 WeakPolarHBondContact O-CG 3.48Å; P326-Q330 PolarHBondContact O-N 3.44Å
327	Q	76.6	Confident	85.2	Confident	161 Å²	161	51.3 Å²	51.3	75%	0.752	27%	0.273	S	S	*	.	H	α-helix	trans	-60.6	-36.4	177.8	-68.5	177.6	-4.8	0	0	113	P325	P325-Q327 VanDerWaalsContact C-N 3.28Å; P325-Q327 PolarHBondContact O-N 2.84Å
328	Q	79.6	Confident	84.9	Confident	63 Å²	63	54.7 Å²	54.7	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-79.1	-35.8	178	-71.2	-168.6	-24.9	0	0	112.1	L324 P325 P326 Q330 R331	L324-Q328 HydrophobicContact CB-CB 4.48Å; P325-Q328 PolarHBondContact O-N 3.46Å; P326-Q328 VanDerWaalsContact C-N 3.3Å; P326-Q328 PolarHBondContact O-N 2.97Å; Q328-Q330 VanDerWaalsContact C-N 3.29Å; Q328-Q330 PolarHBondContact O-N 3.03Å; Q328-R331 VanDerWaalsContact O-CB 3.28Å; Q328-R331 WeakPolarHBondContact O-CB 3.26Å; Q328-R331 WeakPolarHBondContact O-CG 3.21Å; Q328-R331 PolarHBondContact O-N 3.29Å
329	Q	80.5	Confident	84.7	Confident	10 Å²	10	58 Å²	58	5%	0.047	32%	0.315	C	S	.	.	H	α-helix	trans	-62.2	-39.6	173.4	-67.2	174.5	-1.3	0	0	110.8	V128 L320 L324 P325 P326 R331 I332	V128-Q329 VanDerWaalsContact CG2-CD 3.45Å; V128-Q329 VanDerWaalsContact CG2-NE2 3.25Å; L320-Q329 HydrophobicContact CD1-CB 4.27Å; L320-Q329 HydrophobicContact CD1-CG 4.08Å; L324-Q329 HydrophobicContact CB-CG 3.71Å; L324-Q329 PolarHBondContact O-NE2 2.86Å; P325-Q329 WeakPolarHBondContact O-CG 3.42Å; P325-Q329 PolarHBondContact O-N 3.31Å; P326-Q329 PolarHBondContact O-N 3.2Å; Q329-R331 PolarHBondContact O-N 2.83Å; Q329-R331 VanDerWaalsContact O-N 3.13Å; Q329-I332 WeakPolarHBondContact O-CD1 3.44Å; Q329-I332 WeakPolarHBondContact O-CG1 3.4Å; Q329-I332 WeakPolarHBondContact O-CG2 3.49Å; Q329-I332 PolarHBondContact O-N 3.17Å
330	Q	81.3	Confident	84.4	Confident	99 Å²	99	58.9 Å²	58.9	46%	0.463	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-61.6	-21.1	177.3	-75.8	174.1	-0.5	0	0	113.9	P326 Q328 I332 F333	P326-Q330 VanDerWaalsContact O-CG 3.3Å; P326-Q330 WeakPolarHBondContact O-CG 3.48Å; P326-Q330 PolarHBondContact O-N 3.44Å; Q328-Q330 VanDerWaalsContact C-N 3.29Å; Q328-Q330 PolarHBondContact O-N 3.03Å; Q330-I332 PolarHBondContact O-N 2.87Å; Q330-I332 VanDerWaalsContact O-N 3.13Å; Q330-F333 WeakPolarHBondContact O-CB 3.43Å; Q330-F333 WeakPolarHBondContact O-CD2 3.18Å; Q330-F333 PolarHBondContact O-N 3.25Å
331	R	88.1	Confident	84.1	Confident	98 Å²	98	65.8 Å²	65.8	37%	0.37	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-61.1	-23.6	179.1	-60.9	-176	60.9	-151.6	-6.5	113.2	I318 Q328 Q329 F333 E334	I318-R331 HydrophobicContact CD1-CB 4.43Å; I318-R331 WeakPolarHBondContact CD1-O 3.13Å; I318-R331 HydrophobicContact CG2-CB 4.11Å; Q328-R331 VanDerWaalsContact O-CB 3.28Å; Q328-R331 WeakPolarHBondContact O-CB 3.26Å; Q328-R331 WeakPolarHBondContact O-CG 3.21Å; Q328-R331 PolarHBondContact O-N 3.29Å; Q329-R331 PolarHBondContact O-N 2.83Å; Q329-R331 VanDerWaalsContact O-N 3.13Å; R331-F333 PolarHBondContact O-N 3.23Å; R331-F333 VanDerWaalsContact O-N 3.16Å; R331-E334 WeakPolarHBondContact CB-OE1 3.28Å; R331-E334 VanDerWaalsContact CG-OE1 3.24Å; R331-E334 WeakPolarHBondContact CG-OE1 2.96Å; R331-E334 IonicContact NE-OE1 3.09Å; R331-E334 PolarHBondContact NE-OE1 2.91Å; R331-E334 VanDerWaalsContact O-CB 3.24Å; R331-E334 WeakPolarHBondContact O-CB 3.12Å; R331-E334 WeakPolarHBondContact O-CG 3.47Å; R331-E334 PolarHBondContact O-N 2.77Å
332	I	89.6	Confident	83.9	Confident	0 Å²	0	69 Å²	69	0%	0	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-61.2	-23.1	175.9	70.1	-161.8	0	0	0	112.6	I318 L320 Q329 Q330 K348 V350 L360 I362	I318-I332 HydrophobicContact CG2-CG2 3.83Å; L320-I332 HydrophobicContact CB-CG2 4.28Å; L320-I332 HydrophobicContact CD1-CD1 4.16Å; L320-I332 HydrophobicContact CD1-CG2 4.3Å; L320-I332 HydrophobicContact CD2-CD1 3.83Å; L320-I332 HydrophobicContact CD2-CG2 4.21Å; L320-I332 HydrophobicContact CG-CG2 4.5Å; Q329-I332 WeakPolarHBondContact O-CD1 3.44Å; Q329-I332 WeakPolarHBondContact O-CG1 3.4Å; Q329-I332 WeakPolarHBondContact O-CG2 3.49Å; Q329-I332 PolarHBondContact O-N 3.17Å; Q330-I332 PolarHBondContact O-N 2.87Å; Q330-I332 VanDerWaalsContact O-N 3.13Å; I332-K348 PolarHBondContact O-NZ 3.48Å; I332-V350 HydrophobicContact CB-CG2 4.46Å; I332-V350 HydrophobicContact CG2-CG1 3.99Å; I332-V350 HydrophobicContact CG2-CG2 4.46Å; I332-L360 HydrophobicContact CD1-CD1 4.29Å; I332-L360 HydrophobicContact CD1-CD2 3.24Å; I332-L360 HydrophobicContact CD1-CG 4.35Å; I332-L360 HydrophobicContact CG1-CD2 4.26Å; I332-I362 HydrophobicContact CB-CD1 4.23Å; I332-I362 HydrophobicContact CD1-CD1 4.39Å; I332-I362 HydrophobicContact CD1-CG1 4.42Å; I332-I362 HydrophobicContact CG1-CD1 4.48Å; I332-I362 HydrophobicContact CG1-CG1 4.37Å; I332-I362 WeakPolarHBondContact O-CG2 3.43Å
333	F	87.3	Confident	84.1	Confident	99 Å²	99	67.9 Å²	67.9	43%	0.434	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-87.5	-4.2	176.3	-55.9	-67.3	0	0	0	113.5	Q330 R331 L360 T361	Q330-F333 WeakPolarHBondContact O-CB 3.43Å; Q330-F333 WeakPolarHBondContact O-CD2 3.18Å; Q330-F333 PolarHBondContact O-N 3.25Å; R331-F333 PolarHBondContact O-N 3.23Å; R331-F333 VanDerWaalsContact O-N 3.16Å; F333-L360 HydrophobicContact CE1-CD2 4.5Å; F333-L360 HydrophobicContact CE1-CG 4.46Å; F333-L360 HydrophobicContact CE2-CD1 4.47Å; F333-L360 HydrophobicContact CZ-CD1 3.75Å; F333-L360 HydrophobicContact CZ-CD2 4.24Å; F333-L360 HydrophobicContact CZ-CG 4.04Å; F333-T361 WeakPolarHBondContact CE1-O 3.36Å
334	E	89.9	Confident	84.8	Confident	61 Å²	61	66.2 Å²	66.2	29%	0.285	38%	0.378	S	S	.	.	S	Bend	trans	-62.8	148.6	172.8	-69.3	173.5	-154.5	0	0	110.8	K316 R331 K348	K316-E334 IonicContact NZ-OE2 3.53Å; K316-E334 PolarHBondContact NZ-OE2 2.99Å; R331-E334 WeakPolarHBondContact CB-OE1 3.28Å; R331-E334 VanDerWaalsContact CG-OE1 3.24Å; R331-E334 WeakPolarHBondContact CG-OE1 2.96Å; R331-E334 IonicContact NE-OE1 3.09Å; R331-E334 PolarHBondContact NE-OE1 2.91Å; R331-E334 VanDerWaalsContact O-CB 3.24Å; R331-E334 WeakPolarHBondContact O-CB 3.12Å; R331-E334 WeakPolarHBondContact O-CG 3.47Å; R331-E334 PolarHBondContact O-N 2.77Å; E334-K348 PolarHBondContact O-NZ 3.16Å
335	P	91.4	Very high	85.7	Confident	95 Å²	95	67.1 Å²	67.1	62%	0.617	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-66	153.9	174.2	28.3	-34.5	0	0	0	111.5	K316	K316-P335 PolarHBondContact NZ-O 3.31Å
336	P	94.2	Very high	86.7	Confident	57 Å²	57	66.1 Å²	66.1	37%	0.37	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-62.3	160.8	170.9	27.6	-33.9	0	0	0	111.6	D283 K348	D283-P336 WeakPolarHBondContact OD1-CB 3.43Å; P336-K348 HydrophobicContact CB-CB 4.14Å
337	P	93.9	Very high	87.9	Confident	21 Å²	21	63.3 Å²	63.3	14%	0.136	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-62.7	152.1	172.1	27.7	-31.8	0	0	0	110.6	D314 K316 G346 R347	D314-P337 HydrophobicContact CB-CB 4.05Å; D314-P337 HydrophobicContact CB-CG 4.17Å; D314-P337 VanDerWaalsContact O-CG 3.25Å; D314-P337 WeakPolarHBondContact O-CG 3.49Å; K316-P337 HydrophobicContact CB-CG 4.33Å; P337-G346 WeakPolarHBondContact O-CA 3.27Å; P337-R347 WeakPolarHBondContact CD-O 3.37Å
338	P	92.6	Very high	88.8	Confident	103 Å²	103	55.9 Å²	55.9	67%	0.669	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-67.5	155	178.1	29.8	-34.9	0	0	0	111.4
339	N	91.1	Very high	89.7	Confident	72 Å²	72	52.9 Å²	52.9	39%	0.385	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-64.4	145.5	172.7	-62.3	-17.1	0	0	0	110.7	E281 A344 I345 G346	E281-N339 PolarHBondContact OE1-ND2 2.96Å; N339-A344 WeakPolarHBondContact CA-O 3.34Å; N339-I345 WeakPolarHBondContact OD1-CA 3.43Å; N339-G346 PolarHBondContact OD1-N 3.42Å
340	K	88.2	Confident	90.5	Very high	47 Å²	47	52.4 Å²	52.4	20%	0.204	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-72.9	154.4	176.1	-73.8	-172.5	175	169	0	111	P310 V312 D314 S342 G343 A344	P310-K340 PolarHBondContact O-NZ 3.33Å; V312-K340 WeakPolarHBondContact O-CE 3.4Å; V312-K340 PolarHBondContact O-NZ 3.13Å; D314-K340 WeakPolarHBondContact OD1-CE 3.44Å; D314-K340 IonicContact OD1-NZ 2.72Å; D314-K340 PolarHBondContact OD1-NZ 3.39Å; D314-K340 WeakPolarHBondContact OD2-CE 3.37Å; K340-S342 PolarHBondContact O-N 2.84Å; K340-G343 PolarHBondContact O-N 2.83Å; K340-A344 HydrophobicContact CB-CB 4.28Å; K340-A344 PolarHBondContact N-O 2.67Å
341	P	84.6	Confident	91.3	Very high	145 Å²	145	47.7 Å²	47.7	94%	0.942	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.4	175	-24.8	34.2	0	0	0	114.3	G343	P341-G343 PolarHBondContact O-N 3.49Å
342	S	82.4	Confident	91.6	Very high	86 Å²	86	43 Å²	43	60%	0.601	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-5.6	173.8	55.7	0	0	0	0	114.2	K340	K340-S342 PolarHBondContact O-N 2.84Å
343	G	83.8	Confident	91.8	Very high	59 Å²	59	43.7 Å²	43.7	61%	0.608	27%	0.273	S	S	*	.	S	Bend	trans	88.3	-0.2	-173.3	0	0	0	0	0	114.2	K340 P341	K340-G343 PolarHBondContact O-N 2.83Å; P341-G343 PolarHBondContact O-N 3.49Å
344	A	88.1	Confident	92	Very high	19 Å²	19	41 Å²	41	16%	0.157	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-72.4	130.3	179.1	0	0	0	0	0	111.7	Q311 N339 K340	Q311-A344 VanDerWaalsContact O-CB 3.28Å; Q311-A344 WeakPolarHBondContact O-CB 3.32Å; N339-A344 WeakPolarHBondContact CA-O 3.34Å; K340-A344 HydrophobicContact CB-CB 4.28Å; K340-A344 PolarHBondContact N-O 2.67Å
345	I	93	Very high	91.8	Very high	28 Å²	28	38.7 Å²	38.7	14%	0.144	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-76.2	128.8	-170.2	-61.6	169.4	0	0	0	111.3	E279 E281 G313 N339 R347	E279-I345 WeakPolarHBondContact O-CD1 3.34Å; E281-I345 HydrophobicContact CB-CG2 4.5Å; E281-I345 HydrophobicContact CG-CD1 4.3Å; E281-I345 HydrophobicContact CG-CG1 4.45Å; E281-I345 HydrophobicContact CG-CG2 4.07Å; G313-I345 WeakPolarHBondContact CA-O 3.49Å; N339-I345 WeakPolarHBondContact OD1-CA 3.43Å; I345-R347 HydrophobicContact CG2-CG 3.92Å
346	G	93.8	Very high	91.7	Very high	7 Å²	7	34.2 Å²	34.2	7%	0.072	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-79.5	129.4	169.6	0	0	0	0	0	110.6	D314 P337 N339	D314-G346 WeakPolarHBondContact O-CA 3.37Å; P337-G346 WeakPolarHBondContact O-CA 3.27Å; N339-G346 PolarHBondContact OD1-N 3.42Å
347	R	95.4	Very high	91.4	Very high	0 Å²	0	32 Å²	32	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.8	-177	-59.3	-169.2	-172.1	-85.6	0.5	112.7	H275 E278 E280 G282 D314 M315 K316 P337 I345	H275-R347 VanDerWaalsContact ND1-CD 3.34Å; H275-R347 WeakPolarHBondContact ND1-CD 3.22Å; E278-R347 PolarHBondContact O-NH2 2.78Å; E280-R347 VanDerWaalsContact O-CZ 3.25Å; E280-R347 PolarHBondContact O-NH1 2.77Å; E280-R347 PolarHBondContact O-NH2 3.49Å; G282-R347 VanDerWaalsContact N-NH1 3.16Å; G282-R347 PolarHBondContact O-NH1 3.1Å; D314-R347 PolarHBondContact O-N 2.95Å; M315-R347 CarbonylContact C-O 3.6Å; M315-R347 WeakPolarHBondContact CA-O 3.12Å; K316-R347 PolarHBondContact N-O 3.41Å; P337-R347 WeakPolarHBondContact CD-O 3.37Å; I345-R347 HydrophobicContact CG2-CG 3.92Å
348	K	96.7	Very high	90.5	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.017	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.3	164.4	-178.4	178.7	54.5	-177	0	109.2	D283 V284 K316 I318 I332 E334 P336 V350	D283-K348 WeakPolarHBondContact CA-O 3.48Å; D283-K348 HydrophobicContact CB-CB 4.21Å; D283-K348 WeakPolarHBondContact CB-O 3.42Å; D283-K348 VanDerWaalsContact OD1-CB 3.31Å; D283-K348 WeakPolarHBondContact OD1-CB 3.39Å; D283-K348 PolarHBondContact OD1-N 2.85Å; D283-K348 WeakPolarHBondContact OD2-CE 3.43Å; D283-K348 IonicContact OD2-NZ 2.7Å; V284-K348 PolarHBondContact N-O 2.93Å; K316-K348 CarbonylContact O-C 3.53Å; K316-K348 WeakPolarHBondContact O-CA 3.27Å; I318-K348 HydrophobicContact CD1-CD 3.75Å; I318-K348 HydrophobicContact CD1-CG 3.93Å; I318-K348 HydrophobicContact CG1-CG 4.39Å; I332-K348 PolarHBondContact O-NZ 3.48Å; E334-K348 PolarHBondContact O-NZ 3.16Å; P336-K348 HydrophobicContact CB-CB 4.14Å; K348-V350 HydrophobicContact CD-CG2 4.27Å; K348-V350 HydrophobicContact CG-CG2 4.18Å
349	V	97.5	Very high	89.2	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111.7	174	-178.5	0	0	0	0	108.3	V271 V284 M315 K316 I317 I318 V351	V271-V349 HydrophobicContact CG1-CG1 4.04Å; V271-V349 HydrophobicContact CG1-CG2 4.15Å; V271-V349 HydrophobicContact CG2-CG1 4.45Å; V284-V349 HydrophobicContact CB-CB 4.44Å; V284-V349 HydrophobicContact CB-CG1 4.22Å; V284-V349 HydrophobicContact CB-CG2 4.02Å; V284-V349 HydrophobicContact CG1-CG1 4.43Å; V284-V349 HydrophobicContact CG2-CG2 4.19Å; V284-V349 WeakPolarHBondContact O-CA 3.38Å; M315-V349 HydrophobicContact CE-CG2 3.94Å; M315-V349 HydrophobicContact CG-CB 4.42Å; M315-V349 HydrophobicContact CG-CG2 3.65Å; M315-V349 HydrophobicContact SD-CB 4.21Å; M315-V349 HydrophobicContact SD-CG2 3.42Å; M315-V349 WeakPolarHBondContact SD-CG2 3.13Å; K316-V349 PolarHBondContact O-N 3.31Å; I317-V349 CarbonylContact C-O 3.38Å; I317-V349 WeakPolarHBondContact CA-O 3.48Å; I318-V349 PolarHBondContact N-O 3.16Å; V349-V351 HydrophobicContact CG1-CG2 4.05Å
350	V	97.4	Very high	88.4	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.9	174.3	-176.8	0	0	0	0	108.4	V284 L285 L286 I318 L320 I332 K348 I362	V284-V350 PolarHBondContact O-N 3.46Å; L285-V350 WeakPolarHBondContact CA-O 3.28Å; L285-V350 HydrophobicContact CD1-CB 4Å; L285-V350 HydrophobicContact CD1-CG1 3.99Å; L286-V350 PolarHBondContact N-O 3.04Å; I318-V350 WeakPolarHBondContact O-CA 3.24Å; L320-V350 HydrophobicContact CB-CG1 4.12Å; L320-V350 HydrophobicContact CD2-CG1 4.41Å; I332-V350 HydrophobicContact CB-CG2 4.46Å; I332-V350 HydrophobicContact CG2-CG1 3.99Å; I332-V350 HydrophobicContact CG2-CG2 4.46Å; K348-V350 HydrophobicContact CD-CG2 4.27Å; K348-V350 HydrophobicContact CG-CG2 4.18Å; V350-I362 HydrophobicContact CB-CD1 4.31Å; V350-I362 HydrophobicContact CG1-CD1 3.94Å; V350-I362 HydrophobicContact CG2-CD1 4.21Å; V350-I362 HydrophobicContact CG2-CG2 4.49Å
351	V	97.8	Very high	87.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	107.7	178	-171.4	0	0	0	0	107.8	L286 L288 I294 A297 I301 I317 I318 P319 L320 V349	L286-V351 HydrophobicContact CD2-CG1 4.02Å; L286-V351 HydrophobicContact CD2-CG2 4.42Å; L286-V351 HydrophobicContact CG-CG1 4.25Å; L288-V351 HydrophobicContact CD1-CG1 3.53Å; L288-V351 HydrophobicContact CG-CG1 4.23Å; I294-V351 HydrophobicContact CB-CG1 4.32Å; I294-V351 HydrophobicContact CG1-CG1 4.14Å; I294-V351 HydrophobicContact CG2-CB 4.14Å; I294-V351 HydrophobicContact CG2-CG1 3.9Å; I294-V351 WeakPolarHBondContact CG2-O 3.38Å; A297-V351 HydrophobicContact CB-CG1 4.3Å; I301-V351 HydrophobicContact CD1-CG2 4.21Å; I317-V351 HydrophobicContact CG2-CG2 4.35Å; I318-V351 PolarHBondContact O-N 3.21Å; P319-V351 CarbonylContact C-O 3.51Å; P319-V351 WeakPolarHBondContact CA-O 3.33Å; L320-V351 PolarHBondContact N-O 3.14Å; V349-V351 HydrophobicContact CG1-CG2 4.05Å
352	S	95.4	Very high	87.9	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.8	-165.8	-164.2	0	0	0	0	114.5	L286 F287 L288 L320	L286-S352 PolarHBondContact O-N 3.47Å; F287-S352 CarbonylContact C-O 3.53Å; F287-S352 VanDerWaalsContact CA-O 3.28Å; F287-S352 WeakPolarHBondContact CA-O 3.49Å; L288-S352 PolarHBondContact N-O 3.37Å; L320-S352 WeakPolarHBondContact CB-OG 3.47Å; L320-S352 VanDerWaalsContact CD2-OG 3.29Å; L320-S352 WeakPolarHBondContact CD2-OG 3.47Å; L320-S352 WeakPolarHBondContact CG-OG 3.44Å; L320-S352 VanDerWaalsContact O-CA 3.23Å; L320-S352 WeakPolarHBondContact O-CA 3.49Å; L320-S352 PolarHBondContact O-OG 2.93Å
353	T	93.6	Very high	87.9	Confident	14 Å²	14	19.9 Å²	19.9	9%	0.086	13%	0.128	C	C	.	.			trans	-73.1	-173.5	159.5	57.6	0	0	0	0	111.6	F287 L288 I294 L320 I355 A356	F287-T353 WeakPolarHBondContact CD1-O 3.34Å; L288-T353 WeakPolarHBondContact O-CA 3.04Å; I294-T353 HydrophobicContact CD1-CG2 3.52Å; L320-T353 PolarHBondContact O-N 3.36Å; T353-I355 PolarHBondContact O-N 3.29Å; T353-I355 WeakPolarHBondContact OG1-CD1 3.47Å; T353-I355 VanDerWaalsContact OG1-CG1 3.29Å; T353-I355 WeakPolarHBondContact OG1-CG1 3.13Å; T353-I355 PolarHBondContact OG1-N 2.86Å; T353-A356 PolarHBondContact O-N 2.79Å
354	N	90.4	Very high	88.1	Confident	44 Å²	44	18 Å²	18	24%	0.235	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-63.4	4.6	169.9	68.8	-1.9	0	0	0	114.4	R126 A356 E357	R126-N354 PolarHBondContact NH1-O 3.45Å; R126-N354 PolarHBondContact NH1-OD1 3.05Å; N354-A356 PolarHBondContact O-N 3.47Å; N354-E357 HydrophobicContact CB-CB 4.09Å; N354-E357 WeakPolarHBondContact CB-OE2 3.39Å; N354-E357 WeakPolarHBondContact O-CB 3.01Å; N354-E357 PolarHBondContact O-N 3.08Å; N354-E357 VanDerWaalsContact O-N 3.09Å
355	I	86.9	Confident	88.4	Confident	11 Å²	11	17.2 Å²	17.2	6%	0.056	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-61.3	-32	169.6	-67.8	171.1	0	0	0	111.9	L320 S322 T353 E357	L320-I355 HydrophobicContact CD2-CG2 4.5Å; S322-I355 VanDerWaalsContact CA-CD1 3.41Å; T353-I355 PolarHBondContact O-N 3.29Å; T353-I355 WeakPolarHBondContact OG1-CD1 3.47Å; T353-I355 VanDerWaalsContact OG1-CG1 3.29Å; T353-I355 WeakPolarHBondContact OG1-CG1 3.13Å; T353-I355 PolarHBondContact OG1-N 2.86Å; I355-E357 VanDerWaalsContact C-N 3.32Å
356	A	88.7	Confident	88.5	Confident	2 Å²	2	16 Å²	16	2%	0.017	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-86.3	-1.8	175.2	0	0	0	0	0	113.4	L285 F287 L320 T353 N354 R404	L285-A356 HydrophobicContact CD1-CB 3.95Å; L285-A356 HydrophobicContact CD2-CB 4.14Å; F287-A356 HydrophobicContact CE1-CB 3.99Å; F287-A356 HydrophobicContact CZ-CB 4.33Å; L320-A356 HydrophobicContact CD2-CB 4.16Å; T353-A356 PolarHBondContact O-N 2.79Å; N354-A356 PolarHBondContact O-N 3.47Å; A356-R404 WeakPolarHBondContact O-CD 2.98Å
357	E	87.9	Confident	88.7	Confident	10 Å²	10	15.6 Å²	15.6	5%	0.047	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-42.1	-178.8	-172.1	170.8	130.8	0	0	110.7	F287 N354 I355 S397 Q400 R401 R404	F287-E357 HydrophobicContact CE1-CB 4.1Å; N354-E357 HydrophobicContact CB-CB 4.09Å; N354-E357 WeakPolarHBondContact CB-OE2 3.39Å; N354-E357 WeakPolarHBondContact O-CB 3.01Å; N354-E357 PolarHBondContact O-N 3.08Å; N354-E357 VanDerWaalsContact O-N 3.09Å; I355-E357 VanDerWaalsContact C-N 3.32Å; E357-S397 WeakPolarHBondContact OE1-CA 3.48Å; E357-S397 WeakPolarHBondContact OE1-CB 3.5Å; E357-S397 PolarHBondContact OE1-OG 2.94Å; E357-Q400 HydrophobicContact CG-CB 4.07Å; E357-R401 HydrophobicContact CG-CG 3.89Å; E357-R401 IonicContact OE2-CZ 2.83Å; E357-R401 IonicContact OE2-NE 3.77Å; E357-R401 PolarHBondContact OE2-NE 3.46Å; E357-R401 IonicContact OE2-NH2 3.33Å; E357-R401 PolarHBondContact OE2-NH2 2.95Å; E357-R404 PolarHBondContact O-NH1 3.3Å; E357-R404 PolarHBondContact O-NH2 3.34Å; E357-R404 VanDerWaalsContact O-NH2 3.09Å
358	T	74.8	Confident	88.8	Confident	2 Å²	2	15.6 Å²	15.6	1%	0.012	9%	0.093	C	C	.	.	S	Bend	trans	-128.4	167.6	-176.3	53.4	0	0	0	0	110.5	R126 E193 E196 L360	R126-T358 PolarHBondContact NE-OG1 3.42Å; E193-T358 WeakPolarHBondContact OE2-CB 3.43Å; E196-T358 HydrophobicContact CG-CG2 4.27Å; E196-T358 VanDerWaalsContact OE1-CB 3.31Å; E196-T358 WeakPolarHBondContact OE1-CB 3.34Å; E196-T358 PolarHBondContact OE1-OG1 3.22Å; T358-L360 PolarHBondContact O-N 3.05Å
359	S	66.9	Low	88.9	Confident	31 Å²	31	15.4 Å²	15.4	22%	0.217	9%	0.092	C	C	.	.	S	Bend	trans	63.4	-25.3	169.5	-48.9	0	0	0	0	119.7	E193	E193-S359 PolarHBondContact OE2-N 3.45Å
360	L	74.3	Confident	89	Confident	12 Å²	12	15.4 Å²	15.4	6%	0.063	9%	0.092	C	C	.	.			trans	-115	141.6	-175.3	-161.7	106.2	0	0	0	111.8	L320 I332 F333 T358 I362 R407	L320-L360 HydrophobicContact CD2-CD2 4.38Å; I332-L360 HydrophobicContact CD1-CD1 4.29Å; I332-L360 HydrophobicContact CD1-CD2 3.24Å; I332-L360 HydrophobicContact CD1-CG 4.35Å; I332-L360 HydrophobicContact CG1-CD2 4.26Å; F333-L360 HydrophobicContact CE1-CD2 4.5Å; F333-L360 HydrophobicContact CE1-CG 4.46Å; F333-L360 HydrophobicContact CE2-CD1 4.47Å; F333-L360 HydrophobicContact CZ-CD1 3.75Å; F333-L360 HydrophobicContact CZ-CD2 4.24Å; F333-L360 HydrophobicContact CZ-CG 4.04Å; T358-L360 PolarHBondContact O-N 3.05Å; L360-I362 HydrophobicContact CD2-CD1 4.01Å; L360-I362 HydrophobicContact CD2-CG1 3.56Å; L360-R407 PolarHBondContact O-NH1 3Å
361	T	75.2	Confident	89	Confident	49 Å²	49	15.6 Å²	15.6	30%	0.301	9%	0.093	S	C	.	.			trans	-120.9	107.8	176.3	-52.8	0	0	0	0	111.1	F333 R407	F333-T361 WeakPolarHBondContact CE1-O 3.36Å; T361-R407 PolarHBondContact OG1-NH1 3.38Å
362	I	85.7	Confident	89	Confident	13 Å²	13	15.9 Å²	15.9	7%	0.067	10%	0.095	C	C	.	.			trans	-92.5	106	175.1	-53.4	175	0	0	0	107.1	L285 I332 V350 L360 V365	L285-I362 HydrophobicContact CD1-CD1 4.39Å; I332-I362 HydrophobicContact CB-CD1 4.23Å; I332-I362 HydrophobicContact CD1-CD1 4.39Å; I332-I362 HydrophobicContact CD1-CG1 4.42Å; I332-I362 HydrophobicContact CG1-CD1 4.48Å; I332-I362 HydrophobicContact CG1-CG1 4.37Å; I332-I362 WeakPolarHBondContact O-CG2 3.43Å; V350-I362 HydrophobicContact CB-CD1 4.31Å; V350-I362 HydrophobicContact CG1-CD1 3.94Å; V350-I362 HydrophobicContact CG2-CD1 4.21Å; V350-I362 HydrophobicContact CG2-CG2 4.49Å; L360-I362 HydrophobicContact CD2-CD1 4.01Å; L360-I362 HydrophobicContact CD2-CG1 3.56Å; I362-V365 HydrophobicContact CB-CG2 3.83Å; I362-V365 HydrophobicContact CG2-CG2 3.76Å
363	D	82.6	Confident	89	Confident	112 Å²	112	19.3 Å²	19.3	60%	0.599	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	141	176.4	-65.4	-21	0	0	0	110.2
364	G	88.6	Confident	89.1	Confident	19 Å²	19	18.8 Å²	18.8	20%	0.196	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	-11.3	179.2	0	0	0	0	0	115.3	D283 V366	D283-G364 WeakPolarHBondContact CB-O 3.31Å; D283-G364 PolarHBondContact N-O 2.74Å; G364-V366 PolarHBondContact O-N 2.86Å
365	V	94.1	Very high	89	Confident	4 Å²	4	21.1 Å²	21.1	2%	0.024	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	125.5	176.7	177.7	0	0	0	0	110.7	D283 L285 I362 V368	D283-V365 HydrophobicContact CB-CG2 4.32Å; L285-V365 HydrophobicContact CB-CG1 3.73Å; L285-V365 HydrophobicContact CB-CG2 4.31Å; I362-V365 HydrophobicContact CB-CG2 3.83Å; I362-V365 HydrophobicContact CG2-CG2 3.76Å; V365-V368 HydrophobicContact CG1-CG2 4.19Å
366	V	95.7	Very high	89.1	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	-30.3	178.4	177.5	0	0	0	0	110.7	D283 G364 A405 R409 G411 K412	D283-V366 PolarHBondContact O-N 3.45Å; G364-V366 PolarHBondContact O-N 2.86Å; V366-A405 VanDerWaalsContact O-CB 3.3Å; V366-A405 WeakPolarHBondContact O-CB 3.23Å; V366-R409 HydrophobicContact CG2-CG 3.71Å; V366-G411 CarbonylContact O-C 3.57Å; V366-G411 VanDerWaalsContact O-CA 3.23Å; V366-G411 WeakPolarHBondContact O-CA 3.29Å; V366-K412 PolarHBondContact O-N 2.83Å
367	F	97.7	Very high	88.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.5	-178.7	-50.7	-78.5	0	0	0	110	I274 E278 D283 V284 L285 K412 F414	I274-F367 HydrophobicContact CD1-CB 4.21Å; I274-F367 HydrophobicContact CG2-CB 4.11Å; I274-F367 HydrophobicContact CG2-CD1 4.07Å; I274-F367 HydrophobicContact CG2-CD2 3.83Å; I274-F367 HydrophobicContact CG2-CE1 4.48Å; I274-F367 HydrophobicContact CG2-CE2 4.28Å; I274-F367 HydrophobicContact CG2-CG 3.72Å; E278-F367 HydrophobicContact CB-CE1 4.13Å; E278-F367 HydrophobicContact CB-CZ 3.88Å; E278-F367 HydrophobicContact CG-CD1 4.43Å; E278-F367 HydrophobicContact CG-CE1 3.72Å; E278-F367 HydrophobicContact CG-CZ 4.01Å; D283-F367 PolarHBondContact O-N 3.33Å; D283-F367 VanDerWaalsContact O-N 3.11Å; V284-F367 CarbonylContact C-O 3.56Å; V284-F367 WeakPolarHBondContact CA-O 3.48Å; V284-F367 HydrophobicContact CG1-CB 4.5Å; V284-F367 HydrophobicContact CG2-CB 4.21Å; V284-F367 HydrophobicContact CG2-CD2 4.33Å; L285-F367 PolarHBondContact N-O 3.36Å; F367-K412 WeakPolarHBondContact CA-O 3.34Å; F367-K412 HydrophobicContact CD1-CB 4.17Å; F367-K412 HydrophobicContact CD1-CD 4.45Å; F367-K412 HydrophobicContact CE1-CD 4.17Å; F367-F414 HydrophobicContact CD1-CE2 4.12Å
368	V	97.8	Very high	88.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.3	174.1	170.7	0	0	0	0	109.2	L285 F287 V365 R401 R404 A405 K412 C413 F414	L285-V368 HydrophobicContact CB-CG2 4.36Å; L285-V368 CarbonylContact O-C 3.23Å; L285-V368 WeakPolarHBondContact O-CA 3.18Å; F287-V368 HydrophobicContact CD2-CG1 4.06Å; F287-V368 HydrophobicContact CE2-CG1 3.81Å; V365-V368 HydrophobicContact CG1-CG2 4.19Å; V368-R401 HydrophobicContact CG1-CB 4.49Å; V368-R404 HydrophobicContact CG2-CB 3.9Å; V368-A405 HydrophobicContact CB-CB 4.48Å; V368-A405 HydrophobicContact CG2-CB 3.81Å; V368-K412 PolarHBondContact N-O 3.04Å; V368-C413 HydrophobicContact CB-CB 4.33Å; V368-C413 CarbonylContact O-C 3.59Å; V368-C413 WeakPolarHBondContact O-CA 3.39Å; V368-F414 PolarHBondContact O-N 3.41Å
369	I	98.6	Very high	89.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.8	172.6	-53.4	169.5	0	0	0	107.7	T270 V271 I274 V284 L285 L286 F287 L416	T270-I369 HydrophobicContact CG2-CD1 3.83Å; T270-I369 HydrophobicContact CG2-CG1 3.9Å; T270-I369 HydrophobicContact CG2-CG2 4.23Å; V271-I369 HydrophobicContact CB-CD1 4.21Å; V271-I369 HydrophobicContact CG2-CD1 3.32Å; I274-I369 HydrophobicContact CD1-CD1 3.85Å; I274-I369 HydrophobicContact CD1-CG1 3.87Å; V284-I369 HydrophobicContact CG1-CD1 3.76Å; V284-I369 HydrophobicContact CG1-CG1 4.16Å; L285-I369 PolarHBondContact O-N 2.77Å; L286-I369 HydrophobicContact CB-CB 4.46Å; L286-I369 HydrophobicContact CD1-CB 3.74Å; L286-I369 HydrophobicContact CD1-CG2 3.67Å; F287-I369 PolarHBondContact N-O 3.06Å; F287-I369 VanDerWaalsContact N-O 3.1Å; I369-L416 HydrophobicContact CG2-CD1 3.96Å; I369-L416 HydrophobicContact CG2-CD2 4.2Å; I369-L416 HydrophobicContact CG2-CG 4.13Å
370	D	98.4	Very high	90.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	100.5	-176.9	-179.3	26	0	0	0	111.1	G372 R401 F414 R415 L416 Y417	D370-G372 PolarHBondContact O-N 3.28Å; D370-G372 PolarHBondContact OD1-N 3.01Å; D370-R401 VanDerWaalsContact OD1-CD 3.23Å; D370-R401 WeakPolarHBondContact OD1-CD 3.36Å; D370-R401 IonicContact OD1-CZ 3.49Å; D370-R401 IonicContact OD1-NE 2.71Å; D370-R401 IonicContact OD1-NH1 2.63Å; D370-R401 PolarHBondContact OD1-NH1 3.33Å; D370-F414 PolarHBondContact N-O 2.94Å; D370-R415 HydrophobicContact CB-CG 4.38Å; D370-R415 WeakPolarHBondContact O-CA 3.34Å; D370-L416 PolarHBondContact O-N 2.88Å; D370-Y417 VanDerWaalsContact O-CE1 3.31Å; D370-Y417 WeakPolarHBondContact O-CE1 3.46Å; D370-Y417 PolarHBondContact OD2-OH 3.07Å
371	P	98.1	Very high	90.6	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.026	16%	0.161	C	C	.	.			trans	-67.3	-13.8	171.2	-25.5	38.1	0	0	0	114.8	Y263 A267 L286 F287 L288 F373 L416	Y263-P371 HydrophobicContact CD2-CB 3.65Å; Y263-P371 HydrophobicContact CD2-CG 4.28Å; Y263-P371 HydrophobicContact CE2-CB 4.41Å; Y263-P371 HydrophobicContact CG-CB 4.18Å; A267-P371 HydrophobicContact CB-CG 4.34Å; L286-P371 HydrophobicContact CD1-CG 4.15Å; F287-P371 WeakPolarHBondContact O-CD 3.23Å; F287-P371 WeakPolarHBondContact O-CG 3.35Å; L288-P371 HydrophobicContact CD2-CG 4.28Å; P371-F373 HydrophobicContact CB-CD2 4.49Å; P371-F373 VanDerWaalsContact O-CD2 3.25Å; P371-F373 WeakPolarHBondContact O-CD2 3.41Å; P371-F373 WeakPolarHBondContact O-CE2 3.46Å; P371-L416 HydrophobicContact CB-CD1 4.33Å; P371-L416 HydrophobicContact CG-CD1 4.02Å
372	G	97	Very high	90.8	Very high	5 Å²	5	36.8 Å²	36.8	5%	0.052	18%	0.179	C	C	.	.	S	Bend	trans	84.2	11	177.6	0	0	0	0	0	115.4	D370 A392 I393 Y417	D370-G372 PolarHBondContact O-N 3.28Å; D370-G372 PolarHBondContact OD1-N 3.01Å; G372-A392 CarbonylContact O-C 3.45Å; G372-A392 WeakPolarHBondContact O-CA 3.03Å; G372-I393 PolarHBondContact O-N 2.8Å; G372-Y417 VanDerWaalsContact CA-CE1 3.49Å
373	F	96.6	Very high	90.6	Very high	72 Å²	72	37.8 Å²	37.8	32%	0.316	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	156.9	-179.5	-62.7	-77.5	0	0	0	113.6	Y263 T289 P371 V390 T391 A392 R401	Y263-F373 AromaticContact CD1-CD2 3.81Å; Y263-F373 HydrophobicContact CD1-CD2 3.81Å; Y263-F373 AromaticContact CD1-CE2 3.8Å; Y263-F373 HydrophobicContact CD1-CE2 3.8Å; Y263-F373 HydrophobicContact CD2-CD2 4.39Å; Y263-F373 AromaticContact CE1-CD2 4Å; Y263-F373 HydrophobicContact CE1-CD2 4Å; Y263-F373 HydrophobicContact CE1-CE2 4.29Å; Y263-F373 HydrophobicContact CG-CD2 4.03Å; Y263-F373 HydrophobicContact CG-CE2 4.19Å; T289-F373 HydrophobicContact CG2-CB 3.79Å; P371-F373 HydrophobicContact CB-CD2 4.49Å; P371-F373 VanDerWaalsContact O-CD2 3.25Å; P371-F373 WeakPolarHBondContact O-CD2 3.41Å; P371-F373 WeakPolarHBondContact O-CE2 3.46Å; F373-V390 HydrophobicContact CB-CG1 3.9Å; F373-V390 HydrophobicContact CD1-CG1 4.11Å; F373-V390 HydrophobicContact CG-CG1 4.21Å; F373-T391 WeakPolarHBondContact CA-O 3.45Å; F373-A392 HydrophobicContact CE1-CB 4.41Å; F373-R401 PolarHBondContact O-NH1 3.22Å; F373-R401 PolarHBondContact O-NH2 3.48Å
374	A	94.3	Very high	90.5	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.033	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.9	168.2	0	0	0	0	0	110.3	V390 T391 I393	A374-V390 WeakPolarHBondContact O-CA 3.45Å; A374-T391 PolarHBondContact N-O 3.1Å; A374-T391 PolarHBondContact O-N 2.89Å; A374-I393 HydrophobicContact CB-CG2 3.82Å
375	K	90.1	Very high	90.1	Very high	93 Å²	93	34.6 Å²	34.6	40%	0.404	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.1	166.4	-79.5	-178.3	-173.4	-177.3	0	109.9	T289 L389 V390	T289-K375 WeakPolarHBondContact O-CG 3.49Å; K375-L389 CarbonylContact C-O 3.54Å; K375-L389 WeakPolarHBondContact CA-O 3.4Å; K375-V390 HydrophobicContact CG-CG2 3.77Å
376	Q	87.9	Confident	89.5	Confident	38 Å²	38	36.9 Å²	36.9	18%	0.178	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.8	176.4	-67.3	-178.9	-16.1	0	0	110.6	L388 L389 T391	Q376-L388 WeakPolarHBondContact O-CA 3.37Å; Q376-L389 PolarHBondContact N-O 2.83Å; Q376-L389 PolarHBondContact O-N 2.86Å; Q376-T391 WeakPolarHBondContact CG-OG1 3.45Å; Q376-T391 PolarHBondContact OE1-OG1 2.9Å
377	K	84.1	Confident	88.9	Confident	69 Å²	69	37.5 Å²	37.5	30%	0.3	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.9	170.4	-153.2	-175.6	-153.8	-148.4	0	108.8	E386 L388 R436	K377-E386 HydrophobicContact CD-CG 4.25Å; K377-E386 VanDerWaalsContact CD-OE1 3.23Å; K377-E386 WeakPolarHBondContact CD-OE1 3.04Å; K377-E386 WeakPolarHBondContact CE-OE1 3.29Å; K377-E386 WeakPolarHBondContact CE-OE2 3.38Å; K377-E386 HydrophobicContact CG-CG 3.97Å; K377-E386 IonicContact NZ-OE1 3.21Å; K377-E386 PolarHBondContact NZ-OE1 2.93Å; K377-E386 IonicContact NZ-OE2 3.13Å; K377-E386 PolarHBondContact NZ-OE2 3.02Å; K377-L388 HydrophobicContact CB-CD2 4.29Å; K377-R436 PolarHBondContact O-NH1 3.32Å
378	V	87.6	Confident	88.2	Confident	48 Å²	48	42.8 Å²	42.8	29%	0.291	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.1	177.3	-178.3	0	0	0	0	108.5	E386 S387 L389 R436	V378-E386 WeakPolarHBondContact O-CA 3.46Å; V378-S387 PolarHBondContact N-O 2.84Å; V378-S387 PolarHBondContact O-N 2.85Å; V378-L389 HydrophobicContact CB-CD1 4.16Å; V378-L389 HydrophobicContact CG1-CD1 4.43Å; V378-L389 HydrophobicContact CG2-CB 4.29Å; V378-L389 HydrophobicContact CG2-CD1 4.09Å; V378-L389 HydrophobicContact CG2-CG 4.42Å; V378-R436 CarbonylContact C-O 3.56Å; V378-R436 WeakPolarHBondContact CA-O 3.42Å
379	Y	86.9	Confident	87.7	Confident	20 Å²	20	45 Å²	45	8%	0.078	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.9	173.4	-179.9	-113.4	0	0	0	110.1	P381 V385 E386 R436 S437 N438 T467	Y379-P381 HydrophobicContact CD1-CB 4.4Å; Y379-P381 HydrophobicContact CE1-CB 3.84Å; Y379-V385 WeakPolarHBondContact CA-O 3.38Å; Y379-V385 WeakPolarHBondContact CD2-O 3.45Å; Y379-E386 HydrophobicContact CD2-CB 3.99Å; Y379-R436 WeakPolarHBondContact CB-O 3.25Å; Y379-R436 PolarHBondContact N-O 3.2Å; Y379-S437 VanDerWaalsContact CB-C 3.45Å; Y379-N438 HydrophobicContact CD1-CB 4.49Å; Y379-N438 HydrophobicContact CD2-CB 3.79Å; Y379-N438 HydrophobicContact CE2-CB 3.88Å; Y379-N438 HydrophobicContact CG-CB 4.1Å; Y379-T467 HydrophobicContact CD1-CG2 4Å; Y379-T467 HydrophobicContact CE1-CG2 3.97Å
380	N	83.9	Confident	87.3	Confident	68 Å²	68	48 Å²	48	36%	0.364	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	107.9	171.8	-173.9	-24.9	0	0	0	109.3	R382 I383 R384 V385	N380-R382 PolarHBondContact O-N 2.95Å; N380-R382 WeakPolarHBondContact OD1-CB 3.44Å; N380-R382 PolarHBondContact OD1-N 3.4Å; N380-R382 VanDerWaalsContact OD1-N 3.07Å; N380-I383 HydrophobicContact CB-CD1 4.16Å; N380-I383 HydrophobicContact CB-CG1 3.72Å; N380-I383 PolarHBondContact O-N 3.38Å; N380-R384 WeakPolarHBondContact O-CA 3.49Å; N380-R384 PolarHBondContact O-N 3.45Å; N380-V385 PolarHBondContact N-O 2.94Å; N380-V385 PolarHBondContact O-N 2.84Å
381	P	82.8	Confident	87	Confident	22 Å²	22	49.8 Å²	49.8	14%	0.143	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.8	-175.6	27.8	-35.3	0	0	0	113.5	Y379 E466 R470	Y379-P381 HydrophobicContact CD1-CB 4.4Å; Y379-P381 HydrophobicContact CE1-CB 3.84Å; P381-E466 HydrophobicContact CB-CG 4.24Å; P381-R470 HydrophobicContact CB-CG 4.26Å; P381-R470 PolarHBondContact O-NE 2.96Å
382	R	78.1	Confident	86.9	Confident	180 Å²	180	52.3 Å²	52.3	68%	0.679	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-37.1	-178.7	-68.9	-176.8	179.1	-178.5	1.5	113	N380 E466	N380-R382 PolarHBondContact O-N 2.95Å; N380-R382 WeakPolarHBondContact OD1-CB 3.44Å; N380-R382 PolarHBondContact OD1-N 3.4Å; N380-R382 VanDerWaalsContact OD1-N 3.07Å; R382-E466 VanDerWaalsContact CG-OE1 3.32Å; R382-E466 WeakPolarHBondContact CG-OE1 3.35Å
383	I	80.9	Confident	86.8	Confident	35 Å²	35	52.3 Å²	52.3	18%	0.179	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-0.1	178	62	171	0	0	0	112.3	N380 V385 Q649	N380-I383 HydrophobicContact CB-CD1 4.16Å; N380-I383 HydrophobicContact CB-CG1 3.72Å; N380-I383 PolarHBondContact O-N 3.38Å; I383-V385 HydrophobicContact CB-CG2 4.45Å; I383-V385 HydrophobicContact CD1-CB 3.9Å; I383-V385 HydrophobicContact CD1-CG2 3.92Å; I383-V385 HydrophobicContact CG1-CB 3.93Å; I383-V385 HydrophobicContact CG1-CG2 3.98Å; I383-V385 PolarHBondContact O-N 3.36Å; I383-Q649 HydrophobicContact CB-CG 4.31Å; I383-Q649 HydrophobicContact CG2-CG 4.4Å
384	R	80.7	Confident	86.7	Confident	51 Å²	51	49 Å²	49	19%	0.192	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	32.1	178.7	-59.5	174.3	-72.6	161.7	4.1	113.8	N380 D647 Y697	N380-R384 WeakPolarHBondContact O-CA 3.49Å; N380-R384 PolarHBondContact O-N 3.45Å; R384-D647 IonicContact CZ-OD1 2.7Å; R384-D647 IonicContact CZ-OD2 2.81Å; R384-D647 IonicContact NE-OD1 2.88Å; R384-D647 PolarHBondContact NE-OD1 3Å; R384-D647 IonicContact NE-OD2 3.21Å; R384-D647 PolarHBondContact NE-OD2 2.92Å; R384-D647 IonicContact NH2-OD1 2.79Å; R384-D647 PolarHBondContact NH2-OD1 3.2Å; R384-D647 IonicContact NH2-OD2 2.72Å; R384-D647 PolarHBondContact NH2-OD2 3.45Å; R384-Y697 PolarHBondContact NH1-OH 3.09Å; R384-Y697 VanDerWaalsContact NH1-OH 3.16Å; R384-Y697 PolarHBondContact NH2-OH 3.12Å
385	V	80.8	Confident	86.6	Confident	12 Å²	12	50.7 Å²	50.7	7%	0.073	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.6	-178.9	168.7	0	0	0	0	110.3	Y379 N380 I383 F671	Y379-V385 WeakPolarHBondContact CA-O 3.38Å; Y379-V385 WeakPolarHBondContact CD2-O 3.45Å; N380-V385 PolarHBondContact N-O 2.94Å; N380-V385 PolarHBondContact O-N 2.84Å; I383-V385 HydrophobicContact CB-CG2 4.45Å; I383-V385 HydrophobicContact CD1-CB 3.9Å; I383-V385 HydrophobicContact CD1-CG2 3.92Å; I383-V385 HydrophobicContact CG1-CB 3.93Å; I383-V385 HydrophobicContact CG1-CG2 3.98Å; I383-V385 PolarHBondContact O-N 3.36Å; V385-F671 HydrophobicContact CB-CD1 4.42Å; V385-F671 HydrophobicContact CB-CG 4.44Å; V385-F671 HydrophobicContact CG1-CB 3.92Å; V385-F671 HydrophobicContact CG1-CD1 3.38Å; V385-F671 HydrophobicContact CG1-CD2 4.45Å; V385-F671 HydrophobicContact CG1-CE1 3.95Å; V385-F671 HydrophobicContact CG1-CG 3.67Å; V385-F671 HydrophobicContact CG2-CB 4.35Å; V385-F671 HydrophobicContact CG2-CD1 4.13Å; V385-F671 HydrophobicContact CG2-CD2 3.78Å; V385-F671 HydrophobicContact CG2-CE1 4.35Å; V385-F671 HydrophobicContact CG2-CE2 4Å; V385-F671 HydrophobicContact CG2-CG 3.83Å; V385-F671 HydrophobicContact CG2-CZ 4.28Å
386	E	82.5	Confident	86.6	Confident	53 Å²	53	47 Å²	47	25%	0.248	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.9	167.1	-165.1	166.2	-130.9	0	0	109.8	K377 V378 Y379 N438	K377-E386 HydrophobicContact CD-CG 4.25Å; K377-E386 VanDerWaalsContact CD-OE1 3.23Å; K377-E386 WeakPolarHBondContact CD-OE1 3.04Å; K377-E386 WeakPolarHBondContact CE-OE1 3.29Å; K377-E386 WeakPolarHBondContact CE-OE2 3.38Å; K377-E386 HydrophobicContact CG-CG 3.97Å; K377-E386 IonicContact NZ-OE1 3.21Å; K377-E386 PolarHBondContact NZ-OE1 2.93Å; K377-E386 IonicContact NZ-OE2 3.13Å; K377-E386 PolarHBondContact NZ-OE2 3.02Å; V378-E386 WeakPolarHBondContact O-CA 3.46Å; Y379-E386 HydrophobicContact CD2-CB 3.99Å; E386-N438 PolarHBondContact OE1-N 2.92Å
387	S	81.3	Confident	86.7	Confident	13 Å²	13	45.9 Å²	45.9	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	154.7	179.4	-175	0	0	0	0	111.1	V378	V378-S387 PolarHBondContact N-O 2.84Å; V378-S387 PolarHBondContact O-N 2.85Å
388	L	83.1	Confident	87.2	Confident	111 Å²	111	42.6 Å²	42.6	58%	0.581	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.3	168.5	-71.2	171	0	0	0	109.2	Q376 K377	Q376-L388 WeakPolarHBondContact O-CA 3.37Å; K377-L388 HydrophobicContact CB-CD2 4.29Å
389	L	87.4	Confident	87.3	Confident	46 Å²	46	45.9 Å²	45.9	24%	0.241	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.2	178.8	-65.5	179.3	0	0	0	110.5	K375 Q376 V378 T391 L673	K375-L389 CarbonylContact C-O 3.54Å; K375-L389 WeakPolarHBondContact CA-O 3.4Å; Q376-L389 PolarHBondContact N-O 2.83Å; Q376-L389 PolarHBondContact O-N 2.86Å; V378-L389 HydrophobicContact CB-CD1 4.16Å; V378-L389 HydrophobicContact CG1-CD1 4.43Å; V378-L389 HydrophobicContact CG2-CB 4.29Å; V378-L389 HydrophobicContact CG2-CD1 4.09Å; V378-L389 HydrophobicContact CG2-CG 4.42Å; L389-T391 HydrophobicContact CB-CG2 4.19Å; L389-T391 PolarHBondContact O-N 3.01Å; L389-L673 HydrophobicContact CD2-CB 4.22Å; L389-L673 HydrophobicContact CD2-CD2 4.13Å
390	V	90.7	Very high	87.4	Confident	65 Å²	65	45.9 Å²	45.9	39%	0.394	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118.6	167.9	178.2	0	0	0	0	107.6	T289 F373 A374 K375	T289-V390 HydrophobicContact CG2-CG1 3.83Å; T289-V390 HydrophobicContact CG2-CG2 4.38Å; F373-V390 HydrophobicContact CB-CG1 3.9Å; F373-V390 HydrophobicContact CD1-CG1 4.11Å; F373-V390 HydrophobicContact CG-CG1 4.21Å; A374-V390 WeakPolarHBondContact O-CA 3.45Å; K375-V390 HydrophobicContact CG-CG2 3.77Å
391	T	92.1	Very high	87.8	Confident	36 Å²	36	42.7 Å²	42.7	22%	0.221	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157	-177.9	56.7	0	0	0	0	110.5	F373 A374 Q376 L389	F373-T391 WeakPolarHBondContact CA-O 3.45Å; A374-T391 PolarHBondContact N-O 3.1Å; A374-T391 PolarHBondContact O-N 2.89Å; Q376-T391 WeakPolarHBondContact CG-OG1 3.45Å; Q376-T391 PolarHBondContact OE1-OG1 2.9Å; L389-T391 HydrophobicContact CB-CG2 4.19Å; L389-T391 PolarHBondContact O-N 3.01Å
392	A	95.3	Very high	88.3	Confident	58 Å²	58	41.9 Å²	41.9	48%	0.479	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	142.1	172.4	0	0	0	0	0	110.2	G372 F373	G372-A392 CarbonylContact O-C 3.45Å; G372-A392 WeakPolarHBondContact O-CA 3.03Å; F373-A392 HydrophobicContact CE1-CB 4.41Å
393	I	95.7	Very high	88.8	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.026	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-77.4	169.2	176.5	70.2	-177.4	0	0	0	111.4	G372 A374 A398 M426	G372-I393 PolarHBondContact O-N 2.8Å; A374-I393 HydrophobicContact CB-CG2 3.82Å; I393-A398 HydrophobicContact CD1-CB 3.93Å; I393-A398 HydrophobicContact CG1-CB 4.42Å; I393-M426 HydrophobicContact CB-CE 4.45Å; I393-M426 HydrophobicContact CD1-CE 4.23Å; I393-M426 HydrophobicContact CG1-CE 3.33Å; I393-M426 WeakPolarHBondContact O-CE 3.24Å
394	S	93.9	Very high	89.2	Confident	2 Å²	2	33 Å²	33	1%	0.014	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-83.6	164.8	171.5	62.1	0	0	0	0	112.2	A396 S397 A398 Q427 T430	S394-A396 VanDerWaalsContact C-N 3.26Å; S394-A396 PolarHBondContact O-N 3.01Å; S394-S397 WeakPolarHBondContact O-CB 3.27Å; S394-S397 PolarHBondContact O-N 2.76Å; S394-S397 PolarHBondContact OG-N 2.89Å; S394-S397 PolarHBondContact OG-OG 2.87Å; S394-A398 PolarHBondContact O-N 3.36Å; S394-Q427 CarbonylContact C-O 3.57Å; S394-Q427 VanDerWaalsContact CA-O 3.24Å; S394-Q427 WeakPolarHBondContact CA-O 3.33Å; S394-Q427 WeakPolarHBondContact CB-O 3.42Å; S394-T430 VanDerWaalsContact CB-N 3.32Å; S394-T430 WeakPolarHBondContact CB-OG1 2.95Å; S394-T430 PolarHBondContact OG-N 2.89Å; S394-T430 PolarHBondContact OG-OG1 2.89Å
395	K	93.5	Very high	89.7	Confident	39 Å²	39	30.6 Å²	30.6	17%	0.17	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-39.3	171.7	-63.6	-178.8	-167.5	152.1	0	111	A398 Q399 Y422 R423 M426 Q427 D428	K395-A398 PolarHBondContact O-N 2.95Å; K395-Q399 VanDerWaalsContact O-CG 3.31Å; K395-Q399 WeakPolarHBondContact O-CG 3.46Å; K395-Q399 PolarHBondContact O-N 2.9Å; K395-Y422 HydrophobicContact CB-CE2 3.9Å; K395-Y422 HydrophobicContact CD-CE1 4.35Å; K395-Y422 WeakPolarHBondContact CE-O 3.44Å; K395-Y422 HydrophobicContact CG-CD2 4.26Å; K395-Y422 HydrophobicContact CG-CE1 4.45Å; K395-Y422 HydrophobicContact CG-CE2 3.78Å; K395-R423 PolarHBondContact NZ-O 2.84Å; K395-M426 VanDerWaalsContact CE-O 3.28Å; K395-M426 WeakPolarHBondContact CE-O 3.2Å; K395-M426 HydrophobicContact CG-CB 4.08Å; K395-Q427 PolarHBondContact N-O 3.05Å; K395-D428 VanDerWaalsContact CD-OD1 3.29Å; K395-D428 WeakPolarHBondContact CD-OD1 3.43Å; K395-D428 WeakPolarHBondContact CE-OD1 3.5Å; K395-D428 IonicContact NZ-OD1 3.42Å; K395-D428 PolarHBondContact NZ-OD1 3.1Å
396	A	88.7	Confident	89.8	Confident	16 Å²	16	30 Å²	30	13%	0.132	17%	0.173	C	C	.	.	H	α-helix	trans	-57	-49.4	173.6	0	0	0	0	0	111.7	S394 A398 Q399 Q400 D428	S394-A396 VanDerWaalsContact C-N 3.26Å; S394-A396 PolarHBondContact O-N 3.01Å; A396-A398 PolarHBondContact O-N 3.37Å; A396-Q399 PolarHBondContact O-N 2.9Å; A396-Q400 WeakPolarHBondContact O-CG 3.22Å; A396-Q400 PolarHBondContact O-N 2.94Å; A396-D428 WeakPolarHBondContact CB-O 3.34Å; A396-D428 PolarHBondContact N-O 3.01Å
397	S	91.3	Very high	89.7	Confident	15 Å²	15	29.6 Å²	29.6	11%	0.105	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-45.6	174.8	-77.7	0	0	0	0	112.3	E357 S394 Q399 Q400 R401	E357-S397 WeakPolarHBondContact OE1-CA 3.48Å; E357-S397 WeakPolarHBondContact OE1-CB 3.5Å; E357-S397 PolarHBondContact OE1-OG 2.94Å; S394-S397 WeakPolarHBondContact O-CB 3.27Å; S394-S397 PolarHBondContact O-N 2.76Å; S394-S397 PolarHBondContact OG-N 2.89Å; S394-S397 PolarHBondContact OG-OG 2.87Å; S397-Q399 VanDerWaalsContact C-N 3.28Å; S397-Q399 PolarHBondContact O-N 2.92Å; S397-Q400 PolarHBondContact O-N 2.98Å; S397-Q400 VanDerWaalsContact O-N 3.12Å; S397-R401 WeakPolarHBondContact O-CG 3.31Å; S397-R401 PolarHBondContact O-N 3.26Å
398	A	94.1	Very high	89.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-33.8	177.9	0	0	0	0	0	113.1	I393 S394 K395 A396 A402 R415 Y417 Y422 M426	I393-A398 HydrophobicContact CD1-CB 3.93Å; I393-A398 HydrophobicContact CG1-CB 4.42Å; S394-A398 PolarHBondContact O-N 3.36Å; K395-A398 PolarHBondContact O-N 2.95Å; A396-A398 PolarHBondContact O-N 3.37Å; A398-A402 WeakPolarHBondContact O-CB 3.33Å; A398-A402 PolarHBondContact O-N 3.44Å; A398-A402 VanDerWaalsContact O-N 3.12Å; A398-R415 VanDerWaalsContact C-NH2 3.34Å; A398-R415 PolarHBondContact O-NH2 2.7Å; A398-Y417 WeakPolarHBondContact CB-OH 3.22Å; A398-Y422 HydrophobicContact CB-CD2 4.45Å; A398-Y422 HydrophobicContact CB-CE2 3.99Å; A398-M426 HydrophobicContact CB-CE 4.1Å
399	Q	89.9	Confident	89.6	Confident	117 Å²	117	31.1 Å²	31.1	55%	0.547	17%	0.171	S	C	.	.	H	α-helix	trans	-70	-41.3	172.9	-73.3	174.2	-2.1	0	0	111.5	K395 A396 S397 A402 G403 Y422	K395-Q399 VanDerWaalsContact O-CG 3.31Å; K395-Q399 WeakPolarHBondContact O-CG 3.46Å; K395-Q399 PolarHBondContact O-N 2.9Å; A396-Q399 PolarHBondContact O-N 2.9Å; S397-Q399 VanDerWaalsContact C-N 3.28Å; S397-Q399 PolarHBondContact O-N 2.92Å; Q399-A402 PolarHBondContact O-N 3.35Å; Q399-G403 PolarHBondContact O-N 3.48Å; Q399-Y422 PolarHBondContact NE2-OH 2.87Å
400	Q	88.4	Confident	89.8	Confident	20 Å²	20	32.1 Å²	32.1	9%	0.093	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-41	177.5	-71.5	-173.3	-5.4	0	0	112.7	H195 E357 A396 S397 G403 R404	H195-Q400 PolarHBondContact CD2-NE2 3.18Å; H195-Q400 PolarHBondContact NE2-NE2 3.04Å; E357-Q400 HydrophobicContact CG-CB 4.07Å; A396-Q400 WeakPolarHBondContact O-CG 3.22Å; A396-Q400 PolarHBondContact O-N 2.94Å; S397-Q400 PolarHBondContact O-N 2.98Å; S397-Q400 VanDerWaalsContact O-N 3.12Å; Q400-G403 PolarHBondContact O-N 3.14Å; Q400-R404 PolarHBondContact O-N 3.38Å; Q400-R404 PolarHBondContact O-NE 2.94Å; Q400-R404 VanDerWaalsContact O-NE 3.1Å; Q400-R404 PolarHBondContact O-NH2 2.93Å; Q400-R404 VanDerWaalsContact O-NH2 3.1Å
401	R	93.4	Very high	90	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.9	-52.7	172.5	-69.4	-177.7	-177.8	-163.7	-3.8	110.7	F287 E357 V368 D370 F373 S397 G403 R404	F287-R401 HydrophobicContact CD1-CG 4.31Å; F287-R401 HydrophobicContact CD2-CB 4.03Å; F287-R401 HydrophobicContact CD2-CG 3.82Å; F287-R401 HydrophobicContact CE1-CG 4.12Å; F287-R401 HydrophobicContact CE2-CB 3.63Å; F287-R401 HydrophobicContact CE2-CG 3.6Å; F287-R401 HydrophobicContact CG-CG 4.17Å; F287-R401 HydrophobicContact CZ-CB 4.14Å; F287-R401 HydrophobicContact CZ-CG 3.76Å; E357-R401 HydrophobicContact CG-CG 3.89Å; E357-R401 IonicContact OE2-CZ 2.83Å; E357-R401 IonicContact OE2-NE 3.77Å; E357-R401 PolarHBondContact OE2-NE 3.46Å; E357-R401 IonicContact OE2-NH2 3.33Å; E357-R401 PolarHBondContact OE2-NH2 2.95Å; V368-R401 HydrophobicContact CG1-CB 4.49Å; D370-R401 VanDerWaalsContact OD1-CD 3.23Å; D370-R401 WeakPolarHBondContact OD1-CD 3.36Å; D370-R401 IonicContact OD1-CZ 3.49Å; D370-R401 IonicContact OD1-NE 2.71Å; D370-R401 IonicContact OD1-NH1 2.63Å; D370-R401 PolarHBondContact OD1-NH1 3.33Å; F373-R401 PolarHBondContact O-NH1 3.22Å; F373-R401 PolarHBondContact O-NH2 3.48Å; S397-R401 WeakPolarHBondContact O-CG 3.31Å; S397-R401 PolarHBondContact O-N 3.26Å; R401-G403 VanDerWaalsContact C-N 3.29Å; R401-G403 PolarHBondContact O-N 3.03Å; R401-R404 VanDerWaalsContact O-CB 3.28Å; R401-R404 WeakPolarHBondContact O-CB 3.37Å; R401-R404 WeakPolarHBondContact O-CG 3.19Å; R401-R404 PolarHBondContact O-N 2.74Å
402	A	92.5	Very high	90.2	Very high	5 Å²	5	29.6 Å²	29.6	4%	0.041	16%	0.163	C	C	.	.	H	α-helix	trans	-57.7	-41.7	177.3	0	0	0	0	0	112.2	V251 I253 A398 Q399 R404 A405 C413	V251-A402 HydrophobicContact CG1-CB 4.5Å; I253-A402 HydrophobicContact CD1-CB 3.76Å; A398-A402 WeakPolarHBondContact O-CB 3.33Å; A398-A402 PolarHBondContact O-N 3.44Å; A398-A402 VanDerWaalsContact O-N 3.12Å; Q399-A402 PolarHBondContact O-N 3.35Å; A402-R404 PolarHBondContact O-N 2.92Å; A402-A405 WeakPolarHBondContact O-CB 3.3Å; A402-A405 PolarHBondContact O-N 3Å; A402-C413 HydrophobicContact CB-CB 3.82Å
403	G	88.2	Confident	90.3	Very high	20 Å²	20	26.8 Å²	26.8	21%	0.206	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-12.1	177.2	0	0	0	0	0	114.7	Q399 Q400 R401 A405	Q399-G403 PolarHBondContact O-N 3.48Å; Q400-G403 PolarHBondContact O-N 3.14Å; R401-G403 VanDerWaalsContact C-N 3.29Å; R401-G403 PolarHBondContact O-N 3.03Å; G403-A405 VanDerWaalsContact C-N 3.3Å
404	R	90.1	Very high	90.4	Very high	9 Å²	9	28.3 Å²	28.3	3%	0.034	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.5	172.2	-61.2	-51.3	95.8	139.4	17.4	113.1	T94 L285 F287 A356 E357 V368 Q400 R401 A402	T94-R404 VanDerWaalsContact CG2-NH2 3.29Å; T94-R404 PolarHBondContact OG1-NH2 2.87Å; L285-R404 HydrophobicContact CD2-CB 3.84Å; L285-R404 HydrophobicContact CD2-CG 3.84Å; F287-R404 HydrophobicContact CZ-CG 4.25Å; A356-R404 WeakPolarHBondContact O-CD 2.98Å; E357-R404 PolarHBondContact O-NH1 3.3Å; E357-R404 PolarHBondContact O-NH2 3.34Å; E357-R404 VanDerWaalsContact O-NH2 3.09Å; V368-R404 HydrophobicContact CG2-CB 3.9Å; Q400-R404 PolarHBondContact O-N 3.38Å; Q400-R404 PolarHBondContact O-NE 2.94Å; Q400-R404 VanDerWaalsContact O-NE 3.1Å; Q400-R404 PolarHBondContact O-NH2 2.93Å; Q400-R404 VanDerWaalsContact O-NH2 3.1Å; R401-R404 VanDerWaalsContact O-CB 3.28Å; R401-R404 WeakPolarHBondContact O-CB 3.37Å; R401-R404 WeakPolarHBondContact O-CG 3.19Å; R401-R404 PolarHBondContact O-N 2.74Å; A402-R404 PolarHBondContact O-N 2.92Å
405	A	90.4	Very high	90.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-73.4	-36.6	180	0	0	0	0	0	112.9	V251 V366 V368 A402 G403 R407	V251-A405 HydrophobicContact CG1-CB 4Å; V251-A405 HydrophobicContact CG2-CB 4.2Å; V366-A405 VanDerWaalsContact O-CB 3.3Å; V366-A405 WeakPolarHBondContact O-CB 3.23Å; V368-A405 HydrophobicContact CB-CB 4.48Å; V368-A405 HydrophobicContact CG2-CB 3.81Å; A402-A405 WeakPolarHBondContact O-CB 3.3Å; A402-A405 PolarHBondContact O-N 3Å; G403-A405 VanDerWaalsContact C-N 3.3Å; A405-R407 VanDerWaalsContact C-N 3.31Å; A405-R407 PolarHBondContact O-N 3.14Å
406	G	84	Confident	90.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-86.7	19	-170.6	0	0	0	0	0	115.6	T248 H249 V251	T248-G406 CarbonylContact C-O 3.57Å; T248-G406 WeakPolarHBondContact CA-O 3.39Å; H249-G406 PolarHBondContact N-O 3.38Å; V251-G406 VanDerWaalsContact CG2-CA 3.5Å
407	R	80.1	Confident	91.3	Very high	44 Å²	44	27.5 Å²	27.5	17%	0.166	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-86.7	-39.6	-170.7	-76.8	-175.9	165.8	171	-15.5	115	T94 L360 T361 A405	T94-R407 PolarHBondContact OG1-NH2 3.15Å; L360-R407 PolarHBondContact O-NH1 3Å; T361-R407 PolarHBondContact OG1-NH1 3.38Å; A405-R407 VanDerWaalsContact C-N 3.31Å; A405-R407 PolarHBondContact O-N 3.14Å
408	T	75.4	Confident	91.6	Very high	57 Å²	57	27.8 Å²	27.8	35%	0.35	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-30.4	-175.7	58.7	0	0	0	0	112.5
409	R	86.4	Confident	91.8	Very high	99 Å²	99	31.8 Å²	31.8	37%	0.374	16%	0.159	S	C	.	.	S	Bend	trans	-161.3	172.4	-178.9	65.6	-178.7	91.2	173.6	0.5	108.6	H249 E281 V366	H249-R409 WeakPolarHBondContact CB-O 3.2Å; H249-R409 PolarHBondContact CD2-N 3.27Å; H249-R409 VanDerWaalsContact CG-C 3.49Å; E281-R409 PolarHBondContact O-NH1 3.37Å; E281-R409 VanDerWaalsContact O-NH1 3.08Å; V366-R409 HydrophobicContact CG2-CG 3.71Å
410	P	91.6	Very high	92.2	Very high	67 Å²	67	33.4 Å²	33.4	44%	0.435	16%	0.164	S	C	.	.			trans	-53.5	146.3	171.5	-25.4	35.8	0	0	0	111.3	H249 P250	H249-P410 HydrophobicContact CB-CB 4.47Å; H249-P410 HydrophobicContact CB-CG 4.17Å; H249-P410 VanDerWaalsContact CB-N 3.34Å; P250-P410 HydrophobicContact CG-CB 4.29Å; P250-P410 HydrophobicContact CG-CG 4.41Å; P250-P410 WeakPolarHBondContact O-CA 3.37Å
411	G	94.1	Very high	92.6	Very high	6 Å²	6	33 Å²	33	6%	0.062	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	178.2	-174.6	0	0	0	0	0	114	P250 V251 E252 V366	P250-G411 PolarHBondContact O-N 3.07Å; P250-G411 VanDerWaalsContact O-N 3.11Å; V251-G411 CarbonylContact C-O 3.51Å; V251-G411 VanDerWaalsContact CA-O 3.27Å; V251-G411 WeakPolarHBondContact CA-O 3.29Å; E252-G411 PolarHBondContact N-O 3.42Å; V366-G411 CarbonylContact O-C 3.57Å; V366-G411 VanDerWaalsContact O-CA 3.23Å; V366-G411 WeakPolarHBondContact O-CA 3.29Å
412	K	96.8	Very high	92.7	Very high	42 Å²	42	34.5 Å²	34.5	18%	0.183	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.6	-177.2	-60.2	-179.5	179.6	168.3	0	110.4	E252 F254 E278 V366 F367 V368 F414	E252-K412 HydrophobicContact CB-CG 4.37Å; E252-K412 CarbonylContact O-C 3.56Å; E252-K412 WeakPolarHBondContact O-CA 3.29Å; F254-K412 HydrophobicContact CD2-CB 4.35Å; F254-K412 HydrophobicContact CE2-CB 3.92Å; F254-K412 HydrophobicContact CE2-CD 3.83Å; F254-K412 HydrophobicContact CE2-CG 3.87Å; F254-K412 HydrophobicContact CZ-CD 4.32Å; E278-K412 IonicContact OE1-NZ 2.68Å; E278-K412 PolarHBondContact OE1-NZ 3.1Å; E278-K412 IonicContact OE2-NZ 3.72Å; E278-K412 PolarHBondContact OE2-NZ 3.47Å; V366-K412 PolarHBondContact O-N 2.83Å; F367-K412 WeakPolarHBondContact CA-O 3.34Å; F367-K412 HydrophobicContact CD1-CB 4.17Å; F367-K412 HydrophobicContact CD1-CD 4.45Å; F367-K412 HydrophobicContact CE1-CD 4.17Å; V368-K412 PolarHBondContact N-O 3.04Å; K412-F414 HydrophobicContact CB-CE2 3.95Å; K412-F414 HydrophobicContact CB-CZ 4.19Å; K412-F414 HydrophobicContact CD-CZ 4.26Å
413	C	97.9	Very high	92.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119	173.6	-176.8	0	0	0	0	110.3	V251 E252 I253 F254 V368 A402	V251-C413 HydrophobicContact CG1-CB 3.94Å; E252-C413 PolarHBondContact O-N 3.39Å; I253-C413 HydrophobicContact CD1-CB 3.73Å; F254-C413 PolarHBondContact N-O 3.23Å; V368-C413 HydrophobicContact CB-CB 4.33Å; V368-C413 CarbonylContact O-C 3.59Å; V368-C413 WeakPolarHBondContact O-CA 3.39Å; A402-C413 HydrophobicContact CB-CB 3.82Å
414	F	98.4	Very high	93.2	Very high	36 Å²	36	45.5 Å²	45.5	16%	0.158	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	102.7	177.8	-58.9	-87.6	0	0	0	109.5	F254 T270 I274 F367 V368 D370 K412	F254-F414 HydrophobicContact CB-CD1 3.85Å; F254-F414 HydrophobicContact CB-CE1 4.32Å; F254-F414 HydrophobicContact CD2-CD1 4.02Å; F254-F414 AromaticContact CD2-CE1 3.81Å; F254-F414 HydrophobicContact CD2-CE1 3.81Å; F254-F414 HydrophobicContact CD2-CZ 4.3Å; F254-F414 HydrophobicContact CE2-CE1 4.37Å; F254-F414 HydrophobicContact CG-CD1 4.08Å; F254-F414 HydrophobicContact CG-CE1 4.05Å; T270-F414 HydrophobicContact CG2-CB 3.98Å; T270-F414 HydrophobicContact CG2-CD2 4.45Å; T270-F414 HydrophobicContact CG2-CG 4.07Å; I274-F414 HydrophobicContact CD1-CD2 3.58Å; I274-F414 HydrophobicContact CD1-CE2 3.47Å; I274-F414 VanDerWaalsContact CD1-CE2 3.47Å; I274-F414 HydrophobicContact CD1-CG 4.43Å; I274-F414 HydrophobicContact CD1-CZ 4.26Å; I274-F414 HydrophobicContact CG1-CD2 4.29Å; I274-F414 HydrophobicContact CG1-CE2 3.74Å; I274-F414 HydrophobicContact CG1-CZ 4.08Å; F367-F414 HydrophobicContact CD1-CE2 4.12Å; V368-F414 PolarHBondContact O-N 3.41Å; D370-F414 PolarHBondContact N-O 2.94Å; K412-F414 HydrophobicContact CB-CE2 3.95Å; K412-F414 HydrophobicContact CB-CZ 4.19Å; K412-F414 HydrophobicContact CD-CZ 4.26Å
415	R	98.5	Very high	93.4	Very high	9 Å²	9	51.9 Å²	51.9	3%	0.034	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	118.7	176.1	-68.2	178.1	171.6	-179.3	-6.6	109.2	I253 F254 Y255 T256 D370 A398 Y417	I253-R415 HydrophobicContact CG2-CG 4.24Å; F254-R415 WeakPolarHBondContact O-CB 3.18Å; F254-R415 PolarHBondContact O-N 3.3Å; Y255-R415 HydrophobicContact CD1-CB 3.84Å; Y255-R415 HydrophobicContact CE1-CB 4.11Å; Y255-R415 HydrophobicContact CE1-CG 4.35Å; Y255-R415 PolarHBondContact OH-NH1 3.39Å; T256-R415 PolarHBondContact N-O 3.13Å; D370-R415 HydrophobicContact CB-CG 4.38Å; D370-R415 WeakPolarHBondContact O-CA 3.34Å; A398-R415 VanDerWaalsContact C-NH2 3.34Å; A398-R415 PolarHBondContact O-NH2 2.7Å; R415-Y417 HydrophobicContact CB-CD1 4.24Å; R415-Y417 HydrophobicContact CB-CD2 4.15Å; R415-Y417 HydrophobicContact CB-CE1 3.82Å; R415-Y417 HydrophobicContact CB-CE2 3.74Å; R415-Y417 HydrophobicContact CB-CG 4.4Å; R415-Y417 VanDerWaalsContact CD-OH 3.26Å; R415-Y417 WeakPolarHBondContact CD-OH 3.4Å; R415-Y417 HydrophobicContact CG-CE1 4.18Å; R415-Y417 HydrophobicContact CG-CE2 4.03Å; R415-Y417 WeakPolarHBondContact CG-OH 3.35Å; R415-Y417 PolarHBondContact NE-OH 3.33Å; R415-Y417 PolarHBondContact O-N 2.94Å
416	L	98.1	Very high	93.6	Very high	11 Å²	11	52.8 Å²	52.8	6%	0.058	25%	0.25	C	S	.	.	S	Bend	trans	-83.4	37.7	-175.8	-48.4	-177.5	0	0	0	112.6	A266 A267 I369 D370 P371	A266-L416 HydrophobicContact CB-CD1 4.03Å; A267-L416 HydrophobicContact CB-CD1 3.81Å; I369-L416 HydrophobicContact CG2-CD1 3.96Å; I369-L416 HydrophobicContact CG2-CD2 4.2Å; I369-L416 HydrophobicContact CG2-CG 4.13Å; D370-L416 PolarHBondContact O-N 2.88Å; P371-L416 HydrophobicContact CB-CD1 4.33Å; P371-L416 HydrophobicContact CG-CD1 4.02Å
417	Y	98.2	Very high	94.1	Very high	21 Å²	21	57.4 Å²	57.4	8%	0.082	27%	0.272	C	S	.	.	S	Bend	trans	-147.6	161.3	-179.4	45.3	-93.4	0	0	0	109.2	Y255 T256 D370 G372 A398 R415 Y422 M426	Y255-Y417 WeakPolarHBondContact CB-O 3.47Å; Y255-Y417 HydrophobicContact CD1-CD2 4.32Å; Y255-Y417 HydrophobicContact CD1-CE2 4.42Å; Y255-Y417 WeakPolarHBondContact CD1-O 3.5Å; Y255-Y417 HydrophobicContact CE1-CD2 4.41Å; Y255-Y417 HydrophobicContact CE1-CE2 4.14Å; T256-Y417 PolarHBondContact N-O 3.22Å; T256-Y417 VanDerWaalsContact OG1-C 3.3Å; T256-Y417 WeakPolarHBondContact OG1-CA 3.1Å; T256-Y417 PolarHBondContact OG1-N 2.95Å; D370-Y417 VanDerWaalsContact O-CE1 3.31Å; D370-Y417 WeakPolarHBondContact O-CE1 3.46Å; D370-Y417 PolarHBondContact OD2-OH 3.07Å; G372-Y417 VanDerWaalsContact CA-CE1 3.49Å; A398-Y417 WeakPolarHBondContact CB-OH 3.22Å; R415-Y417 HydrophobicContact CB-CD1 4.24Å; R415-Y417 HydrophobicContact CB-CD2 4.15Å; R415-Y417 HydrophobicContact CB-CE1 3.82Å; R415-Y417 HydrophobicContact CB-CE2 3.74Å; R415-Y417 HydrophobicContact CB-CG 4.4Å; R415-Y417 VanDerWaalsContact CD-OH 3.26Å; R415-Y417 WeakPolarHBondContact CD-OH 3.4Å; R415-Y417 HydrophobicContact CG-CE1 4.18Å; R415-Y417 HydrophobicContact CG-CE2 4.03Å; R415-Y417 WeakPolarHBondContact CG-OH 3.35Å; R415-Y417 PolarHBondContact NE-OH 3.33Å; R415-Y417 PolarHBondContact O-N 2.94Å; Y417-Y422 HydrophobicContact CE2-CD2 4.08Å; Y417-Y422 HydrophobicContact CE2-CG 4.46Å; Y417-M426 HydrophobicContact CD2-SD 4.29Å; Y417-M426 HydrophobicContact CE2-SD 3.81Å
418	T	98	Very high	94.6	Very high	20 Å²	20	60.1 Å²	60.1	12%	0.123	29%	0.29	C	S	.	.			trans	-73.9	153.2	-179	69.8	0	0	0	0	111.4	T256 P259 K420 A421 Y422	T256-T418 WeakPolarHBondContact O-CA 3.28Å; P259-T418 HydrophobicContact CG-CG2 4.15Å; T418-K420 PolarHBondContact O-N 2.86Å; T418-A421 PolarHBondContact O-N 3.26Å; T418-A421 VanDerWaalsContact O-N 3.15Å; T418-A421 WeakPolarHBondContact OG1-CB 3.23Å; T418-A421 PolarHBondContact OG1-N 3.45Å; T418-Y422 PolarHBondContact O-N 2.83Å; T418-Y422 VanDerWaalsContact O-N 3.1Å
419	E	97.8	Very high	95.2	Very high	85 Å²	85	61.4 Å²	61.4	40%	0.397	30%	0.295	S	S	.	.	H	α-helix	trans	-60.1	-33.4	172.9	-174	176.2	-163.5	0	0	111.8	Y255 Y422 R423	Y255-E419 HydrophobicContact CD1-CB 4.24Å; Y255-E419 HydrophobicContact CD2-CB 3.79Å; Y255-E419 HydrophobicContact CD2-CG 4.2Å; Y255-E419 HydrophobicContact CE1-CB 4.41Å; Y255-E419 HydrophobicContact CE2-CB 3.98Å; Y255-E419 HydrophobicContact CE2-CG 3.89Å; Y255-E419 HydrophobicContact CG-CB 3.92Å; E419-Y422 WeakPolarHBondContact O-CB 3.47Å; E419-Y422 PolarHBondContact O-N 3.19Å; E419-R423 HydrophobicContact CG-CG 4.49Å; E419-R423 WeakPolarHBondContact O-CG 3.43Å; E419-R423 PolarHBondContact O-N 3.06Å; E419-R423 IonicContact OE1-CZ 3.56Å; E419-R423 IonicContact OE1-NE 3.86Å; E419-R423 PolarHBondContact OE1-NE 3.47Å; E419-R423 IonicContact OE1-NH2 3.63Å; E419-R423 PolarHBondContact OE1-NH2 2.91Å
420	K	97.1	Very high	95.3	Very high	150 Å²	150	59 Å²	59	65%	0.652	29%	0.291	S	S	*	.	H	α-helix	trans	-60.2	-50.1	174.3	-174.6	-176.7	176.1	-172.4	0	110.8	T418 Y422 R423 T424	T418-K420 PolarHBondContact O-N 2.86Å; K420-Y422 VanDerWaalsContact C-N 3.29Å; K420-Y422 PolarHBondContact O-N 2.97Å; K420-R423 PolarHBondContact O-N 3.42Å; K420-T424 PolarHBondContact O-N 3.44Å; K420-T424 PolarHBondContact O-OG1 3.28Å
421	A	96.8	Very high	95.2	Very high	13 Å²	13	62.3 Å²	62.3	11%	0.107	30%	0.296	C	S	.	.	H	α-helix	trans	-57.7	-43.2	177.5	0	0	0	0	0	111.5	T418 R423 E425 M426	T418-A421 PolarHBondContact O-N 3.26Å; T418-A421 VanDerWaalsContact O-N 3.15Å; T418-A421 WeakPolarHBondContact OG1-CB 3.23Å; T418-A421 PolarHBondContact OG1-N 3.45Å; A421-R423 VanDerWaalsContact C-N 3.33Å; A421-R423 PolarHBondContact O-N 2.91Å; A421-E425 WeakPolarHBondContact O-CA 3.43Å; A421-E425 WeakPolarHBondContact O-CB 3.36Å; A421-E425 PolarHBondContact O-N 3.05Å; A421-M426 PolarHBondContact O-N 3.43Å; A421-M426 VanDerWaalsContact O-N 3.12Å
422	Y	97.1	Very high	95.2	Very high	30 Å²	30	62.7 Å²	62.7	12%	0.118	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-43.2	174.5	176.5	-98.3	0	0	0	112.8	Y255 K395 A398 Q399 Y417 T418 E419 K420 M426	Y255-Y422 HydrophobicContact CE1-CG 4.26Å; K395-Y422 HydrophobicContact CB-CE2 3.9Å; K395-Y422 HydrophobicContact CD-CE1 4.35Å; K395-Y422 WeakPolarHBondContact CE-O 3.44Å; K395-Y422 HydrophobicContact CG-CD2 4.26Å; K395-Y422 HydrophobicContact CG-CE1 4.45Å; K395-Y422 HydrophobicContact CG-CE2 3.78Å; A398-Y422 HydrophobicContact CB-CD2 4.45Å; A398-Y422 HydrophobicContact CB-CE2 3.99Å; Q399-Y422 PolarHBondContact NE2-OH 2.87Å; Y417-Y422 HydrophobicContact CE2-CD2 4.08Å; Y417-Y422 HydrophobicContact CE2-CG 4.46Å; T418-Y422 PolarHBondContact O-N 2.83Å; T418-Y422 VanDerWaalsContact O-N 3.1Å; E419-Y422 WeakPolarHBondContact O-CB 3.47Å; E419-Y422 PolarHBondContact O-N 3.19Å; K420-Y422 VanDerWaalsContact C-N 3.29Å; K420-Y422 PolarHBondContact O-N 2.97Å; Y422-M426 HydrophobicContact CD2-SD 3.76Å; Y422-M426 HydrophobicContact CG-SD 4.42Å
423	R	95.5	Very high	94.9	Very high	158 Å²	158	63 Å²	63	60%	0.596	30%	0.299	S	S	*	.	H	α-helix	trans	-78.1	-40.3	-176	-69.1	179.9	-177.8	-158.3	1.7	113.2	K395 E419 K420 A421	K395-R423 PolarHBondContact NZ-O 2.84Å; E419-R423 HydrophobicContact CG-CG 4.49Å; E419-R423 WeakPolarHBondContact O-CG 3.43Å; E419-R423 PolarHBondContact O-N 3.06Å; E419-R423 IonicContact OE1-CZ 3.56Å; E419-R423 IonicContact OE1-NE 3.86Å; E419-R423 PolarHBondContact OE1-NE 3.47Å; E419-R423 IonicContact OE1-NH2 3.63Å; E419-R423 PolarHBondContact OE1-NH2 2.91Å; K420-R423 PolarHBondContact O-N 3.42Å; A421-R423 VanDerWaalsContact C-N 3.33Å; A421-R423 PolarHBondContact O-N 2.91Å
424	T	94.8	Very high	94.7	Very high	98 Å²	98	63 Å²	63	60%	0.601	30%	0.299	S	S	*	.	H	α-helix	trans	-109.1	-25.1	-168	61.6	0	0	0	0	115.2	K420	K420-T424 PolarHBondContact O-N 3.44Å; K420-T424 PolarHBondContact O-OG1 3.28Å
425	E	94.6	Very high	94.4	Very high	143 Å²	143	64.5 Å²	64.5	67%	0.668	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-32.8	-174.6	-60.7	172.8	-150.1	0	0	112.2	A421	A421-E425 WeakPolarHBondContact O-CA 3.43Å; A421-E425 WeakPolarHBondContact O-CB 3.36Å; A421-E425 PolarHBondContact O-N 3.05Å
426	M	94.8	Very high	94	Very high	19 Å²	19	66.3 Å²	66.3	9%	0.094	32%	0.315	C	S	.	.	S	Bend	trans	-81.5	136.1	178.3	-60.7	177.9	76.3	0	0	111.9	I393 K395 A398 Y417 A421 Y422	I393-M426 HydrophobicContact CB-CE 4.45Å; I393-M426 HydrophobicContact CD1-CE 4.23Å; I393-M426 HydrophobicContact CG1-CE 3.33Å; I393-M426 WeakPolarHBondContact O-CE 3.24Å; K395-M426 VanDerWaalsContact CE-O 3.28Å; K395-M426 WeakPolarHBondContact CE-O 3.2Å; K395-M426 HydrophobicContact CG-CB 4.08Å; A398-M426 HydrophobicContact CB-CE 4.1Å; Y417-M426 HydrophobicContact CD2-SD 4.29Å; Y417-M426 HydrophobicContact CE2-SD 3.81Å; A421-M426 PolarHBondContact O-N 3.43Å; A421-M426 VanDerWaalsContact O-N 3.12Å; Y422-M426 HydrophobicContact CD2-SD 3.76Å; Y422-M426 HydrophobicContact CG-SD 4.42Å
427	Q	93.9	Very high	93.6	Very high	98 Å²	98	65.9 Å²	65.9	46%	0.458	31%	0.313	S	S	.	.			trans	-71.4	150.8	173.6	-67.7	169.6	-5.7	0	0	110.8	S394 K395 Y431	S394-Q427 CarbonylContact C-O 3.57Å; S394-Q427 VanDerWaalsContact CA-O 3.24Å; S394-Q427 WeakPolarHBondContact CA-O 3.33Å; S394-Q427 WeakPolarHBondContact CB-O 3.42Å; K395-Q427 PolarHBondContact N-O 3.05Å; Q427-Y431 VanDerWaalsContact OE1-CE2 3.31Å
428	D	90.2	Very high	93.1	Very high	101 Å²	101	66.3 Å²	66.3	54%	0.54	32%	0.317	S	S	.	.	S	Bend	trans	-64.3	-46.2	-180	-64.6	-35.7	0	0	0	111.7	K395 A396	K395-D428 VanDerWaalsContact CD-OD1 3.29Å; K395-D428 WeakPolarHBondContact CD-OD1 3.43Å; K395-D428 WeakPolarHBondContact CE-OD1 3.5Å; K395-D428 IonicContact NZ-OD1 3.42Å; K395-D428 PolarHBondContact NZ-OD1 3.1Å; A396-D428 WeakPolarHBondContact CB-O 3.34Å; A396-D428 PolarHBondContact N-O 3.01Å
429	N	88.3	Confident	92.8	Very high	84 Å²	84	65.6 Å²	65.6	45%	0.449	31%	0.312	S	S	.	.	S	Bend	trans	-126	151.3	179.4	-66	-51.2	0	0	0	111.1
430	T	89	Confident	92.5	Very high	47 Å²	47	61.6 Å²	61.6	29%	0.288	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-70.9	136.5	171.7	-55.2	0	0	0	0	109.2	S394	S394-T430 VanDerWaalsContact CB-N 3.32Å; S394-T430 WeakPolarHBondContact CB-OG1 2.95Å; S394-T430 PolarHBondContact OG-N 2.89Å; S394-T430 PolarHBondContact OG-OG1 2.89Å
431	Y	90.4	Very high	92.2	Very high	138 Å²	138	56 Å²	56	54%	0.541	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-59	134.5	173.9	-76.9	-72.4	0	0	0	111.5	Q427 L435 R436	Q427-Y431 VanDerWaalsContact OE1-CE2 3.31Å; Y431-L435 HydrophobicContact CD1-CD1 4.2Å; Y431-R436 PolarHBondContact O-NE 3.48Å
432	P	92.3	Very high	92	Very high	13 Å²	13	55.9 Å²	55.9	8%	0.084	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-49.6	140	172	-28.8	35.6	0	0	0	111.7	R197 I434 L435 D461	R197-P432 HydrophobicContact CB-CB 4.02Å; R197-P432 HydrophobicContact CB-CG 4.31Å; P432-I434 HydrophobicContact CB-CG2 4.01Å; P432-I434 PolarHBondContact O-N 2.83Å; P432-L435 HydrophobicContact CB-CG 4.43Å; P432-L435 HydrophobicContact CG-CD1 4.45Å; P432-L435 PolarHBondContact O-N 3.35Å; P432-D461 HydrophobicContact CG-CB 4.3Å
433	E	91.6	Very high	91.8	Very high	48 Å²	48	54.5 Å²	54.5	22%	0.224	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-62.8	-28.7	-173.8	-176	171.2	-145.5	0	0	112.7	R197 T198 L199 L435 R436 S437	R197-E433 WeakPolarHBondContact O-CB 3.39Å; R197-E433 PolarHBondContact O-N 2.71Å; T198-E433 VanDerWaalsContact CA-OE2 3.31Å; T198-E433 WeakPolarHBondContact CA-OE2 3.26Å; L199-E433 HydrophobicContact CB-CB 4.47Å; L199-E433 HydrophobicContact CB-CG 4.15Å; L199-E433 PolarHBondContact N-OE2 3.03Å; E433-L435 PolarHBondContact O-N 2.86Å; E433-R436 CarbonylContact O-C 3.55Å; E433-R436 WeakPolarHBondContact O-CG 3.43Å; E433-R436 PolarHBondContact O-N 2.79Å; E433-R436 VanDerWaalsContact O-N 3.08Å; E433-S437 WeakPolarHBondContact CG-OG 3.33Å; E433-S437 WeakPolarHBondContact O-CB 3.41Å; E433-S437 PolarHBondContact O-N 3.39Å; E433-S437 VanDerWaalsContact O-N 3.15Å; E433-S437 PolarHBondContact O-OG 3Å
434	I	93.3	Very high	91.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-58.4	-28.2	174.6	-165	168.8	0	0	0	113.8	L199 I203 P432 R436 L439 F459 D461 P463	L199-I434 HydrophobicContact CD1-CB 3.79Å; L199-I434 HydrophobicContact CD1-CD1 4.43Å; L199-I434 HydrophobicContact CD1-CG1 3.79Å; I203-I434 HydrophobicContact CD1-CD1 4.2Å; P432-I434 HydrophobicContact CB-CG2 4.01Å; P432-I434 PolarHBondContact O-N 2.83Å; I434-R436 VanDerWaalsContact C-N 3.31Å; I434-R436 PolarHBondContact O-N 2.69Å; I434-L439 HydrophobicContact CG1-CD2 3.93Å; I434-F459 HydrophobicContact CD1-CD1 3.45Å; I434-F459 VanDerWaalsContact CD1-CD1 3.45Å; I434-F459 HydrophobicContact CD1-CE1 3.66Å; I434-F459 HydrophobicContact CD1-CG 4.3Å; I434-D461 WeakPolarHBondContact CG2-O 3.34Å; I434-P463 HydrophobicContact CD1-CG 4.5Å; I434-P463 HydrophobicContact CG1-CB 4.29Å; I434-P463 HydrophobicContact CG1-CG 4.48Å
435	L	92	Very high	91.7	Very high	68 Å²	68	43.8 Å²	43.8	36%	0.356	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-82.6	-9.3	179.7	-57.5	-176.2	0	0	0	113.3	Y431 P432 E433 P462	Y431-L435 HydrophobicContact CD1-CD1 4.2Å; P432-L435 HydrophobicContact CB-CG 4.43Å; P432-L435 HydrophobicContact CG-CD1 4.45Å; P432-L435 PolarHBondContact O-N 3.35Å; E433-L435 PolarHBondContact O-N 2.86Å; L435-P462 VanDerWaalsContact CD2-O 3.28Å; L435-P462 WeakPolarHBondContact CD2-O 3.49Å
436	R	90.6	Very high	91.6	Very high	47 Å²	47	37 Å²	37	18%	0.177	18%	0.184	C	C	.	.	S	Bend	trans	-136.8	16.4	-170.1	60.1	177.6	179.9	76.5	6	114.2	K377 V378 Y379 Y431 E433 I434	K377-R436 PolarHBondContact O-NH1 3.32Å; V378-R436 CarbonylContact C-O 3.56Å; V378-R436 WeakPolarHBondContact CA-O 3.42Å; Y379-R436 WeakPolarHBondContact CB-O 3.25Å; Y379-R436 PolarHBondContact N-O 3.2Å; Y431-R436 PolarHBondContact O-NE 3.48Å; E433-R436 CarbonylContact O-C 3.55Å; E433-R436 WeakPolarHBondContact O-CG 3.43Å; E433-R436 PolarHBondContact O-N 2.79Å; E433-R436 VanDerWaalsContact O-N 3.08Å; I434-R436 VanDerWaalsContact C-N 3.31Å; I434-R436 PolarHBondContact O-N 2.69Å
437	S	89.1	Confident	91.5	Very high	1 Å²	1	37 Å²	37	1%	0.007	18%	0.184	C	C	.	.	S	Bend	trans	-125	157.8	-179.2	-56.9	0	0	0	0	112	Y379 E433 L439	Y379-S437 VanDerWaalsContact CB-C 3.45Å; E433-S437 WeakPolarHBondContact CG-OG 3.33Å; E433-S437 WeakPolarHBondContact O-CB 3.41Å; E433-S437 PolarHBondContact O-N 3.39Å; E433-S437 VanDerWaalsContact O-N 3.15Å; E433-S437 PolarHBondContact O-OG 3Å; S437-L439 PolarHBondContact O-N 3.02Å
438	N	87.3	Confident	91.5	Very high	31 Å²	31	34.8 Å²	34.8	17%	0.166	17%	0.173	C	C	.	.			trans	-69.2	127.6	167.7	-174.2	-18.5	0	0	0	109.8	Y379 E386 G440	Y379-N438 HydrophobicContact CD1-CB 4.49Å; Y379-N438 HydrophobicContact CD2-CB 3.79Å; Y379-N438 HydrophobicContact CE2-CB 3.88Å; Y379-N438 HydrophobicContact CG-CB 4.1Å; E386-N438 PolarHBondContact OE1-N 2.92Å; N438-G440 PolarHBondContact OD1-N 3.13Å
439	L	91.7	Very high	91.5	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	15%	0.154	C	C	.	.			trans	-92.8	2.7	-175.9	-56.1	178.4	0	0	0	114	L199 I434 S437 S441 V442 V443 P463 T467 A471	L199-L439 HydrophobicContact CD1-CD2 3.77Å; I434-L439 HydrophobicContact CG1-CD2 3.93Å; S437-L439 PolarHBondContact O-N 3.02Å; L439-S441 PolarHBondContact O-N 3.16Å; L439-V442 WeakPolarHBondContact O-CB 3.25Å; L439-V442 PolarHBondContact O-N 3.27Å; L439-V443 HydrophobicContact CB-CG2 4.24Å; L439-V443 WeakPolarHBondContact O-CG2 3.34Å; L439-V443 PolarHBondContact O-N 3.47Å; L439-P463 HydrophobicContact CD1-CB 3.45Å; L439-P463 VanDerWaalsContact CD1-CB 3.45Å; L439-P463 HydrophobicContact CD1-CG 3.66Å; L439-T467 HydrophobicContact CD1-CG2 3.68Å; L439-T467 HydrophobicContact CG-CG2 3.78Å; L439-A471 HydrophobicContact CB-CB 3.88Å
440	G	92.6	Very high	91.6	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-53	-47.2	-176.5	0	0	0	0	0	114	N438 L444	N438-G440 PolarHBondContact OD1-N 3.13Å; G440-L444 WeakPolarHBondContact O-CB 3.43Å; G440-L444 PolarHBondContact O-N 3.13Å
441	S	91.3	Very high	91.7	Very high	34 Å²	34	29.4 Å²	29.4	24%	0.238	16%	0.155	C	C	.	.	H	α-helix	trans	-66.6	-37.6	177.1	-171.2	0	0	0	0	112.3	L439 L444 Q445	L439-S441 PolarHBondContact O-N 3.16Å; S441-L444 PolarHBondContact O-N 2.98Å; S441-Q445 VanDerWaalsContact O-CG 3.27Å; S441-Q445 WeakPolarHBondContact O-CG 3.46Å; S441-Q445 PolarHBondContact O-N 3.01Å; S441-Q445 PolarHBondContact OG-NE2 2.93Å
442	V	91.1	Very high	91.6	Very high	9 Å²	9	27.7 Å²	27.7	6%	0.055	16%	0.155	C	C	.	.	H	α-helix	trans	-68.7	-47.3	-179.8	165	0	0	0	0	111.9	L199 I203 L439 L444 Q445 L446	L199-V442 HydrophobicContact CD1-CG2 3.83Å; L199-V442 HydrophobicContact CD2-CG2 3.36Å; L199-V442 HydrophobicContact CG-CG2 3.45Å; L199-V442 VanDerWaalsContact CG-CG2 3.45Å; I203-V442 HydrophobicContact CD1-CG1 3.5Å; I203-V442 VanDerWaalsContact CD1-CG1 3.5Å; I203-V442 HydrophobicContact CG1-CG1 3.7Å; I203-V442 HydrophobicContact CG1-CG2 4.34Å; L439-V442 WeakPolarHBondContact O-CB 3.25Å; L439-V442 PolarHBondContact O-N 3.27Å; V442-L444 PolarHBondContact O-N 3.03Å; V442-Q445 PolarHBondContact O-N 2.78Å; V442-Q445 VanDerWaalsContact O-N 3.13Å; V442-L446 HydrophobicContact CG1-CD1 3.8Å; V442-L446 HydrophobicContact CG1-CG 4.21Å; V442-L446 WeakPolarHBondContact O-CB 3.3Å; V442-L446 WeakPolarHBondContact O-CG 3.33Å; V442-L446 PolarHBondContact O-N 3.23Å
443	V	94.3	Very high	91.5	Very high	1 Å²	1	31 Å²	31	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-42.2	177.8	169.8	0	0	0	0	110.2	L439 Q445 L446 K447 L454 L468 A471 L472 L475 L481	L439-V443 HydrophobicContact CB-CG2 4.24Å; L439-V443 WeakPolarHBondContact O-CG2 3.34Å; L439-V443 PolarHBondContact O-N 3.47Å; V443-Q445 VanDerWaalsContact C-N 3.35Å; V443-Q445 PolarHBondContact O-N 2.82Å; V443-L446 PolarHBondContact O-N 2.61Å; V443-K447 HydrophobicContact CG1-CG 4.49Å; V443-K447 WeakPolarHBondContact O-CB 3.45Å; V443-K447 WeakPolarHBondContact O-CG 3.45Å; V443-K447 PolarHBondContact O-N 2.84Å; V443-L454 HydrophobicContact CB-CD1 4.46Å; V443-L454 HydrophobicContact CG1-CD1 3.58Å; V443-L454 HydrophobicContact CG2-CD1 4.3Å; V443-L468 HydrophobicContact CG2-CD1 3.6Å; V443-A471 HydrophobicContact CB-CB 4.34Å; V443-A471 HydrophobicContact CG2-CB 3.74Å; V443-L472 HydrophobicContact CG1-CD2 3.87Å; V443-L472 HydrophobicContact CG1-CG 4.49Å; V443-L475 HydrophobicContact CB-CD1 3.84Å; V443-L475 HydrophobicContact CG1-CD1 3.52Å; V443-L481 HydrophobicContact CG1-CD1 4.49Å
444	L	95.1	Very high	91.4	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-42.9	176.3	-175.3	60.2	0	0	0	112.1	G440 S441 V442 K448 L475 A480 L487 M494 A495 P501	G440-L444 WeakPolarHBondContact O-CB 3.43Å; G440-L444 PolarHBondContact O-N 3.13Å; S441-L444 PolarHBondContact O-N 2.98Å; V442-L444 PolarHBondContact O-N 3.03Å; L444-K448 WeakPolarHBondContact O-CB 3.4Å; L444-K448 PolarHBondContact O-N 3.14Å; L444-L475 HydrophobicContact CB-CD1 4.01Å; L444-L475 HydrophobicContact CB-CD2 4.07Å; L444-L475 HydrophobicContact CD1-CD2 4.37Å; L444-L475 HydrophobicContact CD2-CD2 4.34Å; L444-A480 HydrophobicContact CD1-CB 4.2Å; L444-L487 HydrophobicContact CD1-CD1 3.65Å; L444-M494 HydrophobicContact CD2-CB 4.08Å; L444-A495 HydrophobicContact CD1-CB 4.34Å; L444-A495 HydrophobicContact CD2-CB 4.22Å; L444-A495 HydrophobicContact CG-CB 3.88Å; L444-P501 HydrophobicContact CD2-CB 4.49Å; L444-P501 HydrophobicContact CD2-CG 4.25Å
445	Q	91.6	Very high	91.2	Very high	25 Å²	25	34.3 Å²	34.3	12%	0.117	20%	0.195	C	C	.	.	H	α-helix	trans	-67.5	-42.8	177.3	-71.3	170.9	9.9	0	0	112.5	M178 S441 V442 V443 K448 L449	M178-Q445 HydrophobicContact CE-CG 4.36Å; M178-Q445 HydrophobicContact SD-CB 4.33Å; M178-Q445 HydrophobicContact SD-CG 3.82Å; S441-Q445 VanDerWaalsContact O-CG 3.27Å; S441-Q445 WeakPolarHBondContact O-CG 3.46Å; S441-Q445 PolarHBondContact O-N 3.01Å; S441-Q445 PolarHBondContact OG-NE2 2.93Å; V442-Q445 PolarHBondContact O-N 2.78Å; V442-Q445 VanDerWaalsContact O-N 3.13Å; V443-Q445 VanDerWaalsContact C-N 3.35Å; V443-Q445 PolarHBondContact O-N 2.82Å; Q445-K448 PolarHBondContact O-N 3.09Å; Q445-L449 WeakPolarHBondContact O-CG 3.41Å; Q445-L449 PolarHBondContact O-N 3.06Å
446	L	92.6	Very high	91.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-46.3	175.9	-73.1	173	0	0	0	111.3	I203 V442 V443 K448 L449 G450 I451 L454 F457 F459	I203-L446 HydrophobicContact CD1-CD1 4.27Å; I203-L446 HydrophobicContact CG2-CD2 3.73Å; I203-L446 HydrophobicContact CG2-CG 4.4Å; V442-L446 HydrophobicContact CG1-CD1 3.8Å; V442-L446 HydrophobicContact CG1-CG 4.21Å; V442-L446 WeakPolarHBondContact O-CB 3.3Å; V442-L446 WeakPolarHBondContact O-CG 3.33Å; V442-L446 PolarHBondContact O-N 3.23Å; V443-L446 PolarHBondContact O-N 2.61Å; L446-K448 VanDerWaalsContact C-N 3.31Å; L446-K448 PolarHBondContact O-N 2.9Å; L446-L449 WeakPolarHBondContact O-CB 3.38Å; L446-L449 PolarHBondContact O-N 2.85Å; L446-L449 VanDerWaalsContact O-N 3.11Å; L446-G450 PolarHBondContact O-N 3.39Å; L446-I451 HydrophobicContact CB-CB 4.37Å; L446-I451 HydrophobicContact CD2-CD1 3.54Å; L446-I451 WeakPolarHBondContact O-CB 3.28Å; L446-I451 PolarHBondContact O-N 3.03Å; L446-L454 HydrophobicContact CB-CD2 3.72Å; L446-L454 HydrophobicContact CD1-CD2 3.81Å; L446-L454 HydrophobicContact CG-CD2 4.41Å; L446-F457 HydrophobicContact CD2-CE1 4.43Å; L446-F457 HydrophobicContact CD2-CE2 4.22Å; L446-F457 HydrophobicContact CD2-CZ 4.06Å; L446-F459 HydrophobicContact CD1-CE1 4.37Å; L446-F459 HydrophobicContact CD1-CZ 4.16Å
447	K	93.9	Very high	91.2	Very high	20 Å²	20	37.2 Å²	37.2	9%	0.087	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-40.1	175.2	-75.2	-70.1	-170.4	177	0	112	V443 L449 G450 D452 L481 G485 L487	V443-K447 HydrophobicContact CG1-CG 4.49Å; V443-K447 WeakPolarHBondContact O-CB 3.45Å; V443-K447 WeakPolarHBondContact O-CG 3.45Å; V443-K447 PolarHBondContact O-N 2.84Å; K447-L449 VanDerWaalsContact C-N 3.29Å; K447-L449 PolarHBondContact O-N 3.11Å; K447-G450 PolarHBondContact O-N 2.97Å; K447-D452 PolarHBondContact NZ-O 2.86Å; K447-D452 IonicContact NZ-OD1 3.56Å; K447-L481 HydrophobicContact CB-CD2 4.43Å; K447-L481 HydrophobicContact CG-CD2 4.1Å; K447-G485 WeakPolarHBondContact CE-O 3.22Å; K447-G485 PolarHBondContact NZ-O 2.98Å; K447-L487 HydrophobicContact CB-CB 4.45Å; K447-L487 HydrophobicContact CB-CD1 4.25Å
448	K	92.8	Very high	91.4	Very high	51 Å²	51	40.3 Å²	40.3	22%	0.222	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-29.7	174.8	-179.5	59.5	174.5	-162.7	0	113.4	M178 L444 Q445 L446 G450 L487 S492 A495 E496	M178-K448 HydrophobicContact CB-CG 4.39Å; M178-K448 HydrophobicContact CE-CB 4.33Å; M178-K448 HydrophobicContact CE-CG 3.78Å; M178-K448 HydrophobicContact CG-CG 4.48Å; L444-K448 WeakPolarHBondContact O-CB 3.4Å; L444-K448 PolarHBondContact O-N 3.14Å; Q445-K448 PolarHBondContact O-N 3.09Å; L446-K448 VanDerWaalsContact C-N 3.31Å; L446-K448 PolarHBondContact O-N 2.9Å; K448-G450 PolarHBondContact O-N 3.32Å; K448-L487 HydrophobicContact CB-CD2 4.08Å; K448-L487 HydrophobicContact CD-CD2 4.01Å; K448-S492 PolarHBondContact NZ-OG 3.45Å; K448-A495 HydrophobicContact CB-CB 3.96Å; K448-A495 HydrophobicContact CD-CB 4.44Å; K448-A495 HydrophobicContact CG-CB 3.94Å; K448-E496 WeakPolarHBondContact CE-OE1 3.5Å; K448-E496 IonicContact NZ-OE1 2.77Å; K448-E496 PolarHBondContact NZ-OE1 3.44Å
449	L	90.1	Very high	91.8	Very high	28 Å²	28	39.7 Å²	39.7	15%	0.147	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-3.2	171.4	-72.4	166.2	0	0	0	113.5	L174 A177 M178 V207 Q445 L446 K447 I451	L174-L449 HydrophobicContact CD1-CD1 3.91Å; A177-L449 HydrophobicContact CB-CD2 3.88Å; A177-L449 WeakPolarHBondContact O-CD2 3.42Å; M178-L449 HydrophobicContact CG-CD2 4.34Å; M178-L449 HydrophobicContact CG-CG 4.35Å; V207-L449 HydrophobicContact CG2-CD1 3.85Å; Q445-L449 WeakPolarHBondContact O-CG 3.41Å; Q445-L449 PolarHBondContact O-N 3.06Å; L446-L449 WeakPolarHBondContact O-CB 3.38Å; L446-L449 PolarHBondContact O-N 2.85Å; L446-L449 VanDerWaalsContact O-N 3.11Å; K447-L449 VanDerWaalsContact C-N 3.29Å; K447-L449 PolarHBondContact O-N 3.11Å; L449-I451 HydrophobicContact CB-CD1 4.17Å; L449-I451 HydrophobicContact CB-CG1 4.36Å
450	G	90.3	Very high	91.8	Very high	54 Å²	54	40.3 Å²	40.3	56%	0.557	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.5	18.8	-176.8	0	0	0	0	0	113.8	L446 K447 K448 D452	L446-G450 PolarHBondContact O-N 3.39Å; K447-G450 PolarHBondContact O-N 2.97Å; K448-G450 PolarHBondContact O-N 3.32Å; G450-D452 PolarHBondContact O-N 3.04Å
451	I	91.3	Very high	91.8	Very high	37 Å²	37	41.9 Å²	41.9	19%	0.19	23%	0.231	C	C	.	.			trans	-90.9	97.7	176.7	-59.2	164.8	0	0	0	108.3	V207 L446 L449 L454 F457	V207-I451 HydrophobicContact CG2-CD1 4.27Å; L446-I451 HydrophobicContact CB-CB 4.37Å; L446-I451 HydrophobicContact CD2-CD1 3.54Å; L446-I451 WeakPolarHBondContact O-CB 3.28Å; L446-I451 PolarHBondContact O-N 3.03Å; L449-I451 HydrophobicContact CB-CD1 4.17Å; L449-I451 HydrophobicContact CB-CG1 4.36Å; I451-L454 HydrophobicContact CG2-CD2 4.29Å; I451-F457 HydrophobicContact CD1-CD2 4.04Å; I451-F457 HydrophobicContact CD1-CE2 3.62Å; I451-F457 HydrophobicContact CD1-CZ 4.48Å; I451-F457 HydrophobicContact CG2-CB 4.4Å; I451-F457 HydrophobicContact CG2-CD2 3.67Å; I451-F457 HydrophobicContact CG2-CE2 4.39Å; I451-F457 HydrophobicContact CG2-CG 4.35Å
452	D	89.3	Confident	91.9	Very high	102 Å²	102	44.5 Å²	44.5	55%	0.545	25%	0.247	S	C	.	.			trans	-82.3	-42.5	-176.7	-71.9	-45.5	0	0	0	113.6	K447 G450 L454	K447-D452 PolarHBondContact NZ-O 2.86Å; K447-D452 IonicContact NZ-OD1 3.56Å; G450-D452 PolarHBondContact O-N 3.04Å; D452-L454 PolarHBondContact O-N 3.36Å
453	D	89.3	Confident	92	Very high	82 Å²	82	44.7 Å²	44.7	44%	0.439	25%	0.249	S	C	.	.			trans	-87.7	88.1	-179.5	-168.4	-15.9	0	0	0	111.1	V455 H456 F457	D453-V455 VanDerWaalsContact C-N 3.26Å; D453-V455 PolarHBondContact O-N 2.84Å; D453-V455 PolarHBondContact OD1-N 3.45Å; D453-V455 VanDerWaalsContact OD1-N 3.09Å; D453-H456 IonicContact OD1-CG 2.98Å; D453-H456 PolarHBondContact OD1-N 2.88Å; D453-H456 IonicContact OD1-ND1 2.64Å; D453-H456 PolarHBondContact OD1-ND1 3.32Å; D453-H456 VanDerWaalsContact OD1-ND1 3.11Å; D453-H456 IonicContact OD2-CE1 3.17Å; D453-H456 IonicContact OD2-CG 3.63Å; D453-H456 IonicContact OD2-ND1 3.21Å; D453-H456 PolarHBondContact OD2-ND1 3.06Å; D453-F457 PolarHBondContact O-N 2.95Å; D453-F457 VanDerWaalsContact O-N 3.16Å
454	L	90.5	Very high	91.9	Very high	9 Å²	9	47 Å²	47	5%	0.047	27%	0.268	C	S	.	.	S	Bend	trans	-75.4	-15.5	178.9	-56.6	172.8	0	0	0	113	V443 L446 I451 D452 F459 L468 L472	V443-L454 HydrophobicContact CB-CD1 4.46Å; V443-L454 HydrophobicContact CG1-CD1 3.58Å; V443-L454 HydrophobicContact CG2-CD1 4.3Å; L446-L454 HydrophobicContact CB-CD2 3.72Å; L446-L454 HydrophobicContact CD1-CD2 3.81Å; L446-L454 HydrophobicContact CG-CD2 4.41Å; I451-L454 HydrophobicContact CG2-CD2 4.29Å; D452-L454 PolarHBondContact O-N 3.36Å; L454-F459 WeakPolarHBondContact O-CE2 3.23Å; L454-L468 HydrophobicContact CB-CD1 4.22Å; L454-L468 HydrophobicContact CB-CD2 4.04Å; L454-L468 HydrophobicContact CD1-CD1 4.24Å; L454-L472 HydrophobicContact CD1-CD2 3.9Å
455	V	89	Confident	91.7	Very high	110 Å²	110	51.4 Å²	51.4	67%	0.667	30%	0.297	S	S	*	.	S	Bend	trans	-80.4	-40.2	-179.1	176.7	0	0	0	0	110	D453 L468	D453-V455 VanDerWaalsContact C-N 3.26Å; D453-V455 PolarHBondContact O-N 2.84Å; D453-V455 PolarHBondContact OD1-N 3.45Å; D453-V455 VanDerWaalsContact OD1-N 3.09Å; V455-L468 HydrophobicContact CG2-CD2 4.39Å
456	H	89.4	Confident	91.6	Very high	148 Å²	148	53.6 Å²	53.6	69%	0.685	31%	0.307	S	S	*	.	S	Bend	trans	-97.9	5.3	179	-54.9	100.6	0	0	0	113.6	D453 D458	D453-H456 IonicContact OD1-CG 2.98Å; D453-H456 PolarHBondContact OD1-N 2.88Å; D453-H456 IonicContact OD1-ND1 2.64Å; D453-H456 PolarHBondContact OD1-ND1 3.32Å; D453-H456 VanDerWaalsContact OD1-ND1 3.11Å; D453-H456 IonicContact OD2-CE1 3.17Å; D453-H456 IonicContact OD2-CG 3.63Å; D453-H456 IonicContact OD2-ND1 3.21Å; D453-H456 PolarHBondContact OD2-ND1 3.06Å; H456-D458 PolarHBondContact O-N 2.9Å
457	F	93.4	Very high	91.6	Very high	27 Å²	27	54 Å²	54	12%	0.118	31%	0.31	C	S	.	.	S	Bend	trans	-57.5	132.3	168.8	-178.9	-97.7	0	0	0	109.7	L446 I451 D453 F459	L446-F457 HydrophobicContact CD2-CE1 4.43Å; L446-F457 HydrophobicContact CD2-CE2 4.22Å; L446-F457 HydrophobicContact CD2-CZ 4.06Å; I451-F457 HydrophobicContact CD1-CD2 4.04Å; I451-F457 HydrophobicContact CD1-CE2 3.62Å; I451-F457 HydrophobicContact CD1-CZ 4.48Å; I451-F457 HydrophobicContact CG2-CB 4.4Å; I451-F457 HydrophobicContact CG2-CD2 3.67Å; I451-F457 HydrophobicContact CG2-CE2 4.39Å; I451-F457 HydrophobicContact CG2-CG 4.35Å; D453-F457 PolarHBondContact O-N 2.95Å; D453-F457 VanDerWaalsContact O-N 3.16Å; F457-F459 HydrophobicContact CB-CD2 4.31Å; F457-F459 HydrophobicContact CB-CE2 3.85Å; F457-F459 HydrophobicContact CB-CZ 4.19Å; F457-F459 AromaticContact CD1-CD1 3.49Å; F457-F459 HydrophobicContact CD1-CD1 3.49Å; F457-F459 VanDerWaalsContact CD1-CD1 3.49Å; F457-F459 AromaticContact CD1-CD2 3.74Å; F457-F459 HydrophobicContact CD1-CD2 3.74Å; F457-F459 AromaticContact CD1-CE1 3.33Å; F457-F459 HydrophobicContact CD1-CE1 3.33Å; F457-F459 AromaticContact CD1-CE2 3.59Å; F457-F459 HydrophobicContact CD1-CE2 3.59Å; F457-F459 AromaticContact CD1-CG 3.69Å; F457-F459 HydrophobicContact CD1-CG 3.69Å; F457-F459 AromaticContact CD1-CZ 3.38Å; F457-F459 HydrophobicContact CD1-CZ 3.38Å; F457-F459 AromaticContact CE1-CD1 3.66Å; F457-F459 HydrophobicContact CE1-CD1 3.66Å; F457-F459 AromaticContact CE1-CE1 3.6Å; F457-F459 HydrophobicContact CE1-CE1 3.6Å; F457-F459 HydrophobicContact CE1-CG 4.21Å; F457-F459 HydrophobicContact CE1-CZ 4.12Å; F457-F459 HydrophobicContact CG-CE1 4.45Å; F457-F459 HydrophobicContact CG-CE2 4.19Å; F457-F459 HydrophobicContact CG-CZ 4.15Å; F457-F459 VanDerWaalsContact O-CD2 3.25Å; F457-F459 WeakPolarHBondContact O-CD2 3.32Å; F457-F459 PolarHBondContact O-N 2.82Å
458	D	93.6	Very high	91.5	Very high	67 Å²	67	53.8 Å²	53.8	36%	0.358	31%	0.309	S	S	.	.			trans	-76.8	68.8	-171.1	-168.9	9.9	0	0	0	111.1	K209 Y235 H456	K209-D458 WeakPolarHBondContact CD-OD2 3.48Å; K209-D458 VanDerWaalsContact CE-OD2 3.32Å; K209-D458 WeakPolarHBondContact CE-OD2 3.29Å; K209-D458 IonicContact NZ-OD2 2.92Å; K209-D458 PolarHBondContact NZ-OD2 2.71Å; Y235-D458 VanDerWaalsContact CE2-O 3.32Å; Y235-D458 WeakPolarHBondContact CE2-O 3.46Å; Y235-D458 PolarHBondContact OH-O 3.49Å; H456-D458 PolarHBondContact O-N 2.9Å
459	F	94.3	Very high	91.5	Very high	18 Å²	18	57.6 Å²	57.6	8%	0.079	33%	0.33	C	S	.	.			trans	-69.7	137	171.8	-60.9	-77.8	0	0	0	110.2	I203 I434 L446 L454 F457 D461 P462 P463	I203-F459 HydrophobicContact CD1-CD1 4.12Å; I203-F459 HydrophobicContact CD1-CE1 3.55Å; I434-F459 HydrophobicContact CD1-CD1 3.45Å; I434-F459 VanDerWaalsContact CD1-CD1 3.45Å; I434-F459 HydrophobicContact CD1-CE1 3.66Å; I434-F459 HydrophobicContact CD1-CG 4.3Å; L446-F459 HydrophobicContact CD1-CE1 4.37Å; L446-F459 HydrophobicContact CD1-CZ 4.16Å; L454-F459 WeakPolarHBondContact O-CE2 3.23Å; F457-F459 HydrophobicContact CB-CD2 4.31Å; F457-F459 HydrophobicContact CB-CE2 3.85Å; F457-F459 HydrophobicContact CB-CZ 4.19Å; F457-F459 AromaticContact CD1-CD1 3.49Å; F457-F459 HydrophobicContact CD1-CD1 3.49Å; F457-F459 VanDerWaalsContact CD1-CD1 3.49Å; F457-F459 AromaticContact CD1-CD2 3.74Å; F457-F459 HydrophobicContact CD1-CD2 3.74Å; F457-F459 AromaticContact CD1-CE1 3.33Å; F457-F459 HydrophobicContact CD1-CE1 3.33Å; F457-F459 AromaticContact CD1-CE2 3.59Å; F457-F459 HydrophobicContact CD1-CE2 3.59Å; F457-F459 AromaticContact CD1-CG 3.69Å; F457-F459 HydrophobicContact CD1-CG 3.69Å; F457-F459 AromaticContact CD1-CZ 3.38Å; F457-F459 HydrophobicContact CD1-CZ 3.38Å; F457-F459 AromaticContact CE1-CD1 3.66Å; F457-F459 HydrophobicContact CE1-CD1 3.66Å; F457-F459 AromaticContact CE1-CE1 3.6Å; F457-F459 HydrophobicContact CE1-CE1 3.6Å; F457-F459 HydrophobicContact CE1-CG 4.21Å; F457-F459 HydrophobicContact CE1-CZ 4.12Å; F457-F459 HydrophobicContact CG-CE1 4.45Å; F457-F459 HydrophobicContact CG-CE2 4.19Å; F457-F459 HydrophobicContact CG-CZ 4.15Å; F457-F459 VanDerWaalsContact O-CD2 3.25Å; F457-F459 WeakPolarHBondContact O-CD2 3.32Å; F457-F459 PolarHBondContact O-N 2.82Å; F459-D461 VanDerWaalsContact C-N 3.26Å; F459-D461 PolarHBondContact O-N 3.22Å; F459-P462 HydrophobicContact CB-CB 4.14Å; F459-P462 HydrophobicContact CD2-CB 4.22Å; F459-P463 HydrophobicContact CE2-CG 4.48Å
460	M	92.3	Very high	91.6	Very high	17 Å²	17	59.6 Å²	59.6	8%	0.084	34%	0.335	C	S	.	.	S	Bend	trans	-59.8	-39.3	171.2	177.3	174.2	-66.7	0	0	112.3	R197 M205 K231 F232 Y235	R197-M460 VanDerWaalsContact CZ-SD 3.57Å; M205-M460 HydrophobicContact CE-CB 4.4Å; M205-M460 HydrophobicContact CE-CE 3.83Å; M205-M460 HydrophobicContact CE-SD 3.97Å; M205-M460 HydrophobicContact SD-CE 3.66Å; K231-M460 HydrophobicContact CD-CG 4.22Å; K231-M460 HydrophobicContact CD-SD 4.15Å; K231-M460 HydrophobicContact CG-CG 4.35Å; K231-M460 HydrophobicContact CG-SD 4.19Å; F232-M460 HydrophobicContact CD1-CE 3.53Å; F232-M460 HydrophobicContact CD1-SD 4.11Å; F232-M460 HydrophobicContact CE1-CE 3.9Å; F232-M460 HydrophobicContact CE1-SD 3.93Å; F232-M460 HydrophobicContact CG-CE 4.34Å; Y235-M460 HydrophobicContact CD1-CE 3.66Å; Y235-M460 HydrophobicContact CD2-CB 3.91Å; Y235-M460 HydrophobicContact CD2-CE 4.15Å; Y235-M460 HydrophobicContact CD2-CG 4.32Å; Y235-M460 HydrophobicContact CE1-CE 4.39Å; Y235-M460 HydrophobicContact CE2-CB 3.91Å; Y235-M460 HydrophobicContact CG-CB 4.38Å; Y235-M460 HydrophobicContact CG-CE 3.51Å
461	D	92.9	Very high	91.7	Very high	34 Å²	34	57 Å²	57	18%	0.182	31%	0.309	C	S	.	.	S	Bend	trans	-133.1	102.7	168.9	-72.6	-71.1	0	0	0	107.8	R197 K231 P432 I434 F459	R197-D461 IonicContact CZ-OD2 2.77Å; R197-D461 IonicContact NH1-OD2 3.66Å; R197-D461 PolarHBondContact NH1-OD2 3.23Å; R197-D461 IonicContact NH2-OD2 3.11Å; R197-D461 PolarHBondContact NH2-OD2 3.44Å; K231-D461 IonicContact NZ-OD1 3.28Å; K231-D461 PolarHBondContact NZ-OD1 3Å; K231-D461 IonicContact NZ-OD2 3.56Å; K231-D461 PolarHBondContact NZ-OD2 3.26Å; P432-D461 HydrophobicContact CG-CB 4.3Å; I434-D461 WeakPolarHBondContact CG2-O 3.34Å; F459-D461 VanDerWaalsContact C-N 3.26Å; F459-D461 PolarHBondContact O-N 3.22Å
462	P	93.1	Very high	91.9	Very high	88 Å²	88	57.9 Å²	57.9	57%	0.571	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-67	141.3	-176	25.6	-33.2	0	0	0	111.4	L435 F459	L435-P462 VanDerWaalsContact CD2-O 3.28Å; L435-P462 WeakPolarHBondContact CD2-O 3.49Å; F459-P462 HydrophobicContact CB-CB 4.14Å; F459-P462 HydrophobicContact CD2-CB 4.22Å
463	P	93.4	Very high	92.1	Very high	14 Å²	14	55.5 Å²	55.5	9%	0.091	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-65.9	160.5	175.2	29.3	-34.5	0	0	0	111.6	I434 L439 F459	I434-P463 HydrophobicContact CD1-CG 4.5Å; I434-P463 HydrophobicContact CG1-CB 4.29Å; I434-P463 HydrophobicContact CG1-CG 4.48Å; L439-P463 HydrophobicContact CD1-CB 3.45Å; L439-P463 VanDerWaalsContact CD1-CB 3.45Å; L439-P463 HydrophobicContact CD1-CG 3.66Å; F459-P463 HydrophobicContact CE2-CG 4.48Å
464	A	91.5	Very high	92.3	Very high	50 Å²	50	52.2 Å²	52.2	41%	0.413	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-58.9	135.7	171.1	0	0	0	0	0	110.1	E466 T467 L468	A464-E466 PolarHBondContact O-N 2.84Å; A464-E466 VanDerWaalsContact O-N 3.14Å; A464-T467 WeakPolarHBondContact O-CB 3.47Å; A464-T467 PolarHBondContact O-N 3.38Å; A464-L468 PolarHBondContact O-N 3.34Å
465	P	91.1	Very high	92.6	Very high	98 Å²	98	51.8 Å²	51.8	64%	0.636	28%	0.279	S	S	*	.	H	α-helix	trans	-54.3	-36.7	179.2	-28.8	35.1	0	0	0	113	T467 L468 M469	P465-T467 VanDerWaalsContact C-N 3.35Å; P465-T467 PolarHBondContact O-N 3.26Å; P465-L468 PolarHBondContact O-N 3.33Å; P465-M469 WeakPolarHBondContact O-CB 3.27Å; P465-M469 VanDerWaalsContact O-CG 3.28Å; P465-M469 WeakPolarHBondContact O-CG 3.29Å; P465-M469 PolarHBondContact O-N 2.68Å
466	E	90.6	Very high	93	Very high	70 Å²	70	48 Å²	48	33%	0.327	26%	0.255	S	S	.	.	H	α-helix	trans	-58.6	-43.9	175.6	-171.1	179.6	-174.6	0	0	111.9	P381 R382 A464 L468 M469 R470	P381-E466 HydrophobicContact CB-CG 4.24Å; R382-E466 VanDerWaalsContact CG-OE1 3.32Å; R382-E466 WeakPolarHBondContact CG-OE1 3.35Å; A464-E466 PolarHBondContact O-N 2.84Å; A464-E466 VanDerWaalsContact O-N 3.14Å; E466-L468 PolarHBondContact O-N 2.88Å; E466-M469 PolarHBondContact O-N 2.99Å; E466-R470 WeakPolarHBondContact O-CG 3.35Å; E466-R470 PolarHBondContact O-N 3.39Å
467	T	92	Very high	93.3	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.055	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-40.9	178.2	-54.6	0	0	0	0	111.4	Y379 L439 A464 P465 R470 A471	Y379-T467 HydrophobicContact CD1-CG2 4Å; Y379-T467 HydrophobicContact CE1-CG2 3.97Å; L439-T467 HydrophobicContact CD1-CG2 3.68Å; L439-T467 HydrophobicContact CG-CG2 3.78Å; A464-T467 WeakPolarHBondContact O-CB 3.47Å; A464-T467 PolarHBondContact O-N 3.38Å; P465-T467 VanDerWaalsContact C-N 3.35Å; P465-T467 PolarHBondContact O-N 3.26Å; T467-R470 PolarHBondContact O-N 3.47Å; T467-A471 PolarHBondContact O-N 2.98Å; T467-A471 VanDerWaalsContact O-N 3.1Å
468	L	92.4	Very high	93.5	Very high	16 Å²	16	41.5 Å²	41.5	8%	0.084	22%	0.224	C	C	.	.	H	α-helix	trans	-65.9	-43.2	176.7	-175.1	63	0	0	0	111.3	V443 L454 V455 A464 P465 E466 R470 A471 L472	V443-L468 HydrophobicContact CG2-CD1 3.6Å; L454-L468 HydrophobicContact CB-CD1 4.22Å; L454-L468 HydrophobicContact CB-CD2 4.04Å; L454-L468 HydrophobicContact CD1-CD1 4.24Å; V455-L468 HydrophobicContact CG2-CD2 4.39Å; A464-L468 PolarHBondContact O-N 3.34Å; P465-L468 PolarHBondContact O-N 3.33Å; E466-L468 PolarHBondContact O-N 2.88Å; L468-R470 VanDerWaalsContact C-N 3.34Å; L468-R470 PolarHBondContact O-N 2.79Å; L468-A471 PolarHBondContact O-N 3.18Å; L468-L472 HydrophobicContact CG-CD1 4.42Å; L468-L472 WeakPolarHBondContact O-CG 3.45Å; L468-L472 PolarHBondContact O-N 2.59Å
469	M	91.6	Very high	93.6	Very high	131 Å²	131	40.4 Å²	40.4	65%	0.645	22%	0.224	S	C	*	.	H	α-helix	trans	-60	-42	175	-72.1	177.7	72.9	0	0	111.9	P465 E466 A471 L472 E473	P465-M469 WeakPolarHBondContact O-CB 3.27Å; P465-M469 VanDerWaalsContact O-CG 3.28Å; P465-M469 WeakPolarHBondContact O-CG 3.29Å; P465-M469 PolarHBondContact O-N 2.68Å; E466-M469 PolarHBondContact O-N 2.99Å; M469-A471 VanDerWaalsContact C-N 3.33Å; M469-A471 PolarHBondContact O-N 3.03Å; M469-L472 PolarHBondContact O-N 3.43Å; M469-E473 VanDerWaalsContact O-CB 3.3Å; M469-E473 WeakPolarHBondContact O-CB 3.45Å; M469-E473 PolarHBondContact O-N 3.14Å
470	R	91.5	Very high	93.8	Very high	70 Å²	70	39.5 Å²	39.5	26%	0.264	22%	0.22	S	C	.	.	H	α-helix	trans	-64.4	-36.2	176	-68.9	-55.7	-175.8	-167	-4.6	112.9	P381 E466 T467 L468 E473 L474	P381-R470 HydrophobicContact CB-CG 4.26Å; P381-R470 PolarHBondContact O-NE 2.96Å; E466-R470 WeakPolarHBondContact O-CG 3.35Å; E466-R470 PolarHBondContact O-N 3.39Å; T467-R470 PolarHBondContact O-N 3.47Å; L468-R470 VanDerWaalsContact C-N 3.34Å; L468-R470 PolarHBondContact O-N 2.79Å; R470-E473 WeakPolarHBondContact CD-OE2 3.43Å; R470-E473 IonicContact CZ-OE2 2.62Å; R470-E473 IonicContact NE-OE2 3.65Å; R470-E473 IonicContact NH1-OE1 3.33Å; R470-E473 IonicContact NH1-OE2 3.14Å; R470-E473 PolarHBondContact NH1-OE2 3.26Å; R470-L474 VanDerWaalsContact O-CB 3.22Å; R470-L474 WeakPolarHBondContact O-CB 2.86Å; R470-L474 PolarHBondContact O-N 3.19Å
471	A	93.8	Very high	94	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.7	-41.8	174.7	0	0	0	0	0	111.9	L439 V443 T467 L468 M469 L474 L475	L439-A471 HydrophobicContact CB-CB 3.88Å; V443-A471 HydrophobicContact CB-CB 4.34Å; V443-A471 HydrophobicContact CG2-CB 3.74Å; T467-A471 PolarHBondContact O-N 2.98Å; T467-A471 VanDerWaalsContact O-N 3.1Å; L468-A471 PolarHBondContact O-N 3.18Å; M469-A471 VanDerWaalsContact C-N 3.33Å; M469-A471 PolarHBondContact O-N 3.03Å; A471-L474 PolarHBondContact O-N 3.14Å; A471-L475 VanDerWaalsContact O-CG 3.31Å; A471-L475 WeakPolarHBondContact O-CG 3.14Å; A471-L475 PolarHBondContact O-N 3.16Å
472	L	94.2	Very high	94.1	Very high	55 Å²	55	40 Å²	40	29%	0.288	22%	0.223	S	C	.	.	H	α-helix	trans	-63.4	-45.6	174	-72.3	168.9	0	0	0	111.9	V443 L454 L468 M469 L475 N476 L481	V443-L472 HydrophobicContact CG1-CD2 3.87Å; V443-L472 HydrophobicContact CG1-CG 4.49Å; L454-L472 HydrophobicContact CD1-CD2 3.9Å; L468-L472 HydrophobicContact CG-CD1 4.42Å; L468-L472 WeakPolarHBondContact O-CG 3.45Å; L468-L472 PolarHBondContact O-N 2.59Å; M469-L472 PolarHBondContact O-N 3.43Å; L472-L475 PolarHBondContact O-N 3.09Å; L472-N476 WeakPolarHBondContact O-CB 3.41Å; L472-N476 PolarHBondContact O-N 2.97Å; L472-L481 HydrophobicContact CD2-CD1 3.59Å
473	E	93.7	Very high	94.2	Very high	52 Å²	52	42.5 Å²	42.5	24%	0.243	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-46.1	176.2	-178.3	-174.3	-163.2	0	0	111.2	M469 R470 L475 N476 Y477	M469-E473 VanDerWaalsContact O-CB 3.3Å; M469-E473 WeakPolarHBondContact O-CB 3.45Å; M469-E473 PolarHBondContact O-N 3.14Å; R470-E473 WeakPolarHBondContact CD-OE2 3.43Å; R470-E473 IonicContact CZ-OE2 2.62Å; R470-E473 IonicContact NE-OE2 3.65Å; R470-E473 IonicContact NH1-OE1 3.33Å; R470-E473 IonicContact NH1-OE2 3.14Å; R470-E473 PolarHBondContact NH1-OE2 3.26Å; E473-L475 PolarHBondContact O-N 3.01Å; E473-N476 PolarHBondContact O-N 3.5Å; E473-Y477 HydrophobicContact CG-CD2 3.79Å; E473-Y477 HydrophobicContact CG-CE2 3.26Å; E473-Y477 VanDerWaalsContact O-CD2 3.27Å; E473-Y477 WeakPolarHBondContact O-CD2 3.37Å; E473-Y477 PolarHBondContact O-N 2.83Å; E473-Y477 VanDerWaalsContact OE1-CE2 3.22Å; E473-Y477 WeakPolarHBondContact OE1-CE2 3.33Å; E473-Y477 PolarHBondContact OE1-OH 2.96Å
474	L	94.8	Very high	94.1	Very high	14 Å²	14	48.2 Å²	48.2	7%	0.073	26%	0.262	C	S	.	.	H	α-helix	trans	-55.3	-49.4	174.8	168.2	61	0	0	0	111.4	R470 A471 Y477 L478 Q502 M631	R470-L474 VanDerWaalsContact O-CB 3.22Å; R470-L474 WeakPolarHBondContact O-CB 2.86Å; R470-L474 PolarHBondContact O-N 3.19Å; A471-L474 PolarHBondContact O-N 3.14Å; L474-Y477 PolarHBondContact O-N 2.95Å; L474-L478 HydrophobicContact CD1-CD1 3.78Å; L474-L478 HydrophobicContact CD1-CG 4.25Å; L474-L478 HydrophobicContact CG-CD1 4.12Å; L474-L478 VanDerWaalsContact O-CG 3.29Å; L474-L478 WeakPolarHBondContact O-CG 3.15Å; L474-L478 PolarHBondContact O-N 3.21Å; L474-Q502 HydrophobicContact CD1-CG 4.49Å; L474-M631 HydrophobicContact CD1-CE 3.17Å; L474-M631 HydrophobicContact CD1-SD 3.72Å
475	L	96.7	Very high	94.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-71.4	-32	-178	-67.6	173.7	0	0	0	112.8	V443 L444 A471 L472 E473 L478 A479 A480 L481 P501	V443-L475 HydrophobicContact CB-CD1 3.84Å; V443-L475 HydrophobicContact CG1-CD1 3.52Å; L444-L475 HydrophobicContact CB-CD1 4.01Å; L444-L475 HydrophobicContact CB-CD2 4.07Å; L444-L475 HydrophobicContact CD1-CD2 4.37Å; L444-L475 HydrophobicContact CD2-CD2 4.34Å; A471-L475 VanDerWaalsContact O-CG 3.31Å; A471-L475 WeakPolarHBondContact O-CG 3.14Å; A471-L475 PolarHBondContact O-N 3.16Å; L472-L475 PolarHBondContact O-N 3.09Å; E473-L475 PolarHBondContact O-N 3.01Å; L475-L478 PolarHBondContact O-N 2.87Å; L475-A479 PolarHBondContact O-N 2.76Å; L475-A480 HydrophobicContact CB-CB 4.19Å; L475-A480 HydrophobicContact CD2-CB 4.02Å; L475-A480 WeakPolarHBondContact O-CB 3.45Å; L475-A480 PolarHBondContact O-N 3.16Å; L475-L481 HydrophobicContact CB-CB 4.46Å; L475-L481 HydrophobicContact CB-CD1 3.77Å; L475-L481 HydrophobicContact CB-CG 3.79Å; L475-L481 HydrophobicContact CD1-CD1 3.96Å; L475-L481 HydrophobicContact CD1-CG 4.34Å; L475-L481 PolarHBondContact O-N 2.87Å; L475-P501 HydrophobicContact CD2-CB 3.77Å; L475-P501 HydrophobicContact CD2-CG 3.86Å
476	N	96.8	Very high	94.4	Very high	31 Å²	31	45.3 Å²	45.3	17%	0.166	24%	0.238	C	C	.	.	H	α-helix	trans	-65.6	-47.4	171.5	177.6	-96.1	0	0	0	111	L472 E473 L478 A479 N482 D483 Q696	L472-N476 WeakPolarHBondContact O-CB 3.41Å; L472-N476 PolarHBondContact O-N 2.97Å; E473-N476 PolarHBondContact O-N 3.5Å; N476-L478 PolarHBondContact O-N 2.89Å; N476-A479 WeakPolarHBondContact O-CA 3.36Å; N476-A479 PolarHBondContact O-N 2.92Å; N476-N482 PolarHBondContact ND2-O 2.79Å; N476-D483 PolarHBondContact ND2-OD1 3.17Å; N476-Q696 PolarHBondContact OD1-NE2 2.79Å
477	Y	96.1	Very high	94.7	Very high	38 Å²	38	44.3 Å²	44.3	15%	0.149	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-31.8	175.3	-71.5	-47.1	0	0	0	113.3	E473 L474 A479 F630 M631 Q696 Y697	E473-Y477 HydrophobicContact CG-CD2 3.79Å; E473-Y477 HydrophobicContact CG-CE2 3.26Å; E473-Y477 VanDerWaalsContact O-CD2 3.27Å; E473-Y477 WeakPolarHBondContact O-CD2 3.37Å; E473-Y477 PolarHBondContact O-N 2.83Å; E473-Y477 VanDerWaalsContact OE1-CE2 3.22Å; E473-Y477 WeakPolarHBondContact OE1-CE2 3.33Å; E473-Y477 PolarHBondContact OE1-OH 2.96Å; L474-Y477 PolarHBondContact O-N 2.95Å; Y477-A479 PolarHBondContact O-N 3.26Å; Y477-F630 WeakPolarHBondContact O-CZ 3.24Å; Y477-M631 HydrophobicContact CD2-SD 4.1Å; Y477-Q696 HydrophobicContact CD1-CG 4.11Å; Y477-Q696 HydrophobicContact CE1-CG 4.21Å; Y477-Y697 HydrophobicContact CD1-CD2 4.26Å; Y477-Y697 AromaticContact CD2-CD2 3.81Å; Y477-Y697 HydrophobicContact CD2-CD2 3.81Å; Y477-Y697 HydrophobicContact CD2-CE2 4.29Å; Y477-Y697 HydrophobicContact CE1-CD2 4.13Å; Y477-Y697 AromaticContact CE2-CD2 3.65Å; Y477-Y697 HydrophobicContact CE2-CD2 3.65Å; Y477-Y697 AromaticContact CE2-CE2 3.95Å; Y477-Y697 HydrophobicContact CE2-CE2 3.95Å; Y477-Y697 HydrophobicContact CG-CD2 4.13Å; Y477-Y697 AromaticContact CZ-CD2 3.86Å
478	L	96.9	Very high	94.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.5	173.6	-68.4	170.4	0	0	0	113	L474 L475 N476 A480 M494 P501 Q502 K505 F630 M631	L474-L478 HydrophobicContact CD1-CD1 3.78Å; L474-L478 HydrophobicContact CD1-CG 4.25Å; L474-L478 HydrophobicContact CG-CD1 4.12Å; L474-L478 VanDerWaalsContact O-CG 3.29Å; L474-L478 WeakPolarHBondContact O-CG 3.15Å; L474-L478 PolarHBondContact O-N 3.21Å; L475-L478 PolarHBondContact O-N 2.87Å; N476-L478 PolarHBondContact O-N 2.89Å; L478-A480 PolarHBondContact O-N 3.49Å; L478-M494 HydrophobicContact CB-CE 4.28Å; L478-M494 HydrophobicContact CD1-CE 4.31Å; L478-P501 HydrophobicContact CD1-CB 3.58Å; L478-Q502 HydrophobicContact CD1-CG 4.43Å; L478-K505 HydrophobicContact CD2-CB 4.01Å; L478-K505 HydrophobicContact CD2-CG 3.96Å; L478-K505 WeakPolarHBondContact O-CD 3.28Å; L478-K505 WeakPolarHBondContact O-CE 3.36Å; L478-K505 PolarHBondContact O-NZ 3.32Å; L478-F630 HydrophobicContact CD2-CE1 3.81Å; L478-F630 HydrophobicContact CD2-CZ 4.17Å; L478-M631 HydrophobicContact CD2-CE 4.27Å; L478-M631 HydrophobicContact CG-CE 4.33Å
479	A	97	Very high	95.1	Very high	43 Å²	43	53.5 Å²	53.5	36%	0.355	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	24.2	-170.8	0	0	0	0	0	113.7	L475 N476 Y477 T488 L490	L475-A479 PolarHBondContact O-N 2.76Å; N476-A479 WeakPolarHBondContact O-CA 3.36Å; N476-A479 PolarHBondContact O-N 2.92Å; Y477-A479 PolarHBondContact O-N 3.26Å; A479-T488 PolarHBondContact O-OG1 3.01Å; A479-L490 HydrophobicContact CB-CD2 4.25Å
480	A	97.4	Very high	95.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-77.7	-28.8	171.7	0	0	0	0	0	111.7	L444 L475 L478 T488 G491 M494	L444-A480 HydrophobicContact CD1-CB 4.2Å; L475-A480 HydrophobicContact CB-CB 4.19Å; L475-A480 HydrophobicContact CD2-CB 4.02Å; L475-A480 WeakPolarHBondContact O-CB 3.45Å; L475-A480 PolarHBondContact O-N 3.16Å; L478-A480 PolarHBondContact O-N 3.49Å; A480-T488 PolarHBondContact O-N 3.44Å; A480-T488 PolarHBondContact O-OG1 3.1Å; A480-T488 VanDerWaalsContact O-OG1 3.1Å; A480-G491 WeakPolarHBondContact O-CA 3.3Å; A480-M494 HydrophobicContact CB-CE 3.82Å; A480-M494 HydrophobicContact CB-SD 3.84Å
481	L	97	Very high	95.6	Very high	4 Å²	4	46 Å²	46	2%	0.021	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-118.6	147.2	169.7	-58.7	178.1	0	0	0	109.8	V443 K447 L472 L475 D486 L487	V443-L481 HydrophobicContact CG1-CD1 4.49Å; K447-L481 HydrophobicContact CB-CD2 4.43Å; K447-L481 HydrophobicContact CG-CD2 4.1Å; L472-L481 HydrophobicContact CD2-CD1 3.59Å; L475-L481 HydrophobicContact CB-CB 4.46Å; L475-L481 HydrophobicContact CB-CD1 3.77Å; L475-L481 HydrophobicContact CB-CG 3.79Å; L475-L481 HydrophobicContact CD1-CD1 3.96Å; L475-L481 HydrophobicContact CD1-CG 4.34Å; L475-L481 PolarHBondContact O-N 2.87Å; L481-D486 VanDerWaalsContact CA-O 3.25Å; L481-D486 WeakPolarHBondContact CA-O 3.38Å; L481-L487 HydrophobicContact CD2-CB 4.49Å; L481-L487 HydrophobicContact CD2-CD1 4.14Å
482	N	95.5	Very high	95.6	Very high	57 Å²	57	47.8 Å²	47.8	31%	0.305	26%	0.259	S	S	.	.			trans	-79.3	-178.4	169.6	70.4	13.1	0	0	0	110.8	N476 N484 G485 D486 T488	N476-N482 PolarHBondContact ND2-O 2.79Å; N482-N484 PolarHBondContact O-N 2.97Å; N482-N484 WeakPolarHBondContact OD1-CA 3.44Å; N482-N484 WeakPolarHBondContact OD1-CB 3.48Å; N482-N484 PolarHBondContact OD1-N 2.96Å; N482-G485 PolarHBondContact O-N 2.8Å; N482-G485 PolarHBondContact OD1-N 3.18Å; N482-D486 PolarHBondContact N-O 3.2Å; N482-D486 WeakPolarHBondContact ND2-CB 3.32Å; N482-D486 PolarHBondContact ND2-OD2 3.32Å; N482-D486 PolarHBondContact OD1-N 2.87Å; N482-T488 HydrophobicContact CB-CG2 4.16Å
483	D	94.2	Very high	95.7	Very high	140 Å²	140	47.3 Å²	47.3	75%	0.749	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-18.3	-179.5	-63.4	-20.7	0	0	0	113.8	N476 G485	N476-D483 PolarHBondContact ND2-OD1 3.17Å; D483-G485 VanDerWaalsContact C-N 3.29Å
484	N	92.4	Very high	95.8	Very high	135 Å²	135	44.9 Å²	44.9	72%	0.722	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.4	172.2	-59.9	-24.3	0	0	0	112.2	N482 D486	N482-N484 PolarHBondContact O-N 2.97Å; N482-N484 WeakPolarHBondContact OD1-CA 3.44Å; N482-N484 WeakPolarHBondContact OD1-CB 3.48Å; N482-N484 PolarHBondContact OD1-N 2.96Å; N484-D486 WeakPolarHBondContact CB-OD2 3.46Å
485	G	92.1	Very high	95.8	Very high	17 Å²	17	44.5 Å²	44.5	18%	0.175	24%	0.243	C	C	.	.	S	Bend	trans	83.6	15.4	-175.9	0	0	0	0	0	114.6	K447 N482 D483	K447-G485 WeakPolarHBondContact CE-O 3.22Å; K447-G485 PolarHBondContact NZ-O 2.98Å; N482-G485 PolarHBondContact O-N 2.8Å; N482-G485 PolarHBondContact OD1-N 3.18Å; D483-G485 VanDerWaalsContact C-N 3.29Å
486	D	95.1	Very high	95.6	Very high	69 Å²	69	45.6 Å²	45.6	37%	0.369	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-84.4	150.3	175	-45.4	-50.6	0	0	0	111.1	L481 N482 N484 T488	L481-D486 VanDerWaalsContact CA-O 3.25Å; L481-D486 WeakPolarHBondContact CA-O 3.38Å; N482-D486 PolarHBondContact N-O 3.2Å; N482-D486 WeakPolarHBondContact ND2-CB 3.32Å; N482-D486 PolarHBondContact ND2-OD2 3.32Å; N482-D486 PolarHBondContact OD1-N 2.87Å; N484-D486 WeakPolarHBondContact CB-OD2 3.46Å; D486-T488 PolarHBondContact O-N 3.2Å
487	L	96.6	Very high	95.4	Very high	50 Å²	50	44.3 Å²	44.3	26%	0.262	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-68	122.9	177.8	-169.2	68.2	0	0	0	111.2	L444 K447 K448 L481	L444-L487 HydrophobicContact CD1-CD1 3.65Å; K447-L487 HydrophobicContact CB-CB 4.45Å; K447-L487 HydrophobicContact CB-CD1 4.25Å; K448-L487 HydrophobicContact CB-CD2 4.08Å; K448-L487 HydrophobicContact CD-CD2 4.01Å; L481-L487 HydrophobicContact CD2-CB 4.49Å; L481-L487 HydrophobicContact CD2-CD1 4.14Å
488	T	97.6	Very high	95.1	Very high	35 Å²	35	43 Å²	43	22%	0.215	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-81	166.7	175	69.5	0	0	0	0	111.2	A479 A480 N482 D486 L490 G491 S492	A479-T488 PolarHBondContact O-OG1 3.01Å; A480-T488 PolarHBondContact O-N 3.44Å; A480-T488 PolarHBondContact O-OG1 3.1Å; A480-T488 VanDerWaalsContact O-OG1 3.1Å; N482-T488 HydrophobicContact CB-CG2 4.16Å; D486-T488 PolarHBondContact O-N 3.2Å; T488-L490 PolarHBondContact O-N 2.95Å; T488-L490 PolarHBondContact OG1-N 3.41Å; T488-G491 PolarHBondContact O-N 2.8Å; T488-G491 VanDerWaalsContact O-N 3.15Å; T488-G491 PolarHBondContact OG1-N 2.78Å; T488-S492 WeakPolarHBondContact O-CB 3.36Å; T488-S492 PolarHBondContact O-N 3.48Å
489	E	95.9	Very high	94.8	Very high	182 Å²	182	43.5 Å²	43.5	85%	0.85	24%	0.24	S	C	*	.	H	α-helix	trans	-58	-40.8	171.8	-66	-176.2	176.5	0	0	111.7	S492 M493	E489-S492 PolarHBondContact O-N 3.2Å; E489-M493 PolarHBondContact O-N 2.89Å
490	L	96.4	Very high	94.6	Very high	44 Å²	44	45.2 Å²	45.2	23%	0.23	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-46.5	174.1	176.5	64	0	0	0	111.2	A479 T488 S492 M493 M494 K505 I508	A479-L490 HydrophobicContact CB-CD2 4.25Å; T488-L490 PolarHBondContact O-N 2.95Å; T488-L490 PolarHBondContact OG1-N 3.41Å; L490-S492 VanDerWaalsContact C-N 3.34Å; L490-S492 PolarHBondContact O-N 3.15Å; L490-M493 PolarHBondContact O-N 3.31Å; L490-M494 HydrophobicContact CD1-CG 4.22Å; L490-M494 HydrophobicContact CD1-SD 4.24Å; L490-M494 HydrophobicContact CD2-SD 4.28Å; L490-M494 HydrophobicContact CG-CG 4.31Å; L490-M494 HydrophobicContact CG-SD 3.8Å; L490-M494 WeakPolarHBondContact O-CB 3.42Å; L490-M494 VanDerWaalsContact O-CG 3.23Å; L490-M494 WeakPolarHBondContact O-CG 3.18Å; L490-M494 PolarHBondContact O-N 3.45Å; L490-K505 HydrophobicContact CD2-CD 3.85Å; L490-I508 HydrophobicContact CD1-CB 4.29Å; L490-I508 HydrophobicContact CD1-CD1 3.99Å; L490-I508 HydrophobicContact CD1-CG2 3.73Å
491	G	96.4	Very high	94.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-42.6	177	0	0	0	0	0	112.5	A480 T488 M493 M494 A495	A480-G491 WeakPolarHBondContact O-CA 3.3Å; T488-G491 PolarHBondContact O-N 2.8Å; T488-G491 VanDerWaalsContact O-N 3.15Å; T488-G491 PolarHBondContact OG1-N 2.78Å; G491-M493 VanDerWaalsContact C-N 3.31Å; G491-M493 PolarHBondContact O-N 2.71Å; G491-M494 PolarHBondContact O-N 3.19Å; G491-A495 WeakPolarHBondContact O-CB 3.38Å; G491-A495 PolarHBondContact O-N 3.33Å
492	S	95.2	Very high	94.4	Very high	38 Å²	38	46.4 Å²	46.4	27%	0.266	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-41.5	175.2	-175.3	0	0	0	0	111.8	K448 T488 E489 L490 E496	K448-S492 PolarHBondContact NZ-OG 3.45Å; T488-S492 WeakPolarHBondContact O-CB 3.36Å; T488-S492 PolarHBondContact O-N 3.48Å; E489-S492 PolarHBondContact O-N 3.2Å; L490-S492 VanDerWaalsContact C-N 3.34Å; L490-S492 PolarHBondContact O-N 3.15Å; S492-E496 WeakPolarHBondContact O-CG 3.38Å
493	M	95.4	Very high	94.5	Very high	45 Å²	45	44.3 Å²	44.3	22%	0.222	24%	0.238	C	C	.	.	H	α-helix	trans	-69.2	-43.2	174.6	-169.8	-174.6	-61.8	0	0	112	E489 L490 G491 A495 E496 F497 I508 F603 L605	E489-M493 PolarHBondContact O-N 2.89Å; L490-M493 PolarHBondContact O-N 3.31Å; G491-M493 VanDerWaalsContact C-N 3.31Å; G491-M493 PolarHBondContact O-N 2.71Å; M493-A495 VanDerWaalsContact C-N 3.27Å; M493-A495 PolarHBondContact O-N 2.87Å; M493-E496 WeakPolarHBondContact O-CB 3.46Å; M493-E496 PolarHBondContact O-N 2.89Å; M493-F497 HydrophobicContact CG-CE2 4.27Å; M493-F497 VanDerWaalsContact O-CD2 3.32Å; M493-F497 WeakPolarHBondContact O-CD2 3.32Å; M493-I508 HydrophobicContact CB-CD1 4.2Å; M493-I508 HydrophobicContact CG-CD1 3.88Å; M493-I508 HydrophobicContact SD-CD1 3.89Å; M493-I508 HydrophobicContact SD-CG1 4.08Å; M493-I508 HydrophobicContact SD-CG2 4.04Å; M493-F603 HydrophobicContact CE-CB 4.39Å; M493-F603 HydrophobicContact CE-CD1 4.45Å; M493-F603 HydrophobicContact CG-CB 4.47Å; M493-F603 HydrophobicContact CG-CD1 4.17Å; M493-F603 HydrophobicContact CG-CD2 4.17Å; M493-F603 HydrophobicContact CG-CG 4Å; M493-F603 HydrophobicContact SD-CB 4.27Å; M493-F603 HydrophobicContact SD-CG 4.42Å; M493-L605 HydrophobicContact CE-CD2 4.49Å; M493-L605 HydrophobicContact SD-CD1 3.9Å; M493-L605 HydrophobicContact SD-CD2 3.94Å; M493-L605 HydrophobicContact SD-CG 4.24Å
494	M	96.7	Very high	94.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-58.1	-39.1	177.4	-74.4	169.3	55.8	0	0	112	L444 L478 A480 L490 G491 E496 F497 P501 A504 K505 I508	L444-M494 HydrophobicContact CD2-CB 4.08Å; L478-M494 HydrophobicContact CB-CE 4.28Å; L478-M494 HydrophobicContact CD1-CE 4.31Å; A480-M494 HydrophobicContact CB-CE 3.82Å; A480-M494 HydrophobicContact CB-SD 3.84Å; L490-M494 HydrophobicContact CD1-CG 4.22Å; L490-M494 HydrophobicContact CD1-SD 4.24Å; L490-M494 HydrophobicContact CD2-SD 4.28Å; L490-M494 HydrophobicContact CG-CG 4.31Å; L490-M494 HydrophobicContact CG-SD 3.8Å; L490-M494 WeakPolarHBondContact O-CB 3.42Å; L490-M494 VanDerWaalsContact O-CG 3.23Å; L490-M494 WeakPolarHBondContact O-CG 3.18Å; L490-M494 PolarHBondContact O-N 3.45Å; G491-M494 PolarHBondContact O-N 3.19Å; M494-E496 PolarHBondContact O-N 3.36Å; M494-F497 PolarHBondContact O-N 3.13Å; M494-P501 HydrophobicContact CE-CB 3.93Å; M494-P501 VanDerWaalsContact CE-O 3.27Å; M494-P501 WeakPolarHBondContact CE-O 3.38Å; M494-A504 HydrophobicContact CB-CB 4Å; M494-A504 HydrophobicContact CG-CB 4.12Å; M494-K505 HydrophobicContact CE-CB 4.01Å; M494-K505 HydrophobicContact SD-CB 4.16Å; M494-K505 HydrophobicContact SD-CD 4.36Å; M494-I508 HydrophobicContact CB-CD1 4.39Å; M494-I508 HydrophobicContact CG-CD1 3.59Å
495	A	94.4	Very high	94.9	Very high	6 Å²	6	33.1 Å²	33.1	5%	0.05	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-28.8	-178.5	0	0	0	0	0	113	M178 L444 K448 G491 M493 F497	M178-A495 HydrophobicContact CE-CB 3.74Å; M178-A495 WeakPolarHBondContact CE-O 3.26Å; L444-A495 HydrophobicContact CD1-CB 4.34Å; L444-A495 HydrophobicContact CD2-CB 4.22Å; L444-A495 HydrophobicContact CG-CB 3.88Å; K448-A495 HydrophobicContact CB-CB 3.96Å; K448-A495 HydrophobicContact CD-CB 4.44Å; K448-A495 HydrophobicContact CG-CB 3.94Å; G491-A495 WeakPolarHBondContact O-CB 3.38Å; G491-A495 PolarHBondContact O-N 3.33Å; M493-A495 VanDerWaalsContact C-N 3.27Å; M493-A495 PolarHBondContact O-N 2.87Å; A495-F497 VanDerWaalsContact C-N 3.31Å
496	E	91.9	Very high	95.1	Very high	22 Å²	22	32.3 Å²	32.3	10%	0.103	17%	0.168	C	C	.	.	H	α-helix	trans	-75.7	-22.2	-178.6	-61.6	-75.1	169.2	0	0	112.3	K448 S492 M493 M494 F603	K448-E496 WeakPolarHBondContact CE-OE1 3.5Å; K448-E496 IonicContact NZ-OE1 2.77Å; K448-E496 PolarHBondContact NZ-OE1 3.44Å; S492-E496 WeakPolarHBondContact O-CG 3.38Å; M493-E496 WeakPolarHBondContact O-CB 3.46Å; M493-E496 PolarHBondContact O-N 2.89Å; M494-E496 PolarHBondContact O-N 3.36Å; E496-F603 HydrophobicContact CB-CE2 3.69Å; E496-F603 HydrophobicContact CB-CZ 3.84Å; E496-F603 HydrophobicContact CG-CE2 4.04Å; E496-F603 HydrophobicContact CG-CZ 3.62Å
497	F	92.4	Very high	95.2	Very high	5 Å²	5	29 Å²	29	2%	0.022	15%	0.15	C	C	.	.	S	Bend	trans	-75.5	127.5	172.8	-72.3	-91.8	0	0	0	109.6	M493 M494 A495 L499 A504 V507 I508 L596 I599 M600 L605	M493-F497 HydrophobicContact CG-CE2 4.27Å; M493-F497 VanDerWaalsContact O-CD2 3.32Å; M493-F497 WeakPolarHBondContact O-CD2 3.32Å; M494-F497 PolarHBondContact O-N 3.13Å; A495-F497 VanDerWaalsContact C-N 3.31Å; F497-L499 HydrophobicContact CB-CB 4.31Å; F497-L499 HydrophobicContact CB-CD1 4.19Å; F497-L499 HydrophobicContact CB-CG 4.29Å; F497-L499 HydrophobicContact CD1-CD1 4.32Å; F497-L499 PolarHBondContact O-N 3.36Å; F497-A504 HydrophobicContact CB-CB 4.05Å; F497-V507 HydrophobicContact CE1-CG1 4.12Å; F497-V507 HydrophobicContact CZ-CG1 4.45Å; F497-I508 HydrophobicContact CD2-CD1 4.28Å; F497-I508 HydrophobicContact CE2-CD1 3.99Å; F497-I508 HydrophobicContact CE2-CG1 3.95Å; F497-I508 HydrophobicContact CZ-CG1 4.44Å; F497-L596 HydrophobicContact CD1-CD2 3.96Å; F497-I599 HydrophobicContact CD1-CB 4.4Å; F497-I599 HydrophobicContact CD1-CD1 4.47Å; F497-I599 HydrophobicContact CD1-CG2 3.96Å; F497-I599 HydrophobicContact CD2-CG2 4.24Å; F497-I599 HydrophobicContact CE1-CB 3.98Å; F497-I599 HydrophobicContact CE1-CG2 3.63Å; F497-I599 HydrophobicContact CE2-CG2 3.92Å; F497-I599 HydrophobicContact CG-CG2 4.26Å; F497-I599 HydrophobicContact CZ-CB 4.34Å; F497-I599 HydrophobicContact CZ-CG2 3.61Å; F497-M600 HydrophobicContact CE1-CG 4.16Å; F497-M600 HydrophobicContact CZ-CG 4.17Å; F497-L605 HydrophobicContact CE2-CD1 4.44Å; F497-L605 HydrophobicContact CZ-CD1 4.04Å
498	P	90.1	Very high	95.2	Very high	11 Å²	11	27.6 Å²	27.6	7%	0.071	14%	0.143	C	C	.	.	S	Bend	trans	-76.1	66.9	172.2	35.1	-38	0	0	0	108.5	R154 F155 R175 L596 I599	R154-P498 HydrophobicContact CG-CB 4.33Å; R154-P498 PolarHBondContact NE-O 3.25Å; R154-P498 VanDerWaalsContact NE-O 3.09Å; R154-P498 PolarHBondContact NH2-O 3.35Å; F155-P498 HydrophobicContact CD1-CG 4.34Å; F155-P498 HydrophobicContact CE1-CB 4.26Å; F155-P498 HydrophobicContact CE1-CG 3.47Å; F155-P498 VanDerWaalsContact CE1-CG 3.47Å; F155-P498 HydrophobicContact CZ-CB 4.38Å; F155-P498 HydrophobicContact CZ-CG 3.96Å; R175-P498 VanDerWaalsContact CZ-CB 3.43Å; R175-P498 VanDerWaalsContact NH2-CB 3.29Å; P498-L596 HydrophobicContact CG-CD2 4.3Å; P498-I599 HydrophobicContact CG-CD1 4.36Å
499	L	91.5	Very high	95.2	Very high	10 Å²	10	26.2 Å²	26.2	5%	0.052	14%	0.135	C	C	.	.	S	Bend	trans	-144.6	164.5	-175.2	-67.1	176.5	0	0	0	110	F497 L503 A504 V507 T523 S527 L596	F497-L499 HydrophobicContact CB-CB 4.31Å; F497-L499 HydrophobicContact CB-CD1 4.19Å; F497-L499 HydrophobicContact CB-CG 4.29Å; F497-L499 HydrophobicContact CD1-CD1 4.32Å; F497-L499 PolarHBondContact O-N 3.36Å; L499-L503 HydrophobicContact CB-CB 4.1Å; L499-L503 HydrophobicContact CD1-CB 4.25Å; L499-L503 HydrophobicContact CD2-CD1 4.42Å; L499-A504 HydrophobicContact CB-CB 4.38Å; L499-V507 HydrophobicContact CD1-CG2 4.32Å; L499-T523 HydrophobicContact CD1-CG2 3.58Å; L499-T523 HydrophobicContact CD2-CG2 3.94Å; L499-T523 HydrophobicContact CG-CG2 4.44Å; L499-S527 WeakPolarHBondContact CD2-OG 2.92Å; L499-L596 HydrophobicContact CD1-CD1 4.17Å; L499-L596 HydrophobicContact CD1-CD2 3.88Å; L499-L596 HydrophobicContact CD2-CD1 4.38Å; L499-L596 HydrophobicContact CD2-CD2 4.36Å; L499-L596 HydrophobicContact CG-CD2 4.04Å
500	D	91.8	Very high	95.2	Very high	79 Å²	79	17.6 Å²	17.6	42%	0.422	10%	0.095	S	C	.	.			trans	-67.2	148.8	167.5	-65.5	-19.2	0	0	0	109.7	Q502 L503 A504	D500-Q502 PolarHBondContact O-N 3.41Å; D500-Q502 VanDerWaalsContact O-N 3.14Å; D500-L503 PolarHBondContact O-N 2.85Å; D500-A504 PolarHBondContact O-N 2.94Å
501	P	95.8	Very high	95.2	Very high	4 Å²	4	16.4 Å²	16.4	3%	0.026	9%	0.09	C	C	.	.	H	α-helix	trans	-53.3	-38.3	-176.5	-29	36.1	0	0	0	113.8	L444 L475 L478 M494 L503 A504 K505	L444-P501 HydrophobicContact CD2-CB 4.49Å; L444-P501 HydrophobicContact CD2-CG 4.25Å; L475-P501 HydrophobicContact CD2-CB 3.77Å; L475-P501 HydrophobicContact CD2-CG 3.86Å; L478-P501 HydrophobicContact CD1-CB 3.58Å; M494-P501 HydrophobicContact CE-CB 3.93Å; M494-P501 VanDerWaalsContact CE-O 3.27Å; M494-P501 WeakPolarHBondContact CE-O 3.38Å; P501-L503 PolarHBondContact O-N 3.15Å; P501-A504 PolarHBondContact O-N 3.11Å; P501-K505 WeakPolarHBondContact O-CB 3.35Å; P501-K505 PolarHBondContact O-N 3.33Å
502	Q	95.8	Very high	95.1	Very high	25 Å²	25	24 Å²	24	12%	0.117	13%	0.125	C	C	.	.	H	α-helix	trans	-59.6	-45.5	176.1	-63.1	98.8	-54.7	0	0	112.3	L474 L478 D500 M506 G628 F629	L474-Q502 HydrophobicContact CD1-CG 4.49Å; L478-Q502 HydrophobicContact CD1-CG 4.43Å; D500-Q502 PolarHBondContact O-N 3.41Å; D500-Q502 VanDerWaalsContact O-N 3.14Å; Q502-M506 WeakPolarHBondContact O-CB 3.43Å; Q502-M506 PolarHBondContact O-N 3.46Å; Q502-G628 VanDerWaalsContact CB-O 3.32Å; Q502-G628 WeakPolarHBondContact CB-O 3.5Å; Q502-G628 WeakPolarHBondContact CG-O 3.38Å; Q502-G628 WeakPolarHBondContact O-CA 3.42Å; Q502-F629 HydrophobicContact CB-CD1 4.49Å; Q502-F629 HydrophobicContact CB-CE1 4.31Å
503	L	96.5	Very high	95	Very high	13 Å²	13	23.9 Å²	23.9	7%	0.068	12%	0.12	C	C	.	.	H	α-helix	trans	-69.8	-40.9	179.1	-72.2	175	0	0	0	111.5	L499 D500 P501 M506 V507 T523 L526 F629	L499-L503 HydrophobicContact CB-CB 4.1Å; L499-L503 HydrophobicContact CD1-CB 4.25Å; L499-L503 HydrophobicContact CD2-CD1 4.42Å; D500-L503 PolarHBondContact O-N 2.85Å; P501-L503 PolarHBondContact O-N 3.15Å; L503-M506 HydrophobicContact CD2-CE 3.56Å; L503-M506 WeakPolarHBondContact O-CB 3.42Å; L503-M506 PolarHBondContact O-N 2.92Å; L503-V507 WeakPolarHBondContact O-CG2 3.45Å; L503-V507 PolarHBondContact O-N 3.19Å; L503-T523 HydrophobicContact CB-CG2 4.29Å; L503-T523 HydrophobicContact CD2-CG2 4.32Å; L503-L526 HydrophobicContact CD2-CD1 3.91Å; L503-F629 HydrophobicContact CD2-CE2 3.68Å; L503-F629 HydrophobicContact CD2-CZ 3.54Å; L503-F629 HydrophobicContact CG-CZ 4.08Å
504	A	96.9	Very high	95	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-61.5	-46.4	176.5	0	0	0	0	0	111.3	M494 F497 L499 D500 P501 M506 V507 I508	M494-A504 HydrophobicContact CB-CB 4Å; M494-A504 HydrophobicContact CG-CB 4.12Å; F497-A504 HydrophobicContact CB-CB 4.05Å; L499-A504 HydrophobicContact CB-CB 4.38Å; D500-A504 PolarHBondContact O-N 2.94Å; P501-A504 PolarHBondContact O-N 3.11Å; A504-M506 VanDerWaalsContact C-N 3.33Å; A504-M506 PolarHBondContact O-N 3.34Å; A504-V507 PolarHBondContact O-N 2.82Å; A504-I508 WeakPolarHBondContact O-CG1 3.36Å; A504-I508 PolarHBondContact O-N 2.62Å; A504-I508 VanDerWaalsContact O-N 3.1Å
505	K	97.5	Very high	94.9	Very high	39 Å²	39	25.8 Å²	25.8	17%	0.17	13%	0.131	C	C	.	.	H	α-helix	trans	-57.1	-46.9	174	175.2	65.7	175.6	-148.4	0	111.4	L478 L490 M494 P501 V507 I508 A509 T627	L478-K505 HydrophobicContact CD2-CB 4.01Å; L478-K505 HydrophobicContact CD2-CG 3.96Å; L478-K505 WeakPolarHBondContact O-CD 3.28Å; L478-K505 WeakPolarHBondContact O-CE 3.36Å; L478-K505 PolarHBondContact O-NZ 3.32Å; L490-K505 HydrophobicContact CD2-CD 3.85Å; M494-K505 HydrophobicContact CE-CB 4.01Å; M494-K505 HydrophobicContact SD-CB 4.16Å; M494-K505 HydrophobicContact SD-CD 4.36Å; P501-K505 WeakPolarHBondContact O-CB 3.35Å; P501-K505 PolarHBondContact O-N 3.33Å; K505-V507 PolarHBondContact O-N 3.34Å; K505-I508 PolarHBondContact O-N 2.93Å; K505-A509 VanDerWaalsContact O-CB 3.27Å; K505-A509 WeakPolarHBondContact O-CB 3.29Å; K505-A509 PolarHBondContact O-N 3.47Å; K505-T627 WeakPolarHBondContact CG-O 3.34Å
506	M	97.5	Very high	95.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.1	-45.3	-180	-176.8	-179.3	72.5	0	0	112.3	Q502 L503 A504 S510 I519 T523 L625 F629	Q502-M506 WeakPolarHBondContact O-CB 3.43Å; Q502-M506 PolarHBondContact O-N 3.46Å; L503-M506 HydrophobicContact CD2-CE 3.56Å; L503-M506 WeakPolarHBondContact O-CB 3.42Å; L503-M506 PolarHBondContact O-N 2.92Å; A504-M506 VanDerWaalsContact C-N 3.33Å; A504-M506 PolarHBondContact O-N 3.34Å; M506-S510 VanDerWaalsContact O-CB 3.27Å; M506-S510 WeakPolarHBondContact O-CB 3.47Å; M506-S510 PolarHBondContact O-N 2.88Å; M506-I519 HydrophobicContact CE-CG2 4.07Å; M506-I519 HydrophobicContact CG-CD1 4.43Å; M506-I519 HydrophobicContact CG-CG2 3.83Å; M506-I519 HydrophobicContact SD-CD1 4.47Å; M506-I519 HydrophobicContact SD-CG2 4.46Å; M506-T523 WeakPolarHBondContact CE-OG1 3.43Å; M506-L625 HydrophobicContact SD-CD2 3.56Å; M506-L625 VanDerWaalsContact SD-CD2 3.56Å; M506-F629 HydrophobicContact CE-CE2 4.15Å; M506-F629 HydrophobicContact SD-CD2 3.89Å; M506-F629 HydrophobicContact SD-CE2 3.71Å
507	V	97.4	Very high	95.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-46.7	177.3	171	0	0	0	0	111	F497 L499 L503 A504 K505 S510 I519 L520 T523 M600	F497-V507 HydrophobicContact CE1-CG1 4.12Å; F497-V507 HydrophobicContact CZ-CG1 4.45Å; L499-V507 HydrophobicContact CD1-CG2 4.32Å; L503-V507 WeakPolarHBondContact O-CG2 3.45Å; L503-V507 PolarHBondContact O-N 3.19Å; A504-V507 PolarHBondContact O-N 2.82Å; K505-V507 PolarHBondContact O-N 3.34Å; V507-S510 PolarHBondContact O-OG 3.22Å; V507-I519 HydrophobicContact CG2-CG2 4.36Å; V507-L520 HydrophobicContact CG1-CD1 4.3Å; V507-T523 HydrophobicContact CG2-CG2 3.77Å; V507-T523 VanDerWaalsContact CG2-OG1 3.28Å; V507-T523 WeakPolarHBondContact CG2-OG1 3.27Å; V507-M600 HydrophobicContact CG1-CE 4.43Å; V507-M600 HydrophobicContact CG1-CG 4.24Å; V507-M600 HydrophobicContact CG1-SD 3.93Å
508	I	97.1	Very high	95.5	Very high	19 Å²	19	26.3 Å²	26.3	10%	0.097	13%	0.134	C	C	.	.	H	α-helix	trans	-66.3	-50.1	-178.2	-62.9	165.1	0	0	0	110.5	L490 M493 M494 F497 A504 K505 S510 C511 L605	L490-I508 HydrophobicContact CD1-CB 4.29Å; L490-I508 HydrophobicContact CD1-CD1 3.99Å; L490-I508 HydrophobicContact CD1-CG2 3.73Å; M493-I508 HydrophobicContact CB-CD1 4.2Å; M493-I508 HydrophobicContact CG-CD1 3.88Å; M493-I508 HydrophobicContact SD-CD1 3.89Å; M493-I508 HydrophobicContact SD-CG1 4.08Å; M493-I508 HydrophobicContact SD-CG2 4.04Å; M494-I508 HydrophobicContact CB-CD1 4.39Å; M494-I508 HydrophobicContact CG-CD1 3.59Å; F497-I508 HydrophobicContact CD2-CD1 4.28Å; F497-I508 HydrophobicContact CE2-CD1 3.99Å; F497-I508 HydrophobicContact CE2-CG1 3.95Å; F497-I508 HydrophobicContact CZ-CG1 4.44Å; A504-I508 WeakPolarHBondContact O-CG1 3.36Å; A504-I508 PolarHBondContact O-N 2.62Å; A504-I508 VanDerWaalsContact O-N 3.1Å; K505-I508 PolarHBondContact O-N 2.93Å; I508-S510 VanDerWaalsContact C-N 3.27Å; I508-S510 PolarHBondContact O-N 3.2Å; I508-C511 WeakPolarHBondContact O-CB 3.41Å; I508-C511 PolarHBondContact O-N 3.1Å; I508-C511 PolarHBondContact O-SG 3.24Å; I508-L605 HydrophobicContact CG1-CD1 4.04Å; I508-L605 HydrophobicContact CG2-CD2 4.43Å
509	A	96.5	Very high	95.9	Very high	7 Å²	7	25.8 Å²	25.8	6%	0.058	13%	0.131	C	C	.	.	H	α-helix	trans	-66.2	-26.4	-178.1	0	0	0	0	0	113.2	K505 C511 E512 F513 T627	K505-A509 VanDerWaalsContact O-CB 3.27Å; K505-A509 WeakPolarHBondContact O-CB 3.29Å; K505-A509 PolarHBondContact O-N 3.47Å; A509-C511 PolarHBondContact O-N 3.38Å; A509-E512 WeakPolarHBondContact O-CB 3.47Å; A509-E512 PolarHBondContact O-N 3.36Å; A509-F513 WeakPolarHBondContact O-CD2 3.27Å; A509-T627 HydrophobicContact CB-CG2 3.93Å
510	S	96.6	Very high	96.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-19	177.9	71.1	0	0	0	0	114.7	M506 V507 I508 E512 F513 N514 C515 S516	M506-S510 VanDerWaalsContact O-CB 3.27Å; M506-S510 WeakPolarHBondContact O-CB 3.47Å; M506-S510 PolarHBondContact O-N 2.88Å; V507-S510 PolarHBondContact O-OG 3.22Å; I508-S510 VanDerWaalsContact C-N 3.27Å; I508-S510 PolarHBondContact O-N 3.2Å; S510-E512 PolarHBondContact O-N 3.23Å; S510-F513 PolarHBondContact O-N 3.19Å; S510-N514 PolarHBondContact O-N 2.75Å; S510-C515 PolarHBondContact O-N 3.49Å; S510-S516 VanDerWaalsContact OG-CA 3.25Å; S510-S516 WeakPolarHBondContact OG-CA 3.3Å; S510-S516 VanDerWaalsContact OG-CB 3.26Å; S510-S516 WeakPolarHBondContact OG-CB 3.36Å
511	C	95.3	Very high	96.5	Very high	19 Å²	19	21.6 Å²	21.6	13%	0.128	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-32.5	173.8	-57.8	0	0	0	0	111.9	I508 A509 F513 P606	I508-C511 WeakPolarHBondContact O-CB 3.41Å; I508-C511 PolarHBondContact O-N 3.1Å; I508-C511 PolarHBondContact O-SG 3.24Å; A509-C511 PolarHBondContact O-N 3.38Å; C511-F513 VanDerWaalsContact C-N 3.33Å; C511-P606 HydrophobicContact CB-CG 4.05Å
512	E	94.1	Very high	96.6	Very high	159 Å²	159	21.4 Å²	21.4	74%	0.743	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-26.6	178.9	-60.5	174.8	-172.4	0	0	112.3	A509 S510	A509-E512 WeakPolarHBondContact O-CB 3.47Å; A509-E512 PolarHBondContact O-N 3.36Å; S510-E512 PolarHBondContact O-N 3.23Å
513	F	94.1	Very high	96.7	Very high	36 Å²	36	20.2 Å²	20.2	16%	0.158	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	4	-179.4	-63.8	-87	0	0	0	113.2	A509 S510 C511 C515 N620 Q623 A624 T627 I693	A509-F513 WeakPolarHBondContact O-CD2 3.27Å; S510-F513 PolarHBondContact O-N 3.19Å; C511-F513 VanDerWaalsContact C-N 3.33Å; F513-C515 PolarHBondContact O-N 3.44Å; F513-N620 HydrophobicContact CB-CB 4.31Å; F513-N620 WeakPolarHBondContact O-CB 3.49Å; F513-N620 PolarHBondContact O-ND2 3.48Å; F513-N620 VanDerWaalsContact O-ND2 3.15Å; F513-Q623 HydrophobicContact CD1-CB 3.77Å; F513-Q623 HydrophobicContact CE1-CB 3.62Å; F513-Q623 HydrophobicContact CZ-CB 4.45Å; F513-A624 HydrophobicContact CB-CB 4.25Å; F513-A624 HydrophobicContact CD2-CB 4.06Å; F513-A624 HydrophobicContact CG-CB 4.2Å; F513-T627 HydrophobicContact CD2-CG2 4.38Å; F513-T627 HydrophobicContact CE2-CG2 3.48Å; F513-T627 VanDerWaalsContact CE2-CG2 3.48Å; F513-T627 HydrophobicContact CZ-CG2 3.95Å; F513-I693 HydrophobicContact CE1-CD1 4.41Å; F513-I693 HydrophobicContact CZ-CD1 4.17Å
514	N	94.3	Very high	96.6	Very high	84 Å²	84	19.6 Å²	19.6	45%	0.449	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	31.1	-177.6	-64.9	-55.5	0	0	0	114.6	S510 N608 S609 G610	S510-N514 PolarHBondContact O-N 2.75Å; N514-N608 HydrophobicContact CB-CB 4.46Å; N514-N608 PolarHBondContact OD1-ND2 3.31Å; N514-S609 CarbonylContact O-C 3.45Å; N514-S609 WeakPolarHBondContact O-CA 3.44Å; N514-G610 PolarHBondContact O-N 3.19Å
515	C	96.4	Very high	96.6	Very high	2 Å²	2	20 Å²	20	1%	0.014	10%	0.1	C	C	.	.			trans	-133.9	29.9	-178.9	67.1	0	0	0	0	112.6	S510 F513 N517 E518 I519 N620 I621	S510-C515 PolarHBondContact O-N 3.49Å; F513-C515 PolarHBondContact O-N 3.44Å; C515-N517 VanDerWaalsContact C-N 3.29Å; C515-N517 PolarHBondContact O-N 3.09Å; C515-E518 WeakPolarHBondContact CA-OE2 3.33Å; C515-E518 PolarHBondContact O-N 3.2Å; C515-I519 WeakPolarHBondContact O-CG1 3.41Å; C515-I519 PolarHBondContact O-N 3.03Å; C515-N620 HydrophobicContact CB-CB 4.39Å; C515-I621 HydrophobicContact CB-CG1 3.76Å
516	S	96.7	Very high	96.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.5	-27	-174.7	58	0	0	0	0	113	S510 L520 P606 R607 N608	S510-S516 VanDerWaalsContact OG-CA 3.25Å; S510-S516 WeakPolarHBondContact OG-CA 3.3Å; S510-S516 VanDerWaalsContact OG-CB 3.26Å; S510-S516 WeakPolarHBondContact OG-CB 3.36Å; S516-L520 WeakPolarHBondContact O-CB 3.42Å; S516-L520 PolarHBondContact O-N 3.28Å; S516-P606 PolarHBondContact OG-O 2.85Å; S516-R607 WeakPolarHBondContact OG-CA 3.23Å; S516-N608 PolarHBondContact N-O 3.4Å; S516-N608 PolarHBondContact OG-N 3.09Å
517	N	96.8	Very high	96.1	Very high	38 Å²	38	21.2 Å²	21.2	20%	0.203	11%	0.111	C	C	.	.	H	α-helix	trans	-65.3	-41.8	173	-85.3	-49.6	0	0	0	113.1	C515 S521 R593 R607 N608	C515-N517 VanDerWaalsContact C-N 3.29Å; C515-N517 PolarHBondContact O-N 3.09Å; N517-S521 PolarHBondContact O-N 3.45Å; N517-S521 PolarHBondContact O-OG 3.45Å; N517-S521 VanDerWaalsContact O-OG 3.12Å; N517-R593 PolarHBondContact O-NH2 3.17Å; N517-R607 VanDerWaalsContact ND2-C 3.3Å; N517-R607 PolarHBondContact ND2-O 2.83Å; N517-R607 VanDerWaalsContact ND2-O 3.08Å; N517-N608 WeakPolarHBondContact CB-O 3.45Å; N517-N608 PolarHBondContact N-O 2.92Å; N517-N608 PolarHBondContact ND2-O 2.98Å
518	E	97.6	Very high	95.7	Very high	7 Å²	7	22.1 Å²	22.1	3%	0.033	12%	0.116	C	C	.	.	H	α-helix	trans	-71.9	-45.8	179.2	-69.8	71.8	-156.1	0	0	111.2	C515 L520 S521 I522 L560 S609 Y617 I621	C515-E518 WeakPolarHBondContact CA-OE2 3.33Å; C515-E518 PolarHBondContact O-N 3.2Å; E518-L520 VanDerWaalsContact C-N 3.26Å; E518-L520 PolarHBondContact O-N 3.49Å; E518-S521 WeakPolarHBondContact O-CB 3.32Å; E518-S521 PolarHBondContact O-N 3.16Å; E518-S521 VanDerWaalsContact O-N 3.08Å; E518-I522 WeakPolarHBondContact O-CG1 3.5Å; E518-I522 PolarHBondContact O-N 3.17Å; E518-L560 HydrophobicContact CB-CD1 4.1Å; E518-L560 HydrophobicContact CB-CD2 3.9Å; E518-L560 HydrophobicContact CG-CD1 4.27Å; E518-L560 HydrophobicContact CG-CD2 3.82Å; E518-S609 WeakPolarHBondContact OE1-CB 3.46Å; E518-S609 PolarHBondContact OE1-OG 2.86Å; E518-Y617 VanDerWaalsContact CD-OH 3.23Å; E518-Y617 HydrophobicContact CG-CE2 4.29Å; E518-Y617 WeakPolarHBondContact CG-OH 3.27Å; E518-Y617 PolarHBondContact OE1-OH 3.31Å; E518-I621 HydrophobicContact CB-CD1 3.89Å; E518-I621 HydrophobicContact CB-CG1 4.05Å; E518-I621 HydrophobicContact CG-CD1 3.81Å; E518-I621 HydrophobicContact CG-CG1 4.35Å
519	I	98.1	Very high	95.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.7	-35.7	177.8	-69.9	-68.3	0	0	0	111.1	M506 V507 C515 S521 I522 T523 I621 A624 L625	M506-I519 HydrophobicContact CE-CG2 4.07Å; M506-I519 HydrophobicContact CG-CD1 4.43Å; M506-I519 HydrophobicContact CG-CG2 3.83Å; M506-I519 HydrophobicContact SD-CD1 4.47Å; M506-I519 HydrophobicContact SD-CG2 4.46Å; V507-I519 HydrophobicContact CG2-CG2 4.36Å; C515-I519 WeakPolarHBondContact O-CG1 3.41Å; C515-I519 PolarHBondContact O-N 3.03Å; I519-S521 VanDerWaalsContact C-N 3.34Å; I519-S521 PolarHBondContact O-N 2.88Å; I519-I522 HydrophobicContact CD1-CD1 4.33Å; I519-I522 PolarHBondContact O-N 3.34Å; I519-T523 VanDerWaalsContact O-CB 3.29Å; I519-T523 WeakPolarHBondContact O-CB 3.41Å; I519-T523 PolarHBondContact O-N 3.35Å; I519-T523 PolarHBondContact O-OG1 3.44Å; I519-I621 HydrophobicContact CD1-CG2 3.74Å; I519-I621 HydrophobicContact CG1-CG2 4.35Å; I519-A624 HydrophobicContact CD1-CB 3.78Å; I519-A624 HydrophobicContact CG1-CB 3.82Å; I519-L625 HydrophobicContact CD1-CD2 3.96Å; I519-L625 HydrophobicContact CD1-CG 4.39Å
520	L	97.5	Very high	94.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-42.1	173.4	-167.5	65.2	0	0	0	111.9	V507 S516 E518 A524 R593 L596 M600	V507-L520 HydrophobicContact CG1-CD1 4.3Å; S516-L520 WeakPolarHBondContact O-CB 3.42Å; S516-L520 PolarHBondContact O-N 3.28Å; E518-L520 VanDerWaalsContact C-N 3.26Å; E518-L520 PolarHBondContact O-N 3.49Å; L520-A524 WeakPolarHBondContact O-CB 3.18Å; L520-A524 PolarHBondContact O-N 2.9Å; L520-R593 HydrophobicContact CD2-CG 3.97Å; L520-R593 HydrophobicContact CG-CG 3.82Å; L520-L596 HydrophobicContact CD1-CB 3.46Å; L520-L596 VanDerWaalsContact CD1-CB 3.46Å; L520-L596 HydrophobicContact CD1-CD1 4.11Å; L520-L596 HydrophobicContact CD1-CG 4.45Å; L520-M600 HydrophobicContact CD1-SD 3.68Å; L520-M600 HydrophobicContact CD2-SD 3.93Å; L520-M600 HydrophobicContact CG-SD 4.29Å
521	S	97.8	Very high	94.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.007	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-44.7	175.3	-57.4	0	0	0	0	111.8	N517 E518 I519 A524 M525 R593	N517-S521 PolarHBondContact O-N 3.45Å; N517-S521 PolarHBondContact O-OG 3.45Å; N517-S521 VanDerWaalsContact O-OG 3.12Å; E518-S521 WeakPolarHBondContact O-CB 3.32Å; E518-S521 PolarHBondContact O-N 3.16Å; E518-S521 VanDerWaalsContact O-N 3.08Å; I519-S521 VanDerWaalsContact C-N 3.34Å; I519-S521 PolarHBondContact O-N 2.88Å; S521-A524 PolarHBondContact O-N 3.39Å; S521-M525 VanDerWaalsContact O-CG 3.31Å; S521-M525 WeakPolarHBondContact O-CG 3.36Å; S521-M525 PolarHBondContact O-N 3.1Å; S521-R593 PolarHBondContact OG-NE 3.3Å
522	I	97.9	Very high	94.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-47.3	176.4	-68.4	165.5	0	0	0	110.3	E518 I519 A524 M525 L526 H556 M557 L560 I621 L625	E518-I522 WeakPolarHBondContact O-CG1 3.5Å; E518-I522 PolarHBondContact O-N 3.17Å; I519-I522 HydrophobicContact CD1-CD1 4.33Å; I519-I522 PolarHBondContact O-N 3.34Å; I522-A524 VanDerWaalsContact C-N 3.28Å; I522-A524 PolarHBondContact O-N 3.13Å; I522-M525 PolarHBondContact O-N 2.92Å; I522-M525 VanDerWaalsContact O-N 3.12Å; I522-L526 HydrophobicContact CG2-CD1 3.9Å; I522-L526 HydrophobicContact CG2-CG 4.26Å; I522-L526 WeakPolarHBondContact O-CG 3.42Å; I522-L526 PolarHBondContact O-N 3.1Å; I522-H556 HydrophobicContact CG2-CB 4.42Å; I522-M557 HydrophobicContact CD1-CE 3.5Å; I522-M557 VanDerWaalsContact CD1-CE 3.5Å; I522-L560 HydrophobicContact CD1-CB 4.34Å; I522-L560 HydrophobicContact CD1-CD2 4.48Å; I522-L560 HydrophobicContact CG1-CB 4Å; I522-L560 HydrophobicContact CG1-CD1 4.36Å; I522-I621 HydrophobicContact CD1-CG2 3.61Å; I522-L625 HydrophobicContact CG2-CD2 4.33Å
523	T	97.3	Very high	93.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.6	-41.6	178.3	-58.7	0	0	0	0	111.5	L499 L503 M506 V507 I519 L526 S527 L596	L499-T523 HydrophobicContact CD1-CG2 3.58Å; L499-T523 HydrophobicContact CD2-CG2 3.94Å; L499-T523 HydrophobicContact CG-CG2 4.44Å; L503-T523 HydrophobicContact CB-CG2 4.29Å; L503-T523 HydrophobicContact CD2-CG2 4.32Å; M506-T523 WeakPolarHBondContact CE-OG1 3.43Å; V507-T523 HydrophobicContact CG2-CG2 3.77Å; V507-T523 VanDerWaalsContact CG2-OG1 3.28Å; V507-T523 WeakPolarHBondContact CG2-OG1 3.27Å; I519-T523 VanDerWaalsContact O-CB 3.29Å; I519-T523 WeakPolarHBondContact O-CB 3.41Å; I519-T523 PolarHBondContact O-N 3.35Å; I519-T523 PolarHBondContact O-OG1 3.44Å; T523-L526 PolarHBondContact O-N 3.44Å; T523-S527 WeakPolarHBondContact O-CB 3.42Å; T523-S527 PolarHBondContact O-N 2.91Å; T523-S527 PolarHBondContact O-OG 2.75Å; T523-L596 HydrophobicContact CG2-CD1 4Å
524	A	96	Very high	93.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-42.1	176.3	0	0	0	0	0	112.3	L520 S521 I522 L526 S527 A589 V592 R593	L520-A524 WeakPolarHBondContact O-CB 3.18Å; L520-A524 PolarHBondContact O-N 2.9Å; S521-A524 PolarHBondContact O-N 3.39Å; I522-A524 VanDerWaalsContact C-N 3.28Å; I522-A524 PolarHBondContact O-N 3.13Å; A524-L526 VanDerWaalsContact C-N 3.34Å; A524-L526 PolarHBondContact O-N 3.41Å; A524-S527 PolarHBondContact O-N 3.41Å; A524-A589 HydrophobicContact CB-CB 4.35Å; A524-A589 WeakPolarHBondContact CB-O 3.03Å; A524-V592 HydrophobicContact CB-CB 4.25Å; A524-V592 HydrophobicContact CB-CG1 4.05Å; A524-R593 HydrophobicContact CB-CB 3.74Å; A524-R593 HydrophobicContact CB-CG 4.37Å
525	M	96.4	Very high	93.1	Very high	9 Å²	9	26.8 Å²	26.8	4%	0.044	14%	0.139	C	C	.	.	H	α-helix	trans	-65.7	-34	175.9	-70.3	-65.7	-71.5	0	0	113	S521 I522 S527 V528 C531 L559 V562 Y563 L586 A589	S521-M525 VanDerWaalsContact O-CG 3.31Å; S521-M525 WeakPolarHBondContact O-CG 3.36Å; S521-M525 PolarHBondContact O-N 3.1Å; I522-M525 PolarHBondContact O-N 2.92Å; I522-M525 VanDerWaalsContact O-N 3.12Å; M525-S527 VanDerWaalsContact C-N 3.33Å; M525-V528 VanDerWaalsContact O-CG2 3.28Å; M525-V528 WeakPolarHBondContact O-CG2 3.46Å; M525-C531 HydrophobicContact CE-CB 3.78Å; M525-L559 HydrophobicContact CB-CB 4.14Å; M525-L559 HydrophobicContact CB-CD1 4.43Å; M525-L559 HydrophobicContact CE-CD2 4.12Å; M525-L559 HydrophobicContact CG-CB 4.49Å; M525-V562 HydrophobicContact CE-CG1 4.27Å; M525-Y563 HydrophobicContact CG-CD2 4.27Å; M525-Y563 HydrophobicContact CG-CG 4.45Å; M525-Y563 HydrophobicContact SD-CD2 3.91Å; M525-Y563 HydrophobicContact SD-CG 4.47Å; M525-L586 HydrophobicContact CE-CD2 3.62Å; M525-L586 HydrophobicContact SD-CD2 3.73Å; M525-A589 HydrophobicContact CG-CB 4.42Å; M525-A589 HydrophobicContact SD-CB 3.64Å
526	L	94.9	Very high	92.3	Very high	30 Å²	30	30.6 Å²	30.6	16%	0.157	16%	0.163	C	C	.	.	H	α-helix	trans	-75	-22.4	174.7	-67.2	175.3	0	0	0	112.9	L503 I522 T523 A524 V528 L559 N669 T681	L503-L526 HydrophobicContact CD2-CD1 3.91Å; I522-L526 HydrophobicContact CG2-CD1 3.9Å; I522-L526 HydrophobicContact CG2-CG 4.26Å; I522-L526 WeakPolarHBondContact O-CG 3.42Å; I522-L526 PolarHBondContact O-N 3.1Å; T523-L526 PolarHBondContact O-N 3.44Å; A524-L526 VanDerWaalsContact C-N 3.34Å; A524-L526 PolarHBondContact O-N 3.41Å; L526-V528 VanDerWaalsContact C-N 3.28Å; L526-V528 PolarHBondContact O-N 3.22Å; L526-L559 HydrophobicContact CD2-CD1 3.76Å; L526-L559 HydrophobicContact CG-CD1 4.44Å; L526-N669 HydrophobicContact CD2-CB 4.37Å; L526-T681 HydrophobicContact CD2-CG2 4.22Å
527	S	90.4	Very high	91.7	Very high	34 Å²	34	37.6 Å²	37.6	24%	0.238	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-0.5	-179	-61.6	0	0	0	0	113.8	L499 T523 A524 M525	L499-S527 WeakPolarHBondContact CD2-OG 2.92Å; T523-S527 WeakPolarHBondContact O-CB 3.42Å; T523-S527 PolarHBondContact O-N 2.91Å; T523-S527 PolarHBondContact O-OG 2.75Å; A524-S527 PolarHBondContact O-N 3.41Å; M525-S527 VanDerWaalsContact C-N 3.33Å
528	V	88.1	Confident	91.3	Very high	19 Å²	19	37.1 Å²	37.1	12%	0.115	20%	0.197	C	C	.	.	S	Bend	trans	-123.2	162.9	-177.6	-62	0	0	0	0	111.2	M525 L526 S588 A589 V592	M525-V528 VanDerWaalsContact O-CG2 3.28Å; M525-V528 WeakPolarHBondContact O-CG2 3.46Å; L526-V528 VanDerWaalsContact C-N 3.28Å; L526-V528 PolarHBondContact O-N 3.22Å; V528-S588 WeakPolarHBondContact CG1-OG 3.29Å; V528-A589 HydrophobicContact CG1-CB 4.26Å; V528-A589 HydrophobicContact CG2-CB 4Å; V528-V592 HydrophobicContact CG1-CG2 4.33Å
529	P	83.5	Confident	90.9	Very high	56 Å²	56	41.1 Å²	41.1	36%	0.364	21%	0.214	S	C	.	.	S	Bend	trans	-58	155.1	174.1	-23	34.4	0	0	0	112.4	T323 C531 S585	T323-P529 HydrophobicContact CG2-CB 4.01Å; T323-P529 HydrophobicContact CG2-CG 3.36Å; P529-C531 PolarHBondContact O-N 3.34Å; P529-S585 WeakPolarHBondContact O-CB 3.46Å; P529-S585 PolarHBondContact O-OG 3.41Å; P529-S585 VanDerWaalsContact O-OG 3.04Å
530	Q	86.1	Confident	90.7	Very high	99 Å²	99	48.7 Å²	48.7	46%	0.463	25%	0.247	S	C	.	.			trans	-46.5	128.8	-177.6	-168.9	179.9	25.3	0	0	112.3	S585	Q530-S585 PolarHBondContact O-OG 2.88Å
531	C	92.2	Very high	90.5	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.027	27%	0.271	C	S	.	.			trans	-79.8	-23.1	-176.4	64.4	0	0	0	0	113.4	M525 P529 V581 N582	M525-C531 HydrophobicContact CE-CB 3.78Å; P529-C531 PolarHBondContact O-N 3.34Å; C531-V581 HydrophobicContact CB-CG1 4.08Å; C531-V581 CarbonylContact O-C 3.38Å; C531-V581 WeakPolarHBondContact O-CA 3.28Å; C531-V581 WeakPolarHBondContact O-CG1 3.3Å; C531-N582 WeakPolarHBondContact O-CB 3.43Å; C531-N582 PolarHBondContact O-N 3.5Å
532	F	92.9	Very high	90.1	Very high	28 Å²	28	52.7 Å²	52.7	12%	0.123	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-83.2	127.5	-179.1	-64.6	-70.4	0	0	0	111.6	K546 T558 L559 V562	F532-K546 HydrophobicContact CD1-CB 3.98Å; F532-K546 HydrophobicContact CD1-CD 3.96Å; F532-K546 HydrophobicContact CD1-CG 3.83Å; F532-K546 HydrophobicContact CD2-CD 4.03Å; F532-K546 HydrophobicContact CE1-CB 3.99Å; F532-K546 HydrophobicContact CE1-CD 4.06Å; F532-K546 HydrophobicContact CE1-CG 3.58Å; F532-K546 HydrophobicContact CE2-CD 4.13Å; F532-K546 HydrophobicContact CE2-CG 4.35Å; F532-K546 HydrophobicContact CG-CD 3.94Å; F532-K546 HydrophobicContact CG-CG 4.32Å; F532-K546 HydrophobicContact CZ-CD 4.14Å; F532-K546 HydrophobicContact CZ-CG 3.86Å; F532-T558 HydrophobicContact CE2-CG2 4.42Å; F532-T558 HydrophobicContact CZ-CG2 3.89Å; F532-L559 HydrophobicContact CE2-CD2 4.32Å; F532-V562 HydrophobicContact CE1-CG2 3.83Å; F532-V562 HydrophobicContact CZ-CG2 3.62Å
533	V	87.8	Confident	89.9	Confident	61 Å²	61	55.4 Å²	55.4	37%	0.37	29%	0.286	S	S	.	.			trans	-95	121.2	174.1	-176.4	0	0	0	0	108.3	P535 F580 N582	V533-P535 HydrophobicContact CG1-CG 4.19Å; V533-F580 PolarHBondContact N-O 3.44Å; V533-N582 HydrophobicContact CG2-CB 3.88Å
534	R	87.3	Confident	89.7	Confident	133 Å²	133	59.8 Å²	59.8	50%	0.502	31%	0.31	S	S	.	.			trans	-126.2	79.4	-177.5	-166.9	175.1	-176.1	-97.8	0.7	112.1	K539 A542 D543	R534-K539 HydrophobicContact CG-CG 4.5Å; R534-A542 HydrophobicContact CB-CB 4.49Å; R534-A542 HydrophobicContact CG-CB 4.18Å; R534-D543 WeakPolarHBondContact CD-OD1 3.39Å; R534-D543 IonicContact CZ-OD1 2.85Å; R534-D543 IonicContact CZ-OD2 3.66Å; R534-D543 IonicContact NE-OD1 3.86Å; R534-D543 PolarHBondContact NE-OD1 3.15Å; R534-D543 IonicContact NE-OD2 3.97Å; R534-D543 PolarHBondContact NE-OD2 2.65Å; R534-D543 IonicContact NH2-OD1 3.12Å; R534-D543 IonicContact NH2-OD2 3.85Å; R534-D543 PolarHBondContact NH2-OD2 3.06Å
535	P	83.1	Confident	89.7	Confident	41 Å²	41	59.8 Å²	59.8	27%	0.266	31%	0.31	S	S	.	.			trans	-63.4	140.3	-179.2	-18.6	32.3	0	0	0	111.7	V533 E537 A538 K539 F580	V533-P535 HydrophobicContact CG1-CG 4.19Å; P535-E537 PolarHBondContact O-N 3.41Å; P535-A538 HydrophobicContact CB-CB 4.34Å; P535-A538 CarbonylContact O-C 3.58Å; P535-A538 PolarHBondContact O-N 3.16Å; P535-K539 WeakPolarHBondContact O-CG 3.44Å; P535-K539 PolarHBondContact O-N 3.29Å; P535-K539 VanDerWaalsContact O-N 3.11Å; P535-F580 HydrophobicContact CG-CD1 4.42Å; P535-F580 HydrophobicContact CG-CE1 4.29Å
536	T	79.4	Confident	89.6	Confident	83 Å²	83	60.4 Å²	60.4	51%	0.509	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-56.7	-36.3	-177.8	-49.5	0	0	0	0	113.2	K539	T536-K539 WeakPolarHBondContact O-CG 3.32Å
537	E	85	Confident	89.6	Confident	146 Å²	146	63.8 Å²	63.8	68%	0.682	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-78.6	-22.8	-178.4	-65.3	164.5	-152.2	0	0	113.1	R303 P535	R303-E537 IonicContact CZ-OE1 3.34Å; R303-E537 IonicContact NH2-OE1 3.64Å; R303-E537 PolarHBondContact NH2-OE1 2.99Å; P535-E537 PolarHBondContact O-N 3.41Å
538	A	88.4	Confident	89.8	Confident	29 Å²	29	70.1 Å²	70.1	24%	0.24	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-123.6	28.3	-172.8	0	0	0	0	0	112.7	P535 K540 V541 A542 F580	P535-A538 HydrophobicContact CB-CB 4.34Å; P535-A538 CarbonylContact O-C 3.58Å; P535-A538 PolarHBondContact O-N 3.16Å; A538-K540 VanDerWaalsContact C-N 3.33Å; A538-K540 PolarHBondContact O-N 3.16Å; A538-V541 PolarHBondContact O-N 3.34Å; A538-A542 PolarHBondContact O-N 3.3Å; A538-F580 HydrophobicContact CB-CE1 4.28Å
539	K	89.4	Confident	90.2	Very high	91 Å²	91	70.1 Å²	70.1	40%	0.396	35%	0.346	S	S	.	.	H	α-helix	trans	-50.4	-49.6	-175.2	-74.4	177.4	-176	179.5	0	112.9	R534 P535 T536 V541 A542 D543	R534-K539 HydrophobicContact CG-CG 4.5Å; P535-K539 WeakPolarHBondContact O-CG 3.44Å; P535-K539 PolarHBondContact O-N 3.29Å; P535-K539 VanDerWaalsContact O-N 3.11Å; T536-K539 WeakPolarHBondContact O-CG 3.32Å; K539-V541 PolarHBondContact O-N 3.02Å; K539-A542 PolarHBondContact O-N 3.24Å; K539-D543 WeakPolarHBondContact O-CB 3.5Å; K539-D543 PolarHBondContact O-N 2.93Å
540	K	92.6	Very high	90.8	Very high	159 Å²	159	69 Å²	69	69%	0.691	34%	0.341	S	S	*	.	H	α-helix	trans	-62.5	-45.1	-177.3	-171.2	178.7	178.6	-177.7	0	112.2	A538 A542 D543 D544	A538-K540 VanDerWaalsContact C-N 3.33Å; A538-K540 PolarHBondContact O-N 3.16Å; K540-A542 VanDerWaalsContact C-N 3.34Å; K540-A542 PolarHBondContact O-N 3.45Å; K540-D543 PolarHBondContact O-N 2.78Å; K540-D544 WeakPolarHBondContact O-CB 3.36Å; K540-D544 PolarHBondContact O-N 2.86Å
541	V	93.1	Very high	91.3	Very high	81 Å²	81	65.3 Å²	65.3	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-66.2	-39.4	179.8	-173.2	0	0	0	0	111	A538 K539 D544 A545 F580	A538-V541 PolarHBondContact O-N 3.34Å; K539-V541 PolarHBondContact O-N 3.02Å; V541-D544 PolarHBondContact O-N 3.05Å; V541-A545 WeakPolarHBondContact O-CB 3.45Å; V541-A545 PolarHBondContact O-N 3.47Å; V541-F580 HydrophobicContact CB-CE2 4.38Å; V541-F580 HydrophobicContact CB-CZ 4.15Å; V541-F580 HydrophobicContact CG1-CE2 3.59Å; V541-F580 HydrophobicContact CG1-CZ 3.73Å
542	A	91.1	Very high	91.5	Very high	4 Å²	4	70.7 Å²	70.7	3%	0.033	35%	0.351	C	S	.	.	H	α-helix	trans	-65	-40.3	174.8	0	0	0	0	0	112.2	R534 A538 K539 K540 A545 K546 F580	R534-A542 HydrophobicContact CB-CB 4.49Å; R534-A542 HydrophobicContact CG-CB 4.18Å; A538-A542 PolarHBondContact O-N 3.3Å; K539-A542 PolarHBondContact O-N 3.24Å; K540-A542 VanDerWaalsContact C-N 3.34Å; K540-A542 PolarHBondContact O-N 3.45Å; A542-A545 PolarHBondContact O-N 2.74Å; A542-K546 WeakPolarHBondContact O-CB 3.4Å; A542-K546 PolarHBondContact O-N 3.22Å; A542-F580 HydrophobicContact CB-CB 4.28Å; A542-F580 HydrophobicContact CB-CD1 3.63Å; A542-F580 HydrophobicContact CB-CE1 4.12Å; A542-F580 HydrophobicContact CB-CG 3.98Å
543	D	92.9	Very high	91.6	Very high	57 Å²	57	70.8 Å²	70.8	31%	0.305	35%	0.353	S	S	.	.	H	α-helix	trans	-65.9	-44.8	176.2	-65.9	-24.3	0	0	0	110.7	R534 K539 K540 A545 K546 M547	R534-D543 WeakPolarHBondContact CD-OD1 3.39Å; R534-D543 IonicContact CZ-OD1 2.85Å; R534-D543 IonicContact CZ-OD2 3.66Å; R534-D543 IonicContact NE-OD1 3.86Å; R534-D543 PolarHBondContact NE-OD1 3.15Å; R534-D543 IonicContact NE-OD2 3.97Å; R534-D543 PolarHBondContact NE-OD2 2.65Å; R534-D543 IonicContact NH2-OD1 3.12Å; R534-D543 IonicContact NH2-OD2 3.85Å; R534-D543 PolarHBondContact NH2-OD2 3.06Å; K539-D543 WeakPolarHBondContact O-CB 3.5Å; K539-D543 PolarHBondContact O-N 2.93Å; K540-D543 PolarHBondContact O-N 2.78Å; D543-A545 VanDerWaalsContact C-N 3.33Å; D543-A545 PolarHBondContact O-N 3.04Å; D543-K546 WeakPolarHBondContact O-CB 3.5Å; D543-K546 PolarHBondContact O-N 2.85Å; D543-M547 WeakPolarHBondContact O-CG 3.49Å; D543-M547 PolarHBondContact O-N 2.81Å
544	D	93.7	Very high	91.9	Very high	91 Å²	91	67.9 Å²	67.9	49%	0.487	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-39.8	175.8	-67.3	-22.5	0	0	0	111.8	K540 V541 M547	K540-D544 WeakPolarHBondContact O-CB 3.36Å; K540-D544 PolarHBondContact O-N 2.86Å; V541-D544 PolarHBondContact O-N 3.05Å; D544-M547 PolarHBondContact O-N 2.96Å
545	A	94.4	Very high	92.4	Very high	1 Å²	1	62 Å²	62	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-65.9	-42.5	175	0	0	0	0	0	111.8	V541 A542 D543 M547 R548 F580	V541-A545 WeakPolarHBondContact O-CB 3.45Å; V541-A545 PolarHBondContact O-N 3.47Å; A542-A545 PolarHBondContact O-N 2.74Å; D543-A545 VanDerWaalsContact C-N 3.33Å; D543-A545 PolarHBondContact O-N 3.04Å; A545-M547 VanDerWaalsContact C-N 3.31Å; A545-M547 PolarHBondContact O-N 3.22Å; A545-R548 VanDerWaalsContact O-CB 3.32Å; A545-R548 WeakPolarHBondContact O-CB 3.28Å; A545-R548 WeakPolarHBondContact O-CG 3.08Å; A545-R548 PolarHBondContact O-N 3.38Å; A545-F580 HydrophobicContact CB-CB 4.27Å; A545-F580 HydrophobicContact CB-CD2 3.72Å; A545-F580 HydrophobicContact CB-CG 4.36Å
546	K	94.8	Very high	93.1	Very high	22 Å²	22	60 Å²	60	10%	0.096	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-40.9	174.7	174.2	171.6	-176.1	-178.2	0	111.9	F532 A542 D543 R548 F549 A550 S656 V658	F532-K546 HydrophobicContact CD1-CB 3.98Å; F532-K546 HydrophobicContact CD1-CD 3.96Å; F532-K546 HydrophobicContact CD1-CG 3.83Å; F532-K546 HydrophobicContact CD2-CD 4.03Å; F532-K546 HydrophobicContact CE1-CB 3.99Å; F532-K546 HydrophobicContact CE1-CD 4.06Å; F532-K546 HydrophobicContact CE1-CG 3.58Å; F532-K546 HydrophobicContact CE2-CD 4.13Å; F532-K546 HydrophobicContact CE2-CG 4.35Å; F532-K546 HydrophobicContact CG-CD 3.94Å; F532-K546 HydrophobicContact CG-CG 4.32Å; F532-K546 HydrophobicContact CZ-CD 4.14Å; F532-K546 HydrophobicContact CZ-CG 3.86Å; A542-K546 WeakPolarHBondContact O-CB 3.4Å; A542-K546 PolarHBondContact O-N 3.22Å; D543-K546 WeakPolarHBondContact O-CB 3.5Å; D543-K546 PolarHBondContact O-N 2.85Å; K546-R548 PolarHBondContact O-N 3.41Å; K546-R548 VanDerWaalsContact O-N 3.16Å; K546-F549 PolarHBondContact O-N 2.84Å; K546-A550 PolarHBondContact O-N 3.3Å; K546-S656 PolarHBondContact NZ-O 3.17Å; K546-V658 HydrophobicContact CD-CG1 4.44Å; K546-V658 VanDerWaalsContact CE-CG1 3.48Å; K546-V658 HydrophobicContact CG-CG1 4.35Å
547	M	94.6	Very high	94	Very high	101 Å²	101	56 Å²	56	50%	0.498	28%	0.277	S	S	.	.	H	α-helix	trans	-63.1	-19.5	-180	-70.8	-53.4	-65.3	0	0	113.6	D543 D544 A545 F549 A550 V658	D543-M547 WeakPolarHBondContact O-CG 3.49Å; D543-M547 PolarHBondContact O-N 2.81Å; D544-M547 PolarHBondContact O-N 2.96Å; A545-M547 VanDerWaalsContact C-N 3.31Å; A545-M547 PolarHBondContact O-N 3.22Å; M547-F549 PolarHBondContact O-N 3.18Å; M547-A550 HydrophobicContact CE-CB 3.72Å; M547-A550 WeakPolarHBondContact O-CB 3.31Å; M547-A550 PolarHBondContact O-N 2.86Å; M547-A550 HydrophobicContact SD-CB 3.97Å; M547-V658 HydrophobicContact SD-CB 4.46Å; M547-V658 HydrophobicContact SD-CG1 4.44Å
548	R	95.1	Very high	94.6	Very high	167 Å²	167	49.1 Å²	49.1	63%	0.63	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-25.8	172.3	-59.3	177.3	-173.9	164.2	1.2	113.3	A545 K546 N579	A545-R548 VanDerWaalsContact O-CB 3.32Å; A545-R548 WeakPolarHBondContact O-CB 3.28Å; A545-R548 WeakPolarHBondContact O-CG 3.08Å; A545-R548 PolarHBondContact O-N 3.38Å; K546-R548 PolarHBondContact O-N 3.41Å; K546-R548 VanDerWaalsContact O-N 3.16Å; R548-N579 PolarHBondContact NH1-OD1 3.46Å
549	F	96.6	Very high	95	Very high	18 Å²	18	48.8 Å²	48.8	8%	0.079	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-5.7	179.1	-52.6	-74.7	0	0	0	112.7	K546 M547 H551 T558 N561 V562 A565 W575 N579 V581	K546-F549 PolarHBondContact O-N 2.84Å; M547-F549 PolarHBondContact O-N 3.18Å; F549-H551 PolarHBondContact O-N 3.18Å; F549-T558 HydrophobicContact CB-CG2 4.21Å; F549-N561 HydrophobicContact CB-CB 4.29Å; F549-N561 PolarHBondContact O-ND2 3.29Å; F549-V562 HydrophobicContact CB-CG2 3.68Å; F549-V562 HydrophobicContact CD1-CG2 4.12Å; F549-V562 HydrophobicContact CD2-CG2 3.92Å; F549-V562 HydrophobicContact CG-CG2 3.62Å; F549-A565 HydrophobicContact CD1-CB 4.23Å; F549-A565 HydrophobicContact CE1-CB 3.7Å; F549-W575 HydrophobicContact CE1-CH2 4.12Å; F549-W575 AromaticContact CE1-CZ2 3.72Å; F549-W575 HydrophobicContact CE1-CZ2 3.72Å; F549-W575 AromaticContact CZ-CH2 3.96Å; F549-W575 HydrophobicContact CZ-CH2 3.96Å; F549-W575 AromaticContact CZ-CZ2 3.61Å; F549-W575 HydrophobicContact CZ-CZ2 3.61Å; F549-N579 HydrophobicContact CE2-CB 3.97Å; F549-N579 HydrophobicContact CZ-CB 3.93Å; F549-V581 HydrophobicContact CE2-CG2 4.32Å
550	A	96.6	Very high	95.4	Very high	32 Å²	32	44.5 Å²	44.5	26%	0.264	22%	0.22	S	C	.	.			trans	-58.6	129.5	-174.7	0	0	0	0	0	110.7	K546 M547 V658	K546-A550 PolarHBondContact O-N 3.3Å; M547-A550 HydrophobicContact CE-CB 3.72Å; M547-A550 WeakPolarHBondContact O-CB 3.31Å; M547-A550 PolarHBondContact O-N 2.86Å; M547-A550 HydrophobicContact SD-CB 3.97Å; A550-V658 HydrophobicContact CB-CB 3.79Å; A550-V658 HydrophobicContact CB-CG1 3.93Å; A550-V658 HydrophobicContact CB-CG2 4.27Å
551	H	96.9	Very high	95.6	Very high	22 Å²	22	38.7 Å²	38.7	10%	0.102	20%	0.196	C	C	.	.			trans	-103.6	137.6	171.3	-169.5	-84.1	0	0	0	109.6	F549 D553 G554 M557 T558 Y618	F549-H551 PolarHBondContact O-N 3.18Å; H551-D553 IonicContact CE1-OD2 3.48Å; H551-D553 PolarHBondContact CE1-OD2 2.7Å; H551-D553 WeakPolarHBondContact ND1-CB 3.23Å; H551-D553 PolarHBondContact ND1-N 2.84Å; H551-D553 PolarHBondContact O-N 3.02Å; H551-G554 PolarHBondContact O-N 2.79Å; H551-M557 HydrophobicContact CB-CB 3.52Å; H551-T558 PolarHBondContact N-OG1 3.02Å; H551-T558 VanDerWaalsContact N-OG1 3.07Å; H551-Y618 AromaticContact CD2-CE1 3.66Å; H551-Y618 AromaticContact CD2-CZ 3.8Å; H551-Y618 AromaticContact CE1-CD1 3.93Å; H551-Y618 AromaticContact NE2-CD1 3.43Å; H551-Y618 WeakPolarHBondContact NE2-CD1 3.49Å; H551-Y618 AromaticContact NE2-CD2 3.74Å; H551-Y618 AromaticContact NE2-CE1 3.33Å; H551-Y618 VanDerWaalsContact NE2-CE1 3.33Å; H551-Y618 WeakPolarHBondContact NE2-CE1 3.24Å; H551-Y618 AromaticContact NE2-CE2 3.65Å; H551-Y618 AromaticContact NE2-CG 3.62Å; H551-Y618 AromaticContact NE2-CZ 3.43Å
552	I	95.3	Very high	95.8	Very high	118 Å²	118	34.9 Å²	34.9	61%	0.605	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-36.1	-176.4	-168.5	168.1	0	0	0	113	G554 L659	I552-G554 VanDerWaalsContact C-N 3.31Å; I552-G554 PolarHBondContact O-N 3.4Å; I552-L659 WeakPolarHBondContact O-CD2 3.25Å
553	D	94.5	Very high	96.1	Very high	29 Å²	29	35 Å²	35	16%	0.155	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.5	179.2	-63.8	-30	0	0	0	113.9	H551 R622 T683 D684	H551-D553 IonicContact CE1-OD2 3.48Å; H551-D553 PolarHBondContact CE1-OD2 2.7Å; H551-D553 WeakPolarHBondContact ND1-CB 3.23Å; H551-D553 PolarHBondContact ND1-N 2.84Å; H551-D553 PolarHBondContact O-N 3.02Å; D553-R622 IonicContact OD1-CZ 2.94Å; D553-R622 IonicContact OD1-NH1 3.95Å; D553-R622 PolarHBondContact OD1-NH1 3.25Å; D553-R622 VanDerWaalsContact OD1-NH1 3.12Å; D553-R622 WeakPolarHBondContact OD2-CD 3.37Å; D553-R622 IonicContact OD2-CZ 3.54Å; D553-R622 IonicContact OD2-NE 2.71Å; D553-R622 IonicContact OD2-NH1 3.7Å; D553-R622 PolarHBondContact OD2-NH1 3.04Å; D553-T683 CarbonylContact O-C 3.55Å; D553-T683 VanDerWaalsContact O-CA 3.32Å; D553-T683 WeakPolarHBondContact O-CA 3.43Å; D553-T683 WeakPolarHBondContact O-CG2 3.38Å; D553-D684 PolarHBondContact O-N 3.19Å
554	G	95.7	Very high	96.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	125.6	-163.3	167.1	0	0	0	0	0	117.7	H551 I552 T558 C682	H551-G554 PolarHBondContact O-N 2.79Å; I552-G554 VanDerWaalsContact C-N 3.31Å; I552-G554 PolarHBondContact O-N 3.4Å; G554-T558 PolarHBondContact O-N 2.87Å; G554-T558 PolarHBondContact O-OG1 2.91Å; G554-C682 CarbonylContact C-O 3.46Å; G554-C682 WeakPolarHBondContact CA-O 3.46Å
555	D	97.4	Very high	96.5	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.048	15%	0.153	C	C	.	.	H	α-helix	trans	-74.4	-34.4	-162.3	-66.2	-49.3	0	0	0	113.6	M557 T558 L559 T657 V658 T681 C682	D555-M557 VanDerWaalsContact C-N 3.34Å; D555-M557 PolarHBondContact O-N 3.2Å; D555-T558 WeakPolarHBondContact O-CA 3.25Å; D555-T558 VanDerWaalsContact O-CB 3.28Å; D555-T558 WeakPolarHBondContact O-CB 3.26Å; D555-T558 PolarHBondContact O-N 3.22Å; D555-T558 VanDerWaalsContact O-N 3.15Å; D555-L559 WeakPolarHBondContact O-CG 3.24Å; D555-L559 PolarHBondContact O-N 2.92Å; D555-T657 WeakPolarHBondContact OD1-CA 3.45Å; D555-T657 WeakPolarHBondContact OD2-CA 3.45Å; D555-T657 WeakPolarHBondContact OD2-CB 3.43Å; D555-T657 PolarHBondContact OD2-OG1 3.33Å; D555-V658 PolarHBondContact OD1-N 2.93Å; D555-T681 HydrophobicContact CB-CG2 3.76Å; D555-T681 WeakPolarHBondContact OD2-CA 3.33Å; D555-C682 PolarHBondContact N-O 3Å; D555-C682 PolarHBondContact OD2-N 2.85Å
556	H	97.9	Very high	96.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.9	-41.7	178.7	-66.7	90.8	0	0	0	111.9	I522 T558 L559 L560 L625 T681 T683	I522-H556 HydrophobicContact CG2-CB 4.42Å; H556-T558 VanDerWaalsContact C-N 3.29Å; H556-L559 WeakPolarHBondContact O-CB 3.44Å; H556-L559 PolarHBondContact O-N 2.86Å; H556-L560 PolarHBondContact O-N 3.11Å; H556-L560 VanDerWaalsContact O-N 3.12Å; H556-L625 HydrophobicContact CB-CD1 3.77Å; H556-L625 HydrophobicContact CB-CD2 4.49Å; H556-T681 PolarHBondContact CE1-O 3.12Å; H556-T683 PolarHBondContact N-OG1 3.45Å; H556-T683 PolarHBondContact ND1-OG1 3.07Å
557	M	97.3	Very high	96.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-71.6	-30.7	176.9	-59.2	-47.6	92	0	0	110.7	I522 H551 D555 L560 N561 Y618 I621 L625	I522-M557 HydrophobicContact CD1-CE 3.5Å; I522-M557 VanDerWaalsContact CD1-CE 3.5Å; H551-M557 HydrophobicContact CB-CB 3.52Å; D555-M557 VanDerWaalsContact C-N 3.34Å; D555-M557 PolarHBondContact O-N 3.2Å; M557-L560 WeakPolarHBondContact O-CB 3.49Å; M557-L560 PolarHBondContact O-N 2.88Å; M557-N561 VanDerWaalsContact O-CG 3.29Å; M557-N561 PolarHBondContact O-N 3.27Å; M557-Y618 HydrophobicContact CG-CD1 4.14Å; M557-Y618 HydrophobicContact SD-CD1 3.99Å; M557-I621 HydrophobicContact CE-CB 4.37Å; M557-I621 HydrophobicContact CE-CG2 3.49Å; M557-I621 VanDerWaalsContact CE-CG2 3.49Å; M557-I621 HydrophobicContact SD-CB 4.01Å; M557-I621 HydrophobicContact SD-CD1 4.15Å; M557-I621 HydrophobicContact SD-CG2 3.65Å; M557-L625 HydrophobicContact CE-CD1 3.95Å
558	T	97.7	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-42.3	171.7	-57.8	0	0	0	0	111.3	F532 F549 H551 G554 D555 H556 L560 N561 V562 V658	F532-T558 HydrophobicContact CE2-CG2 4.42Å; F532-T558 HydrophobicContact CZ-CG2 3.89Å; F549-T558 HydrophobicContact CB-CG2 4.21Å; H551-T558 PolarHBondContact N-OG1 3.02Å; H551-T558 VanDerWaalsContact N-OG1 3.07Å; G554-T558 PolarHBondContact O-N 2.87Å; G554-T558 PolarHBondContact O-OG1 2.91Å; D555-T558 WeakPolarHBondContact O-CA 3.25Å; D555-T558 VanDerWaalsContact O-CB 3.28Å; D555-T558 WeakPolarHBondContact O-CB 3.26Å; D555-T558 PolarHBondContact O-N 3.22Å; D555-T558 VanDerWaalsContact O-N 3.15Å; H556-T558 VanDerWaalsContact C-N 3.29Å; T558-L560 VanDerWaalsContact C-N 3.31Å; T558-L560 PolarHBondContact O-N 3.05Å; T558-N561 PolarHBondContact O-N 3.32Å; T558-V562 WeakPolarHBondContact O-CG2 3.36Å; T558-V562 PolarHBondContact O-N 2.81Å; T558-V658 HydrophobicContact CG2-CG1 4Å; T558-V658 VanDerWaalsContact OG1-CG2 3.3Å; T558-V658 WeakPolarHBondContact OG1-CG2 3.35Å
559	L	97.7	Very high	96.8	Very high	22 Å²	22	30.6 Å²	30.6	12%	0.115	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-39.8	173.7	-66.7	175	0	0	0	111.8	M525 L526 F532 D555 H556 V562 Y563 T681	M525-L559 HydrophobicContact CB-CB 4.14Å; M525-L559 HydrophobicContact CB-CD1 4.43Å; M525-L559 HydrophobicContact CE-CD2 4.12Å; M525-L559 HydrophobicContact CG-CB 4.49Å; L526-L559 HydrophobicContact CD2-CD1 3.76Å; L526-L559 HydrophobicContact CG-CD1 4.44Å; F532-L559 HydrophobicContact CE2-CD2 4.32Å; D555-L559 WeakPolarHBondContact O-CG 3.24Å; D555-L559 PolarHBondContact O-N 2.92Å; H556-L559 WeakPolarHBondContact O-CB 3.44Å; H556-L559 PolarHBondContact O-N 2.86Å; L559-V562 PolarHBondContact O-N 3.22Å; L559-Y563 PolarHBondContact O-N 2.95Å; L559-T681 HydrophobicContact CD1-CG2 4.12Å
560	L	97.4	Very high	96.7	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-46.7	174.4	-177.7	65.2	0	0	0	111.7	E518 I522 H556 M557 T558 V562 Y563 H564 I621	E518-L560 HydrophobicContact CB-CD1 4.1Å; E518-L560 HydrophobicContact CB-CD2 3.9Å; E518-L560 HydrophobicContact CG-CD1 4.27Å; E518-L560 HydrophobicContact CG-CD2 3.82Å; I522-L560 HydrophobicContact CD1-CB 4.34Å; I522-L560 HydrophobicContact CD1-CD2 4.48Å; I522-L560 HydrophobicContact CG1-CB 4Å; I522-L560 HydrophobicContact CG1-CD1 4.36Å; H556-L560 PolarHBondContact O-N 3.11Å; H556-L560 VanDerWaalsContact O-N 3.12Å; M557-L560 WeakPolarHBondContact O-CB 3.49Å; M557-L560 PolarHBondContact O-N 2.88Å; T558-L560 VanDerWaalsContact C-N 3.31Å; T558-L560 PolarHBondContact O-N 3.05Å; L560-V562 VanDerWaalsContact C-N 3.35Å; L560-V562 PolarHBondContact O-N 3.11Å; L560-Y563 PolarHBondContact O-N 2.86Å; L560-H564 WeakPolarHBondContact CD1-NE2 3.38Å; L560-H564 PolarHBondContact O-N 3.31Å; L560-I621 HydrophobicContact CD2-CD1 3.97Å
561	N	97.6	Very high	96.6	Very high	38 Å²	38	38.6 Å²	38.6	20%	0.203	19%	0.189	C	C	.	.	H	α-helix	trans	-59.2	-44.7	177.4	-72.9	-13.2	0	0	0	111.8	F549 M557 T558 Y563 H564 A565	F549-N561 HydrophobicContact CB-CB 4.29Å; F549-N561 PolarHBondContact O-ND2 3.29Å; M557-N561 VanDerWaalsContact O-CG 3.29Å; M557-N561 PolarHBondContact O-N 3.27Å; T558-N561 PolarHBondContact O-N 3.32Å; N561-Y563 VanDerWaalsContact C-N 3.35Å; N561-Y563 PolarHBondContact O-N 3.09Å; N561-H564 PolarHBondContact O-N 3.13Å; N561-A565 VanDerWaalsContact O-CB 3.28Å; N561-A565 WeakPolarHBondContact O-CB 3.43Å; N561-A565 PolarHBondContact O-N 3.42Å
562	V	97.6	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-46.4	175.7	171.9	0	0	0	0	110.7	M525 F532 F549 T558 L559 L560 A565 F566 V581 L586	M525-V562 HydrophobicContact CE-CG1 4.27Å; F532-V562 HydrophobicContact CE1-CG2 3.83Å; F532-V562 HydrophobicContact CZ-CG2 3.62Å; F549-V562 HydrophobicContact CB-CG2 3.68Å; F549-V562 HydrophobicContact CD1-CG2 4.12Å; F549-V562 HydrophobicContact CD2-CG2 3.92Å; F549-V562 HydrophobicContact CG-CG2 3.62Å; T558-V562 WeakPolarHBondContact O-CG2 3.36Å; T558-V562 PolarHBondContact O-N 2.81Å; L559-V562 PolarHBondContact O-N 3.22Å; L560-V562 VanDerWaalsContact C-N 3.35Å; L560-V562 PolarHBondContact O-N 3.11Å; V562-A565 PolarHBondContact O-N 3.03Å; V562-F566 WeakPolarHBondContact O-CB 3.43Å; V562-F566 PolarHBondContact O-N 2.97Å; V562-V581 HydrophobicContact CG1-CG1 3.72Å; V562-V581 HydrophobicContact CG1-CG2 4.32Å; V562-L586 HydrophobicContact CG1-CD1 4.49Å; V562-L586 HydrophobicContact CG1-CD2 3.85Å
563	Y	97.6	Very high	96.3	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.027	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-45.6	-179.9	-176	-97	0	0	0	112.1	M525 L559 L560 N561 F566 K567 A589 D590 R593	M525-Y563 HydrophobicContact CG-CD2 4.27Å; M525-Y563 HydrophobicContact CG-CG 4.45Å; M525-Y563 HydrophobicContact SD-CD2 3.91Å; M525-Y563 HydrophobicContact SD-CG 4.47Å; L559-Y563 PolarHBondContact O-N 2.95Å; L560-Y563 PolarHBondContact O-N 2.86Å; N561-Y563 VanDerWaalsContact C-N 3.35Å; N561-Y563 PolarHBondContact O-N 3.09Å; Y563-F566 PolarHBondContact O-N 2.87Å; Y563-K567 HydrophobicContact CD1-CG 4.36Å; Y563-K567 HydrophobicContact CE1-CG 3.87Å; Y563-K567 HydrophobicContact CE2-CG 4.45Å; Y563-K567 WeakPolarHBondContact O-CG 3.47Å; Y563-K567 PolarHBondContact O-N 2.93Å; Y563-K567 VanDerWaalsContact O-N 3.09Å; Y563-A589 HydrophobicContact CE2-CB 4.48Å; Y563-D590 HydrophobicContact CE2-CB 4.26Å; Y563-D590 PolarHBondContact OH-OD1 3.34Å; Y563-R593 WeakPolarHBondContact OH-CD 3.27Å
564	H	96.7	Very high	96.2	Very high	56 Å²	56	42.1 Å²	42.1	26%	0.259	21%	0.213	S	C	.	.	H	α-helix	trans	-61.7	-46.5	176.1	-72.7	175.9	0	0	0	111.9	L560 N561 F566 K567 Q568	L560-H564 WeakPolarHBondContact CD1-NE2 3.38Å; L560-H564 PolarHBondContact O-N 3.31Å; N561-H564 PolarHBondContact O-N 3.13Å; H564-F566 VanDerWaalsContact C-N 3.29Å; H564-F566 PolarHBondContact O-N 3.43Å; H564-K567 PolarHBondContact O-N 3.39Å; H564-Q568 WeakPolarHBondContact O-CB 3.44Å; H564-Q568 VanDerWaalsContact O-CG 3.25Å; H564-Q568 WeakPolarHBondContact O-CG 3.37Å; H564-Q568 PolarHBondContact O-N 3.04Å
565	A	97.1	Very high	96.2	Very high	14 Å²	14	43.6 Å²	43.6	12%	0.116	22%	0.218	C	C	.	.	H	α-helix	trans	-61.8	-39.2	178.4	0	0	0	0	0	111.5	F549 N561 V562 Q568 N569 W575	F549-A565 HydrophobicContact CD1-CB 4.23Å; F549-A565 HydrophobicContact CE1-CB 3.7Å; N561-A565 VanDerWaalsContact O-CB 3.28Å; N561-A565 WeakPolarHBondContact O-CB 3.43Å; N561-A565 PolarHBondContact O-N 3.42Å; V562-A565 PolarHBondContact O-N 3.03Å; A565-Q568 PolarHBondContact O-N 2.84Å; A565-N569 WeakPolarHBondContact O-CB 3.45Å; A565-N569 PolarHBondContact O-N 2.65Å; A565-N569 PolarHBondContact O-ND2 2.98Å; A565-W575 HydrophobicContact CB-CH2 3.88Å; A565-W575 HydrophobicContact CB-CZ2 3.5Å; A565-W575 VanDerWaalsContact CB-CZ2 3.5Å
566	F	97.2	Very high	96	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.6	-46.9	175.4	176	-117.1	0	0	0	112.8	V562 Y563 H564 N569 E571 W575 C576 Y583 L586 M587	V562-F566 WeakPolarHBondContact O-CB 3.43Å; V562-F566 PolarHBondContact O-N 2.97Å; Y563-F566 PolarHBondContact O-N 2.87Å; H564-F566 VanDerWaalsContact C-N 3.29Å; H564-F566 PolarHBondContact O-N 3.43Å; F566-N569 CarbonylContact O-C 3.56Å; F566-N569 PolarHBondContact O-N 2.81Å; F566-E571 HydrophobicContact CD1-CG 4.43Å; F566-E571 HydrophobicContact CE1-CB 4.1Å; F566-E571 HydrophobicContact CE1-CG 3.73Å; F566-E571 VanDerWaalsContact CE2-CA 3.43Å; F566-E571 HydrophobicContact CE2-CB 4.03Å; F566-E571 HydrophobicContact CZ-CB 3.61Å; F566-E571 HydrophobicContact CZ-CG 3.8Å; F566-E571 PolarHBondContact O-N 3.47Å; F566-W575 HydrophobicContact CB-CH2 4.15Å; F566-W575 HydrophobicContact CB-CZ3 3.76Å; F566-W575 HydrophobicContact CD2-CE3 4.02Å; F566-W575 AromaticContact CD2-CZ3 3.92Å; F566-W575 HydrophobicContact CD2-CZ3 3.92Å; F566-W575 HydrophobicContact CG-CZ3 4.35Å; F566-C576 VanDerWaalsContact CE2-SG 3.53Å; F566-Y583 AromaticContact CE2-CD2 3.76Å; F566-Y583 HydrophobicContact CE2-CD2 3.76Å; F566-Y583 AromaticContact CE2-CE2 3.94Å; F566-Y583 HydrophobicContact CE2-CE2 3.94Å; F566-Y583 AromaticContact CZ-CD2 3.96Å; F566-Y583 HydrophobicContact CZ-CD2 3.96Å; F566-Y583 AromaticContact CZ-CE2 3.84Å; F566-Y583 HydrophobicContact CZ-CE2 3.84Å; F566-L586 HydrophobicContact CB-CD1 3.88Å; F566-L586 HydrophobicContact CB-CD2 4.47Å; F566-L586 HydrophobicContact CD1-CB 3.72Å; F566-L586 HydrophobicContact CD1-CD1 4.2Å; F566-L586 HydrophobicContact CD1-CG 4.4Å; F566-L586 HydrophobicContact CD2-CB 4.27Å; F566-L586 HydrophobicContact CD2-CD1 3.58Å; F566-L586 HydrophobicContact CE1-CB 3.64Å; F566-L586 HydrophobicContact CE2-CB 4.19Å; F566-L586 HydrophobicContact CE2-CD1 4.07Å; F566-L586 HydrophobicContact CG-CB 4.02Å; F566-L586 HydrophobicContact CG-CD1 3.62Å; F566-L586 HydrophobicContact CG-CG 4.28Å; F566-L586 HydrophobicContact CZ-CB 3.87Å; F566-M587 HydrophobicContact CE1-SD 4.07Å; F566-M587 HydrophobicContact CZ-CG 4.15Å; F566-M587 HydrophobicContact CZ-SD 3.7Å
567	K	96.3	Very high	95.7	Very high	67 Å²	67	52 Å²	52	29%	0.291	25%	0.251	S	S	.	.	H	α-helix	trans	-67.7	-37.5	178.6	-63.6	-62	-67.5	174.2	0	112.2	Y563 H564 N569 H570 E571 D590	Y563-K567 HydrophobicContact CD1-CG 4.36Å; Y563-K567 HydrophobicContact CE1-CG 3.87Å; Y563-K567 HydrophobicContact CE2-CG 4.45Å; Y563-K567 WeakPolarHBondContact O-CG 3.47Å; Y563-K567 PolarHBondContact O-N 2.93Å; Y563-K567 VanDerWaalsContact O-N 3.09Å; H564-K567 PolarHBondContact O-N 3.39Å; K567-N569 VanDerWaalsContact C-N 3.27Å; K567-N569 PolarHBondContact O-N 3.35Å; K567-H570 PolarHBondContact O-N 3.24Å; K567-E571 WeakPolarHBondContact CD-OE1 3.41Å; K567-E571 WeakPolarHBondContact CE-OE1 3.26Å; K567-E571 IonicContact NZ-OE1 2.76Å; K567-E571 PolarHBondContact NZ-OE1 3.28Å; K567-D590 IonicContact NZ-OD1 3.66Å; K567-D590 PolarHBondContact NZ-OD1 3.25Å; K567-D590 IonicContact NZ-OD2 2.75Å; K567-D590 PolarHBondContact NZ-OD2 2.84Å
568	Q	96.2	Very high	95.4	Very high	142 Å²	142	56 Å²	56	66%	0.664	27%	0.272	S	S	*	.	H	α-helix	trans	-66.4	-29.6	175.9	-72.5	171.5	4.8	0	0	112.6	H564 A565 H570	H564-Q568 WeakPolarHBondContact O-CB 3.44Å; H564-Q568 VanDerWaalsContact O-CG 3.25Å; H564-Q568 WeakPolarHBondContact O-CG 3.37Å; H564-Q568 PolarHBondContact O-N 3.04Å; A565-Q568 PolarHBondContact O-N 2.84Å; Q568-H570 VanDerWaalsContact C-N 3.26Å; Q568-H570 PolarHBondContact O-N 3.24Å
569	N	96.1	Very high	95.3	Very high	67 Å²	67	56.8 Å²	56.8	36%	0.358	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	26.3	176.5	-71.5	-87.2	0	0	0	112.7	A565 F566 K567 E571 S572 W575	A565-N569 WeakPolarHBondContact O-CB 3.45Å; A565-N569 PolarHBondContact O-N 2.65Å; A565-N569 PolarHBondContact O-ND2 2.98Å; F566-N569 CarbonylContact O-C 3.56Å; F566-N569 PolarHBondContact O-N 2.81Å; K567-N569 VanDerWaalsContact C-N 3.27Å; K567-N569 PolarHBondContact O-N 3.35Å; N569-E571 VanDerWaalsContact C-N 3.28Å; N569-E571 PolarHBondContact O-N 2.62Å; N569-S572 VanDerWaalsContact O-CB 3.23Å; N569-S572 WeakPolarHBondContact O-CB 3.25Å; N569-S572 PolarHBondContact O-N 3.33Å; N569-S572 VanDerWaalsContact O-N 3.12Å; N569-W575 HydrophobicContact CB-CB 4.24Å; N569-W575 HydrophobicContact CB-CD2 4.08Å; N569-W575 HydrophobicContact CB-CG 3.75Å; N569-W575 PolarHBondContact ND2-NE1 3.37Å
570	H	94.4	Very high	95	Very high	161 Å²	161	58 Å²	58	75%	0.745	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	42.1	173	-53	-60.7	0	0	0	114	K567 Q568 S572	K567-H570 PolarHBondContact O-N 3.24Å; Q568-H570 VanDerWaalsContact C-N 3.26Å; Q568-H570 PolarHBondContact O-N 3.24Å; H570-S572 PolarHBondContact O-N 3.3Å; H570-S572 VanDerWaalsContact O-N 3.1Å
571	E	93.8	Very high	94.9	Very high	58 Å²	58	58.3 Å²	58.3	27%	0.271	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	35.4	178	-56.8	78.3	-155.4	0	0	113	F566 K567 N569 T573 Y583 M587	F566-E571 HydrophobicContact CD1-CG 4.43Å; F566-E571 HydrophobicContact CE1-CB 4.1Å; F566-E571 HydrophobicContact CE1-CG 3.73Å; F566-E571 VanDerWaalsContact CE2-CA 3.43Å; F566-E571 HydrophobicContact CE2-CB 4.03Å; F566-E571 HydrophobicContact CZ-CB 3.61Å; F566-E571 HydrophobicContact CZ-CG 3.8Å; F566-E571 PolarHBondContact O-N 3.47Å; K567-E571 WeakPolarHBondContact CD-OE1 3.41Å; K567-E571 WeakPolarHBondContact CE-OE1 3.26Å; K567-E571 IonicContact NZ-OE1 2.76Å; K567-E571 PolarHBondContact NZ-OE1 3.28Å; N569-E571 VanDerWaalsContact C-N 3.28Å; N569-E571 PolarHBondContact O-N 2.62Å; E571-T573 PolarHBondContact O-N 3.11Å; E571-Y583 WeakPolarHBondContact O-CE2 3.27Å; E571-M587 HydrophobicContact CB-SD 4.14Å; E571-M587 HydrophobicContact CG-SD 4.22Å
572	S	94.4	Very high	94.5	Very high	44 Å²	44	58.5 Å²	58.5	31%	0.308	28%	0.284	S	S	.	.			trans	-70.3	124.2	-175.4	173.5	0	0	0	0	112.6	N569 H570 Q574 W575 C576	N569-S572 VanDerWaalsContact O-CB 3.23Å; N569-S572 WeakPolarHBondContact O-CB 3.25Å; N569-S572 PolarHBondContact O-N 3.33Å; N569-S572 VanDerWaalsContact O-N 3.12Å; H570-S572 PolarHBondContact O-N 3.3Å; H570-S572 VanDerWaalsContact O-N 3.1Å; S572-Q574 VanDerWaalsContact C-N 3.29Å; S572-Q574 PolarHBondContact O-N 2.94Å; S572-Q574 PolarHBondContact OG-N 3.39Å; S572-W575 PolarHBondContact O-N 3.3Å; S572-W575 PolarHBondContact OG-N 2.73Å; S572-C576 PolarHBondContact O-N 3.41Å; S572-C576 PolarHBondContact O-SG 3.29Å
573	T	91.3	Very high	94.1	Very high	85 Å²	85	62.1 Å²	62.1	52%	0.521	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-38.1	171.8	-51.2	0	0	0	0	111.7	E571 C576 Y577	E571-T573 PolarHBondContact O-N 3.11Å; T573-C576 WeakPolarHBondContact O-CB 3.2Å; T573-C576 PolarHBondContact O-N 3.01Å; T573-Y577 PolarHBondContact O-N 2.8Å; T573-Y577 VanDerWaalsContact O-N 3.15Å
574	Q	93	Very high	93.4	Very high	114 Å²	114	66.8 Å²	66.8	53%	0.533	32%	0.315	S	S	.	.	H	α-helix	trans	-65.5	-44.3	178.7	-175.4	60.6	42	0	0	110.8	S572 C576 Y577 D578	S572-Q574 VanDerWaalsContact C-N 3.29Å; S572-Q574 PolarHBondContact O-N 2.94Å; S572-Q574 PolarHBondContact OG-N 3.39Å; Q574-C576 VanDerWaalsContact C-N 3.26Å; Q574-C576 PolarHBondContact O-N 3.31Å; Q574-Y577 WeakPolarHBondContact O-CB 3.5Å; Q574-Y577 PolarHBondContact O-N 3.43Å; Q574-Y577 VanDerWaalsContact O-N 3.1Å; Q574-D578 PolarHBondContact NE2-OD1 3.42Å; Q574-D578 PolarHBondContact NE2-OD2 2.99Å; Q574-D578 VanDerWaalsContact O-CG 3.26Å; Q574-D578 PolarHBondContact O-N 3.39Å
575	W	96.1	Very high	93	Very high	30 Å²	30	64.3 Å²	64.3	11%	0.114	31%	0.305	C	S	.	.	H	α-helix	trans	-59.1	-39.2	176.9	177.3	90.8	0	0	0	112.2	F549 A565 F566 N569 S572 D578 N579 L586	F549-W575 HydrophobicContact CE1-CH2 4.12Å; F549-W575 AromaticContact CE1-CZ2 3.72Å; F549-W575 HydrophobicContact CE1-CZ2 3.72Å; F549-W575 AromaticContact CZ-CH2 3.96Å; F549-W575 HydrophobicContact CZ-CH2 3.96Å; F549-W575 AromaticContact CZ-CZ2 3.61Å; F549-W575 HydrophobicContact CZ-CZ2 3.61Å; A565-W575 HydrophobicContact CB-CH2 3.88Å; A565-W575 HydrophobicContact CB-CZ2 3.5Å; A565-W575 VanDerWaalsContact CB-CZ2 3.5Å; F566-W575 HydrophobicContact CB-CH2 4.15Å; F566-W575 HydrophobicContact CB-CZ3 3.76Å; F566-W575 HydrophobicContact CD2-CE3 4.02Å; F566-W575 AromaticContact CD2-CZ3 3.92Å; F566-W575 HydrophobicContact CD2-CZ3 3.92Å; F566-W575 HydrophobicContact CG-CZ3 4.35Å; N569-W575 HydrophobicContact CB-CB 4.24Å; N569-W575 HydrophobicContact CB-CD2 4.08Å; N569-W575 HydrophobicContact CB-CG 3.75Å; N569-W575 PolarHBondContact ND2-NE1 3.37Å; S572-W575 PolarHBondContact O-N 3.3Å; S572-W575 PolarHBondContact OG-N 2.73Å; W575-D578 PolarHBondContact O-N 3.06Å; W575-N579 PolarHBondContact NE1-ND2 3.49Å; W575-N579 WeakPolarHBondContact O-CB 3.44Å; W575-N579 PolarHBondContact O-N 2.86Å; W575-N579 VanDerWaalsContact O-N 3.15Å; W575-N579 PolarHBondContact O-ND2 2.82Å; W575-L586 HydrophobicContact CZ3-CD1 4.2Å
576	C	93.3	Very high	92.8	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.02	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-43.6	176	-68.4	0	0	0	0	111.7	F566 S572 T573 Q574 N579 F580 V581	F566-C576 VanDerWaalsContact CE2-SG 3.53Å; S572-C576 PolarHBondContact O-N 3.41Å; S572-C576 PolarHBondContact O-SG 3.29Å; T573-C576 WeakPolarHBondContact O-CB 3.2Å; T573-C576 PolarHBondContact O-N 3.01Å; Q574-C576 VanDerWaalsContact C-N 3.26Å; Q574-C576 PolarHBondContact O-N 3.31Å; C576-N579 PolarHBondContact O-N 2.87Å; C576-F580 PolarHBondContact O-N 3.34Å; C576-F580 VanDerWaalsContact O-N 3.13Å; C576-V581 CarbonylContact C-O 3.55Å; C576-V581 WeakPolarHBondContact CB-O 3.38Å; C576-V581 PolarHBondContact O-N 2.89Å
577	Y	90.1	Very high	92.5	Very high	184 Å²	184	67 Å²	67	72%	0.722	32%	0.316	S	S	*	.	H	α-helix	trans	-61.9	-48.1	176.9	-174.1	-93.6	0	0	0	111.5	T573 Q574 N579 F580	T573-Y577 PolarHBondContact O-N 2.8Å; T573-Y577 VanDerWaalsContact O-N 3.15Å; Q574-Y577 WeakPolarHBondContact O-CB 3.5Å; Q574-Y577 PolarHBondContact O-N 3.43Å; Q574-Y577 VanDerWaalsContact O-N 3.1Å; Y577-N579 PolarHBondContact O-N 3.2Å; Y577-F580 PolarHBondContact O-N 3.18Å
578	D	92.5	Very high	92.1	Very high	82 Å²	82	66.1 Å²	66.1	44%	0.439	32%	0.318	S	S	.	.	H	α-helix	trans	-65.5	-23.3	-177.5	-62.9	-21.9	0	0	0	113.3	Q574 W575	Q574-D578 PolarHBondContact NE2-OD1 3.42Å; Q574-D578 PolarHBondContact NE2-OD2 2.99Å; Q574-D578 VanDerWaalsContact O-CG 3.26Å; Q574-D578 PolarHBondContact O-N 3.39Å; W575-D578 PolarHBondContact O-N 3.06Å
579	N	94.3	Very high	91.9	Very high	17 Å²	17	59.3 Å²	59.3	9%	0.091	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	10.2	-178.7	-69	-74.8	0	0	0	114	R548 F549 W575 C576 Y577 V581	R548-N579 PolarHBondContact NH1-OD1 3.46Å; F549-N579 HydrophobicContact CE2-CB 3.97Å; F549-N579 HydrophobicContact CZ-CB 3.93Å; W575-N579 PolarHBondContact NE1-ND2 3.49Å; W575-N579 WeakPolarHBondContact O-CB 3.44Å; W575-N579 PolarHBondContact O-N 2.86Å; W575-N579 VanDerWaalsContact O-N 3.15Å; W575-N579 PolarHBondContact O-ND2 2.82Å; C576-N579 PolarHBondContact O-N 2.87Å; Y577-N579 PolarHBondContact O-N 3.2Å; N579-V581 HydrophobicContact CB-CG2 4.05Å; N579-V581 WeakPolarHBondContact O-CG2 3.22Å; N579-V581 PolarHBondContact O-N 3.12Å
580	F	93	Very high	91.8	Very high	49 Å²	49	56.8 Å²	56.8	22%	0.215	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	36.9	-179.7	-68.8	-100.8	0	0	0	113	V533 P535 A538 V541 A542 A545 C576 Y577	V533-F580 PolarHBondContact N-O 3.44Å; P535-F580 HydrophobicContact CG-CD1 4.42Å; P535-F580 HydrophobicContact CG-CE1 4.29Å; A538-F580 HydrophobicContact CB-CE1 4.28Å; V541-F580 HydrophobicContact CB-CE2 4.38Å; V541-F580 HydrophobicContact CB-CZ 4.15Å; V541-F580 HydrophobicContact CG1-CE2 3.59Å; V541-F580 HydrophobicContact CG1-CZ 3.73Å; A542-F580 HydrophobicContact CB-CB 4.28Å; A542-F580 HydrophobicContact CB-CD1 3.63Å; A542-F580 HydrophobicContact CB-CE1 4.12Å; A542-F580 HydrophobicContact CB-CG 3.98Å; A545-F580 HydrophobicContact CB-CB 4.27Å; A545-F580 HydrophobicContact CB-CD2 3.72Å; A545-F580 HydrophobicContact CB-CG 4.36Å; C576-F580 PolarHBondContact O-N 3.34Å; C576-F580 VanDerWaalsContact O-N 3.13Å; Y577-F580 PolarHBondContact O-N 3.18Å
581	V	93.6	Very high	91.6	Very high	7 Å²	7	52 Å²	52	4%	0.042	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-108.9	142.3	176.6	-163.6	0	0	0	0	110.2	C531 F549 V562 C576 N579 Y583 L586	C531-V581 HydrophobicContact CB-CG1 4.08Å; C531-V581 CarbonylContact O-C 3.38Å; C531-V581 WeakPolarHBondContact O-CA 3.28Å; C531-V581 WeakPolarHBondContact O-CG1 3.3Å; F549-V581 HydrophobicContact CE2-CG2 4.32Å; V562-V581 HydrophobicContact CG1-CG1 3.72Å; V562-V581 HydrophobicContact CG1-CG2 4.32Å; C576-V581 CarbonylContact C-O 3.55Å; C576-V581 WeakPolarHBondContact CB-O 3.38Å; C576-V581 PolarHBondContact O-N 2.89Å; N579-V581 HydrophobicContact CB-CG2 4.05Å; N579-V581 WeakPolarHBondContact O-CG2 3.22Å; N579-V581 PolarHBondContact O-N 3.12Å; V581-Y583 PolarHBondContact O-N 2.98Å; V581-L586 HydrophobicContact CB-CD1 4.16Å; V581-L586 HydrophobicContact CG1-CD1 3.37Å; V581-L586 HydrophobicContact CG1-CD2 4.3Å; V581-L586 HydrophobicContact CG1-CG 3.93Å
582	N	89.7	Confident	91.5	Very high	42 Å²	42	49.3 Å²	49.3	23%	0.225	24%	0.24	C	C	.	.			trans	-80.3	102.7	179.9	-170.3	-31.1	0	0	0	109.9	C531 V533 R584 S585 L586	C531-N582 WeakPolarHBondContact O-CB 3.43Å; C531-N582 PolarHBondContact O-N 3.5Å; V533-N582 HydrophobicContact CG2-CB 3.88Å; N582-R584 PolarHBondContact O-N 2.9Å; N582-R584 VanDerWaalsContact O-N 3.14Å; N582-R584 WeakPolarHBondContact OD1-CB 3.18Å; N582-R584 PolarHBondContact OD1-N 3.39Å; N582-S585 PolarHBondContact O-N 3.18Å; N582-S585 VanDerWaalsContact O-N 3.17Å; N582-S585 PolarHBondContact OD1-N 2.84Å; N582-L586 PolarHBondContact O-N 3.43Å; N582-L586 VanDerWaalsContact O-N 3.16Å
583	Y	89.5	Confident	91.6	Very high	75 Å²	75	49.4 Å²	49.4	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-48.5	-39.9	176.2	176.5	-110.3	0	0	0	113.1	F566 E571 V581 L586 M587	F566-Y583 AromaticContact CE2-CD2 3.76Å; F566-Y583 HydrophobicContact CE2-CD2 3.76Å; F566-Y583 AromaticContact CE2-CE2 3.94Å; F566-Y583 HydrophobicContact CE2-CE2 3.94Å; F566-Y583 AromaticContact CZ-CD2 3.96Å; F566-Y583 HydrophobicContact CZ-CD2 3.96Å; F566-Y583 AromaticContact CZ-CE2 3.84Å; F566-Y583 HydrophobicContact CZ-CE2 3.84Å; E571-Y583 WeakPolarHBondContact O-CE2 3.27Å; V581-Y583 PolarHBondContact O-N 2.98Å; Y583-L586 PolarHBondContact O-N 2.91Å; Y583-M587 HydrophobicContact CD1-CG 4.25Å; Y583-M587 HydrophobicContact CD2-CG 4.13Å; Y583-M587 HydrophobicContact CE1-CG 3.77Å; Y583-M587 HydrophobicContact CE2-CG 3.6Å; Y583-M587 HydrophobicContact CE2-SD 3.89Å; Y583-M587 HydrophobicContact CG-CG 4.42Å; Y583-M587 VanDerWaalsContact CZ-CG 3.42Å; Y583-M587 WeakPolarHBondContact O-CG 3.15Å; Y583-M587 PolarHBondContact O-N 3.33Å
584	R	83	Confident	91.7	Very high	105 Å²	105	49 Å²	49	40%	0.396	23%	0.226	S	C	.	.	H	α-helix	trans	-72.5	-41.5	-176.2	-63.1	167.9	178	173.8	-1.3	112	P325 N582 L586 M587 S588	P325-R584 VanDerWaalsContact CD-CZ 3.45Å; P325-R584 VanDerWaalsContact CG-NH1 3.32Å; N582-R584 PolarHBondContact O-N 2.9Å; N582-R584 VanDerWaalsContact O-N 3.14Å; N582-R584 WeakPolarHBondContact OD1-CB 3.18Å; N582-R584 PolarHBondContact OD1-N 3.39Å; R584-L586 PolarHBondContact O-N 3.33Å; R584-M587 PolarHBondContact O-N 3.09Å; R584-S588 VanDerWaalsContact O-CB 3.28Å; R584-S588 WeakPolarHBondContact O-CB 3.28Å; R584-S588 PolarHBondContact O-N 3.37Å
585	S	88.3	Confident	91.6	Very high	5 Å²	5	45.7 Å²	45.7	4%	0.035	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-42.9	174	-63	0	0	0	0	110.2	P529 Q530 N582 S588 A589	P529-S585 WeakPolarHBondContact O-CB 3.46Å; P529-S585 PolarHBondContact O-OG 3.41Å; P529-S585 VanDerWaalsContact O-OG 3.04Å; Q530-S585 PolarHBondContact O-OG 2.88Å; N582-S585 PolarHBondContact O-N 3.18Å; N582-S585 VanDerWaalsContact O-N 3.17Å; N582-S585 PolarHBondContact OD1-N 2.84Å; S585-S588 PolarHBondContact O-N 3.46Å; S585-A589 WeakPolarHBondContact O-CB 3.39Å; S585-A589 PolarHBondContact O-N 3.17Å
586	L	93.6	Very high	91.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.3	-44.2	179.2	-67	172.7	0	0	0	113.5	M525 V562 F566 W575 V581 N582 Y583 R584 S588 A589 D590	M525-L586 HydrophobicContact CE-CD2 3.62Å; M525-L586 HydrophobicContact SD-CD2 3.73Å; V562-L586 HydrophobicContact CG1-CD1 4.49Å; V562-L586 HydrophobicContact CG1-CD2 3.85Å; F566-L586 HydrophobicContact CB-CD1 3.88Å; F566-L586 HydrophobicContact CB-CD2 4.47Å; F566-L586 HydrophobicContact CD1-CB 3.72Å; F566-L586 HydrophobicContact CD1-CD1 4.2Å; F566-L586 HydrophobicContact CD1-CG 4.4Å; F566-L586 HydrophobicContact CD2-CB 4.27Å; F566-L586 HydrophobicContact CD2-CD1 3.58Å; F566-L586 HydrophobicContact CE1-CB 3.64Å; F566-L586 HydrophobicContact CE2-CB 4.19Å; F566-L586 HydrophobicContact CE2-CD1 4.07Å; F566-L586 HydrophobicContact CG-CB 4.02Å; F566-L586 HydrophobicContact CG-CD1 3.62Å; F566-L586 HydrophobicContact CG-CG 4.28Å; F566-L586 HydrophobicContact CZ-CB 3.87Å; W575-L586 HydrophobicContact CZ3-CD1 4.2Å; V581-L586 HydrophobicContact CB-CD1 4.16Å; V581-L586 HydrophobicContact CG1-CD1 3.37Å; V581-L586 HydrophobicContact CG1-CD2 4.3Å; V581-L586 HydrophobicContact CG1-CG 3.93Å; N582-L586 PolarHBondContact O-N 3.43Å; N582-L586 VanDerWaalsContact O-N 3.16Å; Y583-L586 PolarHBondContact O-N 2.91Å; R584-L586 PolarHBondContact O-N 3.33Å; L586-S588 VanDerWaalsContact C-N 3.31Å; L586-S588 PolarHBondContact O-N 3.11Å; L586-A589 WeakPolarHBondContact O-CB 3.34Å; L586-A589 PolarHBondContact O-N 3.48Å; L586-D590 PolarHBondContact O-N 3.17Å
587	M	90.6	Very high	91.7	Very high	70 Å²	70	44.7 Å²	44.7	35%	0.345	21%	0.208	S	C	.	.	H	α-helix	trans	-61.9	-40.5	173.7	-73	-58.1	-62.8	0	0	111.8	F566 E571 Y583 R584 A589 D590 N591	F566-M587 HydrophobicContact CE1-SD 4.07Å; F566-M587 HydrophobicContact CZ-CG 4.15Å; F566-M587 HydrophobicContact CZ-SD 3.7Å; E571-M587 HydrophobicContact CB-SD 4.14Å; E571-M587 HydrophobicContact CG-SD 4.22Å; Y583-M587 HydrophobicContact CD1-CG 4.25Å; Y583-M587 HydrophobicContact CD2-CG 4.13Å; Y583-M587 HydrophobicContact CE1-CG 3.77Å; Y583-M587 HydrophobicContact CE2-CG 3.6Å; Y583-M587 HydrophobicContact CE2-SD 3.89Å; Y583-M587 HydrophobicContact CG-CG 4.42Å; Y583-M587 VanDerWaalsContact CZ-CG 3.42Å; Y583-M587 WeakPolarHBondContact O-CG 3.15Å; Y583-M587 PolarHBondContact O-N 3.33Å; R584-M587 PolarHBondContact O-N 3.09Å; M587-A589 VanDerWaalsContact C-N 3.34Å; M587-D590 PolarHBondContact O-N 3.01Å; M587-N591 PolarHBondContact O-N 2.86Å
588	S	86.6	Confident	91.9	Very high	48 Å²	48	43.2 Å²	43.2	34%	0.336	20%	0.201	S	C	.	.	H	α-helix	trans	-64.1	-40.4	174.2	-172.6	0	0	0	0	111.2	V528 R584 S585 L586 N591 V592	V528-S588 WeakPolarHBondContact CG1-OG 3.29Å; R584-S588 VanDerWaalsContact O-CB 3.28Å; R584-S588 WeakPolarHBondContact O-CB 3.28Å; R584-S588 PolarHBondContact O-N 3.37Å; S585-S588 PolarHBondContact O-N 3.46Å; L586-S588 VanDerWaalsContact C-N 3.31Å; L586-S588 PolarHBondContact O-N 3.11Å; S588-N591 PolarHBondContact O-N 2.88Å; S588-V592 VanDerWaalsContact O-CG2 3.27Å; S588-V592 WeakPolarHBondContact O-CG2 3.5Å; S588-V592 PolarHBondContact O-N 3.42Å
589	A	93.3	Very high	92	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-43.3	176.7	0	0	0	0	0	110.8	A524 M525 V528 Y563 S585 L586 M587 N591 V592 R593	A524-A589 HydrophobicContact CB-CB 4.35Å; A524-A589 WeakPolarHBondContact CB-O 3.03Å; M525-A589 HydrophobicContact CG-CB 4.42Å; M525-A589 HydrophobicContact SD-CB 3.64Å; V528-A589 HydrophobicContact CG1-CB 4.26Å; V528-A589 HydrophobicContact CG2-CB 4Å; Y563-A589 HydrophobicContact CE2-CB 4.48Å; S585-A589 WeakPolarHBondContact O-CB 3.39Å; S585-A589 PolarHBondContact O-N 3.17Å; L586-A589 WeakPolarHBondContact O-CB 3.34Å; L586-A589 PolarHBondContact O-N 3.48Å; M587-A589 VanDerWaalsContact C-N 3.34Å; A589-N591 PolarHBondContact O-N 3.21Å; A589-V592 PolarHBondContact O-N 3.37Å; A589-R593 WeakPolarHBondContact O-CB 3.33Å; A589-R593 PolarHBondContact O-N 3.16Å
590	D	94.3	Very high	92.1	Very high	14 Å²	14	39.6 Å²	39.6	8%	0.075	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-43.3	176.4	-170	28.7	0	0	0	111.6	Y563 K567 L586 M587 R593 Q594	Y563-D590 HydrophobicContact CE2-CB 4.26Å; Y563-D590 PolarHBondContact OH-OD1 3.34Å; K567-D590 IonicContact NZ-OD1 3.66Å; K567-D590 PolarHBondContact NZ-OD1 3.25Å; K567-D590 IonicContact NZ-OD2 2.75Å; K567-D590 PolarHBondContact NZ-OD2 2.84Å; L586-D590 PolarHBondContact O-N 3.17Å; M587-D590 PolarHBondContact O-N 3.01Å; D590-R593 WeakPolarHBondContact O-CB 3.47Å; D590-R593 PolarHBondContact O-N 3.04Å; D590-Q594 VanDerWaalsContact O-CG 3.28Å; D590-Q594 WeakPolarHBondContact O-CG 3.4Å; D590-Q594 PolarHBondContact O-N 3.32Å; D590-Q594 PolarHBondContact OD1-NE2 3.44Å; D590-Q594 PolarHBondContact OD2-NE2 2.8Å
591	N	89.1	Confident	92.2	Very high	61 Å²	61	40.9 Å²	40.9	33%	0.326	19%	0.191	S	C	.	.	H	α-helix	trans	-61.6	-45.8	174.1	-178.7	35.7	0	0	0	112.1	F155 M587 S588 A589 R593 Q594 Q595	F155-N591 PolarHBondContact O-ND2 2.94Å; M587-N591 PolarHBondContact O-N 2.86Å; S588-N591 PolarHBondContact O-N 2.88Å; A589-N591 PolarHBondContact O-N 3.21Å; N591-R593 VanDerWaalsContact C-N 3.34Å; N591-R593 PolarHBondContact O-N 2.86Å; N591-Q594 PolarHBondContact O-N 3.14Å; N591-Q595 PolarHBondContact ND2-NE2 2.87Å; N591-Q595 WeakPolarHBondContact O-CG 3.39Å; N591-Q595 PolarHBondContact O-N 2.87Å; N591-Q595 VanDerWaalsContact O-N 3.1Å; N591-Q595 PolarHBondContact OD1-NE2 3.42Å
592	V	91.6	Very high	92.2	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-57.8	-48.5	175	170.8	0	0	0	0	110.2	F155 A524 V528 S588 A589 Q594 Q595 L596	F155-V592 HydrophobicContact CB-CG2 4.42Å; F155-V592 HydrophobicContact CD1-CG2 4.18Å; F155-V592 HydrophobicContact CD2-CG2 3.6Å; F155-V592 HydrophobicContact CE1-CG1 4.02Å; F155-V592 HydrophobicContact CE1-CG2 4.3Å; F155-V592 HydrophobicContact CE2-CG1 4.31Å; F155-V592 HydrophobicContact CE2-CG2 3.74Å; F155-V592 HydrophobicContact CG-CG2 3.84Å; F155-V592 HydrophobicContact CZ-CG1 3.89Å; F155-V592 HydrophobicContact CZ-CG2 4.09Å; A524-V592 HydrophobicContact CB-CB 4.25Å; A524-V592 HydrophobicContact CB-CG1 4.05Å; V528-V592 HydrophobicContact CG1-CG2 4.33Å; S588-V592 VanDerWaalsContact O-CG2 3.27Å; S588-V592 WeakPolarHBondContact O-CG2 3.5Å; S588-V592 PolarHBondContact O-N 3.42Å; A589-V592 PolarHBondContact O-N 3.37Å; V592-Q594 VanDerWaalsContact C-N 3.35Å; V592-Q594 PolarHBondContact O-N 3Å; V592-Q595 PolarHBondContact O-N 3.49Å; V592-Q595 VanDerWaalsContact O-N 3.13Å; V592-L596 HydrophobicContact CG1-CD1 3.71Å; V592-L596 HydrophobicContact CG1-CG 4.09Å; V592-L596 VanDerWaalsContact O-CG 3.3Å; V592-L596 WeakPolarHBondContact O-CG 3.49Å; V592-L596 PolarHBondContact O-N 3.28Å
593	R	96.6	Very high	92.4	Very high	46 Å²	46	49.9 Å²	49.9	17%	0.174	22%	0.223	C	C	.	.	H	α-helix	trans	-57.7	-45.7	179.7	-166.2	-169.6	176.2	-84.4	-4.9	111.8	N517 L520 S521 A524 Y563 A589 D590 N591 Q595 L596 S597	N517-R593 PolarHBondContact O-NH2 3.17Å; L520-R593 HydrophobicContact CD2-CG 3.97Å; L520-R593 HydrophobicContact CG-CG 3.82Å; S521-R593 PolarHBondContact OG-NE 3.3Å; A524-R593 HydrophobicContact CB-CB 3.74Å; A524-R593 HydrophobicContact CB-CG 4.37Å; Y563-R593 WeakPolarHBondContact OH-CD 3.27Å; A589-R593 WeakPolarHBondContact O-CB 3.33Å; A589-R593 PolarHBondContact O-N 3.16Å; D590-R593 WeakPolarHBondContact O-CB 3.47Å; D590-R593 PolarHBondContact O-N 3.04Å; N591-R593 VanDerWaalsContact C-N 3.34Å; N591-R593 PolarHBondContact O-N 2.86Å; R593-Q595 VanDerWaalsContact C-N 3.29Å; R593-Q595 PolarHBondContact O-N 2.82Å; R593-L596 PolarHBondContact O-N 2.9Å; R593-S597 WeakPolarHBondContact O-CB 3.33Å; R593-S597 PolarHBondContact O-N 3.01Å; R593-S597 PolarHBondContact O-OG 3.46Å
594	Q	94.4	Very high	92.7	Very high	76 Å²	76	51.3 Å²	51.3	36%	0.355	24%	0.244	S	C	.	.	H	α-helix	trans	-64	-33.1	178.3	-71.8	173.5	29.3	0	0	112.7	D590 N591 V592 S597 R598	D590-Q594 VanDerWaalsContact O-CG 3.28Å; D590-Q594 WeakPolarHBondContact O-CG 3.4Å; D590-Q594 PolarHBondContact O-N 3.32Å; D590-Q594 PolarHBondContact OD1-NE2 3.44Å; D590-Q594 PolarHBondContact OD2-NE2 2.8Å; N591-Q594 PolarHBondContact O-N 3.14Å; V592-Q594 VanDerWaalsContact C-N 3.35Å; V592-Q594 PolarHBondContact O-N 3Å; Q594-S597 WeakPolarHBondContact CA-OG 3.31Å; Q594-S597 PolarHBondContact O-OG 3.34Å; Q594-R598 WeakPolarHBondContact O-CG 3.4Å; Q594-R598 PolarHBondContact O-N 2.87Å
595	Q	90.9	Very high	93.3	Very high	44 Å²	44	47.4 Å²	47.4	21%	0.206	23%	0.231	C	C	.	.	H	α-helix	trans	-77.1	-43.5	177.3	-68.7	-176.8	30.4	0	0	112	F155 N591 V592 R593 S597 R598 I599	F155-Q595 HydrophobicContact CD1-CB 4.44Å; F155-Q595 PolarHBondContact O-NE2 3.34Å; N591-Q595 PolarHBondContact ND2-NE2 2.87Å; N591-Q595 WeakPolarHBondContact O-CG 3.39Å; N591-Q595 PolarHBondContact O-N 2.87Å; N591-Q595 VanDerWaalsContact O-N 3.1Å; N591-Q595 PolarHBondContact OD1-NE2 3.42Å; V592-Q595 PolarHBondContact O-N 3.49Å; V592-Q595 VanDerWaalsContact O-N 3.13Å; R593-Q595 VanDerWaalsContact C-N 3.29Å; R593-Q595 PolarHBondContact O-N 2.82Å; Q595-S597 VanDerWaalsContact C-N 3.26Å; Q595-S597 PolarHBondContact O-N 2.94Å; Q595-R598 WeakPolarHBondContact O-CB 3.48Å; Q595-R598 PolarHBondContact O-N 2.91Å; Q595-R598 VanDerWaalsContact O-N 3.13Å; Q595-I599 PolarHBondContact O-N 2.79Å
596	L	94.9	Very high	93.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.6	-37.6	173.6	-63	176.5	0	0	0	110.9	F497 P498 L499 L520 T523 V592 R593 R598 I599 M600	F497-L596 HydrophobicContact CD1-CD2 3.96Å; P498-L596 HydrophobicContact CG-CD2 4.3Å; L499-L596 HydrophobicContact CD1-CD1 4.17Å; L499-L596 HydrophobicContact CD1-CD2 3.88Å; L499-L596 HydrophobicContact CD2-CD1 4.38Å; L499-L596 HydrophobicContact CD2-CD2 4.36Å; L499-L596 HydrophobicContact CG-CD2 4.04Å; L520-L596 HydrophobicContact CD1-CB 3.46Å; L520-L596 VanDerWaalsContact CD1-CB 3.46Å; L520-L596 HydrophobicContact CD1-CD1 4.11Å; L520-L596 HydrophobicContact CD1-CG 4.45Å; T523-L596 HydrophobicContact CG2-CD1 4Å; V592-L596 HydrophobicContact CG1-CD1 3.71Å; V592-L596 HydrophobicContact CG1-CG 4.09Å; V592-L596 VanDerWaalsContact O-CG 3.3Å; V592-L596 WeakPolarHBondContact O-CG 3.49Å; V592-L596 PolarHBondContact O-N 3.28Å; R593-L596 PolarHBondContact O-N 2.9Å; L596-R598 VanDerWaalsContact C-N 3.33Å; L596-R598 PolarHBondContact O-N 2.87Å; L596-I599 PolarHBondContact O-N 3.22Å; L596-I599 VanDerWaalsContact O-N 3.16Å; L596-M600 WeakPolarHBondContact O-CG 3.31Å; L596-M600 PolarHBondContact O-N 2.98Å
597	S	95.9	Very high	93.7	Very high	13 Å²	13	55.6 Å²	55.6	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-37.2	174.9	65.8	0	0	0	0	112.8	R593 Q594 Q595 I599 M600 D601	R593-S597 WeakPolarHBondContact O-CB 3.33Å; R593-S597 PolarHBondContact O-N 3.01Å; R593-S597 PolarHBondContact O-OG 3.46Å; Q594-S597 WeakPolarHBondContact CA-OG 3.31Å; Q594-S597 PolarHBondContact O-OG 3.34Å; Q595-S597 VanDerWaalsContact C-N 3.26Å; Q595-S597 PolarHBondContact O-N 2.94Å; S597-I599 VanDerWaalsContact C-N 3.29Å; S597-I599 PolarHBondContact O-N 2.77Å; S597-M600 WeakPolarHBondContact O-CB 3.36Å; S597-M600 PolarHBondContact O-N 3.41Å; S597-D601 PolarHBondContact O-N 3.06Å
598	R	94.8	Very high	93.8	Very high	153 Å²	153	54.2 Å²	54.2	58%	0.577	26%	0.263	S	S	*	.	H	α-helix	trans	-65	-34.9	175.2	-68.3	170.3	-162.9	171.5	5.7	112	Q594 Q595 L596 R602	Q594-R598 WeakPolarHBondContact O-CG 3.4Å; Q594-R598 PolarHBondContact O-N 2.87Å; Q595-R598 WeakPolarHBondContact O-CB 3.48Å; Q595-R598 PolarHBondContact O-N 2.91Å; Q595-R598 VanDerWaalsContact O-N 3.13Å; L596-R598 VanDerWaalsContact C-N 3.33Å; L596-R598 PolarHBondContact O-N 2.87Å; R598-R602 WeakPolarHBondContact O-CB 3.44Å; R598-R602 PolarHBondContact O-N 3.22Å
599	I	93.8	Very high	94.1	Very high	23 Å²	23	54.9 Å²	54.9	12%	0.118	27%	0.268	C	S	.	.	H	α-helix	trans	-68.6	-44.4	174.8	-60.6	171.6	0	0	0	109.6	F497 P498 Q595 L596 S597 D601 R602 F603	F497-I599 HydrophobicContact CD1-CB 4.4Å; F497-I599 HydrophobicContact CD1-CD1 4.47Å; F497-I599 HydrophobicContact CD1-CG2 3.96Å; F497-I599 HydrophobicContact CD2-CG2 4.24Å; F497-I599 HydrophobicContact CE1-CB 3.98Å; F497-I599 HydrophobicContact CE1-CG2 3.63Å; F497-I599 HydrophobicContact CE2-CG2 3.92Å; F497-I599 HydrophobicContact CG-CG2 4.26Å; F497-I599 HydrophobicContact CZ-CB 4.34Å; F497-I599 HydrophobicContact CZ-CG2 3.61Å; P498-I599 HydrophobicContact CG-CD1 4.36Å; Q595-I599 PolarHBondContact O-N 2.79Å; L596-I599 PolarHBondContact O-N 3.22Å; L596-I599 VanDerWaalsContact O-N 3.16Å; S597-I599 VanDerWaalsContact C-N 3.29Å; S597-I599 PolarHBondContact O-N 2.77Å; I599-D601 PolarHBondContact O-N 2.64Å; I599-R602 WeakPolarHBondContact O-CB 3.3Å; I599-R602 PolarHBondContact O-N 3.04Å; I599-F603 HydrophobicContact CG2-CD2 3.81Å; I599-F603 HydrophobicContact CG2-CE2 3.78Å; I599-F603 VanDerWaalsContact O-CD2 3.29Å; I599-F603 WeakPolarHBondContact O-CD2 3.28Å; I599-F603 PolarHBondContact O-N 3.4Å; I599-F603 VanDerWaalsContact O-N 3.09Å
600	M	95.9	Very high	93.8	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.2	-47.4	173.8	-69.9	-178.8	75.1	0	0	111.8	F497 V507 L520 L596 S597 R602 F603 S604 L605 R607	F497-M600 HydrophobicContact CE1-CG 4.16Å; F497-M600 HydrophobicContact CZ-CG 4.17Å; V507-M600 HydrophobicContact CG1-CE 4.43Å; V507-M600 HydrophobicContact CG1-CG 4.24Å; V507-M600 HydrophobicContact CG1-SD 3.93Å; L520-M600 HydrophobicContact CD1-SD 3.68Å; L520-M600 HydrophobicContact CD2-SD 3.93Å; L520-M600 HydrophobicContact CG-SD 4.29Å; L596-M600 WeakPolarHBondContact O-CG 3.31Å; L596-M600 PolarHBondContact O-N 2.98Å; S597-M600 WeakPolarHBondContact O-CB 3.36Å; S597-M600 PolarHBondContact O-N 3.41Å; M600-R602 VanDerWaalsContact C-N 3.31Å; M600-R602 PolarHBondContact O-N 3.32Å; M600-F603 CarbonylContact O-C 3.49Å; M600-F603 PolarHBondContact O-N 3.41Å; M600-S604 PolarHBondContact O-N 2.99Å; M600-L605 HydrophobicContact CB-CB 4.04Å; M600-L605 HydrophobicContact CE-CB 4.08Å; M600-L605 HydrophobicContact CG-CB 4.38Å; M600-L605 HydrophobicContact CG-CD1 4.27Å; M600-L605 PolarHBondContact O-N 2.99Å; M600-R607 HydrophobicContact CE-CG 3.97Å; M600-R607 HydrophobicContact SD-CG 4.32Å
601	D	95.4	Very high	93.6	Very high	75 Å²	75	60.3 Å²	60.3	40%	0.401	30%	0.303	S	S	.	.	H	α-helix	trans	-61.2	-39.4	177.9	-66.1	-29	0	0	0	111.3	S597 I599 F603 S604 R607	S597-D601 PolarHBondContact O-N 3.06Å; I599-D601 PolarHBondContact O-N 2.64Å; D601-F603 VanDerWaalsContact C-N 3.34Å; D601-F603 PolarHBondContact O-N 3.43Å; D601-S604 PolarHBondContact O-N 3.46Å; D601-S604 VanDerWaalsContact O-N 3.11Å; D601-R607 VanDerWaalsContact CG-NH2 3.35Å; D601-R607 IonicContact OD1-CZ 3.74Å; D601-R607 IonicContact OD1-NE 3.49Å; D601-R607 PolarHBondContact OD1-NE 2.89Å; D601-R607 IonicContact OD1-NH2 2.64Å; D601-R607 PolarHBondContact OD1-NH2 2.74Å; D601-R607 IonicContact OD2-CZ 2.78Å; D601-R607 IonicContact OD2-NH2 2.65Å; D601-R607 PolarHBondContact OD2-NH2 3.26Å; D601-R607 VanDerWaalsContact OD2-NH2 3.09Å
602	R	94.5	Very high	93.6	Very high	172 Å²	172	63.2 Å²	63.2	65%	0.649	31%	0.313	S	S	*	.	H	α-helix	trans	-61.2	-39.6	175.9	-175.7	-172.4	-61.8	178.9	-0.8	112.6	R598 I599 M600 S604	R598-R602 WeakPolarHBondContact O-CB 3.44Å; R598-R602 PolarHBondContact O-N 3.22Å; I599-R602 WeakPolarHBondContact O-CB 3.3Å; I599-R602 PolarHBondContact O-N 3.04Å; M600-R602 VanDerWaalsContact C-N 3.31Å; M600-R602 PolarHBondContact O-N 3.32Å; R602-S604 VanDerWaalsContact C-N 3.28Å
603	F	94.3	Very high	93.5	Very high	66 Å²	66	69.9 Å²	69.9	29%	0.289	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	8.1	176.8	-70.3	-66.9	0	0	0	113.4	M493 E496 I599 M600 D601 L605	M493-F603 HydrophobicContact CE-CB 4.39Å; M493-F603 HydrophobicContact CE-CD1 4.45Å; M493-F603 HydrophobicContact CG-CB 4.47Å; M493-F603 HydrophobicContact CG-CD1 4.17Å; M493-F603 HydrophobicContact CG-CD2 4.17Å; M493-F603 HydrophobicContact CG-CG 4Å; M493-F603 HydrophobicContact SD-CB 4.27Å; M493-F603 HydrophobicContact SD-CG 4.42Å; E496-F603 HydrophobicContact CB-CE2 3.69Å; E496-F603 HydrophobicContact CB-CZ 3.84Å; E496-F603 HydrophobicContact CG-CE2 4.04Å; E496-F603 HydrophobicContact CG-CZ 3.62Å; I599-F603 HydrophobicContact CG2-CD2 3.81Å; I599-F603 HydrophobicContact CG2-CE2 3.78Å; I599-F603 VanDerWaalsContact O-CD2 3.29Å; I599-F603 WeakPolarHBondContact O-CD2 3.28Å; I599-F603 PolarHBondContact O-N 3.4Å; I599-F603 VanDerWaalsContact O-N 3.09Å; M600-F603 CarbonylContact O-C 3.49Å; M600-F603 PolarHBondContact O-N 3.41Å; D601-F603 VanDerWaalsContact C-N 3.34Å; D601-F603 PolarHBondContact O-N 3.43Å; F603-L605 HydrophobicContact CB-CD1 4.38Å; F603-L605 HydrophobicContact CB-CG 4.06Å; F603-L605 PolarHBondContact O-N 2.99Å
604	S	95.4	Very high	93.3	Very high	106 Å²	106	69.9 Å²	69.9	74%	0.741	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	31.6	-177	-54.9	0	0	0	0	113.7	M600 D601 R602	M600-S604 PolarHBondContact O-N 2.99Å; D601-S604 PolarHBondContact O-N 3.46Å; D601-S604 VanDerWaalsContact O-N 3.11Å; R602-S604 VanDerWaalsContact C-N 3.28Å
605	L	95.3	Very high	93	Very high	23 Å²	23	77 Å²	77	12%	0.12	38%	0.379	C	S	.	.			trans	-78.1	124.3	174.9	-64.2	177.8	0	0	0	109.6	M493 F497 I508 M600 F603	M493-L605 HydrophobicContact CE-CD2 4.49Å; M493-L605 HydrophobicContact SD-CD1 3.9Å; M493-L605 HydrophobicContact SD-CD2 3.94Å; M493-L605 HydrophobicContact SD-CG 4.24Å; F497-L605 HydrophobicContact CE2-CD1 4.44Å; F497-L605 HydrophobicContact CZ-CD1 4.04Å; I508-L605 HydrophobicContact CG1-CD1 4.04Å; I508-L605 HydrophobicContact CG2-CD2 4.43Å; M600-L605 HydrophobicContact CB-CB 4.04Å; M600-L605 HydrophobicContact CE-CB 4.08Å; M600-L605 HydrophobicContact CG-CB 4.38Å; M600-L605 HydrophobicContact CG-CD1 4.27Å; M600-L605 PolarHBondContact O-N 2.99Å; F603-L605 HydrophobicContact CB-CD1 4.38Å; F603-L605 HydrophobicContact CB-CG 4.06Å; F603-L605 PolarHBondContact O-N 2.99Å
606	P	95.1	Very high	93	Very high	67 Å²	67	78.6 Å²	78.6	44%	0.435	39%	0.389	S	S	.	.			trans	-73.2	143.1	-173.7	35.2	-39.4	0	0	0	110.7	C511 S516 N608	C511-P606 HydrophobicContact CB-CG 4.05Å; S516-P606 PolarHBondContact OG-O 2.85Å; P606-N608 WeakPolarHBondContact CB-OD1 3.38Å; P606-N608 WeakPolarHBondContact CG-OD1 3.39Å; P606-N608 PolarHBondContact O-OD1 3.42Å; P606-N608 VanDerWaalsContact O-OD1 3.06Å
607	R	94.6	Very high	93	Very high	110 Å²	110	79.1 Å²	79.1	42%	0.415	39%	0.391	S	S	.	.			trans	-104.9	91.1	178.5	-71.4	-175.7	-72.3	150.7	-4.3	109.7	S516 N517 M600 D601	S516-R607 WeakPolarHBondContact OG-CA 3.23Å; N517-R607 VanDerWaalsContact ND2-C 3.3Å; N517-R607 PolarHBondContact ND2-O 2.83Å; N517-R607 VanDerWaalsContact ND2-O 3.08Å; M600-R607 HydrophobicContact CE-CG 3.97Å; M600-R607 HydrophobicContact SD-CG 4.32Å; D601-R607 VanDerWaalsContact CG-NH2 3.35Å; D601-R607 IonicContact OD1-CZ 3.74Å; D601-R607 IonicContact OD1-NE 3.49Å; D601-R607 PolarHBondContact OD1-NE 2.89Å; D601-R607 IonicContact OD1-NH2 2.64Å; D601-R607 PolarHBondContact OD1-NH2 2.74Å; D601-R607 IonicContact OD2-CZ 2.78Å; D601-R607 IonicContact OD2-NH2 2.65Å; D601-R607 PolarHBondContact OD2-NH2 3.26Å; D601-R607 VanDerWaalsContact OD2-NH2 3.09Å
608	N	92.9	Very high	92.9	Very high	40 Å²	40	81 Å²	81	21%	0.214	40%	0.396	C	S	.	.			trans	-109.4	152.7	-168.9	-34.2	17.5	0	0	0	108.8	N514 S516 N517 P606	N514-N608 HydrophobicContact CB-CB 4.46Å; N514-N608 PolarHBondContact OD1-ND2 3.31Å; S516-N608 PolarHBondContact N-O 3.4Å; S516-N608 PolarHBondContact OG-N 3.09Å; N517-N608 WeakPolarHBondContact CB-O 3.45Å; N517-N608 PolarHBondContact N-O 2.92Å; N517-N608 PolarHBondContact ND2-O 2.98Å; P606-N608 WeakPolarHBondContact CB-OD1 3.38Å; P606-N608 WeakPolarHBondContact CG-OD1 3.39Å; P606-N608 PolarHBondContact O-OD1 3.42Å; P606-N608 VanDerWaalsContact O-OD1 3.06Å
609	S	93.1	Very high	92.9	Very high	63 Å²	63	75.7 Å²	75.7	44%	0.441	38%	0.379	S	S	.	.			trans	-139	132.9	167.4	-179.9	0	0	0	0	107.1	N514 E518	N514-S609 CarbonylContact O-C 3.45Å; N514-S609 WeakPolarHBondContact O-CA 3.44Å; E518-S609 WeakPolarHBondContact OE1-CB 3.46Å; E518-S609 PolarHBondContact OE1-OG 2.86Å
610	G	86.8	Confident	93	Very high	24 Å²	24	76.2 Å²	76.2	25%	0.247	38%	0.383	C	S	.	.			trans	-69.4	167.5	173.7	0	0	0	0	0	111.5	N514 F612	N514-G610 PolarHBondContact O-N 3.19Å; G610-F612 PolarHBondContact O-N 3.43Å
611	D	90.1	Very high	93.1	Very high	103 Å²	103	76.2 Å²	76.2	55%	0.551	38%	0.383	S	S	*	.			trans	-63.2	120.8	170.9	179.9	8.2	0	0	0	109.7	N613 S614	D611-N613 PolarHBondContact O-N 3.09Å; D611-N613 PolarHBondContact OD1-N 2.92Å; D611-S614 VanDerWaalsContact O-CB 3.22Å; D611-S614 WeakPolarHBondContact O-CB 3.4Å; D611-S614 PolarHBondContact O-N 3.31Å
612	F	89.3	Confident	93.1	Very high	122 Å²	122	73.6 Å²	73.6	54%	0.535	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-31	178.7	-179.7	-98.8	0	0	0	112.7	G610 S614 Y617 Y618	G610-F612 PolarHBondContact O-N 3.43Å; F612-S614 VanDerWaalsContact C-N 3.27Å; F612-S614 PolarHBondContact O-N 3.48Å; F612-Y617 HydrophobicContact CD2-CD1 4Å; F612-Y617 AromaticContact CD2-CE1 3.75Å; F612-Y617 HydrophobicContact CD2-CE1 3.75Å; F612-Y617 HydrophobicContact CD2-CG 4.48Å; F612-Y617 HydrophobicContact CE2-CD1 4.46Å; F612-Y617 HydrophobicContact CE2-CE1 4.17Å; F612-Y618 HydrophobicContact CE2-CE2 4.38Å; F612-Y618 WeakPolarHBondContact CE2-OH 3.41Å
613	N	89.8	Confident	93.2	Very high	142 Å²	142	67.2 Å²	67.2	76%	0.759	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.8	178.4	-61.5	-53.3	0	0	0	113	D611	D611-N613 PolarHBondContact O-N 3.09Å; D611-N613 PolarHBondContact OD1-N 2.92Å
614	S	92.6	Very high	93.4	Very high	45 Å²	45	64.1 Å²	64.1	32%	0.315	33%	0.331	S	S	.	.	S	Bend	trans	-71.9	139.8	175	-177.7	0	0	0	0	110.4	D611 F612 D616 Y617	D611-S614 VanDerWaalsContact O-CB 3.22Å; D611-S614 WeakPolarHBondContact O-CB 3.4Å; D611-S614 PolarHBondContact O-N 3.31Å; F612-S614 VanDerWaalsContact C-N 3.27Å; F612-S614 PolarHBondContact O-N 3.48Å; S614-D616 PolarHBondContact O-N 2.88Å; S614-D616 VanDerWaalsContact O-N 3.11Å; S614-D616 PolarHBondContact OG-N 3.37Å; S614-D616 VanDerWaalsContact OG-N 3.12Å; S614-Y617 WeakPolarHBondContact O-CB 3.43Å; S614-Y617 PolarHBondContact O-N 3.08Å; S614-Y617 VanDerWaalsContact O-N 3.15Å
615	R	87.9	Confident	93.5	Very high	226 Å²	226	59 Å²	59	85%	0.853	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.9	169.1	-175.5	179.4	-179.8	-179	2.6	112	Y617	R615-Y617 VanDerWaalsContact C-N 3.32Å; R615-Y617 PolarHBondContact O-N 3.12Å
616	D	91.5	Very high	93.6	Very high	78 Å²	78	58 Å²	58	42%	0.417	29%	0.29	S	S	.	.	H	α-helix	trans	-80.7	-11.2	-175.3	-58.3	-34.3	0	0	0	113	S614 L619 N620	S614-D616 PolarHBondContact O-N 2.88Å; S614-D616 VanDerWaalsContact O-N 3.11Å; S614-D616 PolarHBondContact OG-N 3.37Å; S614-D616 VanDerWaalsContact OG-N 3.12Å; D616-L619 WeakPolarHBondContact O-CB 3.32Å; D616-L619 PolarHBondContact O-N 2.93Å; D616-N620 VanDerWaalsContact O-CB 3.28Å; D616-N620 WeakPolarHBondContact O-CB 3.47Å; D616-N620 PolarHBondContact O-N 2.65Å; D616-N620 PolarHBondContact O-ND2 3.48Å; D616-N620 PolarHBondContact O-OD1 2.94Å
617	Y	93.8	Very high	93.7	Very high	11 Å²	11	55.2 Å²	55.2	4%	0.043	27%	0.272	C	S	.	.	H	α-helix	trans	-55.4	-61.3	-177.5	-176.7	-98.6	0	0	0	112.2	E518 F612 S614 R615 L619 N620 I621	E518-Y617 VanDerWaalsContact CD-OH 3.23Å; E518-Y617 HydrophobicContact CG-CE2 4.29Å; E518-Y617 WeakPolarHBondContact CG-OH 3.27Å; E518-Y617 PolarHBondContact OE1-OH 3.31Å; F612-Y617 HydrophobicContact CD2-CD1 4Å; F612-Y617 AromaticContact CD2-CE1 3.75Å; F612-Y617 HydrophobicContact CD2-CE1 3.75Å; F612-Y617 HydrophobicContact CD2-CG 4.48Å; F612-Y617 HydrophobicContact CE2-CD1 4.46Å; F612-Y617 HydrophobicContact CE2-CE1 4.17Å; S614-Y617 WeakPolarHBondContact O-CB 3.43Å; S614-Y617 PolarHBondContact O-N 3.08Å; S614-Y617 VanDerWaalsContact O-N 3.15Å; R615-Y617 VanDerWaalsContact C-N 3.32Å; R615-Y617 PolarHBondContact O-N 3.12Å; Y617-L619 VanDerWaalsContact C-N 3.32Å; Y617-L619 PolarHBondContact O-N 2.91Å; Y617-N620 PolarHBondContact O-N 3.17Å; Y617-I621 HydrophobicContact CD1-CD1 4.04Å; Y617-I621 HydrophobicContact CE1-CD1 3.74Å; Y617-I621 WeakPolarHBondContact O-CG1 3.41Å; Y617-I621 PolarHBondContact O-N 3.33Å
618	Y	94.6	Very high	93.7	Very high	51 Å²	51	50 Å²	50	20%	0.2	25%	0.252	C	S	.	.	H	α-helix	trans	-71.2	-28.4	178.4	-68.4	-68.7	0	0	0	113	H551 M557 F612 I621 R622	H551-Y618 AromaticContact CD2-CE1 3.66Å; H551-Y618 AromaticContact CD2-CZ 3.8Å; H551-Y618 AromaticContact CE1-CD1 3.93Å; H551-Y618 AromaticContact NE2-CD1 3.43Å; H551-Y618 WeakPolarHBondContact NE2-CD1 3.49Å; H551-Y618 AromaticContact NE2-CD2 3.74Å; H551-Y618 AromaticContact NE2-CE1 3.33Å; H551-Y618 VanDerWaalsContact NE2-CE1 3.33Å; H551-Y618 WeakPolarHBondContact NE2-CE1 3.24Å; H551-Y618 AromaticContact NE2-CE2 3.65Å; H551-Y618 AromaticContact NE2-CG 3.62Å; H551-Y618 AromaticContact NE2-CZ 3.43Å; M557-Y618 HydrophobicContact CG-CD1 4.14Å; M557-Y618 HydrophobicContact SD-CD1 3.99Å; F612-Y618 HydrophobicContact CE2-CE2 4.38Å; F612-Y618 WeakPolarHBondContact CE2-OH 3.41Å; Y618-I621 HydrophobicContact CD1-CD1 4.28Å; Y618-R622 WeakPolarHBondContact O-CD 3.41Å; Y618-R622 VanDerWaalsContact O-CG 3.23Å; Y618-R622 WeakPolarHBondContact O-CG 3.37Å; Y618-R622 PolarHBondContact O-N 3.44Å
619	L	94.8	Very high	93.9	Very high	43 Å²	43	48.3 Å²	48.3	23%	0.225	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-49.6	176	-171.3	77	0	0	0	110.9	D616 Y617 I621 R622 Q623 W689	D616-L619 WeakPolarHBondContact O-CB 3.32Å; D616-L619 PolarHBondContact O-N 2.93Å; Y617-L619 VanDerWaalsContact C-N 3.32Å; Y617-L619 PolarHBondContact O-N 2.91Å; L619-I621 PolarHBondContact O-N 3.49Å; L619-R622 PolarHBondContact O-N 2.78Å; L619-Q623 WeakPolarHBondContact O-CG 3.41Å; L619-Q623 PolarHBondContact O-N 3.19Å; L619-W689 HydrophobicContact CD1-CH2 3.8Å; L619-W689 HydrophobicContact CD1-CZ2 3.29Å; L619-W689 HydrophobicContact CG-CZ2 4.3Å
620	N	95.8	Very high	94.1	Very high	34 Å²	34	45.6 Å²	45.6	18%	0.182	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-42.4	-178.8	-71.6	-4.7	0	0	0	111.2	F513 C515 D616 Y617 R622 Q623 A624	F513-N620 HydrophobicContact CB-CB 4.31Å; F513-N620 WeakPolarHBondContact O-CB 3.49Å; F513-N620 PolarHBondContact O-ND2 3.48Å; F513-N620 VanDerWaalsContact O-ND2 3.15Å; C515-N620 HydrophobicContact CB-CB 4.39Å; D616-N620 VanDerWaalsContact O-CB 3.28Å; D616-N620 WeakPolarHBondContact O-CB 3.47Å; D616-N620 PolarHBondContact O-N 2.65Å; D616-N620 PolarHBondContact O-ND2 3.48Å; D616-N620 PolarHBondContact O-OD1 2.94Å; Y617-N620 PolarHBondContact O-N 3.17Å; N620-R622 PolarHBondContact O-N 2.96Å; N620-Q623 PolarHBondContact O-N 3.05Å; N620-A624 WeakPolarHBondContact O-CB 3.33Å; N620-A624 PolarHBondContact O-N 3.46Å
621	I	96.8	Very high	94.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-46.3	176.9	-55.2	163.3	0	0	0	110	C515 E518 I519 I522 M557 L560 Y617 Y618 L619 Q623 A624 L625	C515-I621 HydrophobicContact CB-CG1 3.76Å; E518-I621 HydrophobicContact CB-CD1 3.89Å; E518-I621 HydrophobicContact CB-CG1 4.05Å; E518-I621 HydrophobicContact CG-CD1 3.81Å; E518-I621 HydrophobicContact CG-CG1 4.35Å; I519-I621 HydrophobicContact CD1-CG2 3.74Å; I519-I621 HydrophobicContact CG1-CG2 4.35Å; I522-I621 HydrophobicContact CD1-CG2 3.61Å; M557-I621 HydrophobicContact CE-CB 4.37Å; M557-I621 HydrophobicContact CE-CG2 3.49Å; M557-I621 VanDerWaalsContact CE-CG2 3.49Å; M557-I621 HydrophobicContact SD-CB 4.01Å; M557-I621 HydrophobicContact SD-CD1 4.15Å; M557-I621 HydrophobicContact SD-CG2 3.65Å; L560-I621 HydrophobicContact CD2-CD1 3.97Å; Y617-I621 HydrophobicContact CD1-CD1 4.04Å; Y617-I621 HydrophobicContact CE1-CD1 3.74Å; Y617-I621 WeakPolarHBondContact O-CG1 3.41Å; Y617-I621 PolarHBondContact O-N 3.33Å; Y618-I621 HydrophobicContact CD1-CD1 4.28Å; L619-I621 PolarHBondContact O-N 3.49Å; I621-Q623 VanDerWaalsContact C-N 3.33Å; I621-Q623 PolarHBondContact O-N 3.12Å; I621-A624 WeakPolarHBondContact O-CB 3.33Å; I621-A624 PolarHBondContact O-N 3.3Å; I621-L625 WeakPolarHBondContact O-CG 3.12Å; I621-L625 PolarHBondContact O-N 3.32Å
622	R	96.9	Very high	94.7	Very high	19 Å²	19	42.4 Å²	42.4	7%	0.072	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-38.3	178.5	-69.4	164.7	61.7	-173.4	-2.1	112.3	D553 Y618 L619 N620 L625 V626 T683 D684 W689	D553-R622 IonicContact OD1-CZ 2.94Å; D553-R622 IonicContact OD1-NH1 3.95Å; D553-R622 PolarHBondContact OD1-NH1 3.25Å; D553-R622 VanDerWaalsContact OD1-NH1 3.12Å; D553-R622 WeakPolarHBondContact OD2-CD 3.37Å; D553-R622 IonicContact OD2-CZ 3.54Å; D553-R622 IonicContact OD2-NE 2.71Å; D553-R622 IonicContact OD2-NH1 3.7Å; D553-R622 PolarHBondContact OD2-NH1 3.04Å; Y618-R622 WeakPolarHBondContact O-CD 3.41Å; Y618-R622 VanDerWaalsContact O-CG 3.23Å; Y618-R622 WeakPolarHBondContact O-CG 3.37Å; Y618-R622 PolarHBondContact O-N 3.44Å; L619-R622 PolarHBondContact O-N 2.78Å; N620-R622 PolarHBondContact O-N 2.96Å; R622-L625 WeakPolarHBondContact O-CB 3.5Å; R622-L625 PolarHBondContact O-N 3.08Å; R622-V626 PolarHBondContact O-N 3.14Å; R622-T683 HydrophobicContact CG-CG2 3.97Å; R622-D684 IonicContact CZ-OD1 3.25Å; R622-D684 PolarHBondContact NE-O 2.99Å; R622-D684 PolarHBondContact NH2-O 3.49Å; R622-D684 IonicContact NH2-OD1 2.79Å; R622-D684 PolarHBondContact NH2-OD1 3.02Å; R622-W689 HydrophobicContact CB-CH2 4.17Å; R622-W689 HydrophobicContact CB-CZ3 3.75Å
623	Q	96.6	Very high	95.1	Very high	39 Å²	39	36.6 Å²	36.6	18%	0.182	17%	0.173	C	C	.	.	H	α-helix	trans	-65.8	-41.7	173.3	-73.1	179.5	-32.7	0	0	111.9	F513 L619 N620 I621 L625 V626 W689 I693	F513-Q623 HydrophobicContact CD1-CB 3.77Å; F513-Q623 HydrophobicContact CE1-CB 3.62Å; F513-Q623 HydrophobicContact CZ-CB 4.45Å; L619-Q623 WeakPolarHBondContact O-CG 3.41Å; L619-Q623 PolarHBondContact O-N 3.19Å; N620-Q623 PolarHBondContact O-N 3.05Å; I621-Q623 VanDerWaalsContact C-N 3.33Å; I621-Q623 PolarHBondContact O-N 3.12Å; Q623-L625 VanDerWaalsContact C-N 3.31Å; Q623-L625 PolarHBondContact O-N 2.83Å; Q623-V626 WeakPolarHBondContact O-CB 3.38Å; Q623-V626 PolarHBondContact O-N 3.24Å; Q623-V626 VanDerWaalsContact O-N 3.09Å; Q623-W689 HydrophobicContact CG-CD2 3.69Å; Q623-W689 HydrophobicContact CG-CE3 4.02Å; Q623-W689 HydrophobicContact CG-CG 3.99Å; Q623-W689 HydrophobicContact CG-CZ2 4.39Å; Q623-W689 HydrophobicContact CG-CZ3 4.47Å; Q623-I693 HydrophobicContact CB-CD1 4.07Å; Q623-I693 HydrophobicContact CG-CD1 4.47Å; Q623-I693 WeakPolarHBondContact O-CD1 3.41Å
624	A	97.2	Very high	95.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.3	-37.7	175.4	0	0	0	0	0	112.1	F513 I519 N620 I621 V626 T627	F513-A624 HydrophobicContact CB-CB 4.25Å; F513-A624 HydrophobicContact CD2-CB 4.06Å; F513-A624 HydrophobicContact CG-CB 4.2Å; I519-A624 HydrophobicContact CD1-CB 3.78Å; I519-A624 HydrophobicContact CG1-CB 3.82Å; N620-A624 WeakPolarHBondContact O-CB 3.33Å; N620-A624 PolarHBondContact O-N 3.46Å; I621-A624 WeakPolarHBondContact O-CB 3.33Å; I621-A624 PolarHBondContact O-N 3.3Å; A624-V626 VanDerWaalsContact C-N 3.25Å; A624-V626 PolarHBondContact O-N 3.38Å; A624-T627 WeakPolarHBondContact O-CB 3.39Å; A624-T627 PolarHBondContact O-N 2.9Å; A624-T627 VanDerWaalsContact O-N 3.11Å; A624-T627 PolarHBondContact O-OG1 3.43Å
625	L	97.5	Very high	95.7	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56.6	-39.9	173.3	-64.6	176.4	0	0	0	112.1	M506 I519 I522 H556 M557 I621 R622 Q623 T627 G628 F629 L667 T683	M506-L625 HydrophobicContact SD-CD2 3.56Å; M506-L625 VanDerWaalsContact SD-CD2 3.56Å; I519-L625 HydrophobicContact CD1-CD2 3.96Å; I519-L625 HydrophobicContact CD1-CG 4.39Å; I522-L625 HydrophobicContact CG2-CD2 4.33Å; H556-L625 HydrophobicContact CB-CD1 3.77Å; H556-L625 HydrophobicContact CB-CD2 4.49Å; M557-L625 HydrophobicContact CE-CD1 3.95Å; I621-L625 WeakPolarHBondContact O-CG 3.12Å; I621-L625 PolarHBondContact O-N 3.32Å; R622-L625 WeakPolarHBondContact O-CB 3.5Å; R622-L625 PolarHBondContact O-N 3.08Å; Q623-L625 VanDerWaalsContact C-N 3.31Å; Q623-L625 PolarHBondContact O-N 2.83Å; L625-T627 PolarHBondContact O-N 3.45Å; L625-G628 PolarHBondContact O-N 2.79Å; L625-F629 PolarHBondContact O-N 3.15Å; L625-L667 HydrophobicContact CB-CD1 3.98Å; L625-L667 HydrophobicContact CB-CD2 4.41Å; L625-T683 HydrophobicContact CD1-CG2 4.01Å
626	V	97.8	Very high	96.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-34.5	179.6	176.9	0	0	0	0	111	R622 Q623 A624 G628 F629 F630 L667 V685 W689 L690 I693	R622-V626 PolarHBondContact O-N 3.14Å; Q623-V626 WeakPolarHBondContact O-CB 3.38Å; Q623-V626 PolarHBondContact O-N 3.24Å; Q623-V626 VanDerWaalsContact O-N 3.09Å; A624-V626 VanDerWaalsContact C-N 3.25Å; A624-V626 PolarHBondContact O-N 3.38Å; V626-G628 PolarHBondContact O-N 2.91Å; V626-G628 VanDerWaalsContact O-N 3.16Å; V626-F629 PolarHBondContact O-N 3.48Å; V626-F630 HydrophobicContact CG1-CB 4.05Å; V626-F630 WeakPolarHBondContact O-CA 3.47Å; V626-F630 WeakPolarHBondContact O-CB 3.45Å; V626-F630 WeakPolarHBondContact O-CD1 3.38Å; V626-F630 PolarHBondContact O-N 2.82Å; V626-L667 HydrophobicContact CG2-CD1 4Å; V626-V685 HydrophobicContact CG2-CB 4.48Å; V626-V685 HydrophobicContact CG2-CG1 4.04Å; V626-W689 HydrophobicContact CG2-CE3 4.4Å; V626-L690 HydrophobicContact CG1-CD2 3.87Å; V626-L690 HydrophobicContact CG2-CD2 4.43Å; V626-I693 HydrophobicContact CB-CD1 3.99Å; V626-I693 HydrophobicContact CG1-CB 4.11Å; V626-I693 HydrophobicContact CG1-CD1 4.07Å; V626-I693 HydrophobicContact CG1-CG2 4.15Å
627	T	97.1	Very high	96.3	Very high	9 Å²	9	16.8 Å²	16.8	6%	0.055	8%	0.08	C	C	.	.	H	α-helix	trans	-59.2	-30.9	-177.7	68.9	0	0	0	0	114.2	K505 A509 F513 A624 L625 F630 I693	K505-T627 WeakPolarHBondContact CG-O 3.34Å; A509-T627 HydrophobicContact CB-CG2 3.93Å; F513-T627 HydrophobicContact CD2-CG2 4.38Å; F513-T627 HydrophobicContact CE2-CG2 3.48Å; F513-T627 VanDerWaalsContact CE2-CG2 3.48Å; F513-T627 HydrophobicContact CZ-CG2 3.95Å; A624-T627 WeakPolarHBondContact O-CB 3.39Å; A624-T627 PolarHBondContact O-N 2.9Å; A624-T627 VanDerWaalsContact O-N 3.11Å; A624-T627 PolarHBondContact O-OG1 3.43Å; L625-T627 PolarHBondContact O-N 3.45Å; T627-F630 WeakPolarHBondContact O-CD1 3.08Å; T627-F630 WeakPolarHBondContact O-CE1 3.32Å; T627-I693 HydrophobicContact CG2-CG2 3.73Å
628	G	95.5	Very high	96.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-100	-35.6	177.3	0	0	0	0	0	113.6	Q502 L625 V626	Q502-G628 VanDerWaalsContact CB-O 3.32Å; Q502-G628 WeakPolarHBondContact CB-O 3.5Å; Q502-G628 WeakPolarHBondContact CG-O 3.38Å; Q502-G628 WeakPolarHBondContact O-CA 3.42Å; L625-G628 PolarHBondContact O-N 2.79Å; V626-G628 PolarHBondContact O-N 2.91Å; V626-G628 VanDerWaalsContact O-N 3.16Å
629	F	96.6	Very high	95.9	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.026	14%	0.14	C	C	.	.	H	α-helix	trans	-110.1	18.8	-170.2	-68.9	-80.7	0	0	0	114	Q502 L503 M506 L625 V626 M631 Q632 L667 N669	Q502-F629 HydrophobicContact CB-CD1 4.49Å; Q502-F629 HydrophobicContact CB-CE1 4.31Å; L503-F629 HydrophobicContact CD2-CE2 3.68Å; L503-F629 HydrophobicContact CD2-CZ 3.54Å; L503-F629 HydrophobicContact CG-CZ 4.08Å; M506-F629 HydrophobicContact CE-CE2 4.15Å; M506-F629 HydrophobicContact SD-CD2 3.89Å; M506-F629 HydrophobicContact SD-CE2 3.71Å; L625-F629 PolarHBondContact O-N 3.15Å; V626-F629 PolarHBondContact O-N 3.48Å; F629-M631 PolarHBondContact O-N 3.22Å; F629-Q632 HydrophobicContact CD1-CB 4.43Å; F629-Q632 CarbonylContact O-C 3.55Å; F629-Q632 WeakPolarHBondContact O-CA 3.35Å; F629-Q632 PolarHBondContact O-N 3.45Å; F629-L667 HydrophobicContact CB-CD1 3.84Å; F629-L667 HydrophobicContact CB-CD2 3.78Å; F629-L667 HydrophobicContact CB-CG 3.85Å; F629-L667 HydrophobicContact CG-CD2 4.31Å; F629-N669 WeakPolarHBondContact CZ-OD1 3.43Å
630	F	96.4	Very high	95.7	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.026	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.1	178.5	60	-94.4	0	0	0	114.1	Y477 L478 V626 T627 V633 A694 Y697 Y698	Y477-F630 WeakPolarHBondContact O-CZ 3.24Å; L478-F630 HydrophobicContact CD2-CE1 3.81Å; L478-F630 HydrophobicContact CD2-CZ 4.17Å; V626-F630 HydrophobicContact CG1-CB 4.05Å; V626-F630 WeakPolarHBondContact O-CA 3.47Å; V626-F630 WeakPolarHBondContact O-CB 3.45Å; V626-F630 WeakPolarHBondContact O-CD1 3.38Å; V626-F630 PolarHBondContact O-N 2.82Å; T627-F630 WeakPolarHBondContact O-CD1 3.08Å; T627-F630 WeakPolarHBondContact O-CE1 3.32Å; F630-V633 WeakPolarHBondContact O-CG2 3.44Å; F630-A694 HydrophobicContact CB-CB 3.66Å; F630-A694 HydrophobicContact CD1-CB 3.97Å; F630-A694 HydrophobicContact CD2-CB 3.62Å; F630-A694 HydrophobicContact CE2-CB 4.24Å; F630-A694 HydrophobicContact CG-CB 3.48Å; F630-A694 VanDerWaalsContact CG-CB 3.48Å; F630-Y697 AromaticContact CD2-CD1 3.94Å; F630-Y697 HydrophobicContact CD2-CD1 3.94Å; F630-Y697 HydrophobicContact CD2-CD2 4.48Å; F630-Y697 AromaticContact CD2-CG 3.77Å; F630-Y697 HydrophobicContact CD2-CG 3.77Å; F630-Y697 HydrophobicContact CE2-CD1 4.45Å; F630-Y697 HydrophobicContact CE2-CD2 4.2Å; F630-Y697 AromaticContact CE2-CG 3.84Å; F630-Y697 HydrophobicContact CE2-CG 3.84Å; F630-Y698 HydrophobicContact CB-CE2 4.13Å; F630-Y698 WeakPolarHBondContact O-CE2 3.43Å; F630-Y698 PolarHBondContact O-OH 3.32Å
631	M	94.8	Very high	95.6	Very high	23 Å²	23	30 Å²	30	11%	0.113	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-22.8	173.5	-73.7	168.2	-72.5	0	0	113.3	L474 Y477 L478 F629 V633 Y697	L474-M631 HydrophobicContact CD1-CE 3.17Å; L474-M631 HydrophobicContact CD1-SD 3.72Å; Y477-M631 HydrophobicContact CD2-SD 4.1Å; L478-M631 HydrophobicContact CD2-CE 4.27Å; L478-M631 HydrophobicContact CG-CE 4.33Å; F629-M631 PolarHBondContact O-N 3.22Å; M631-V633 PolarHBondContact O-N 3.45Å; M631-Y697 HydrophobicContact CG-CD1 4.36Å; M631-Y697 HydrophobicContact CG-CD2 3.83Å; M631-Y697 HydrophobicContact CG-CE1 4.08Å; M631-Y697 HydrophobicContact CG-CE2 3.56Å; M631-Y697 HydrophobicContact CG-CG 4.23Å; M631-Y697 HydrophobicContact SD-CE2 4.37Å
632	Q	95.8	Very high	95.6	Very high	36 Å²	36	30 Å²	30	17%	0.168	15%	0.147	C	C	.	.	S	Bend	trans	-101.6	66.1	-177	-68.2	-179.9	-149.8	0	0	110.4	F629 L667 Y668 N669	F629-Q632 HydrophobicContact CD1-CB 4.43Å; F629-Q632 CarbonylContact O-C 3.55Å; F629-Q632 WeakPolarHBondContact O-CA 3.35Å; F629-Q632 PolarHBondContact O-N 3.45Å; Q632-L667 WeakPolarHBondContact O-CA 3.07Å; Q632-Y668 HydrophobicContact CB-CD1 4.34Å; Q632-Y668 HydrophobicContact CB-CD2 4.1Å; Q632-Y668 HydrophobicContact CB-CE1 4.08Å; Q632-Y668 HydrophobicContact CB-CE2 3.79Å; Q632-Y668 HydrophobicContact CB-CG 4.35Å; Q632-Y668 VanDerWaalsContact CB-O 3.23Å; Q632-Y668 WeakPolarHBondContact CB-O 3.46Å; Q632-Y668 HydrophobicContact CG-CE2 4Å; Q632-Y668 PolarHBondContact NE2-O 2.99Å; Q632-Y668 VanDerWaalsContact O-CD1 3.25Å; Q632-Y668 WeakPolarHBondContact O-CD1 3.43Å; Q632-Y668 PolarHBondContact O-N 3.31Å; Q632-N669 VanDerWaalsContact NE2-C 3.26Å; Q632-N669 PolarHBondContact NE2-O 3.35Å
633	V	97.3	Very high	95.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.4	-177.7	176.9	0	0	0	0	109.4	F630 M631 T644 A645 W665 V666 L690 Y698	F630-V633 WeakPolarHBondContact O-CG2 3.44Å; M631-V633 PolarHBondContact O-N 3.45Å; V633-T644 WeakPolarHBondContact O-CA 3.48Å; V633-A645 HydrophobicContact CB-CB 4.41Å; V633-A645 PolarHBondContact O-N 3.36Å; V633-W665 HydrophobicContact CG1-CE3 3.59Å; V633-W665 HydrophobicContact CG1-CZ3 4.03Å; V633-V666 CarbonylContact C-O 3.58Å; V633-V666 VanDerWaalsContact CA-O 3.31Å; V633-V666 WeakPolarHBondContact CA-O 3.34Å; V633-L690 HydrophobicContact CG1-CD1 3.95Å; V633-L690 HydrophobicContact CG1-CD2 4.48Å; V633-L690 HydrophobicContact CG2-CD2 3.93Å; V633-Y698 WeakPolarHBondContact CB-OH 3.38Å; V633-Y698 WeakPolarHBondContact CG2-OH 3.38Å
634	A	97.5	Very high	95.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.3	173.9	0	0	0	0	0	111.6	Y642 L643 T644 V651 V666 Y668 I679	A634-Y642 HydrophobicContact CB-CD1 4.09Å; A634-Y642 HydrophobicContact CB-CG 4.46Å; A634-L643 CarbonylContact C-O 3.51Å; A634-L643 VanDerWaalsContact CA-O 3.26Å; A634-L643 WeakPolarHBondContact CA-O 3.46Å; A634-T644 HydrophobicContact CB-CG2 4.48Å; A634-V651 HydrophobicContact CB-CG2 4.22Å; A634-V666 HydrophobicContact CB-CG2 3.94Å; A634-V666 PolarHBondContact N-O 3.15Å; A634-V666 PolarHBondContact O-N 2.6Å; A634-Y668 HydrophobicContact CB-CE1 4.49Å; A634-I679 HydrophobicContact CB-CD1 3.95Å
635	H	97.8	Very high	95.3	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.032	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.4	179.4	172	-100.2	0	0	0	110.6	E637 Y642 L643 E664 W665 A708 Q711	H635-E637 IonicContact CE1-OE1 2.73Å; H635-E637 IonicContact ND1-OE1 3.47Å; H635-E637 PolarHBondContact ND1-OE1 2.94Å; H635-E637 PolarHBondContact O-N 2.79Å; H635-Y642 CarbonylContact O-C 3.41Å; H635-Y642 VanDerWaalsContact O-CA 3.23Å; H635-Y642 WeakPolarHBondContact O-CA 3.5Å; H635-L643 PolarHBondContact N-O 3.47Å; H635-L643 PolarHBondContact O-N 3.44Å; H635-E664 CarbonylContact C-O 3.5Å; H635-E664 WeakPolarHBondContact CA-O 3.28Å; H635-W665 HydrophobicContact CB-CD2 4.44Å; H635-W665 HydrophobicContact CB-CE3 4.27Å; H635-W665 HydrophobicContact CB-CH2 4.26Å; H635-W665 HydrophobicContact CB-CZ2 4.38Å; H635-W665 HydrophobicContact CB-CZ3 4.19Å; H635-W665 AromaticContact CD2-CE2 3.5Å; H635-W665 VanDerWaalsContact CD2-CE2 3.5Å; H635-W665 AromaticContact CD2-CZ2 3.64Å; H635-W665 AromaticContact CD2-NE1 3.57Å; H635-A708 HydrophobicContact CB-CB 3.78Å; H635-Q711 PolarHBondContact NE2-OE1 3.21Å
636	L	97.3	Very high	94.9	Very high	39 Å²	39	30.5 Å²	30.5	20%	0.204	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	114.4	177.2	-178.8	65.4	0	0	0	110.4	Y642 K662 E664	L636-Y642 HydrophobicContact CB-CD1 4.14Å; L636-Y642 HydrophobicContact CB-CE1 3.7Å; L636-Y642 HydrophobicContact CD1-CD2 4.15Å; L636-Y642 HydrophobicContact CD1-CE1 4.25Å; L636-Y642 HydrophobicContact CD1-CE2 3.79Å; L636-K662 HydrophobicContact CD1-CB 4.3Å; L636-K662 HydrophobicContact CD1-CD 4.07Å; L636-K662 HydrophobicContact CD2-CB 3.91Å; L636-E664 WeakPolarHBondContact CB-O 3.33Å; L636-E664 PolarHBondContact N-O 2.73Å
637	E	94.6	Very high	94.5	Very high	30 Å²	30	32.1 Å²	32.1	14%	0.14	16%	0.159	C	C	.	.			trans	-78.8	156.3	174.1	-63.3	-67.6	121.9	0	0	110.9	H635 T639 G640 H641 L643 E707	H635-E637 IonicContact CE1-OE1 2.73Å; H635-E637 IonicContact ND1-OE1 3.47Å; H635-E637 PolarHBondContact ND1-OE1 2.94Å; H635-E637 PolarHBondContact O-N 2.79Å; E637-T639 PolarHBondContact O-N 3.24Å; E637-G640 PolarHBondContact O-N 2.9Å; E637-H641 PolarHBondContact N-O 2.84Å; E637-L643 HydrophobicContact CG-CB 4.08Å; E637-E707 WeakPolarHBondContact OE2-CG 3.47Å
638	R	90.7	Very high	94.2	Very high	220 Å²	220	34.6 Å²	34.6	83%	0.83	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-26	178.5	-69.3	174.8	-175.9	-175.6	-0.7	115.3	G640 E707	R638-G640 PolarHBondContact O-N 2.84Å; R638-E707 VanDerWaalsContact CD-OE1 3.27Å; R638-E707 WeakPolarHBondContact CD-OE1 3.41Å; R638-E707 IonicContact CZ-OE1 3.49Å; R638-E707 PolarHBondContact N-OE2 3.36Å; R638-E707 IonicContact NE-OE1 2.76Å; R638-E707 PolarHBondContact NE-OE1 3.22Å
639	T	89.9	Confident	94.1	Very high	113 Å²	113	36.9 Å²	36.9	69%	0.693	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-2.3	178.5	54.5	0	0	0	0	113.1	E637 H641	E637-T639 PolarHBondContact O-N 3.24Å; T639-H641 PolarHBondContact OG1-CE1 2.6Å; T639-H641 PolarHBondContact OG1-ND1 2.98Å
640	G	89.9	Confident	94.1	Very high	26 Å²	26	40.3 Å²	40.3	27%	0.268	21%	0.205	S	C	.	.	S	Bend	trans	89.4	4.7	171.8	0	0	0	0	0	115.5	E637 R638 K662	E637-G640 PolarHBondContact O-N 2.9Å; R638-G640 PolarHBondContact O-N 2.84Å; G640-K662 PolarHBondContact O-NZ 3.17Å
641	H	93.1	Very high	94	Very high	56 Å²	56	40.1 Å²	40.1	26%	0.259	20%	0.204	S	C	.	.			trans	-96	163.4	167.3	66.9	-95.4	0	0	0	110.8	E637 T639 V650	E637-H641 PolarHBondContact N-O 2.84Å; T639-H641 PolarHBondContact OG1-CE1 2.6Å; T639-H641 PolarHBondContact OG1-ND1 2.98Å; H641-V650 HydrophobicContact CB-CG1 4.2Å
642	Y	97.2	Very high	94.1	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	149.2	175.8	-77.2	-92	0	0	0	111	A634 H635 L636 V650 V651 L653 K662 P663 V666	A634-Y642 HydrophobicContact CB-CD1 4.09Å; A634-Y642 HydrophobicContact CB-CG 4.46Å; H635-Y642 CarbonylContact O-C 3.41Å; H635-Y642 VanDerWaalsContact O-CA 3.23Å; H635-Y642 WeakPolarHBondContact O-CA 3.5Å; L636-Y642 HydrophobicContact CB-CD1 4.14Å; L636-Y642 HydrophobicContact CB-CE1 3.7Å; L636-Y642 HydrophobicContact CD1-CD2 4.15Å; L636-Y642 HydrophobicContact CD1-CE1 4.25Å; L636-Y642 HydrophobicContact CD1-CE2 3.79Å; Y642-V650 WeakPolarHBondContact O-CA 3.28Å; Y642-V651 PolarHBondContact N-O 3.25Å; Y642-V651 PolarHBondContact O-N 3.07Å; Y642-L653 HydrophobicContact CD2-CD2 4.35Å; Y642-L653 HydrophobicContact CD2-CG 4.25Å; Y642-L653 HydrophobicContact CE2-CD1 4.04Å; Y642-L653 HydrophobicContact CE2-CD2 3.94Å; Y642-L653 HydrophobicContact CE2-CG 3.69Å; Y642-K662 HydrophobicContact CE2-CB 4.43Å; Y642-K662 HydrophobicContact CE2-CD 4.39Å; Y642-K662 HydrophobicContact CE2-CG 4.35Å; Y642-K662 VanDerWaalsContact OH-C 3.27Å; Y642-K662 WeakPolarHBondContact OH-CA 3.2Å; Y642-K662 WeakPolarHBondContact OH-CB 3.4Å; Y642-P663 VanDerWaalsContact CE1-O 3.25Å; Y642-P663 WeakPolarHBondContact CE1-O 3.49Å; Y642-P663 VanDerWaalsContact CZ-O 3.31Å; Y642-P663 WeakPolarHBondContact OH-CD 3.42Å; Y642-P663 PolarHBondContact OH-O 3.46Å; Y642-V666 HydrophobicContact CD1-CG2 3.69Å; Y642-V666 HydrophobicContact CE1-CB 4.35Å; Y642-V666 HydrophobicContact CE1-CG1 3.89Å; Y642-V666 HydrophobicContact CE1-CG2 3.55Å; Y642-V666 HydrophobicContact CG-CG2 4.49Å
643	L	96.3	Very high	94.2	Very high	24 Å²	24	42.4 Å²	42.4	13%	0.126	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.1	174.8	-164.1	70.8	0	0	0	109.9	A634 H635 E637 N648 Q649 V650 C706	A634-L643 CarbonylContact C-O 3.51Å; A634-L643 VanDerWaalsContact CA-O 3.26Å; A634-L643 WeakPolarHBondContact CA-O 3.46Å; H635-L643 PolarHBondContact N-O 3.47Å; H635-L643 PolarHBondContact O-N 3.44Å; E637-L643 HydrophobicContact CG-CB 4.08Å; L643-N648 HydrophobicContact CD1-CB 4.08Å; L643-N648 VanDerWaalsContact CD1-O 3.3Å; L643-N648 WeakPolarHBondContact CD1-O 3.45Å; L643-N648 HydrophobicContact CD2-CB 4.22Å; L643-N648 HydrophobicContact CG-CB 4.24Å; L643-Q649 WeakPolarHBondContact CA-O 3.31Å; L643-V650 HydrophobicContact CD1-CG2 4.1Å; L643-C706 HydrophobicContact CD2-CB 4.34Å
644	T	95.5	Very high	94.1	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	142.1	178.7	62.7	0	0	0	0	111.9	V633 A634 K646 N648 Q649 V651 Y668 F671	V633-T644 WeakPolarHBondContact O-CA 3.48Å; A634-T644 HydrophobicContact CB-CG2 4.48Å; T644-K646 PolarHBondContact O-N 2.75Å; T644-N648 PolarHBondContact O-N 3.26Å; T644-N648 VanDerWaalsContact O-N 3.1Å; T644-Q649 HydrophobicContact CG2-CB 4.06Å; T644-Q649 PolarHBondContact N-O 2.77Å; T644-Q649 WeakPolarHBondContact OG1-CB 3.41Å; T644-Q649 PolarHBondContact OG1-N 2.76Å; T644-V651 HydrophobicContact CG2-CG1 3.97Å; T644-V651 HydrophobicContact CG2-CG2 4.12Å; T644-Y668 HydrophobicContact CG2-CE1 4.24Å; T644-F671 HydrophobicContact CG2-CE2 4.49Å
645	A	92.7	Very high	93.9	Very high	6 Å²	6	49.2 Å²	49.2	5%	0.05	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	133.5	-179.5	0	0	0	0	0	111.5	V633 D647 Y698 F703	V633-A645 HydrophobicContact CB-CB 4.41Å; V633-A645 PolarHBondContact O-N 3.36Å; A645-D647 PolarHBondContact O-N 3.34Å; A645-Y698 HydrophobicContact CB-CE1 4.43Å; A645-F703 HydrophobicContact CB-CZ 4.22Å
646	K	89.4	Confident	93.7	Very high	34 Å²	34	50.4 Å²	50.4	15%	0.148	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	-46.5	-173.4	-62.7	-161	-177.1	-171	0	116.4	T644 N648 Y697 N702 F703	T644-K646 PolarHBondContact O-N 2.75Å; K646-N648 VanDerWaalsContact C-N 3.34Å; K646-N648 PolarHBondContact O-N 3.11Å; K646-Y697 HydrophobicContact CD-CE1 4.21Å; K646-Y697 HydrophobicContact CD-CE2 3.8Å; K646-Y697 WeakPolarHBondContact CE-O 3.32Å; K646-Y697 HydrophobicContact CG-CE1 4.27Å; K646-Y697 PolarHBondContact NZ-O 2.9Å; K646-N702 PolarHBondContact NZ-OD1 3.46Å; K646-F703 HydrophobicContact CG-CD2 4.07Å; K646-F703 HydrophobicContact CG-CE2 3.94Å
647	D	88.9	Confident	93.6	Very high	34 Å²	34	49.9 Å²	49.9	18%	0.182	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.9	-174.3	-56.7	-54.9	0	0	0	114.1	R384 A645 Q649	R384-D647 IonicContact CZ-OD1 2.7Å; R384-D647 IonicContact CZ-OD2 2.81Å; R384-D647 IonicContact NE-OD1 2.88Å; R384-D647 PolarHBondContact NE-OD1 3Å; R384-D647 IonicContact NE-OD2 3.21Å; R384-D647 PolarHBondContact NE-OD2 2.92Å; R384-D647 IonicContact NH2-OD1 2.79Å; R384-D647 PolarHBondContact NH2-OD1 3.2Å; R384-D647 IonicContact NH2-OD2 2.72Å; R384-D647 PolarHBondContact NH2-OD2 3.45Å; A645-D647 PolarHBondContact O-N 3.34Å; D647-Q649 HydrophobicContact CB-CG 4.23Å; D647-Q649 PolarHBondContact O-N 3.33Å; D647-Q649 VanDerWaalsContact O-N 3.17Å; D647-Q649 PolarHBondContact O-NE2 3.49Å
648	N	91.7	Very high	93.7	Very high	62 Å²	62	49 Å²	49	33%	0.332	26%	0.259	S	S	.	.			trans	51.3	38.5	176.6	-63.3	-29.7	0	0	0	114.2	L643 T644 K646	L643-N648 HydrophobicContact CD1-CB 4.08Å; L643-N648 VanDerWaalsContact CD1-O 3.3Å; L643-N648 WeakPolarHBondContact CD1-O 3.45Å; L643-N648 HydrophobicContact CD2-CB 4.22Å; L643-N648 HydrophobicContact CG-CB 4.24Å; T644-N648 PolarHBondContact O-N 3.26Å; T644-N648 VanDerWaalsContact O-N 3.1Å; K646-N648 VanDerWaalsContact C-N 3.34Å; K646-N648 PolarHBondContact O-N 3.11Å
649	Q	93.5	Very high	93.9	Very high	48 Å²	48	39.3 Å²	39.3	22%	0.224	22%	0.224	C	C	.	.			trans	-82.6	127.5	175.5	-60.3	-56.4	-60.1	0	0	110	I383 L643 T644 D647 V651 F671	I383-Q649 HydrophobicContact CB-CG 4.31Å; I383-Q649 HydrophobicContact CG2-CG 4.4Å; L643-Q649 WeakPolarHBondContact CA-O 3.31Å; T644-Q649 HydrophobicContact CG2-CB 4.06Å; T644-Q649 PolarHBondContact N-O 2.77Å; T644-Q649 WeakPolarHBondContact OG1-CB 3.41Å; T644-Q649 PolarHBondContact OG1-N 2.76Å; D647-Q649 HydrophobicContact CB-CG 4.23Å; D647-Q649 PolarHBondContact O-N 3.33Å; D647-Q649 VanDerWaalsContact O-N 3.17Å; D647-Q649 PolarHBondContact O-NE2 3.49Å; Q649-V651 HydrophobicContact CB-CG1 4.34Å; Q649-V651 PolarHBondContact O-N 3.19Å; Q649-F671 HydrophobicContact CB-CE2 4.16Å; Q649-F671 HydrophobicContact CB-CZ 4.5Å
650	V	95.3	Very high	94	Very high	78 Å²	78	40.3 Å²	40.3	47%	0.473	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120.4	174.5	178.1	0	0	0	0	108.8	H641 Y642 L643 N677	H641-V650 HydrophobicContact CB-CG1 4.2Å; Y642-V650 WeakPolarHBondContact O-CA 3.28Å; L643-V650 HydrophobicContact CD1-CG2 4.1Å; V650-N677 WeakPolarHBondContact O-CB 3.46Å; V650-N677 PolarHBondContact O-ND2 3.46Å
651	V	96	Very high	94.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	163.5	-176.4	-58.5	0	0	0	0	111.9	A634 Y642 T644 Q649 F671 N677 I679	A634-V651 HydrophobicContact CB-CG2 4.22Å; Y642-V651 PolarHBondContact N-O 3.25Å; Y642-V651 PolarHBondContact O-N 3.07Å; T644-V651 HydrophobicContact CG2-CG1 3.97Å; T644-V651 HydrophobicContact CG2-CG2 4.12Å; Q649-V651 HydrophobicContact CB-CG1 4.34Å; Q649-V651 PolarHBondContact O-N 3.19Å; V651-F671 HydrophobicContact CG1-CD2 4.22Å; V651-F671 HydrophobicContact CG1-CE2 3.43Å; V651-F671 VanDerWaalsContact CG1-CE2 3.43Å; V651-F671 HydrophobicContact CG1-CZ 3.96Å; V651-N677 WeakPolarHBondContact CA-O 3.49Å; V651-N677 HydrophobicContact CG1-CB 3.95Å; V651-I679 HydrophobicContact CB-CG2 4.09Å; V651-I679 HydrophobicContact CG1-CG2 4.22Å; V651-I679 HydrophobicContact CG2-CD1 3.99Å; V651-I679 HydrophobicContact CG2-CG1 4.07Å; V651-I679 HydrophobicContact CG2-CG2 3.89Å
652	Q	96.8	Very high	94.2	Very high	81 Å²	81	45.8 Å²	45.8	38%	0.379	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	153.7	172.2	-60.8	-175	-6.2	0	0	109.9	H654 N677 Y678 I679	Q652-H654 PolarHBondContact O-N 3.05Å; Q652-N677 PolarHBondContact N-O 3.26Å; Q652-Y678 HydrophobicContact CB-CD1 3.95Å; Q652-Y678 HydrophobicContact CB-CE1 4.06Å; Q652-Y678 CarbonylContact O-C 3.55Å; Q652-Y678 VanDerWaalsContact O-CA 3.24Å; Q652-Y678 WeakPolarHBondContact O-CA 3.44Å; Q652-I679 WeakPolarHBondContact O-CG1 3.45Å; Q652-I679 PolarHBondContact O-N 3.37Å
653	L	96.6	Very high	94.2	Very high	27 Å²	27	45.9 Å²	45.9	14%	0.141	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	131.9	168.9	-58.2	179.9	0	0	0	108.9	Y642 T657 L659 K662 V666 I679 C682	Y642-L653 HydrophobicContact CD2-CD2 4.35Å; Y642-L653 HydrophobicContact CD2-CG 4.25Å; Y642-L653 HydrophobicContact CE2-CD1 4.04Å; Y642-L653 HydrophobicContact CE2-CD2 3.94Å; Y642-L653 HydrophobicContact CE2-CG 3.69Å; L653-T657 HydrophobicContact CB-CG2 4.08Å; L653-T657 HydrophobicContact CD1-CG2 4.48Å; L653-L659 HydrophobicContact CD1-CD1 4.33Å; L653-K662 HydrophobicContact CD1-CG 4.43Å; L653-V666 HydrophobicContact CD2-CG1 4.34Å; L653-V666 HydrophobicContact CD2-CG2 4.19Å; L653-I679 HydrophobicContact CD2-CD1 3.95Å; L653-I679 HydrophobicContact CD2-CG1 4.18Å; L653-C682 HydrophobicContact CD2-CB 4.09Å
654	H	95.4	Very high	94.2	Very high	39 Å²	39	49.6 Å²	49.6	18%	0.181	26%	0.26	C	S	.	.			trans	-61	137.8	177.4	-171.4	-91.8	0	0	0	109.6	Q652 S656 T657 I679 R680	Q652-H654 PolarHBondContact O-N 3.05Å; H654-S656 VanDerWaalsContact ND1-CB 3.32Å; H654-S656 WeakPolarHBondContact ND1-CB 3.49Å; H654-S656 PolarHBondContact ND1-N 3.18Å; H654-S656 PolarHBondContact ND1-OG 2.82Å; H654-S656 PolarHBondContact O-N 3.08Å; H654-T657 WeakPolarHBondContact O-CG2 3.49Å; H654-T657 PolarHBondContact O-N 3.4Å; H654-I679 VanDerWaalsContact CB-O 3.24Å; H654-I679 WeakPolarHBondContact CB-O 3.46Å; H654-I679 PolarHBondContact N-O 2.75Å; H654-R680 HydrophobicContact CB-CB 3.91Å; H654-R680 HydrophobicContact CB-CG 4.24Å
655	P	93	Very high	94.3	Very high	103 Å²	103	49.6 Å²	49.6	67%	0.669	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-11.8	-176.6	-26.1	34.8	0	0	0	115.3	T657 Y678	P655-T657 VanDerWaalsContact C-N 3.34Å; P655-Y678 HydrophobicContact CG-CE1 4.3Å
656	S	93.1	Very high	94.5	Very high	33 Å²	33	49.3 Å²	49.3	23%	0.231	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-4.4	174.8	73.5	0	0	0	0	113.8	K546 H654	K546-S656 PolarHBondContact NZ-O 3.17Å; H654-S656 VanDerWaalsContact ND1-CB 3.32Å; H654-S656 WeakPolarHBondContact ND1-CB 3.49Å; H654-S656 PolarHBondContact ND1-N 3.18Å; H654-S656 PolarHBondContact ND1-OG 2.82Å; H654-S656 PolarHBondContact O-N 3.08Å
657	T	96.1	Very high	94.9	Very high	27 Å²	27	47.7 Å²	47.7	17%	0.166	25%	0.25	C	C	.	.			trans	-65.4	149.2	-179.2	-167.6	0	0	0	0	111.2	D555 L653 H654 P655 L659	D555-T657 WeakPolarHBondContact OD1-CA 3.45Å; D555-T657 WeakPolarHBondContact OD2-CA 3.45Å; D555-T657 WeakPolarHBondContact OD2-CB 3.43Å; D555-T657 PolarHBondContact OD2-OG1 3.33Å; L653-T657 HydrophobicContact CB-CG2 4.08Å; L653-T657 HydrophobicContact CD1-CG2 4.48Å; H654-T657 WeakPolarHBondContact O-CG2 3.49Å; H654-T657 PolarHBondContact O-N 3.4Å; P655-T657 VanDerWaalsContact C-N 3.34Å; T657-L659 VanDerWaalsContact C-N 3.33Å; T657-L659 HydrophobicContact CG2-CB 4.17Å; T657-L659 PolarHBondContact OG1-N 3.27Å
658	V	95.9	Very high	95.3	Very high	11 Å²	11	46.7 Å²	46.7	7%	0.067	24%	0.244	C	C	.	.			trans	-83.9	-8.2	172.2	-60	0	0	0	0	113.8	K546 M547 A550 D555 T558 D660	K546-V658 HydrophobicContact CD-CG1 4.44Å; K546-V658 VanDerWaalsContact CE-CG1 3.48Å; K546-V658 HydrophobicContact CG-CG1 4.35Å; M547-V658 HydrophobicContact SD-CB 4.46Å; M547-V658 HydrophobicContact SD-CG1 4.44Å; A550-V658 HydrophobicContact CB-CB 3.79Å; A550-V658 HydrophobicContact CB-CG1 3.93Å; A550-V658 HydrophobicContact CB-CG2 4.27Å; D555-V658 PolarHBondContact OD1-N 2.93Å; T558-V658 HydrophobicContact CG2-CG1 4Å; T558-V658 VanDerWaalsContact OG1-CG2 3.3Å; T558-V658 WeakPolarHBondContact OG1-CG2 3.35Å; V658-D660 PolarHBondContact O-N 3.12Å
659	L	95.1	Very high	95.5	Very high	17 Å²	17	45.6 Å²	45.6	9%	0.089	24%	0.238	C	C	.	.			trans	-64.2	118.8	-179.3	-68.1	170.6	0	0	0	110	I552 L653 T657 H661 P663 C682	I552-L659 WeakPolarHBondContact O-CD2 3.25Å; L653-L659 HydrophobicContact CD1-CD1 4.33Å; T657-L659 VanDerWaalsContact C-N 3.33Å; T657-L659 HydrophobicContact CG2-CB 4.17Å; T657-L659 PolarHBondContact OG1-N 3.27Å; L659-H661 VanDerWaalsContact C-N 3.35Å; L659-P663 HydrophobicContact CD1-CG 4.08Å; L659-P663 HydrophobicContact CD2-CG 4.28Å; L659-C682 HydrophobicContact CD1-CB 3.94Å
660	D	92.4	Very high	95.3	Very high	135 Å²	135	46.2 Å²	46.2	72%	0.722	24%	0.241	S	C	*	.	S	Bend	trans	-84.7	-13.2	177.5	64.2	-12.4	0	0	0	112.9	V658	V658-D660 PolarHBondContact O-N 3.12Å
661	H	93.1	Very high	95.1	Very high	77 Å²	77	43 Å²	43	36%	0.356	22%	0.22	S	C	.	.	S	Bend	trans	-125.7	174.9	175.8	65.1	-76.3	0	0	0	110.7	L659 P663	L659-H661 VanDerWaalsContact C-N 3.35Å; H661-P663 WeakPolarHBondContact O-CD 3.36Å
662	K	95	Very high	94.8	Very high	120 Å²	120	43.9 Å²	43.9	52%	0.522	23%	0.226	S	C	.	.			trans	-106.2	100	174.7	-72	-175.8	177.8	-179.5	0	109.3	L636 G640 Y642 L653	L636-K662 HydrophobicContact CD1-CB 4.3Å; L636-K662 HydrophobicContact CD1-CD 4.07Å; L636-K662 HydrophobicContact CD2-CB 3.91Å; G640-K662 PolarHBondContact O-NZ 3.17Å; Y642-K662 HydrophobicContact CE2-CB 4.43Å; Y642-K662 HydrophobicContact CE2-CD 4.39Å; Y642-K662 HydrophobicContact CE2-CG 4.35Å; Y642-K662 VanDerWaalsContact OH-C 3.27Å; Y642-K662 WeakPolarHBondContact OH-CA 3.2Å; Y642-K662 WeakPolarHBondContact OH-CB 3.4Å; L653-K662 HydrophobicContact CD1-CG 4.43Å
663	P	96.1	Very high	94.3	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.026	23%	0.225	C	C	.	.			trans	-60.1	145.9	173.5	-21.3	31.7	0	0	0	111	Y642 L659 H661 W665 V666 D684	Y642-P663 VanDerWaalsContact CE1-O 3.25Å; Y642-P663 WeakPolarHBondContact CE1-O 3.49Å; Y642-P663 VanDerWaalsContact CZ-O 3.31Å; Y642-P663 WeakPolarHBondContact OH-CD 3.42Å; Y642-P663 PolarHBondContact OH-O 3.46Å; L659-P663 HydrophobicContact CD1-CG 4.08Å; L659-P663 HydrophobicContact CD2-CG 4.28Å; H661-P663 WeakPolarHBondContact O-CD 3.36Å; P663-W665 PolarHBondContact O-N 3.32Å; P663-V666 HydrophobicContact CB-CG1 3.72Å; P663-V666 HydrophobicContact CG-CG1 3.81Å; P663-D684 HydrophobicContact CB-CB 3.92Å; P663-D684 HydrophobicContact CG-CB 3.86Å
664	E	96.1	Very high	93.7	Very high	101 Å²	101	45.4 Å²	45.4	47%	0.472	24%	0.239	S	C	.	.	S	Bend	trans	-62.8	-36.2	178.9	-169.6	179.8	-153.4	0	0	111.7	H635 L636 Q711	H635-E664 CarbonylContact C-O 3.5Å; H635-E664 WeakPolarHBondContact CA-O 3.28Å; L636-E664 WeakPolarHBondContact CB-O 3.33Å; L636-E664 PolarHBondContact N-O 2.73Å; E664-Q711 PolarHBondContact OE1-NE2 3.43Å; E664-Q711 VanDerWaalsContact OE1-NE2 3.08Å; E664-Q711 PolarHBondContact OE1-OE1 3.46Å; E664-Q711 PolarHBondContact OE2-NE2 3.15Å
665	W	97.8	Very high	93.2	Very high	3 Å²	3	50.8 Å²	50.8	1%	0.011	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.8	175.4	-69.5	81.2	0	0	0	110.2	V633 H635 P663 V685 P687 L690 A708 L712	V633-W665 HydrophobicContact CG1-CE3 3.59Å; V633-W665 HydrophobicContact CG1-CZ3 4.03Å; H635-W665 HydrophobicContact CB-CD2 4.44Å; H635-W665 HydrophobicContact CB-CE3 4.27Å; H635-W665 HydrophobicContact CB-CH2 4.26Å; H635-W665 HydrophobicContact CB-CZ2 4.38Å; H635-W665 HydrophobicContact CB-CZ3 4.19Å; H635-W665 AromaticContact CD2-CE2 3.5Å; H635-W665 VanDerWaalsContact CD2-CE2 3.5Å; H635-W665 AromaticContact CD2-CZ2 3.64Å; H635-W665 AromaticContact CD2-NE1 3.57Å; P663-W665 PolarHBondContact O-N 3.32Å; W665-V685 HydrophobicContact CB-CG2 4.03Å; W665-V685 VanDerWaalsContact CB-O 3.31Å; W665-V685 WeakPolarHBondContact CB-O 3.42Å; W665-V685 PolarHBondContact O-N 3.3Å; W665-V685 VanDerWaalsContact O-N 3.14Å; W665-P687 HydrophobicContact CD2-CB 4.14Å; W665-P687 HydrophobicContact CG-CB 4.25Å; W665-P687 HydrophobicContact CG-CG 4.43Å; W665-P687 HydrophobicContact CZ2-CB 4.24Å; W665-L690 HydrophobicContact CD2-CD1 4.26Å; W665-L690 HydrophobicContact CE3-CD1 3.56Å; W665-L690 HydrophobicContact CH2-CD1 4.48Å; W665-L690 HydrophobicContact CZ3-CD1 3.69Å; W665-A708 HydrophobicContact CH2-CB 3.42Å; W665-A708 VanDerWaalsContact CH2-CB 3.42Å; W665-A708 HydrophobicContact CZ2-CB 3.84Å; W665-A708 HydrophobicContact CZ3-CB 4.29Å; W665-L712 HydrophobicContact CH2-CD1 3.81Å; W665-L712 HydrophobicContact CH2-CD2 4.2Å; W665-L712 HydrophobicContact CH2-CG 3.93Å; W665-L712 HydrophobicContact CZ2-CD1 4.46Å; W665-L712 HydrophobicContact CZ2-CD2 4.28Å; W665-L712 HydrophobicContact CZ2-CG 4.09Å
666	V	97.9	Very high	93.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.5	179.2	-64.6	0	0	0	0	110.6	V633 A634 Y642 L653 P663 I679 T683	V633-V666 CarbonylContact C-O 3.58Å; V633-V666 VanDerWaalsContact CA-O 3.31Å; V633-V666 WeakPolarHBondContact CA-O 3.34Å; A634-V666 HydrophobicContact CB-CG2 3.94Å; A634-V666 PolarHBondContact N-O 3.15Å; A634-V666 PolarHBondContact O-N 2.6Å; Y642-V666 HydrophobicContact CD1-CG2 3.69Å; Y642-V666 HydrophobicContact CE1-CB 4.35Å; Y642-V666 HydrophobicContact CE1-CG1 3.89Å; Y642-V666 HydrophobicContact CE1-CG2 3.55Å; Y642-V666 HydrophobicContact CG-CG2 4.49Å; L653-V666 HydrophobicContact CD2-CG1 4.34Å; L653-V666 HydrophobicContact CD2-CG2 4.19Å; P663-V666 HydrophobicContact CB-CG1 3.72Å; P663-V666 HydrophobicContact CG-CG1 3.81Å; V666-I679 HydrophobicContact CG2-CD1 3.62Å; V666-T683 WeakPolarHBondContact CA-O 3.45Å
667	L	98.1	Very high	93.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	136.5	165.9	-179.1	156.7	0	0	0	108.2	L625 V626 F629 Q632 C682 T683 V685	L625-L667 HydrophobicContact CB-CD1 3.98Å; L625-L667 HydrophobicContact CB-CD2 4.41Å; V626-L667 HydrophobicContact CG2-CD1 4Å; F629-L667 HydrophobicContact CB-CD1 3.84Å; F629-L667 HydrophobicContact CB-CD2 3.78Å; F629-L667 HydrophobicContact CB-CG 3.85Å; F629-L667 HydrophobicContact CG-CD2 4.31Å; Q632-L667 WeakPolarHBondContact O-CA 3.07Å; L667-C682 CarbonylContact O-C 3.54Å; L667-C682 VanDerWaalsContact O-CA 3.3Å; L667-C682 WeakPolarHBondContact O-CA 3.37Å; L667-T683 PolarHBondContact N-O 3.46Å; L667-T683 PolarHBondContact O-N 3.23Å; L667-V685 HydrophobicContact CB-CG1 3.64Å; L667-V685 HydrophobicContact CB-CG2 4.18Å; L667-V685 HydrophobicContact CD1-CG1 4.14Å
668	Y	97.1	Very high	93	Very high	14 Å²	14	52.6 Å²	52.6	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.5	-179.6	65.9	-91.7	0	0	0	112.5	Q632 A634 T644 F671 I679 T681	Q632-Y668 HydrophobicContact CB-CD1 4.34Å; Q632-Y668 HydrophobicContact CB-CD2 4.1Å; Q632-Y668 HydrophobicContact CB-CE1 4.08Å; Q632-Y668 HydrophobicContact CB-CE2 3.79Å; Q632-Y668 HydrophobicContact CB-CG 4.35Å; Q632-Y668 VanDerWaalsContact CB-O 3.23Å; Q632-Y668 WeakPolarHBondContact CB-O 3.46Å; Q632-Y668 HydrophobicContact CG-CE2 4Å; Q632-Y668 PolarHBondContact NE2-O 2.99Å; Q632-Y668 VanDerWaalsContact O-CD1 3.25Å; Q632-Y668 WeakPolarHBondContact O-CD1 3.43Å; Q632-Y668 PolarHBondContact O-N 3.31Å; A634-Y668 HydrophobicContact CB-CE1 4.49Å; T644-Y668 HydrophobicContact CG2-CE1 4.24Å; Y668-F671 HydrophobicContact CE2-CB 4.33Å; Y668-I679 HydrophobicContact CD1-CB 4.1Å; Y668-I679 HydrophobicContact CD1-CD1 4.08Å; Y668-I679 HydrophobicContact CD1-CG2 3.72Å; Y668-I679 HydrophobicContact CD2-CB 4.1Å; Y668-I679 HydrophobicContact CD2-CG2 3.73Å; Y668-I679 HydrophobicContact CE1-CG2 3.93Å; Y668-I679 HydrophobicContact CE2-CG2 3.96Å; Y668-I679 HydrophobicContact CG-CB 3.72Å; Y668-I679 HydrophobicContact CG-CD1 4.4Å; Y668-I679 HydrophobicContact CG-CG2 3.62Å; Y668-T681 WeakPolarHBondContact CA-O 3.38Å
669	N	94.2	Very high	93	Very high	39 Å²	39	52.1 Å²	52.1	21%	0.209	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-38.3	177	-178.2	79.5	0	0	0	113	L526 F629 Q632 R680 T681	L526-N669 HydrophobicContact CD2-CB 4.37Å; F629-N669 WeakPolarHBondContact CZ-OD1 3.43Å; Q632-N669 VanDerWaalsContact NE2-C 3.26Å; Q632-N669 PolarHBondContact NE2-O 3.35Å; N669-R680 PolarHBondContact N-O 2.57Å; N669-T681 HydrophobicContact CB-CG2 4.27Å; N669-T681 PolarHBondContact N-O 3.28Å
670	E	91.3	Very high	93	Very high	61 Å²	61	54.2 Å²	54.2	29%	0.285	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.4	-170.8	-174.2	-175	179.9	0	0	112	V672 I679 R680	E670-V672 HydrophobicContact CG-CG2 4.07Å; E670-I679 WeakPolarHBondContact O-CA 3.49Å; E670-R680 HydrophobicContact CB-CB 4.36Å; E670-R680 PolarHBondContact N-O 3.04Å; E670-R680 PolarHBondContact O-N 3.42Å; E670-R680 IonicContact OE1-CZ 3.65Å; E670-R680 IonicContact OE1-NH2 2.95Å; E670-R680 PolarHBondContact OE1-NH2 3.3Å; E670-R680 IonicContact OE2-CZ 3.28Å; E670-R680 IonicContact OE2-NE 3.44Å; E670-R680 PolarHBondContact OE2-NE 3.26Å; E670-R680 IonicContact OE2-NH2 3.48Å; E670-R680 PolarHBondContact OE2-NH2 2.85Å
671	F	91	Very high	93.2	Very high	10 Å²	10	49.1 Å²	49.1	4%	0.044	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.6	169.4	-169.8	-72.4	0	0	0	109.2	V385 T644 Q649 V651 Y668 L673 N677 I679	V385-F671 HydrophobicContact CB-CD1 4.42Å; V385-F671 HydrophobicContact CB-CG 4.44Å; V385-F671 HydrophobicContact CG1-CB 3.92Å; V385-F671 HydrophobicContact CG1-CD1 3.38Å; V385-F671 HydrophobicContact CG1-CD2 4.45Å; V385-F671 HydrophobicContact CG1-CE1 3.95Å; V385-F671 HydrophobicContact CG1-CG 3.67Å; V385-F671 HydrophobicContact CG2-CB 4.35Å; V385-F671 HydrophobicContact CG2-CD1 4.13Å; V385-F671 HydrophobicContact CG2-CD2 3.78Å; V385-F671 HydrophobicContact CG2-CE1 4.35Å; V385-F671 HydrophobicContact CG2-CE2 4Å; V385-F671 HydrophobicContact CG2-CG 3.83Å; V385-F671 HydrophobicContact CG2-CZ 4.28Å; T644-F671 HydrophobicContact CG2-CE2 4.49Å; Q649-F671 HydrophobicContact CB-CE2 4.16Å; Q649-F671 HydrophobicContact CB-CZ 4.5Å; V651-F671 HydrophobicContact CG1-CD2 4.22Å; V651-F671 HydrophobicContact CG1-CE2 3.43Å; V651-F671 VanDerWaalsContact CG1-CE2 3.43Å; V651-F671 HydrophobicContact CG1-CZ 3.96Å; Y668-F671 HydrophobicContact CE2-CB 4.33Å; F671-L673 HydrophobicContact CE1-CB 4.3Å; F671-N677 HydrophobicContact CE1-CB 4.06Å; F671-N677 HydrophobicContact CZ-CB 3.69Å; F671-I679 HydrophobicContact CD2-CG2 4.34Å
672	V	89.1	Confident	93.4	Very high	19 Å²	19	45.4 Å²	45.4	12%	0.115	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	110.9	-175.5	-174.6	0	0	0	0	109.1	E670 T674 Y678 R680	E670-V672 HydrophobicContact CG-CG2 4.07Å; V672-T674 HydrophobicContact CG1-CG2 4.06Å; V672-Y678 PolarHBondContact N-O 2.85Å; V672-Y678 PolarHBondContact O-N 2.84Å; V672-R680 HydrophobicContact CG2-CB 3.89Å
673	L	85.4	Confident	93.6	Very high	69 Å²	69	39.7 Å²	39.7	36%	0.361	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	111	-179.5	-162	163.7	0	0	0	110	L389 F671	L389-L673 HydrophobicContact CD2-CB 4.22Å; L389-L673 HydrophobicContact CD2-CD2 4.13Å; F671-L673 HydrophobicContact CE1-CB 4.3Å
674	T	84.1	Confident	93.7	Very high	71 Å²	71	41.1 Å²	41.1	44%	0.436	21%	0.21	S	C	.	.	S	Bend	trans	-131.6	-153.5	173.4	67.1	0	0	0	0	109.5	V672 K676 Y678	V672-T674 HydrophobicContact CG1-CG2 4.06Å; T674-K676 CarbonylContact C-O 3.58Å; T674-K676 PolarHBondContact N-O 3.48Å; T674-K676 PolarHBondContact O-N 3.5Å; T674-K676 PolarHBondContact OG1-N 3.26Å; T674-K676 PolarHBondContact OG1-O 3.28Å; T674-Y678 WeakPolarHBondContact OG1-CE2 3.37Å
675	T	85.8	Confident	93.7	Very high	153 Å²	153	36.5 Å²	36.5	94%	0.939	19%	0.188	S	C	*	.	S	Bend	trans	-55.3	-29.9	168	-39.4	0	0	0	0	112.3
676	K	90.3	Very high	93.6	Very high	112 Å²	112	40.3 Å²	40.3	49%	0.487	21%	0.205	S	C	.	.	S	Bend	trans	-122.4	153.3	167.3	-65.7	179.8	-178.7	175.9	0	109.2	T674 Y678	T674-K676 CarbonylContact C-O 3.58Å; T674-K676 PolarHBondContact N-O 3.48Å; T674-K676 PolarHBondContact O-N 3.5Å; T674-K676 PolarHBondContact OG1-N 3.26Å; T674-K676 PolarHBondContact OG1-O 3.28Å; K676-Y678 HydrophobicContact CB-CD2 4.44Å; K676-Y678 HydrophobicContact CB-CE2 3.75Å; K676-Y678 WeakPolarHBondContact O-CD2 3.32Å
677	N	92.8	Very high	93.5	Very high	46 Å²	46	41 Å²	41	25%	0.246	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	126.1	173.1	-61.4	-30.3	0	0	0	109.4	V650 V651 Q652 F671	V650-N677 WeakPolarHBondContact O-CB 3.46Å; V650-N677 PolarHBondContact O-ND2 3.46Å; V651-N677 WeakPolarHBondContact CA-O 3.49Å; V651-N677 HydrophobicContact CG1-CB 3.95Å; Q652-N677 PolarHBondContact N-O 3.26Å; F671-N677 HydrophobicContact CE1-CB 4.06Å; F671-N677 HydrophobicContact CZ-CB 3.69Å
678	Y	94.6	Very high	93.3	Very high	43 Å²	43	44.8 Å²	44.8	17%	0.169	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.1	176.7	-63.6	-79.5	0	0	0	111	Q652 P655 V672 T674 K676	Q652-Y678 HydrophobicContact CB-CD1 3.95Å; Q652-Y678 HydrophobicContact CB-CE1 4.06Å; Q652-Y678 CarbonylContact O-C 3.55Å; Q652-Y678 VanDerWaalsContact O-CA 3.24Å; Q652-Y678 WeakPolarHBondContact O-CA 3.44Å; P655-Y678 HydrophobicContact CG-CE1 4.3Å; V672-Y678 PolarHBondContact N-O 2.85Å; V672-Y678 PolarHBondContact O-N 2.84Å; T674-Y678 WeakPolarHBondContact OG1-CE2 3.37Å; K676-Y678 HydrophobicContact CB-CD2 4.44Å; K676-Y678 HydrophobicContact CB-CE2 3.75Å; K676-Y678 WeakPolarHBondContact O-CD2 3.32Å
679	I	95.9	Very high	93.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.8	165.4	49.5	169.9	0	0	0	108.9	A634 V651 Q652 L653 H654 V666 Y668 E670 F671 C682	A634-I679 HydrophobicContact CB-CD1 3.95Å; V651-I679 HydrophobicContact CB-CG2 4.09Å; V651-I679 HydrophobicContact CG1-CG2 4.22Å; V651-I679 HydrophobicContact CG2-CD1 3.99Å; V651-I679 HydrophobicContact CG2-CG1 4.07Å; V651-I679 HydrophobicContact CG2-CG2 3.89Å; Q652-I679 WeakPolarHBondContact O-CG1 3.45Å; Q652-I679 PolarHBondContact O-N 3.37Å; L653-I679 HydrophobicContact CD2-CD1 3.95Å; L653-I679 HydrophobicContact CD2-CG1 4.18Å; H654-I679 VanDerWaalsContact CB-O 3.24Å; H654-I679 WeakPolarHBondContact CB-O 3.46Å; H654-I679 PolarHBondContact N-O 2.75Å; V666-I679 HydrophobicContact CG2-CD1 3.62Å; Y668-I679 HydrophobicContact CD1-CB 4.1Å; Y668-I679 HydrophobicContact CD1-CD1 4.08Å; Y668-I679 HydrophobicContact CD1-CG2 3.72Å; Y668-I679 HydrophobicContact CD2-CB 4.1Å; Y668-I679 HydrophobicContact CD2-CG2 3.73Å; Y668-I679 HydrophobicContact CE1-CG2 3.93Å; Y668-I679 HydrophobicContact CE2-CG2 3.96Å; Y668-I679 HydrophobicContact CG-CB 3.72Å; Y668-I679 HydrophobicContact CG-CD1 4.4Å; Y668-I679 HydrophobicContact CG-CG2 3.62Å; E670-I679 WeakPolarHBondContact O-CA 3.49Å; F671-I679 HydrophobicContact CD2-CG2 4.34Å; I679-C682 PolarHBondContact O-SG 2.9Å; I679-C682 VanDerWaalsContact O-SG 3.34Å
680	R	94.8	Very high	93.4	Very high	62 Å²	62	42.8 Å²	42.8	23%	0.234	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.3	-172.5	-176.3	162.9	69.1	-176.5	3.8	111	H654 N669 E670 V672	H654-R680 HydrophobicContact CB-CB 3.91Å; H654-R680 HydrophobicContact CB-CG 4.24Å; N669-R680 PolarHBondContact N-O 2.57Å; E670-R680 HydrophobicContact CB-CB 4.36Å; E670-R680 PolarHBondContact N-O 3.04Å; E670-R680 PolarHBondContact O-N 3.42Å; E670-R680 IonicContact OE1-CZ 3.65Å; E670-R680 IonicContact OE1-NH2 2.95Å; E670-R680 PolarHBondContact OE1-NH2 3.3Å; E670-R680 IonicContact OE2-CZ 3.28Å; E670-R680 IonicContact OE2-NE 3.44Å; E670-R680 PolarHBondContact OE2-NE 3.26Å; E670-R680 IonicContact OE2-NH2 3.48Å; E670-R680 PolarHBondContact OE2-NH2 2.85Å; V672-R680 HydrophobicContact CG2-CB 3.89Å
681	T	96.7	Very high	93.5	Very high	27 Å²	27	41 Å²	41	17%	0.166	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60	78.5	-171.8	-48.2	0	0	0	0	110.3	L526 D555 H556 L559 Y668 N669	L526-T681 HydrophobicContact CD2-CG2 4.22Å; D555-T681 HydrophobicContact CB-CG2 3.76Å; D555-T681 WeakPolarHBondContact OD2-CA 3.33Å; H556-T681 PolarHBondContact CE1-O 3.12Å; L559-T681 HydrophobicContact CD1-CG2 4.12Å; Y668-T681 WeakPolarHBondContact CA-O 3.38Å; N669-T681 HydrophobicContact CB-CG2 4.27Å; N669-T681 PolarHBondContact N-O 3.28Å
682	C	97.9	Very high	93.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	143.4	-172.4	-62.2	0	0	0	0	111.5	G554 D555 L653 L659 L667 I679	G554-C682 CarbonylContact C-O 3.46Å; G554-C682 WeakPolarHBondContact CA-O 3.46Å; D555-C682 PolarHBondContact N-O 3Å; D555-C682 PolarHBondContact OD2-N 2.85Å; L653-C682 HydrophobicContact CD2-CB 4.09Å; L659-C682 HydrophobicContact CD1-CB 3.94Å; L667-C682 CarbonylContact O-C 3.54Å; L667-C682 VanDerWaalsContact O-CA 3.3Å; L667-C682 WeakPolarHBondContact O-CA 3.37Å; I679-C682 PolarHBondContact O-SG 2.9Å; I679-C682 VanDerWaalsContact O-SG 3.34Å
683	T	98.2	Very high	94	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.4	175.5	-73.2	0	0	0	0	110.4	D553 H556 R622 L625 V666 L667 V685	D553-T683 CarbonylContact O-C 3.55Å; D553-T683 VanDerWaalsContact O-CA 3.32Å; D553-T683 WeakPolarHBondContact O-CA 3.43Å; D553-T683 WeakPolarHBondContact O-CG2 3.38Å; H556-T683 PolarHBondContact N-OG1 3.45Å; H556-T683 PolarHBondContact ND1-OG1 3.07Å; R622-T683 HydrophobicContact CG-CG2 3.97Å; L625-T683 HydrophobicContact CD1-CG2 4.01Å; V666-T683 WeakPolarHBondContact CA-O 3.45Å; L667-T683 PolarHBondContact N-O 3.46Å; L667-T683 PolarHBondContact O-N 3.23Å; T683-V685 PolarHBondContact O-N 2.88Å
684	D	97.8	Very high	94.4	Very high	34 Å²	34	45.3 Å²	45.3	18%	0.182	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	130.4	173.6	179.3	-39.8	0	0	0	109.6	D553 R622 P663	D553-D684 PolarHBondContact O-N 3.19Å; R622-D684 IonicContact CZ-OD1 3.25Å; R622-D684 PolarHBondContact NE-O 2.99Å; R622-D684 PolarHBondContact NH2-O 3.49Å; R622-D684 IonicContact NH2-OD1 2.79Å; R622-D684 PolarHBondContact NH2-OD1 3.02Å; P663-D684 HydrophobicContact CB-CB 3.92Å; P663-D684 HydrophobicContact CG-CB 3.86Å
685	V	96.6	Very high	94.9	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	23%	0.231	C	C	.	.			trans	-131.3	150.6	174.7	-67	0	0	0	0	111.2	V626 W665 L667 T683 W689	V626-V685 HydrophobicContact CG2-CB 4.48Å; V626-V685 HydrophobicContact CG2-CG1 4.04Å; W665-V685 HydrophobicContact CB-CG2 4.03Å; W665-V685 VanDerWaalsContact CB-O 3.31Å; W665-V685 WeakPolarHBondContact CB-O 3.42Å; W665-V685 PolarHBondContact O-N 3.3Å; W665-V685 VanDerWaalsContact O-N 3.14Å; L667-V685 HydrophobicContact CB-CG1 3.64Å; L667-V685 HydrophobicContact CB-CG2 4.18Å; L667-V685 HydrophobicContact CD1-CG1 4.14Å; T683-V685 PolarHBondContact O-N 2.88Å; V685-W689 HydrophobicContact CB-CE3 4.17Å; V685-W689 HydrophobicContact CB-CZ3 4.23Å; V685-W689 HydrophobicContact CG1-CE3 4.49Å; V685-W689 HydrophobicContact CG1-CZ3 4.39Å
686	K	95.9	Very high	95.3	Very high	84 Å²	84	42.6 Å²	42.6	37%	0.365	21%	0.206	S	C	.	.			trans	-87.9	136.6	173.6	-60.8	-175.1	-173.4	175.4	0	110.9	E688 W689	K686-E688 PolarHBondContact O-N 3.44Å; K686-W689 HydrophobicContact CB-CD2 3.81Å; K686-W689 HydrophobicContact CB-CE3 4.22Å; K686-W689 HydrophobicContact CB-CG 4.22Å; K686-W689 HydrophobicContact CB-CH2 4.27Å; K686-W689 HydrophobicContact CB-CZ2 3.84Å; K686-W689 HydrophobicContact CB-CZ3 4.44Å; K686-W689 HydrophobicContact CD-CH2 4.22Å; K686-W689 HydrophobicContact CD-CZ2 3.46Å; K686-W689 VanDerWaalsContact CD-CZ2 3.46Å; K686-W689 HydrophobicContact CG-CD2 4.39Å; K686-W689 HydrophobicContact CG-CH2 3.83Å; K686-W689 HydrophobicContact CG-CZ2 3.5Å; K686-W689 VanDerWaalsContact CG-CZ2 3.5Å; K686-W689 HydrophobicContact CG-CZ3 4.39Å; K686-W689 WeakPolarHBondContact O-CB 3.37Å; K686-W689 PolarHBondContact O-N 3.41Å
687	P	95.1	Very high	95.5	Very high	14 Å²	14	37.3 Å²	37.3	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-27.2	178.8	22.1	-32.8	0	0	0	113.5	W665 W689 L690 L712 I715	W665-P687 HydrophobicContact CD2-CB 4.14Å; W665-P687 HydrophobicContact CG-CB 4.25Å; W665-P687 HydrophobicContact CG-CG 4.43Å; W665-P687 HydrophobicContact CZ2-CB 4.24Å; P687-W689 PolarHBondContact O-N 2.91Å; P687-L690 WeakPolarHBondContact O-CB 3.45Å; P687-L690 PolarHBondContact O-N 3.26Å; P687-L712 HydrophobicContact CB-CD2 3.89Å; P687-I715 HydrophobicContact CB-CD1 3.53Å; P687-I715 HydrophobicContact CG-CD1 3.36Å
688	E	95.8	Very high	95.6	Very high	79 Å²	79	35.3 Å²	35.3	37%	0.369	17%	0.172	S	C	.	.	H	α-helix	trans	-58.1	-32.6	174.4	-60.4	170.5	-161.6	0	0	112.9	K686 K692 I715	K686-E688 PolarHBondContact O-N 3.44Å; E688-K692 WeakPolarHBondContact O-CB 3.06Å; E688-K692 WeakPolarHBondContact O-CG 3.44Å; E688-K692 PolarHBondContact O-N 3.38Å; E688-I715 HydrophobicContact CB-CG2 4.42Å; E688-I715 HydrophobicContact CG-CG2 3.82Å
689	W	95.9	Very high	95.5	Very high	12 Å²	12	37.9 Å²	37.9	5%	0.045	19%	0.186	C	C	.	.	H	α-helix	trans	-74.3	-33.5	-179.6	-53.5	-20.9	0	0	0	111.5	L619 R622 Q623 V626 V685 K686 P687 V691 K692 I693	L619-W689 HydrophobicContact CD1-CH2 3.8Å; L619-W689 HydrophobicContact CD1-CZ2 3.29Å; L619-W689 HydrophobicContact CG-CZ2 4.3Å; R622-W689 HydrophobicContact CB-CH2 4.17Å; R622-W689 HydrophobicContact CB-CZ3 3.75Å; Q623-W689 HydrophobicContact CG-CD2 3.69Å; Q623-W689 HydrophobicContact CG-CE3 4.02Å; Q623-W689 HydrophobicContact CG-CG 3.99Å; Q623-W689 HydrophobicContact CG-CZ2 4.39Å; Q623-W689 HydrophobicContact CG-CZ3 4.47Å; V626-W689 HydrophobicContact CG2-CE3 4.4Å; V685-W689 HydrophobicContact CB-CE3 4.17Å; V685-W689 HydrophobicContact CB-CZ3 4.23Å; V685-W689 HydrophobicContact CG1-CE3 4.49Å; V685-W689 HydrophobicContact CG1-CZ3 4.39Å; K686-W689 HydrophobicContact CB-CD2 3.81Å; K686-W689 HydrophobicContact CB-CE3 4.22Å; K686-W689 HydrophobicContact CB-CG 4.22Å; K686-W689 HydrophobicContact CB-CH2 4.27Å; K686-W689 HydrophobicContact CB-CZ2 3.84Å; K686-W689 HydrophobicContact CB-CZ3 4.44Å; K686-W689 HydrophobicContact CD-CH2 4.22Å; K686-W689 HydrophobicContact CD-CZ2 3.46Å; K686-W689 VanDerWaalsContact CD-CZ2 3.46Å; K686-W689 HydrophobicContact CG-CD2 4.39Å; K686-W689 HydrophobicContact CG-CH2 3.83Å; K686-W689 HydrophobicContact CG-CZ2 3.5Å; K686-W689 VanDerWaalsContact CG-CZ2 3.5Å; K686-W689 HydrophobicContact CG-CZ3 4.39Å; K686-W689 WeakPolarHBondContact O-CB 3.37Å; K686-W689 PolarHBondContact O-N 3.41Å; P687-W689 PolarHBondContact O-N 2.91Å; W689-V691 VanDerWaalsContact C-N 3.34Å; W689-V691 PolarHBondContact O-N 3.09Å; W689-K692 PolarHBondContact O-N 3.33Å; W689-I693 HydrophobicContact CB-CD1 4.05Å; W689-I693 WeakPolarHBondContact O-CB 3.44Å; W689-I693 VanDerWaalsContact O-CG1 3.3Å; W689-I693 WeakPolarHBondContact O-CG1 3.28Å; W689-I693 PolarHBondContact O-N 2.92Å
690	L	95.9	Very high	95.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.2	-46.7	178.7	-57.4	179.1	0	0	0	110.8	V626 V633 W665 P687 A694 Y698	V626-L690 HydrophobicContact CG1-CD2 3.87Å; V626-L690 HydrophobicContact CG2-CD2 4.43Å; V633-L690 HydrophobicContact CG1-CD1 3.95Å; V633-L690 HydrophobicContact CG1-CD2 4.48Å; V633-L690 HydrophobicContact CG2-CD2 3.93Å; W665-L690 HydrophobicContact CD2-CD1 4.26Å; W665-L690 HydrophobicContact CE3-CD1 3.56Å; W665-L690 HydrophobicContact CH2-CD1 4.48Å; W665-L690 HydrophobicContact CZ3-CD1 3.69Å; P687-L690 WeakPolarHBondContact O-CB 3.45Å; P687-L690 PolarHBondContact O-N 3.26Å; L690-A694 CarbonylContact O-C 3.57Å; L690-A694 PolarHBondContact O-N 3.03Å; L690-Y698 HydrophobicContact CB-CD1 4.23Å; L690-Y698 HydrophobicContact CB-CD2 3.78Å; L690-Y698 HydrophobicContact CB-CE1 4.08Å; L690-Y698 HydrophobicContact CB-CE2 3.64Å; L690-Y698 HydrophobicContact CB-CG 4.09Å; L690-Y698 HydrophobicContact CD1-CE1 3.94Å; L690-Y698 HydrophobicContact CD1-CE2 4.48Å; L690-Y698 HydrophobicContact CD2-CE2 4.04Å; L690-Y698 HydrophobicContact CG-CE2 4.25Å; L690-Y698 WeakPolarHBondContact O-CD2 3.32Å
691	V	95.1	Very high	95.1	Very high	23 Å²	23	40.6 Å²	40.6	14%	0.139	21%	0.211	C	C	.	.	H	α-helix	trans	-68.8	-39.1	178.8	-177.3	0	0	0	0	111.8	W689 P695 L712 I716	W689-V691 VanDerWaalsContact C-N 3.34Å; W689-V691 PolarHBondContact O-N 3.09Å; V691-P695 WeakPolarHBondContact O-CA 3.42Å; V691-P695 WeakPolarHBondContact O-CB 3.23Å; V691-L712 HydrophobicContact CG2-CD2 3.76Å; V691-I716 HydrophobicContact CG1-CD1 4.1Å; V691-I716 HydrophobicContact CG1-CG1 3.64Å; V691-I716 HydrophobicContact CG2-CD1 4.34Å; V691-I716 HydrophobicContact CG2-CG1 4.19Å
692	K	94.3	Very high	94.8	Very high	132 Å²	132	42.9 Å²	42.9	57%	0.574	22%	0.222	S	C	*	.	H	α-helix	trans	-75.1	-41.5	-178.4	-74.4	179.1	176.3	-175.5	0	113.5	E688 W689	E688-K692 WeakPolarHBondContact O-CB 3.06Å; E688-K692 WeakPolarHBondContact O-CG 3.44Å; E688-K692 PolarHBondContact O-N 3.38Å; W689-K692 PolarHBondContact O-N 3.33Å
693	I	94.8	Very high	94.5	Very high	48 Å²	48	43.1 Å²	43.1	25%	0.246	22%	0.223	C	C	.	.	H	α-helix	trans	-87.7	-37.4	-172.3	-62.5	173.9	0	0	0	111.1	F513 Q623 V626 T627 W689	F513-I693 HydrophobicContact CE1-CD1 4.41Å; F513-I693 HydrophobicContact CZ-CD1 4.17Å; Q623-I693 HydrophobicContact CB-CD1 4.07Å; Q623-I693 HydrophobicContact CG-CD1 4.47Å; Q623-I693 WeakPolarHBondContact O-CD1 3.41Å; V626-I693 HydrophobicContact CB-CD1 3.99Å; V626-I693 HydrophobicContact CG1-CB 4.11Å; V626-I693 HydrophobicContact CG1-CD1 4.07Å; V626-I693 HydrophobicContact CG1-CG2 4.15Å; T627-I693 HydrophobicContact CG2-CG2 3.73Å; W689-I693 HydrophobicContact CB-CD1 4.05Å; W689-I693 WeakPolarHBondContact O-CB 3.44Å; W689-I693 VanDerWaalsContact O-CG1 3.3Å; W689-I693 WeakPolarHBondContact O-CG1 3.28Å; W689-I693 PolarHBondContact O-N 2.92Å
694	A	95.1	Very high	94.2	Very high	9 Å²	9	44.9 Å²	44.9	7%	0.074	24%	0.235	C	C	.	.			trans	-128.1	57.9	-177.1	0	0	0	0	0	112.3	F630 L690 Q696 Y697 Y698	F630-A694 HydrophobicContact CB-CB 3.66Å; F630-A694 HydrophobicContact CD1-CB 3.97Å; F630-A694 HydrophobicContact CD2-CB 3.62Å; F630-A694 HydrophobicContact CE2-CB 4.24Å; F630-A694 HydrophobicContact CG-CB 3.48Å; F630-A694 VanDerWaalsContact CG-CB 3.48Å; L690-A694 CarbonylContact O-C 3.57Å; L690-A694 PolarHBondContact O-N 3.03Å; A694-Q696 VanDerWaalsContact C-N 3.29Å; A694-Q696 PolarHBondContact O-N 3.2Å; A694-Y697 PolarHBondContact O-N 3.42Å; A694-Y697 VanDerWaalsContact O-N 3.16Å; A694-Y698 HydrophobicContact CB-CD2 4.14Å; A694-Y698 HydrophobicContact CB-CE2 4.47Å; A694-Y698 WeakPolarHBondContact O-CD2 3.42Å; A694-Y698 PolarHBondContact O-N 2.76Å
695	P	94.5	Very high	93.9	Very high	79 Å²	79	49.9 Å²	49.9	51%	0.513	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-36.2	-176.1	23.9	-33.7	0	0	0	113.1	V691 Y697 Y698 E699	V691-P695 WeakPolarHBondContact O-CA 3.42Å; V691-P695 WeakPolarHBondContact O-CB 3.23Å; P695-Y697 VanDerWaalsContact C-N 3.31Å; P695-Y697 PolarHBondContact O-N 3.43Å; P695-Y698 CarbonylContact O-C 3.58Å; P695-Y698 VanDerWaalsContact O-C 3.29Å; P695-Y698 PolarHBondContact O-N 2.91Å; P695-E699 PolarHBondContact O-N 3.2Å
696	Q	93.4	Very high	93.7	Very high	87 Å²	87	50.7 Å²	50.7	41%	0.407	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-39.2	178.3	-169.1	-171.2	5	0	0	111.9	N476 Y477 A694	N476-Q696 PolarHBondContact OD1-NE2 2.79Å; Y477-Q696 HydrophobicContact CD1-CG 4.11Å; Y477-Q696 HydrophobicContact CE1-CG 4.21Å; A694-Q696 VanDerWaalsContact C-N 3.29Å; A694-Q696 PolarHBondContact O-N 3.2Å
697	Y	94.4	Very high	93.5	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.008	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-42.8	176.5	-171.7	-102.8	0	0	0	111.4	R384 Y477 F630 M631 K646 A694 P695 E699	R384-Y697 PolarHBondContact NH1-OH 3.09Å; R384-Y697 VanDerWaalsContact NH1-OH 3.16Å; R384-Y697 PolarHBondContact NH2-OH 3.12Å; Y477-Y697 HydrophobicContact CD1-CD2 4.26Å; Y477-Y697 AromaticContact CD2-CD2 3.81Å; Y477-Y697 HydrophobicContact CD2-CD2 3.81Å; Y477-Y697 HydrophobicContact CD2-CE2 4.29Å; Y477-Y697 HydrophobicContact CE1-CD2 4.13Å; Y477-Y697 AromaticContact CE2-CD2 3.65Å; Y477-Y697 HydrophobicContact CE2-CD2 3.65Å; Y477-Y697 AromaticContact CE2-CE2 3.95Å; Y477-Y697 HydrophobicContact CE2-CE2 3.95Å; Y477-Y697 HydrophobicContact CG-CD2 4.13Å; Y477-Y697 AromaticContact CZ-CD2 3.86Å; F630-Y697 AromaticContact CD2-CD1 3.94Å; F630-Y697 HydrophobicContact CD2-CD1 3.94Å; F630-Y697 HydrophobicContact CD2-CD2 4.48Å; F630-Y697 AromaticContact CD2-CG 3.77Å; F630-Y697 HydrophobicContact CD2-CG 3.77Å; F630-Y697 HydrophobicContact CE2-CD1 4.45Å; F630-Y697 HydrophobicContact CE2-CD2 4.2Å; F630-Y697 AromaticContact CE2-CG 3.84Å; F630-Y697 HydrophobicContact CE2-CG 3.84Å; M631-Y697 HydrophobicContact CG-CD1 4.36Å; M631-Y697 HydrophobicContact CG-CD2 3.83Å; M631-Y697 HydrophobicContact CG-CE1 4.08Å; M631-Y697 HydrophobicContact CG-CE2 3.56Å; M631-Y697 HydrophobicContact CG-CG 4.23Å; M631-Y697 HydrophobicContact SD-CE2 4.37Å; K646-Y697 HydrophobicContact CD-CE1 4.21Å; K646-Y697 HydrophobicContact CD-CE2 3.8Å; K646-Y697 WeakPolarHBondContact CE-O 3.32Å; K646-Y697 HydrophobicContact CG-CE1 4.27Å; K646-Y697 PolarHBondContact NZ-O 2.9Å; A694-Y697 PolarHBondContact O-N 3.42Å; A694-Y697 VanDerWaalsContact O-N 3.16Å; P695-Y697 VanDerWaalsContact C-N 3.31Å; P695-Y697 PolarHBondContact O-N 3.43Å; Y697-E699 PolarHBondContact O-N 3.1Å; Y697-E699 VanDerWaalsContact O-N 3.15Å
698	Y	95.1	Very high	93.4	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.016	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	43.6	179	-70.7	-83.2	0	0	0	112.6	F630 V633 A645 L690 A694 P695 M700 F703 L712	F630-Y698 HydrophobicContact CB-CE2 4.13Å; F630-Y698 WeakPolarHBondContact O-CE2 3.43Å; F630-Y698 PolarHBondContact O-OH 3.32Å; V633-Y698 WeakPolarHBondContact CB-OH 3.38Å; V633-Y698 WeakPolarHBondContact CG2-OH 3.38Å; A645-Y698 HydrophobicContact CB-CE1 4.43Å; L690-Y698 HydrophobicContact CB-CD1 4.23Å; L690-Y698 HydrophobicContact CB-CD2 3.78Å; L690-Y698 HydrophobicContact CB-CE1 4.08Å; L690-Y698 HydrophobicContact CB-CE2 3.64Å; L690-Y698 HydrophobicContact CB-CG 4.09Å; L690-Y698 HydrophobicContact CD1-CE1 3.94Å; L690-Y698 HydrophobicContact CD1-CE2 4.48Å; L690-Y698 HydrophobicContact CD2-CE2 4.04Å; L690-Y698 HydrophobicContact CG-CE2 4.25Å; L690-Y698 WeakPolarHBondContact O-CD2 3.32Å; A694-Y698 HydrophobicContact CB-CD2 4.14Å; A694-Y698 HydrophobicContact CB-CE2 4.47Å; A694-Y698 WeakPolarHBondContact O-CD2 3.42Å; A694-Y698 PolarHBondContact O-N 2.76Å; P695-Y698 CarbonylContact O-C 3.58Å; P695-Y698 VanDerWaalsContact O-C 3.29Å; P695-Y698 PolarHBondContact O-N 2.91Å; Y698-M700 WeakPolarHBondContact O-CE 3.25Å; Y698-F703 HydrophobicContact CD1-CD2 4.33Å; Y698-F703 AromaticContact CD1-CE2 3.67Å; Y698-F703 HydrophobicContact CD1-CE2 3.67Å; Y698-F703 HydrophobicContact CD1-CZ 4.48Å; Y698-F703 AromaticContact CE1-CE2 3.89Å; Y698-F703 HydrophobicContact CE1-CE2 3.89Å; Y698-F703 HydrophobicContact CE1-CZ 4.42Å; Y698-L712 HydrophobicContact CD1-CD1 3.75Å; Y698-L712 HydrophobicContact CE1-CD1 4.23Å
699	E	92.8	Very high	93.3	Very high	96 Å²	96	45.3 Å²	45.3	45%	0.449	24%	0.238	S	C	.	.			trans	-81.3	117.2	175.2	-165.6	-165.6	168.5	0	0	110.5	P695 Y697 S701 N702 F703	P695-E699 PolarHBondContact O-N 3.2Å; Y697-E699 PolarHBondContact O-N 3.1Å; Y697-E699 VanDerWaalsContact O-N 3.15Å; E699-S701 WeakPolarHBondContact CG-OG 3.43Å; E699-S701 PolarHBondContact O-N 2.92Å; E699-S701 PolarHBondContact OE1-OG 3.24Å; E699-N702 PolarHBondContact O-N 2.96Å; E699-N702 PolarHBondContact O-OD1 3.09Å; E699-N702 PolarHBondContact OE2-ND2 2.79Å; E699-F703 PolarHBondContact O-N 3.22Å; E699-F703 VanDerWaalsContact O-N 3.14Å
700	M	91.1	Very high	93.1	Very high	29 Å²	29	52.4 Å²	52.4	14%	0.143	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-20.5	-172.6	-63.5	-61	106.9	0	0	114	Y698 N702 F703 K709 L712 E713 I716	Y698-M700 WeakPolarHBondContact O-CE 3.25Å; M700-N702 VanDerWaalsContact C-N 3.34Å; M700-F703 HydrophobicContact CE-CB 4.4Å; M700-F703 HydrophobicContact CE-CD2 4.3Å; M700-F703 HydrophobicContact CE-CG 4.38Å; M700-K709 WeakPolarHBondContact O-CE 3.44Å; M700-K709 PolarHBondContact O-NZ 3.48Å; M700-K709 HydrophobicContact SD-CG 4.07Å; M700-L712 HydrophobicContact CE-CB 3.77Å; M700-L712 HydrophobicContact CE-CD1 3.81Å; M700-L712 HydrophobicContact CE-CG 4.42Å; M700-L712 HydrophobicContact SD-CB 3.76Å; M700-E713 HydrophobicContact CB-CG 4.41Å; M700-E713 HydrophobicContact CG-CG 3.99Å; M700-E713 HydrophobicContact SD-CG 3.9Å; M700-I716 HydrophobicContact CE-CD1 4.18Å; M700-I716 HydrophobicContact CG-CD1 3.43Å; M700-I716 VanDerWaalsContact CG-CD1 3.43Å; M700-I716 HydrophobicContact SD-CD1 4.07Å
701	S	90.9	Very high	93	Very high	91 Å²	91	54.3 Å²	54.3	64%	0.636	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-40.7	176.8	64.1	0	0	0	0	111.5	E699	E699-S701 WeakPolarHBondContact CG-OG 3.43Å; E699-S701 PolarHBondContact O-N 2.92Å; E699-S701 PolarHBondContact OE1-OG 3.24Å
702	N	90.8	Very high	92.9	Very high	74 Å²	74	53.2 Å²	53.2	40%	0.396	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-7	-176.8	71.6	43	0	0	0	113.8	K646 E699 M700	K646-N702 PolarHBondContact NZ-OD1 3.46Å; E699-N702 PolarHBondContact O-N 2.96Å; E699-N702 PolarHBondContact O-OD1 3.09Å; E699-N702 PolarHBondContact OE2-ND2 2.79Å; M700-N702 VanDerWaalsContact C-N 3.34Å
703	F	91.1	Very high	92.9	Very high	5 Å²	5	50.7 Å²	50.7	2%	0.022	26%	0.258	C	S	.	.	S	Bend	trans	-73	132.9	179.4	-151.3	-82.7	0	0	0	111.5	A645 K646 Y698 E699 M700 A708 K709 L712	A645-F703 HydrophobicContact CB-CZ 4.22Å; K646-F703 HydrophobicContact CG-CD2 4.07Å; K646-F703 HydrophobicContact CG-CE2 3.94Å; Y698-F703 HydrophobicContact CD1-CD2 4.33Å; Y698-F703 AromaticContact CD1-CE2 3.67Å; Y698-F703 HydrophobicContact CD1-CE2 3.67Å; Y698-F703 HydrophobicContact CD1-CZ 4.48Å; Y698-F703 AromaticContact CE1-CE2 3.89Å; Y698-F703 HydrophobicContact CE1-CE2 3.89Å; Y698-F703 HydrophobicContact CE1-CZ 4.42Å; E699-F703 PolarHBondContact O-N 3.22Å; E699-F703 VanDerWaalsContact O-N 3.14Å; M700-F703 HydrophobicContact CE-CB 4.4Å; M700-F703 HydrophobicContact CE-CD2 4.3Å; M700-F703 HydrophobicContact CE-CG 4.38Å; F703-A708 HydrophobicContact CE1-CB 4.44Å; F703-K709 HydrophobicContact CB-CD 4.34Å; F703-K709 HydrophobicContact CD1-CB 3.84Å; F703-K709 HydrophobicContact CD1-CD 4.45Å; F703-K709 HydrophobicContact CD1-CG 4.21Å; F703-K709 HydrophobicContact CE1-CB 4.32Å; F703-K709 WeakPolarHBondContact O-CD 3.23Å; F703-K709 PolarHBondContact O-NZ 2.96Å; F703-L712 HydrophobicContact CE2-CD1 4.3Å; F703-L712 HydrophobicContact CZ-CD1 4.19Å
704	P	92.3	Very high	92.8	Very high	37 Å²	37	54.7 Å²	54.7	24%	0.24	28%	0.275	C	S	.	.			trans	-64.8	152.3	-179.5	27.4	-36.2	0	0	0	112.4	C706 K709	P704-C706 PolarHBondContact O-N 3.33Å; P704-K709 WeakPolarHBondContact O-CB 3.35Å; P704-K709 WeakPolarHBondContact O-CD 3.28Å
705	Q	91.6	Very high	92.7	Very high	140 Å²	140	55.1 Å²	55.1	65%	0.654	28%	0.276	S	S	*	.	S	Bend	trans	-72	111.7	178.6	-69.3	-65.9	-13.7	0	0	111.1
706	C	91.8	Very high	92.6	Very high	20 Å²	20	54.2 Å²	54.2	14%	0.135	27%	0.266	C	S	.	.	S	Bend	trans	-156.4	176.5	177.6	59.3	0	0	0	0	111.1	L643 P704 A708 K709 R710	L643-C706 HydrophobicContact CD2-CB 4.34Å; P704-C706 PolarHBondContact O-N 3.33Å; C706-A708 VanDerWaalsContact C-N 3.3Å; C706-A708 PolarHBondContact O-N 3Å; C706-K709 PolarHBondContact O-N 3.32Å; C706-R710 PolarHBondContact O-N 3.07Å
707	E	91.1	Very high	92.5	Very high	46 Å²	46	52.7 Å²	52.7	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-60	-41.3	177	-64.6	-166.3	154	0	0	111.5	E637 R638 K709 R710 Q711	E637-E707 WeakPolarHBondContact OE2-CG 3.47Å; R638-E707 VanDerWaalsContact CD-OE1 3.27Å; R638-E707 WeakPolarHBondContact CD-OE1 3.41Å; R638-E707 IonicContact CZ-OE1 3.49Å; R638-E707 PolarHBondContact N-OE2 3.36Å; R638-E707 IonicContact NE-OE1 2.76Å; R638-E707 PolarHBondContact NE-OE1 3.22Å; E707-K709 VanDerWaalsContact C-N 3.34Å; E707-K709 PolarHBondContact O-N 3.45Å; E707-R710 PolarHBondContact O-N 3.2Å; E707-Q711 PolarHBondContact O-N 3.16Å; E707-Q711 VanDerWaalsContact O-N 3.11Å
708	A	92.9	Very high	92.3	Very high	4 Å²	4	57.9 Å²	57.9	3%	0.033	29%	0.291	C	S	.	.	H	α-helix	trans	-52.3	-46.4	173.5	0	0	0	0	0	113.1	H635 W665 F703 C706 R710 Q711 L712	H635-A708 HydrophobicContact CB-CB 3.78Å; W665-A708 HydrophobicContact CH2-CB 3.42Å; W665-A708 VanDerWaalsContact CH2-CB 3.42Å; W665-A708 HydrophobicContact CZ2-CB 3.84Å; W665-A708 HydrophobicContact CZ3-CB 4.29Å; F703-A708 HydrophobicContact CE1-CB 4.44Å; C706-A708 VanDerWaalsContact C-N 3.3Å; C706-A708 PolarHBondContact O-N 3Å; A708-R710 PolarHBondContact O-N 3.45Å; A708-Q711 PolarHBondContact O-N 3.22Å; A708-L712 VanDerWaalsContact O-CG 3.31Å; A708-L712 WeakPolarHBondContact O-CG 3.44Å; A708-L712 PolarHBondContact O-N 2.96Å
709	K	93.7	Very high	91.9	Very high	13 Å²	13	59.6 Å²	59.6	6%	0.057	30%	0.3	C	S	.	.	H	α-helix	trans	-60.3	-47	178.4	-175.5	174	-179.1	163.4	0	111.8	M700 F703 P704 C706 E707 Q711 L712 E713	M700-K709 WeakPolarHBondContact O-CE 3.44Å; M700-K709 PolarHBondContact O-NZ 3.48Å; M700-K709 HydrophobicContact SD-CG 4.07Å; F703-K709 HydrophobicContact CB-CD 4.34Å; F703-K709 HydrophobicContact CD1-CB 3.84Å; F703-K709 HydrophobicContact CD1-CD 4.45Å; F703-K709 HydrophobicContact CD1-CG 4.21Å; F703-K709 HydrophobicContact CE1-CB 4.32Å; F703-K709 WeakPolarHBondContact O-CD 3.23Å; F703-K709 PolarHBondContact O-NZ 2.96Å; P704-K709 WeakPolarHBondContact O-CB 3.35Å; P704-K709 WeakPolarHBondContact O-CD 3.28Å; C706-K709 PolarHBondContact O-N 3.32Å; E707-K709 VanDerWaalsContact C-N 3.34Å; E707-K709 PolarHBondContact O-N 3.45Å; K709-Q711 VanDerWaalsContact C-N 3.26Å; K709-Q711 PolarHBondContact O-N 3.43Å; K709-L712 PolarHBondContact O-N 3.19Å; K709-E713 WeakPolarHBondContact CE-OE1 3.35Å; K709-E713 HydrophobicContact CG-CG 4.29Å; K709-E713 WeakPolarHBondContact O-CG 3.3Å; K709-E713 PolarHBondContact O-N 3.31Å
710	R	92.8	Very high	91.5	Very high	161 Å²	161	57.4 Å²	57.4	61%	0.608	30%	0.295	S	S	*	.	H	α-helix	trans	-60.1	-39.5	-179.4	-65.6	178.6	-175.6	159.1	1.3	111.5	C706 E707 A708 H714	C706-R710 PolarHBondContact O-N 3.07Å; E707-R710 PolarHBondContact O-N 3.2Å; A708-R710 PolarHBondContact O-N 3.45Å; R710-H714 PolarHBondContact O-N 3.03Å; R710-H714 VanDerWaalsContact O-N 3.09Å
711	Q	93.3	Very high	91	Very high	41 Å²	41	59 Å²	59	19%	0.192	31%	0.309	C	S	.	.	H	α-helix	trans	-67.8	-43.7	177.1	-167.7	-179.6	10.4	0	0	111.7	H635 E664 E707 A708 K709 H714 I715	H635-Q711 PolarHBondContact NE2-OE1 3.21Å; E664-Q711 PolarHBondContact OE1-NE2 3.43Å; E664-Q711 VanDerWaalsContact OE1-NE2 3.08Å; E664-Q711 PolarHBondContact OE1-OE1 3.46Å; E664-Q711 PolarHBondContact OE2-NE2 3.15Å; E707-Q711 PolarHBondContact O-N 3.16Å; E707-Q711 VanDerWaalsContact O-N 3.11Å; A708-Q711 PolarHBondContact O-N 3.22Å; K709-Q711 VanDerWaalsContact C-N 3.26Å; K709-Q711 PolarHBondContact O-N 3.43Å; Q711-H714 PolarHBondContact O-N 3.35Å; Q711-I715 HydrophobicContact CG-CD1 4.08Å; Q711-I715 WeakPolarHBondContact O-CD1 3.44Å; Q711-I715 VanDerWaalsContact O-CG1 3.28Å; Q711-I715 WeakPolarHBondContact O-CG1 3.32Å; Q711-I715 PolarHBondContact O-N 2.88Å
712	L	93.9	Very high	90.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.7	-42.2	177.2	-67.7	171.7	0	0	0	111.9	W665 P687 V691 Y698 M700 F703 A708 K709 H714 I715 I716	W665-L712 HydrophobicContact CH2-CD1 3.81Å; W665-L712 HydrophobicContact CH2-CD2 4.2Å; W665-L712 HydrophobicContact CH2-CG 3.93Å; W665-L712 HydrophobicContact CZ2-CD1 4.46Å; W665-L712 HydrophobicContact CZ2-CD2 4.28Å; W665-L712 HydrophobicContact CZ2-CG 4.09Å; P687-L712 HydrophobicContact CB-CD2 3.89Å; V691-L712 HydrophobicContact CG2-CD2 3.76Å; Y698-L712 HydrophobicContact CD1-CD1 3.75Å; Y698-L712 HydrophobicContact CE1-CD1 4.23Å; M700-L712 HydrophobicContact CE-CB 3.77Å; M700-L712 HydrophobicContact CE-CD1 3.81Å; M700-L712 HydrophobicContact CE-CG 4.42Å; M700-L712 HydrophobicContact SD-CB 3.76Å; F703-L712 HydrophobicContact CE2-CD1 4.3Å; F703-L712 HydrophobicContact CZ-CD1 4.19Å; A708-L712 VanDerWaalsContact O-CG 3.31Å; A708-L712 WeakPolarHBondContact O-CG 3.44Å; A708-L712 PolarHBondContact O-N 2.96Å; K709-L712 PolarHBondContact O-N 3.19Å; L712-H714 PolarHBondContact O-N 3.1Å; L712-I715 PolarHBondContact O-N 3.15Å; L712-I716 WeakPolarHBondContact O-CD1 3.34Å; L712-I716 VanDerWaalsContact O-CG1 3.27Å; L712-I716 WeakPolarHBondContact O-CG1 3.43Å; L712-I716 PolarHBondContact O-N 3.13Å
713	E	93.4	Very high	88.7	Confident	79 Å²	79	63.3 Å²	63.3	37%	0.369	32%	0.315	S	S	.	.	H	α-helix	trans	-59.2	-44.5	174	-74.6	174.7	164.1	0	0	111.8	M700 K709 I715 I716 A717	M700-E713 HydrophobicContact CB-CG 4.41Å; M700-E713 HydrophobicContact CG-CG 3.99Å; M700-E713 HydrophobicContact SD-CG 3.9Å; K709-E713 WeakPolarHBondContact CE-OE1 3.35Å; K709-E713 HydrophobicContact CG-CG 4.29Å; K709-E713 WeakPolarHBondContact O-CG 3.3Å; K709-E713 PolarHBondContact O-N 3.31Å; E713-I715 VanDerWaalsContact C-N 3.32Å; E713-I715 PolarHBondContact O-N 3.42Å; E713-I716 PolarHBondContact O-N 2.85Å; E713-A717 WeakPolarHBondContact O-CB 3.45Å; E713-A717 PolarHBondContact O-N 3.41Å
714	H	93.2	Very high	87	Confident	132 Å²	132	72.5 Å²	72.5	61%	0.611	35%	0.351	S	S	*	.	H	α-helix	trans	-62	-40.5	176	-175.7	69.3	0	0	0	112	R710 Q711 L712 A717 K718	R710-H714 PolarHBondContact O-N 3.03Å; R710-H714 VanDerWaalsContact O-N 3.09Å; Q711-H714 PolarHBondContact O-N 3.35Å; L712-H714 PolarHBondContact O-N 3.1Å; H714-A717 PolarHBondContact O-N 3.2Å; H714-K718 WeakPolarHBondContact O-CB 3.46Å; H714-K718 PolarHBondContact O-N 2.93Å
715	I	92.3	Very high	85.1	Confident	18 Å²	18	76.2 Å²	76.2	9%	0.092	37%	0.373	C	S	.	.	H	α-helix	trans	-65.9	-44.1	176.9	-70.4	163.9	0	0	0	111	P687 E688 Q711 L712 E713 A717 K718 L719	P687-I715 HydrophobicContact CB-CD1 3.53Å; P687-I715 HydrophobicContact CG-CD1 3.36Å; E688-I715 HydrophobicContact CB-CG2 4.42Å; E688-I715 HydrophobicContact CG-CG2 3.82Å; Q711-I715 HydrophobicContact CG-CD1 4.08Å; Q711-I715 WeakPolarHBondContact O-CD1 3.44Å; Q711-I715 VanDerWaalsContact O-CG1 3.28Å; Q711-I715 WeakPolarHBondContact O-CG1 3.32Å; Q711-I715 PolarHBondContact O-N 2.88Å; L712-I715 PolarHBondContact O-N 3.15Å; E713-I715 VanDerWaalsContact C-N 3.32Å; E713-I715 PolarHBondContact O-N 3.42Å; I715-A717 PolarHBondContact O-N 2.93Å; I715-K718 PolarHBondContact O-N 3.26Å; I715-L719 HydrophobicContact CG2-CD1 3.85Å; I715-L719 HydrophobicContact CG2-CG 4.3Å; I715-L719 WeakPolarHBondContact O-CG 3.37Å; I715-L719 PolarHBondContact O-N 2.87Å
716	I	92	Very high	83	Confident	60 Å²	60	78 Å²	78	31%	0.308	38%	0.382	S	S	.	.	H	α-helix	trans	-61	-44.4	176.9	-69.8	160.5	0	0	0	110.8	V691 M700 L712 E713 K718 L719 S720	V691-I716 HydrophobicContact CG1-CD1 4.1Å; V691-I716 HydrophobicContact CG1-CG1 3.64Å; V691-I716 HydrophobicContact CG2-CD1 4.34Å; V691-I716 HydrophobicContact CG2-CG1 4.19Å; M700-I716 HydrophobicContact CE-CD1 4.18Å; M700-I716 HydrophobicContact CG-CD1 3.43Å; M700-I716 VanDerWaalsContact CG-CD1 3.43Å; M700-I716 HydrophobicContact SD-CD1 4.07Å; L712-I716 WeakPolarHBondContact O-CD1 3.34Å; L712-I716 VanDerWaalsContact O-CG1 3.27Å; L712-I716 WeakPolarHBondContact O-CG1 3.43Å; L712-I716 PolarHBondContact O-N 3.13Å; E713-I716 PolarHBondContact O-N 2.85Å; I716-K718 VanDerWaalsContact C-N 3.3Å; I716-K718 PolarHBondContact O-N 3.21Å; I716-L719 PolarHBondContact O-N 2.94Å; I716-S720 PolarHBondContact O-N 3.48Å; I716-S720 PolarHBondContact O-OG 3.2Å
717	A	91.8	Very high	80.6	Confident	54 Å²	54	89.7 Å²	89.7	45%	0.446	42%	0.424	S	S	.	.	H	α-helix	trans	-62.6	-37.2	175.3	0	0	0	0	0	112.2	E713 H714 I715 S720 S721	E713-A717 WeakPolarHBondContact O-CB 3.45Å; E713-A717 PolarHBondContact O-N 3.41Å; H714-A717 PolarHBondContact O-N 3.2Å; I715-A717 PolarHBondContact O-N 2.93Å; A717-S720 WeakPolarHBondContact CA-OG 3.49Å; A717-S720 PolarHBondContact O-OG 3.2Å; A717-S721 WeakPolarHBondContact O-CB 3.4Å; A717-S721 PolarHBondContact O-N 3.41Å; A717-S721 VanDerWaalsContact O-N 3.09Å; A717-S721 PolarHBondContact O-OG 3.44Å
718	K	91.4	Very high	80.1	Confident	111 Å²	111	91.9 Å²	91.9	48%	0.483	44%	0.435	S	S	.	.	H	α-helix	trans	-72.1	-35	176.8	-171.3	177.9	-179.4	-179	0	113	H714 I715 I716 S721 K722	H714-K718 WeakPolarHBondContact O-CB 3.46Å; H714-K718 PolarHBondContact O-N 2.93Å; I715-K718 PolarHBondContact O-N 3.26Å; I716-K718 VanDerWaalsContact C-N 3.3Å; I716-K718 PolarHBondContact O-N 3.21Å; K718-S721 WeakPolarHBondContact CA-OG 3.22Å; K718-S721 PolarHBondContact O-OG 3.15Å; K718-S721 VanDerWaalsContact O-OG 3.04Å; K718-K722 WeakPolarHBondContact O-CG 3.45Å; K718-K722 PolarHBondContact O-N 3.11Å
719	L	86	Confident	79.4	Confident	40 Å²	40	96.5 Å²	96.5	21%	0.209	46%	0.456	C	S	.	.	H	α-helix	trans	-70.5	-47.3	176.9	-73.3	170.7	0	0	0	110.9	I715 I716 S721 K722 E723	I715-L719 HydrophobicContact CG2-CD1 3.85Å; I715-L719 HydrophobicContact CG2-CG 4.3Å; I715-L719 WeakPolarHBondContact O-CG 3.37Å; I715-L719 PolarHBondContact O-N 2.87Å; I716-L719 PolarHBondContact O-N 2.94Å; L719-S721 PolarHBondContact O-N 3.47Å; L719-K722 PolarHBondContact O-N 3.26Å; L719-E723 PolarHBondContact O-N 3.25Å; L719-E723 VanDerWaalsContact O-N 3.12Å
720	S	84.3	Confident	78.6	Confident	51 Å²	51	101.1 Å²	101.1	36%	0.357	48%	0.478	S	S	.	.	H	α-helix	trans	-60.4	-44	176.3	49.2	0	0	0	0	112.4	I716 A717 K722 E723 Y724	I716-S720 PolarHBondContact O-N 3.48Å; I716-S720 PolarHBondContact O-OG 3.2Å; A717-S720 WeakPolarHBondContact CA-OG 3.49Å; A717-S720 PolarHBondContact O-OG 3.2Å; S720-K722 VanDerWaalsContact C-N 3.29Å; S720-K722 PolarHBondContact O-N 3.39Å; S720-E723 PolarHBondContact O-N 2.94Å; S720-Y724 WeakPolarHBondContact O-CD2 3.33Å; S720-Y724 PolarHBondContact O-N 3.06Å
721	S	81.1	Confident	77.8	Confident	61 Å²	61	97.6 Å²	97.6	43%	0.427	47%	0.471	S	S	.	.	H	α-helix	trans	-63.1	-31.6	176.2	52.3	0	0	0	0	113.8	A717 K718 L719 T725	A717-S721 WeakPolarHBondContact O-CB 3.4Å; A717-S721 PolarHBondContact O-N 3.41Å; A717-S721 VanDerWaalsContact O-N 3.09Å; A717-S721 PolarHBondContact O-OG 3.44Å; K718-S721 WeakPolarHBondContact CA-OG 3.22Å; K718-S721 PolarHBondContact O-OG 3.15Å; K718-S721 VanDerWaalsContact O-OG 3.04Å; L719-S721 PolarHBondContact O-N 3.47Å; S721-T725 PolarHBondContact O-N 3.12Å; S721-T725 PolarHBondContact O-OG1 3.5Å
722	K	70.9	Confident	76.8	Confident	128 Å²	128	101.1 Å²	101.1	56%	0.557	49%	0.488	S	S	*	.	H	α-helix	trans	-71.7	-38.3	174.8	-80.4	-176.4	174.1	-171.3	0	112.9	K718 L719 S720 Y724 T725 Q726	K718-K722 WeakPolarHBondContact O-CG 3.45Å; K718-K722 PolarHBondContact O-N 3.11Å; L719-K722 PolarHBondContact O-N 3.26Å; S720-K722 VanDerWaalsContact C-N 3.29Å; S720-K722 PolarHBondContact O-N 3.39Å; K722-Y724 VanDerWaalsContact C-N 3.32Å; K722-T725 PolarHBondContact O-N 3.02Å; K722-Q726 PolarHBondContact O-N 3.48Å
723	E	62.9	Low	75.7	Confident	129 Å²	129	107.9 Å²	107.9	60%	0.603	52%	0.521	S	S	*	.	H	α-helix	trans	-62	-41	174.8	-74	175.5	174.8	0	0	111.1	L719 S720 T725 Q726 Y727	L719-E723 PolarHBondContact O-N 3.25Å; L719-E723 VanDerWaalsContact O-N 3.12Å; S720-E723 PolarHBondContact O-N 2.94Å; E723-T725 PolarHBondContact O-N 3.29Å; E723-Q726 PolarHBondContact O-N 3.27Å; E723-Y727 WeakPolarHBondContact O-CD2 3.47Å
724	Y	55.3	Low	74.4	Confident	198 Å²	198	109.9 Å²	109.9	78%	0.776	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.2	175.1	-89.1	-83.6	0	0	0	114.9	S720 K722	S720-Y724 WeakPolarHBondContact O-CD2 3.33Å; S720-Y724 PolarHBondContact O-N 3.06Å; K722-Y724 VanDerWaalsContact C-N 3.32Å
725	T	51.8	Low	73	Confident	115 Å²	115	108.2 Å²	108.2	71%	0.706	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-9.5	178.4	-35.5	0	0	0	0	112.5	S721 K722 E723	S721-T725 PolarHBondContact O-N 3.12Å; S721-T725 PolarHBondContact O-OG1 3.5Å; K722-T725 PolarHBondContact O-N 3.02Å; E723-T725 PolarHBondContact O-N 3.29Å
726	Q	47.2	Very low	71.3	Confident	178 Å²	178	115.8 Å²	115.8	83%	0.832	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-9.6	177.4	-78.1	-172.6	-25.1	0	0	113.6	K722 E723	K722-Q726 PolarHBondContact O-N 3.48Å; E723-Q726 PolarHBondContact O-N 3.27Å
727	Y	41.6	Very low	69.5	Low	264 Å²	264	120.8 Å²	120.8	100%	1.035	59%	0.585	S	S	*	*			trans	-95.3	0	161.7	-75.3	-83.1	0	0	0	109.6	E723	E723-Y727 WeakPolarHBondContact O-CD2 3.47Å

Retrieved 727 of 727 residues in 1707.6 ms (Link to these results)

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