A0A060WZP5_ONCMY Loading...

Serine/threonine-protein kinase PLK

AlphaFold DB , UniProt , Accession A0A060WZP5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110530313, Length 662 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	29	Very low	226 Å²	226	137.8 Å²	137.8	100%	1.113	81%	0.814	S	S	*	*				0	82	0	-65.9	-179.7	179.1	0	0	111.9
2	D	32.2	Very low	28.9	Very low	150 Å²	150	137.2 Å²	137.2	80%	0.802	82%	0.821	S	S	*	*			cis	-154.8	150.8	-39.6	-90.2	-42.2	0	0	0	109.9
3	T	30.8	Very low	28.6	Very low	115 Å²	115	134.5 Å²	134.5	71%	0.706	81%	0.813	S	S	*	*			trans	-86.2	159.5	177.8	45.9	0	0	0	0	111.8
4	P	38.8	Very low	28.5	Very low	127 Å²	127	134.3 Å²	134.3	83%	0.825	82%	0.819	S	S	*	*				-123.9	146.2	98.7	2.8	17.8	0	0	0	111.3
5	C	25.6	Very low	28.5	Very low	83 Å²	83	136.1 Å²	136.1	56%	0.561	82%	0.82	S	S	*	*			cis	78.8	118.7	16.7	-136.2	0	0	0	0	115.8
6	F	25.8	Very low	28.4	Very low	200 Å²	200	135.1 Å²	135.1	88%	0.877	82%	0.816	S	S	*	*			trans	65.8	152.2	172.3	-65.9	-72.8	0	0	0	117.6
7	A	26.6	Very low	28.2	Very low	91 Å²	91	137.6 Å²	137.6	75%	0.752	82%	0.819	S	S	*	*			cis	-143.5	163.4	-4	0	0	0	0	0	112.3
8	T	24.6	Very low	28.1	Very low	143 Å²	143	138.2 Å²	138.2	88%	0.877	82%	0.818	S	S	*	*			trans	-93.2	143.5	174.7	49.4	0	0	0	0	113.8
9	S	27.1	Very low	28.5	Very low	110 Å²	110	135.7 Å²	135.7	77%	0.769	81%	0.806	S	S	*	*			trans	-154.6	153	158.7	60.9	0	0	0	0	109.7
10	Q	27.6	Very low	28.4	Very low	200 Å²	200	136.8 Å²	136.8	94%	0.935	81%	0.807	S	S	*	*			cis	-154.2	148.7	-21.7	-114.6	-176.5	9.5	0	0	106.8
11	G	25.3	Very low	28.3	Very low	71 Å²	71	138.4 Å²	138.4	73%	0.732	81%	0.811	S	S	*	*			trans	174.5	95.1	177	0	0	0	0	0	116.7
12	S	27.3	Very low	28	Very low	130 Å²	130	137.2 Å²	137.2	91%	0.909	80%	0.8	S	S	*	*			trans	58.9	108.7	157.5	-57.3	0	0	0	0	119.3
13	S	25.7	Very low	27.7	Very low	102 Å²	102	139.3 Å²	139.3	71%	0.713	80%	0.802	S	S	*	*			trans	-76.6	143	173.1	177.3	0	0	0	0	113.5
14	C	26.6	Very low	27.8	Very low	132 Å²	132	139.5 Å²	139.5	89%	0.892	81%	0.806	S	S	*	*			trans	-145.7	131.5	144.2	-91.7	0	0	0	0	108.9
15	L	29	Very low	27.1	Very low	161 Å²	161	139.6 Å²	139.6	84%	0.843	81%	0.808	S	S	*	*			trans	-94	161.6	-173.9	-82	167.1	0	0	0	113.5
16	T	26	Very low	27.2	Very low	121 Å²	121	141.4 Å²	141.4	74%	0.742	82%	0.818	S	S	*	*			trans	-80.3	142.4	-173.8	47.7	0	0	0	0	114.4
17	M	25.2	Very low	27.4	Very low	178 Å²	178	140.8 Å²	140.8	88%	0.877	82%	0.818	S	S	*	*			trans	44.6	131.9	142.5	-61.8	-174.3	177.7	0	0	120
18	N	27.2	Very low	27.5	Very low	148 Å²	148	147.7 Å²	147.7	79%	0.791	83%	0.825	S	S	*	*				-164.9	-147.1	85.6	-156.3	-0.4	0	0	0	110.1
19	P	35.6	Very low	27.6	Very low	91 Å²	91	148.7 Å²	148.7	59%	0.591	82%	0.82	S	S	*	*			trans	-111.3	174.8	-140.9	38.6	-20.2	0	0	0	114.3
20	N	26.3	Very low	27.7	Very low	156 Å²	156	150.2 Å²	150.2	83%	0.834	82%	0.824	S	S	*	*			trans	147.2	97.8	148.3	-78.8	-36.4	0	0	0	110.3
21	L	26.3	Very low	27.8	Very low	171 Å²	171	147.7 Å²	147.7	90%	0.895	82%	0.815	S	S	*	*			trans	-133.2	68.5	174.8	-91.6	171.4	0	0	0	111.1
22	F	27.5	Very low	28.1	Very low	201 Å²	201	149.4 Å²	149.4	88%	0.882	81%	0.814	S	S	*	*			trans	-152.3	134.2	166.6	-99.3	-68.4	0	0	0	112.9
23	K	26.5	Very low	28.3	Very low	194 Å²	194	149.2 Å²	149.2	84%	0.843	81%	0.809	S	S	*	*			trans	74	161.6	171.5	-52.2	-172.1	175	-177.7	0	115.1
24	P	33.4	Very low	28.5	Very low	120 Å²	120	151.3 Å²	151.3	78%	0.779	82%	0.818	S	S	*	*				-136.9	168.9	-82.2	35.1	-15.4	0	0	0	114.7
25	C	23.3	Very low	28.6	Very low	129 Å²	129	154.3 Å²	154.3	87%	0.872	82%	0.816	S	S	*	*			trans	-151.2	165.7	164.8	-111.4	0	0	0	0	110.2
26	P	28.9	Very low	28.7	Very low	120 Å²	120	152.5 Å²	152.5	78%	0.779	81%	0.814	S	S	*	*			trans	-113.3	175.3	-131	38.6	-29.6	0	0	0	115.7
27	E	29.5	Very low	28.8	Very low	188 Å²	188	153.9 Å²	153.9	88%	0.879	82%	0.817	S	S	*	*			trans	-69.7	137	178.9	-56.7	175.4	131.3	0	0	113.1
28	R	27.6	Very low	29	Very low	235 Å²	235	157 Å²	157	89%	0.887	82%	0.819	S	S	*	*				-162.6	164.4	124.5	-111.5	171.3	-177.2	177.2	1.7	113.2
29	E	27.1	Very low	29.2	Very low	165 Å²	165	156.1 Å²	156.1	77%	0.771	82%	0.819	S	S	*	*			trans	-73.9	147.5	-158.1	-58.3	149.9	109.7	0	0	114.8
30	V	29.3	Very low	28.9	Very low	142 Å²	142	161.2 Å²	161.2	86%	0.861	83%	0.831	S	S	*	*			trans	-137	123.2	153.6	-178.5	0	0	0	0	108.9
31	I	30.3	Very low	29.1	Very low	146 Å²	146	158.5 Å²	158.5	75%	0.749	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-86.4	125.2	-178.6	-59.4	169.8	0	0	0	109.8
32	P	31.9	Very low	29.3	Very low	108 Å²	108	159.2 Å²	159.2	70%	0.701	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-81.6	144.6	175.1	32.2	-33.6	0	0	0	112.3
33	P	31.5	Very low	29.3	Very low	126 Å²	126	156.9 Å²	156.9	82%	0.818	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-77	151.7	-173.8	30.4	-35.9	0	0	0	114.1
34	T	28.5	Very low	29.6	Very low	145 Å²	145	155.7 Å²	155.7	89%	0.89	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-67.8	140.9	179.8	40.7	0	0	0	0	113.3
35	K	30.5	Very low	29.3	Very low	195 Å²	195	157.7 Å²	157.7	85%	0.848	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-102.5	142.5	166.3	-71.6	-179.8	179.4	174.6	0	109.7
36	P	29.9	Very low	29.8	Very low	123 Å²	123	157.2 Å²	157.2	80%	0.799	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-75	133.5	-168.6	28.5	-35.2	0	0	0	113.1	R38	P36-R38 PolarHBondContact O-N 3.06Å
37	N	28.1	Very low	30.2	Very low	151 Å²	151	158.4 Å²	158.4	81%	0.807	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-63.9	126.7	170.9	-92.8	-34.1	0	0	0	111.2
38	R	30.7	Very low	31	Very low	244 Å²	244	157.2 Å²	157.2	92%	0.921	80%	0.802	S	S	*	*			trans	-118.6	72.1	161.1	-96.3	-172.1	169.3	-179.8	-0.8	110.2	P36 K40	P36-R38 PolarHBondContact O-N 3.06Å; R38-K40 PolarHBondContact O-N 2.98Å
39	T	30.5	Very low	32.4	Very low	128 Å²	128	148.7 Å²	148.7	79%	0.785	78%	0.782	S	S	*	*			trans	-62.6	93.6	163.9	28.5	0	0	0	0	110.1
40	K	28.5	Very low	35.1	Very low	198 Å²	198	145.6 Å²	145.6	86%	0.861	77%	0.768	S	S	*	*			trans	-94.6	103.1	155.9	-85.5	-166.4	171.7	-173	0	108.3	R38 E42	R38-K40 PolarHBondContact O-N 2.98Å; K40-E42 PolarHBondContact O-N 3.41Å
41	S	30.4	Very low	38	Very low	99 Å²	99	142.7 Å²	142.7	69%	0.692	75%	0.75	S	S	*	*			trans	-68.1	115.6	167.8	38.5	0	0	0	0	109.5	Q43	S41-Q43 VanDerWaalsContact C-N 3.25Å; S41-Q43 PolarHBondContact O-N 2.81Å
42	E	30.8	Very low	41	Very low	187 Å²	187	136.1 Å²	136.1	87%	0.874	72%	0.717	S	S	*	*			trans	-71.3	86.1	168.3	-70.2	-162.1	136.8	0	0	109.1	K40 I44	K40-E42 PolarHBondContact O-N 3.41Å; E42-I44 PolarHBondContact O-N 3.4Å
43	Q	28.1	Very low	43.9	Very low	152 Å²	152	134.1 Å²	134.1	71%	0.71	70%	0.703	S	S	*	*			trans	-60.4	110	170.3	-69.5	-177.6	-11.6	0	0	109.2	S41 K45	S41-Q43 VanDerWaalsContact C-N 3.25Å; S41-Q43 PolarHBondContact O-N 2.81Å; Q43-K45 PolarHBondContact O-N 2.9Å
44	I	33.5	Very low	46.9	Very low	168 Å²	168	128.6 Å²	128.6	86%	0.862	67%	0.666	S	S	*	*			trans	-68.4	87	171.5	-55.5	178.4	0	0	0	108.3	E42	E42-I44 PolarHBondContact O-N 3.4Å
45	K	26.8	Very low	49.8	Very low	162 Å²	162	126.6 Å²	126.6	70%	0.704	66%	0.658	S	S	*	*			trans	-64.3	148.5	160.8	-70	178.5	179.2	175.1	0	108.4	Q43 E47	Q43-K45 PolarHBondContact O-N 2.9Å; K45-E47 PolarHBondContact O-N 3.08Å
46	P	32.4	Very low	52.6	Low	119 Å²	119	125.5 Å²	125.5	77%	0.773	65%	0.653	S	S	*	*			trans	-56.3	123.9	162.2	25.7	-32.9	0	0	0	108.5	L48	P46-L48 PolarHBondContact O-N 2.58Å
47	E	38.3	Very low	55.6	Low	146 Å²	146	123.5 Å²	123.5	68%	0.682	64%	0.639	S	S	*	*			trans	-66.1	97.4	179.9	-170.7	177.9	176.5	0	0	108.2	K45 A49 K63	K45-E47 PolarHBondContact O-N 3.08Å; E47-A49 PolarHBondContact O-N 3.39Å; E47-A49 VanDerWaalsContact O-N 3.08Å; E47-K63 IonicContact OE1-NZ 2.79Å; E47-K63 PolarHBondContact OE1-NZ 2.76Å
48	L	45.6	Very low	58.6	Low	162 Å²	162	119.1 Å²	119.1	85%	0.848	63%	0.629	S	S	*	*			trans	-51.1	117.5	165.8	-79	167.4	0	0	0	107.2	P46 Q50	P46-L48 PolarHBondContact O-N 2.58Å; L48-Q50 PolarHBondContact O-N 3.34Å
49	A	56.8	Low	61.6	Low	56 Å²	56	111.7 Å²	111.7	46%	0.463	60%	0.604	S	S	.	*			trans	-52.8	110.8	-169	0	0	0	0	0	110.4	E47 V51	E47-A49 PolarHBondContact O-N 3.39Å; E47-A49 VanDerWaalsContact O-N 3.08Å; A49-V51 PolarHBondContact O-N 3.21Å
50	Q	84.1	Confident	64.6	Low	101 Å²	101	107.4 Å²	107.4	47%	0.472	58%	0.579	S	S	.	*			trans	-64.8	109.8	-169.5	-171.2	-177.6	7.7	0	0	109.1	L48 K63	L48-Q50 PolarHBondContact O-N 3.34Å; Q50-K63 HydrophobicContact CB-CB 4.22Å; Q50-K63 HydrophobicContact CB-CD 3.74Å; Q50-K63 HydrophobicContact CG-CD 4.44Å; Q50-K63 WeakPolarHBondContact O-CB 3.4Å; Q50-K63 PolarHBondContact O-N 3.33Å; Q50-K63 VanDerWaalsContact OE1-CD 3.31Å
51	V	91.3	Very high	67.9	Low	80 Å²	80	98 Å²	98	49%	0.485	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.8	176.2	-177.1	0	0	0	0	108.6	A49 Y61 L81	A49-V51 PolarHBondContact O-N 3.21Å; V51-Y61 WeakPolarHBondContact CA-O 3.28Å; V51-L81 HydrophobicContact CG1-CD1 4.13Å; V51-L81 HydrophobicContact CG2-CD1 4.35Å
52	V	92.9	Very high	71	Confident	9 Å²	9	94.7 Å²	94.7	6%	0.055	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.2	171.4	-175.7	0	0	0	0	107.5	S60 Y61 M78 F128 Y135	V52-S60 CarbonylContact O-C 3.6Å; V52-S60 WeakPolarHBondContact O-CA 3.35Å; V52-Y61 PolarHBondContact N-O 3.2Å; V52-Y61 PolarHBondContact O-N 3.45Å; V52-M78 HydrophobicContact CG2-CE 4.22Å; V52-F128 HydrophobicContact CG1-CE2 3.82Å; V52-F128 HydrophobicContact CG1-CZ 3.71Å; V52-Y135 HydrophobicContact CB-CE1 4.49Å; V52-Y135 HydrophobicContact CG1-CD1 4.38Å; V52-Y135 HydrophobicContact CG1-CE1 3.75Å; V52-Y135 HydrophobicContact CG1-CE2 3.94Å; V52-Y135 VanDerWaalsContact CG1-CZ 3.48Å; V52-Y135 HydrophobicContact CG2-CE1 4.12Å
53	T	92.9	Very high	74	Confident	66 Å²	66	87.4 Å²	87.4	41%	0.405	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128	179.6	-58.6	0	0	0	0	110.6	S55 K59 S60	T53-S55 PolarHBondContact O-N 2.8Å; T53-K59 WeakPolarHBondContact CA-O 3.45Å; T53-S60 PolarHBondContact OG1-OG 2.87Å
54	D	93.3	Very high	77.1	Confident	10 Å²	10	81.8 Å²	81.8	5%	0.053	46%	0.463	C	S	.	.			trans	-71.9	108.6	167.8	174.8	8.2	0	0	0	109.3	K56 T57 G58 K59 Y61 F128	D54-K56 PolarHBondContact O-N 3.21Å; D54-K56 WeakPolarHBondContact OD1-CB 3.46Å; D54-K56 PolarHBondContact OD1-N 2.84Å; D54-T57 VanDerWaalsContact CG-OG1 3.27Å; D54-T57 PolarHBondContact O-N 2.59Å; D54-T57 WeakPolarHBondContact OD2-CB 3.39Å; D54-T57 VanDerWaalsContact OD2-CG2 3.24Å; D54-T57 WeakPolarHBondContact OD2-CG2 3.38Å; D54-T57 PolarHBondContact OD2-OG1 3.32Å; D54-G58 WeakPolarHBondContact O-CA 3.47Å; D54-G58 PolarHBondContact O-N 2.85Å; D54-K59 PolarHBondContact N-O 3.2Å; D54-Y61 HydrophobicContact CB-CE2 4.38Å; D54-F128 HydrophobicContact CB-CB 4.39Å; D54-F128 HydrophobicContact CB-CD1 3.75Å; D54-F128 HydrophobicContact CB-CD2 4.07Å; D54-F128 HydrophobicContact CB-CE1 3.91Å; D54-F128 HydrophobicContact CB-CE2 4.24Å; D54-F128 HydrophobicContact CB-CG 3.83Å; D54-F128 HydrophobicContact CB-CZ 4.17Å
55	S	89.7	Confident	79.9	Confident	103 Å²	103	79.9 Å²	79.9	72%	0.72	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17	-179.5	57.1	0	0	0	0	114.1	T53	T53-S55 PolarHBondContact O-N 2.8Å
56	K	90.3	Very high	83	Confident	172 Å²	172	75.6 Å²	75.6	75%	0.748	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-26.3	179.6	-59.4	-179.5	-177.3	178.2	0	113.2	D54	D54-K56 PolarHBondContact O-N 3.21Å; D54-K56 WeakPolarHBondContact OD1-CB 3.46Å; D54-K56 PolarHBondContact OD1-N 2.84Å
57	T	91.6	Very high	85.6	Confident	81 Å²	81	73 Å²	73	50%	0.497	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-4.8	-178.6	67.3	0	0	0	0	114.3	D54 K59	D54-T57 VanDerWaalsContact CG-OG1 3.27Å; D54-T57 PolarHBondContact O-N 2.59Å; D54-T57 WeakPolarHBondContact OD2-CB 3.39Å; D54-T57 VanDerWaalsContact OD2-CG2 3.24Å; D54-T57 WeakPolarHBondContact OD2-CG2 3.38Å; D54-T57 PolarHBondContact OD2-OG1 3.32Å; T57-K59 PolarHBondContact O-N 2.92Å; T57-K59 WeakPolarHBondContact OG1-CG 3.35Å
58	G	91.4	Very high	87.8	Confident	58 Å²	58	67.3 Å²	67.3	60%	0.598	39%	0.393	S	S	*	.			trans	69.1	5.8	-175.9	0	0	0	0	0	114.3	D54	D54-G58 WeakPolarHBondContact O-CA 3.47Å; D54-G58 PolarHBondContact O-N 2.85Å
59	K	93.3	Very high	89.6	Confident	89 Å²	89	67.4 Å²	67.4	39%	0.387	39%	0.386	S	S	.	.			trans	-80.4	124.8	-175.7	-70.9	-174.4	176.3	-172.9	0	111.9	T53 D54 T57 Y61	T53-K59 WeakPolarHBondContact CA-O 3.45Å; D54-K59 PolarHBondContact N-O 3.2Å; T57-K59 PolarHBondContact O-N 2.92Å; T57-K59 WeakPolarHBondContact OG1-CG 3.35Å; K59-Y61 HydrophobicContact CB-CE2 3.77Å; K59-Y61 WeakPolarHBondContact CB-OH 3.31Å; K59-Y61 VanDerWaalsContact CD-OH 3.31Å; K59-Y61 WeakPolarHBondContact CD-OH 3.5Å; K59-Y61 WeakPolarHBondContact O-CD2 3.38Å; K59-Y61 VanDerWaalsContact O-CE2 3.28Å; K59-Y61 WeakPolarHBondContact O-CE2 3.44Å
60	S	95.3	Very high	90.2	Very high	38 Å²	38	67 Å²	67	27%	0.266	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	138.1	176	-57.9	0	0	0	0	112.6	V52 T53 L81	V52-S60 CarbonylContact O-C 3.6Å; V52-S60 WeakPolarHBondContact O-CA 3.35Å; T53-S60 PolarHBondContact OG1-OG 2.87Å; S60-L81 VanDerWaalsContact O-CB 3.3Å; S60-L81 WeakPolarHBondContact O-CB 3.35Å; S60-L81 PolarHBondContact O-N 3.42Å
61	Y	96.1	Very high	89.7	Confident	1 Å²	1	65.6 Å²	65.6	0%	0.004	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.3	-177.3	-55	-86.4	0	0	0	109.8	V51 V52 D54 K59 T79 D80 H126 F128 F137	V51-Y61 WeakPolarHBondContact CA-O 3.28Å; V52-Y61 PolarHBondContact N-O 3.2Å; V52-Y61 PolarHBondContact O-N 3.45Å; D54-Y61 HydrophobicContact CB-CE2 4.38Å; K59-Y61 HydrophobicContact CB-CE2 3.77Å; K59-Y61 WeakPolarHBondContact CB-OH 3.31Å; K59-Y61 VanDerWaalsContact CD-OH 3.31Å; K59-Y61 WeakPolarHBondContact CD-OH 3.5Å; K59-Y61 WeakPolarHBondContact O-CD2 3.38Å; K59-Y61 VanDerWaalsContact O-CE2 3.28Å; K59-Y61 WeakPolarHBondContact O-CE2 3.44Å; Y61-T79 CarbonylContact C-O 3.58Å; Y61-T79 VanDerWaalsContact CA-O 3.29Å; Y61-T79 WeakPolarHBondContact CA-O 3.44Å; Y61-D80 HydrophobicContact CD1-CB 3.85Å; Y61-D80 HydrophobicContact CE1-CB 3.8Å; Y61-H126 AromaticContact CZ-NE2 3.61Å; Y61-H126 PolarHBondContact OH-NE2 3.37Å; Y61-H126 VanDerWaalsContact OH-NE2 3.1Å; Y61-F128 AromaticContact CD2-CE1 3.85Å; Y61-F128 HydrophobicContact CD2-CE1 3.85Å; Y61-F128 HydrophobicContact CD2-CZ 4.07Å; Y61-F128 HydrophobicContact CE2-CD1 4.44Å; Y61-F128 AromaticContact CE2-CE1 3.55Å; Y61-F128 HydrophobicContact CE2-CE1 3.55Å; Y61-F128 HydrophobicContact CE2-CZ 4.16Å; Y61-F137 HydrophobicContact CD1-CD1 4.49Å; Y61-F137 AromaticContact CD1-CE1 3.5Å; Y61-F137 HydrophobicContact CD1-CE1 3.5Å; Y61-F137 AromaticContact CD1-CZ 3.95Å; Y61-F137 HydrophobicContact CD1-CZ 3.95Å; Y61-F137 HydrophobicContact CD2-CE1 4.32Å; Y61-F137 AromaticContact CD2-CZ 3.91Å; Y61-F137 HydrophobicContact CD2-CZ 3.91Å; Y61-F137 HydrophobicContact CE1-CD1 4.42Å; Y61-F137 AromaticContact CE1-CE1 3.74Å; Y61-F137 HydrophobicContact CE1-CE1 3.74Å; Y61-F137 HydrophobicContact CE1-CZ 4.19Å; Y61-F137 HydrophobicContact CE2-CZ 4.13Å; Y61-F137 AromaticContact CG-CE1 3.84Å; Y61-F137 HydrophobicContact CG-CE1 3.84Å; Y61-F137 AromaticContact CG-CZ 3.82Å; Y61-F137 HydrophobicContact CG-CZ 3.82Å
62	S	95.9	Very high	88.9	Confident	29 Å²	29	66.1 Å²	66.1	20%	0.203	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	112.9	173.7	175.9	0	0	0	0	109.8	G64 M78 T79	S62-G64 PolarHBondContact O-N 3.18Å; S62-M78 WeakPolarHBondContact O-CB 3.49Å; S62-T79 PolarHBondContact N-O 3.37Å; S62-T79 PolarHBondContact O-N 2.94Å
63	K	95	Very high	88.5	Confident	34 Å²	34	66.2 Å²	66.2	15%	0.148	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	124.5	173	-178.7	-159.6	174.3	-156.4	0	110.8	E47 Q50 Y76 M78	E47-K63 IonicContact OE1-NZ 2.79Å; E47-K63 PolarHBondContact OE1-NZ 2.76Å; Q50-K63 HydrophobicContact CB-CB 4.22Å; Q50-K63 HydrophobicContact CB-CD 3.74Å; Q50-K63 HydrophobicContact CG-CD 4.44Å; Q50-K63 WeakPolarHBondContact O-CB 3.4Å; Q50-K63 PolarHBondContact O-N 3.33Å; Q50-K63 VanDerWaalsContact OE1-CD 3.31Å; K63-Y76 HydrophobicContact CG-CD1 4.16Å; K63-Y76 HydrophobicContact CG-CG 4.36Å; K63-M78 HydrophobicContact CG-CE 4.49Å
64	G	92.7	Very high	88.5	Confident	34 Å²	34	67.8 Å²	67.8	35%	0.351	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-152.3	172.9	0	0	0	0	0	112.8	S62 E77	S62-G64 PolarHBondContact O-N 3.18Å; G64-E77 WeakPolarHBondContact CA-O 3.39Å; G64-E77 PolarHBondContact N-O 2.81Å
65	K	91.8	Very high	88.5	Confident	127 Å²	127	68.9 Å²	68.9	55%	0.552	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	150.8	-173.5	64.5	174.6	-177.7	-76.1	0	113.2	L67 Y76 E77	K65-L67 PolarHBondContact O-N 3.18Å; K65-Y76 WeakPolarHBondContact O-CA 3.3Å; K65-E77 WeakPolarHBondContact CE-OE1 3.24Å; K65-E77 WeakPolarHBondContact CE-OE2 3.5Å; K65-E77 HydrophobicContact CG-CG 4.23Å; K65-E77 WeakPolarHBondContact CG-OE2 3.13Å; K65-E77 IonicContact NZ-OE1 3.6Å; K65-E77 PolarHBondContact NZ-OE1 3.14Å; K65-E77 IonicContact NZ-OE2 2.73Å; K65-E77 PolarHBondContact NZ-OE2 2.84Å; K65-E77 PolarHBondContact O-N 3.46Å
66	L	92.2	Very high	88.8	Confident	73 Å²	73	66.1 Å²	66.1	38%	0.382	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	124.1	168.2	-176.1	79.4	0	0	0	109.7	G68 K69 R74 C75 Y76	L66-G68 WeakPolarHBondContact CD1-O 3.41Å; L66-K69 HydrophobicContact CD2-CD 4.45Å; L66-K69 HydrophobicContact CD2-CG 4.07Å; L66-R74 HydrophobicContact CD1-CB 4.07Å; L66-C75 CarbonylContact C-O 3.53Å; L66-C75 WeakPolarHBondContact CD1-O 3.01Å; L66-Y76 HydrophobicContact CB-CD1 4.13Å; L66-Y76 HydrophobicContact CB-CE1 3.99Å; L66-Y76 HydrophobicContact CD1-CD1 3.99Å; L66-Y76 HydrophobicContact CD1-CD2 4.4Å; L66-Y76 HydrophobicContact CD1-CE1 3.53Å; L66-Y76 HydrophobicContact CD1-CE2 4.01Å; L66-Y76 HydrophobicContact CD1-CG 4.4Å; L66-Y76 HydrophobicContact CG-CE1 4.38Å
67	L	87.7	Confident	89	Confident	63 Å²	63	59.3 Å²	59.3	33%	0.33	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-31.6	174.2	-66.9	173.3	0	0	0	112.5	K65 C75 E77 A88 L140	K65-L67 PolarHBondContact O-N 3.18Å; L67-C75 HydrophobicContact CB-CB 4.02Å; L67-C75 PolarHBondContact N-O 3.47Å; L67-E77 HydrophobicContact CD1-CG 3.88Å; L67-E77 HydrophobicContact CD2-CG 3.69Å; L67-E77 HydrophobicContact CG-CG 3.83Å; L67-A88 HydrophobicContact CD1-CB 3.86Å; L67-L140 HydrophobicContact CD1-CD1 3.88Å
68	G	84	Confident	89.2	Confident	27 Å²	27	55.6 Å²	55.6	28%	0.278	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	173.7	-178.7	0	0	0	0	0	114.4	L66 C75	L66-G68 WeakPolarHBondContact CD1-O 3.41Å; G68-C75 PolarHBondContact N-O 2.87Å; G68-C75 PolarHBondContact O-N 3.07Å
69	K	83.2	Confident	89.5	Confident	164 Å²	164	54.6 Å²	54.6	71%	0.713	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.6	175.1	-55	176.5	-174.4	171.1	0	107.7	L66 R74	L66-K69 HydrophobicContact CD2-CD 4.45Å; L66-K69 HydrophobicContact CD2-CG 4.07Å; K69-R74 HydrophobicContact CG-CG 4.4Å
70	G	70	Confident	89.6	Confident	47 Å²	47	50.4 Å²	50.4	49%	0.485	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	120.5	-176.3	0	0	0	0	0	112.6	F72 A73	G70-F72 PolarHBondContact O-N 2.64Å; G70-F72 VanDerWaalsContact O-N 3.11Å; G70-A73 PolarHBondContact N-O 3.09Å; G70-A73 PolarHBondContact O-N 2.74Å
71	G	73.6	Confident	89.6	Confident	73 Å²	73	51.8 Å²	51.8	75%	0.753	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	-115	-178.8	0	0	0	0	0	112.7	R96	G71-R96 PolarHBondContact O-NH1 3.01Å
72	F	73.4	Confident	89.5	Confident	91 Å²	91	55.9 Å²	55.9	40%	0.399	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-23.8	178.5	-56.3	-72.5	0	0	0	113.4	G70 I92 R96	G70-F72 PolarHBondContact O-N 2.64Å; G70-F72 VanDerWaalsContact O-N 3.11Å; F72-I92 HydrophobicContact CB-CG2 4.27Å; F72-R96 HydrophobicContact CD1-CB 4.2Å; F72-R96 WeakPolarHBondContact O-CD 3.41Å; F72-R96 PolarHBondContact O-NH1 3.22Å
73	A	86.1	Confident	89.4	Confident	11 Å²	11	58.4 Å²	58.4	9%	0.091	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	157.4	-166	0	0	0	0	0	115	G70 K90 V91 I92	G70-A73 PolarHBondContact N-O 3.09Å; G70-A73 PolarHBondContact O-N 2.74Å; A73-K90 HydrophobicContact CB-CB 4.48Å; A73-V91 WeakPolarHBondContact CA-O 3.31Å; A73-I92 HydrophobicContact CB-CD1 4.48Å; A73-I92 HydrophobicContact CB-CG1 3.71Å
74	R	91.7	Very high	89.3	Confident	98 Å²	98	63.5 Å²	63.5	37%	0.37	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.9	160.2	-65.4	-176.7	-178	85.5	-8.3	108.8	L66 K69 Y76 V91	L66-R74 HydrophobicContact CD1-CB 4.07Å; K69-R74 HydrophobicContact CG-CG 4.4Å; R74-Y76 HydrophobicContact CB-CD2 4.32Å; R74-Y76 HydrophobicContact CB-CE2 3.53Å; R74-Y76 WeakPolarHBondContact CD-OH 3.05Å; R74-V91 PolarHBondContact N-O 3.15Å; R74-V91 PolarHBondContact O-N 3.25Å
75	C	93.8	Very high	89.4	Confident	34 Å²	34	67.1 Å²	67.1	23%	0.23	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.1	-178.5	-58.2	0	0	0	0	110	L66 L67 G68 V89	L66-C75 CarbonylContact C-O 3.53Å; L66-C75 WeakPolarHBondContact CD1-O 3.01Å; L67-C75 HydrophobicContact CB-CB 4.02Å; L67-C75 PolarHBondContact N-O 3.47Å; G68-C75 PolarHBondContact N-O 2.87Å; G68-C75 PolarHBondContact O-N 3.07Å; C75-V89 CarbonylContact C-O 3.33Å; C75-V89 VanDerWaalsContact CA-O 3.3Å; C75-V89 WeakPolarHBondContact CA-O 3.31Å
76	Y	94.9	Very high	89.6	Confident	44 Å²	44	66.1 Å²	66.1	17%	0.173	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	160.5	178.7	-63.6	-92.9	0	0	0	111.5	K63 K65 L66 R74 M78 V89 V91	K63-Y76 HydrophobicContact CG-CD1 4.16Å; K63-Y76 HydrophobicContact CG-CG 4.36Å; K65-Y76 WeakPolarHBondContact O-CA 3.3Å; L66-Y76 HydrophobicContact CB-CD1 4.13Å; L66-Y76 HydrophobicContact CB-CE1 3.99Å; L66-Y76 HydrophobicContact CD1-CD1 3.99Å; L66-Y76 HydrophobicContact CD1-CD2 4.4Å; L66-Y76 HydrophobicContact CD1-CE1 3.53Å; L66-Y76 HydrophobicContact CD1-CE2 4.01Å; L66-Y76 HydrophobicContact CD1-CG 4.4Å; L66-Y76 HydrophobicContact CG-CE1 4.38Å; R74-Y76 HydrophobicContact CB-CD2 4.32Å; R74-Y76 HydrophobicContact CB-CE2 3.53Å; R74-Y76 WeakPolarHBondContact CD-OH 3.05Å; Y76-M78 PolarHBondContact O-N 3.39Å; Y76-V89 PolarHBondContact N-O 3.17Å; Y76-V89 PolarHBondContact O-N 3.47Å; Y76-V91 HydrophobicContact CD2-CB 4.32Å; Y76-V91 HydrophobicContact CD2-CG2 3.75Å; Y76-V91 HydrophobicContact CE2-CB 4.38Å; Y76-V91 HydrophobicContact CE2-CG2 4.24Å
77	E	95.2	Very high	89.9	Confident	30 Å²	30	63.3 Å²	63.3	14%	0.14	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	107	165.8	-70.7	-177.8	166.7	0	0	110.5	G64 K65 L67 Y87 L140	G64-E77 WeakPolarHBondContact CA-O 3.39Å; G64-E77 PolarHBondContact N-O 2.81Å; K65-E77 WeakPolarHBondContact CE-OE1 3.24Å; K65-E77 WeakPolarHBondContact CE-OE2 3.5Å; K65-E77 HydrophobicContact CG-CG 4.23Å; K65-E77 WeakPolarHBondContact CG-OE2 3.13Å; K65-E77 IonicContact NZ-OE1 3.6Å; K65-E77 PolarHBondContact NZ-OE1 3.14Å; K65-E77 IonicContact NZ-OE2 2.73Å; K65-E77 PolarHBondContact NZ-OE2 2.84Å; K65-E77 PolarHBondContact O-N 3.46Å; L67-E77 HydrophobicContact CD1-CG 3.88Å; L67-E77 HydrophobicContact CD2-CG 3.69Å; L67-E77 HydrophobicContact CG-CG 3.83Å; E77-Y87 CarbonylContact C-O 3.47Å; E77-Y87 WeakPolarHBondContact CA-O 3.47Å; E77-L140 HydrophobicContact CG-CD1 4.05Å; E77-L140 HydrophobicContact CG-CD2 4.14Å
78	M	96.1	Very high	90.3	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	121.5	167.2	47.7	130.9	161	0	0	112.8	V52 S62 K63 Y76 M86 Y87 V89 V91 Y135 F137	V52-M78 HydrophobicContact CG2-CE 4.22Å; S62-M78 WeakPolarHBondContact O-CB 3.49Å; K63-M78 HydrophobicContact CG-CE 4.49Å; Y76-M78 PolarHBondContact O-N 3.39Å; M78-M86 CarbonylContact O-C 3.49Å; M78-M86 VanDerWaalsContact O-CA 3.29Å; M78-M86 WeakPolarHBondContact O-CA 3.39Å; M78-Y87 PolarHBondContact N-O 3.46Å; M78-Y87 PolarHBondContact O-N 2.66Å; M78-V89 HydrophobicContact CB-CG2 4.17Å; M78-V89 HydrophobicContact CE-CB 4.36Å; M78-V89 HydrophobicContact CE-CG1 4.07Å; M78-V89 HydrophobicContact CG-CB 3.94Å; M78-V89 HydrophobicContact CG-CG1 4.48Å; M78-V89 HydrophobicContact CG-CG2 3.65Å; M78-V89 HydrophobicContact SD-CB 4.23Å; M78-V89 HydrophobicContact SD-CG1 4.13Å; M78-V89 HydrophobicContact SD-CG2 4.1Å; M78-V91 HydrophobicContact CE-CG2 3.73Å; M78-Y135 HydrophobicContact CE-CD1 3.79Å; M78-Y135 HydrophobicContact CE-CE1 3.88Å; M78-F137 HydrophobicContact SD-CE1 4.43Å; M78-F137 HydrophobicContact SD-CZ 4.07Å
79	T	96.9	Very high	90.9	Very high	37 Å²	37	60 Å²	60	23%	0.227	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.2	165.4	-54.6	0	0	0	0	110.8	Y61 S62 L81 M86	Y61-T79 CarbonylContact C-O 3.58Å; Y61-T79 VanDerWaalsContact CA-O 3.29Å; Y61-T79 WeakPolarHBondContact CA-O 3.44Å; S62-T79 PolarHBondContact N-O 3.37Å; S62-T79 PolarHBondContact O-N 2.94Å; T79-L81 PolarHBondContact O-N 3.43Å; T79-M86 HydrophobicContact CG2-CG 4.48Å
80	D	96.2	Very high	91.4	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	120.7	173.9	-179.9	-31.9	0	0	0	110.2	Y61 S82 N83 K84 K85 Y87	Y61-D80 HydrophobicContact CD1-CB 3.85Å; Y61-D80 HydrophobicContact CE1-CB 3.8Å; D80-S82 VanDerWaalsContact C-N 3.29Å; D80-S82 PolarHBondContact O-N 2.86Å; D80-S82 WeakPolarHBondContact OD1-CA 3.41Å; D80-S82 WeakPolarHBondContact OD1-CB 3.38Å; D80-S82 PolarHBondContact OD1-N 3.01Å; D80-S82 PolarHBondContact OD1-OG 3.39Å; D80-N83 WeakPolarHBondContact CB-OD1 3.38Å; D80-N83 PolarHBondContact OD1-N 2.81Å; D80-N83 PolarHBondContact OD1-ND2 2.7Å; D80-N83 PolarHBondContact OD2-ND2 2.96Å; D80-N83 PolarHBondContact OD2-OD1 3.1Å; D80-K84 WeakPolarHBondContact O-CA 3.41Å; D80-K84 PolarHBondContact O-N 2.89Å; D80-K85 PolarHBondContact N-O 3.07Å; D80-Y87 HydrophobicContact CB-CE2 3.96Å
81	L	94.9	Very high	92.6	Very high	67 Å²	67	51.7 Å²	51.7	35%	0.351	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.5	-174.8	-69.7	176.9	0	0	0	113.3	V51 S60 T79 K84	V51-L81 HydrophobicContact CG1-CD1 4.13Å; V51-L81 HydrophobicContact CG2-CD1 4.35Å; S60-L81 VanDerWaalsContact O-CB 3.3Å; S60-L81 WeakPolarHBondContact O-CB 3.35Å; S60-L81 PolarHBondContact O-N 3.42Å; T79-L81 PolarHBondContact O-N 3.43Å; L81-K84 PolarHBondContact O-NZ 3.19Å
82	S	94	Very high	93.6	Very high	88 Å²	88	48.4 Å²	48.4	62%	0.615	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-45	179.6	70.5	0	0	0	0	112.5	D80	D80-S82 VanDerWaalsContact C-N 3.29Å; D80-S82 PolarHBondContact O-N 2.86Å; D80-S82 WeakPolarHBondContact OD1-CA 3.41Å; D80-S82 WeakPolarHBondContact OD1-CB 3.38Å; D80-S82 PolarHBondContact OD1-N 3.01Å; D80-S82 PolarHBondContact OD1-OG 3.39Å
83	N	93.4	Very high	94.6	Very high	82 Å²	82	45 Å²	45	44%	0.439	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	2.9	-171.6	57	57.6	0	0	0	114.1	D80 K85	D80-N83 WeakPolarHBondContact CB-OD1 3.38Å; D80-N83 PolarHBondContact OD1-N 2.81Å; D80-N83 PolarHBondContact OD1-ND2 2.7Å; D80-N83 PolarHBondContact OD2-ND2 2.96Å; D80-N83 PolarHBondContact OD2-OD1 3.1Å; N83-K85 PolarHBondContact O-N 3.26Å; N83-K85 VanDerWaalsContact O-N 3.09Å; N83-K85 WeakPolarHBondContact OD1-CB 3.28Å; N83-K85 PolarHBondContact OD1-N 3.12Å
84	K	93.8	Very high	94.9	Very high	141 Å²	141	46.5 Å²	46.5	61%	0.613	23%	0.234	S	C	*	.			trans	60.3	11.8	179.6	-46.3	-50.2	-178.1	-162	0	115.3	D80 L81	D80-K84 WeakPolarHBondContact O-CA 3.41Å; D80-K84 PolarHBondContact O-N 2.89Å; L81-K84 PolarHBondContact O-NZ 3.19Å
85	K	95.1	Very high	94.8	Very high	109 Å²	109	46.2 Å²	46.2	47%	0.474	25%	0.248	S	C	.	.			trans	-71.9	136.3	177.8	-174.4	173.1	158.3	-148.6	0	111.1	D80 N83 Y87	D80-K85 PolarHBondContact N-O 3.07Å; N83-K85 PolarHBondContact O-N 3.26Å; N83-K85 VanDerWaalsContact O-N 3.09Å; N83-K85 WeakPolarHBondContact OD1-CB 3.28Å; N83-K85 PolarHBondContact OD1-N 3.12Å; K85-Y87 HydrophobicContact CB-CE2 4.06Å; K85-Y87 HydrophobicContact CD-CE1 4.35Å; K85-Y87 HydrophobicContact CD-CE2 4.28Å; K85-Y87 WeakPolarHBondContact CD-OH 3.48Å; K85-Y87 WeakPolarHBondContact CE-OH 2.94Å; K85-Y87 HydrophobicContact CG-CE2 3.97Å; K85-Y87 PolarHBondContact NZ-OH 2.97Å; K85-Y87 WeakPolarHBondContact O-CD2 3.49Å; K85-Y87 WeakPolarHBondContact O-CE2 3.37Å
86	M	96.2	Very high	94.5	Very high	106 Å²	106	49.5 Å²	49.5	52%	0.522	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	148.9	177.7	-61.1	-173.7	-69.4	0	0	112.2	M78 T79 L140	M78-M86 CarbonylContact O-C 3.49Å; M78-M86 VanDerWaalsContact O-CA 3.29Å; M78-M86 WeakPolarHBondContact O-CA 3.39Å; T79-M86 HydrophobicContact CG2-CG 4.48Å; M86-L140 HydrophobicContact CB-CD2 3.64Å; M86-L140 HydrophobicContact CE-CD2 4.49Å; M86-L140 HydrophobicContact SD-CD2 4.38Å
87	Y	97.3	Very high	94.2	Very high	15 Å²	15	47.7 Å²	47.7	6%	0.059	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	150.5	-176.6	-63.4	-88	0	0	0	110.5	E77 M78 D80 K85 S125 F137 L138	E77-Y87 CarbonylContact C-O 3.47Å; E77-Y87 WeakPolarHBondContact CA-O 3.47Å; M78-Y87 PolarHBondContact N-O 3.46Å; M78-Y87 PolarHBondContact O-N 2.66Å; D80-Y87 HydrophobicContact CB-CE2 3.96Å; K85-Y87 HydrophobicContact CB-CE2 4.06Å; K85-Y87 HydrophobicContact CD-CE1 4.35Å; K85-Y87 HydrophobicContact CD-CE2 4.28Å; K85-Y87 WeakPolarHBondContact CD-OH 3.48Å; K85-Y87 WeakPolarHBondContact CE-OH 2.94Å; K85-Y87 HydrophobicContact CG-CE2 3.97Å; K85-Y87 PolarHBondContact NZ-OH 2.97Å; K85-Y87 WeakPolarHBondContact O-CD2 3.49Å; K85-Y87 WeakPolarHBondContact O-CE2 3.37Å; Y87-S125 WeakPolarHBondContact CE1-OG 3.5Å; Y87-F137 HydrophobicContact CD1-CB 4.3Å; Y87-F137 HydrophobicContact CD1-CD1 4.36Å; Y87-F137 HydrophobicContact CD2-CD1 4.05Å; Y87-F137 AromaticContact CG-CD1 3.85Å; Y87-F137 HydrophobicContact CG-CD1 3.85Å; Y87-L138 WeakPolarHBondContact CA-O 3.3Å
88	A	96.6	Very high	93.8	Very high	21 Å²	21	50.6 Å²	50.6	17%	0.174	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.1	160.7	0	0	0	0	0	108	L67 L138 L140	L67-A88 HydrophobicContact CD1-CB 3.86Å; A88-L138 PolarHBondContact N-O 2.86Å; A88-L138 WeakPolarHBondContact O-CA 3.29Å; A88-L138 WeakPolarHBondContact O-CB 3.12Å; A88-L138 PolarHBondContact O-N 2.93Å; A88-L140 HydrophobicContact CB-CD1 4.02Å
89	V	96.4	Very high	93.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	116.5	-174.3	-172.9	0	0	0	0	110.3	C75 Y76 M78 V91 Y135 I136 F137	C75-V89 CarbonylContact C-O 3.33Å; C75-V89 VanDerWaalsContact CA-O 3.3Å; C75-V89 WeakPolarHBondContact CA-O 3.31Å; Y76-V89 PolarHBondContact N-O 3.17Å; Y76-V89 PolarHBondContact O-N 3.47Å; M78-V89 HydrophobicContact CB-CG2 4.17Å; M78-V89 HydrophobicContact CE-CB 4.36Å; M78-V89 HydrophobicContact CE-CG1 4.07Å; M78-V89 HydrophobicContact CG-CB 3.94Å; M78-V89 HydrophobicContact CG-CG1 4.48Å; M78-V89 HydrophobicContact CG-CG2 3.65Å; M78-V89 HydrophobicContact SD-CB 4.23Å; M78-V89 HydrophobicContact SD-CG1 4.13Å; M78-V89 HydrophobicContact SD-CG2 4.1Å; V89-V91 HydrophobicContact CG1-CG2 4.2Å; V89-Y135 HydrophobicContact CG1-CD1 4.3Å; V89-I136 VanDerWaalsContact CA-O 3.3Å; V89-I136 WeakPolarHBondContact CA-O 3.49Å; V89-F137 HydrophobicContact CG1-CD2 4Å; V89-F137 HydrophobicContact CG1-CE1 4.42Å; V89-F137 HydrophobicContact CG1-CE2 3.84Å; V89-F137 HydrophobicContact CG1-CG 4.34Å; V89-F137 HydrophobicContact CG1-CZ 4.06Å; V89-F137 HydrophobicContact CG2-CD1 3.43Å; V89-F137 VanDerWaalsContact CG2-CD1 3.43Å; V89-F137 HydrophobicContact CG2-CD2 4.31Å; V89-F137 HydrophobicContact CG2-CE1 3.5Å; V89-F137 VanDerWaalsContact CG2-CE1 3.5Å; V89-F137 HydrophobicContact CG2-CE2 4.35Å; V89-F137 HydrophobicContact CG2-CG 3.86Å; V89-F137 HydrophobicContact CG2-CZ 3.97Å
90	K	94.9	Very high	93.1	Very high	22 Å²	22	59 Å²	59	10%	0.096	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	123	166.1	-73.7	-176.3	168.4	-170	0	108.1	A73 E109 Y135 I136 D202	A73-K90 HydrophobicContact CB-CB 4.48Å; K90-E109 IonicContact NZ-OE1 3.7Å; K90-E109 PolarHBondContact NZ-OE1 2.77Å; K90-E109 IonicContact NZ-OE2 3.36Å; K90-E109 PolarHBondContact NZ-OE2 3.36Å; K90-Y135 WeakPolarHBondContact O-CA 3.4Å; K90-I136 HydrophobicContact CB-CB 4.23Å; K90-I136 HydrophobicContact CD-CD1 4.5Å; K90-I136 PolarHBondContact N-O 3.17Å; K90-I136 PolarHBondContact O-N 2.82Å; K90-D202 IonicContact NZ-OD1 2.66Å; K90-D202 PolarHBondContact NZ-OD1 3.3Å
91	V	95.3	Very high	92.6	Very high	14 Å²	14	64 Å²	64	9%	0.085	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121	174.3	-172.4	0	0	0	0	108.6	A73 R74 Y76 M78 V89 N133 I134 Y135	A73-V91 WeakPolarHBondContact CA-O 3.31Å; R74-V91 PolarHBondContact N-O 3.15Å; R74-V91 PolarHBondContact O-N 3.25Å; Y76-V91 HydrophobicContact CD2-CB 4.32Å; Y76-V91 HydrophobicContact CD2-CG2 3.75Å; Y76-V91 HydrophobicContact CE2-CB 4.38Å; Y76-V91 HydrophobicContact CE2-CG2 4.24Å; M78-V91 HydrophobicContact CE-CG2 3.73Å; V89-V91 HydrophobicContact CG1-CG2 4.2Å; V91-N133 HydrophobicContact CG1-CB 3.86Å; V91-I134 WeakPolarHBondContact CA-O 3.12Å; V91-Y135 HydrophobicContact CB-CD1 4.45Å; V91-Y135 HydrophobicContact CG1-CD1 4.09Å; V91-Y135 HydrophobicContact CG1-CE1 3.79Å; V91-Y135 HydrophobicContact CG2-CD1 3.8Å; V91-Y135 HydrophobicContact CG2-CE1 4.04Å
92	I	94.3	Very high	92.2	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.015	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	111.8	-175.4	-58.9	163	0	0	0	108.3	F72 A73 Q94 V97 I106 N133 I134 I136	F72-I92 HydrophobicContact CB-CG2 4.27Å; A73-I92 HydrophobicContact CB-CD1 4.48Å; A73-I92 HydrophobicContact CB-CG1 3.71Å; I92-Q94 PolarHBondContact O-N 3.07Å; I92-V97 HydrophobicContact CG2-CG1 3.96Å; I92-I106 HydrophobicContact CD1-CD1 3.9Å; I92-I106 HydrophobicContact CD1-CG1 4.21Å; I92-I106 HydrophobicContact CD1-CG2 3.86Å; I92-N133 CarbonylContact O-C 3.58Å; I92-N133 WeakPolarHBondContact O-CA 3.43Å; I92-I134 HydrophobicContact CB-CB 4.35Å; I92-I134 PolarHBondContact N-O 3.3Å; I92-I134 PolarHBondContact O-N 3.14Å; I92-I136 HydrophobicContact CD1-CD1 4.02Å
93	P	93.6	Very high	92	Very high	21 Å²	21	62.7 Å²	62.7	14%	0.136	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	135.7	177.4	-25.3	34.2	0	0	0	112.7	S95 R96 D132	P93-S95 PolarHBondContact O-N 3.22Å; P93-R96 HydrophobicContact CB-CG 4.42Å; P93-R96 WeakPolarHBondContact O-CB 3.22Å; P93-R96 PolarHBondContact O-N 3.29Å; P93-D132 CarbonylContact C-O 3.56Å; P93-D132 VanDerWaalsContact CA-O 3.27Å; P93-D132 WeakPolarHBondContact CA-O 3.49Å
94	Q	92.3	Very high	91.9	Very high	41 Å²	41	62.7 Å²	62.7	19%	0.192	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-54.2	-37.6	177.2	-65.7	-75.7	12	0	0	111.3	I92 R96 V97 S98 E129 D130 D132	I92-Q94 PolarHBondContact O-N 3.07Å; Q94-R96 PolarHBondContact O-N 3.2Å; Q94-R96 VanDerWaalsContact O-N 3.13Å; Q94-V97 CarbonylContact O-C 3.5Å; Q94-V97 VanDerWaalsContact O-CG2 3.28Å; Q94-V97 WeakPolarHBondContact O-CG2 3.35Å; Q94-V97 PolarHBondContact O-N 3Å; Q94-S98 PolarHBondContact O-N 2.9Å; Q94-E129 PolarHBondContact NE2-OE2 2.93Å; Q94-D130 PolarHBondContact NE2-O 2.86Å; Q94-D130 VanDerWaalsContact NE2-O 3.17Å; Q94-D132 PolarHBondContact N-O 2.91Å
95	S	90.4	Very high	91.6	Very high	92 Å²	92	62.3 Å²	62.3	64%	0.643	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-57	-27	175.4	56.7	0	0	0	0	114.2	P93 S98	P93-S95 PolarHBondContact O-N 3.22Å; S95-S98 PolarHBondContact O-OG 3.45Å
96	R	86.1	Confident	91.4	Very high	104 Å²	104	57.8 Å²	57.8	39%	0.392	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-86.1	-6.7	176.8	-70.6	-174.6	160.2	-143.8	-14	114.4	G71 F72 P93 Q94 Q102	G71-R96 PolarHBondContact O-NH1 3.01Å; F72-R96 HydrophobicContact CD1-CB 4.2Å; F72-R96 WeakPolarHBondContact O-CD 3.41Å; F72-R96 PolarHBondContact O-NH1 3.22Å; P93-R96 HydrophobicContact CB-CG 4.42Å; P93-R96 WeakPolarHBondContact O-CB 3.22Å; P93-R96 PolarHBondContact O-N 3.29Å; Q94-R96 PolarHBondContact O-N 3.2Å; Q94-R96 VanDerWaalsContact O-N 3.13Å; R96-Q102 PolarHBondContact O-OE1 3.4Å
97	V	88.6	Confident	91.1	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.03	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-122.4	24.9	175.2	-66.3	0	0	0	0	111.9	I92 Q94 K99 Q102 R103 I106 I134	I92-V97 HydrophobicContact CG2-CG1 3.96Å; Q94-V97 CarbonylContact O-C 3.5Å; Q94-V97 VanDerWaalsContact O-CG2 3.28Å; Q94-V97 WeakPolarHBondContact O-CG2 3.35Å; Q94-V97 PolarHBondContact O-N 3Å; V97-K99 PolarHBondContact O-N 2.91Å; V97-Q102 HydrophobicContact CB-CB 4.45Å; V97-Q102 HydrophobicContact CG1-CB 4.46Å; V97-R103 HydrophobicContact CB-CB 4.32Å; V97-I106 HydrophobicContact CG1-CG1 3.8Å; V97-I134 HydrophobicContact CG2-CD1 4.01Å
98	S	86.7	Confident	90.8	Very high	91 Å²	91	60.3 Å²	60.3	64%	0.636	32%	0.315	S	S	*	.			trans	-66.3	-18.6	-178.5	46.4	0	0	0	0	114.3	Q94 S95	Q94-S98 PolarHBondContact O-N 2.9Å; S95-S98 PolarHBondContact O-OG 3.45Å
99	K	89.7	Confident	90.6	Very high	121 Å²	121	60.1 Å²	60.1	53%	0.526	31%	0.311	S	S	.	.	S	Bend	trans	-96	136	172.3	-55.2	-173.8	179.9	-172.2	0	110	V97 H101 Q102 R103	V97-K99 PolarHBondContact O-N 2.91Å; K99-H101 PolarHBondContact O-N 3.27Å; K99-Q102 HydrophobicContact CB-CG 4.13Å; K99-Q102 WeakPolarHBondContact O-CA 3.42Å; K99-Q102 WeakPolarHBondContact O-CB 3.45Å; K99-Q102 PolarHBondContact O-N 2.62Å; K99-R103 PolarHBondContact O-N 3.38Å
100	P	88.9	Confident	90.5	Very high	96 Å²	96	60.5 Å²	60.5	62%	0.623	31%	0.313	S	S	*	.	H	α-helix	trans	-48.1	-53	-176.8	-31.5	35.8	0	0	0	113.8	Q102 R103 D104	P100-Q102 PolarHBondContact O-N 3.46Å; P100-R103 CarbonylContact O-C 3.43Å; P100-R103 WeakPolarHBondContact O-CA 3.14Å; P100-R103 WeakPolarHBondContact O-CB 3.49Å; P100-R103 PolarHBondContact O-N 3.04Å; P100-D104 PolarHBondContact O-N 3.34Å; P100-D104 VanDerWaalsContact O-OD2 3.09Å
101	H	86.4	Confident	90.4	Very high	104 Å²	104	63.8 Å²	63.8	48%	0.481	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-11.6	179.1	74.5	-101.4	0	0	0	115.8	K99 D104 K105	K99-H101 PolarHBondContact O-N 3.27Å; H101-D104 WeakPolarHBondContact CA-OD2 3.17Å; H101-D104 PolarHBondContact N-OD2 3Å; H101-K105 WeakPolarHBondContact O-CD 3.47Å; H101-K105 WeakPolarHBondContact O-CG 3.25Å
102	Q	86.8	Confident	90.4	Very high	40 Å²	40	64.4 Å²	64.4	19%	0.187	33%	0.331	C	S	.	.	H	α-helix	trans	-89.5	-44.5	171.3	-61.8	175	-42.6	0	0	110.2	R96 V97 K99 P100 K105 I106	R96-Q102 PolarHBondContact O-OE1 3.4Å; V97-Q102 HydrophobicContact CB-CB 4.45Å; V97-Q102 HydrophobicContact CG1-CB 4.46Å; K99-Q102 HydrophobicContact CB-CG 4.13Å; K99-Q102 WeakPolarHBondContact O-CA 3.42Å; K99-Q102 WeakPolarHBondContact O-CB 3.45Å; K99-Q102 PolarHBondContact O-N 2.62Å; P100-Q102 PolarHBondContact O-N 3.46Å; Q102-K105 PolarHBondContact O-N 2.88Å; Q102-I106 PolarHBondContact O-N 2.67Å
103	R	90.3	Very high	90.4	Very high	88 Å²	88	64.4 Å²	64.4	33%	0.332	33%	0.331	S	S	.	.	H	α-helix	trans	-59.5	-46.7	172.8	-164.1	174.5	-174.6	83.6	10.2	111.1	V97 K99 P100 K105 I106 T107 E129	V97-R103 HydrophobicContact CB-CB 4.32Å; K99-R103 PolarHBondContact O-N 3.38Å; P100-R103 CarbonylContact O-C 3.43Å; P100-R103 WeakPolarHBondContact O-CA 3.14Å; P100-R103 WeakPolarHBondContact O-CB 3.49Å; P100-R103 PolarHBondContact O-N 3.04Å; R103-K105 PolarHBondContact O-N 3.23Å; R103-I106 PolarHBondContact O-N 3.26Å; R103-T107 PolarHBondContact O-N 2.95Å; R103-T107 PolarHBondContact O-OG1 3.45Å; R103-E129 IonicContact CZ-OE2 2.82Å; R103-E129 IonicContact NH1-OE2 3.61Å; R103-E129 IonicContact NH2-OE1 3.56Å; R103-E129 PolarHBondContact NH2-OE1 2.95Å; R103-E129 IonicContact NH2-OE2 3.52Å; R103-E129 PolarHBondContact NH2-OE2 2.83Å
104	D	89.6	Confident	90.5	Very high	82 Å²	82	66.2 Å²	66.2	44%	0.439	34%	0.337	S	S	.	.	H	α-helix	trans	-54.8	-37.5	177.9	-59.6	-31.9	0	0	0	112.4	P100 H101 N108	P100-D104 PolarHBondContact O-N 3.34Å; P100-D104 VanDerWaalsContact O-OD2 3.09Å; H101-D104 WeakPolarHBondContact CA-OD2 3.17Å; H101-D104 PolarHBondContact N-OD2 3Å; D104-N108 VanDerWaalsContact O-CB 3.32Å; D104-N108 WeakPolarHBondContact O-CB 3.18Å; D104-N108 PolarHBondContact O-N 2.93Å; D104-N108 PolarHBondContact O-ND2 2.77Å
105	K	87.6	Confident	90.7	Very high	134 Å²	134	67.6 Å²	67.6	58%	0.583	35%	0.348	S	S	*	.	H	α-helix	trans	-66.4	-41	176.9	-73.6	173.8	-178	-178.9	0	112.1	H101 Q102 R103 N108 E109	H101-K105 WeakPolarHBondContact O-CD 3.47Å; H101-K105 WeakPolarHBondContact O-CG 3.25Å; Q102-K105 PolarHBondContact O-N 2.88Å; R103-K105 PolarHBondContact O-N 3.23Å; K105-N108 PolarHBondContact O-N 3.15Å; K105-E109 PolarHBondContact O-N 2.95Å
106	I	90.6	Very high	91	Very high	13 Å²	13	63.2 Å²	63.2	7%	0.067	32%	0.318	C	S	.	.	H	α-helix	trans	-70.6	-41.6	177.8	-56.8	-48.6	0	0	0	110.6	I92 V97 Q102 R103 N108 E109 I110 I134 I136	I92-I106 HydrophobicContact CD1-CD1 3.9Å; I92-I106 HydrophobicContact CD1-CG1 4.21Å; I92-I106 HydrophobicContact CD1-CG2 3.86Å; V97-I106 HydrophobicContact CG1-CG1 3.8Å; Q102-I106 PolarHBondContact O-N 2.67Å; R103-I106 PolarHBondContact O-N 3.26Å; I106-N108 VanDerWaalsContact C-N 3.35Å; I106-N108 PolarHBondContact O-N 2.65Å; I106-E109 PolarHBondContact O-N 3.2Å; I106-I110 HydrophobicContact CG2-CD1 3.77Å; I106-I110 HydrophobicContact CG2-CG1 4.47Å; I106-I110 WeakPolarHBondContact O-CB 3.49Å; I106-I110 WeakPolarHBondContact O-CD1 3.37Å; I106-I110 VanDerWaalsContact O-CG1 3.23Å; I106-I110 WeakPolarHBondContact O-CG1 3.29Å; I106-I110 PolarHBondContact O-N 3.01Å; I106-I134 HydrophobicContact CG2-CD1 4.43Å; I106-I134 HydrophobicContact CG2-CG2 4.48Å; I106-I136 HydrophobicContact CG2-CD1 4.27Å
107	T	91.6	Very high	91.5	Very high	64 Å²	64	63.8 Å²	63.8	39%	0.393	32%	0.324	S	S	.	.	H	α-helix	trans	-58.2	-46	172.2	-51.4	0	0	0	0	111.4	R103 I110 E111	R103-T107 PolarHBondContact O-N 2.95Å; R103-T107 PolarHBondContact O-OG1 3.45Å; T107-I110 PolarHBondContact O-N 2.97Å; T107-E111 HydrophobicContact CG2-CG 4.43Å; T107-E111 WeakPolarHBondContact O-CG 3.21Å; T107-E111 PolarHBondContact O-N 2.82Å
108	N	90.1	Very high	92	Very high	111 Å²	111	66.2 Å²	66.2	59%	0.594	34%	0.335	S	S	*	.	H	α-helix	trans	-66.4	-38.2	177.7	-82	-73.4	0	0	0	113	D104 K105 I106 I110 L112	D104-N108 VanDerWaalsContact O-CB 3.32Å; D104-N108 WeakPolarHBondContact O-CB 3.18Å; D104-N108 PolarHBondContact O-N 2.93Å; D104-N108 PolarHBondContact O-ND2 2.77Å; K105-N108 PolarHBondContact O-N 3.15Å; I106-N108 VanDerWaalsContact C-N 3.35Å; I106-N108 PolarHBondContact O-N 2.65Å; N108-I110 VanDerWaalsContact C-N 3.34Å; N108-L112 WeakPolarHBondContact O-CB 3.49Å; N108-L112 PolarHBondContact O-N 3.05Å
109	E	92.1	Very high	92.5	Very high	16 Å²	16	67.2 Å²	67.2	8%	0.075	33%	0.328	C	S	.	.	H	α-helix	trans	-59	-47.8	171.8	180	-179.7	172.1	0	0	110.5	K90 K105 I106 H113 F203 G204	K90-E109 IonicContact NZ-OE1 3.7Å; K90-E109 PolarHBondContact NZ-OE1 2.77Å; K90-E109 IonicContact NZ-OE2 3.36Å; K90-E109 PolarHBondContact NZ-OE2 3.36Å; K105-E109 PolarHBondContact O-N 2.95Å; I106-E109 PolarHBondContact O-N 3.2Å; E109-H113 WeakPolarHBondContact O-CB 3.44Å; E109-H113 PolarHBondContact O-N 2.9Å; E109-F203 HydrophobicContact CG-CB 4.34Å; E109-G204 VanDerWaalsContact CD-CA 3.48Å; E109-G204 VanDerWaalsContact OE2-CA 3.29Å; E109-G204 WeakPolarHBondContact OE2-CA 3.46Å
110	I	93.9	Very high	92.9	Very high	8 Å²	8	62.2 Å²	62.2	4%	0.041	31%	0.307	C	S	.	.	H	α-helix	trans	-63.8	-51.3	-178.1	-71.2	167.1	0	0	0	111.4	I106 T107 N108 H113 K114 F124 I134 I136	I106-I110 HydrophobicContact CG2-CD1 3.77Å; I106-I110 HydrophobicContact CG2-CG1 4.47Å; I106-I110 WeakPolarHBondContact O-CB 3.49Å; I106-I110 WeakPolarHBondContact O-CD1 3.37Å; I106-I110 VanDerWaalsContact O-CG1 3.23Å; I106-I110 WeakPolarHBondContact O-CG1 3.29Å; I106-I110 PolarHBondContact O-N 3.01Å; T107-I110 PolarHBondContact O-N 2.97Å; N108-I110 VanDerWaalsContact C-N 3.34Å; I110-H113 PolarHBondContact O-N 2.78Å; I110-K114 HydrophobicContact CG2-CD 3.98Å; I110-K114 HydrophobicContact CG2-CG 4.46Å; I110-K114 WeakPolarHBondContact O-CB 3.43Å; I110-K114 VanDerWaalsContact O-CG 3.22Å; I110-K114 WeakPolarHBondContact O-CG 3.4Å; I110-K114 PolarHBondContact O-N 3.27Å; I110-F124 HydrophobicContact CG2-CE2 4.26Å; I110-F124 HydrophobicContact CG2-CZ 4.1Å; I110-I134 HydrophobicContact CD1-CG2 4.41Å; I110-I136 HydrophobicContact CD1-CD1 3.77Å; I110-I136 HydrophobicContact CD1-CG1 3.9Å; I110-I136 HydrophobicContact CG1-CD1 3.65Å; I110-I136 HydrophobicContact CG1-CG1 4.02Å
111	E	94.6	Very high	93.4	Very high	92 Å²	92	57.8 Å²	57.8	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-66.5	-37.3	-179.8	-64.8	-41.6	129.3	0	0	112.6	T107 K114	T107-E111 HydrophobicContact CG2-CG 4.43Å; T107-E111 WeakPolarHBondContact O-CG 3.21Å; T107-E111 PolarHBondContact O-N 2.82Å; E111-K114 IonicContact OE1-NZ 2.66Å; E111-K114 PolarHBondContact OE1-NZ 3.32Å; E111-K114 VanDerWaalsContact OE2-CD 3.31Å; E111-K114 WeakPolarHBondContact OE2-CD 3.47Å; E111-K114 IonicContact OE2-NZ 3.97Å; E111-K114 PolarHBondContact OE2-NZ 3.05Å
112	L	93.7	Very high	93.9	Very high	27 Å²	27	53.2 Å²	53.2	14%	0.141	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-51.7	174.1	-172.7	155.4	0	0	0	110.3	N108 K114 T115 L116 I180 F203 A206	N108-L112 WeakPolarHBondContact O-CB 3.49Å; N108-L112 PolarHBondContact O-N 3.05Å; L112-K114 PolarHBondContact O-N 3.49Å; L112-T115 PolarHBondContact O-N 3.27Å; L112-T115 PolarHBondContact O-OG1 3.32Å; L112-L116 HydrophobicContact CD2-CD1 3.98Å; L112-L116 HydrophobicContact CD2-CG 4.46Å; L112-I180 HydrophobicContact CD1-CG2 4.29Å; L112-I180 HydrophobicContact CD2-CD1 4.38Å; L112-I180 HydrophobicContact CD2-CG2 4.15Å; L112-I180 HydrophobicContact CG-CD1 4.34Å; L112-F203 HydrophobicContact CD2-CB 4.38Å; L112-F203 HydrophobicContact CD2-CD1 4.07Å; L112-F203 HydrophobicContact CD2-CG 4.43Å; L112-A206 HydrophobicContact CD1-CB 3.96Å; L112-A206 HydrophobicContact CD2-CB 4.06Å
113	H	95.7	Very high	94.4	Very high	3 Å²	3	57.2 Å²	57.2	1%	0.014	27%	0.274	C	S	.	.	H	α-helix	trans	-67.3	-35	-175.2	-162.7	179.9	0	0	0	112.5	E109 I110 T115 L116 V122 F124 L138 F203	E109-H113 WeakPolarHBondContact O-CB 3.44Å; E109-H113 PolarHBondContact O-N 2.9Å; I110-H113 PolarHBondContact O-N 2.78Å; H113-T115 PolarHBondContact O-N 3.11Å; H113-T115 VanDerWaalsContact O-N 3.14Å; H113-L116 PolarHBondContact O-N 2.79Å; H113-V122 PolarHBondContact NE2-O 3.34Å; H113-F124 HydrophobicContact CB-CD2 4.03Å; H113-F124 AromaticContact CG-CD2 3.96Å; H113-L138 VanDerWaalsContact CE1-CD2 3.47Å; H113-L138 WeakPolarHBondContact CE1-CD2 3.34Å; H113-F203 HydrophobicContact CB-CD2 4.43Å; H113-F203 AromaticContact CD2-CD2 3.71Å; H113-F203 AromaticContact CD2-CE2 3.86Å; H113-F203 AromaticContact CE1-CD2 3.65Å; H113-F203 AromaticContact CE1-CE2 3.97Å; H113-F203 AromaticContact CG-CD2 3.71Å; H113-F203 AromaticContact ND1-CD2 3.68Å; H113-F203 AromaticContact NE2-CD2 3.68Å; H113-F203 AromaticContact NE2-CE2 3.63Å
114	K	95.5	Very high	94.8	Very high	59 Å²	59	54 Å²	54	26%	0.257	26%	0.262	S	S	.	.	H	α-helix	trans	-50.6	-35.1	171.2	-84.6	168.4	179.5	169.5	0	113.3	I110 E111 L112 L116 H117 F124 H127	I110-K114 HydrophobicContact CG2-CD 3.98Å; I110-K114 HydrophobicContact CG2-CG 4.46Å; I110-K114 WeakPolarHBondContact O-CB 3.43Å; I110-K114 VanDerWaalsContact O-CG 3.22Å; I110-K114 WeakPolarHBondContact O-CG 3.4Å; I110-K114 PolarHBondContact O-N 3.27Å; E111-K114 IonicContact OE1-NZ 2.66Å; E111-K114 PolarHBondContact OE1-NZ 3.32Å; E111-K114 VanDerWaalsContact OE2-CD 3.31Å; E111-K114 WeakPolarHBondContact OE2-CD 3.47Å; E111-K114 IonicContact OE2-NZ 3.97Å; E111-K114 PolarHBondContact OE2-NZ 3.05Å; L112-K114 PolarHBondContact O-N 3.49Å; K114-L116 VanDerWaalsContact C-N 3.31Å; K114-L116 PolarHBondContact O-N 2.96Å; K114-H117 PolarHBondContact O-CE1 3.32Å; K114-F124 HydrophobicContact CD-CE1 4.35Å; K114-F124 HydrophobicContact CD-CZ 4.37Å; K114-F124 HydrophobicContact CG-CD1 3.78Å; K114-F124 HydrophobicContact CG-CE1 3.4Å; K114-F124 HydrophobicContact CG-CE2 4.17Å; K114-F124 HydrophobicContact CG-CG 4.34Å; K114-F124 HydrophobicContact CG-CZ 3.63Å; K114-H127 PolarHBondContact NZ-CE1 3Å; K114-H127 PolarHBondContact NZ-NE2 3.35Å
115	T	95.5	Very high	95.1	Very high	69 Å²	69	52.3 Å²	52.3	42%	0.423	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-16.8	-179.2	70.7	0	0	0	0	113.9	L112 H113 H117 R178	L112-T115 PolarHBondContact O-N 3.27Å; L112-T115 PolarHBondContact O-OG1 3.32Å; H113-T115 PolarHBondContact O-N 3.11Å; H113-T115 VanDerWaalsContact O-N 3.14Å; T115-H117 PolarHBondContact O-ND1 3.25Å; T115-R178 PolarHBondContact O-NH1 2.95Å
116	L	96.7	Very high	95.4	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.238	C	C	.	.			trans	-87.4	120.5	-166.8	-53.2	-176.3	0	0	0	112.8	L112 H113 K114 V121 Y174 L175 I180 F203	L112-L116 HydrophobicContact CD2-CD1 3.98Å; L112-L116 HydrophobicContact CD2-CG 4.46Å; H113-L116 PolarHBondContact O-N 2.79Å; K114-L116 VanDerWaalsContact C-N 3.31Å; K114-L116 PolarHBondContact O-N 2.96Å; L116-V121 HydrophobicContact CB-CG1 4.05Å; L116-V121 HydrophobicContact CD1-CG1 4.2Å; L116-Y174 HydrophobicContact CB-CE1 4.38Å; L116-Y174 HydrophobicContact CD2-CE1 4.14Å; L116-L175 HydrophobicContact CD1-CD2 3.83Å; L116-L175 HydrophobicContact CD2-CD2 4.01Å; L116-I180 HydrophobicContact CD2-CD1 3.76Å; L116-F203 HydrophobicContact CD1-CD1 3.81Å; L116-F203 HydrophobicContact CD1-CD2 4.24Å; L116-F203 HydrophobicContact CD1-CE1 3.46Å; L116-F203 VanDerWaalsContact CD1-CE1 3.46Å; L116-F203 HydrophobicContact CD1-CE2 3.93Å; L116-F203 HydrophobicContact CD1-CG 4.21Å; L116-F203 HydrophobicContact CD1-CZ 3.54Å
117	H	96.8	Very high	95.7	Very high	116 Å²	116	50.4 Å²	50.4	54%	0.537	25%	0.25	S	C	.	.			trans	-139.3	91.6	-175.4	-71	83.6	0	0	0	109.3	K114 T115 Y174	K114-H117 PolarHBondContact O-CE1 3.32Å; T115-H117 PolarHBondContact O-ND1 3.25Å; H117-Y174 PolarHBondContact N-OH 3.24Å; H117-Y174 WeakPolarHBondContact O-CE2 3.41Å; H117-Y174 PolarHBondContact O-OH 2.93Å
118	H	98.4	Very high	95.9	Very high	55 Å²	55	47.8 Å²	47.8	26%	0.255	23%	0.233	S	C	.	.			trans	-153.8	148.5	-179.6	-178.1	-113.4	0	0	0	111.6	H120 V121 S170 Y174	H118-H120 PolarHBondContact ND1-N 3.05Å; H118-H120 PolarHBondContact O-N 3.36Å; H118-H120 VanDerWaalsContact O-N 3.17Å; H118-V121 HydrophobicContact CB-CB 4.27Å; H118-V121 HydrophobicContact CB-CG2 4.07Å; H118-V121 PolarHBondContact O-N 3.16Å; H118-V121 VanDerWaalsContact O-N 3.15Å; H118-S170 PolarHBondContact CE1-O 2.8Å; H118-S170 PolarHBondContact CE1-OG 2.98Å; H118-S170 VanDerWaalsContact CE1-OG 3.29Å; H118-Y174 HydrophobicContact CB-CD1 3.55Å; H118-Y174 HydrophobicContact CB-CD2 3.72Å; H118-Y174 HydrophobicContact CB-CE1 3.73Å; H118-Y174 HydrophobicContact CB-CE2 3.89Å; H118-Y174 HydrophobicContact CB-CG 3.54Å; H118-Y174 AromaticContact CD2-CD2 3.9Å; H118-Y174 AromaticContact CD2-CG 4Å; H118-Y174 AromaticContact CG-CD2 3.85Å; H118-Y174 AromaticContact CG-CG 3.59Å
119	K	97.8	Very high	96.2	Very high	112 Å²	112	45.5 Å²	45.5	49%	0.487	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.2	-176.9	-178.9	176.5	176.9	178.1	0	113.4	E197 R199	K119-E197 WeakPolarHBondContact CE-OE1 3.43Å; K119-E197 WeakPolarHBondContact CE-OE2 3.33Å; K119-E197 IonicContact NZ-OE1 3.41Å; K119-E197 PolarHBondContact NZ-OE1 3.15Å; K119-E197 IonicContact NZ-OE2 3.01Å; K119-R199 WeakPolarHBondContact O-CD 3.29Å; K119-R199 PolarHBondContact O-NE 3.42Å; K119-R199 PolarHBondContact O-NH1 3.27Å
120	H	98.4	Very high	96.2	Very high	17 Å²	17	47 Å²	47	8%	0.079	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	28.6	-177.5	-62.3	-62.6	0	0	0	113	H118 Q167 L198 L200	H118-H120 PolarHBondContact ND1-N 3.05Å; H118-H120 PolarHBondContact O-N 3.36Å; H118-H120 VanDerWaalsContact O-N 3.17Å; H120-Q167 WeakPolarHBondContact CB-O 3.48Å; H120-Q167 PolarHBondContact CE1-OE1 3.05Å; H120-Q167 PolarHBondContact ND1-OE1 3.46Å; H120-L198 WeakPolarHBondContact CA-O 3.38Å; H120-L198 PolarHBondContact ND1-O 2.72Å; H120-L200 WeakPolarHBondContact O-CB 3.33Å; H120-L200 WeakPolarHBondContact O-CG 3.49Å; H120-L200 PolarHBondContact O-N 3.23Å
121	V	98.3	Very high	96.1	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.018	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-124.8	137	169.3	172.3	0	0	0	0	108.3	L116 H118 K123 Y174 L200 F203	L116-V121 HydrophobicContact CB-CG1 4.05Å; L116-V121 HydrophobicContact CD1-CG1 4.2Å; H118-V121 HydrophobicContact CB-CB 4.27Å; H118-V121 HydrophobicContact CB-CG2 4.07Å; H118-V121 PolarHBondContact O-N 3.16Å; H118-V121 VanDerWaalsContact O-N 3.15Å; V121-K123 PolarHBondContact O-N 3.09Å; V121-Y174 HydrophobicContact CG2-CD1 4.2Å; V121-L200 HydrophobicContact CG2-CB 4.44Å; V121-F203 HydrophobicContact CG1-CE2 3.84Å; V121-F203 HydrophobicContact CG1-CZ 3.68Å
122	V	97.9	Very high	95.9	Very high	8 Å²	8	56.7 Å²	56.7	5%	0.048	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-56.7	118.8	175.8	168.5	0	0	0	0	108.2	H113 F124 L138 E139 F191 R199 L200	H113-V122 PolarHBondContact NE2-O 3.34Å; V122-F124 PolarHBondContact O-N 2.9Å; V122-L138 HydrophobicContact CG1-CB 3.9Å; V122-L138 HydrophobicContact CG1-CD1 4.35Å; V122-E139 HydrophobicContact CG1-CB 4.21Å; V122-F191 HydrophobicContact CG2-CB 4.26Å; V122-F191 HydrophobicContact CG2-CD2 3.84Å; V122-F191 HydrophobicContact CG2-CG 4.32Å; V122-R199 HydrophobicContact CB-CB 4.36Å; V122-R199 HydrophobicContact CG2-CB 3.51Å; V122-L200 WeakPolarHBondContact CG2-O 3.49Å; V122-L200 PolarHBondContact N-O 2.82Å
123	K	97.3	Very high	96	Very high	123 Å²	123	56.9 Å²	56.9	54%	0.535	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-68.6	123.9	-177.9	179.6	166.7	-177.8	172.9	0	111.4	V121 E139	V121-K123 PolarHBondContact O-N 3.09Å; K123-E139 HydrophobicContact CB-CB 4.15Å; K123-E139 PolarHBondContact N-OE2 2.69Å; K123-E139 PolarHBondContact O-N 3.17Å
124	F	97.6	Very high	96	Very high	20 Å²	20	56.9 Å²	56.9	9%	0.088	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	136.8	165	-173.1	-83.4	0	0	0	109.6	I110 H113 K114 V122 H127 I136 L138	I110-F124 HydrophobicContact CG2-CE2 4.26Å; I110-F124 HydrophobicContact CG2-CZ 4.1Å; H113-F124 HydrophobicContact CB-CD2 4.03Å; H113-F124 AromaticContact CG-CD2 3.96Å; K114-F124 HydrophobicContact CD-CE1 4.35Å; K114-F124 HydrophobicContact CD-CZ 4.37Å; K114-F124 HydrophobicContact CG-CD1 3.78Å; K114-F124 HydrophobicContact CG-CE1 3.4Å; K114-F124 HydrophobicContact CG-CE2 4.17Å; K114-F124 HydrophobicContact CG-CG 4.34Å; K114-F124 HydrophobicContact CG-CZ 3.63Å; V122-F124 PolarHBondContact O-N 2.9Å; F124-H127 HydrophobicContact CZ-CB 4.21Å; F124-I136 HydrophobicContact CD2-CG2 4.19Å; F124-I136 HydrophobicContact CE2-CG2 3.55Å; F124-I136 HydrophobicContact CZ-CG2 4.3Å; F124-L138 HydrophobicContact CB-CD2 4.38Å; F124-L138 HydrophobicContact CD2-CD2 3.91Å; F124-L138 HydrophobicContact CG-CD2 4.43Å
125	S	96.3	Very high	96	Very high	47 Å²	47	54.5 Å²	54.5	33%	0.329	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-60.6	176	-173.6	0	0	0	0	112.6	Y87 F137	Y87-S125 WeakPolarHBondContact CE1-OG 3.5Å; S125-F137 WeakPolarHBondContact CA-O 3.3Å; S125-F137 VanDerWaalsContact CB-O 3.3Å; S125-F137 WeakPolarHBondContact CB-O 3.4Å; S125-F137 PolarHBondContact N-O 2.79Å
126	H	95.4	Very high	96	Very high	40 Å²	40	51.3 Å²	51.3	19%	0.185	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	179.7	-178	63.8	-77.5	0	0	0	109.8	Y61 F137	Y61-H126 AromaticContact CZ-NE2 3.61Å; Y61-H126 PolarHBondContact OH-NE2 3.37Å; Y61-H126 VanDerWaalsContact OH-NE2 3.1Å; H126-F137 AromaticContact CD2-CD2 3.96Å; H126-F137 AromaticContact CE1-CD1 3.52Å; H126-F137 AromaticContact CE1-CD2 3.94Å; H126-F137 AromaticContact CE1-CG 3.39Å; H126-F137 WeakPolarHBondContact CE1-CG 3.42Å; H126-F137 PolarHBondContact N-O 3Å; H126-F137 AromaticContact ND1-CG 3.97Å; H126-F137 AromaticContact NE2-CD1 3.77Å; H126-F137 AromaticContact NE2-CD2 3.55Å; H126-F137 AromaticContact NE2-CE2 3.9Å; H126-F137 AromaticContact NE2-CG 3.5Å; H126-F137 WeakPolarHBondContact NE2-CG 3.14Å; H126-F137 PolarHBondContact O-N 2.8Å
127	H	96.6	Very high	96	Very high	67 Å²	67	51.3 Å²	51.3	31%	0.31	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	156.2	173.6	68.4	-28.6	0	0	0	109.3	K114 F124 Y135	K114-H127 PolarHBondContact NZ-CE1 3Å; K114-H127 PolarHBondContact NZ-NE2 3.35Å; F124-H127 HydrophobicContact CZ-CB 4.21Å; H127-Y135 CarbonylContact C-O 3.41Å; H127-Y135 WeakPolarHBondContact CA-O 3.47Å; H127-Y135 VanDerWaalsContact CB-O 3.31Å; H127-Y135 WeakPolarHBondContact CB-O 3.45Å
128	F	96	Very high	96	Very high	10 Å²	10	46.5 Å²	46.5	4%	0.044	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	174	164.2	66.3	-96.4	0	0	0	110.2	V52 D54 Y61 Y135 F137	V52-F128 HydrophobicContact CG1-CE2 3.82Å; V52-F128 HydrophobicContact CG1-CZ 3.71Å; D54-F128 HydrophobicContact CB-CB 4.39Å; D54-F128 HydrophobicContact CB-CD1 3.75Å; D54-F128 HydrophobicContact CB-CD2 4.07Å; D54-F128 HydrophobicContact CB-CE1 3.91Å; D54-F128 HydrophobicContact CB-CE2 4.24Å; D54-F128 HydrophobicContact CB-CG 3.83Å; D54-F128 HydrophobicContact CB-CZ 4.17Å; Y61-F128 AromaticContact CD2-CE1 3.85Å; Y61-F128 HydrophobicContact CD2-CE1 3.85Å; Y61-F128 HydrophobicContact CD2-CZ 4.07Å; Y61-F128 HydrophobicContact CE2-CD1 4.44Å; Y61-F128 AromaticContact CE2-CE1 3.55Å; Y61-F128 HydrophobicContact CE2-CE1 3.55Å; Y61-F128 HydrophobicContact CE2-CZ 4.16Å; F128-Y135 AromaticContact CD2-CD2 3.73Å; F128-Y135 HydrophobicContact CD2-CD2 3.73Å; F128-Y135 HydrophobicContact CD2-CE2 4.32Å; F128-Y135 HydrophobicContact CD2-CG 4.45Å; F128-Y135 AromaticContact CE2-CD2 3.37Å; F128-Y135 HydrophobicContact CE2-CD2 3.37Å; F128-Y135 AromaticContact CE2-CE2 3.73Å; F128-Y135 HydrophobicContact CE2-CE2 3.73Å; F128-Y135 AromaticContact CE2-CG 3.95Å; F128-Y135 HydrophobicContact CE2-CG 3.95Å; F128-Y135 AromaticContact CZ-CD2 3.94Å; F128-Y135 HydrophobicContact CZ-CD2 3.94Å; F128-Y135 HydrophobicContact CZ-CE2 4.43Å; F128-Y135 HydrophobicContact CZ-CG 4.04Å; F128-Y135 PolarHBondContact N-O 3.26Å; F128-Y135 PolarHBondContact O-N 3.49Å; F128-F137 AromaticContact CD1-CE2 3.84Å; F128-F137 HydrophobicContact CD1-CE2 3.84Å; F128-F137 HydrophobicContact CE1-CD2 4.35Å; F128-F137 AromaticContact CE1-CE2 3.3Å; F128-F137 HydrophobicContact CE1-CE2 3.3Å; F128-F137 AromaticContact CE1-CZ 3.63Å; F128-F137 HydrophobicContact CE1-CZ 3.63Å; F128-F137 HydrophobicContact CZ-CE2 4.09Å; F128-F137 HydrophobicContact CZ-CZ 4.26Å
129	E	94.7	Very high	96	Very high	62 Å²	62	46.2 Å²	46.2	29%	0.29	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.9	178	-58.4	-169.5	-139	0	0	109.5	Q94 R103 N133 I134	Q94-E129 PolarHBondContact NE2-OE2 2.93Å; R103-E129 IonicContact CZ-OE2 2.82Å; R103-E129 IonicContact NH1-OE2 3.61Å; R103-E129 IonicContact NH2-OE1 3.56Å; R103-E129 PolarHBondContact NH2-OE1 2.95Å; R103-E129 IonicContact NH2-OE2 3.52Å; R103-E129 PolarHBondContact NH2-OE2 2.83Å; E129-N133 WeakPolarHBondContact CA-O 3.47Å; E129-I134 HydrophobicContact CG-CB 4.25Å; E129-I134 HydrophobicContact CG-CG1 3.9Å; E129-I134 HydrophobicContact CG-CG2 4.09Å
130	D	92.6	Very high	95.9	Very high	49 Å²	49	42.4 Å²	42.4	26%	0.262	21%	0.209	S	C	.	.			trans	-111.5	-170.5	162.6	70.3	27.6	0	0	0	110.4	Q94 D132 N133 Y135	Q94-D130 PolarHBondContact NE2-O 2.86Å; Q94-D130 VanDerWaalsContact NE2-O 3.17Å; D130-D132 PolarHBondContact O-N 2.76Å; D130-D132 WeakPolarHBondContact OD1-CA 3.49Å; D130-D132 PolarHBondContact OD1-N 2.98Å; D130-N133 PolarHBondContact N-O 2.85Å; D130-N133 PolarHBondContact OD1-N 2.59Å; D130-Y135 HydrophobicContact CB-CE2 4.31Å; D130-Y135 WeakPolarHBondContact OD2-CE2 3.35Å; D130-Y135 VanDerWaalsContact OD2-CZ 3.26Å; D130-Y135 PolarHBondContact OD2-OH 2.84Å
131	Q	91.3	Very high	95.8	Very high	187 Å²	187	42 Å²	42	87%	0.874	21%	0.208	S	C	*	.	S	Bend	trans	-64.2	-28	-178.6	-63.3	-180	-2.4	0	0	113
132	D	92.4	Very high	95.6	Very high	115 Å²	115	45.2 Å²	45.2	62%	0.615	23%	0.23	S	C	*	.	S	Bend	trans	-106.4	-30.3	-173.4	-74.3	-50.4	0	0	0	113.2	P93 Q94 D130	P93-D132 CarbonylContact C-O 3.56Å; P93-D132 VanDerWaalsContact CA-O 3.27Å; P93-D132 WeakPolarHBondContact CA-O 3.49Å; Q94-D132 PolarHBondContact N-O 2.91Å; D130-D132 PolarHBondContact O-N 2.76Å; D130-D132 WeakPolarHBondContact OD1-CA 3.49Å; D130-D132 PolarHBondContact OD1-N 2.98Å
133	N	95.2	Very high	95.3	Very high	31 Å²	31	48.1 Å²	48.1	17%	0.166	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.5	-167.2	-56.9	-86.9	0	0	0	114.9	V91 I92 E129 D130 Y135	V91-N133 HydrophobicContact CG1-CB 3.86Å; I92-N133 CarbonylContact O-C 3.58Å; I92-N133 WeakPolarHBondContact O-CA 3.43Å; E129-N133 WeakPolarHBondContact CA-O 3.47Å; D130-N133 PolarHBondContact N-O 2.85Å; D130-N133 PolarHBondContact OD1-N 2.59Å; N133-Y135 HydrophobicContact CB-CD2 4.37Å; N133-Y135 HydrophobicContact CB-CE1 4.28Å; N133-Y135 HydrophobicContact CB-CE2 3.69Å
134	I	94.8	Very high	95.2	Very high	3 Å²	3	48 Å²	48	2%	0.015	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.1	162.9	-52.3	-173.6	0	0	0	108.4	V91 I92 V97 I106 I110 E129 I136	V91-I134 WeakPolarHBondContact CA-O 3.12Å; I92-I134 HydrophobicContact CB-CB 4.35Å; I92-I134 PolarHBondContact N-O 3.3Å; I92-I134 PolarHBondContact O-N 3.14Å; V97-I134 HydrophobicContact CG2-CD1 4.01Å; I106-I134 HydrophobicContact CG2-CD1 4.43Å; I106-I134 HydrophobicContact CG2-CG2 4.48Å; I110-I134 HydrophobicContact CD1-CG2 4.41Å; E129-I134 HydrophobicContact CG-CB 4.25Å; E129-I134 HydrophobicContact CG-CG1 3.9Å; E129-I134 HydrophobicContact CG-CG2 4.09Å; I134-I136 HydrophobicContact CG2-CG1 4.42Å
135	Y	96.1	Very high	95.1	Very high	10 Å²	10	47.3 Å²	47.3	4%	0.039	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.8	179.8	-55.1	-96.9	0	0	0	110.7	V52 M78 V89 K90 V91 H127 F128 D130 N133	V52-Y135 HydrophobicContact CB-CE1 4.49Å; V52-Y135 HydrophobicContact CG1-CD1 4.38Å; V52-Y135 HydrophobicContact CG1-CE1 3.75Å; V52-Y135 HydrophobicContact CG1-CE2 3.94Å; V52-Y135 VanDerWaalsContact CG1-CZ 3.48Å; V52-Y135 HydrophobicContact CG2-CE1 4.12Å; M78-Y135 HydrophobicContact CE-CD1 3.79Å; M78-Y135 HydrophobicContact CE-CE1 3.88Å; V89-Y135 HydrophobicContact CG1-CD1 4.3Å; K90-Y135 WeakPolarHBondContact O-CA 3.4Å; V91-Y135 HydrophobicContact CB-CD1 4.45Å; V91-Y135 HydrophobicContact CG1-CD1 4.09Å; V91-Y135 HydrophobicContact CG1-CE1 3.79Å; V91-Y135 HydrophobicContact CG2-CD1 3.8Å; V91-Y135 HydrophobicContact CG2-CE1 4.04Å; H127-Y135 CarbonylContact C-O 3.41Å; H127-Y135 WeakPolarHBondContact CA-O 3.47Å; H127-Y135 VanDerWaalsContact CB-O 3.31Å; H127-Y135 WeakPolarHBondContact CB-O 3.45Å; F128-Y135 AromaticContact CD2-CD2 3.73Å; F128-Y135 HydrophobicContact CD2-CD2 3.73Å; F128-Y135 HydrophobicContact CD2-CE2 4.32Å; F128-Y135 HydrophobicContact CD2-CG 4.45Å; F128-Y135 AromaticContact CE2-CD2 3.37Å; F128-Y135 HydrophobicContact CE2-CD2 3.37Å; F128-Y135 AromaticContact CE2-CE2 3.73Å; F128-Y135 HydrophobicContact CE2-CE2 3.73Å; F128-Y135 AromaticContact CE2-CG 3.95Å; F128-Y135 HydrophobicContact CE2-CG 3.95Å; F128-Y135 AromaticContact CZ-CD2 3.94Å; F128-Y135 HydrophobicContact CZ-CD2 3.94Å; F128-Y135 HydrophobicContact CZ-CE2 4.43Å; F128-Y135 HydrophobicContact CZ-CG 4.04Å; F128-Y135 PolarHBondContact N-O 3.26Å; F128-Y135 PolarHBondContact O-N 3.49Å; D130-Y135 HydrophobicContact CB-CE2 4.31Å; D130-Y135 WeakPolarHBondContact OD2-CE2 3.35Å; D130-Y135 VanDerWaalsContact OD2-CZ 3.26Å; D130-Y135 PolarHBondContact OD2-OH 2.84Å; N133-Y135 HydrophobicContact CB-CD2 4.37Å; N133-Y135 HydrophobicContact CB-CE1 4.28Å; N133-Y135 HydrophobicContact CB-CE2 3.69Å
136	I	95.9	Very high	95.1	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.5	178.2	-47.7	169.4	0	0	0	108.9	V89 K90 I92 I106 I110 F124 I134 L138	V89-I136 VanDerWaalsContact CA-O 3.3Å; V89-I136 WeakPolarHBondContact CA-O 3.49Å; K90-I136 HydrophobicContact CB-CB 4.23Å; K90-I136 HydrophobicContact CD-CD1 4.5Å; K90-I136 PolarHBondContact N-O 3.17Å; K90-I136 PolarHBondContact O-N 2.82Å; I92-I136 HydrophobicContact CD1-CD1 4.02Å; I106-I136 HydrophobicContact CG2-CD1 4.27Å; I110-I136 HydrophobicContact CD1-CD1 3.77Å; I110-I136 HydrophobicContact CD1-CG1 3.9Å; I110-I136 HydrophobicContact CG1-CD1 3.65Å; I110-I136 HydrophobicContact CG1-CG1 4.02Å; F124-I136 HydrophobicContact CD2-CG2 4.19Å; F124-I136 HydrophobicContact CE2-CG2 3.55Å; F124-I136 HydrophobicContact CZ-CG2 4.3Å; I134-I136 HydrophobicContact CG2-CG1 4.42Å; I136-L138 HydrophobicContact CG2-CD2 4.16Å
137	F	96.8	Very high	95.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.2	-173.6	-74.6	-111	0	0	0	111.4	Y61 M78 Y87 V89 S125 H126 F128	Y61-F137 HydrophobicContact CD1-CD1 4.49Å; Y61-F137 AromaticContact CD1-CE1 3.5Å; Y61-F137 HydrophobicContact CD1-CE1 3.5Å; Y61-F137 AromaticContact CD1-CZ 3.95Å; Y61-F137 HydrophobicContact CD1-CZ 3.95Å; Y61-F137 HydrophobicContact CD2-CE1 4.32Å; Y61-F137 AromaticContact CD2-CZ 3.91Å; Y61-F137 HydrophobicContact CD2-CZ 3.91Å; Y61-F137 HydrophobicContact CE1-CD1 4.42Å; Y61-F137 AromaticContact CE1-CE1 3.74Å; Y61-F137 HydrophobicContact CE1-CE1 3.74Å; Y61-F137 HydrophobicContact CE1-CZ 4.19Å; Y61-F137 HydrophobicContact CE2-CZ 4.13Å; Y61-F137 AromaticContact CG-CE1 3.84Å; Y61-F137 HydrophobicContact CG-CE1 3.84Å; Y61-F137 AromaticContact CG-CZ 3.82Å; Y61-F137 HydrophobicContact CG-CZ 3.82Å; M78-F137 HydrophobicContact SD-CE1 4.43Å; M78-F137 HydrophobicContact SD-CZ 4.07Å; Y87-F137 HydrophobicContact CD1-CB 4.3Å; Y87-F137 HydrophobicContact CD1-CD1 4.36Å; Y87-F137 HydrophobicContact CD2-CD1 4.05Å; Y87-F137 AromaticContact CG-CD1 3.85Å; Y87-F137 HydrophobicContact CG-CD1 3.85Å; V89-F137 HydrophobicContact CG1-CD2 4Å; V89-F137 HydrophobicContact CG1-CE1 4.42Å; V89-F137 HydrophobicContact CG1-CE2 3.84Å; V89-F137 HydrophobicContact CG1-CG 4.34Å; V89-F137 HydrophobicContact CG1-CZ 4.06Å; V89-F137 HydrophobicContact CG2-CD1 3.43Å; V89-F137 VanDerWaalsContact CG2-CD1 3.43Å; V89-F137 HydrophobicContact CG2-CD2 4.31Å; V89-F137 HydrophobicContact CG2-CE1 3.5Å; V89-F137 VanDerWaalsContact CG2-CE1 3.5Å; V89-F137 HydrophobicContact CG2-CE2 4.35Å; V89-F137 HydrophobicContact CG2-CG 3.86Å; V89-F137 HydrophobicContact CG2-CZ 3.97Å; S125-F137 WeakPolarHBondContact CA-O 3.3Å; S125-F137 VanDerWaalsContact CB-O 3.3Å; S125-F137 WeakPolarHBondContact CB-O 3.4Å; S125-F137 PolarHBondContact N-O 2.79Å; H126-F137 AromaticContact CD2-CD2 3.96Å; H126-F137 AromaticContact CE1-CD1 3.52Å; H126-F137 AromaticContact CE1-CD2 3.94Å; H126-F137 AromaticContact CE1-CG 3.39Å; H126-F137 WeakPolarHBondContact CE1-CG 3.42Å; H126-F137 PolarHBondContact N-O 3Å; H126-F137 AromaticContact ND1-CG 3.97Å; H126-F137 AromaticContact NE2-CD1 3.77Å; H126-F137 AromaticContact NE2-CD2 3.55Å; H126-F137 AromaticContact NE2-CE2 3.9Å; H126-F137 AromaticContact NE2-CG 3.5Å; H126-F137 WeakPolarHBondContact NE2-CG 3.14Å; H126-F137 PolarHBondContact O-N 2.8Å; F128-F137 AromaticContact CD1-CE2 3.84Å; F128-F137 HydrophobicContact CD1-CE2 3.84Å; F128-F137 HydrophobicContact CE1-CD2 4.35Å; F128-F137 AromaticContact CE1-CE2 3.3Å; F128-F137 HydrophobicContact CE1-CE2 3.3Å; F128-F137 AromaticContact CE1-CZ 3.63Å; F128-F137 HydrophobicContact CE1-CZ 3.63Å; F128-F137 HydrophobicContact CZ-CE2 4.09Å; F128-F137 HydrophobicContact CZ-CZ 4.26Å
138	L	97.1	Very high	95	Very high	16 Å²	16	45.6 Å²	45.6	8%	0.084	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	162.9	-175.4	-55.1	-179.9	0	0	0	111.6	Y87 A88 H113 V122 F124 I136 L140	Y87-L138 WeakPolarHBondContact CA-O 3.3Å; A88-L138 PolarHBondContact N-O 2.86Å; A88-L138 WeakPolarHBondContact O-CA 3.29Å; A88-L138 WeakPolarHBondContact O-CB 3.12Å; A88-L138 PolarHBondContact O-N 2.93Å; H113-L138 VanDerWaalsContact CE1-CD2 3.47Å; H113-L138 WeakPolarHBondContact CE1-CD2 3.34Å; V122-L138 HydrophobicContact CG1-CB 3.9Å; V122-L138 HydrophobicContact CG1-CD1 4.35Å; F124-L138 HydrophobicContact CB-CD2 4.38Å; F124-L138 HydrophobicContact CD2-CD2 3.91Å; F124-L138 HydrophobicContact CG-CD2 4.43Å; I136-L138 HydrophobicContact CG2-CD2 4.16Å; L138-L140 PolarHBondContact O-N 3.32Å
139	E	96.4	Very high	94.8	Very high	49 Å²	49	45.2 Å²	45.2	23%	0.229	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	122.8	170.7	-178.8	179.7	-167.1	0	0	112.2	V122 K123 C141 R199	V122-E139 HydrophobicContact CG1-CB 4.21Å; K123-E139 HydrophobicContact CB-CB 4.15Å; K123-E139 PolarHBondContact N-OE2 2.69Å; K123-E139 PolarHBondContact O-N 3.17Å; E139-C141 PolarHBondContact O-N 2.78Å; E139-R199 VanDerWaalsContact CD-NE 3.34Å; E139-R199 IonicContact OE1-CZ 2.62Å; E139-R199 VanDerWaalsContact OE1-CZ 3.23Å; E139-R199 IonicContact OE1-NE 2.65Å; E139-R199 PolarHBondContact OE1-NE 3.3Å; E139-R199 IonicContact OE1-NH2 3.46Å; E139-R199 PolarHBondContact OE1-NH2 2.92Å; E139-R199 IonicContact OE2-NE 2.67Å; E139-R199 PolarHBondContact OE2-NE 2.91Å; E139-R199 VanDerWaalsContact OE2-NE 3.09Å
140	L	96.3	Very high	94.7	Very high	31 Å²	31	45.7 Å²	45.7	16%	0.162	23%	0.227	C	C	.	.			trans	-77.1	108.7	176.9	-177.4	59.1	0	0	0	111.1	L67 E77 M86 A88 L138 S142	L67-L140 HydrophobicContact CD1-CD1 3.88Å; E77-L140 HydrophobicContact CG-CD1 4.05Å; E77-L140 HydrophobicContact CG-CD2 4.14Å; M86-L140 HydrophobicContact CB-CD2 3.64Å; M86-L140 HydrophobicContact CE-CD2 4.49Å; M86-L140 HydrophobicContact SD-CD2 4.38Å; A88-L140 HydrophobicContact CB-CD1 4.02Å; L138-L140 PolarHBondContact O-N 3.32Å; L140-S142 PolarHBondContact O-N 2.95Å
141	C	96.5	Very high	94.4	Very high	10 Å²	10	51.7 Å²	51.7	7%	0.068	25%	0.251	C	S	.	.			trans	-87.1	93.8	172.8	-69.1	0	0	0	0	110.3	E139 R143 K144 F191 V192	E139-C141 PolarHBondContact O-N 2.78Å; C141-R143 PolarHBondContact O-N 3.03Å; C141-K144 PolarHBondContact O-N 3.26Å; C141-F191 HydrophobicContact CB-CB 3.6Å; C141-F191 VanDerWaalsContact SG-CB 3.59Å; C141-V192 CarbonylContact C-O 3.55Å; C141-V192 WeakPolarHBondContact CB-O 3.46Å
142	S	93.4	Very high	93.7	Very high	69 Å²	69	45.5 Å²	45.5	48%	0.483	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.6	-170.7	55	0	0	0	0	115.2	L140 K144 E194	L140-S142 PolarHBondContact O-N 2.95Å; S142-K144 VanDerWaalsContact C-N 3.28Å; S142-K144 PolarHBondContact O-N 3.07Å; S142-E194 WeakPolarHBondContact OG-CA 3.5Å; S142-E194 WeakPolarHBondContact OG-CB 3.46Å; S142-E194 PolarHBondContact OG-N 3.13Å
143	R	92.9	Very high	93.5	Very high	70 Å²	70	41.4 Å²	41.4	26%	0.264	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	18.9	175	-55	-172.4	-175.9	-74	-9.4	113.1	C141 S145 V192 N193 E194 M196	C141-R143 PolarHBondContact O-N 3.03Å; R143-S145 PolarHBondContact O-N 3.21Å; R143-V192 WeakPolarHBondContact CA-O 3.34Å; R143-V192 HydrophobicContact CB-CB 3.96Å; R143-V192 HydrophobicContact CB-CG1 3.94Å; R143-V192 WeakPolarHBondContact CB-O 3.48Å; R143-V192 PolarHBondContact N-O 2.87Å; R143-N193 WeakPolarHBondContact CD-O 3.28Å; R143-N193 WeakPolarHBondContact CG-O 3.29Å; R143-N193 PolarHBondContact NE-O 2.63Å; R143-E194 VanDerWaalsContact CZ-O 3.29Å; R143-E194 PolarHBondContact NE-O 3.27Å; R143-E194 PolarHBondContact NH2-O 3.43Å; R143-M196 WeakPolarHBondContact CD-SD 3.31Å
144	K	94	Very high	93.1	Very high	121 Å²	121	42.9 Å²	42.9	53%	0.526	21%	0.213	S	C	.	.			trans	62.6	-120.9	177.1	-49.1	176.8	-171.9	171.3	0	111.2	C141 S142 H148 F191 V192	C141-K144 PolarHBondContact O-N 3.26Å; S142-K144 VanDerWaalsContact C-N 3.28Å; S142-K144 PolarHBondContact O-N 3.07Å; K144-H148 HydrophobicContact CB-CB 4.09Å; K144-H148 HydrophobicContact CD-CB 4.23Å; K144-H148 VanDerWaalsContact CD-CD2 3.48Å; K144-H148 WeakPolarHBondContact CD-CD2 3.46Å; K144-F191 CarbonylContact O-C 3.59Å; K144-F191 VanDerWaalsContact O-CA 3.25Å; K144-F191 WeakPolarHBondContact O-CA 3.21Å; K144-V192 PolarHBondContact O-N 3.48Å
145	S	96.4	Very high	92.9	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.028	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-143.5	165.1	-177	58.8	0	0	0	0	112.7	R143 A147 H148 I149 G188 F190	R143-S145 PolarHBondContact O-N 3.21Å; S145-A147 PolarHBondContact O-N 3.29Å; S145-A147 VanDerWaalsContact O-N 3.11Å; S145-H148 WeakPolarHBondContact O-CA 3.23Å; S145-H148 VanDerWaalsContact O-CB 3.32Å; S145-H148 WeakPolarHBondContact O-CB 3.27Å; S145-H148 PolarHBondContact O-N 2.96Å; S145-H148 PolarHBondContact OG-ND1 2.84Å; S145-I149 PolarHBondContact O-N 3.46Å; S145-G188 VanDerWaalsContact CB-O 3.31Å; S145-G188 WeakPolarHBondContact CB-O 3.38Å; S145-G188 PolarHBondContact OG-O 3.37Å; S145-F190 CarbonylContact C-O 3.47Å; S145-F190 WeakPolarHBondContact CA-O 3.25Å; S145-F190 WeakPolarHBondContact CB-O 3.28Å
146	L	97.1	Very high	92.9	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-56.6	-28.3	-179.4	-70.2	-169.9	0	0	0	113.2	H148 I149 W150 Y164 I168 L187 F190 V192 L198 L252	L146-H148 PolarHBondContact O-N 2.92Å; L146-I149 HydrophobicContact CD2-CD1 4.18Å; L146-I149 PolarHBondContact O-N 3.18Å; L146-W150 WeakPolarHBondContact O-CB 3.43Å; L146-W150 PolarHBondContact O-N 3.47Å; L146-Y164 HydrophobicContact CD1-CG 4.24Å; L146-Y164 HydrophobicContact CD2-CD1 3.9Å; L146-Y164 HydrophobicContact CD2-CD2 4.04Å; L146-Y164 HydrophobicContact CD2-CE1 3.83Å; L146-Y164 HydrophobicContact CD2-CE2 3.97Å; L146-Y164 HydrophobicContact CD2-CG 4Å; L146-I168 HydrophobicContact CD1-CD1 4.21Å; L146-L187 CarbonylContact C-O 3.51Å; L146-L187 HydrophobicContact CB-CB 4.39Å; L146-L187 HydrophobicContact CB-CD2 4.3Å; L146-L187 PolarHBondContact N-O 2.93Å; L146-F190 HydrophobicContact CB-CB 4.21Å; L146-F190 HydrophobicContact CD1-CB 3.9Å; L146-F190 HydrophobicContact CD1-CD2 3.94Å; L146-F190 HydrophobicContact CD1-CG 4.31Å; L146-F190 HydrophobicContact CG-CB 3.85Å; L146-F190 PolarHBondContact N-O 3.32Å; L146-V192 HydrophobicContact CD2-CG2 3.89Å; L146-V192 HydrophobicContact CG-CG2 4.44Å; L146-L198 HydrophobicContact CD1-CD1 3.69Å; L146-L198 HydrophobicContact CG-CD1 4.14Å; L146-L252 HydrophobicContact CD1-CD1 4.23Å
147	A	95.3	Very high	92.8	Very high	28 Å²	28	47.7 Å²	47.7	23%	0.231	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-29.9	172.6	0	0	0	0	0	113.1	S145 K151 L187	S145-A147 PolarHBondContact O-N 3.29Å; S145-A147 VanDerWaalsContact O-N 3.11Å; A147-K151 VanDerWaalsContact O-CB 3.22Å; A147-K151 WeakPolarHBondContact O-CB 3.49Å; A147-K151 PolarHBondContact O-N 3.31Å; A147-L187 HydrophobicContact CB-CB 3.85Å; A147-L187 PolarHBondContact N-O 2.84Å
148	H	93.4	Very high	92.7	Very high	89 Å²	89	49.8 Å²	49.8	41%	0.412	26%	0.255	S	S	.	.	H	α-helix	trans	-77	-38	175.6	-65.6	86.6	0	0	0	111.8	K144 S145 L146 A152	K144-H148 HydrophobicContact CB-CB 4.09Å; K144-H148 HydrophobicContact CD-CB 4.23Å; K144-H148 VanDerWaalsContact CD-CD2 3.48Å; K144-H148 WeakPolarHBondContact CD-CD2 3.46Å; S145-H148 WeakPolarHBondContact O-CA 3.23Å; S145-H148 VanDerWaalsContact O-CB 3.32Å; S145-H148 WeakPolarHBondContact O-CB 3.27Å; S145-H148 PolarHBondContact O-N 2.96Å; S145-H148 PolarHBondContact OG-ND1 2.84Å; L146-H148 PolarHBondContact O-N 2.92Å; H148-A152 PolarHBondContact O-N 3.48Å
149	I	92.6	Very high	92.6	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.015	26%	0.257	C	S	.	.	H	α-helix	trans	-67.8	-49.5	175.5	-61.6	-177.2	0	0	0	109.7	S145 L146 K151 A152 R153 L156 V192 C327	S145-I149 PolarHBondContact O-N 3.46Å; L146-I149 HydrophobicContact CD2-CD1 4.18Å; L146-I149 PolarHBondContact O-N 3.18Å; I149-K151 VanDerWaalsContact C-N 3.32Å; I149-K151 PolarHBondContact O-N 2.85Å; I149-A152 PolarHBondContact O-N 2.85Å; I149-R153 HydrophobicContact CG2-CG 4.25Å; I149-R153 VanDerWaalsContact O-CB 3.31Å; I149-R153 WeakPolarHBondContact O-CB 3.5Å; I149-R153 PolarHBondContact O-N 2.92Å; I149-L156 HydrophobicContact CG2-CD2 4.08Å; I149-V192 HydrophobicContact CD1-CG2 4.15Å; I149-C327 HydrophobicContact CD1-CB 4.36Å; I149-C327 HydrophobicContact CG1-CB 4.2Å
150	W	93.2	Very high	92.7	Very high	71 Å²	71	47.8 Å²	47.8	27%	0.269	25%	0.246	S	C	.	.	H	α-helix	trans	-54.4	-45	172.7	169.3	80.7	0	0	0	111.9	L146 A152 R153 H154 L187 G255	L146-W150 WeakPolarHBondContact O-CB 3.43Å; L146-W150 PolarHBondContact O-N 3.47Å; W150-A152 PolarHBondContact O-N 2.9Å; W150-R153 PolarHBondContact O-N 2.76Å; W150-H154 PolarHBondContact NE1-O 2.79Å; W150-H154 VanDerWaalsContact O-CA 3.23Å; W150-H154 WeakPolarHBondContact O-CA 3.48Å; W150-H154 PolarHBondContact O-N 3.18Å; W150-L187 HydrophobicContact CB-CD1 3.91Å; W150-L187 HydrophobicContact CD2-CD1 4.05Å; W150-L187 HydrophobicContact CG-CD1 3.7Å; W150-G255 VanDerWaalsContact CE2-O 3.26Å; W150-G255 VanDerWaalsContact CZ2-O 3.22Å; W150-G255 WeakPolarHBondContact CZ2-O 3.43Å; W150-G255 PolarHBondContact NE1-O 2.88Å
151	K	84.8	Confident	92.8	Very high	176 Å²	176	46.3 Å²	46.3	77%	0.765	24%	0.239	S	C	*	.	H	α-helix	trans	-63.2	-27.3	176	-179.2	168.4	-179.5	175.4	0	113.7	A147 I149	A147-K151 VanDerWaalsContact O-CB 3.22Å; A147-K151 WeakPolarHBondContact O-CB 3.49Å; A147-K151 PolarHBondContact O-N 3.31Å; I149-K151 VanDerWaalsContact C-N 3.32Å; I149-K151 PolarHBondContact O-N 2.85Å
152	A	78.1	Confident	92.8	Very high	56 Å²	56	46.2 Å²	46.2	46%	0.463	24%	0.237	S	C	.	.	H	α-helix	trans	-88	-24.6	177.5	0	0	0	0	0	113.6	H148 I149 W150 V328	H148-A152 PolarHBondContact O-N 3.48Å; I149-A152 PolarHBondContact O-N 2.85Å; W150-A152 PolarHBondContact O-N 2.9Å; A152-V328 HydrophobicContact CB-CG1 4.27Å
153	R	87	Confident	93	Very high	29 Å²	29	43.8 Å²	43.8	11%	0.109	22%	0.218	C	C	.	.	H	α-helix	trans	-110.3	-19.3	-171	-75.3	-75.3	-56.4	-75.8	-14.3	115	I149 W150 T155 L156 E160 S326 V328 T329	I149-R153 HydrophobicContact CG2-CG 4.25Å; I149-R153 VanDerWaalsContact O-CB 3.31Å; I149-R153 WeakPolarHBondContact O-CB 3.5Å; I149-R153 PolarHBondContact O-N 2.92Å; W150-R153 PolarHBondContact O-N 2.76Å; R153-T155 PolarHBondContact NH2-O 2.99Å; R153-T155 PolarHBondContact O-N 3.14Å; R153-L156 HydrophobicContact CB-CD2 4.2Å; R153-L156 HydrophobicContact CG-CD2 4.26Å; R153-E160 IonicContact CZ-OE1 2.74Å; R153-E160 IonicContact CZ-OE2 3.75Å; R153-E160 IonicContact NH1-OE1 3.35Å; R153-E160 PolarHBondContact NH1-OE1 3.25Å; R153-E160 IonicContact NH1-OE2 3.07Å; R153-E160 IonicContact NH2-OE1 3.62Å; R153-E160 IonicContact NH2-OE2 3.76Å; R153-E160 PolarHBondContact NH2-OE2 2.87Å; R153-S326 PolarHBondContact NH1-O 2.82Å; R153-V328 VanDerWaalsContact CD-C 3.49Å; R153-V328 VanDerWaalsContact CD-O 3.3Å; R153-V328 WeakPolarHBondContact CD-O 3.3Å; R153-T329 PolarHBondContact NH1-O 3.01Å
154	H	86.9	Confident	93.3	Very high	62 Å²	62	40.5 Å²	40.5	29%	0.287	21%	0.205	S	C	.	.	S	Bend	trans	53.1	-54.5	-158.9	-158.7	37.1	0	0	0	114.9	W150 G255 N256 E507	W150-H154 PolarHBondContact NE1-O 2.79Å; W150-H154 VanDerWaalsContact O-CA 3.23Å; W150-H154 WeakPolarHBondContact O-CA 3.48Å; W150-H154 PolarHBondContact O-N 3.18Å; H154-G255 VanDerWaalsContact CE1-C 3.43Å; H154-G255 PolarHBondContact CE1-O 3.4Å; H154-G255 PolarHBondContact ND1-O 3.02Å; H154-G255 WeakPolarHBondContact O-CA 3.49Å; H154-N256 PolarHBondContact NE2-ND2 3.35Å; H154-E507 IonicContact CD2-OE1 2.65Å
155	T	91.5	Very high	93.5	Very high	62 Å²	62	34.9 Å²	34.9	38%	0.38	18%	0.181	S	C	.	.	S	Bend	trans	-123.4	152.8	178.9	60.7	0	0	0	0	112.9	R153	R153-T155 PolarHBondContact NH2-O 2.99Å; R153-T155 PolarHBondContact O-N 3.14Å
156	L	94.6	Very high	93.6	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.042	20%	0.201	C	C	.	.			trans	-114.2	145.3	173	-65.7	-171	0	0	0	110.9	I149 R153 E160 V161 Y164 L252	I149-L156 HydrophobicContact CG2-CD2 4.08Å; R153-L156 HydrophobicContact CB-CD2 4.2Å; R153-L156 HydrophobicContact CG-CD2 4.26Å; L156-E160 HydrophobicContact CB-CB 4.15Å; L156-E160 HydrophobicContact CD1-CB 4.5Å; L156-V161 HydrophobicContact CB-CG2 3.69Å; L156-Y164 HydrophobicContact CD1-CD2 3.84Å; L156-Y164 HydrophobicContact CD1-CE2 3.78Å; L156-L252 HydrophobicContact CD1-CD2 3.88Å; L156-L252 HydrophobicContact CG-CD2 4.38Å; L156-L252 PolarHBondContact N-O 3.49Å
157	T	94.3	Very high	93.7	Very high	46 Å²	46	41.1 Å²	41.1	28%	0.282	20%	0.204	S	C	.	.			trans	-71.5	152.3	179.9	60	0	0	0	0	111.8	P159 E160 V161 V330	T157-P159 VanDerWaalsContact C-N 3.29Å; T157-P159 VanDerWaalsContact O-N 3.1Å; T157-E160 WeakPolarHBondContact CB-OE2 3.39Å; T157-E160 PolarHBondContact N-OE2 3.44Å; T157-E160 WeakPolarHBondContact O-CA 3.25Å; T157-E160 WeakPolarHBondContact O-CB 3.32Å; T157-E160 PolarHBondContact O-N 3.38Å; T157-E160 VanDerWaalsContact OG1-CG 3.28Å; T157-E160 WeakPolarHBondContact OG1-CG 3.46Å; T157-E160 PolarHBondContact OG1-OE2 3.4Å; T157-V161 PolarHBondContact O-N 2.85Å; T157-V330 HydrophobicContact CG2-CG1 3.87Å
158	D	94.9	Very high	93.9	Very high	45 Å²	45	39.8 Å²	39.8	24%	0.241	19%	0.193	C	C	.	.	H	α-helix	trans	-37.5	-48.5	174.2	-114	65.8	0	0	0	114.4	R162 M253 F312	D158-R162 WeakPolarHBondContact O-CG 3.38Å; D158-R162 PolarHBondContact O-N 2.98Å; D158-R162 IonicContact OD2-CZ 3.65Å; D158-R162 IonicContact OD2-NH1 2.92Å; D158-R162 PolarHBondContact OD2-NH1 3.08Å; D158-R162 IonicContact OD2-NH2 2.69Å; D158-M253 WeakPolarHBondContact OD1-CE 3.38Å; D158-F312 VanDerWaalsContact OD2-CE2 3.25Å; D158-F312 WeakPolarHBondContact OD2-CE2 3.5Å
159	P	95.7	Very high	94.1	Very high	22 Å²	22	35.6 Å²	35.6	14%	0.143	17%	0.174	C	C	.	.	H	α-helix	trans	-73.2	-32.4	178.7	-14.2	29.8	0	0	0	114.4	T157 Y163 F317 P319 L333	T157-P159 VanDerWaalsContact C-N 3.29Å; T157-P159 VanDerWaalsContact O-N 3.1Å; P159-Y163 WeakPolarHBondContact O-CB 3.16Å; P159-Y163 PolarHBondContact O-N 3.48Å; P159-F317 HydrophobicContact CB-CD1 4.31Å; P159-P319 WeakPolarHBondContact O-CD 3.33Å; P159-L333 HydrophobicContact CB-CD1 3.64Å; P159-L333 HydrophobicContact CG-CD1 4Å
160	E	97	Very high	94.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.5	-43.8	173.5	-68.5	174.1	109	0	0	110.6	R153 L156 T157 R162 Y163 Y164 L322 P331 L333	R153-E160 IonicContact CZ-OE1 2.74Å; R153-E160 IonicContact CZ-OE2 3.75Å; R153-E160 IonicContact NH1-OE1 3.35Å; R153-E160 PolarHBondContact NH1-OE1 3.25Å; R153-E160 IonicContact NH1-OE2 3.07Å; R153-E160 IonicContact NH2-OE1 3.62Å; R153-E160 IonicContact NH2-OE2 3.76Å; R153-E160 PolarHBondContact NH2-OE2 2.87Å; L156-E160 HydrophobicContact CB-CB 4.15Å; L156-E160 HydrophobicContact CD1-CB 4.5Å; T157-E160 WeakPolarHBondContact CB-OE2 3.39Å; T157-E160 PolarHBondContact N-OE2 3.44Å; T157-E160 WeakPolarHBondContact O-CA 3.25Å; T157-E160 WeakPolarHBondContact O-CB 3.32Å; T157-E160 PolarHBondContact O-N 3.38Å; T157-E160 VanDerWaalsContact OG1-CG 3.28Å; T157-E160 WeakPolarHBondContact OG1-CG 3.46Å; T157-E160 PolarHBondContact OG1-OE2 3.4Å; E160-R162 PolarHBondContact O-N 3.07Å; E160-Y163 WeakPolarHBondContact O-CB 3.48Å; E160-Y163 PolarHBondContact O-N 3.39Å; E160-Y163 VanDerWaalsContact O-N 3.15Å; E160-Y164 WeakPolarHBondContact O-CD2 3.42Å; E160-Y164 PolarHBondContact O-N 2.85Å; E160-L322 HydrophobicContact CB-CD1 4.23Å; E160-L322 HydrophobicContact CG-CD1 3.99Å; E160-L322 HydrophobicContact CG-CD2 3.88Å; E160-P331 VanDerWaalsContact CD-CD 3.48Å; E160-P331 HydrophobicContact CG-CG 3.87Å; E160-P331 VanDerWaalsContact OE1-CD 3.24Å; E160-P331 WeakPolarHBondContact OE1-CD 3.31Å; E160-P331 WeakPolarHBondContact OE1-CG 3.36Å; E160-L333 HydrophobicContact CG-CD1 4.49Å
161	V	98.1	Very high	94.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-42.8	176.4	175.2	0	0	0	0	110.5	L156 T157 Y163 Y164 L165 M249 L252 M253 F312	L156-V161 HydrophobicContact CB-CG2 3.69Å; T157-V161 PolarHBondContact O-N 2.85Å; V161-Y163 PolarHBondContact O-N 2.73Å; V161-Y164 PolarHBondContact O-N 3.08Å; V161-L165 HydrophobicContact CG1-CD1 3.55Å; V161-L165 HydrophobicContact CG1-CG 4.07Å; V161-L165 VanDerWaalsContact O-CB 3.28Å; V161-L165 WeakPolarHBondContact O-CB 3.36Å; V161-L165 VanDerWaalsContact O-CG 3.23Å; V161-L165 WeakPolarHBondContact O-CG 3.13Å; V161-L165 PolarHBondContact O-N 3.16Å; V161-M249 HydrophobicContact CG1-CG 4.32Å; V161-L252 HydrophobicContact CG2-CB 3.94Å; V161-M253 HydrophobicContact CB-CG 4.35Å; V161-M253 HydrophobicContact CG1-CG 4.03Å; V161-M253 HydrophobicContact CG1-SD 4.1Å; V161-M253 HydrophobicContact CG2-CG 3.84Å; V161-F312 HydrophobicContact CG1-CE1 4.49Å; V161-F312 HydrophobicContact CG1-CZ 4.18Å
162	R	97.9	Very high	95.3	Very high	9 Å²	9	25.8 Å²	25.8	3%	0.034	14%	0.138	C	C	.	.	H	α-helix	trans	-57.7	-45.2	170.3	-77.7	-172.5	-80.1	-78.7	0.4	113.3	D158 E160 R166 F312 F313 A316 F317 T318	D158-R162 WeakPolarHBondContact O-CG 3.38Å; D158-R162 PolarHBondContact O-N 2.98Å; D158-R162 IonicContact OD2-CZ 3.65Å; D158-R162 IonicContact OD2-NH1 2.92Å; D158-R162 PolarHBondContact OD2-NH1 3.08Å; D158-R162 IonicContact OD2-NH2 2.69Å; E160-R162 PolarHBondContact O-N 3.07Å; R162-R166 WeakPolarHBondContact O-CB 3.43Å; R162-R166 WeakPolarHBondContact O-CG 3.39Å; R162-R166 PolarHBondContact O-N 3.48Å; R162-R166 VanDerWaalsContact O-N 3.07Å; R162-F312 VanDerWaalsContact CD-O 3.25Å; R162-F312 WeakPolarHBondContact CD-O 3.34Å; R162-F312 HydrophobicContact CG-CD1 3.89Å; R162-F312 HydrophobicContact CG-CE1 3.39Å; R162-F312 HydrophobicContact CG-CZ 3.82Å; R162-F312 PolarHBondContact NH1-O 2.76Å; R162-F313 HydrophobicContact CB-CD1 4.06Å; R162-F313 HydrophobicContact CB-CE1 4.13Å; R162-F313 HydrophobicContact CG-CD1 3.74Å; R162-F313 HydrophobicContact CG-CE1 3.99Å; R162-F313 HydrophobicContact CG-CG 4.47Å; R162-A316 VanDerWaalsContact CZ-CB 3.48Å; R162-F317 PolarHBondContact NE-O 2.91Å; R162-F317 PolarHBondContact NH2-O 3.22Å; R162-T318 HydrophobicContact CB-CG2 3.85Å; R162-T318 WeakPolarHBondContact CD-OG1 3.37Å
163	Y	98.2	Very high	96.3	Very high	18 Å²	18	25.9 Å²	25.9	7%	0.071	13%	0.128	C	C	.	.	H	α-helix	trans	-61.9	-43.8	-178.5	174.7	-102.5	0	0	0	112.3	P159 E160 V161 Q167 M196 P319 L322	P159-Y163 WeakPolarHBondContact O-CB 3.16Å; P159-Y163 PolarHBondContact O-N 3.48Å; E160-Y163 WeakPolarHBondContact O-CB 3.48Å; E160-Y163 PolarHBondContact O-N 3.39Å; E160-Y163 VanDerWaalsContact O-N 3.15Å; V161-Y163 PolarHBondContact O-N 2.73Å; Y163-Q167 VanDerWaalsContact CZ-NE2 3.34Å; Y163-Q167 WeakPolarHBondContact O-CG 3.18Å; Y163-Q167 PolarHBondContact O-NE2 2.6Å; Y163-M196 WeakPolarHBondContact CE1-O 3.44Å; Y163-M196 PolarHBondContact OH-O 2.91Å; Y163-P319 VanDerWaalsContact CD2-O 3.3Å; Y163-P319 WeakPolarHBondContact CD2-O 3.44Å; Y163-L322 HydrophobicContact CD1-CB 4.44Å; Y163-L322 HydrophobicContact CD1-CD1 3.4Å; Y163-L322 HydrophobicContact CD1-CG 3.55Å; Y163-L322 HydrophobicContact CE1-CB 4.2Å; Y163-L322 HydrophobicContact CE1-CD1 3.85Å; Y163-L322 HydrophobicContact CE1-CG 3.8Å; Y163-L322 HydrophobicContact CG-CD1 4.16Å; Y163-L322 HydrophobicContact CG-CG 4.01Å
164	Y	98.6	Very high	96.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-75.3	-44	177.1	-66.6	-57.7	0	0	0	112.7	L146 L156 E160 V161 R166 Q167 I168 V192 M196 L198 L322	L146-Y164 HydrophobicContact CD1-CG 4.24Å; L146-Y164 HydrophobicContact CD2-CD1 3.9Å; L146-Y164 HydrophobicContact CD2-CD2 4.04Å; L146-Y164 HydrophobicContact CD2-CE1 3.83Å; L146-Y164 HydrophobicContact CD2-CE2 3.97Å; L146-Y164 HydrophobicContact CD2-CG 4Å; L156-Y164 HydrophobicContact CD1-CD2 3.84Å; L156-Y164 HydrophobicContact CD1-CE2 3.78Å; E160-Y164 WeakPolarHBondContact O-CD2 3.42Å; E160-Y164 PolarHBondContact O-N 2.85Å; V161-Y164 PolarHBondContact O-N 3.08Å; Y164-R166 PolarHBondContact O-N 3.27Å; Y164-Q167 WeakPolarHBondContact O-CB 3.25Å; Y164-Q167 PolarHBondContact O-N 2.98Å; Y164-Q167 VanDerWaalsContact O-N 3.07Å; Y164-I168 WeakPolarHBondContact O-CG1 3.38Å; Y164-I168 PolarHBondContact O-N 3.45Å; Y164-V192 HydrophobicContact CE1-CG2 4.46Å; Y164-M196 VanDerWaalsContact OH-CE 3.26Å; Y164-M196 WeakPolarHBondContact OH-CE 3.34Å; Y164-L198 HydrophobicContact CD1-CB 4.4Å; Y164-L198 HydrophobicContact CD1-CD1 3.81Å; Y164-L198 HydrophobicContact CG-CD1 4.3Å; Y164-L322 HydrophobicContact CE1-CD1 4.4Å; Y164-L322 HydrophobicContact CE2-CD1 3.72Å
165	L	98.5	Very high	97.3	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-61.3	-39.7	-179.5	-71.6	175.5	0	0	0	112.5	V161 Q167 I168 I169 L245 V248 M249 F312 F313	V161-L165 HydrophobicContact CG1-CD1 3.55Å; V161-L165 HydrophobicContact CG1-CG 4.07Å; V161-L165 VanDerWaalsContact O-CB 3.28Å; V161-L165 WeakPolarHBondContact O-CB 3.36Å; V161-L165 VanDerWaalsContact O-CG 3.23Å; V161-L165 WeakPolarHBondContact O-CG 3.13Å; V161-L165 PolarHBondContact O-N 3.16Å; L165-Q167 PolarHBondContact O-N 2.81Å; L165-I168 HydrophobicContact CD2-CD1 4.35Å; L165-I168 PolarHBondContact O-N 3.4Å; L165-I169 HydrophobicContact CB-CD1 4.45Å; L165-I169 WeakPolarHBondContact O-CB 3.46Å; L165-I169 WeakPolarHBondContact O-CD1 3.42Å; L165-I169 WeakPolarHBondContact O-CG1 3.34Å; L165-I169 PolarHBondContact O-N 3.3Å; L165-L245 HydrophobicContact CD2-CD1 3.58Å; L165-L245 HydrophobicContact CD2-CG 4.39Å; L165-V248 HydrophobicContact CD2-CG1 4.48Å; L165-M249 HydrophobicContact CD1-CB 3.97Å; L165-M249 HydrophobicContact CD1-CG 3.81Å; L165-M249 HydrophobicContact CD1-SD 3.84Å; L165-M249 HydrophobicContact CD2-CB 4.29Å; L165-F312 HydrophobicContact CD1-CE1 4.4Å; L165-F313 HydrophobicContact CB-CE1 4.07Å; L165-F313 HydrophobicContact CB-CZ 3.81Å; L165-F313 HydrophobicContact CD1-CZ 4.11Å
166	R	98.4	Very high	97.6	Very high	121 Å²	121	21.6 Å²	21.6	46%	0.457	10%	0.104	S	C	.	.	H	α-helix	trans	-56.7	-38.1	174.4	-77.1	176	69.2	-165.3	-1.8	112.5	R162 Y164 S170 L308 F313	R162-R166 WeakPolarHBondContact O-CB 3.43Å; R162-R166 WeakPolarHBondContact O-CG 3.39Å; R162-R166 PolarHBondContact O-N 3.48Å; R162-R166 VanDerWaalsContact O-N 3.07Å; Y164-R166 PolarHBondContact O-N 3.27Å; R166-S170 VanDerWaalsContact O-CB 3.29Å; R166-S170 WeakPolarHBondContact O-CB 3.4Å; R166-S170 PolarHBondContact O-N 3.46Å; R166-L308 HydrophobicContact CG-CD2 3.98Å; R166-F313 HydrophobicContact CG-CD1 3.86Å; R166-F313 HydrophobicContact CG-CE1 3.8Å
167	Q	98.6	Very high	97.7	Very high	15 Å²	15	27.5 Å²	27.5	7%	0.07	14%	0.136	C	C	.	.	H	α-helix	trans	-76.2	-41.7	179.4	-64.7	177.6	79.5	0	0	111.9	H120 Y163 Y164 L165 S170 G171 L198	H120-Q167 WeakPolarHBondContact CB-O 3.48Å; H120-Q167 PolarHBondContact CE1-OE1 3.05Å; H120-Q167 PolarHBondContact ND1-OE1 3.46Å; Y163-Q167 VanDerWaalsContact CZ-NE2 3.34Å; Y163-Q167 WeakPolarHBondContact O-CG 3.18Å; Y163-Q167 PolarHBondContact O-NE2 2.6Å; Y164-Q167 WeakPolarHBondContact O-CB 3.25Å; Y164-Q167 PolarHBondContact O-N 2.98Å; Y164-Q167 VanDerWaalsContact O-N 3.07Å; L165-Q167 PolarHBondContact O-N 2.81Å; Q167-S170 PolarHBondContact O-N 2.65Å; Q167-G171 PolarHBondContact O-N 2.77Å; Q167-L198 HydrophobicContact CB-CB 3.93Å; Q167-L198 HydrophobicContact CB-CD2 4.47Å
168	I	98.7	Very high	97.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.1	-48.6	173.7	-66.3	164.4	0	0	0	110.2	L146 Y164 L165 S170 G171 L172 F190 L198 L200 L245 V248	L146-I168 HydrophobicContact CD1-CD1 4.21Å; Y164-I168 WeakPolarHBondContact O-CG1 3.38Å; Y164-I168 PolarHBondContact O-N 3.45Å; L165-I168 HydrophobicContact CD2-CD1 4.35Å; L165-I168 PolarHBondContact O-N 3.4Å; I168-S170 PolarHBondContact O-N 3.29Å; I168-G171 PolarHBondContact O-N 3.17Å; I168-L172 HydrophobicContact CG2-CD1 3.99Å; I168-L172 PolarHBondContact O-N 3.39Å; I168-F190 HydrophobicContact CD1-CD1 4.42Å; I168-F190 HydrophobicContact CD1-CD2 3.98Å; I168-F190 HydrophobicContact CD1-CE1 4.45Å; I168-F190 HydrophobicContact CD1-CE2 4.04Å; I168-F190 HydrophobicContact CD1-CG 4.18Å; I168-F190 HydrophobicContact CD1-CZ 4.26Å; I168-F190 HydrophobicContact CG1-CD1 4.21Å; I168-F190 HydrophobicContact CG1-CE1 4.32Å; I168-F190 HydrophobicContact CG1-CG 4.35Å; I168-F190 HydrophobicContact CG2-CE1 4.05Å; I168-F190 HydrophobicContact CG2-CZ 4.21Å; I168-L198 HydrophobicContact CD1-CD1 3.87Å; I168-L198 HydrophobicContact CG1-CD1 3.56Å; I168-L198 HydrophobicContact CG1-CD2 3.57Å; I168-L198 HydrophobicContact CG1-CG 4.24Å; I168-L200 HydrophobicContact CG1-CD2 4.46Å; I168-L200 HydrophobicContact CG2-CD2 4.19Å; I168-L245 HydrophobicContact CB-CD1 4.29Å; I168-L245 HydrophobicContact CG2-CD1 3.48Å; I168-L245 VanDerWaalsContact CG2-CD1 3.48Å; I168-V248 HydrophobicContact CD1-CG1 4.3Å
169	I	98.6	Very high	97.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-42.4	177.8	-66.3	161.1	0	0	0	111.1	L165 G171 L172 K173 L245 L304 I307 L308 F313	L165-I169 HydrophobicContact CB-CD1 4.45Å; L165-I169 WeakPolarHBondContact O-CB 3.46Å; L165-I169 WeakPolarHBondContact O-CD1 3.42Å; L165-I169 WeakPolarHBondContact O-CG1 3.34Å; L165-I169 PolarHBondContact O-N 3.3Å; I169-G171 VanDerWaalsContact C-N 3.32Å; I169-G171 PolarHBondContact O-N 2.86Å; I169-L172 PolarHBondContact O-N 3.04Å; I169-K173 HydrophobicContact CG2-CD 4.48Å; I169-K173 HydrophobicContact CG2-CG 4.3Å; I169-K173 PolarHBondContact O-N 2.91Å; I169-L245 HydrophobicContact CD1-CD2 4.31Å; I169-L245 HydrophobicContact CG1-CD2 3.67Å; I169-L304 HydrophobicContact CG1-CD2 4.34Å; I169-L304 HydrophobicContact CG2-CB 3.97Å; I169-L304 HydrophobicContact CG2-CD2 4.16Å; I169-I307 HydrophobicContact CD1-CB 4.47Å; I169-I307 HydrophobicContact CD1-CG2 3.54Å; I169-L308 HydrophobicContact CB-CD2 4.36Å; I169-L308 HydrophobicContact CD1-CD2 3.79Å; I169-L308 HydrophobicContact CD1-CG 4.13Å; I169-L308 HydrophobicContact CG2-CD1 3.7Å; I169-L308 HydrophobicContact CG2-CD2 4.19Å; I169-L308 HydrophobicContact CG2-CG 3.84Å; I169-F313 HydrophobicContact CD1-CZ 4.24Å
170	S	98.6	Very high	97.8	Very high	44 Å²	44	29.7 Å²	29.7	31%	0.308	14%	0.141	S	C	.	.	H	α-helix	trans	-59.5	-42.5	175.1	176.3	0	0	0	0	111.8	H118 R166 Q167 I168 Y174	H118-S170 PolarHBondContact CE1-O 2.8Å; H118-S170 PolarHBondContact CE1-OG 2.98Å; H118-S170 VanDerWaalsContact CE1-OG 3.29Å; R166-S170 VanDerWaalsContact O-CB 3.29Å; R166-S170 WeakPolarHBondContact O-CB 3.4Å; R166-S170 PolarHBondContact O-N 3.46Å; Q167-S170 PolarHBondContact O-N 2.65Å; I168-S170 PolarHBondContact O-N 3.29Å; S170-Y174 PolarHBondContact O-N 3.41Å
171	G	98.4	Very high	97.7	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.2	-43.1	171.9	0	0	0	0	0	113.2	Q167 I168 I169 Y174 L175 L200	Q167-G171 PolarHBondContact O-N 2.77Å; I168-G171 PolarHBondContact O-N 3.17Å; I169-G171 VanDerWaalsContact C-N 3.32Å; I169-G171 PolarHBondContact O-N 2.86Å; G171-Y174 WeakPolarHBondContact O-CB 3.37Å; G171-Y174 PolarHBondContact O-N 2.84Å; G171-L175 WeakPolarHBondContact O-CG 3.38Å; G171-L175 PolarHBondContact O-N 2.83Å; G171-L200 VanDerWaalsContact C-CD1 3.48Å
172	L	98.3	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.7	-45.5	-179.6	-92.7	163.6	0	0	0	113	I168 I169 Y174 L175 H176 L185 L200 D241 L245 L304	I168-L172 HydrophobicContact CG2-CD1 3.99Å; I168-L172 PolarHBondContact O-N 3.39Å; I169-L172 PolarHBondContact O-N 3.04Å; L172-Y174 PolarHBondContact O-N 2.93Å; L172-L175 PolarHBondContact O-N 3.37Å; L172-H176 WeakPolarHBondContact O-CB 3.43Å; L172-H176 PolarHBondContact O-N 2.98Å; L172-L185 HydrophobicContact CD1-CD1 3.83Å; L172-L185 HydrophobicContact CD1-CD2 4.28Å; L172-L185 HydrophobicContact CD2-CD1 3.91Å; L172-L185 HydrophobicContact CD2-CD2 4.31Å; L172-L185 HydrophobicContact CG-CD1 4.38Å; L172-L185 HydrophobicContact CG-CD2 4.4Å; L172-L200 HydrophobicContact CG-CD1 4.25Å; L172-D241 HydrophobicContact CD2-CB 4.02Å; L172-L245 HydrophobicContact CD1-CD2 4.44Å; L172-L304 HydrophobicContact CB-CD1 3.93Å; L172-L304 HydrophobicContact CB-CD2 4.5Å
173	K	98.3	Very high	97.5	Very high	58 Å²	58	31.2 Å²	31.2	25%	0.252	15%	0.147	S	C	.	.	H	α-helix	trans	-55.7	-39.3	174.5	-76.2	-163.4	58.4	161.7	0	111.6	I169 N177 L304 D305	I169-K173 HydrophobicContact CG2-CD 4.48Å; I169-K173 HydrophobicContact CG2-CG 4.3Å; I169-K173 PolarHBondContact O-N 2.91Å; K173-N177 WeakPolarHBondContact O-CB 3.3Å; K173-N177 PolarHBondContact O-N 2.94Å; K173-N177 PolarHBondContact O-OD1 3.45Å; K173-L304 HydrophobicContact CB-CD1 4.47Å; K173-L304 HydrophobicContact CD-CB 4.24Å; K173-L304 HydrophobicContact CG-CB 3.88Å; K173-L304 HydrophobicContact CG-CD1 3.62Å; K173-L304 HydrophobicContact CG-CG 4.4Å; K173-D305 IonicContact NZ-OD1 3.19Å; K173-D305 PolarHBondContact NZ-OD1 2.8Å; K173-D305 IonicContact NZ-OD2 2.79Å; K173-D305 PolarHBondContact NZ-OD2 3.14Å
174	Y	98.5	Very high	97.3	Very high	39 Å²	39	30.8 Å²	30.8	15%	0.153	15%	0.146	C	C	.	.	H	α-helix	trans	-63.9	-39.4	175.8	172.1	-92.6	0	0	0	113.3	L116 H117 H118 V121 S170 G171 L172 R178	L116-Y174 HydrophobicContact CB-CE1 4.38Å; L116-Y174 HydrophobicContact CD2-CE1 4.14Å; H117-Y174 PolarHBondContact N-OH 3.24Å; H117-Y174 WeakPolarHBondContact O-CE2 3.41Å; H117-Y174 PolarHBondContact O-OH 2.93Å; H118-Y174 HydrophobicContact CB-CD1 3.55Å; H118-Y174 HydrophobicContact CB-CD2 3.72Å; H118-Y174 HydrophobicContact CB-CE1 3.73Å; H118-Y174 HydrophobicContact CB-CE2 3.89Å; H118-Y174 HydrophobicContact CB-CG 3.54Å; H118-Y174 AromaticContact CD2-CD2 3.9Å; H118-Y174 AromaticContact CD2-CG 4Å; H118-Y174 AromaticContact CG-CD2 3.85Å; H118-Y174 AromaticContact CG-CG 3.59Å; V121-Y174 HydrophobicContact CG2-CD1 4.2Å; S170-Y174 PolarHBondContact O-N 3.41Å; G171-Y174 WeakPolarHBondContact O-CB 3.37Å; G171-Y174 PolarHBondContact O-N 2.84Å; L172-Y174 PolarHBondContact O-N 2.93Å; Y174-R178 PolarHBondContact OH-NE 2.92Å; Y174-R178 PolarHBondContact OH-NH1 3.02Å; Y174-R178 PolarHBondContact OH-NH2 2.93Å
175	L	97.9	Very high	97.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-71.4	-48.9	176.8	-62.7	173.5	0	0	0	111.4	L116 G171 L172 N177 R178 G179 I180 L200 F203	L116-L175 HydrophobicContact CD1-CD2 3.83Å; L116-L175 HydrophobicContact CD2-CD2 4.01Å; G171-L175 WeakPolarHBondContact O-CG 3.38Å; G171-L175 PolarHBondContact O-N 2.83Å; L172-L175 PolarHBondContact O-N 3.37Å; L175-N177 PolarHBondContact O-N 3.15Å; L175-R178 CarbonylContact O-C 3.59Å; L175-R178 WeakPolarHBondContact O-CA 3.47Å; L175-R178 PolarHBondContact O-N 2.97Å; L175-G179 PolarHBondContact O-N 2.8Å; L175-I180 CarbonylContact C-O 3.6Å; L175-I180 HydrophobicContact CB-CB 4.39Å; L175-I180 HydrophobicContact CB-CG2 4.5Å; L175-I180 HydrophobicContact CD2-CG2 4.26Å; L175-I180 PolarHBondContact O-N 2.9Å; L175-L200 HydrophobicContact CD1-CD1 3.96Å; L175-F203 HydrophobicContact CD1-CE1 3.92Å; L175-F203 HydrophobicContact CD1-CZ 4.44Å; L175-F203 HydrophobicContact CD2-CE1 3.86Å; L175-F203 HydrophobicContact CD2-CZ 4.35Å
176	H	97.3	Very high	97.1	Very high	25 Å²	25	32.6 Å²	32.6	12%	0.116	15%	0.154	C	C	.	.	H	α-helix	trans	-63.5	-40.7	-178.5	-69.2	-176.4	0	0	0	111.8	L172 R178 G179 I180 T238 D241	L172-H176 WeakPolarHBondContact O-CB 3.43Å; L172-H176 PolarHBondContact O-N 2.98Å; H176-R178 PolarHBondContact O-N 3.41Å; H176-R178 VanDerWaalsContact O-N 3.15Å; H176-G179 PolarHBondContact O-N 2.98Å; H176-I180 PolarHBondContact CD2-O 2.87Å; H176-T238 HydrophobicContact CB-CG2 4.06Å; H176-T238 PolarHBondContact CE1-O 2.99Å; H176-D241 IonicContact CD2-OD2 2.8Å; H176-D241 IonicContact CE1-OD2 3.71Å; H176-D241 IonicContact NE2-OD2 3.7Å; H176-D241 PolarHBondContact NE2-OD2 3.47Å
177	N	97	Very high	97.1	Very high	132 Å²	132	27.1 Å²	27.1	71%	0.706	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.9	173.8	-72.1	10.8	0	0	0	113.8	K173 L175	K173-N177 WeakPolarHBondContact O-CB 3.3Å; K173-N177 PolarHBondContact O-N 2.94Å; K173-N177 PolarHBondContact O-OD1 3.45Å; L175-N177 PolarHBondContact O-N 3.15Å
178	R	96.1	Very high	96.9	Very high	123 Å²	123	27.5 Å²	27.5	46%	0.464	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	6.5	172.8	-75.5	-177.2	156.5	-147	0.7	113.1	T115 Y174 L175 H176 I180	T115-R178 PolarHBondContact O-NH1 2.95Å; Y174-R178 PolarHBondContact OH-NE 2.92Å; Y174-R178 PolarHBondContact OH-NH1 3.02Å; Y174-R178 PolarHBondContact OH-NH2 2.93Å; L175-R178 CarbonylContact O-C 3.59Å; L175-R178 WeakPolarHBondContact O-CA 3.47Å; L175-R178 PolarHBondContact O-N 2.97Å; H176-R178 PolarHBondContact O-N 3.41Å; H176-R178 VanDerWaalsContact O-N 3.15Å; R178-I180 VanDerWaalsContact C-N 3.35Å; R178-I180 HydrophobicContact CB-CD1 4.21Å; R178-I180 HydrophobicContact CB-CG1 4.33Å
179	G	95.3	Very high	96.8	Very high	25 Å²	25	28 Å²	28	26%	0.258	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	40.8	-173.6	0	0	0	0	0	112.2	L175 H176 K208 L209	L175-G179 PolarHBondContact O-N 2.8Å; H176-G179 PolarHBondContact O-N 2.98Å; G179-K208 CarbonylContact O-C 3.49Å; G179-K208 VanDerWaalsContact O-CA 3.25Å; G179-K208 WeakPolarHBondContact O-CA 3.48Å; G179-L209 PolarHBondContact O-N 2.87Å
180	I	95.9	Very high	96.8	Very high	10 Å²	10	28 Å²	28	5%	0.051	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.5	177.9	-64.1	174.7	0	0	0	109.5	L112 L116 L175 H176 R178 A207	L112-I180 HydrophobicContact CD1-CG2 4.29Å; L112-I180 HydrophobicContact CD2-CD1 4.38Å; L112-I180 HydrophobicContact CD2-CG2 4.15Å; L112-I180 HydrophobicContact CG-CD1 4.34Å; L116-I180 HydrophobicContact CD2-CD1 3.76Å; L175-I180 CarbonylContact C-O 3.6Å; L175-I180 HydrophobicContact CB-CB 4.39Å; L175-I180 HydrophobicContact CB-CG2 4.5Å; L175-I180 HydrophobicContact CD2-CG2 4.26Å; L175-I180 PolarHBondContact O-N 2.9Å; H176-I180 PolarHBondContact CD2-O 2.87Å; R178-I180 VanDerWaalsContact C-N 3.35Å; R178-I180 HydrophobicContact CB-CD1 4.21Å; R178-I180 HydrophobicContact CB-CG1 4.33Å; I180-A207 CarbonylContact C-O 2.94Å; I180-A207 WeakPolarHBondContact CA-O 3.3Å
181	L	95.3	Very high	96.7	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	142.7	172.8	-57.3	-177.9	0	0	0	110.3	R183 A206 A207 L209 H236 T238	L181-R183 HydrophobicContact CB-CG 3.79Å; L181-A206 VanDerWaalsContact O-CA 3.26Å; L181-A206 WeakPolarHBondContact O-CA 3.4Å; L181-A206 WeakPolarHBondContact O-CB 3.47Å; L181-A207 PolarHBondContact N-O 2.8Å; L181-A207 PolarHBondContact O-N 2.9Å; L181-A207 VanDerWaalsContact O-N 3.08Å; L181-L209 HydrophobicContact CD1-CD1 3.98Å; L181-L209 HydrophobicContact CD2-CD1 4.27Å; L181-L209 HydrophobicContact CG-CB 4.33Å; L181-L209 HydrophobicContact CG-CD1 4.29Å; L181-H236 HydrophobicContact CD1-CB 4.12Å; L181-T238 HydrophobicContact CD2-CG2 3.66Å
182	H	96	Very high	96.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.			trans	-87.7	-41	178.5	-167.2	-30.5	0	0	0	112.3	D184 L185 G201 D202 D241	H182-D184 PolarHBondContact O-N 2.91Å; H182-L185 HydrophobicContact CB-CD2 4.03Å; H182-L185 HydrophobicContact CB-CG 4.03Å; H182-L185 WeakPolarHBondContact CD2-CD2 3.32Å; H182-G201 PolarHBondContact CE1-O 3.04Å; H182-G201 PolarHBondContact NE2-O 2.87Å; H182-D202 PolarHBondContact CE1-O 3.49Å; H182-D241 PolarHBondContact N-OD2 3.18Å
183	R	94.7	Very high	96.6	Very high	35 Å²	35	29.2 Å²	29.2	13%	0.132	15%	0.145	C	C	.	.	S	Bend	trans	59.9	6.7	174.7	-50.1	-171.5	-61.9	166.5	1	117.1	L181 L205 A206 G221 H236 D241	L181-R183 HydrophobicContact CB-CG 3.79Å; R183-L205 PolarHBondContact NE-O 2.83Å; R183-L205 PolarHBondContact NH2-O 2.8Å; R183-A206 PolarHBondContact NH2-O 3.26Å; R183-G221 VanDerWaalsContact O-CA 3.29Å; R183-G221 WeakPolarHBondContact O-CA 3.42Å; R183-H236 HydrophobicContact CG-CB 4.09Å; R183-D241 PolarHBondContact N-OD1 2.91Å
184	D	94.9	Very high	96.4	Very high	9 Å²	9	32.4 Å²	32.4	5%	0.048	16%	0.161	C	C	.	.			trans	-152.6	47.2	176.1	-167.3	41.6	0	0	0	111.5	H182 K186 N189 L205 T222	H182-D184 PolarHBondContact O-N 2.91Å; D184-K186 PolarHBondContact O-N 2.78Å; D184-K186 IonicContact OD1-NZ 3.75Å; D184-K186 PolarHBondContact OD1-NZ 3.37Å; D184-K186 WeakPolarHBondContact OD2-CE 3.34Å; D184-K186 IonicContact OD2-NZ 3.83Å; D184-K186 PolarHBondContact OD2-NZ 2.89Å; D184-N189 PolarHBondContact O-ND2 2.69Å; D184-N189 PolarHBondContact OD2-ND2 3.4Å; D184-L205 HydrophobicContact CB-CB 4.19Å; D184-L205 HydrophobicContact CB-CD1 3.89Å; D184-T222 WeakPolarHBondContact OD1-CB 3.44Å; D184-T222 PolarHBondContact OD1-N 3.2Å; D184-T222 PolarHBondContact OD1-OG1 3.48Å
185	L	97.3	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.			trans	-71.8	119.3	174.8	-67	164	0	0	0	109.9	L172 H182 F190 D241	L172-L185 HydrophobicContact CD1-CD1 3.83Å; L172-L185 HydrophobicContact CD1-CD2 4.28Å; L172-L185 HydrophobicContact CD2-CD1 3.91Å; L172-L185 HydrophobicContact CD2-CD2 4.31Å; L172-L185 HydrophobicContact CG-CD1 4.38Å; L172-L185 HydrophobicContact CG-CD2 4.4Å; H182-L185 HydrophobicContact CB-CD2 4.03Å; H182-L185 HydrophobicContact CB-CG 4.03Å; H182-L185 WeakPolarHBondContact CD2-CD2 3.32Å; L185-F190 HydrophobicContact CB-CE1 4.47Å; L185-F190 HydrophobicContact CB-CZ 4.11Å; L185-F190 HydrophobicContact CD2-CE1 3.76Å; L185-F190 HydrophobicContact CD2-CZ 4.17Å; L185-D241 HydrophobicContact CD1-CB 3.55Å; L185-D241 WeakPolarHBondContact CD1-O 3.39Å
186	K	95.9	Very high	96.1	Very high	43 Å²	43	34.4 Å²	34.4	19%	0.187	17%	0.174	C	C	.	.			trans	-159.7	162.4	-179.3	68.6	-156.2	-173.8	-162.7	0	110.6	D184 G188 N189 F190 T222 Y225	D184-K186 PolarHBondContact O-N 2.78Å; D184-K186 IonicContact OD1-NZ 3.75Å; D184-K186 PolarHBondContact OD1-NZ 3.37Å; D184-K186 WeakPolarHBondContact OD2-CE 3.34Å; D184-K186 IonicContact OD2-NZ 3.83Å; D184-K186 PolarHBondContact OD2-NZ 2.89Å; K186-G188 PolarHBondContact O-N 3.07Å; K186-N189 WeakPolarHBondContact CE-ND2 3.27Å; K186-N189 VanDerWaalsContact CE-OD1 3.31Å; K186-N189 WeakPolarHBondContact CE-OD1 3.4Å; K186-N189 HydrophobicContact CG-CB 4.18Å; K186-N189 PolarHBondContact O-N 2.99Å; K186-F190 VanDerWaalsContact C-CE2 3.49Å; K186-F190 VanDerWaalsContact O-CD2 3.31Å; K186-F190 WeakPolarHBondContact O-CD2 3.39Å; K186-F190 WeakPolarHBondContact O-CE2 3.19Å; K186-T222 HydrophobicContact CD-CG2 4.24Å; K186-T222 WeakPolarHBondContact CD-OG1 3.44Å; K186-T222 PolarHBondContact NZ-OG1 3.27Å; K186-Y225 HydrophobicContact CB-CD1 4.29Å; K186-Y225 HydrophobicContact CB-CD2 3.96Å; K186-Y225 HydrophobicContact CB-CE1 4.15Å; K186-Y225 HydrophobicContact CB-CE2 3.82Å; K186-Y225 HydrophobicContact CB-CG 4.2Å
187	L	96.8	Very high	96.1	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.026	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-53.7	-29.9	-179.2	-57.4	-172.9	0	0	0	114.1	L146 A147 W150 N189 F190 V248 T251 L252	L146-L187 CarbonylContact C-O 3.51Å; L146-L187 HydrophobicContact CB-CB 4.39Å; L146-L187 HydrophobicContact CB-CD2 4.3Å; L146-L187 PolarHBondContact N-O 2.93Å; A147-L187 HydrophobicContact CB-CB 3.85Å; A147-L187 PolarHBondContact N-O 2.84Å; W150-L187 HydrophobicContact CB-CD1 3.91Å; W150-L187 HydrophobicContact CD2-CD1 4.05Å; W150-L187 HydrophobicContact CG-CD1 3.7Å; L187-N189 VanDerWaalsContact C-N 3.31Å; L187-N189 PolarHBondContact O-N 3.26Å; L187-F190 HydrophobicContact CD2-CD2 4.34Å; L187-F190 HydrophobicContact CD2-CE2 4.44Å; L187-V248 HydrophobicContact CD2-CG1 3.97Å; L187-V248 HydrophobicContact CD2-CG2 4.39Å; L187-T251 HydrophobicContact CD1-CG2 3.74Å; L187-L252 HydrophobicContact CD1-CD2 4.13Å; L187-L252 HydrophobicContact CD2-CD1 4.31Å; L187-L252 HydrophobicContact CD2-CD2 3.68Å; L187-L252 HydrophobicContact CD2-CG 3.85Å
188	G	94.7	Very high	96.2	Very high	24 Å²	24	28.9 Å²	28.9	25%	0.247	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-66.5	-29	176.8	0	0	0	0	0	114.5	S145 K186 F191	S145-G188 VanDerWaalsContact CB-O 3.31Å; S145-G188 WeakPolarHBondContact CB-O 3.38Å; S145-G188 PolarHBondContact OG-O 3.37Å; K186-G188 PolarHBondContact O-N 3.07Å; G188-F191 WeakPolarHBondContact O-CZ 3.39Å
189	N	96.5	Very high	96.3	Very high	9 Å²	9	24.3 Å²	24.3	5%	0.048	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-99.3	-0.4	-170.9	-69	4.4	0	0	0	113.1	D184 K186 L187 F191 G201	D184-N189 PolarHBondContact O-ND2 2.69Å; D184-N189 PolarHBondContact OD2-ND2 3.4Å; K186-N189 WeakPolarHBondContact CE-ND2 3.27Å; K186-N189 VanDerWaalsContact CE-OD1 3.31Å; K186-N189 WeakPolarHBondContact CE-OD1 3.4Å; K186-N189 HydrophobicContact CG-CB 4.18Å; K186-N189 PolarHBondContact O-N 2.99Å; L187-N189 VanDerWaalsContact C-N 3.31Å; L187-N189 PolarHBondContact O-N 3.26Å; N189-F191 WeakPolarHBondContact O-CD2 3.36Å; N189-F191 WeakPolarHBondContact O-CE2 3.38Å; N189-G201 WeakPolarHBondContact CB-O 3.34Å; N189-G201 PolarHBondContact O-N 3.28Å
190	F	98.3	Very high	96.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	96.4	172.8	-53.5	-42.5	0	0	0	109.8	S145 L146 I168 L185 K186 L187 L198 L200 V248	S145-F190 CarbonylContact C-O 3.47Å; S145-F190 WeakPolarHBondContact CA-O 3.25Å; S145-F190 WeakPolarHBondContact CB-O 3.28Å; L146-F190 HydrophobicContact CB-CB 4.21Å; L146-F190 HydrophobicContact CD1-CB 3.9Å; L146-F190 HydrophobicContact CD1-CD2 3.94Å; L146-F190 HydrophobicContact CD1-CG 4.31Å; L146-F190 HydrophobicContact CG-CB 3.85Å; L146-F190 PolarHBondContact N-O 3.32Å; I168-F190 HydrophobicContact CD1-CD1 4.42Å; I168-F190 HydrophobicContact CD1-CD2 3.98Å; I168-F190 HydrophobicContact CD1-CE1 4.45Å; I168-F190 HydrophobicContact CD1-CE2 4.04Å; I168-F190 HydrophobicContact CD1-CG 4.18Å; I168-F190 HydrophobicContact CD1-CZ 4.26Å; I168-F190 HydrophobicContact CG1-CD1 4.21Å; I168-F190 HydrophobicContact CG1-CE1 4.32Å; I168-F190 HydrophobicContact CG1-CG 4.35Å; I168-F190 HydrophobicContact CG2-CE1 4.05Å; I168-F190 HydrophobicContact CG2-CZ 4.21Å; L185-F190 HydrophobicContact CB-CE1 4.47Å; L185-F190 HydrophobicContact CB-CZ 4.11Å; L185-F190 HydrophobicContact CD2-CE1 3.76Å; L185-F190 HydrophobicContact CD2-CZ 4.17Å; K186-F190 VanDerWaalsContact C-CE2 3.49Å; K186-F190 VanDerWaalsContact O-CD2 3.31Å; K186-F190 WeakPolarHBondContact O-CD2 3.39Å; K186-F190 WeakPolarHBondContact O-CE2 3.19Å; L187-F190 HydrophobicContact CD2-CD2 4.34Å; L187-F190 HydrophobicContact CD2-CE2 4.44Å; F190-L198 HydrophobicContact CB-CD1 4.03Å; F190-L198 HydrophobicContact CB-CD2 4.39Å; F190-L198 HydrophobicContact CB-CG 4.25Å; F190-L200 HydrophobicContact CD1-CD2 3.43Å; F190-L200 VanDerWaalsContact CD1-CD2 3.43Å; F190-L200 HydrophobicContact CE1-CD2 3.55Å; F190-V248 HydrophobicContact CD2-CG1 4.34Å; F190-V248 HydrophobicContact CE2-CB 4.15Å; F190-V248 HydrophobicContact CE2-CG1 3.54Å; F190-V248 HydrophobicContact CE2-CG2 3.53Å; F190-V248 HydrophobicContact CZ-CG1 4.26Å; F190-V248 HydrophobicContact CZ-CG2 3.95Å
191	F	98	Very high	96.4	Very high	60 Å²	60	22.7 Å²	22.7	26%	0.263	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	150.2	-175.5	-61.3	-84.9	0	0	0	111.4	V122 C141 K144 G188 N189 L198 R199	V122-F191 HydrophobicContact CG2-CB 4.26Å; V122-F191 HydrophobicContact CG2-CD2 3.84Å; V122-F191 HydrophobicContact CG2-CG 4.32Å; C141-F191 HydrophobicContact CB-CB 3.6Å; C141-F191 VanDerWaalsContact SG-CB 3.59Å; K144-F191 CarbonylContact O-C 3.59Å; K144-F191 VanDerWaalsContact O-CA 3.25Å; K144-F191 WeakPolarHBondContact O-CA 3.21Å; G188-F191 WeakPolarHBondContact O-CZ 3.39Å; N189-F191 WeakPolarHBondContact O-CD2 3.36Å; N189-F191 WeakPolarHBondContact O-CE2 3.38Å; F191-L198 CarbonylContact O-C 3.53Å; F191-L198 VanDerWaalsContact O-CA 3.32Å; F191-L198 WeakPolarHBondContact O-CA 3.49Å; F191-R199 HydrophobicContact CB-CB 4.5Å; F191-R199 PolarHBondContact N-O 3.08Å; F191-R199 PolarHBondContact O-N 3.02Å
192	V	98.1	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.3	-176.8	-173.9	0	0	0	0	110.3	C141 R143 K144 L146 I149 Y164 M196 E197	C141-V192 CarbonylContact C-O 3.55Å; C141-V192 WeakPolarHBondContact CB-O 3.46Å; R143-V192 WeakPolarHBondContact CA-O 3.34Å; R143-V192 HydrophobicContact CB-CB 3.96Å; R143-V192 HydrophobicContact CB-CG1 3.94Å; R143-V192 WeakPolarHBondContact CB-O 3.48Å; R143-V192 PolarHBondContact N-O 2.87Å; K144-V192 PolarHBondContact O-N 3.48Å; L146-V192 HydrophobicContact CD2-CG2 3.89Å; L146-V192 HydrophobicContact CG-CG2 4.44Å; I149-V192 HydrophobicContact CD1-CG2 4.15Å; Y164-V192 HydrophobicContact CE1-CG2 4.46Å; V192-M196 HydrophobicContact CG1-SD 4.37Å; V192-E197 WeakPolarHBondContact CA-O 3.26Å
193	N	95.5	Very high	96	Very high	11 Å²	11	25.1 Å²	25.1	6%	0.059	13%	0.125	C	C	.	.			trans	-86.4	175.9	-179.9	77.7	12.6	0	0	0	112.6	R143 N195 M196 E197 R199	R143-N193 WeakPolarHBondContact CD-O 3.28Å; R143-N193 WeakPolarHBondContact CG-O 3.29Å; R143-N193 PolarHBondContact NE-O 2.63Å; N193-N195 PolarHBondContact O-N 3.13Å; N193-N195 VanDerWaalsContact O-N 3.11Å; N193-N195 WeakPolarHBondContact OD1-CA 3.09Å; N193-N195 WeakPolarHBondContact OD1-CB 3.27Å; N193-N195 PolarHBondContact OD1-N 3.19Å; N193-M196 PolarHBondContact O-N 3.06Å; N193-M196 PolarHBondContact OD1-N 3.36Å; N193-E197 PolarHBondContact N-O 3.02Å; N193-E197 PolarHBondContact ND2-OE2 3.38Å; N193-E197 WeakPolarHBondContact OD1-CB 3.19Å; N193-E197 PolarHBondContact OD1-N 2.96Å; N193-R199 PolarHBondContact ND2-NH2 2.88Å
194	E	94.2	Very high	95.6	Very high	125 Å²	125	25.1 Å²	25.1	58%	0.584	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.1	-179.7	70.3	-162.4	176.1	0	0	113.9	S142 R143 M196	S142-E194 WeakPolarHBondContact OG-CA 3.5Å; S142-E194 WeakPolarHBondContact OG-CB 3.46Å; S142-E194 PolarHBondContact OG-N 3.13Å; R143-E194 VanDerWaalsContact CZ-O 3.29Å; R143-E194 PolarHBondContact NE-O 3.27Å; R143-E194 PolarHBondContact NH2-O 3.43Å; E194-M196 VanDerWaalsContact C-N 3.3Å; E194-M196 PolarHBondContact O-N 2.89Å
195	N	95	Very high	95.3	Very high	80 Å²	80	27.6 Å²	27.6	43%	0.428	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	12	-178.4	-69.4	-70.8	0	0	0	113.4	N193 E197	N193-N195 PolarHBondContact O-N 3.13Å; N193-N195 VanDerWaalsContact O-N 3.11Å; N193-N195 WeakPolarHBondContact OD1-CA 3.09Å; N193-N195 WeakPolarHBondContact OD1-CB 3.27Å; N193-N195 PolarHBondContact OD1-N 3.19Å; N195-E197 HydrophobicContact CB-CG 4.1Å; N195-E197 PolarHBondContact O-N 3.14Å
196	M	95.9	Very high	95.1	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.156	C	C	.	.	S	Bend	trans	64.5	11.9	-174.2	-62.3	-68.6	-70.5	0	0	114.6	R143 Y163 Y164 V192 N193 E194 L322 P323 C327	R143-M196 WeakPolarHBondContact CD-SD 3.31Å; Y163-M196 WeakPolarHBondContact CE1-O 3.44Å; Y163-M196 PolarHBondContact OH-O 2.91Å; Y164-M196 VanDerWaalsContact OH-CE 3.26Å; Y164-M196 WeakPolarHBondContact OH-CE 3.34Å; V192-M196 HydrophobicContact CG1-SD 4.37Å; N193-M196 PolarHBondContact O-N 3.06Å; N193-M196 PolarHBondContact OD1-N 3.36Å; E194-M196 VanDerWaalsContact C-N 3.3Å; E194-M196 PolarHBondContact O-N 2.89Å; M196-L322 HydrophobicContact CB-CB 4.38Å; M196-L322 HydrophobicContact CE-CB 3.87Å; M196-L322 HydrophobicContact CE-CD1 4.39Å; M196-L322 WeakPolarHBondContact CG-O 3.25Å; M196-P323 WeakPolarHBondContact CE-O 3.11Å; M196-C327 VanDerWaalsContact SD-SG 3.68Å
197	E	97.8	Very high	94.9	Very high	41 Å²	41	27 Å²	27	19%	0.192	15%	0.152	C	C	.	.			trans	-80.6	144	175.8	-45.7	-173	140.2	0	0	111.5	K119 V192 N193 N195 R199	K119-E197 WeakPolarHBondContact CE-OE1 3.43Å; K119-E197 WeakPolarHBondContact CE-OE2 3.33Å; K119-E197 IonicContact NZ-OE1 3.41Å; K119-E197 PolarHBondContact NZ-OE1 3.15Å; K119-E197 IonicContact NZ-OE2 3.01Å; V192-E197 WeakPolarHBondContact CA-O 3.26Å; N193-E197 PolarHBondContact N-O 3.02Å; N193-E197 PolarHBondContact ND2-OE2 3.38Å; N193-E197 WeakPolarHBondContact OD1-CB 3.19Å; N193-E197 PolarHBondContact OD1-N 2.96Å; N195-E197 HydrophobicContact CB-CG 4.1Å; N195-E197 PolarHBondContact O-N 3.14Å; E197-R199 IonicContact OE2-CZ 3.83Å; E197-R199 IonicContact OE2-NH1 3.64Å; E197-R199 PolarHBondContact OE2-NH1 2.9Å; E197-R199 IonicContact OE2-NH2 2.74Å
198	L	98.4	Very high	94.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	141.7	-178.5	-172.9	150.6	0	0	0	112	H120 L146 Y164 Q167 I168 F190 F191 L200	H120-L198 WeakPolarHBondContact CA-O 3.38Å; H120-L198 PolarHBondContact ND1-O 2.72Å; L146-L198 HydrophobicContact CD1-CD1 3.69Å; L146-L198 HydrophobicContact CG-CD1 4.14Å; Y164-L198 HydrophobicContact CD1-CB 4.4Å; Y164-L198 HydrophobicContact CD1-CD1 3.81Å; Y164-L198 HydrophobicContact CG-CD1 4.3Å; Q167-L198 HydrophobicContact CB-CB 3.93Å; Q167-L198 HydrophobicContact CB-CD2 4.47Å; I168-L198 HydrophobicContact CD1-CD1 3.87Å; I168-L198 HydrophobicContact CG1-CD1 3.56Å; I168-L198 HydrophobicContact CG1-CD2 3.57Å; I168-L198 HydrophobicContact CG1-CG 4.24Å; F190-L198 HydrophobicContact CB-CD1 4.03Å; F190-L198 HydrophobicContact CB-CD2 4.39Å; F190-L198 HydrophobicContact CB-CG 4.25Å; F191-L198 CarbonylContact O-C 3.53Å; F191-L198 VanDerWaalsContact O-CA 3.32Å; F191-L198 WeakPolarHBondContact O-CA 3.49Å; L198-L200 HydrophobicContact CD2-CD2 4.08Å
199	R	98.4	Very high	94.3	Very high	27 Å²	27	36.3 Å²	36.3	10%	0.102	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.6	175	-57.4	-65.2	-160.1	-106.9	-13.4	110.3	K119 V122 E139 F191 N193 E197	K119-R199 WeakPolarHBondContact O-CD 3.29Å; K119-R199 PolarHBondContact O-NE 3.42Å; K119-R199 PolarHBondContact O-NH1 3.27Å; V122-R199 HydrophobicContact CB-CB 4.36Å; V122-R199 HydrophobicContact CG2-CB 3.51Å; E139-R199 VanDerWaalsContact CD-NE 3.34Å; E139-R199 IonicContact OE1-CZ 2.62Å; E139-R199 VanDerWaalsContact OE1-CZ 3.23Å; E139-R199 IonicContact OE1-NE 2.65Å; E139-R199 PolarHBondContact OE1-NE 3.3Å; E139-R199 IonicContact OE1-NH2 3.46Å; E139-R199 PolarHBondContact OE1-NH2 2.92Å; E139-R199 IonicContact OE2-NE 2.67Å; E139-R199 PolarHBondContact OE2-NE 2.91Å; E139-R199 VanDerWaalsContact OE2-NE 3.09Å; F191-R199 HydrophobicContact CB-CB 4.5Å; F191-R199 PolarHBondContact N-O 3.08Å; F191-R199 PolarHBondContact O-N 3.02Å; N193-R199 PolarHBondContact ND2-NH2 2.88Å; E197-R199 IonicContact OE2-CZ 3.83Å; E197-R199 IonicContact OE2-NH1 3.64Å; E197-R199 PolarHBondContact OE2-NH1 2.9Å; E197-R199 IonicContact OE2-NH2 2.74Å
200	L	98.1	Very high	93.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	132.2	168.9	-59.9	-173.1	0	0	0	110.4	H120 V121 V122 I168 G171 L172 L175 F190 L198	H120-L200 WeakPolarHBondContact O-CB 3.33Å; H120-L200 WeakPolarHBondContact O-CG 3.49Å; H120-L200 PolarHBondContact O-N 3.23Å; V121-L200 HydrophobicContact CG2-CB 4.44Å; V122-L200 WeakPolarHBondContact CG2-O 3.49Å; V122-L200 PolarHBondContact N-O 2.82Å; I168-L200 HydrophobicContact CG1-CD2 4.46Å; I168-L200 HydrophobicContact CG2-CD2 4.19Å; G171-L200 VanDerWaalsContact C-CD1 3.48Å; L172-L200 HydrophobicContact CG-CD1 4.25Å; L175-L200 HydrophobicContact CD1-CD1 3.96Å; F190-L200 HydrophobicContact CD1-CD2 3.43Å; F190-L200 VanDerWaalsContact CD1-CD2 3.43Å; F190-L200 HydrophobicContact CE1-CD2 3.55Å; L198-L200 HydrophobicContact CD2-CD2 4.08Å
201	G	94.5	Very high	93.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	22%	0.217	C	C	.	.			trans	-148.6	-178.8	179.6	0	0	0	0	0	114.3	H182 N189	H182-G201 PolarHBondContact CE1-O 3.04Å; H182-G201 PolarHBondContact NE2-O 2.87Å; N189-G201 WeakPolarHBondContact CB-O 3.34Å; N189-G201 PolarHBondContact O-N 3.28Å
202	D	89.8	Confident	92.3	Very high	54 Å²	54	42.6 Å²	42.6	29%	0.289	23%	0.23	S	C	.	.			trans	64	73.7	-171.8	-158.4	13.8	0	0	0	114.5	K90 H182 G204	K90-D202 IonicContact NZ-OD1 2.66Å; K90-D202 PolarHBondContact NZ-OD1 3.3Å; H182-D202 PolarHBondContact CE1-O 3.49Å; D202-G204 PolarHBondContact O-N 3.04Å
203	F	92.4	Very high	91.4	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.013	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-82.8	11.2	-179.7	-66.7	-85.2	0	0	0	113.8	E109 L112 H113 L116 V121 L175 L205 A206	E109-F203 HydrophobicContact CG-CB 4.34Å; L112-F203 HydrophobicContact CD2-CB 4.38Å; L112-F203 HydrophobicContact CD2-CD1 4.07Å; L112-F203 HydrophobicContact CD2-CG 4.43Å; H113-F203 HydrophobicContact CB-CD2 4.43Å; H113-F203 AromaticContact CD2-CD2 3.71Å; H113-F203 AromaticContact CD2-CE2 3.86Å; H113-F203 AromaticContact CE1-CD2 3.65Å; H113-F203 AromaticContact CE1-CE2 3.97Å; H113-F203 AromaticContact CG-CD2 3.71Å; H113-F203 AromaticContact ND1-CD2 3.68Å; H113-F203 AromaticContact NE2-CD2 3.68Å; H113-F203 AromaticContact NE2-CE2 3.63Å; L116-F203 HydrophobicContact CD1-CD1 3.81Å; L116-F203 HydrophobicContact CD1-CD2 4.24Å; L116-F203 HydrophobicContact CD1-CE1 3.46Å; L116-F203 VanDerWaalsContact CD1-CE1 3.46Å; L116-F203 HydrophobicContact CD1-CE2 3.93Å; L116-F203 HydrophobicContact CD1-CG 4.21Å; L116-F203 HydrophobicContact CD1-CZ 3.54Å; V121-F203 HydrophobicContact CG1-CE2 3.84Å; V121-F203 HydrophobicContact CG1-CZ 3.68Å; L175-F203 HydrophobicContact CD1-CE1 3.92Å; L175-F203 HydrophobicContact CD1-CZ 4.44Å; L175-F203 HydrophobicContact CD2-CE1 3.86Å; L175-F203 HydrophobicContact CD2-CZ 4.35Å; F203-L205 PolarHBondContact O-N 2.91Å; F203-L205 VanDerWaalsContact O-N 3.08Å; F203-A206 HydrophobicContact CB-CB 3.95Å; F203-A206 HydrophobicContact CD1-CB 3.85Å; F203-A206 HydrophobicContact CG-CB 4.42Å; F203-A206 VanDerWaalsContact O-CB 3.25Å; F203-A206 WeakPolarHBondContact O-CB 3.39Å; F203-A206 PolarHBondContact O-N 2.79Å
204	G	87.4	Confident	90.6	Very high	35 Å²	35	55.7 Å²	55.7	36%	0.361	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-64.7	-12.1	-178.6	0	0	0	0	0	115.4	E109 D202	E109-G204 VanDerWaalsContact CD-CA 3.48Å; E109-G204 VanDerWaalsContact OE2-CA 3.29Å; E109-G204 WeakPolarHBondContact OE2-CA 3.46Å; D202-G204 PolarHBondContact O-N 3.04Å
205	L	88.8	Confident	90.1	Very high	61 Å²	61	51.7 Å²	51.7	32%	0.319	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-115.6	6.3	168.4	-70.9	179.1	0	0	0	113.6	R183 D184 F203 C220	R183-L205 PolarHBondContact NE-O 2.83Å; R183-L205 PolarHBondContact NH2-O 2.8Å; D184-L205 HydrophobicContact CB-CB 4.19Å; D184-L205 HydrophobicContact CB-CD1 3.89Å; F203-L205 PolarHBondContact O-N 2.91Å; F203-L205 VanDerWaalsContact O-N 3.08Å; L205-C220 HydrophobicContact CD2-CB 4.31Å
206	A	92.8	Very high	89.3	Confident	17 Å²	17	52.8 Å²	52.8	14%	0.14	27%	0.271	C	S	.	.			trans	-65.3	159.8	176.8	0	0	0	0	0	112.1	L112 L181 R183 F203	L112-A206 HydrophobicContact CD1-CB 3.96Å; L112-A206 HydrophobicContact CD2-CB 4.06Å; L181-A206 VanDerWaalsContact O-CA 3.26Å; L181-A206 WeakPolarHBondContact O-CA 3.4Å; L181-A206 WeakPolarHBondContact O-CB 3.47Å; R183-A206 PolarHBondContact NH2-O 3.26Å; F203-A206 HydrophobicContact CB-CB 3.95Å; F203-A206 HydrophobicContact CD1-CB 3.85Å; F203-A206 HydrophobicContact CG-CB 4.42Å; F203-A206 VanDerWaalsContact O-CB 3.25Å; F203-A206 WeakPolarHBondContact O-CB 3.39Å; F203-A206 PolarHBondContact O-N 2.79Å
207	A	90.9	Very high	88.7	Confident	13 Å²	13	58.7 Å²	58.7	11%	0.107	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	161.2	173.2	0	0	0	0	0	110.8	I180 L181	I180-A207 CarbonylContact C-O 2.94Å; I180-A207 WeakPolarHBondContact CA-O 3.3Å; L181-A207 PolarHBondContact N-O 2.8Å; L181-A207 PolarHBondContact O-N 2.9Å; L181-A207 VanDerWaalsContact O-N 3.08Å
208	K	90.9	Very high	88.1	Confident	160 Å²	160	61.1 Å²	61.1	70%	0.696	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	145.3	160.4	-67.2	-176.6	179.1	179.9	0	109.5	G179	G179-K208 CarbonylContact O-C 3.49Å; G179-K208 VanDerWaalsContact O-CA 3.25Å; G179-K208 WeakPolarHBondContact O-CA 3.48Å
209	L	89.1	Confident	87.6	Confident	64 Å²	64	64.1 Å²	64.1	34%	0.335	33%	0.33	S	S	.	.			trans	-68	130.7	171.2	175.8	62	0	0	0	109	G179 L181 T238	G179-L209 PolarHBondContact O-N 2.87Å; L181-L209 HydrophobicContact CD1-CD1 3.98Å; L181-L209 HydrophobicContact CD2-CD1 4.27Å; L181-L209 HydrophobicContact CG-CB 4.33Å; L181-L209 HydrophobicContact CG-CD1 4.29Å; L209-T238 HydrophobicContact CD2-CG2 4.35Å
210	E	87.4	Confident	87	Confident	45 Å²	45	63.9 Å²	63.9	21%	0.21	33%	0.332	C	S	.	.			trans	-110.1	151.3	-179.8	-71.8	162.2	159.5	0	0	109.8	Q214 R215 K216	E210-Q214 HydrophobicContact CB-CB 4.23Å; E210-R215 HydrophobicContact CB-CG 4.43Å; E210-R215 WeakPolarHBondContact O-CG 3.43Å; E210-K216 WeakPolarHBondContact OE1-CE 3.21Å; E210-K216 IonicContact OE1-NZ 3.23Å; E210-K216 PolarHBondContact OE1-NZ 3.05Å; E210-K216 WeakPolarHBondContact OE2-CD 3.37Å; E210-K216 WeakPolarHBondContact OE2-CG 3.41Å; E210-K216 PolarHBondContact OE2-N 3.42Å; E210-K216 IonicContact OE2-NZ 2.72Å
211	P	84	Confident	86.5	Confident	68 Å²	68	64.9 Å²	64.9	44%	0.442	34%	0.343	S	S	.	.			trans	-50.9	149.9	167.3	-25.5	34.8	0	0	0	111.4	E213 Q214 R215	P211-E213 WeakPolarHBondContact CB-OE2 3.4Å; P211-E213 PolarHBondContact O-N 3.18Å; P211-E213 VanDerWaalsContact O-N 3.08Å; P211-Q214 HydrophobicContact CB-CG 4.49Å; P211-Q214 CarbonylContact O-C 3.55Å; P211-Q214 WeakPolarHBondContact O-CA 3.15Å; P211-Q214 PolarHBondContact O-N 3.36Å; P211-R215 WeakPolarHBondContact O-CG 3.34Å; P211-R215 PolarHBondContact O-N 3.42Å
212	V	79.4	Confident	86.1	Confident	88 Å²	88	66.8 Å²	66.8	53%	0.533	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-34	-169.3	179.8	0	0	0	0	112.2	Q214	V212-Q214 VanDerWaalsContact C-N 3.31Å; V212-Q214 PolarHBondContact O-N 3.08Å
213	E	78	Confident	86	Confident	149 Å²	149	66.1 Å²	66.1	70%	0.696	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-32.6	178.9	-50.5	67.5	-142.4	0	0	111.7	P211	P211-E213 WeakPolarHBondContact CB-OE2 3.4Å; P211-E213 PolarHBondContact O-N 3.18Å; P211-E213 VanDerWaalsContact O-N 3.08Å
214	Q	80	Confident	85.9	Confident	137 Å²	137	67.3 Å²	67.3	64%	0.64	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-16.1	-174.8	-60.5	-178.8	4.4	0	0	113.3	E210 P211 V212 K216	E210-Q214 HydrophobicContact CB-CB 4.23Å; P211-Q214 HydrophobicContact CB-CG 4.49Å; P211-Q214 CarbonylContact O-C 3.55Å; P211-Q214 WeakPolarHBondContact O-CA 3.15Å; P211-Q214 PolarHBondContact O-N 3.36Å; V212-Q214 VanDerWaalsContact C-N 3.31Å; V212-Q214 PolarHBondContact O-N 3.08Å; Q214-K216 PolarHBondContact O-N 3.27Å; Q214-K216 VanDerWaalsContact O-N 3.16Å
215	R	82.6	Confident	86.3	Confident	42 Å²	42	66.9 Å²	66.9	16%	0.158	35%	0.347	C	S	.	.	S	Bend	trans	-48	118.9	-178.3	-77.9	179.6	-177.1	-162.8	0	111.7	E210 P211 K217 H236 E239	E210-R215 HydrophobicContact CB-CG 4.43Å; E210-R215 WeakPolarHBondContact O-CG 3.43Å; P211-R215 WeakPolarHBondContact O-CG 3.34Å; P211-R215 PolarHBondContact O-N 3.42Å; R215-K217 WeakPolarHBondContact O-CG 3.32Å; R215-K217 PolarHBondContact O-N 3.46Å; R215-H236 WeakPolarHBondContact CD-O 3.25Å; R215-E239 IonicContact NH1-OE2 2.63Å; R215-E239 PolarHBondContact NH1-OE2 3.45Å; R215-E239 IonicContact NH2-OE1 2.9Å; R215-E239 IonicContact NH2-OE2 3.09Å
216	K	77.8	Confident	86.6	Confident	103 Å²	103	64.4 Å²	64.4	45%	0.448	33%	0.334	S	S	.	.			trans	-51.9	110.2	177.4	-76.9	152.5	-178.4	148.1	0	113	E210 Q214 T218	E210-K216 WeakPolarHBondContact OE1-CE 3.21Å; E210-K216 IonicContact OE1-NZ 3.23Å; E210-K216 PolarHBondContact OE1-NZ 3.05Å; E210-K216 WeakPolarHBondContact OE2-CD 3.37Å; E210-K216 WeakPolarHBondContact OE2-CG 3.41Å; E210-K216 PolarHBondContact OE2-N 3.42Å; E210-K216 IonicContact OE2-NZ 2.72Å; Q214-K216 PolarHBondContact O-N 3.27Å; Q214-K216 VanDerWaalsContact O-N 3.16Å; K216-T218 PolarHBondContact O-N 3.02Å
217	K	85	Confident	86.8	Confident	125 Å²	125	63.7 Å²	63.7	54%	0.543	33%	0.328	S	S	.	.			trans	-77.6	21.7	-179.1	-54.7	-176.4	-178	174.5	0	114.1	R215 R233	R215-K217 WeakPolarHBondContact O-CG 3.32Å; R215-K217 PolarHBondContact O-N 3.46Å; K217-R233 HydrophobicContact CB-CB 4.43Å; K217-R233 WeakPolarHBondContact CB-O 3.35Å; K217-R233 WeakPolarHBondContact CD-O 3.32Å; K217-R233 VanDerWaalsContact CG-O 3.29Å; K217-R233 WeakPolarHBondContact CG-O 3.4Å
218	T	84.6	Confident	87.1	Confident	91 Å²	91	63.2 Å²	63.2	56%	0.558	32%	0.324	S	S	*	.			trans	-91.3	114.7	-177.8	-51.1	0	0	0	0	110.1	K216 C220 H236	K216-T218 PolarHBondContact O-N 3.02Å; T218-C220 PolarHBondContact O-N 3.08Å; T218-C220 VanDerWaalsContact O-N 3.15Å; T218-C220 PolarHBondContact O-SG 2.89Å; T218-C220 VanDerWaalsContact O-SG 3.36Å; T218-H236 PolarHBondContact O-CE1 2.85Å
219	I	88.1	Confident	87.3	Confident	63 Å²	63	56 Å²	56	32%	0.323	29%	0.293	S	S	.	.			trans	-60.1	118.4	174.3	-54	-179.9	0	0	0	108.8	L226 V230 L231 R233	I219-L226 HydrophobicContact CG2-CD1 4.04Å; I219-V230 HydrophobicContact CG2-CG1 4.32Å; I219-L231 HydrophobicContact CG2-CD2 4.26Å; I219-R233 HydrophobicContact CD1-CG 4.4Å; I219-R233 HydrophobicContact CG1-CG 4.42Å
220	C	86.2	Confident	87.6	Confident	23 Å²	23	53.1 Å²	53.1	16%	0.155	28%	0.278	C	S	.	.			trans	-154.6	154.3	176.9	56.4	0	0	0	0	110.3	L205 T218 L226 H236	L205-C220 HydrophobicContact CD2-CB 4.31Å; T218-C220 PolarHBondContact O-N 3.08Å; T218-C220 VanDerWaalsContact O-N 3.15Å; T218-C220 PolarHBondContact O-SG 2.89Å; T218-C220 VanDerWaalsContact O-SG 3.36Å; C220-L226 VanDerWaalsContact O-CD2 3.25Å; C220-L226 WeakPolarHBondContact O-CD2 3.43Å; C220-H236 PolarHBondContact O-NE2 2.94Å; C220-H236 PolarHBondContact SG-CE1 2.67Å
221	G	86.2	Confident	87.9	Confident	21 Å²	21	51.5 Å²	51.5	22%	0.216	27%	0.271	C	S	.	.	S	Bend	trans	113.7	172.5	-166.4	0	0	0	0	0	111.6	R183	R183-G221 VanDerWaalsContact O-CA 3.29Å; R183-G221 WeakPolarHBondContact O-CA 3.42Å
222	T	87.3	Confident	88.3	Confident	41 Å²	41	51.7 Å²	51.7	25%	0.252	27%	0.268	S	S	.	.			trans	-85.5	128.4	-178.3	-58.4	0	0	0	0	111.4	D184 K186 N224 Y225 L226	D184-T222 WeakPolarHBondContact OD1-CB 3.44Å; D184-T222 PolarHBondContact OD1-N 3.2Å; D184-T222 PolarHBondContact OD1-OG1 3.48Å; K186-T222 HydrophobicContact CD-CG2 4.24Å; K186-T222 WeakPolarHBondContact CD-OG1 3.44Å; K186-T222 PolarHBondContact NZ-OG1 3.27Å; T222-N224 PolarHBondContact O-N 2.9Å; T222-Y225 HydrophobicContact CG2-CD2 3.98Å; T222-Y225 HydrophobicContact CG2-CE2 4.26Å; T222-Y225 PolarHBondContact O-N 2.93Å; T222-L226 PolarHBondContact O-N 3.06Å
223	P	87.1	Confident	88.8	Confident	40 Å²	40	55 Å²	55	26%	0.26	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-43.1	-54.4	-166.9	-36.7	37.7	0	0	0	117.6	Y225 L226 L264 Y268	P223-Y225 PolarHBondContact O-N 2.89Å; P223-L226 WeakPolarHBondContact O-CB 3.5Å; P223-L226 PolarHBondContact O-N 3.48Å; P223-L264 HydrophobicContact CB-CD1 3.65Å; P223-L264 HydrophobicContact CG-CD1 3.89Å; P223-Y268 HydrophobicContact CB-CE1 4.08Å
224	N	90.2	Very high	89.4	Confident	28 Å²	28	53.4 Å²	53.4	15%	0.15	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-66.9	-4.8	-175.3	-57.6	-3.4	0	0	0	114.3	T222 C247 P257 E260	T222-N224 PolarHBondContact O-N 2.9Å; N224-C247 PolarHBondContact O-SG 3.3Å; N224-P257 HydrophobicContact CB-CB 3.94Å; N224-P257 HydrophobicContact CB-CG 4.31Å; N224-E260 PolarHBondContact ND2-OE1 3.4Å
225	Y	95.5	Very high	89.7	Confident	26 Å²	26	47 Å²	47	10%	0.102	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-117.8	-0.4	179.9	-53.9	-93.4	0	0	0	112.3	K186 T222 P223 S244 C247 V248	K186-Y225 HydrophobicContact CB-CD1 4.29Å; K186-Y225 HydrophobicContact CB-CD2 3.96Å; K186-Y225 HydrophobicContact CB-CE1 4.15Å; K186-Y225 HydrophobicContact CB-CE2 3.82Å; K186-Y225 HydrophobicContact CB-CG 4.2Å; T222-Y225 HydrophobicContact CG2-CD2 3.98Å; T222-Y225 HydrophobicContact CG2-CE2 4.26Å; T222-Y225 PolarHBondContact O-N 2.93Å; P223-Y225 PolarHBondContact O-N 2.89Å; Y225-S244 PolarHBondContact O-OG 3.23Å; Y225-C247 HydrophobicContact CD1-CB 3.77Å; Y225-C247 HydrophobicContact CE1-CB 4.34Å; Y225-V248 HydrophobicContact CD1-CG2 3.91Å; Y225-V248 HydrophobicContact CE1-CG2 3.71Å
226	L	96	Very high	90.1	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.042	23%	0.229	C	C	.	.			trans	-70.9	140.8	178.7	-66.4	179.9	0	0	0	111.2	I219 C220 T222 P223 V230 L231 W243 Y268 I271	I219-L226 HydrophobicContact CG2-CD1 4.04Å; C220-L226 VanDerWaalsContact O-CD2 3.25Å; C220-L226 WeakPolarHBondContact O-CD2 3.43Å; T222-L226 PolarHBondContact O-N 3.06Å; P223-L226 WeakPolarHBondContact O-CB 3.5Å; P223-L226 PolarHBondContact O-N 3.48Å; L226-V230 HydrophobicContact CD2-CG1 4.34Å; L226-L231 HydrophobicContact CB-CD2 4.14Å; L226-L231 HydrophobicContact CB-CG 4.27Å; L226-L231 HydrophobicContact CD1-CD2 3.67Å; L226-W243 PolarHBondContact O-NE1 2.82Å; L226-Y268 HydrophobicContact CD1-CE1 4.09Å; L226-I271 WeakPolarHBondContact O-CG2 3.36Å
227	A	96.8	Very high	90.8	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	21%	0.208	C	C	.	.			trans	-89.4	153.6	-179.5	0	0	0	0	0	112.7	E229 V230 L231 W243	A227-E229 VanDerWaalsContact C-N 3.31Å; A227-E229 VanDerWaalsContact CB-CD 3.44Å; A227-E229 WeakPolarHBondContact CB-OE1 3.42Å; A227-E229 VanDerWaalsContact CB-OE2 3.3Å; A227-E229 WeakPolarHBondContact CB-OE2 3.4Å; A227-E229 PolarHBondContact O-N 3.4Å; A227-V230 HydrophobicContact CB-CG2 4.26Å; A227-V230 WeakPolarHBondContact O-CB 3.28Å; A227-V230 PolarHBondContact O-N 3.06Å; A227-V230 VanDerWaalsContact O-N 3.09Å; A227-L231 PolarHBondContact O-N 2.94Å; A227-L231 VanDerWaalsContact O-N 3.14Å; A227-W243 VanDerWaalsContact CA-CD1 3.45Å; A227-W243 HydrophobicContact CB-CB 3.81Å; A227-W243 HydrophobicContact CB-CD2 4.25Å; A227-W243 HydrophobicContact CB-CG 3.62Å
228	P	96.9	Very high	91.3	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-54.3	-42.9	-178.4	-25.6	33.1	0	0	0	113.5	V230 L231 N232 W243 I271 V274	P228-V230 VanDerWaalsContact C-N 3.31Å; P228-V230 PolarHBondContact O-N 3.36Å; P228-L231 PolarHBondContact O-N 2.84Å; P228-N232 WeakPolarHBondContact O-CB 3.48Å; P228-N232 PolarHBondContact O-N 3.4Å; P228-N232 PolarHBondContact O-ND2 2.87Å; P228-W243 HydrophobicContact CG-CE3 4.32Å; P228-W243 HydrophobicContact CG-CH2 3.7Å; P228-W243 HydrophobicContact CG-CZ2 4.01Å; P228-W243 HydrophobicContact CG-CZ3 3.87Å; P228-I271 HydrophobicContact CG-CG2 4.15Å; P228-V274 HydrophobicContact CG-CG2 4.14Å
229	E	95.3	Very high	91.9	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-34.7	179.5	70.3	-79.6	-171.5	0	0	112.5	A227 N232 R233 Q234 S240 P298 R301	A227-E229 VanDerWaalsContact C-N 3.31Å; A227-E229 VanDerWaalsContact CB-CD 3.44Å; A227-E229 WeakPolarHBondContact CB-OE1 3.42Å; A227-E229 VanDerWaalsContact CB-OE2 3.3Å; A227-E229 WeakPolarHBondContact CB-OE2 3.4Å; A227-E229 PolarHBondContact O-N 3.4Å; E229-N232 CarbonylContact O-C 3.58Å; E229-N232 PolarHBondContact O-N 3.48Å; E229-R233 PolarHBondContact O-N 3.45Å; E229-R233 VanDerWaalsContact O-N 3.11Å; E229-Q234 VanDerWaalsContact CA-OE1 3.31Å; E229-Q234 HydrophobicContact CB-CB 4.11Å; E229-Q234 VanDerWaalsContact CB-OE1 3.25Å; E229-Q234 WeakPolarHBondContact O-CB 3.39Å; E229-Q234 PolarHBondContact O-N 2.75Å; E229-S240 VanDerWaalsContact OE1-CA 3.3Å; E229-S240 WeakPolarHBondContact OE1-CA 3.19Å; E229-S240 VanDerWaalsContact OE1-CB 3.3Å; E229-S240 WeakPolarHBondContact OE1-CB 3.39Å; E229-S240 PolarHBondContact OE1-OG 2.97Å; E229-P298 HydrophobicContact CB-CG 3.98Å; E229-P298 HydrophobicContact CG-CG 3.92Å; E229-R301 VanDerWaalsContact CD-NH1 3.33Å; E229-R301 IonicContact OE1-CZ 2.87Å; E229-R301 IonicContact OE1-NH1 3.81Å; E229-R301 PolarHBondContact OE1-NH1 3.15Å; E229-R301 IonicContact OE1-NH2 2.68Å; E229-R301 IonicContact OE2-CZ 3.85Å; E229-R301 IonicContact OE2-NH1 2.6Å; E229-R301 PolarHBondContact OE2-NH1 2.94Å; E229-R301 IonicContact OE2-NH2 3.73Å; E229-R301 PolarHBondContact OE2-NH2 3.11Å
230	V	94.7	Very high	92.3	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.024	16%	0.162	C	C	.	.	H	α-helix	trans	-68.1	-47.3	175.7	177.1	0	0	0	0	110	I219 L226 A227 P228 N232 R233 H236	I219-V230 HydrophobicContact CG2-CG1 4.32Å; L226-V230 HydrophobicContact CD2-CG1 4.34Å; A227-V230 HydrophobicContact CB-CG2 4.26Å; A227-V230 WeakPolarHBondContact O-CB 3.28Å; A227-V230 PolarHBondContact O-N 3.06Å; A227-V230 VanDerWaalsContact O-N 3.09Å; P228-V230 VanDerWaalsContact C-N 3.31Å; P228-V230 PolarHBondContact O-N 3.36Å; V230-N232 PolarHBondContact O-N 3.35Å; V230-R233 PolarHBondContact O-N 2.92Å; V230-H236 VanDerWaalsContact CG1-CE1 3.49Å; V230-H236 WeakPolarHBondContact CG1-CE1 3.41Å
231	L	94.3	Very high	92.8	Very high	11 Å²	11	30.5 Å²	30.5	6%	0.058	16%	0.155	C	C	.	.	H	α-helix	trans	-67.2	-18.6	175.6	-61.9	-177.8	0	0	0	113.3	I219 L226 A227 P228 Y268 I271 K272	I219-L231 HydrophobicContact CG2-CD2 4.26Å; L226-L231 HydrophobicContact CB-CD2 4.14Å; L226-L231 HydrophobicContact CB-CG 4.27Å; L226-L231 HydrophobicContact CD1-CD2 3.67Å; A227-L231 PolarHBondContact O-N 2.94Å; A227-L231 VanDerWaalsContact O-N 3.14Å; P228-L231 PolarHBondContact O-N 2.84Å; L231-Y268 HydrophobicContact CD1-CD1 3.71Å; L231-Y268 HydrophobicContact CD1-CG 4.07Å; L231-Y268 HydrophobicContact CD2-CD1 3.77Å; L231-Y268 HydrophobicContact CD2-CE1 3.87Å; L231-Y268 HydrophobicContact CD2-CG 4.2Å; L231-Y268 HydrophobicContact CG-CD1 4.43Å; L231-I271 HydrophobicContact CD1-CB 3.76Å; L231-I271 HydrophobicContact CD1-CD1 4.02Å; L231-I271 HydrophobicContact CD1-CG1 4.5Å; L231-I271 HydrophobicContact CD1-CG2 3.51Å; L231-I271 HydrophobicContact CG-CG2 4.47Å; L231-K272 HydrophobicContact CB-CG 4.3Å; L231-K272 HydrophobicContact CD1-CG 4.45Å; L231-K272 WeakPolarHBondContact O-CE 3.26Å; L231-K272 PolarHBondContact O-NZ 3.11Å
232	N	92.7	Very high	93.4	Very high	72 Å²	72	30 Å²	30	39%	0.385	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	7.1	172.5	-68.2	-24.2	0	0	0	113.2	P228 E229 V230 Q234 K272	P228-N232 WeakPolarHBondContact O-CB 3.48Å; P228-N232 PolarHBondContact O-N 3.4Å; P228-N232 PolarHBondContact O-ND2 2.87Å; E229-N232 CarbonylContact O-C 3.58Å; E229-N232 PolarHBondContact O-N 3.48Å; V230-N232 PolarHBondContact O-N 3.35Å; N232-Q234 HydrophobicContact CB-CG 4.33Å; N232-Q234 PolarHBondContact O-N 2.94Å; N232-K272 VanDerWaalsContact OD1-CE 3.26Å; N232-K272 WeakPolarHBondContact OD1-CE 3.3Å; N232-K272 PolarHBondContact OD1-NZ 3.01Å
233	R	90.3	Very high	93.9	Very high	156 Å²	156	28.1 Å²	28.1	59%	0.589	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	25.7	178	-56.6	179.4	176.2	-85.9	6.7	114.5	K217 I219 E229 V230 G235	K217-R233 HydrophobicContact CB-CB 4.43Å; K217-R233 WeakPolarHBondContact CB-O 3.35Å; K217-R233 WeakPolarHBondContact CD-O 3.32Å; K217-R233 VanDerWaalsContact CG-O 3.29Å; K217-R233 WeakPolarHBondContact CG-O 3.4Å; I219-R233 HydrophobicContact CD1-CG 4.4Å; I219-R233 HydrophobicContact CG1-CG 4.42Å; E229-R233 PolarHBondContact O-N 3.45Å; E229-R233 VanDerWaalsContact O-N 3.11Å; V230-R233 PolarHBondContact O-N 2.92Å; R233-G235 PolarHBondContact O-N 3.5Å
234	Q	89.3	Confident	94.5	Very high	117 Å²	117	26.6 Å²	26.6	55%	0.547	13%	0.126	S	C	.	.	S	Bend	trans	-78.2	-8.1	173.5	-65.9	167.8	-29.8	0	0	112.1	E229 N232	E229-Q234 VanDerWaalsContact CA-OE1 3.31Å; E229-Q234 HydrophobicContact CB-CB 4.11Å; E229-Q234 VanDerWaalsContact CB-OE1 3.25Å; E229-Q234 WeakPolarHBondContact O-CB 3.39Å; E229-Q234 PolarHBondContact O-N 2.75Å; N232-Q234 HydrophobicContact CB-CG 4.33Å; N232-Q234 PolarHBondContact O-N 2.94Å
235	G	87.9	Confident	94.9	Very high	3 Å²	3	25.4 Å²	25.4	3%	0.031	12%	0.12	C	C	.	.			trans	97.5	174.8	-179.9	0	0	0	0	0	112.6	R233	R233-G235 PolarHBondContact O-N 3.5Å
236	H	89.5	Confident	95	Very high	10 Å²	10	24.1 Å²	24.1	5%	0.046	12%	0.115	C	C	.	.			trans	-97.3	143	175.1	-63.5	75.5	0	0	0	110.9	L181 R183 R215 T218 C220 V230	L181-H236 HydrophobicContact CD1-CB 4.12Å; R183-H236 HydrophobicContact CG-CB 4.09Å; R215-H236 WeakPolarHBondContact CD-O 3.25Å; T218-H236 PolarHBondContact O-CE1 2.85Å; C220-H236 PolarHBondContact O-NE2 2.94Å; C220-H236 PolarHBondContact SG-CE1 2.67Å; V230-H236 VanDerWaalsContact CG1-CE1 3.49Å; V230-H236 WeakPolarHBondContact CG1-CE1 3.41Å
237	G	92.6	Very high	95.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.113	C	C	.	.			trans	-135.5	-170.9	166.9	0	0	0	0	0	112.5	E239 S240	G237-E239 VanDerWaalsContact C-OE2 3.25Å; G237-E239 WeakPolarHBondContact CA-OE2 3.47Å; G237-E239 PolarHBondContact O-N 2.87Å; G237-S240 PolarHBondContact N-OG 3.32Å; G237-S240 VanDerWaalsContact N-OG 3.08Å; G237-S240 WeakPolarHBondContact O-CB 3.45Å; G237-S240 PolarHBondContact O-N 3.25Å
238	T	95.8	Very high	95.2	Very high	34 Å²	34	23.7 Å²	23.7	21%	0.209	11%	0.112	C	C	.	.	H	α-helix	trans	-64.4	-29.2	175.6	51.7	0	0	0	0	111.1	H176 L181 L209 S240 D241 I242	H176-T238 HydrophobicContact CB-CG2 4.06Å; H176-T238 PolarHBondContact CE1-O 2.99Å; L181-T238 HydrophobicContact CD2-CG2 3.66Å; L209-T238 HydrophobicContact CD2-CG2 4.35Å; T238-S240 VanDerWaalsContact C-N 3.27Å; T238-S240 PolarHBondContact O-N 2.93Å; T238-D241 PolarHBondContact O-N 3.02Å; T238-I242 WeakPolarHBondContact O-CG1 3.42Å; T238-I242 PolarHBondContact O-N 3.24Å
239	E	96.6	Very high	95.3	Very high	50 Å²	50	23.5 Å²	23.5	23%	0.234	11%	0.111	C	C	.	.	H	α-helix	trans	-66.7	-28.8	177.2	-44.2	83.4	177.7	0	0	111.8	R215 G237 I242 W243 P298 R301	R215-E239 IonicContact NH1-OE2 2.63Å; R215-E239 PolarHBondContact NH1-OE2 3.45Å; R215-E239 IonicContact NH2-OE1 2.9Å; R215-E239 IonicContact NH2-OE2 3.09Å; G237-E239 VanDerWaalsContact C-OE2 3.25Å; G237-E239 WeakPolarHBondContact CA-OE2 3.47Å; G237-E239 PolarHBondContact O-N 2.87Å; E239-I242 PolarHBondContact O-N 2.83Å; E239-W243 PolarHBondContact O-N 2.9Å; E239-P298 HydrophobicContact CB-CB 3.65Å; E239-P298 HydrophobicContact CG-CB 3.97Å; E239-R301 PolarHBondContact O-NH1 3.22Å
240	S	96.6	Very high	95.5	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.028	11%	0.113	C	C	.	.	H	α-helix	trans	-74.6	-38.5	175.9	-46.4	0	0	0	0	111.6	E229 G237 T238 I242 W243 S244	E229-S240 VanDerWaalsContact OE1-CA 3.3Å; E229-S240 WeakPolarHBondContact OE1-CA 3.19Å; E229-S240 VanDerWaalsContact OE1-CB 3.3Å; E229-S240 WeakPolarHBondContact OE1-CB 3.39Å; E229-S240 PolarHBondContact OE1-OG 2.97Å; G237-S240 PolarHBondContact N-OG 3.32Å; G237-S240 VanDerWaalsContact N-OG 3.08Å; G237-S240 WeakPolarHBondContact O-CB 3.45Å; G237-S240 PolarHBondContact O-N 3.25Å; T238-S240 VanDerWaalsContact C-N 3.27Å; T238-S240 PolarHBondContact O-N 2.93Å; S240-I242 VanDerWaalsContact C-N 3.32Å; S240-W243 PolarHBondContact O-N 3.01Å; S240-S244 PolarHBondContact O-N 3.11Å; S240-S244 VanDerWaalsContact O-N 3.12Å; S240-S244 PolarHBondContact O-OG 3.2Å
241	D	97.8	Very high	95.6	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-64.9	-37.7	170.8	-84.4	-15.5	0	0	0	110.8	L172 H176 H182 R183 L185 T238 S244 L245	L172-D241 HydrophobicContact CD2-CB 4.02Å; H176-D241 IonicContact CD2-OD2 2.8Å; H176-D241 IonicContact CE1-OD2 3.71Å; H176-D241 IonicContact NE2-OD2 3.7Å; H176-D241 PolarHBondContact NE2-OD2 3.47Å; H182-D241 PolarHBondContact N-OD2 3.18Å; R183-D241 PolarHBondContact N-OD1 2.91Å; L185-D241 HydrophobicContact CD1-CB 3.55Å; L185-D241 WeakPolarHBondContact CD1-O 3.39Å; T238-D241 PolarHBondContact O-N 3.02Å; D241-S244 PolarHBondContact O-N 3.41Å; D241-L245 PolarHBondContact O-N 2.9Å
242	I	98.6	Very high	95.8	Very high	12 Å²	12	23.5 Å²	23.5	6%	0.062	11%	0.11	C	C	.	.	H	α-helix	trans	-63.6	-41.2	173.9	-72.2	167.6	0	0	0	111.6	T238 E239 S240 L245 G246 I293 R301 L304 I307	T238-I242 WeakPolarHBondContact O-CG1 3.42Å; T238-I242 PolarHBondContact O-N 3.24Å; E239-I242 PolarHBondContact O-N 2.83Å; S240-I242 VanDerWaalsContact C-N 3.32Å; I242-L245 WeakPolarHBondContact O-CB 3.16Å; I242-L245 PolarHBondContact O-N 3.02Å; I242-G246 PolarHBondContact O-N 3.39Å; I242-I293 HydrophobicContact CG2-CG2 3.93Å; I242-I293 WeakPolarHBondContact O-CG2 3.37Å; I242-R301 HydrophobicContact CG2-CB 4.18Å; I242-L304 HydrophobicContact CD1-CD2 4.42Å; I242-L304 HydrophobicContact CD1-CG 4.18Å; I242-L304 HydrophobicContact CG1-CD2 3.86Å; I242-L304 HydrophobicContact CG1-CG 4.13Å; I242-I307 HydrophobicContact CG2-CD1 4.24Å
243	W	98.6	Very high	96	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.8	-47	173	171.9	-83.8	0	0	0	111.9	L226 A227 P228 E239 S240 L245 G246 C247 F259 I271 V274 L294 Q295	L226-W243 PolarHBondContact O-NE1 2.82Å; A227-W243 VanDerWaalsContact CA-CD1 3.45Å; A227-W243 HydrophobicContact CB-CB 3.81Å; A227-W243 HydrophobicContact CB-CD2 4.25Å; A227-W243 HydrophobicContact CB-CG 3.62Å; P228-W243 HydrophobicContact CG-CE3 4.32Å; P228-W243 HydrophobicContact CG-CH2 3.7Å; P228-W243 HydrophobicContact CG-CZ2 4.01Å; P228-W243 HydrophobicContact CG-CZ3 3.87Å; E239-W243 PolarHBondContact O-N 2.9Å; S240-W243 PolarHBondContact O-N 3.01Å; W243-L245 PolarHBondContact O-N 3.36Å; W243-G246 WeakPolarHBondContact O-CA 3.31Å; W243-G246 PolarHBondContact O-N 2.64Å; W243-C247 PolarHBondContact O-N 3.22Å; W243-F259 AromaticContact CE2-CE2 3.98Å; W243-F259 HydrophobicContact CH2-CE1 4.36Å; W243-F259 AromaticContact CH2-CE2 3.83Å; W243-F259 HydrophobicContact CH2-CE2 3.83Å; W243-F259 AromaticContact CH2-CZ 3.48Å; W243-F259 HydrophobicContact CH2-CZ 3.48Å; W243-F259 VanDerWaalsContact CH2-CZ 3.48Å; W243-F259 HydrophobicContact CZ2-CD2 4.11Å; W243-F259 HydrophobicContact CZ2-CE1 4.35Å; W243-F259 AromaticContact CZ2-CE2 3.23Å; W243-F259 HydrophobicContact CZ2-CE2 3.23Å; W243-F259 AromaticContact CZ2-CZ 3.39Å; W243-F259 HydrophobicContact CZ2-CZ 3.39Å; W243-I271 HydrophobicContact CZ2-CG2 3.99Å; W243-V274 HydrophobicContact CH2-CB 4.43Å; W243-V274 HydrophobicContact CH2-CG1 3.95Å; W243-V274 HydrophobicContact CH2-CG2 3.9Å; W243-V274 HydrophobicContact CZ3-CG1 4.15Å; W243-V274 HydrophobicContact CZ3-CG2 4.18Å; W243-L294 HydrophobicContact CD2-CD2 3.69Å; W243-L294 HydrophobicContact CE3-CB 4.37Å; W243-L294 HydrophobicContact CE3-CD2 3.76Å; W243-L294 HydrophobicContact CG-CD2 4.22Å; W243-L294 HydrophobicContact CH2-CD2 4.32Å; W243-L294 HydrophobicContact CZ2-CD2 4.26Å; W243-L294 HydrophobicContact CZ3-CB 4.07Å; W243-L294 HydrophobicContact CZ3-CD2 4.08Å; W243-Q295 WeakPolarHBondContact CZ3-O 3.49Å
244	S	98.4	Very high	96.1	Very high	9 Å²	9	14.9 Å²	14.9	6%	0.063	8%	0.076	C	C	.	.	H	α-helix	trans	-60.6	-34.4	176.8	-55.2	0	0	0	0	112.2	Y225 S240 D241 G246 C247 V248	Y225-S244 PolarHBondContact O-OG 3.23Å; S240-S244 PolarHBondContact O-N 3.11Å; S240-S244 VanDerWaalsContact O-N 3.12Å; S240-S244 PolarHBondContact O-OG 3.2Å; D241-S244 PolarHBondContact O-N 3.41Å; S244-G246 VanDerWaalsContact C-N 3.34Å; S244-C247 PolarHBondContact O-N 2.87Å; S244-V248 WeakPolarHBondContact O-CB 3.5Å; S244-V248 VanDerWaalsContact O-CG2 3.23Å; S244-V248 WeakPolarHBondContact O-CG2 3.39Å; S244-V248 PolarHBondContact O-N 3.37Å
245	L	98.6	Very high	96.2	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-63.1	-36.9	171	-179	66.2	0	0	0	112.5	L165 I168 I169 L172 D241 I242 W243 V248 M249 L304 I307	L165-L245 HydrophobicContact CD2-CD1 3.58Å; L165-L245 HydrophobicContact CD2-CG 4.39Å; I168-L245 HydrophobicContact CB-CD1 4.29Å; I168-L245 HydrophobicContact CG2-CD1 3.48Å; I168-L245 VanDerWaalsContact CG2-CD1 3.48Å; I169-L245 HydrophobicContact CD1-CD2 4.31Å; I169-L245 HydrophobicContact CG1-CD2 3.67Å; L172-L245 HydrophobicContact CD1-CD2 4.44Å; D241-L245 PolarHBondContact O-N 2.9Å; I242-L245 WeakPolarHBondContact O-CB 3.16Å; I242-L245 PolarHBondContact O-N 3.02Å; W243-L245 PolarHBondContact O-N 3.36Å; L245-V248 WeakPolarHBondContact O-CB 3.09Å; L245-V248 PolarHBondContact O-N 2.96Å; L245-M249 PolarHBondContact O-N 3.39Å; L245-L304 HydrophobicContact CD2-CD2 3.93Å; L245-I307 HydrophobicContact CD2-CD1 4.22Å
246	G	98.6	Very high	96.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.5	-47	172.6	0	0	0	0	0	112.6	I242 W243 S244 V248 M249 Y250 I293	I242-G246 PolarHBondContact O-N 3.39Å; W243-G246 WeakPolarHBondContact O-CA 3.31Å; W243-G246 PolarHBondContact O-N 2.64Å; S244-G246 VanDerWaalsContact C-N 3.34Å; G246-V248 VanDerWaalsContact C-N 3.28Å; G246-V248 PolarHBondContact O-N 3.04Å; G246-M249 PolarHBondContact O-N 3.04Å; G246-Y250 PolarHBondContact O-N 3.12Å; G246-I293 VanDerWaalsContact CA-CG2 3.44Å
247	C	98.6	Very high	96.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.2	-42.3	172.8	-70	0	0	0	0	111.5	N224 Y225 W243 S244 Y250 T251 P258	N224-C247 PolarHBondContact O-SG 3.3Å; Y225-C247 HydrophobicContact CD1-CB 3.77Å; Y225-C247 HydrophobicContact CE1-CB 4.34Å; W243-C247 PolarHBondContact O-N 3.22Å; S244-C247 PolarHBondContact O-N 2.87Å; C247-Y250 PolarHBondContact O-N 3.06Å; C247-T251 PolarHBondContact O-N 3.23Å; C247-T251 PolarHBondContact O-OG1 2.93Å; C247-P258 HydrophobicContact CB-CG 4.16Å
248	V	98.5	Very high	96.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.1	-45	176.6	161.1	0	0	0	0	112.3	L165 I168 L187 F190 Y225 S244 L245 G246 Y250 T251 L252	L165-V248 HydrophobicContact CD2-CG1 4.48Å; I168-V248 HydrophobicContact CD1-CG1 4.3Å; L187-V248 HydrophobicContact CD2-CG1 3.97Å; L187-V248 HydrophobicContact CD2-CG2 4.39Å; F190-V248 HydrophobicContact CD2-CG1 4.34Å; F190-V248 HydrophobicContact CE2-CB 4.15Å; F190-V248 HydrophobicContact CE2-CG1 3.54Å; F190-V248 HydrophobicContact CE2-CG2 3.53Å; F190-V248 HydrophobicContact CZ-CG1 4.26Å; F190-V248 HydrophobicContact CZ-CG2 3.95Å; Y225-V248 HydrophobicContact CD1-CG2 3.91Å; Y225-V248 HydrophobicContact CE1-CG2 3.71Å; S244-V248 WeakPolarHBondContact O-CB 3.5Å; S244-V248 VanDerWaalsContact O-CG2 3.23Å; S244-V248 WeakPolarHBondContact O-CG2 3.39Å; S244-V248 PolarHBondContact O-N 3.37Å; L245-V248 WeakPolarHBondContact O-CB 3.09Å; L245-V248 PolarHBondContact O-N 2.96Å; G246-V248 VanDerWaalsContact C-N 3.28Å; G246-V248 PolarHBondContact O-N 3.04Å; V248-Y250 VanDerWaalsContact C-N 3.35Å; V248-T251 PolarHBondContact O-N 3.47Å; V248-L252 HydrophobicContact CG1-CD1 4.26Å; V248-L252 WeakPolarHBondContact O-CG 3.41Å; V248-L252 PolarHBondContact O-N 3.3Å; V248-L252 VanDerWaalsContact O-N 3.13Å
249	M	98.5	Very high	96.7	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-59.7	-46.8	175.1	176.4	171.9	176.2	0	0	110.9	V161 L165 L245 G246 L252 M253 A286 L289 I290 F312	V161-M249 HydrophobicContact CG1-CG 4.32Å; L165-M249 HydrophobicContact CD1-CB 3.97Å; L165-M249 HydrophobicContact CD1-CG 3.81Å; L165-M249 HydrophobicContact CD1-SD 3.84Å; L165-M249 HydrophobicContact CD2-CB 4.29Å; L245-M249 PolarHBondContact O-N 3.39Å; G246-M249 PolarHBondContact O-N 3.04Å; M249-L252 PolarHBondContact O-N 3Å; M249-M253 HydrophobicContact CE-SD 3.59Å; M249-M253 VanDerWaalsContact CE-SD 3.59Å; M249-M253 HydrophobicContact CG-SD 4.17Å; M249-M253 WeakPolarHBondContact O-CG 3.23Å; M249-M253 PolarHBondContact O-N 2.77Å; M249-A286 HydrophobicContact CE-CB 4.06Å; M249-L289 HydrophobicContact CE-CB 4.17Å; M249-L289 HydrophobicContact CE-CD2 3.91Å; M249-L289 HydrophobicContact CE-CG 4.24Å; M249-L289 HydrophobicContact SD-CB 4.39Å; M249-L289 HydrophobicContact SD-CD2 3.73Å; M249-L289 HydrophobicContact SD-CG 3.9Å; M249-I290 HydrophobicContact CE-CD1 4.21Å; M249-I290 HydrophobicContact CE-CG1 3.89Å; M249-I290 HydrophobicContact CG-CD1 4.3Å; M249-I290 HydrophobicContact CG-CG1 3.97Å; M249-I290 HydrophobicContact SD-CG1 3.85Å; M249-F312 HydrophobicContact CE-CD1 4.13Å; M249-F312 HydrophobicContact CE-CD2 4.26Å; M249-F312 HydrophobicContact CE-CE1 3.84Å; M249-F312 HydrophobicContact CE-CE2 3.98Å; M249-F312 HydrophobicContact CE-CG 4.33Å; M249-F312 HydrophobicContact CE-CZ 3.77Å
250	Y	98.6	Very high	96.4	Very high	21 Å²	21	14.7 Å²	14.7	8%	0.082	8%	0.077	C	C	.	.	H	α-helix	trans	-60	-51.7	177.7	-175.5	-80.6	0	0	0	111.5	G246 C247 V248 L252 M253 C254 N256 P258 Y276 N277 L278 I290	G246-Y250 PolarHBondContact O-N 3.12Å; C247-Y250 PolarHBondContact O-N 3.06Å; V248-Y250 VanDerWaalsContact C-N 3.35Å; Y250-L252 VanDerWaalsContact C-N 3.28Å; Y250-L252 PolarHBondContact O-N 3.18Å; Y250-M253 PolarHBondContact O-N 3.34Å; Y250-C254 HydrophobicContact CD1-CB 3.8Å; Y250-C254 HydrophobicContact CD2-CB 4.47Å; Y250-C254 HydrophobicContact CE1-CB 3.46Å; Y250-C254 VanDerWaalsContact CE1-CB 3.46Å; Y250-C254 HydrophobicContact CE2-CB 4.18Å; Y250-C254 WeakPolarHBondContact CE2-SG 3.31Å; Y250-C254 HydrophobicContact CG-CB 4.31Å; Y250-C254 VanDerWaalsContact CZ-SG 3.57Å; Y250-C254 WeakPolarHBondContact O-CB 3.31Å; Y250-C254 PolarHBondContact O-N 3.02Å; Y250-N256 WeakPolarHBondContact CD1-O 3.47Å; Y250-N256 WeakPolarHBondContact CE1-O 3.32Å; Y250-P258 HydrophobicContact CD1-CB 3.64Å; Y250-P258 VanDerWaalsContact CD1-CD 3.48Å; Y250-P258 HydrophobicContact CD1-CG 3.98Å; Y250-P258 HydrophobicContact CD2-CB 4.06Å; Y250-P258 VanDerWaalsContact CE1-CA 3.44Å; Y250-P258 HydrophobicContact CE1-CB 3.88Å; Y250-P258 HydrophobicContact CE2-CB 4.27Å; Y250-P258 HydrophobicContact CG-CB 3.73Å; Y250-P258 HydrophobicContact CG-CG 4.04Å; Y250-Y276 HydrophobicContact CD2-CD2 4.39Å; Y250-Y276 HydrophobicContact CE2-CD2 4.14Å; Y250-N277 VanDerWaalsContact CE2-O 3.25Å; Y250-N277 WeakPolarHBondContact CE2-O 3.34Å; Y250-N277 PolarHBondContact OH-O 2.95Å; Y250-N277 VanDerWaalsContact OH-O 3.07Å; Y250-L278 HydrophobicContact CD2-CD2 4.38Å; Y250-L278 HydrophobicContact CE2-CD2 4.29Å; Y250-I290 HydrophobicContact CD2-CD1 4.3Å; Y250-I290 HydrophobicContact CD2-CG2 4.2Å
251	T	97.7	Very high	95.9	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.091	C	C	.	.	H	α-helix	trans	-59.9	-36.2	-178.5	-49.7	0	0	0	0	112.9	L187 C247 V248 M253 G255 N256 P257	L187-T251 HydrophobicContact CD1-CG2 3.74Å; C247-T251 PolarHBondContact O-N 3.23Å; C247-T251 PolarHBondContact O-OG1 2.93Å; V248-T251 PolarHBondContact O-N 3.47Å; T251-M253 VanDerWaalsContact C-N 3.33Å; T251-M253 PolarHBondContact O-N 3.12Å; T251-G255 WeakPolarHBondContact O-CA 3.44Å; T251-G255 PolarHBondContact O-N 3.37Å; T251-N256 WeakPolarHBondContact CA-O 3.25Å; T251-P257 HydrophobicContact CG2-CG 4.35Å; T251-P257 WeakPolarHBondContact OG1-CA 3.23Å
252	L	97.6	Very high	95.1	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-70.2	-26.8	177.7	-69.7	177.9	0	0	0	113.4	L146 L156 V161 L187 V248 M249 Y250	L146-L252 HydrophobicContact CD1-CD1 4.23Å; L156-L252 HydrophobicContact CD1-CD2 3.88Å; L156-L252 HydrophobicContact CG-CD2 4.38Å; L156-L252 PolarHBondContact N-O 3.49Å; V161-L252 HydrophobicContact CG2-CB 3.94Å; L187-L252 HydrophobicContact CD1-CD2 4.13Å; L187-L252 HydrophobicContact CD2-CD1 4.31Å; L187-L252 HydrophobicContact CD2-CD2 3.68Å; L187-L252 HydrophobicContact CD2-CG 3.85Å; V248-L252 HydrophobicContact CG1-CD1 4.26Å; V248-L252 WeakPolarHBondContact O-CG 3.41Å; V248-L252 PolarHBondContact O-N 3.3Å; V248-L252 VanDerWaalsContact O-N 3.13Å; M249-L252 PolarHBondContact O-N 3Å; Y250-L252 VanDerWaalsContact C-N 3.28Å; Y250-L252 PolarHBondContact O-N 3.18Å
253	M	96.7	Very high	94.5	Very high	22 Å²	22	27.3 Å²	27.3	11%	0.108	15%	0.145	C	C	.	.	H	α-helix	trans	-97.3	-38.5	-178.5	-63.1	-172.5	78.2	0	0	113.1	D158 V161 M249 Y250 T251 L282 A286 F312	D158-M253 WeakPolarHBondContact OD1-CE 3.38Å; V161-M253 HydrophobicContact CB-CG 4.35Å; V161-M253 HydrophobicContact CG1-CG 4.03Å; V161-M253 HydrophobicContact CG1-SD 4.1Å; V161-M253 HydrophobicContact CG2-CG 3.84Å; M249-M253 HydrophobicContact CE-SD 3.59Å; M249-M253 VanDerWaalsContact CE-SD 3.59Å; M249-M253 HydrophobicContact CG-SD 4.17Å; M249-M253 WeakPolarHBondContact O-CG 3.23Å; M249-M253 PolarHBondContact O-N 2.77Å; Y250-M253 PolarHBondContact O-N 3.34Å; T251-M253 VanDerWaalsContact C-N 3.33Å; T251-M253 PolarHBondContact O-N 3.12Å; M253-L282 HydrophobicContact CB-CD2 3.69Å; M253-L282 HydrophobicContact CE-CD2 4.03Å; M253-L282 HydrophobicContact SD-CD2 4.41Å; M253-A286 HydrophobicContact CE-CB 3.58Å; M253-A286 HydrophobicContact SD-CB 3.93Å; M253-F312 HydrophobicContact CE-CE2 4.11Å; M253-F312 HydrophobicContact CE-CZ 4.42Å; M253-F312 HydrophobicContact SD-CE2 4.35Å; M253-F312 HydrophobicContact SD-CZ 4.26Å
254	C	93.8	Very high	93.9	Very high	24 Å²	24	31.3 Å²	31.3	16%	0.162	17%	0.167	C	C	.	.	H	α-helix	trans	-98.6	1.1	-173.3	-56.9	0	0	0	0	113.8	Y250 N256	Y250-C254 HydrophobicContact CD1-CB 3.8Å; Y250-C254 HydrophobicContact CD2-CB 4.47Å; Y250-C254 HydrophobicContact CE1-CB 3.46Å; Y250-C254 VanDerWaalsContact CE1-CB 3.46Å; Y250-C254 HydrophobicContact CE2-CB 4.18Å; Y250-C254 WeakPolarHBondContact CE2-SG 3.31Å; Y250-C254 HydrophobicContact CG-CB 4.31Å; Y250-C254 VanDerWaalsContact CZ-SG 3.57Å; Y250-C254 WeakPolarHBondContact O-CB 3.31Å; Y250-C254 PolarHBondContact O-N 3.02Å; C254-N256 PolarHBondContact O-N 2.99Å
255	G	90.3	Very high	93.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	75.5	-30.3	-179.3	0	0	0	0	0	114.6	W150 H154 T251	W150-G255 VanDerWaalsContact CE2-O 3.26Å; W150-G255 VanDerWaalsContact CZ2-O 3.22Å; W150-G255 WeakPolarHBondContact CZ2-O 3.43Å; W150-G255 PolarHBondContact NE1-O 2.88Å; H154-G255 VanDerWaalsContact CE1-C 3.43Å; H154-G255 PolarHBondContact CE1-O 3.4Å; H154-G255 PolarHBondContact ND1-O 3.02Å; H154-G255 WeakPolarHBondContact O-CA 3.49Å; T251-G255 WeakPolarHBondContact O-CA 3.44Å; T251-G255 PolarHBondContact O-N 3.37Å
256	N	90.3	Very high	93.3	Very high	80 Å²	80	41.9 Å²	41.9	43%	0.428	21%	0.212	S	C	.	.	S	Bend	trans	-126.7	157.5	-175.1	-59.8	-79.5	0	0	0	111	H154 Y250 T251 C254	H154-N256 PolarHBondContact NE2-ND2 3.35Å; Y250-N256 WeakPolarHBondContact CD1-O 3.47Å; Y250-N256 WeakPolarHBondContact CE1-O 3.32Å; T251-N256 WeakPolarHBondContact CA-O 3.25Å; C254-N256 PolarHBondContact O-N 2.99Å
257	P	94.5	Very high	93	Very high	13 Å²	13	42.1 Å²	42.1	8%	0.084	21%	0.214	C	C	.	.			trans	-70.8	150.9	178.5	-14.2	30.3	0	0	0	112.6	N224 T251 F259 E260	N224-P257 HydrophobicContact CB-CB 3.94Å; N224-P257 HydrophobicContact CB-CG 4.31Å; T251-P257 HydrophobicContact CG2-CG 4.35Å; T251-P257 WeakPolarHBondContact OG1-CA 3.23Å; P257-F259 VanDerWaalsContact C-N 3.32Å; P257-F259 PolarHBondContact O-N 3.38Å; P257-E260 HydrophobicContact CB-CB 4.06Å; P257-E260 VanDerWaalsContact CD-OE2 3.26Å; P257-E260 WeakPolarHBondContact CD-OE2 3.47Å; P257-E260 HydrophobicContact CG-CB 4.08Å
258	P	96.4	Very high	92.8	Very high	12 Å²	12	45.3 Å²	45.3	8%	0.078	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-26.3	-169.9	21.1	-28.3	0	0	0	115	C247 Y250 Y276 L294	C247-P258 HydrophobicContact CB-CG 4.16Å; Y250-P258 HydrophobicContact CD1-CB 3.64Å; Y250-P258 VanDerWaalsContact CD1-CD 3.48Å; Y250-P258 HydrophobicContact CD1-CG 3.98Å; Y250-P258 HydrophobicContact CD2-CB 4.06Å; Y250-P258 VanDerWaalsContact CE1-CA 3.44Å; Y250-P258 HydrophobicContact CE1-CB 3.88Å; Y250-P258 HydrophobicContact CE2-CB 4.27Å; Y250-P258 HydrophobicContact CG-CB 3.73Å; Y250-P258 HydrophobicContact CG-CG 4.04Å; P258-Y276 HydrophobicContact CB-CD2 4.11Å; P258-Y276 HydrophobicContact CB-CG 4.12Å; P258-Y276 WeakPolarHBondContact O-CB 3.39Å; P258-L294 HydrophobicContact CB-CD1 4.29Å; P258-L294 HydrophobicContact CG-CD1 4.11Å
259	F	96.1	Very high	92.6	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.013	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	11.1	-175.3	-51.6	-76.6	0	0	0	113.5	W243 P257 T261 T267 C270 I271 K275 Y276 L294	W243-F259 AromaticContact CE2-CE2 3.98Å; W243-F259 HydrophobicContact CH2-CE1 4.36Å; W243-F259 AromaticContact CH2-CE2 3.83Å; W243-F259 HydrophobicContact CH2-CE2 3.83Å; W243-F259 AromaticContact CH2-CZ 3.48Å; W243-F259 HydrophobicContact CH2-CZ 3.48Å; W243-F259 VanDerWaalsContact CH2-CZ 3.48Å; W243-F259 HydrophobicContact CZ2-CD2 4.11Å; W243-F259 HydrophobicContact CZ2-CE1 4.35Å; W243-F259 AromaticContact CZ2-CE2 3.23Å; W243-F259 HydrophobicContact CZ2-CE2 3.23Å; W243-F259 AromaticContact CZ2-CZ 3.39Å; W243-F259 HydrophobicContact CZ2-CZ 3.39Å; P257-F259 VanDerWaalsContact C-N 3.32Å; P257-F259 PolarHBondContact O-N 3.38Å; F259-T261 PolarHBondContact O-N 3.36Å; F259-T267 WeakPolarHBondContact O-CG2 3.42Å; F259-C270 HydrophobicContact CB-CB 4.37Å; F259-C270 HydrophobicContact CD1-CB 4.18Å; F259-I271 HydrophobicContact CB-CD1 4.33Å; F259-I271 HydrophobicContact CB-CG1 3.58Å; F259-I271 HydrophobicContact CD1-CG1 4.18Å; F259-I271 HydrophobicContact CD2-CG1 3.79Å; F259-I271 HydrophobicContact CG-CG1 3.57Å; F259-K275 WeakPolarHBondContact CD1-O 3.32Å; F259-Y276 AromaticContact CE1-CD1 3.59Å; F259-Y276 HydrophobicContact CE1-CD1 3.59Å; F259-Y276 HydrophobicContact CE1-CG 4.05Å; F259-Y276 AromaticContact CZ-CD1 3.66Å; F259-Y276 HydrophobicContact CZ-CD1 3.66Å; F259-Y276 HydrophobicContact CZ-CE1 4.29Å; F259-Y276 HydrophobicContact CZ-CG 4.19Å; F259-L294 HydrophobicContact CE2-CD1 4.29Å; F259-L294 HydrophobicContact CE2-CD2 4.44Å; F259-L294 HydrophobicContact CZ-CD1 4.34Å
260	E	89.7	Confident	92.5	Very high	103 Å²	103	49.8 Å²	49.8	48%	0.481	25%	0.247	S	C	.	.			trans	-71.3	125.8	-176.5	-178.5	162.3	-102.9	0	0	111.4	N224 P257	N224-E260 PolarHBondContact ND2-OE1 3.4Å; P257-E260 HydrophobicContact CB-CB 4.06Å; P257-E260 VanDerWaalsContact CD-OE2 3.26Å; P257-E260 WeakPolarHBondContact CD-OE2 3.47Å; P257-E260 HydrophobicContact CG-CB 4.08Å
261	T	86.9	Confident	92.4	Very high	52 Å²	52	48.8 Å²	48.8	32%	0.319	24%	0.243	S	C	.	.			trans	-131.1	-179.8	174.3	76.8	0	0	0	0	110.8	F259 D263 E266 T267	F259-T261 PolarHBondContact O-N 3.36Å; T261-D263 PolarHBondContact O-N 2.89Å; T261-D263 PolarHBondContact OG1-N 2.84Å; T261-D263 PolarHBondContact OG1-O 2.79Å; T261-E266 HydrophobicContact CG2-CG 4.43Å; T261-T267 PolarHBondContact N-OG1 2.94Å; T261-T267 PolarHBondContact OG1-N 3.03Å; T261-T267 PolarHBondContact OG1-OG1 3.41Å
262	L	79.9	Confident	92.3	Very high	149 Å²	149	52.4 Å²	52.4	78%	0.78	26%	0.259	S	S	*	.	S	Bend	trans	-70.7	-17.6	178.1	-53.6	-174.8	0	0	0	113.5
263	D	85.4	Confident	92.3	Very high	80 Å²	80	56.8 Å²	56.8	43%	0.428	28%	0.279	S	S	.	.	S	Bend	trans	-128.9	136.3	-175.6	164.5	49.8	0	0	0	111.2	T261 K265 E266 T267	T261-D263 PolarHBondContact O-N 2.89Å; T261-D263 PolarHBondContact OG1-N 2.84Å; T261-D263 PolarHBondContact OG1-O 2.79Å; D263-K265 VanDerWaalsContact C-N 3.3Å; D263-K265 PolarHBondContact O-N 3.19Å; D263-K265 PolarHBondContact OD1-N 3.15Å; D263-K265 WeakPolarHBondContact OD2-CA 3.12Å; D263-K265 VanDerWaalsContact OD2-CB 3.3Å; D263-K265 WeakPolarHBondContact OD2-CB 3.38Å; D263-K265 PolarHBondContact OD2-N 3.23Å; D263-E266 HydrophobicContact CB-CB 4.39Å; D263-E266 PolarHBondContact O-N 2.62Å; D263-E266 PolarHBondContact OD2-N 2.74Å; D263-T267 WeakPolarHBondContact O-CB 3.45Å; D263-T267 PolarHBondContact O-N 3.37Å; D263-T267 PolarHBondContact O-OG1 3.29Å
264	L	87.8	Confident	92.3	Very high	85 Å²	85	57.1 Å²	57.1	45%	0.445	28%	0.282	S	S	.	.	H	α-helix	trans	-66.5	-31.4	-178.5	-172.6	63.9	0	0	0	112.4	P223 Y268	P223-L264 HydrophobicContact CB-CD1 3.65Å; P223-L264 HydrophobicContact CG-CD1 3.89Å; L264-Y268 HydrophobicContact CD1-CE1 3.86Å; L264-Y268 HydrophobicContact CD1-CE2 4.29Å; L264-Y268 HydrophobicContact CD2-CE2 4.2Å; L264-Y268 HydrophobicContact CG-CD2 4.42Å; L264-Y268 HydrophobicContact CG-CE1 4.28Å; L264-Y268 HydrophobicContact CG-CE2 3.81Å; L264-Y268 WeakPolarHBondContact O-CD2 3.32Å; L264-Y268 PolarHBondContact O-N 3.11Å
265	K	89.8	Confident	92.4	Very high	167 Å²	167	62.1 Å²	62.1	73%	0.726	30%	0.301	S	S	*	.	H	α-helix	trans	-74.6	-41.4	178.9	174.5	-170.8	175	-169	0	111.3	D263 Y268 K269	D263-K265 VanDerWaalsContact C-N 3.3Å; D263-K265 PolarHBondContact O-N 3.19Å; D263-K265 PolarHBondContact OD1-N 3.15Å; D263-K265 WeakPolarHBondContact OD2-CA 3.12Å; D263-K265 VanDerWaalsContact OD2-CB 3.3Å; D263-K265 WeakPolarHBondContact OD2-CB 3.38Å; D263-K265 PolarHBondContact OD2-N 3.23Å; K265-Y268 PolarHBondContact O-N 2.91Å; K265-K269 PolarHBondContact O-N 2.77Å
266	E	93	Very high	92.7	Very high	66 Å²	66	64 Å²	64	31%	0.308	31%	0.309	S	S	.	.	H	α-helix	trans	-68.1	-38	171.7	-171.9	60.8	-159.7	0	0	111.6	T261 D263 Y268 K269 C270	T261-E266 HydrophobicContact CG2-CG 4.43Å; D263-E266 HydrophobicContact CB-CB 4.39Å; D263-E266 PolarHBondContact O-N 2.62Å; D263-E266 PolarHBondContact OD2-N 2.74Å; E266-Y268 VanDerWaalsContact C-N 3.33Å; E266-Y268 PolarHBondContact O-N 3.45Å; E266-K269 CarbonylContact O-C 3.58Å; E266-K269 WeakPolarHBondContact O-CA 3.29Å; E266-K269 WeakPolarHBondContact O-CB 3.25Å; E266-K269 PolarHBondContact O-N 3.18Å; E266-K269 IonicContact OE1-NZ 2.66Å; E266-K269 PolarHBondContact OE1-NZ 3.36Å; E266-K269 IonicContact OE2-NZ 3.45Å; E266-K269 PolarHBondContact OE2-NZ 3.18Å; E266-C270 PolarHBondContact O-N 2.92Å; E266-C270 PolarHBondContact O-SG 3.32Å; E266-C270 VanDerWaalsContact O-SG 3.4Å
267	T	92.3	Very high	92.9	Very high	4 Å²	4	66.5 Å²	66.5	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-53.7	-48.4	169.1	-67.8	0	0	0	0	111.2	F259 T261 D263 K269 C270 I271	F259-T267 WeakPolarHBondContact O-CG2 3.42Å; T261-T267 PolarHBondContact N-OG1 2.94Å; T261-T267 PolarHBondContact OG1-N 3.03Å; T261-T267 PolarHBondContact OG1-OG1 3.41Å; D263-T267 WeakPolarHBondContact O-CB 3.45Å; D263-T267 PolarHBondContact O-N 3.37Å; D263-T267 PolarHBondContact O-OG1 3.29Å; T267-K269 VanDerWaalsContact C-N 3.31Å; T267-K269 PolarHBondContact O-N 3.39Å; T267-C270 PolarHBondContact O-N 2.91Å; T267-I271 HydrophobicContact CG2-CD1 4.14Å; T267-I271 WeakPolarHBondContact O-CG1 3.3Å; T267-I271 PolarHBondContact O-N 2.82Å
268	Y	94.5	Very high	92.8	Very high	68 Å²	68	68.4 Å²	68.4	27%	0.267	33%	0.331	S	S	.	.	H	α-helix	trans	-65.5	-30.3	175.7	-67.4	-22.3	0	0	0	113.8	P223 L226 L231 L264 K265 E266 I271 K272	P223-Y268 HydrophobicContact CB-CE1 4.08Å; L226-Y268 HydrophobicContact CD1-CE1 4.09Å; L231-Y268 HydrophobicContact CD1-CD1 3.71Å; L231-Y268 HydrophobicContact CD1-CG 4.07Å; L231-Y268 HydrophobicContact CD2-CD1 3.77Å; L231-Y268 HydrophobicContact CD2-CE1 3.87Å; L231-Y268 HydrophobicContact CD2-CG 4.2Å; L231-Y268 HydrophobicContact CG-CD1 4.43Å; L264-Y268 HydrophobicContact CD1-CE1 3.86Å; L264-Y268 HydrophobicContact CD1-CE2 4.29Å; L264-Y268 HydrophobicContact CD2-CE2 4.2Å; L264-Y268 HydrophobicContact CG-CD2 4.42Å; L264-Y268 HydrophobicContact CG-CE1 4.28Å; L264-Y268 HydrophobicContact CG-CE2 3.81Å; L264-Y268 WeakPolarHBondContact O-CD2 3.32Å; L264-Y268 PolarHBondContact O-N 3.11Å; K265-Y268 PolarHBondContact O-N 2.91Å; E266-Y268 VanDerWaalsContact C-N 3.33Å; E266-Y268 PolarHBondContact O-N 3.45Å; Y268-I271 HydrophobicContact CD1-CD1 4.42Å; Y268-K272 VanDerWaalsContact O-CG 3.31Å; Y268-K272 WeakPolarHBondContact O-CG 3.48Å; Y268-K272 PolarHBondContact O-N 3.22Å; Y268-K272 VanDerWaalsContact O-N 3.1Å
269	K	95.8	Very high	92.5	Very high	82 Å²	82	69.8 Å²	69.8	36%	0.357	34%	0.34	S	S	.	.	H	α-helix	trans	-68.7	-49.5	172.8	172.4	161.7	148.5	-90	0	111.2	K265 E266 T267 I271 K272 E273	K265-K269 PolarHBondContact O-N 2.77Å; E266-K269 CarbonylContact O-C 3.58Å; E266-K269 WeakPolarHBondContact O-CA 3.29Å; E266-K269 WeakPolarHBondContact O-CB 3.25Å; E266-K269 PolarHBondContact O-N 3.18Å; E266-K269 IonicContact OE1-NZ 2.66Å; E266-K269 PolarHBondContact OE1-NZ 3.36Å; E266-K269 IonicContact OE2-NZ 3.45Å; E266-K269 PolarHBondContact OE2-NZ 3.18Å; T267-K269 VanDerWaalsContact C-N 3.31Å; T267-K269 PolarHBondContact O-N 3.39Å; K269-I271 VanDerWaalsContact C-N 3.28Å; K269-I271 PolarHBondContact O-N 2.9Å; K269-K272 PolarHBondContact O-N 3.17Å; K269-E273 WeakPolarHBondContact CD-OE1 3.47Å; K269-E273 WeakPolarHBondContact CE-OE1 3.29Å; K269-E273 HydrophobicContact CG-CG 4.35Å; K269-E273 WeakPolarHBondContact CG-OE1 3.49Å; K269-E273 WeakPolarHBondContact O-CB 3.3Å; K269-E273 WeakPolarHBondContact O-CG 3.43Å; K269-E273 PolarHBondContact O-N 2.91Å
270	C	96.1	Very high	92.2	Very high	13 Å²	13	75.2 Å²	75.2	9%	0.088	38%	0.378	C	S	.	.	H	α-helix	trans	-56.2	-40.3	174.9	-67.5	0	0	0	0	112.3	F259 E266 T267 V274 K275	F259-C270 HydrophobicContact CB-CB 4.37Å; F259-C270 HydrophobicContact CD1-CB 4.18Å; E266-C270 PolarHBondContact O-N 2.92Å; E266-C270 PolarHBondContact O-SG 3.32Å; E266-C270 VanDerWaalsContact O-SG 3.4Å; T267-C270 PolarHBondContact O-N 2.91Å; C270-V274 CarbonylContact O-C 3.59Å; C270-V274 WeakPolarHBondContact O-CA 3.39Å; C270-V274 PolarHBondContact O-N 2.9Å; C270-K275 PolarHBondContact O-N 3.01Å
271	I	97	Very high	92.1	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-61.9	-50.4	172.7	-67.8	165.4	0	0	0	111.2	L226 P228 L231 W243 F259 T267 Y268 K269 E273 V274	L226-I271 WeakPolarHBondContact O-CG2 3.36Å; P228-I271 HydrophobicContact CG-CG2 4.15Å; L231-I271 HydrophobicContact CD1-CB 3.76Å; L231-I271 HydrophobicContact CD1-CD1 4.02Å; L231-I271 HydrophobicContact CD1-CG1 4.5Å; L231-I271 HydrophobicContact CD1-CG2 3.51Å; L231-I271 HydrophobicContact CG-CG2 4.47Å; W243-I271 HydrophobicContact CZ2-CG2 3.99Å; F259-I271 HydrophobicContact CB-CD1 4.33Å; F259-I271 HydrophobicContact CB-CG1 3.58Å; F259-I271 HydrophobicContact CD1-CG1 4.18Å; F259-I271 HydrophobicContact CD2-CG1 3.79Å; F259-I271 HydrophobicContact CG-CG1 3.57Å; T267-I271 HydrophobicContact CG2-CD1 4.14Å; T267-I271 WeakPolarHBondContact O-CG1 3.3Å; T267-I271 PolarHBondContact O-N 2.82Å; Y268-I271 HydrophobicContact CD1-CD1 4.42Å; K269-I271 VanDerWaalsContact C-N 3.28Å; K269-I271 PolarHBondContact O-N 2.9Å; I271-E273 VanDerWaalsContact C-N 3.31Å; I271-E273 PolarHBondContact O-N 2.72Å; I271-V274 PolarHBondContact O-N 2.73Å; I271-V274 VanDerWaalsContact O-N 3.08Å
272	K	95.1	Very high	92.4	Very high	77 Å²	77	74.5 Å²	74.5	34%	0.335	38%	0.381	S	S	.	.	H	α-helix	trans	-65.2	-31.7	-178.6	-73.9	178.6	-177	-133.8	0	113.9	L231 N232 Y268 K269 K296	L231-K272 HydrophobicContact CB-CG 4.3Å; L231-K272 HydrophobicContact CD1-CG 4.45Å; L231-K272 WeakPolarHBondContact O-CE 3.26Å; L231-K272 PolarHBondContact O-NZ 3.11Å; N232-K272 VanDerWaalsContact OD1-CE 3.26Å; N232-K272 WeakPolarHBondContact OD1-CE 3.3Å; N232-K272 PolarHBondContact OD1-NZ 3.01Å; Y268-K272 VanDerWaalsContact O-CG 3.31Å; Y268-K272 WeakPolarHBondContact O-CG 3.48Å; Y268-K272 PolarHBondContact O-N 3.22Å; Y268-K272 VanDerWaalsContact O-N 3.1Å; K269-K272 PolarHBondContact O-N 3.17Å; K272-K296 VanDerWaalsContact O-CE 3.27Å; K272-K296 WeakPolarHBondContact O-CE 3.21Å
273	E	96.3	Very high	93.1	Very high	92 Å²	92	69.1 Å²	69.1	43%	0.43	36%	0.356	S	S	.	.	H	α-helix	trans	-82.3	-16.1	174.9	-69.5	173.3	-173.4	0	0	112.3	K269 I271 K275	K269-E273 WeakPolarHBondContact CD-OE1 3.47Å; K269-E273 WeakPolarHBondContact CE-OE1 3.29Å; K269-E273 HydrophobicContact CG-CG 4.35Å; K269-E273 WeakPolarHBondContact CG-OE1 3.49Å; K269-E273 WeakPolarHBondContact O-CB 3.3Å; K269-E273 WeakPolarHBondContact O-CG 3.43Å; K269-E273 PolarHBondContact O-N 2.91Å; I271-E273 VanDerWaalsContact C-N 3.31Å; I271-E273 PolarHBondContact O-N 2.72Å; E273-K275 HydrophobicContact CB-CB 4.14Å
274	V	96.9	Very high	93.5	Very high	29 Å²	29	69.9 Å²	69.9	18%	0.176	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	39	-169.8	-168.1	0	0	0	0	111.3	P228 W243 C270 I271 Y276 L294 K296	P228-V274 HydrophobicContact CG-CG2 4.14Å; W243-V274 HydrophobicContact CH2-CB 4.43Å; W243-V274 HydrophobicContact CH2-CG1 3.95Å; W243-V274 HydrophobicContact CH2-CG2 3.9Å; W243-V274 HydrophobicContact CZ3-CG1 4.15Å; W243-V274 HydrophobicContact CZ3-CG2 4.18Å; C270-V274 CarbonylContact O-C 3.59Å; C270-V274 WeakPolarHBondContact O-CA 3.39Å; C270-V274 PolarHBondContact O-N 2.9Å; I271-V274 PolarHBondContact O-N 2.73Å; I271-V274 VanDerWaalsContact O-N 3.08Å; V274-Y276 HydrophobicContact CG1-CD1 4.31Å; V274-Y276 HydrophobicContact CG1-CE1 3.95Å; V274-L294 VanDerWaalsContact CG1-O 3.28Å; V274-L294 WeakPolarHBondContact CG1-O 3.41Å; V274-K296 HydrophobicContact CG2-CB 3.6Å; V274-K296 HydrophobicContact CG2-CD 4.27Å; V274-K296 HydrophobicContact CG2-CG 3.79Å
275	K	96.7	Very high	94	Very high	129 Å²	129	67.3 Å²	67.3	56%	0.561	36%	0.356	S	S	*	.			trans	-93	101.7	-178.6	-172.8	178.8	-179.3	-178.5	0	110.3	F259 C270 E273	F259-K275 WeakPolarHBondContact CD1-O 3.32Å; C270-K275 PolarHBondContact O-N 3.01Å; E273-K275 HydrophobicContact CB-CB 4.14Å
276	Y	96.4	Very high	94.3	Very high	41 Å²	41	59.4 Å²	59.4	16%	0.161	32%	0.322	C	S	.	.			trans	-142.4	158.3	171.5	66.8	-75.9	0	0	0	109.6	Y250 P258 F259 V274 L278 I290 L294	Y250-Y276 HydrophobicContact CD2-CD2 4.39Å; Y250-Y276 HydrophobicContact CE2-CD2 4.14Å; P258-Y276 HydrophobicContact CB-CD2 4.11Å; P258-Y276 HydrophobicContact CB-CG 4.12Å; P258-Y276 WeakPolarHBondContact O-CB 3.39Å; F259-Y276 AromaticContact CE1-CD1 3.59Å; F259-Y276 HydrophobicContact CE1-CD1 3.59Å; F259-Y276 HydrophobicContact CE1-CG 4.05Å; F259-Y276 AromaticContact CZ-CD1 3.66Å; F259-Y276 HydrophobicContact CZ-CD1 3.66Å; F259-Y276 HydrophobicContact CZ-CE1 4.29Å; F259-Y276 HydrophobicContact CZ-CG 4.19Å; V274-Y276 HydrophobicContact CG1-CD1 4.31Å; V274-Y276 HydrophobicContact CG1-CE1 3.95Å; Y276-L278 HydrophobicContact CD2-CG 4.37Å; Y276-L278 HydrophobicContact CE2-CD1 4.22Å; Y276-L278 HydrophobicContact CE2-CD2 3.94Å; Y276-L278 HydrophobicContact CE2-CG 3.79Å; Y276-I290 HydrophobicContact CE2-CG2 3.91Å; Y276-L294 HydrophobicContact CD2-CD1 4.48Å; Y276-L294 HydrophobicContact CE1-CB 3.99Å; Y276-L294 HydrophobicContact CE1-CD1 4.16Å; Y276-L294 HydrophobicContact CE2-CD1 4.04Å
277	N	93.8	Very high	94.5	Very high	131 Å²	131	58.9 Å²	58.9	70%	0.701	32%	0.319	S	S	*	.			trans	-95.3	148.4	176.2	-65.6	-18.3	0	0	0	110	Y250	Y250-N277 VanDerWaalsContact CE2-O 3.25Å; Y250-N277 WeakPolarHBondContact CE2-O 3.34Å; Y250-N277 PolarHBondContact OH-O 2.95Å; Y250-N277 VanDerWaalsContact OH-O 3.07Å
278	L	93.8	Very high	94.8	Very high	54 Å²	54	66 Å²	66	28%	0.283	35%	0.35	S	S	.	.			trans	-109.6	112.1	168.3	-80.8	166.7	0	0	0	109	Y250 Y276 S280 L282 Q287 I290 S291	Y250-L278 HydrophobicContact CD2-CD2 4.38Å; Y250-L278 HydrophobicContact CE2-CD2 4.29Å; Y276-L278 HydrophobicContact CD2-CG 4.37Å; Y276-L278 HydrophobicContact CE2-CD1 4.22Å; Y276-L278 HydrophobicContact CE2-CD2 3.94Å; Y276-L278 HydrophobicContact CE2-CG 3.79Å; L278-S280 PolarHBondContact O-N 3.26Å; L278-L282 HydrophobicContact CD2-CD1 3.69Å; L278-Q287 HydrophobicContact CD1-CB 4.43Å; L278-I290 HydrophobicContact CD2-CB 4.2Å; L278-I290 HydrophobicContact CD2-CD1 4.3Å; L278-I290 HydrophobicContact CD2-CG2 3.98Å; L278-S291 VanDerWaalsContact CD1-OG 3.3Å; L278-S291 WeakPolarHBondContact CD1-OG 3.44Å
279	P	89.6	Confident	95	Very high	41 Å²	41	62.7 Å²	62.7	27%	0.266	34%	0.337	S	S	.	.			trans	-59.3	136.4	177.1	-26.4	35.5	0	0	0	112.3	T281 L282	P279-T281 WeakPolarHBondContact CB-OG1 3.43Å; P279-T281 PolarHBondContact O-N 3.38Å; P279-T281 VanDerWaalsContact O-N 3.16Å; P279-L282 HydrophobicContact CB-CG 4.45Å; P279-L282 WeakPolarHBondContact O-CB 3.48Å; P279-L282 PolarHBondContact O-N 3.17Å
280	S	89	Confident	95.1	Very high	116 Å²	116	58.8 Å²	58.8	81%	0.811	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.7	175	51.1	0	0	0	0	113.6	L278 L282	L278-S280 PolarHBondContact O-N 3.26Å; S280-L282 VanDerWaalsContact C-N 3.28Å; S280-L282 PolarHBondContact O-N 3.34Å
281	T	87.9	Confident	95.2	Very high	129 Å²	129	60.1 Å²	60.1	79%	0.791	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.6	171.7	51.7	0	0	0	0	113.6	P279	P279-T281 WeakPolarHBondContact CB-OG1 3.43Å; P279-T281 PolarHBondContact O-N 3.38Å; P279-T281 VanDerWaalsContact O-N 3.16Å
282	L	92.8	Very high	95.3	Very high	12 Å²	12	60.9 Å²	60.9	6%	0.063	34%	0.337	C	S	.	.	S	Bend	trans	-71.9	139.7	175	-67.8	177.6	0	0	0	111.2	M253 L278 P279 S280 Q287 I290	M253-L282 HydrophobicContact CB-CD2 3.69Å; M253-L282 HydrophobicContact CE-CD2 4.03Å; M253-L282 HydrophobicContact SD-CD2 4.41Å; L278-L282 HydrophobicContact CD2-CD1 3.69Å; P279-L282 HydrophobicContact CB-CG 4.45Å; P279-L282 WeakPolarHBondContact O-CB 3.48Å; P279-L282 PolarHBondContact O-N 3.17Å; S280-L282 VanDerWaalsContact C-N 3.28Å; S280-L282 PolarHBondContact O-N 3.34Å; L282-Q287 HydrophobicContact CB-CG 3.58Å; L282-Q287 HydrophobicContact CD1-CG 4.19Å; L282-Q287 PolarHBondContact O-NE2 3.36Å; L282-I290 HydrophobicContact CD1-CD1 4.05Å
283	S	94.3	Very high	95.5	Very high	36 Å²	36	57.3 Å²	57.3	25%	0.252	32%	0.321	S	S	.	.			trans	-59.5	143.8	173.4	72.3	0	0	0	0	111.2	A285 A286 Q287	S283-A285 PolarHBondContact O-N 3.28Å; S283-A286 WeakPolarHBondContact O-CA 3.24Å; S283-A286 WeakPolarHBondContact O-CB 3.47Å; S283-A286 PolarHBondContact O-N 3.02Å; S283-A286 WeakPolarHBondContact OG-CB 3.31Å; S283-A286 PolarHBondContact OG-N 2.8Å; S283-Q287 PolarHBondContact O-N 2.82Å
284	P	95.8	Very high	95.6	Very high	95 Å²	95	53 Å²	53	62%	0.617	30%	0.301	S	S	*	.	H	α-helix	trans	-58.6	-22.8	-179.4	-28.1	35.8	0	0	0	114.3	K288	P284-K288 WeakPolarHBondContact O-CB 3.21Å; P284-K288 VanDerWaalsContact O-CG 3.3Å; P284-K288 WeakPolarHBondContact O-CG 3.33Å; P284-K288 PolarHBondContact O-N 3.01Å
285	A	96.5	Very high	95.6	Very high	32 Å²	32	55 Å²	55	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-77.3	-34.2	172.5	0	0	0	0	0	112.8	S283 L289 H310 F312	S283-A285 PolarHBondContact O-N 3.28Å; A285-L289 WeakPolarHBondContact O-CB 3.04Å; A285-L289 PolarHBondContact O-N 3.49Å; A285-H310 PolarHBondContact O-CE1 3.05Å; A285-H310 VanDerWaalsContact O-CE1 3.23Å; A285-F312 HydrophobicContact CB-CB 4.26Å
286	A	97.2	Very high	95.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-69.8	-47	172.5	0	0	0	0	0	111.4	M249 M253 S283 K288 L289 I290 F312	M249-A286 HydrophobicContact CE-CB 4.06Å; M253-A286 HydrophobicContact CE-CB 3.58Å; M253-A286 HydrophobicContact SD-CB 3.93Å; S283-A286 WeakPolarHBondContact O-CA 3.24Å; S283-A286 WeakPolarHBondContact O-CB 3.47Å; S283-A286 PolarHBondContact O-N 3.02Å; S283-A286 WeakPolarHBondContact OG-CB 3.31Å; S283-A286 PolarHBondContact OG-N 2.8Å; A286-K288 PolarHBondContact O-N 3.13Å; A286-L289 PolarHBondContact O-N 3.25Å; A286-L289 VanDerWaalsContact O-N 3.15Å; A286-I290 WeakPolarHBondContact O-CG1 3.41Å; A286-I290 PolarHBondContact O-N 3.44Å; A286-F312 HydrophobicContact CB-CD2 3.95Å; A286-F312 HydrophobicContact CB-CE2 3.86Å
287	Q	97.8	Very high	95.6	Very high	56 Å²	56	56.2 Å²	56.2	26%	0.262	32%	0.319	S	S	.	.	H	α-helix	trans	-54	-53.8	176.5	-64.4	-178.3	25.1	0	0	111.2	L278 L282 S283 L289 I290 S291	L278-Q287 HydrophobicContact CD1-CB 4.43Å; L282-Q287 HydrophobicContact CB-CG 3.58Å; L282-Q287 HydrophobicContact CD1-CG 4.19Å; L282-Q287 PolarHBondContact O-NE2 3.36Å; S283-Q287 PolarHBondContact O-N 2.82Å; Q287-L289 VanDerWaalsContact C-N 3.29Å; Q287-L289 PolarHBondContact O-N 3.02Å; Q287-I290 PolarHBondContact O-N 3.48Å; Q287-S291 PolarHBondContact O-N 2.89Å; Q287-S291 PolarHBondContact O-OG 2.66Å
288	K	97.9	Very high	95.7	Very high	152 Å²	152	51.8 Å²	51.8	66%	0.661	30%	0.298	S	S	*	.	H	α-helix	trans	-60.8	-34.2	178.8	-73.6	179.5	179.6	-174.2	0	113.4	P284 A286 G292	P284-K288 WeakPolarHBondContact O-CB 3.21Å; P284-K288 VanDerWaalsContact O-CG 3.3Å; P284-K288 WeakPolarHBondContact O-CG 3.33Å; P284-K288 PolarHBondContact O-N 3.01Å; A286-K288 PolarHBondContact O-N 3.13Å; K288-G292 PolarHBondContact O-N 3.06Å
289	L	98.5	Very high	95.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-69	-47	175.6	-174.8	50.9	0	0	0	111.6	M249 A285 A286 Q287 S291 G292 I293 L302 I307 H310 F312 F313	M249-L289 HydrophobicContact CE-CB 4.17Å; M249-L289 HydrophobicContact CE-CD2 3.91Å; M249-L289 HydrophobicContact CE-CG 4.24Å; M249-L289 HydrophobicContact SD-CB 4.39Å; M249-L289 HydrophobicContact SD-CD2 3.73Å; M249-L289 HydrophobicContact SD-CG 3.9Å; A285-L289 WeakPolarHBondContact O-CB 3.04Å; A285-L289 PolarHBondContact O-N 3.49Å; A286-L289 PolarHBondContact O-N 3.25Å; A286-L289 VanDerWaalsContact O-N 3.15Å; Q287-L289 VanDerWaalsContact C-N 3.29Å; Q287-L289 PolarHBondContact O-N 3.02Å; L289-S291 PolarHBondContact O-N 3.29Å; L289-G292 PolarHBondContact O-N 2.97Å; L289-G292 VanDerWaalsContact O-N 3.12Å; L289-I293 HydrophobicContact CD1-CD1 3.8Å; L289-I293 HydrophobicContact CD1-CG1 4.14Å; L289-I293 HydrophobicContact CG-CD1 3.85Å; L289-I293 WeakPolarHBondContact O-CG1 3.44Å; L289-I293 PolarHBondContact O-N 2.86Å; L289-L302 HydrophobicContact CD1-CD1 3.78Å; L289-I307 HydrophobicContact CD1-CG1 4.33Å; L289-I307 HydrophobicContact CD1-CG2 4.27Å; L289-H310 HydrophobicContact CD1-CB 3.91Å; L289-F312 HydrophobicContact CB-CB 4.43Å; L289-F312 HydrophobicContact CD2-CB 3.8Å; L289-F312 HydrophobicContact CD2-CD1 3.57Å; L289-F312 HydrophobicContact CD2-CE1 4.4Å; L289-F312 HydrophobicContact CD2-CG 3.89Å; L289-F313 HydrophobicContact CD2-CD2 4.23Å; L289-F313 HydrophobicContact CD2-CE2 3.69Å
290	I	98.6	Very high	96.2	Very high	0 Å²	0	56 Å²	56	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.1	-45.9	178.9	-66	166.7	0	0	0	110.1	M249 Y250 Y276 L278 L282 A286 Q287 G292 I293 L294	M249-I290 HydrophobicContact CE-CD1 4.21Å; M249-I290 HydrophobicContact CE-CG1 3.89Å; M249-I290 HydrophobicContact CG-CD1 4.3Å; M249-I290 HydrophobicContact CG-CG1 3.97Å; M249-I290 HydrophobicContact SD-CG1 3.85Å; Y250-I290 HydrophobicContact CD2-CD1 4.3Å; Y250-I290 HydrophobicContact CD2-CG2 4.2Å; Y276-I290 HydrophobicContact CE2-CG2 3.91Å; L278-I290 HydrophobicContact CD2-CB 4.2Å; L278-I290 HydrophobicContact CD2-CD1 4.3Å; L278-I290 HydrophobicContact CD2-CG2 3.98Å; L282-I290 HydrophobicContact CD1-CD1 4.05Å; A286-I290 WeakPolarHBondContact O-CG1 3.41Å; A286-I290 PolarHBondContact O-N 3.44Å; Q287-I290 PolarHBondContact O-N 3.48Å; I290-G292 VanDerWaalsContact C-N 3.29Å; I290-G292 PolarHBondContact O-N 3.44Å; I290-I293 PolarHBondContact O-N 3.15Å; I290-I293 VanDerWaalsContact O-N 3.11Å; I290-L294 HydrophobicContact CG2-CD1 3.77Å; I290-L294 HydrophobicContact CG2-CG 4.32Å; I290-L294 PolarHBondContact O-N 2.94Å
291	S	98.1	Very high	96.7	Very high	41 Å²	41	51 Å²	51	29%	0.287	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-35.1	173.9	-57.1	0	0	0	0	113.4	L278 Q287 L289 I293 Q295	L278-S291 VanDerWaalsContact CD1-OG 3.3Å; L278-S291 WeakPolarHBondContact CD1-OG 3.44Å; Q287-S291 PolarHBondContact O-N 2.89Å; Q287-S291 PolarHBondContact O-OG 2.66Å; L289-S291 PolarHBondContact O-N 3.29Å; S291-I293 VanDerWaalsContact C-N 3.34Å; S291-Q295 PolarHBondContact O-NE2 2.9Å
292	G	98.3	Very high	97.2	Very high	15 Å²	15	46.8 Å²	46.8	16%	0.155	26%	0.261	C	S	.	.	H	α-helix	trans	-73.2	-21.9	175.9	0	0	0	0	0	114.2	K288 L289 I290 R301 L302	K288-G292 PolarHBondContact O-N 3.06Å; L289-G292 PolarHBondContact O-N 2.97Å; L289-G292 VanDerWaalsContact O-N 3.12Å; I290-G292 VanDerWaalsContact C-N 3.29Å; I290-G292 PolarHBondContact O-N 3.44Å; G292-R301 WeakPolarHBondContact O-CA 3.11Å; G292-L302 WeakPolarHBondContact O-CG 3.44Å; G292-L302 PolarHBondContact O-N 3.47Å
293	I	98.6	Very high	97.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-93.6	-43.4	178.8	-62	167.6	0	0	0	111.3	I242 G246 L289 I290 S291 Q295 R301 I307	I242-I293 HydrophobicContact CG2-CG2 3.93Å; I242-I293 WeakPolarHBondContact O-CG2 3.37Å; G246-I293 VanDerWaalsContact CA-CG2 3.44Å; L289-I293 HydrophobicContact CD1-CD1 3.8Å; L289-I293 HydrophobicContact CD1-CG1 4.14Å; L289-I293 HydrophobicContact CG-CD1 3.85Å; L289-I293 WeakPolarHBondContact O-CG1 3.44Å; L289-I293 PolarHBondContact O-N 2.86Å; I290-I293 PolarHBondContact O-N 3.15Å; I290-I293 VanDerWaalsContact O-N 3.11Å; S291-I293 VanDerWaalsContact C-N 3.34Å; I293-Q295 PolarHBondContact O-N 3.34Å; I293-R301 WeakPolarHBondContact O-CD 3.3Å; I293-R301 WeakPolarHBondContact O-CG 3.38Å; I293-I307 HydrophobicContact CD1-CD1 3.8Å; I293-I307 HydrophobicContact CD1-CG1 3.95Å; I293-I307 HydrophobicContact CD1-CG2 4.35Å; I293-I307 HydrophobicContact CG1-CD1 3.76Å; I293-I307 HydrophobicContact CG1-CG1 3.88Å
294	L	98.4	Very high	97.6	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	27%	0.269	C	S	.	.	S	Bend	trans	-85.5	58.3	-179.5	-64	-178.6	0	0	0	111.3	W243 P258 F259 V274 Y276 I290	W243-L294 HydrophobicContact CD2-CD2 3.69Å; W243-L294 HydrophobicContact CE3-CB 4.37Å; W243-L294 HydrophobicContact CE3-CD2 3.76Å; W243-L294 HydrophobicContact CG-CD2 4.22Å; W243-L294 HydrophobicContact CH2-CD2 4.32Å; W243-L294 HydrophobicContact CZ2-CD2 4.26Å; W243-L294 HydrophobicContact CZ3-CB 4.07Å; W243-L294 HydrophobicContact CZ3-CD2 4.08Å; P258-L294 HydrophobicContact CB-CD1 4.29Å; P258-L294 HydrophobicContact CG-CD1 4.11Å; F259-L294 HydrophobicContact CE2-CD1 4.29Å; F259-L294 HydrophobicContact CE2-CD2 4.44Å; F259-L294 HydrophobicContact CZ-CD1 4.34Å; V274-L294 VanDerWaalsContact CG1-O 3.28Å; V274-L294 WeakPolarHBondContact CG1-O 3.41Å; Y276-L294 HydrophobicContact CD2-CD1 4.48Å; Y276-L294 HydrophobicContact CE1-CB 3.99Å; Y276-L294 HydrophobicContact CE1-CD1 4.16Å; Y276-L294 HydrophobicContact CE2-CD1 4.04Å; I290-L294 HydrophobicContact CG2-CD1 3.77Å; I290-L294 HydrophobicContact CG2-CG 4.32Å; I290-L294 PolarHBondContact O-N 2.94Å
295	Q	98.3	Very high	97.8	Very high	72 Å²	72	47.3 Å²	47.3	34%	0.336	26%	0.259	S	S	.	.			trans	-92.4	145.8	172.7	-72.4	-63.9	-24.5	0	0	112.5	W243 S291 I293 D300 R301	W243-Q295 WeakPolarHBondContact CZ3-O 3.49Å; S291-Q295 PolarHBondContact O-NE2 2.9Å; I293-Q295 PolarHBondContact O-N 3.34Å; Q295-D300 HydrophobicContact CB-CB 4.02Å; Q295-D300 HydrophobicContact CG-CB 4.27Å; Q295-R301 HydrophobicContact CB-CG 3.87Å; Q295-R301 PolarHBondContact O-NE 3.27Å; Q295-R301 PolarHBondContact O-NH2 3.35Å
296	K	96.5	Very high	97.8	Very high	110 Å²	110	50.6 Å²	50.6	48%	0.478	27%	0.269	S	S	.	.	S	Bend	trans	-64.7	-51.3	-175.7	-171.5	168.9	-177.7	170.5	0	112.2	K272 V274 R301	K272-K296 VanDerWaalsContact O-CE 3.27Å; K272-K296 WeakPolarHBondContact O-CE 3.21Å; V274-K296 HydrophobicContact CG2-CB 3.6Å; V274-K296 HydrophobicContact CG2-CD 4.27Å; V274-K296 HydrophobicContact CG2-CG 3.79Å; K296-R301 PolarHBondContact O-NH2 2.86Å
297	N	96.7	Very high	97.9	Very high	85 Å²	85	50.7 Å²	50.7	46%	0.455	27%	0.269	S	S	.	.	S	Bend	trans	-78.8	133.9	175	-50.8	-41.2	0	0	0	108.8	S299 D300	N297-S299 PolarHBondContact O-N 3.26Å; N297-D300 HydrophobicContact CB-CB 4.39Å; N297-D300 WeakPolarHBondContact CB-OD2 3.45Å; N297-D300 PolarHBondContact ND2-OD2 2.96Å; N297-D300 PolarHBondContact O-N 3.39Å
298	P	96.4	Very high	97.9	Very high	38 Å²	38	50.3 Å²	50.3	25%	0.247	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-59.7	-31.8	178.7	-26.9	36.2	0	0	0	114.3	E229 E239 D300	E229-P298 HydrophobicContact CB-CG 3.98Å; E229-P298 HydrophobicContact CG-CG 3.92Å; E239-P298 HydrophobicContact CB-CB 3.65Å; E239-P298 HydrophobicContact CG-CB 3.97Å; P298-D300 VanDerWaalsContact C-N 3.29Å; P298-D300 PolarHBondContact O-N 2.98Å
299	S	96.3	Very high	97.9	Very high	98 Å²	98	48.5 Å²	48.5	69%	0.685	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-63.2	-29.2	177.7	45.6	0	0	0	0	114.6	N297 R301	N297-S299 PolarHBondContact O-N 3.26Å; S299-R301 VanDerWaalsContact C-N 3.32Å
300	D	97.7	Very high	97.8	Very high	84 Å²	84	50.4 Å²	50.4	45%	0.449	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-92.6	-4.1	-167.5	-52.6	0.7	0	0	0	110.9	Q295 N297 P298	Q295-D300 HydrophobicContact CB-CB 4.02Å; Q295-D300 HydrophobicContact CG-CB 4.27Å; N297-D300 HydrophobicContact CB-CB 4.39Å; N297-D300 WeakPolarHBondContact CB-OD2 3.45Å; N297-D300 PolarHBondContact ND2-OD2 2.96Å; N297-D300 PolarHBondContact O-N 3.39Å; P298-D300 VanDerWaalsContact C-N 3.29Å; P298-D300 PolarHBondContact O-N 2.98Å
301	R	98.4	Very high	97.7	Very high	11 Å²	11	55.2 Å²	55.2	4%	0.042	30%	0.298	C	S	.	.	S	Bend	trans	-76.1	136.6	178.9	-58.6	-178.8	-173.3	146.8	13.2	110.4	E229 E239 I242 G292 I293 Q295 K296 S299 T303	E229-R301 VanDerWaalsContact CD-NH1 3.33Å; E229-R301 IonicContact OE1-CZ 2.87Å; E229-R301 IonicContact OE1-NH1 3.81Å; E229-R301 PolarHBondContact OE1-NH1 3.15Å; E229-R301 IonicContact OE1-NH2 2.68Å; E229-R301 IonicContact OE2-CZ 3.85Å; E229-R301 IonicContact OE2-NH1 2.6Å; E229-R301 PolarHBondContact OE2-NH1 2.94Å; E229-R301 IonicContact OE2-NH2 3.73Å; E229-R301 PolarHBondContact OE2-NH2 3.11Å; E239-R301 PolarHBondContact O-NH1 3.22Å; I242-R301 HydrophobicContact CG2-CB 4.18Å; G292-R301 WeakPolarHBondContact O-CA 3.11Å; I293-R301 WeakPolarHBondContact O-CD 3.3Å; I293-R301 WeakPolarHBondContact O-CG 3.38Å; Q295-R301 HydrophobicContact CB-CG 3.87Å; Q295-R301 PolarHBondContact O-NE 3.27Å; Q295-R301 PolarHBondContact O-NH2 3.35Å; K296-R301 PolarHBondContact O-NH2 2.86Å; S299-R301 VanDerWaalsContact C-N 3.32Å; R301-T303 PolarHBondContact O-N 2.87Å
302	L	98.4	Very high	97.7	Very high	41 Å²	41	53.4 Å²	53.4	22%	0.215	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-57	126.1	172.2	-65.4	172.1	0	0	0	110.8	L289 G292 Q306 I307	L289-L302 HydrophobicContact CD1-CD1 3.78Å; G292-L302 WeakPolarHBondContact O-CG 3.44Å; G292-L302 PolarHBondContact O-N 3.47Å; L302-Q306 HydrophobicContact CB-CB 4.19Å; L302-Q306 HydrophobicContact CD2-CB 3.99Å; L302-I307 HydrophobicContact CB-CG1 3.77Å; L302-I307 WeakPolarHBondContact O-CD1 3.35Å
303	T	98.3	Very high	97.6	Very high	68 Å²	68	53.4 Å²	53.4	42%	0.417	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-63	159.5	172	60.6	0	0	0	0	111.6	R301 D305 Q306 I307	R301-T303 PolarHBondContact O-N 2.87Å; T303-D305 PolarHBondContact O-N 2.98Å; T303-Q306 PolarHBondContact O-N 3.28Å; T303-Q306 VanDerWaalsContact OG1-CD 3.28Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.43Å; T303-Q306 PolarHBondContact OG1-N 3.09Å; T303-Q306 PolarHBondContact OG1-OE1 3.46Å; T303-I307 WeakPolarHBondContact O-CG1 3.36Å; T303-I307 PolarHBondContact O-N 3.22Å
304	L	98.3	Very high	97.3	Very high	13 Å²	13	57.4 Å²	57.4	7%	0.068	31%	0.305	C	S	.	.	H	α-helix	trans	-52.9	-32.4	179.4	-66.1	177.8	0	0	0	113.9	I169 L172 K173 I242 L245 I307 L308	I169-L304 HydrophobicContact CG1-CD2 4.34Å; I169-L304 HydrophobicContact CG2-CB 3.97Å; I169-L304 HydrophobicContact CG2-CD2 4.16Å; L172-L304 HydrophobicContact CB-CD1 3.93Å; L172-L304 HydrophobicContact CB-CD2 4.5Å; K173-L304 HydrophobicContact CB-CD1 4.47Å; K173-L304 HydrophobicContact CD-CB 4.24Å; K173-L304 HydrophobicContact CG-CB 3.88Å; K173-L304 HydrophobicContact CG-CD1 3.62Å; K173-L304 HydrophobicContact CG-CG 4.4Å; I242-L304 HydrophobicContact CD1-CD2 4.42Å; I242-L304 HydrophobicContact CD1-CG 4.18Å; I242-L304 HydrophobicContact CG1-CD2 3.86Å; I242-L304 HydrophobicContact CG1-CG 4.13Å; L245-L304 HydrophobicContact CD2-CD2 3.93Å; L304-I307 HydrophobicContact CD2-CD1 4.48Å; L304-L308 WeakPolarHBondContact O-CG 3.3Å; L304-L308 PolarHBondContact O-N 3.05Å
305	D	97.9	Very high	96.7	Very high	74 Å²	74	64.9 Å²	64.9	40%	0.396	34%	0.337	S	S	.	.	H	α-helix	trans	-80.2	-36.7	175.1	-71.6	-64.8	0	0	0	113.4	K173 T303 I307 L308 N309	K173-D305 IonicContact NZ-OD1 3.19Å; K173-D305 PolarHBondContact NZ-OD1 2.8Å; K173-D305 IonicContact NZ-OD2 2.79Å; K173-D305 PolarHBondContact NZ-OD2 3.14Å; T303-D305 PolarHBondContact O-N 2.98Å; D305-I307 VanDerWaalsContact C-N 3.3Å; D305-I307 PolarHBondContact O-N 2.97Å; D305-L308 PolarHBondContact O-N 3.17Å; D305-N309 WeakPolarHBondContact O-CB 3.22Å; D305-N309 PolarHBondContact O-N 3.29Å; D305-N309 PolarHBondContact O-ND2 2.85Å
306	Q	98.3	Very high	96.2	Very high	100 Å²	100	63.3 Å²	63.3	47%	0.467	34%	0.336	S	S	.	.	H	α-helix	trans	-65	-36.5	172.2	-71.6	162.9	-45.2	0	0	111.3	L302 T303 N309 H310	L302-Q306 HydrophobicContact CB-CB 4.19Å; L302-Q306 HydrophobicContact CD2-CB 3.99Å; T303-Q306 PolarHBondContact O-N 3.28Å; T303-Q306 VanDerWaalsContact OG1-CD 3.28Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.43Å; T303-Q306 PolarHBondContact OG1-N 3.09Å; T303-Q306 PolarHBondContact OG1-OE1 3.46Å; Q306-N309 PolarHBondContact O-N 3Å; Q306-H310 PolarHBondContact O-N 2.81Å
307	I	98.4	Very high	95.8	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-58.7	-51.7	172.4	-68	169.8	0	0	0	110.3	I169 I242 L245 L289 I293 L302 T303 L304 D305 N309 H310 F313	I169-I307 HydrophobicContact CD1-CB 4.47Å; I169-I307 HydrophobicContact CD1-CG2 3.54Å; I242-I307 HydrophobicContact CG2-CD1 4.24Å; L245-I307 HydrophobicContact CD2-CD1 4.22Å; L289-I307 HydrophobicContact CD1-CG1 4.33Å; L289-I307 HydrophobicContact CD1-CG2 4.27Å; I293-I307 HydrophobicContact CD1-CD1 3.8Å; I293-I307 HydrophobicContact CD1-CG1 3.95Å; I293-I307 HydrophobicContact CD1-CG2 4.35Å; I293-I307 HydrophobicContact CG1-CD1 3.76Å; I293-I307 HydrophobicContact CG1-CG1 3.88Å; L302-I307 HydrophobicContact CB-CG1 3.77Å; L302-I307 WeakPolarHBondContact O-CD1 3.35Å; T303-I307 WeakPolarHBondContact O-CG1 3.36Å; T303-I307 PolarHBondContact O-N 3.22Å; L304-I307 HydrophobicContact CD2-CD1 4.48Å; D305-I307 VanDerWaalsContact C-N 3.3Å; D305-I307 PolarHBondContact O-N 2.97Å; I307-N309 VanDerWaalsContact C-N 3.31Å; I307-N309 PolarHBondContact O-N 2.93Å; I307-H310 VanDerWaalsContact O-CB 3.27Å; I307-H310 WeakPolarHBondContact O-CB 3.28Å; I307-H310 PolarHBondContact O-N 3.27Å; I307-H310 VanDerWaalsContact O-N 3.15Å; I307-F313 HydrophobicContact CG2-CE2 3.82Å; I307-F313 HydrophobicContact CG2-CZ 4.42Å; I307-F313 WeakPolarHBondContact O-CD2 3.23Å; I307-F313 VanDerWaalsContact O-CE2 3.31Å; I307-F313 WeakPolarHBondContact O-CE2 3.47Å
308	L	97.3	Very high	95.5	Very high	49 Å²	49	57.8 Å²	57.8	26%	0.257	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-32.6	179.9	-74	174	0	0	0	113.7	R166 I169 L304 D305 H310 F313	R166-L308 HydrophobicContact CG-CD2 3.98Å; I169-L308 HydrophobicContact CB-CD2 4.36Å; I169-L308 HydrophobicContact CD1-CD2 3.79Å; I169-L308 HydrophobicContact CD1-CG 4.13Å; I169-L308 HydrophobicContact CG2-CD1 3.7Å; I169-L308 HydrophobicContact CG2-CD2 4.19Å; I169-L308 HydrophobicContact CG2-CG 3.84Å; L304-L308 WeakPolarHBondContact O-CG 3.3Å; L304-L308 PolarHBondContact O-N 3.05Å; D305-L308 PolarHBondContact O-N 3.17Å; L308-H310 VanDerWaalsContact C-N 3.32Å; L308-F313 WeakPolarHBondContact O-CB 3.37Å
309	N	97.5	Very high	95.3	Very high	114 Å²	114	56.4 Å²	56.4	61%	0.61	30%	0.301	S	S	*	.	H	α-helix	trans	-81.5	-10.1	176.9	-72.7	-62	0	0	0	113.4	D305 Q306 I307 T314	D305-N309 WeakPolarHBondContact O-CB 3.22Å; D305-N309 PolarHBondContact O-N 3.29Å; D305-N309 PolarHBondContact O-ND2 2.85Å; Q306-N309 PolarHBondContact O-N 3Å; I307-N309 VanDerWaalsContact C-N 3.31Å; I307-N309 PolarHBondContact O-N 2.93Å; N309-T314 VanDerWaalsContact O-CG2 3.27Å; N309-T314 WeakPolarHBondContact O-CG2 3.22Å; N309-T314 PolarHBondContact O-OG1 3.28Å
310	H	98.2	Very high	95	Very high	39 Å²	39	58.7 Å²	58.7	18%	0.181	31%	0.306	C	S	.	.	S	Bend	trans	-61.8	149.4	-177.7	-170	-108.3	0	0	0	112.6	A285 L289 Q306 I307 L308 F312 F313 T314	A285-H310 PolarHBondContact O-CE1 3.05Å; A285-H310 VanDerWaalsContact O-CE1 3.23Å; L289-H310 HydrophobicContact CD1-CB 3.91Å; Q306-H310 PolarHBondContact O-N 2.81Å; I307-H310 VanDerWaalsContact O-CB 3.27Å; I307-H310 WeakPolarHBondContact O-CB 3.28Å; I307-H310 PolarHBondContact O-N 3.27Å; I307-H310 VanDerWaalsContact O-N 3.15Å; L308-H310 VanDerWaalsContact C-N 3.32Å; H310-F312 PolarHBondContact ND1-N 2.81Å; H310-F312 PolarHBondContact O-N 3.06Å; H310-F313 PolarHBondContact O-N 3.26Å; H310-T314 PolarHBondContact O-N 3.26Å; H310-T314 PolarHBondContact O-OG1 2.78Å
311	Q	96.3	Very high	94.7	Very high	102 Å²	102	61.7 Å²	61.7	48%	0.477	32%	0.315	S	S	.	.	H	α-helix	trans	-55.5	-28.6	-175.7	-59.7	-167.6	44.6	0	0	113.4	F313 T314 K315	Q311-F313 VanDerWaalsContact C-N 3.28Å; Q311-F313 PolarHBondContact O-N 2.89Å; Q311-T314 WeakPolarHBondContact CA-OG1 3.49Å; Q311-K315 HydrophobicContact CB-CD 4.21Å; Q311-K315 HydrophobicContact CB-CG 4.42Å; Q311-K315 HydrophobicContact CG-CD 4.31Å; Q311-K315 WeakPolarHBondContact O-CB 3.49Å; Q311-K315 PolarHBondContact O-N 2.8Å; Q311-K315 VanDerWaalsContact O-N 3.13Å; Q311-K315 VanDerWaalsContact OE1-CE 3.27Å
312	F	97	Very high	94.5	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.009	32%	0.315	C	S	.	.	H	α-helix	trans	-52.1	-44.6	172.3	178.1	-106.6	0	0	0	112.1	D158 V161 R162 L165 M249 M253 A285 A286 L289 H310	D158-F312 VanDerWaalsContact OD2-CE2 3.25Å; D158-F312 WeakPolarHBondContact OD2-CE2 3.5Å; V161-F312 HydrophobicContact CG1-CE1 4.49Å; V161-F312 HydrophobicContact CG1-CZ 4.18Å; R162-F312 VanDerWaalsContact CD-O 3.25Å; R162-F312 WeakPolarHBondContact CD-O 3.34Å; R162-F312 HydrophobicContact CG-CD1 3.89Å; R162-F312 HydrophobicContact CG-CE1 3.39Å; R162-F312 HydrophobicContact CG-CZ 3.82Å; R162-F312 PolarHBondContact NH1-O 2.76Å; L165-F312 HydrophobicContact CD1-CE1 4.4Å; M249-F312 HydrophobicContact CE-CD1 4.13Å; M249-F312 HydrophobicContact CE-CD2 4.26Å; M249-F312 HydrophobicContact CE-CE1 3.84Å; M249-F312 HydrophobicContact CE-CE2 3.98Å; M249-F312 HydrophobicContact CE-CG 4.33Å; M249-F312 HydrophobicContact CE-CZ 3.77Å; M253-F312 HydrophobicContact CE-CE2 4.11Å; M253-F312 HydrophobicContact CE-CZ 4.42Å; M253-F312 HydrophobicContact SD-CE2 4.35Å; M253-F312 HydrophobicContact SD-CZ 4.26Å; A285-F312 HydrophobicContact CB-CB 4.26Å; A286-F312 HydrophobicContact CB-CD2 3.95Å; A286-F312 HydrophobicContact CB-CE2 3.86Å; L289-F312 HydrophobicContact CB-CB 4.43Å; L289-F312 HydrophobicContact CD2-CB 3.8Å; L289-F312 HydrophobicContact CD2-CD1 3.57Å; L289-F312 HydrophobicContact CD2-CE1 4.4Å; L289-F312 HydrophobicContact CD2-CG 3.89Å; H310-F312 PolarHBondContact ND1-N 2.81Å; H310-F312 PolarHBondContact O-N 3.06Å
313	F	95.9	Very high	94.1	Very high	16 Å²	16	62 Å²	62	7%	0.07	32%	0.32	C	S	.	.	H	α-helix	trans	-88	-43.9	177.3	-65.2	-85.7	0	0	0	112.9	R162 L165 R166 I169 L289 I307 L308 H310 Q311	R162-F313 HydrophobicContact CB-CD1 4.06Å; R162-F313 HydrophobicContact CB-CE1 4.13Å; R162-F313 HydrophobicContact CG-CD1 3.74Å; R162-F313 HydrophobicContact CG-CE1 3.99Å; R162-F313 HydrophobicContact CG-CG 4.47Å; L165-F313 HydrophobicContact CB-CE1 4.07Å; L165-F313 HydrophobicContact CB-CZ 3.81Å; L165-F313 HydrophobicContact CD1-CZ 4.11Å; R166-F313 HydrophobicContact CG-CD1 3.86Å; R166-F313 HydrophobicContact CG-CE1 3.8Å; I169-F313 HydrophobicContact CD1-CZ 4.24Å; L289-F313 HydrophobicContact CD2-CD2 4.23Å; L289-F313 HydrophobicContact CD2-CE2 3.69Å; I307-F313 HydrophobicContact CG2-CE2 3.82Å; I307-F313 HydrophobicContact CG2-CZ 4.42Å; I307-F313 WeakPolarHBondContact O-CD2 3.23Å; I307-F313 VanDerWaalsContact O-CE2 3.31Å; I307-F313 WeakPolarHBondContact O-CE2 3.47Å; L308-F313 WeakPolarHBondContact O-CB 3.37Å; H310-F313 PolarHBondContact O-N 3.26Å; Q311-F313 VanDerWaalsContact C-N 3.28Å; Q311-F313 PolarHBondContact O-N 2.89Å
314	T	92.8	Very high	93.7	Very high	85 Å²	85	62.3 Å²	62.3	52%	0.521	32%	0.323	S	S	.	.	H	α-helix	trans	-79.9	-24.1	-166	50.5	0	0	0	0	114.5	N309 H310 Q311	N309-T314 VanDerWaalsContact O-CG2 3.27Å; N309-T314 WeakPolarHBondContact O-CG2 3.22Å; N309-T314 PolarHBondContact O-OG1 3.28Å; H310-T314 PolarHBondContact O-N 3.26Å; H310-T314 PolarHBondContact O-OG1 2.78Å; Q311-T314 WeakPolarHBondContact CA-OG1 3.49Å
315	K	86.3	Confident	93	Very high	159 Å²	159	64.3 Å²	64.3	69%	0.691	34%	0.338	S	S	*	.	S	Bend	trans	-102.1	-2.8	-180	-64.6	-171.4	175.8	178.2	0	114.7	Q311	Q311-K315 HydrophobicContact CB-CD 4.21Å; Q311-K315 HydrophobicContact CB-CG 4.42Å; Q311-K315 HydrophobicContact CG-CD 4.31Å; Q311-K315 WeakPolarHBondContact O-CB 3.49Å; Q311-K315 PolarHBondContact O-N 2.8Å; Q311-K315 VanDerWaalsContact O-N 3.13Å; Q311-K315 VanDerWaalsContact OE1-CE 3.27Å
316	A	86.4	Confident	92.7	Very high	39 Å²	39	60.8 Å²	60.8	32%	0.322	32%	0.32	S	S	.	.	S	Bend	trans	-126.6	154.6	-169.5	0	0	0	0	0	113.2	R162 T318	R162-A316 VanDerWaalsContact CZ-CB 3.48Å; A316-T318 PolarHBondContact O-N 2.85Å
317	F	88.8	Confident	92	Very high	59 Å²	59	57 Å²	57	26%	0.259	30%	0.304	S	S	.	.			trans	-63.4	132.2	178.8	175.4	-108.1	0	0	0	111.6	P159 R162 P319 L333 L335 P336	P159-F317 HydrophobicContact CB-CD1 4.31Å; R162-F317 PolarHBondContact NE-O 2.91Å; R162-F317 PolarHBondContact NH2-O 3.22Å; F317-P319 HydrophobicContact CE1-CB 4.01Å; F317-P319 HydrophobicContact CE1-CG 4.5Å; F317-P319 HydrophobicContact CZ-CB 3.96Å; F317-L333 HydrophobicContact CE1-CB 4.24Å; F317-L335 HydrophobicContact CB-CD2 3.73Å; F317-L335 HydrophobicContact CD1-CD2 4.13Å; F317-L335 HydrophobicContact CG-CD2 3.93Å; F317-P336 HydrophobicContact CD2-CG 4Å; F317-P336 HydrophobicContact CE2-CG 3.87Å
318	T	91.2	Very high	90.9	Very high	21 Å²	21	61.4 Å²	61.4	13%	0.129	33%	0.331	C	S	.	.			trans	-123.8	128.8	166.5	-50.1	0	0	0	0	107.7	R162 A316	R162-T318 HydrophobicContact CB-CG2 3.85Å; R162-T318 WeakPolarHBondContact CD-OG1 3.37Å; A316-T318 PolarHBondContact O-N 2.85Å
319	P	91.8	Very high	89.8	Confident	8 Å²	8	62.8 Å²	62.8	5%	0.052	34%	0.341	C	S	.	.			trans	-72.8	149.1	174.7	30.9	-34.7	0	0	0	111.2	P159 Y163 F317 L322 L333	P159-P319 WeakPolarHBondContact O-CD 3.33Å; Y163-P319 VanDerWaalsContact CD2-O 3.3Å; Y163-P319 WeakPolarHBondContact CD2-O 3.44Å; F317-P319 HydrophobicContact CE1-CB 4.01Å; F317-P319 HydrophobicContact CE1-CG 4.5Å; F317-P319 HydrophobicContact CZ-CB 3.96Å; P319-L322 HydrophobicContact CB-CD2 4.48Å; P319-L322 HydrophobicContact CG-CD2 3.67Å; P319-L322 HydrophobicContact CG-CG 4.45Å; P319-L333 HydrophobicContact CB-CD2 4.3Å; P319-L333 HydrophobicContact CG-CD1 4.26Å; P319-L333 HydrophobicContact CG-CD2 4.38Å
320	D	90.4	Very high	89	Confident	147 Å²	147	61.8 Å²	61.8	79%	0.786	34%	0.339	S	S	*	.	S	Bend	trans	-78.7	-22.3	175.1	-64.5	-54.9	0	0	0	112.7
321	K	91.7	Very high	88.1	Confident	147 Å²	147	60.6 Å²	60.6	64%	0.639	34%	0.335	S	S	*	.	S	Bend	trans	-147.9	146.5	171.4	-65.7	-170.8	178.2	-172.6	0	109.7
322	L	93.5	Very high	87.2	Confident	9 Å²	9	64.2 Å²	64.2	5%	0.047	35%	0.352	C	S	.	.			trans	-92.9	150.8	164.7	-68.6	178.4	0	0	0	110.6	E160 Y163 Y164 M196 P319 L333	E160-L322 HydrophobicContact CB-CD1 4.23Å; E160-L322 HydrophobicContact CG-CD1 3.99Å; E160-L322 HydrophobicContact CG-CD2 3.88Å; Y163-L322 HydrophobicContact CD1-CB 4.44Å; Y163-L322 HydrophobicContact CD1-CD1 3.4Å; Y163-L322 HydrophobicContact CD1-CG 3.55Å; Y163-L322 HydrophobicContact CE1-CB 4.2Å; Y163-L322 HydrophobicContact CE1-CD1 3.85Å; Y163-L322 HydrophobicContact CE1-CG 3.8Å; Y163-L322 HydrophobicContact CG-CD1 4.16Å; Y163-L322 HydrophobicContact CG-CG 4.01Å; Y164-L322 HydrophobicContact CE1-CD1 4.4Å; Y164-L322 HydrophobicContact CE2-CD1 3.72Å; M196-L322 HydrophobicContact CB-CB 4.38Å; M196-L322 HydrophobicContact CE-CB 3.87Å; M196-L322 HydrophobicContact CE-CD1 4.39Å; M196-L322 WeakPolarHBondContact CG-O 3.25Å; P319-L322 HydrophobicContact CB-CD2 4.48Å; P319-L322 HydrophobicContact CG-CD2 3.67Å; P319-L322 HydrophobicContact CG-CG 4.45Å; L322-L333 HydrophobicContact CD2-CD1 4.34Å; L322-L333 HydrophobicContact CD2-CD2 4.07Å
323	P	90.5	Very high	86.3	Confident	49 Å²	49	66 Å²	66	32%	0.318	36%	0.361	S	S	.	.			trans	-71.8	152.7	170.6	31.3	-35.6	0	0	0	111.3	M196 S325 S326 P331	M196-P323 WeakPolarHBondContact CE-O 3.11Å; P323-S325 PolarHBondContact O-N 3.04Å; P323-S326 WeakPolarHBondContact CD-OG 3.26Å; P323-S326 WeakPolarHBondContact O-CB 3.13Å; P323-S326 PolarHBondContact O-N 3.16Å; P323-S326 PolarHBondContact O-OG 3.49Å; P323-P331 HydrophobicContact CG-CB 3.95Å
324	P	89.6	Confident	84.7	Confident	74 Å²	74	71.6 Å²	71.6	48%	0.481	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-50.1	-28.8	172.6	-33.9	40	0	0	0	115.8	S326	P324-S326 VanDerWaalsContact C-N 3.32Å; P324-S326 PolarHBondContact O-N 2.7Å
325	S	84.2	Confident	83	Confident	55 Å²	55	73.8 Å²	73.8	39%	0.385	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-67.9	-25.5	179.1	46.7	0	0	0	0	113.7	P323 C327 V328 T329	P323-S325 PolarHBondContact O-N 3.04Å; S325-C327 PolarHBondContact O-N 2.87Å; S325-V328 WeakPolarHBondContact O-CG2 3.12Å; S325-V328 PolarHBondContact O-N 3.38Å; S325-T329 PolarHBondContact O-N 3.3Å; S325-T329 PolarHBondContact O-OG1 2.92Å
326	S	90.3	Very high	81.3	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-56.2	-18.8	176.9	-65.5	0	0	0	0	114.1	R153 P323 P324 V328 T329 P331	R153-S326 PolarHBondContact NH1-O 2.82Å; P323-S326 WeakPolarHBondContact CD-OG 3.26Å; P323-S326 WeakPolarHBondContact O-CB 3.13Å; P323-S326 PolarHBondContact O-N 3.16Å; P323-S326 PolarHBondContact O-OG 3.49Å; P324-S326 VanDerWaalsContact C-N 3.32Å; P324-S326 PolarHBondContact O-N 2.7Å; S326-V328 PolarHBondContact O-N 3.08Å; S326-T329 WeakPolarHBondContact CA-O 3.41Å; S326-P331 WeakPolarHBondContact OG-CB 3.38Å; S326-P331 WeakPolarHBondContact OG-CG 3.5Å
327	C	83.1	Confident	79.4	Confident	20 Å²	20	69.2 Å²	69.2	14%	0.135	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-63.4	-20.9	172.3	-68.2	0	0	0	0	114.2	I149 M196 S325	I149-C327 HydrophobicContact CD1-CB 4.36Å; I149-C327 HydrophobicContact CG1-CB 4.2Å; M196-C327 VanDerWaalsContact SD-SG 3.68Å; S325-C327 PolarHBondContact O-N 2.87Å
328	V	76.8	Confident	77.4	Confident	95 Å²	95	71.9 Å²	71.9	58%	0.576	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.5	-33.2	-172.2	-69.9	0	0	0	0	114.2	A152 R153 S325 S326	A152-V328 HydrophobicContact CB-CG1 4.27Å; R153-V328 VanDerWaalsContact CD-C 3.49Å; R153-V328 VanDerWaalsContact CD-O 3.3Å; R153-V328 WeakPolarHBondContact CD-O 3.3Å; S325-V328 WeakPolarHBondContact O-CG2 3.12Å; S325-V328 PolarHBondContact O-N 3.38Å; S326-V328 PolarHBondContact O-N 3.08Å
329	T	73.4	Confident	74.9	Confident	78 Å²	78	73.2 Å²	73.2	48%	0.479	42%	0.42	S	S	.	.	S	Bend	trans	-115.8	161.6	176.1	59.1	0	0	0	0	111.8	R153 S325 S326	R153-T329 PolarHBondContact NH1-O 3.01Å; S325-T329 PolarHBondContact O-N 3.3Å; S325-T329 PolarHBondContact O-OG1 2.92Å; S326-T329 WeakPolarHBondContact CA-O 3.41Å
330	V	81.4	Confident	72.4	Confident	93 Å²	93	79.7 Å²	79.7	56%	0.564	45%	0.448	S	S	*	.			trans	-70.5	130.1	172.1	-176.5	0	0	0	0	109.1	T157	T157-V330 HydrophobicContact CG2-CG1 3.87Å
331	P	79.1	Confident	70.3	Confident	14 Å²	14	79.4 Å²	79.4	9%	0.091	44%	0.44	C	S	.	.			trans	-81.2	135.5	-178.9	29.7	-33.8	0	0	0	113.6	E160 P323 S326 L333	E160-P331 VanDerWaalsContact CD-CD 3.48Å; E160-P331 HydrophobicContact CG-CG 3.87Å; E160-P331 VanDerWaalsContact OE1-CD 3.24Å; E160-P331 WeakPolarHBondContact OE1-CD 3.31Å; E160-P331 WeakPolarHBondContact OE1-CG 3.36Å; P323-P331 HydrophobicContact CG-CB 3.95Å; S326-P331 WeakPolarHBondContact OG-CB 3.38Å; S326-P331 WeakPolarHBondContact OG-CG 3.5Å; P331-L333 VanDerWaalsContact C-N 3.29Å; P331-L333 HydrophobicContact CB-CD2 3.97Å; P331-L333 HydrophobicContact CB-CG 4Å; P331-L333 HydrophobicContact CG-CD1 4.11Å; P331-L333 HydrophobicContact CG-CD2 4.2Å; P331-L333 HydrophobicContact CG-CG 3.89Å; P331-L333 PolarHBondContact O-N 3.1Å
332	E	76.8	Confident	67.9	Low	179 Å²	179	79 Å²	79	84%	0.836	44%	0.438	S	S	*	.			trans	-71	80.5	166.7	-70.7	180	-158.7	0	0	111.6	N334	E332-N334 VanDerWaalsContact C-N 3.32Å; E332-N334 PolarHBondContact O-N 2.87Å; E332-N334 PolarHBondContact O-ND2 3.07Å
333	L	78.9	Confident	65.3	Low	40 Å²	40	85.3 Å²	85.3	21%	0.209	47%	0.465	C	S	.	.			trans	-78.7	80.9	-179	-65.3	-177.8	0	0	0	111.7	P159 E160 F317 P319 L322 P331 L335	P159-L333 HydrophobicContact CB-CD1 3.64Å; P159-L333 HydrophobicContact CG-CD1 4Å; E160-L333 HydrophobicContact CG-CD1 4.49Å; F317-L333 HydrophobicContact CE1-CB 4.24Å; P319-L333 HydrophobicContact CB-CD2 4.3Å; P319-L333 HydrophobicContact CG-CD1 4.26Å; P319-L333 HydrophobicContact CG-CD2 4.38Å; L322-L333 HydrophobicContact CD2-CD1 4.34Å; L322-L333 HydrophobicContact CD2-CD2 4.07Å; P331-L333 VanDerWaalsContact C-N 3.29Å; P331-L333 HydrophobicContact CB-CD2 3.97Å; P331-L333 HydrophobicContact CB-CG 4Å; P331-L333 HydrophobicContact CG-CD1 4.11Å; P331-L333 HydrophobicContact CG-CD2 4.2Å; P331-L333 HydrophobicContact CG-CG 3.89Å; P331-L333 PolarHBondContact O-N 3.1Å; L333-L335 PolarHBondContact O-N 2.74Å
334	N	62.2	Low	63.1	Low	133 Å²	133	86.9 Å²	86.9	71%	0.711	47%	0.474	S	S	*	.			trans	-45.9	104.2	172.4	-87.8	-92.8	0	0	0	112.1	E332	E332-N334 VanDerWaalsContact C-N 3.32Å; E332-N334 PolarHBondContact O-N 2.87Å; E332-N334 PolarHBondContact O-ND2 3.07Å
335	L	57	Low	60.9	Low	131 Å²	131	91.4 Å²	91.4	69%	0.686	49%	0.486	S	S	*	.			trans	-61.1	126.1	175.8	-75.8	168.2	0	0	0	109.9	F317 L333 S337	F317-L335 HydrophobicContact CB-CD2 3.73Å; F317-L335 HydrophobicContact CD1-CD2 4.13Å; F317-L335 HydrophobicContact CG-CD2 3.93Å; L333-L335 PolarHBondContact O-N 2.74Å; L335-S337 PolarHBondContact O-N 3.48Å
336	P	50.8	Low	58.6	Low	55 Å²	55	93.2 Å²	93.2	36%	0.357	49%	0.49	S	S	.	.			trans	-70.3	101	179.1	27.6	-33.5	0	0	0	109.3	F317	F317-P336 HydrophobicContact CD2-CG 4Å; F317-P336 HydrophobicContact CE2-CG 3.87Å
337	S	45.8	Very low	56.1	Low	47 Å²	47	95.3 Å²	95.3	33%	0.329	51%	0.507	S	S	.	.			trans	-53.6	145.3	-176.1	70.5	0	0	0	0	111.8	L335 A339 K340 K341	L335-S337 PolarHBondContact O-N 3.48Å; S337-A339 PolarHBondContact O-N 3.27Å; S337-A339 VanDerWaalsContact O-N 3.16Å; S337-K340 PolarHBondContact O-N 2.96Å; S337-K340 PolarHBondContact OG-N 3.5Å; S337-K341 PolarHBondContact O-N 3.46Å
338	P	47.9	Very low	54.3	Low	114 Å²	114	102.2 Å²	102.2	74%	0.74	54%	0.535	S	S	*	.	H	α-helix	trans	-52.4	-39.8	177.7	-27.8	35.5	0	0	0	112.1	K340 K341 F342	P338-K340 PolarHBondContact O-N 3.11Å; P338-K341 PolarHBondContact O-N 3.49Å; P338-F342 PolarHBondContact O-N 3.07Å
339	A	37.6	Very low	52.6	Low	49 Å²	49	102.4 Å²	102.4	41%	0.405	54%	0.54	S	S	.	.	H	α-helix	trans	-55.8	-48	173.3	0	0	0	0	0	113.1	S337 K341 F342 F343	S337-A339 PolarHBondContact O-N 3.27Å; S337-A339 VanDerWaalsContact O-N 3.16Å; A339-K341 VanDerWaalsContact C-N 3.3Å; A339-K341 PolarHBondContact O-N 3.3Å; A339-F342 CarbonylContact O-C 3.58Å; A339-F342 WeakPolarHBondContact O-CA 3.37Å; A339-F342 WeakPolarHBondContact O-CB 3.27Å; A339-F342 PolarHBondContact O-N 3.33Å; A339-F343 HydrophobicContact CB-CD2 4.3Å; A339-F343 HydrophobicContact CB-CE2 4.28Å; A339-F343 WeakPolarHBondContact O-CD2 3.26Å; A339-F343 PolarHBondContact O-N 3.25Å
340	K	40.5	Very low	51.1	Low	144 Å²	144	104.9 Å²	104.9	63%	0.626	55%	0.55	S	S	*	*	H	α-helix	trans	-61.1	-36.3	178.7	-82.5	-179.2	176.4	175.7	0	112.4	S337 P338 T344	S337-K340 PolarHBondContact O-N 2.96Å; S337-K340 PolarHBondContact OG-N 3.5Å; P338-K340 PolarHBondContact O-N 3.11Å; K340-T344 WeakPolarHBondContact O-CB 3.04Å; K340-T344 PolarHBondContact O-N 2.96Å; K340-T344 PolarHBondContact O-OG1 2.88Å
341	K	45.2	Very low	49.4	Very low	142 Å²	142	109 Å²	109	62%	0.617	56%	0.56	S	S	*	*	H	α-helix	trans	-67.7	-40	172	-74	-176.9	176.8	177.7	0	112	S337 P338 A339 K345	S337-K341 PolarHBondContact O-N 3.46Å; P338-K341 PolarHBondContact O-N 3.49Å; A339-K341 VanDerWaalsContact C-N 3.3Å; A339-K341 PolarHBondContact O-N 3.3Å; K341-K345 WeakPolarHBondContact O-CB 3.45Å; K341-K345 PolarHBondContact O-N 3.45Å; K341-K345 VanDerWaalsContact O-N 3.07Å
342	F	41.1	Very low	47.5	Very low	139 Å²	139	110.8 Å²	110.8	61%	0.61	58%	0.582	S	S	*	*	H	α-helix	trans	-63.9	-51	177	-141	-96.5	0	0	0	111.8	P338 A339 T344 K345 M346	P338-F342 PolarHBondContact O-N 3.07Å; A339-F342 CarbonylContact O-C 3.58Å; A339-F342 WeakPolarHBondContact O-CA 3.37Å; A339-F342 WeakPolarHBondContact O-CB 3.27Å; A339-F342 PolarHBondContact O-N 3.33Å; F342-T344 PolarHBondContact O-N 3.02Å; F342-K345 PolarHBondContact O-N 2.88Å; F342-K345 VanDerWaalsContact O-N 3.12Å; F342-M346 HydrophobicContact CD1-CE 4.28Å; F342-M346 HydrophobicContact CD1-SD 4.19Å; F342-M346 HydrophobicContact CE1-CE 3.96Å; F342-M346 HydrophobicContact CE1-SD 4.46Å; F342-M346 PolarHBondContact O-N 3.39Å
343	F	38.8	Very low	45.7	Very low	141 Å²	141	111.7 Å²	111.7	62%	0.618	58%	0.583	S	S	*	*	H	α-helix	trans	-61.3	-38.9	175.9	-76.9	-64.3	0	0	0	112.7	A339 K345 M346 A347	A339-F343 HydrophobicContact CB-CD2 4.3Å; A339-F343 HydrophobicContact CB-CE2 4.28Å; A339-F343 WeakPolarHBondContact O-CD2 3.26Å; A339-F343 PolarHBondContact O-N 3.25Å; F343-K345 VanDerWaalsContact C-N 3.31Å; F343-K345 PolarHBondContact O-N 3.42Å; F343-M346 PolarHBondContact O-N 3.22Å; F343-A347 VanDerWaalsContact O-CB 3.28Å; F343-A347 WeakPolarHBondContact O-CB 3.41Å; F343-A347 PolarHBondContact O-N 3.4Å
344	T	45	Very low	43.4	Very low	82 Å²	82	121.8 Å²	121.8	50%	0.503	62%	0.618	S	S	.	*	H	α-helix	trans	-65.7	-34.8	175.4	-54.6	0	0	0	0	111.8	K340 F342 K348	K340-T344 WeakPolarHBondContact O-CB 3.04Å; K340-T344 PolarHBondContact O-N 2.96Å; K340-T344 PolarHBondContact O-OG1 2.88Å; F342-T344 PolarHBondContact O-N 3.02Å; T344-K348 WeakPolarHBondContact O-CG 3.36Å; T344-K348 PolarHBondContact O-N 3.37Å
345	K	43.8	Very low	42.2	Very low	168 Å²	168	125.5 Å²	125.5	73%	0.73	63%	0.628	S	S	*	*	H	α-helix	trans	-72.9	-41.9	175.7	-164.2	176.9	179	-175.8	0	111.5	K341 F342 F343 S349	K341-K345 WeakPolarHBondContact O-CB 3.45Å; K341-K345 PolarHBondContact O-N 3.45Å; K341-K345 VanDerWaalsContact O-N 3.07Å; F342-K345 PolarHBondContact O-N 2.88Å; F342-K345 VanDerWaalsContact O-N 3.12Å; F343-K345 VanDerWaalsContact C-N 3.31Å; F343-K345 PolarHBondContact O-N 3.42Å; K345-S349 WeakPolarHBondContact O-CB 3.3Å; K345-S349 PolarHBondContact O-N 3.41Å; K345-S349 VanDerWaalsContact O-N 3.08Å
346	M	35.5	Very low	40.8	Very low	94 Å²	94	124.9 Å²	124.9	46%	0.463	64%	0.635	S	S	.	*	H	α-helix	trans	-61.4	-48.6	172	-81.6	-177.5	156.2	0	0	112	F342 F343 K348 S349 L350	F342-M346 HydrophobicContact CD1-CE 4.28Å; F342-M346 HydrophobicContact CD1-SD 4.19Å; F342-M346 HydrophobicContact CE1-CE 3.96Å; F342-M346 HydrophobicContact CE1-SD 4.46Å; F342-M346 PolarHBondContact O-N 3.39Å; F343-M346 PolarHBondContact O-N 3.22Å; M346-K348 VanDerWaalsContact C-N 3.32Å; M346-K348 PolarHBondContact O-N 2.83Å; M346-S349 CarbonylContact O-C 3.42Å; M346-S349 WeakPolarHBondContact O-CA 3.48Å; M346-S349 WeakPolarHBondContact O-CB 3.37Å; M346-S349 PolarHBondContact O-N 3.05Å; M346-L350 HydrophobicContact CB-CD1 4.37Å; M346-L350 WeakPolarHBondContact O-CB 3.46Å; M346-L350 WeakPolarHBondContact O-CG 3.2Å; M346-L350 PolarHBondContact O-N 3.4Å
347	A	37.8	Very low	39.8	Very low	44 Å²	44	131.8 Å²	131.8	36%	0.364	66%	0.659	S	S	.	*	H	α-helix	trans	-59.2	-41.8	179.7	0	0	0	0	0	112.1	F343 S349 L350 F351	F343-A347 VanDerWaalsContact O-CB 3.28Å; F343-A347 WeakPolarHBondContact O-CB 3.41Å; F343-A347 PolarHBondContact O-N 3.4Å; A347-S349 VanDerWaalsContact C-N 3.27Å; A347-S349 PolarHBondContact O-N 2.99Å; A347-L350 PolarHBondContact O-N 3.35Å; A347-F351 HydrophobicContact CB-CD2 4.46Å; A347-F351 WeakPolarHBondContact O-CD2 3.15Å; A347-F351 PolarHBondContact O-N 3.01Å
348	K	45.4	Very low	38.9	Very low	164 Å²	164	135.2 Å²	135.2	71%	0.713	68%	0.678	S	S	*	*	H	α-helix	trans	-67.1	-24.6	172.7	-73.8	-175.2	176.7	-174	0	113.7	T344 M346 G352	T344-K348 WeakPolarHBondContact O-CG 3.36Å; T344-K348 PolarHBondContact O-N 3.37Å; M346-K348 VanDerWaalsContact C-N 3.32Å; M346-K348 PolarHBondContact O-N 2.83Å; K348-G352 WeakPolarHBondContact O-CA 3.48Å
349	S	41.3	Very low	37.8	Very low	99 Å²	99	136.7 Å²	136.7	69%	0.692	68%	0.68	S	S	*	*	H	α-helix	trans	-84.5	-30	175.7	-164.3	0	0	0	0	113.6	K345 M346 A347	K345-S349 WeakPolarHBondContact O-CB 3.3Å; K345-S349 PolarHBondContact O-N 3.41Å; K345-S349 VanDerWaalsContact O-N 3.08Å; M346-S349 CarbonylContact O-C 3.42Å; M346-S349 WeakPolarHBondContact O-CA 3.48Å; M346-S349 WeakPolarHBondContact O-CB 3.37Å; M346-S349 PolarHBondContact O-N 3.05Å; A347-S349 VanDerWaalsContact C-N 3.27Å; A347-S349 PolarHBondContact O-N 2.99Å
350	L	40.3	Very low	37.3	Very low	131 Å²	131	141.5 Å²	141.5	69%	0.686	70%	0.699	S	S	*	*	H	α-helix	trans	-90.3	-42.2	-175.7	-69.1	168.7	0	0	0	112.3	M346 A347	M346-L350 HydrophobicContact CB-CD1 4.37Å; M346-L350 WeakPolarHBondContact O-CB 3.46Å; M346-L350 WeakPolarHBondContact O-CG 3.2Å; M346-L350 PolarHBondContact O-N 3.4Å; A347-L350 PolarHBondContact O-N 3.35Å
351	F	45.8	Very low	36.6	Very low	178 Å²	178	140.3 Å²	140.3	78%	0.781	71%	0.708	S	S	*	*	S	Bend	trans	-96.6	2.4	180	-59.6	-77.4	0	0	0	113.1	A347 K353	A347-F351 HydrophobicContact CB-CD2 4.46Å; A347-F351 WeakPolarHBondContact O-CD2 3.15Å; A347-F351 PolarHBondContact O-N 3.01Å; F351-K353 VanDerWaalsContact C-N 3.26Å; F351-K353 PolarHBondContact O-N 3.21Å
352	G	39.8	Very low	35.6	Very low	53 Å²	53	142 Å²	142	55%	0.546	72%	0.718	S	S	.	*			trans	-77.4	23.3	-171.8	0	0	0	0	0	117.1	K348	K348-G352 WeakPolarHBondContact O-CA 3.48Å
353	K	38.3	Very low	34.8	Very low	197 Å²	197	139.3 Å²	139.3	86%	0.857	72%	0.716	S	S	*	*			trans	-161.8	94.3	178.7	-112.3	169.4	-172.4	178.5	0	114.6	F351	F351-K353 VanDerWaalsContact C-N 3.26Å; F351-K353 PolarHBondContact O-N 3.21Å
354	R	31.8	Very low	34.2	Very low	252 Å²	252	140.7 Å²	140.7	95%	0.951	72%	0.724	S	S	*	*			trans	-175.4	148.1	132.6	-101.9	165.8	-170.7	-170.6	2.8	109.9
355	K	36.4	Very low	33.4	Very low	212 Å²	212	146.1 Å²	146.1	92%	0.922	74%	0.744	S	S	*	*			trans	-142.9	108	177.8	-150.5	-173.9	-170.6	-172.6	0	107.5
356	S	28.7	Very low	32.9	Very low	118 Å²	118	149.9 Å²	149.9	83%	0.825	75%	0.753	S	S	*	*			trans	-144.8	136	176.4	46.8	0	0	0	0	110
357	K	28.3	Very low	32.6	Very low	199 Å²	199	151.2 Å²	151.2	87%	0.865	76%	0.759	S	S	*	*			trans	-80.2	165.6	-165.2	-160	-177.1	-172.9	-170.9	0	111.9
358	V	27.3	Very low	32.2	Very low	120 Å²	120	154.7 Å²	154.7	73%	0.727	78%	0.78	S	S	*	*			trans	113.3	114.7	154.2	179.3	0	0	0	0	118.5
359	D	25.4	Very low	31.7	Very low	144 Å²	144	154.3 Å²	154.3	77%	0.77	78%	0.784	S	S	*	*			trans	60.3	161.5	146	-78.8	-70.3	0	0	0	128.6
360	N	27.9	Very low	31	Very low	150 Å²	150	152.9 Å²	152.9	80%	0.802	78%	0.775	S	S	*	*			trans	-69.6	144.3	-168.1	-73.2	-54	0	0	0	116.9
361	S	24.3	Very low	30.5	Very low	119 Å²	119	153.2 Å²	153.2	83%	0.832	77%	0.77	S	S	*	*				-167.3	160.8	124.8	59	0	0	0	0	112.6
362	H	24.4	Very low	29.7	Very low	178 Å²	178	152.8 Å²	152.8	82%	0.824	78%	0.775	S	S	*	*			trans	-71.3	170.2	162.5	-97.4	-115.7	0	0	0	110.4
363	C	23.6	Very low	29.2	Very low	83 Å²	83	156.5 Å²	156.5	56%	0.561	79%	0.787	S	S	*	*			cis	-148.8	-174.8	7.5	-146	0	0	0	0	112.4
364	E	26.4	Very low	28.8	Very low	170 Å²	170	152 Å²	152	79%	0.794	78%	0.78	S	S	*	*			trans	43.1	98.6	149.4	-75.9	149.3	-116.5	0	0	120.8
365	E	29.3	Very low	28.7	Very low	196 Å²	196	143.3 Å²	143.3	92%	0.916	77%	0.77	S	S	*	*	S	Bend		-172.3	85.3	119	-107.5	-159	156	0	0	111.7
366	R	33.7	Very low	28.3	Very low	246 Å²	246	141.1 Å²	141.1	93%	0.928	77%	0.766	S	S	*	*			trans	-161.4	13.1	159.5	-126.7	171.4	-175.5	168.1	4.3	117.4	S368	R366-S368 PolarHBondContact O-N 3.14Å
367	E	29.1	Very low	28.1	Very low	123 Å²	123	142.1 Å²	142.1	58%	0.575	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	65.7	-172.2	-153.9	-163.4	-158.6	0	0	113.4	K371	E367-K371 WeakPolarHBondContact OE1-CE 3.46Å; E367-K371 IonicContact OE1-NZ 2.64Å; E367-K371 PolarHBondContact OE1-NZ 2.98Å; E367-K371 IonicContact OE2-NZ 3.76Å; E367-K371 PolarHBondContact OE2-NZ 2.93Å
368	S	29.8	Very low	28	Very low	117 Å²	117	141.9 Å²	141.9	82%	0.818	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.4	4.8	173.5	-66.2	0	0	0	0	115.7	R366	R366-S368 PolarHBondContact O-N 3.14Å
369	I	33	Very low	27.8	Very low	155 Å²	155	142.5 Å²	142.5	80%	0.795	77%	0.774	S	S	*	*	S	Bend	trans	-122.8	-17	176.8	-60.3	179.3	0	0	0	112.2
370	S	28	Very low	27.7	Very low	70 Å²	70	140.1 Å²	140.1	49%	0.49	77%	0.769	S	S	.	*	G	3₁₀ helix	trans	-78	-26.1	178.9	47.2	0	0	0	0	114.7	L372	S370-L372 VanDerWaalsContact C-N 3.29Å; S370-L372 PolarHBondContact O-N 3.23Å
371	K	29.8	Very low	27.5	Very low	137 Å²	137	140.9 Å²	140.9	60%	0.596	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-76.2	-4.2	-170.6	-79.3	176.7	172.7	159.9	0	115.7	E367	E367-K371 WeakPolarHBondContact OE1-CE 3.46Å; E367-K371 IonicContact OE1-NZ 2.64Å; E367-K371 PolarHBondContact OE1-NZ 2.98Å; E367-K371 IonicContact OE2-NZ 3.76Å; E367-K371 PolarHBondContact OE2-NZ 2.93Å
372	L	29.1	Very low	27.4	Very low	169 Å²	169	140.5 Å²	140.5	89%	0.885	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-96.1	-3.5	178.8	-146.7	75.6	0	0	0	114.5	S370	S370-L372 VanDerWaalsContact C-N 3.29Å; S370-L372 PolarHBondContact O-N 3.23Å
373	V	29.5	Very low	27.5	Very low	132 Å²	132	142.8 Å²	142.8	80%	0.8	77%	0.77	S	S	*	*	S	Bend	trans	-116.1	-12.9	-170	-175.7	0	0	0	0	113.4	G375	V373-G375 PolarHBondContact O-N 3.46Å
374	S	28.5	Very low	27.5	Very low	102 Å²	102	148.1 Å²	148.1	71%	0.713	79%	0.786	S	S	*	*	S	Bend	trans	-93	18.9	-176.5	62.2	0	0	0	0	115.1
375	G	30	Very low	27.4	Very low	70 Å²	70	147.4 Å²	147.4	72%	0.722	79%	0.786	S	S	*	*	S	Bend	trans	-80.8	-32.6	-169.7	0	0	0	0	0	116.8	V373	V373-G375 PolarHBondContact O-N 3.46Å
376	I	28	Very low	27	Very low	166 Å²	166	141.6 Å²	141.6	85%	0.851	77%	0.768	S	S	*	*	S	Bend	trans	-135.5	52.7	-164.5	-38.7	-178.6	0	0	0	113.5
377	V	25.6	Very low	26.4	Very low	138 Å²	138	140.7 Å²	140.7	84%	0.836	77%	0.766	S	S	*	*			trans	-145.9	80.4	157.8	-168.4	0	0	0	0	111.7
378	K	25.2	Very low	26.2	Very low	194 Å²	194	144.2 Å²	144.2	84%	0.843	78%	0.779	S	S	*	*			trans	178.7	108.4	144	-104.4	167	-177.7	178.7	0	113.3
379	C	24.1	Very low	25.9	Very low	134 Å²	134	144.8 Å²	144.8	91%	0.905	78%	0.778	S	S	*	*				-138.9	152.2	127.7	-104.3	0	0	0	0	107
380	S	22.8	Very low	25.5	Very low	94 Å²	94	144.1 Å²	144.1	66%	0.657	78%	0.78	S	S	*	*			trans	-161.9	166.7	-169.2	-61.5	0	0	0	0	110.6
381	I	23.8	Very low	25.2	Very low	165 Å²	165	144.2 Å²	144.2	85%	0.846	79%	0.793	S	S	*	*			trans	75.5	141.4	171.4	-53.5	148.5	0	0	0	111.1
382	S	22.6	Very low	24.9	Very low	111 Å²	111	142 Å²	142	78%	0.776	80%	0.8	S	S	*	*			cis	-137	179.8	11.9	-150.9	0	0	0	0	114.6
383	R	26.8	Very low	24.7	Very low	227 Å²	227	141.2 Å²	141.2	86%	0.857	80%	0.797	S	S	*	*			trans	-86.8	152.8	163.3	-57.7	169.1	171.8	-177.3	-5.3	110.3
384	Q	23.6	Very low	24.2	Very low	194 Å²	194	143.8 Å²	143.8	91%	0.907	80%	0.8	S	S	*	*				-166.5	-175.5	123.5	-109.7	169.5	2	0	0	112.6
385	I	22.5	Very low	24.6	Very low	156 Å²	156	144 Å²	144	80%	0.8	80%	0.799	S	S	*	*			trans	-139.8	140.9	-157.6	-55.6	159.7	0	0	0	108.2
386	S	20.8	Very low	24.9	Very low	74 Å²	74	146.4 Å²	146.4	52%	0.517	80%	0.802	S	S	.	*				152.5	160.6	109.7	-143.5	0	0	0	0	119.3
387	Y	22.9	Very low	24.6	Very low	227 Å²	227	144.7 Å²	144.7	89%	0.89	80%	0.799	S	S	*	*			trans	68.3	163.6	154.9	-54.8	-49.6	0	0	0	122.4
388	K	23.8	Very low	25	Very low	196 Å²	196	143.4 Å²	143.4	85%	0.852	79%	0.794	S	S	*	*			trans	-137.7	161.7	-169.3	-48.3	171.6	174.8	-177	0	110.8
389	T	23.9	Very low	24.9	Very low	129 Å²	129	139.7 Å²	139.7	79%	0.791	79%	0.788	S	S	*	*				-169.7	139.2	125.6	20.9	0	0	0	0	109.3
390	V	23.5	Very low	24.9	Very low	141 Å²	141	140.1 Å²	140.1	86%	0.855	79%	0.786	S	S	*	*				54.2	134.6	84.5	-173.2	0	0	0	0	112.7
391	G	23.3	Very low	24.9	Very low	72 Å²	72	139.3 Å²	139.3	74%	0.742	79%	0.792	S	S	*	*			cis	153.5	168.2	1.7	0	0	0	0	0	109.6
392	A	22.7	Very low	25	Very low	91 Å²	91	140 Å²	140	75%	0.752	79%	0.791	S	S	*	*			cis	-170.4	-178.7	-8.8	0	0	0	0	0	110.6
393	N	24.3	Very low	25	Very low	153 Å²	153	142 Å²	142	82%	0.818	79%	0.789	S	S	*	*			trans	70.9	111	163.8	-60.7	5.7	0	0	0	122.3
394	E	20.1	Very low	24.9	Very low	186 Å²	186	137.9 Å²	137.9	87%	0.869	79%	0.788	S	S	*	*				60.2	174.9	115.5	-115.7	-176.5	-149.1	0	0	122.5
395	P	37.4	Very low	24.9	Very low	107 Å²	107	133.7 Å²	133.7	70%	0.695	78%	0.78	S	S	*	*				-119.7	-159.1	-117.2	47.4	-30.5	0	0	0	113.3
396	P	36.3	Very low	25.1	Very low	120 Å²	120	132.1 Å²	132.1	78%	0.779	78%	0.783	S	S	*	*			cis	-133.6	-163.5	-3.2	42.7	-22.3	0	0	0	116.3
397	T	20.6	Very low	25.2	Very low	129 Å²	129	132 Å²	132	79%	0.791	79%	0.794	S	S	*	*			trans	-77.7	179.6	179.8	44.7	0	0	0	0	114.6
398	P	34.6	Very low	25.6	Very low	111 Å²	111	126.9 Å²	126.9	72%	0.721	79%	0.789	S	S	*	*			cis	-124.9	-144.9	5.7	27.4	-0	0	0	0	112.9
399	T	22.7	Very low	25.7	Very low	117 Å²	117	124.4 Å²	124.4	72%	0.718	78%	0.784	S	S	*	*			cis	-166.4	155.9	12.8	-15.3	0	0	0	0	113.3
400	V	24.1	Very low	25.7	Very low	143 Å²	143	125.2 Å²	125.2	87%	0.867	78%	0.783	S	S	*	*			trans	56.4	130.1	150	169.3	0	0	0	0	121.8
401	G	23.4	Very low	25.6	Very low	76 Å²	76	125 Å²	125	78%	0.784	78%	0.782	S	S	*	*			trans	169	113.2	160.4	0	0	0	0	0	116.8
402	Q	24.5	Very low	25.9	Very low	179 Å²	179	127.1 Å²	127.1	84%	0.836	78%	0.783	S	S	*	*			trans	-80.8	169	176.7	-82.1	170	-83.2	0	0	113.3
403	Q	23.6	Very low	25.9	Very low	155 Å²	155	126.8 Å²	126.8	72%	0.724	78%	0.781	S	S	*	*			cis	-178.6	-174.7	-14.8	179.6	169.4	7.4	0	0	108.1
404	V	24.3	Very low	25.8	Very low	139 Å²	139	128.1 Å²	128.1	84%	0.842	78%	0.782	S	S	*	*			trans	85.4	139.1	165.6	-174.8	0	0	0	0	116.1
405	S	23.6	Very low	25.9	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	78%	0.778	S	S	*	*			cis	-170.4	172.1	-25.6	-171.3	0	0	0	0	111.4
406	S	26.8	Very low	25.1	Very low	123 Å²	123	129.6 Å²	129.6	86%	0.86	78%	0.779	S	S	*	*			trans	89.1	141.5	168.5	75.8	0	0	0	0	119.7
407	G	23	Very low	24.4	Very low	72 Å²	72	127.3 Å²	127.3	74%	0.742	77%	0.766	S	S	*	*			trans	-133.8	-147.1	-179.8	0	0	0	0	0	111
408	P	31.4	Very low	24.5	Very low	120 Å²	120	131.8 Å²	131.8	78%	0.779	77%	0.768	S	S	*	*			cis	-136	-164.6	20.1	41.1	-21.4	0	0	0	115.6
409	L	25	Very low	23.9	Very low	144 Å²	144	136.2 Å²	136.2	75%	0.754	78%	0.776	S	S	*	*			trans	91.5	102.5	165	-65.8	153	0	0	0	119
410	D	25	Very low	24.1	Very low	146 Å²	146	136.6 Å²	136.6	78%	0.781	78%	0.784	S	S	*	*			trans	75.6	73.3	132.9	-55.6	-0.1	0	0	0	120.8
411	T	21.7	Very low	24.1	Very low	136 Å²	136	134.7 Å²	134.7	83%	0.834	78%	0.783	S	S	*	*			trans	-61.8	167.8	149.1	24.8	0	0	0	0	113
412	P	27.8	Very low	24.1	Very low	117 Å²	117	136 Å²	136	76%	0.76	79%	0.786	S	S	*	*			cis	-144.1	158.2	34.5	41.6	-22	0	0	0	120.5
413	A	23.6	Very low	24.2	Very low	84 Å²	84	132.8 Å²	132.8	69%	0.694	78%	0.784	S	S	*	*			trans	62.2	140.2	140.4	0	0	0	0	0	120.9
414	E	23.3	Very low	24.2	Very low	181 Å²	181	127.7 Å²	127.7	85%	0.846	77%	0.773	S	S	*	*			cis	-161.2	162.5	-16.5	-127.9	163.8	-167.1	0	0	111.3
415	E	21.2	Very low	24.3	Very low	170 Å²	170	127 Å²	127	79%	0.794	77%	0.774	S	S	*	*			trans	24.9	140	161.9	-73.7	-163.4	134.5	0	0	126.4
416	E	21.1	Very low	24.6	Very low	154 Å²	154	126.5 Å²	126.5	72%	0.72	76%	0.759	S	S	*	*			trans	75.1	104.7	134.3	-76.8	-86.4	83.3	0	0	122.9
417	S	20.7	Very low	24.7	Very low	71 Å²	71	129.2 Å²	129.2	50%	0.497	76%	0.755	S	S	.	*				53.4	108.3	116.5	-72.1	0	0	0	0	122
418	R	22.3	Very low	25.1	Very low	223 Å²	223	127.9 Å²	127.9	84%	0.842	74%	0.742	S	S	*	*				49.1	101.6	116	-61.5	164.8	166.7	171	-3.4	117.8
419	K	22.6	Very low	25.2	Very low	205 Å²	205	125.6 Å²	125.6	89%	0.891	73%	0.725	S	S	*	*				-176.2	142.9	101.3	-99.4	155.3	-173.6	166.6	0	113.5
420	S	27	Very low	25.8	Very low	125 Å²	125	122.8 Å²	122.8	87%	0.874	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-66.8	137.5	164.7	-40.9	0	0	0	0	110.8
421	A	24.3	Very low	26.3	Very low	102 Å²	102	117.4 Å²	117.4	84%	0.843	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-101	141.4	163	0	0	0	0	0	109.3
422	A	24	Very low	27.1	Very low	104 Å²	104	113.5 Å²	113.5	86%	0.86	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-91.8	145.8	-179.6	0	0	0	0	0	111.7	G424	A422-G424 PolarHBondContact O-N 3.05Å
423	S	25.1	Very low	27.5	Very low	112 Å²	112	108.9 Å²	108.9	78%	0.783	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-67.1	126.5	178.9	47.3	0	0	0	0	112.3
424	G	24.7	Very low	28	Very low	48 Å²	48	110.7 Å²	110.7	50%	0.495	64%	0.641	S	S	.	*			trans	-98.8	111.7	176.5	0	0	0	0	0	111.2	A422 F426	A422-G424 PolarHBondContact O-N 3.05Å; G424-F426 PolarHBondContact O-N 2.8Å
425	S	26.1	Very low	28.5	Very low	125 Å²	125	110.5 Å²	110.5	87%	0.874	64%	0.64	S	S	*	*			trans	-66.2	121.2	178	-179.1	0	0	0	0	111.4
426	F	29.6	Very low	28.8	Very low	94 Å²	94	110.5 Å²	110.5	41%	0.412	65%	0.645	S	S	.	*			trans	-82.1	145.3	-172	-139.3	-75.1	0	0	0	113.3	G424 T584 D585	G424-F426 PolarHBondContact O-N 2.8Å; F426-T584 HydrophobicContact CD1-CG2 4.2Å; F426-T584 VanDerWaalsContact CE1-CB 3.4Å; F426-T584 HydrophobicContact CE1-CG2 3.94Å; F426-T584 HydrophobicContact CZ-CG2 4.23Å; F426-D585 HydrophobicContact CZ-CB 4.12Å
427	K	29.5	Very low	29.3	Very low	181 Å²	181	105.9 Å²	105.9	79%	0.787	63%	0.629	S	S	*	*			trans	-113.6	112.9	165.9	-72.9	173.5	-176.1	158.5	0	109.6
428	G	30.4	Very low	30.2	Very low	44 Å²	44	111.5 Å²	111.5	45%	0.454	65%	0.647	S	S	.	*			trans	-138.7	158.3	177.3	0	0	0	0	0	112.8	K583	G428-K583 WeakPolarHBondContact CA-O 3.43Å
429	T	33.9	Very low	31.5	Very low	71 Å²	71	109.2 Å²	109.2	44%	0.436	65%	0.652	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.6	134.8	164.5	-55	0	0	0	0	108	W581 K583	T429-W581 HydrophobicContact CG2-CH2 3.67Å; T429-W581 HydrophobicContact CG2-CZ2 4.36Å; T429-W581 HydrophobicContact CG2-CZ3 4.31Å; T429-K583 PolarHBondContact N-O 2.9Å; T429-K583 PolarHBondContact O-N 3.27Å; T429-K583 VanDerWaalsContact O-N 3.09Å
430	V	37.7	Very low	32.9	Very low	86 Å²	86	101.1 Å²	101.1	52%	0.521	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.1	138.1	-176.8	-176.1	0	0	0	0	108.8	Q580 V582	V430-Q580 VanDerWaalsContact CG1-NE2 3.26Å; V430-V582 HydrophobicContact CG1-CG2 4.24Å; V430-V582 HydrophobicContact CG2-CG1 4.16Å; V430-V582 HydrophobicContact CG2-CG2 4.2Å
431	A	36.8	Very low	34.9	Very low	32 Å²	32	99 Å²	99	26%	0.264	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.6	146.7	163.6	0	0	0	0	0	108.7	Q580	A431-Q580 VanDerWaalsContact O-CG 3.23Å; A431-Q580 WeakPolarHBondContact O-CG 3.46Å; A431-Q580 PolarHBondContact O-NE2 3.46Å
432	S	37.6	Very low	37.6	Very low	54 Å²	54	97.5 Å²	97.5	38%	0.378	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.7	138.6	178.9	-166.1	0	0	0	0	109.3
433	S	36.5	Very low	40.5	Very low	21 Å²	21	93.1 Å²	93.1	15%	0.147	55%	0.552	C	S	.	*			trans	-74.9	146.4	155.4	52.7	0	0	0	0	109.6
434	T	33.5	Very low	43.3	Very low	121 Å²	121	90.6 Å²	90.6	74%	0.742	54%	0.538	S	S	*	.			trans	-148.6	107.5	176.6	50.5	0	0	0	0	109
435	E	33.5	Very low	46.3	Very low	177 Å²	177	90.3 Å²	90.3	83%	0.827	53%	0.53	S	S	*	.	S	Bend	trans	-173.1	170.7	155.5	-92.1	-95.5	129	0	0	106.8
436	L	29.1	Very low	49.2	Very low	170 Å²	170	84.6 Å²	84.6	89%	0.89	49%	0.49	S	S	*	.			trans	-77.1	157.3	-172.5	-72.1	162	0	0	0	113.1
437	C	31.5	Very low	52.1	Low	57 Å²	57	80.6 Å²	80.6	39%	0.385	47%	0.474	S	S	.	.			trans	-148.1	136.7	179.9	179.1	0	0	0	0	110	D439 G440 N527	C437-D439 PolarHBondContact O-N 3.09Å; C437-G440 PolarHBondContact O-N 3.41Å; C437-N527 WeakPolarHBondContact CB-ND2 3.41Å; C437-N527 PolarHBondContact SG-ND2 2.87Å
438	E	38.5	Very low	55	Low	189 Å²	189	77.7 Å²	77.7	88%	0.883	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	128.8	170.2	-62.9	173.5	141.2	0	0	107.8	G440	E438-G440 PolarHBondContact O-N 2.92Å
439	D	50.2	Low	57.9	Low	175 Å²	175	77.8 Å²	77.8	94%	0.936	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	16.5	-168.3	-60.5	-23.1	0	0	0	116.7	C437 V441	C437-D439 PolarHBondContact O-N 3.09Å; D439-V441 PolarHBondContact O-N 3.46Å
440	G	51.3	Low	60.7	Low	36 Å²	36	74.6 Å²	74.6	37%	0.371	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-79	116.8	-166	0	0	0	0	0	117	C437 E438 T442	C437-G440 PolarHBondContact O-N 3.41Å; E438-G440 PolarHBondContact O-N 2.92Å; G440-T442 PolarHBondContact O-N 3.25Å
441	V	69.3	Low	63.4	Low	79 Å²	79	72.1 Å²	72.1	48%	0.479	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-74.1	119.3	169.9	178.8	0	0	0	0	111	D439 I446	D439-V441 PolarHBondContact O-N 3.46Å; V441-I446 HydrophobicContact CG1-CD1 3.98Å; V441-I446 HydrophobicContact CG1-CG1 3.45Å; V441-I446 VanDerWaalsContact CG1-CG1 3.45Å
442	T	81.3	Confident	66.1	Low	71 Å²	71	77.6 Å²	77.6	44%	0.436	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-86.2	156.9	179.8	70.3	0	0	0	0	112.9	G440 A444 A445 I446	G440-T442 PolarHBondContact O-N 3.25Å; T442-A444 PolarHBondContact O-N 3.43Å; T442-A445 PolarHBondContact O-N 3Å; T442-A445 VanDerWaalsContact O-N 3.09Å; T442-A445 WeakPolarHBondContact OG1-CB 3.45Å; T442-A445 PolarHBondContact OG1-N 3.4Å; T442-A445 VanDerWaalsContact OG1-N 3.13Å; T442-I446 WeakPolarHBondContact O-CG1 3.5Å; T442-I446 PolarHBondContact O-N 2.87Å
443	P	83.7	Confident	68.8	Low	13 Å²	13	76.6 Å²	76.6	8%	0.084	43%	0.431	C	S	.	.	H	α-helix	trans	-57.5	-31.3	173.3	-25.4	34.9	0	0	0	114.2	A447 L579 Q580 L591	P443-A447 WeakPolarHBondContact O-CB 3.49Å; P443-A447 PolarHBondContact O-N 3.31Å; P443-A447 VanDerWaalsContact O-N 3.09Å; P443-L579 HydrophobicContact CG-CB 3.88Å; P443-L579 HydrophobicContact CG-CD1 4.28Å; P443-Q580 HydrophobicContact CB-CB 4.06Å; P443-Q580 HydrophobicContact CG-CB 4.27Å; P443-L591 HydrophobicContact CB-CD1 4.17Å; P443-L591 WeakPolarHBondContact O-CD1 3.49Å
444	A	85.4	Confident	71.6	Confident	59 Å²	59	75.7 Å²	75.7	49%	0.488	42%	0.424	S	S	.	.	H	α-helix	trans	-67.7	-46.4	174.4	0	0	0	0	0	111.3	T442 I446 A447 E448	T442-A444 PolarHBondContact O-N 3.43Å; A444-I446 VanDerWaalsContact C-N 3.31Å; A444-I446 PolarHBondContact O-N 2.86Å; A444-A447 PolarHBondContact O-N 3.24Å; A444-E448 WeakPolarHBondContact O-CB 3.47Å; A444-E448 PolarHBondContact O-N 2.64Å
445	A	87.1	Confident	74.5	Confident	41 Å²	41	72.2 Å²	72.2	34%	0.339	40%	0.401	S	S	.	.	H	α-helix	trans	-62.6	-35.1	177.5	0	0	0	0	0	112.7	T442 S449	T442-A445 PolarHBondContact O-N 3Å; T442-A445 VanDerWaalsContact O-N 3.09Å; T442-A445 WeakPolarHBondContact OG1-CB 3.45Å; T442-A445 PolarHBondContact OG1-N 3.4Å; T442-A445 VanDerWaalsContact OG1-N 3.13Å; A445-S449 WeakPolarHBondContact O-CB 3.09Å; A445-S449 PolarHBondContact O-N 3.28Å
446	I	87.9	Confident	77.5	Confident	6 Å²	6	67.6 Å²	67.6	3%	0.031	39%	0.388	C	S	.	.	H	α-helix	trans	-67.6	-46.6	174.2	-55.6	160.5	0	0	0	110.3	V441 T442 A444 S449 A450 L579 L591 F592	V441-I446 HydrophobicContact CG1-CD1 3.98Å; V441-I446 HydrophobicContact CG1-CG1 3.45Å; V441-I446 VanDerWaalsContact CG1-CG1 3.45Å; T442-I446 WeakPolarHBondContact O-CG1 3.5Å; T442-I446 PolarHBondContact O-N 2.87Å; A444-I446 VanDerWaalsContact C-N 3.31Å; A444-I446 PolarHBondContact O-N 2.86Å; I446-S449 PolarHBondContact O-N 3.19Å; I446-A450 VanDerWaalsContact O-CB 3.27Å; I446-A450 WeakPolarHBondContact O-CB 3.27Å; I446-A450 PolarHBondContact O-N 2.79Å; I446-L579 HydrophobicContact CD1-CD1 3.94Å; I446-L591 HydrophobicContact CB-CD2 4.46Å; I446-L591 HydrophobicContact CG2-CD2 3.88Å; I446-F592 WeakPolarHBondContact CD1-O 3.36Å
447	A	90.2	Very high	80.6	Confident	10 Å²	10	59.7 Å²	59.7	8%	0.083	35%	0.347	C	S	.	.	H	α-helix	trans	-59.8	-48.2	177.9	0	0	0	0	0	111.6	P443 A444 A450 M451 L591 L656	P443-A447 WeakPolarHBondContact O-CB 3.49Å; P443-A447 PolarHBondContact O-N 3.31Å; P443-A447 VanDerWaalsContact O-N 3.09Å; A444-A447 PolarHBondContact O-N 3.24Å; A447-A450 PolarHBondContact O-N 2.99Å; A447-M451 WeakPolarHBondContact O-CB 3.12Å; A447-M451 PolarHBondContact O-N 3.32Å; A447-L591 HydrophobicContact CB-CD1 4.39Å; A447-L656 HydrophobicContact CB-CD2 3.93Å
448	E	90.8	Very high	83.7	Confident	120 Å²	120	58 Å²	58	56%	0.561	33%	0.334	S	S	*	.	H	α-helix	trans	-62.8	-46.8	177.3	-170.1	-165.2	159.8	0	0	111.7	A444 A450 M451 K452	A444-E448 WeakPolarHBondContact O-CB 3.47Å; A444-E448 PolarHBondContact O-N 2.64Å; E448-A450 PolarHBondContact O-N 3.12Å; E448-M451 PolarHBondContact O-N 3.39Å; E448-K452 VanDerWaalsContact O-CB 3.25Å; E448-K452 WeakPolarHBondContact O-CB 3.48Å; E448-K452 PolarHBondContact O-N 3.4Å
449	S	91.4	Very high	86.3	Confident	45 Å²	45	54 Å²	54	32%	0.315	33%	0.327	S	S	.	.	H	α-helix	trans	-60.1	-47.3	178.3	-177.5	0	0	0	0	111.5	A445 I446 V453 Y617	A445-S449 WeakPolarHBondContact O-CB 3.09Å; A445-S449 PolarHBondContact O-N 3.28Å; I446-S449 PolarHBondContact O-N 3.19Å; S449-V453 VanDerWaalsContact O-CB 3.24Å; S449-V453 WeakPolarHBondContact O-CB 3.39Å; S449-V453 WeakPolarHBondContact O-CG2 3.36Å; S449-V453 PolarHBondContact O-N 3.48Å; S449-V453 VanDerWaalsContact O-N 3.09Å; S449-Y617 PolarHBondContact OG-OH 2.63Å
450	A	92.4	Very high	88.4	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.033	31%	0.309	C	S	.	.	H	α-helix	trans	-64.5	-44.5	176.9	0	0	0	0	0	112.2	I446 A447 E448 V453 L454 L597 L610 L656	I446-A450 VanDerWaalsContact O-CB 3.27Å; I446-A450 WeakPolarHBondContact O-CB 3.27Å; I446-A450 PolarHBondContact O-N 2.79Å; A447-A450 PolarHBondContact O-N 2.99Å; E448-A450 PolarHBondContact O-N 3.12Å; A450-V453 PolarHBondContact O-N 2.98Å; A450-L454 VanDerWaalsContact O-CB 3.31Å; A450-L454 WeakPolarHBondContact O-CB 3.46Å; A450-L454 VanDerWaalsContact O-CG 3.26Å; A450-L454 WeakPolarHBondContact O-CG 3.36Å; A450-L454 PolarHBondContact O-N 2.8Å; A450-L597 HydrophobicContact CB-CB 4.43Å; A450-L597 HydrophobicContact CB-CD2 3.63Å; A450-L610 HydrophobicContact CB-CD2 3.71Å; A450-L656 HydrophobicContact CB-CD1 4.19Å
451	M	93.4	Very high	90.4	Very high	35 Å²	35	47.9 Å²	47.9	17%	0.172	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-51.7	177.8	-179.3	-179.2	76.6	0	0	111.4	A447 E448 V453 L454 N455 L656 E657	A447-M451 WeakPolarHBondContact O-CB 3.12Å; A447-M451 PolarHBondContact O-N 3.32Å; E448-M451 PolarHBondContact O-N 3.39Å; M451-V453 VanDerWaalsContact C-N 3.33Å; M451-V453 PolarHBondContact O-N 2.87Å; M451-L454 PolarHBondContact O-N 2.83Å; M451-N455 WeakPolarHBondContact O-CB 3.33Å; M451-N455 PolarHBondContact O-N 2.86Å; M451-L656 HydrophobicContact CB-CB 3.97Å; M451-L656 HydrophobicContact CB-CD1 4.03Å; M451-L656 HydrophobicContact CG-CB 4.18Å; M451-L656 HydrophobicContact SD-CB 4.18Å; M451-E657 HydrophobicContact CG-CG 4.02Å; M451-E657 HydrophobicContact SD-CB 4.19Å; M451-E657 HydrophobicContact SD-CG 3.5Å; M451-E657 WeakPolarHBondContact SD-CG 3.44Å
452	K	93.2	Very high	91.5	Very high	146 Å²	146	46.9 Å²	46.9	64%	0.635	29%	0.29	S	S	*	.	H	α-helix	trans	-57.6	-44.1	177.9	-178.9	174.9	-176.7	171.5	0	112.1	E448 S456	E448-K452 VanDerWaalsContact O-CB 3.25Å; E448-K452 WeakPolarHBondContact O-CB 3.48Å; E448-K452 PolarHBondContact O-N 3.4Å; K452-S456 WeakPolarHBondContact O-CB 3.48Å; K452-S456 PolarHBondContact O-N 3.34Å
453	V	94.7	Very high	91.9	Very high	34 Å²	34	48.2 Å²	48.2	21%	0.206	31%	0.308	C	S	.	.	H	α-helix	trans	-72.2	-40.6	-177.9	165.1	0	0	0	0	111.9	S449 A450 M451 C457 Y617 L633	S449-V453 VanDerWaalsContact O-CB 3.24Å; S449-V453 WeakPolarHBondContact O-CB 3.39Å; S449-V453 WeakPolarHBondContact O-CG2 3.36Å; S449-V453 PolarHBondContact O-N 3.48Å; S449-V453 VanDerWaalsContact O-N 3.09Å; A450-V453 PolarHBondContact O-N 2.98Å; M451-V453 VanDerWaalsContact C-N 3.33Å; M451-V453 PolarHBondContact O-N 2.87Å; V453-C457 PolarHBondContact O-N 3.47Å; V453-C457 VanDerWaalsContact O-N 3.14Å; V453-Y617 HydrophobicContact CG1-CD1 4.09Å; V453-Y617 HydrophobicContact CG1-CD2 3.76Å; V453-Y617 HydrophobicContact CG1-CE1 4.39Å; V453-Y617 HydrophobicContact CG1-CE2 4.11Å; V453-Y617 HydrophobicContact CG1-CG 3.74Å; V453-Y617 HydrophobicContact CG2-CD2 4.24Å; V453-Y617 HydrophobicContact CG2-CE2 3.78Å; V453-L633 HydrophobicContact CG1-CD2 3.24Å
454	L	95.6	Very high	92.3	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-68.2	-41.2	174	-72	171.3	0	0	0	112.2	A450 M451 C457 L458 L597 L610 L619 L633 M649 V652 V653	A450-L454 VanDerWaalsContact O-CB 3.31Å; A450-L454 WeakPolarHBondContact O-CB 3.46Å; A450-L454 VanDerWaalsContact O-CG 3.26Å; A450-L454 WeakPolarHBondContact O-CG 3.36Å; A450-L454 PolarHBondContact O-N 2.8Å; M451-L454 PolarHBondContact O-N 2.83Å; L454-C457 PolarHBondContact O-N 3.2Å; L454-L458 WeakPolarHBondContact O-CB 3.25Å; L454-L458 WeakPolarHBondContact O-CG 3.18Å; L454-L458 PolarHBondContact O-N 2.95Å; L454-L597 HydrophobicContact CD1-CD2 4.43Å; L454-L610 HydrophobicContact CD1-CD2 4.2Å; L454-L610 HydrophobicContact CD2-CD1 4.27Å; L454-L610 HydrophobicContact CD2-CD2 4.31Å; L454-L610 HydrophobicContact CG-CD2 4Å; L454-L619 HydrophobicContact CD2-CD1 3.9Å; L454-L633 HydrophobicContact CD2-CD1 4.37Å; L454-M649 HydrophobicContact CD2-CE 3.99Å; L454-V652 HydrophobicContact CD1-CB 4.33Å; L454-V652 HydrophobicContact CD1-CG1 3.66Å; L454-V653 HydrophobicContact CB-CG2 3.56Å; L454-V653 HydrophobicContact CD1-CG2 4.44Å
455	N	95.2	Very high	92.3	Very high	48 Å²	48	52.9 Å²	52.9	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-63.1	-47.2	174.6	-98.1	-28.7	0	0	0	111.4	M451 C457 L458 S459 V653 E657	M451-N455 WeakPolarHBondContact O-CB 3.33Å; M451-N455 PolarHBondContact O-N 2.86Å; N455-C457 VanDerWaalsContact C-N 3.25Å; N455-C457 PolarHBondContact O-N 2.95Å; N455-L458 PolarHBondContact O-N 3.38Å; N455-L458 VanDerWaalsContact O-N 3.12Å; N455-S459 WeakPolarHBondContact O-CB 3.33Å; N455-S459 PolarHBondContact O-N 3.36Å; N455-S459 PolarHBondContact O-OG 2.84Å; N455-S459 VanDerWaalsContact O-OG 3.13Å; N455-V653 WeakPolarHBondContact ND2-CG1 3.49Å; N455-V653 VanDerWaalsContact OD1-CG1 3.27Å; N455-V653 WeakPolarHBondContact OD1-CG1 3.42Å; N455-E657 PolarHBondContact ND2-OE1 3.37Å
456	S	94.8	Very high	92.4	Very high	81 Å²	81	60.6 Å²	60.6	57%	0.566	36%	0.355	S	S	*	.	H	α-helix	trans	-56.6	-39.5	176.8	-169.9	0	0	0	0	112.5	K452 A460	K452-S456 WeakPolarHBondContact O-CB 3.48Å; K452-S456 PolarHBondContact O-N 3.34Å; S456-A460 PolarHBondContact O-N 2.86Å
457	C	95.8	Very high	92.5	Very high	4 Å²	4	62.5 Å²	62.5	3%	0.027	37%	0.365	C	S	.	.	H	α-helix	trans	-65.6	-53	173.2	-179.1	0	0	0	0	111.2	V453 L454 N455 S459 A460 M461 L633	V453-C457 PolarHBondContact O-N 3.47Å; V453-C457 VanDerWaalsContact O-N 3.14Å; L454-C457 PolarHBondContact O-N 3.2Å; N455-C457 VanDerWaalsContact C-N 3.25Å; N455-C457 PolarHBondContact O-N 2.95Å; C457-S459 VanDerWaalsContact C-N 3.26Å; C457-S459 PolarHBondContact O-N 3.19Å; C457-A460 PolarHBondContact O-N 3.49Å; C457-M461 WeakPolarHBondContact O-CB 3.3Å; C457-M461 PolarHBondContact O-N 3.14Å; C457-M461 VanDerWaalsContact SG-CE 3.59Å; C457-L633 HydrophobicContact CB-CD1 3.94Å; C457-L633 HydrophobicContact CB-CD2 4.08Å; C457-L633 HydrophobicContact CB-CG 3.82Å; C457-L633 VanDerWaalsContact SG-CD1 3.56Å; C457-L633 PolarHBondContact SG-O 3.32Å
458	L	95.5	Very high	92.4	Very high	20 Å²	20	62.7 Å²	62.7	11%	0.105	37%	0.365	C	S	.	.	H	α-helix	trans	-62.3	-27.7	-177.5	-76.4	168.4	0	0	0	114.5	L454 N455 M461 R646 M649 R650 V653	L454-L458 WeakPolarHBondContact O-CB 3.25Å; L454-L458 WeakPolarHBondContact O-CG 3.18Å; L454-L458 PolarHBondContact O-N 2.95Å; N455-L458 PolarHBondContact O-N 3.38Å; N455-L458 VanDerWaalsContact O-N 3.12Å; L458-M461 HydrophobicContact CD2-CE 4.29Å; L458-M461 HydrophobicContact CD2-SD 4.42Å; L458-R646 HydrophobicContact CD2-CG 4.04Å; L458-M649 HydrophobicContact CD1-CB 4.12Å; L458-M649 HydrophobicContact CD2-CB 4Å; L458-M649 HydrophobicContact CD2-CE 4.29Å; L458-M649 HydrophobicContact CG-CB 4.36Å; L458-M649 HydrophobicContact CG-CE 4.28Å; L458-R650 HydrophobicContact CD1-CG 3.82Å; L458-R650 HydrophobicContact CD2-CG 4.03Å; L458-V653 HydrophobicContact CD1-CG2 3.88Å
459	S	93.9	Very high	92.2	Very high	107 Å²	107	61.4 Å²	61.4	75%	0.748	37%	0.367	S	S	*	.	H	α-helix	trans	-79.1	-31.9	177.3	-64.8	0	0	0	0	113.6	N455 C457	N455-S459 WeakPolarHBondContact O-CB 3.33Å; N455-S459 PolarHBondContact O-N 3.36Å; N455-S459 PolarHBondContact O-OG 2.84Å; N455-S459 VanDerWaalsContact O-OG 3.13Å; C457-S459 VanDerWaalsContact C-N 3.26Å; C457-S459 PolarHBondContact O-N 3.19Å
460	A	93.6	Very high	92	Very high	66 Å²	66	62 Å²	62	55%	0.545	37%	0.37	S	S	.	.	H	α-helix	trans	-92.7	-16.4	178.6	0	0	0	0	0	113.5	S456 C457 P462 S637	S456-A460 PolarHBondContact O-N 2.86Å; C457-A460 PolarHBondContact O-N 3.49Å; A460-P462 WeakPolarHBondContact O-CD 3.41Å; A460-S637 WeakPolarHBondContact CB-OG 3.43Å
461	M	93.4	Very high	91.6	Very high	15 Å²	15	64.1 Å²	64.1	7%	0.074	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-64.4	116.8	-174.9	-179.4	-175.9	-65.2	0	0	114.1	C457 L458 L636 S637 C641 R646 M649	C457-M461 WeakPolarHBondContact O-CB 3.3Å; C457-M461 PolarHBondContact O-N 3.14Å; C457-M461 VanDerWaalsContact SG-CE 3.59Å; L458-M461 HydrophobicContact CD2-CE 4.29Å; L458-M461 HydrophobicContact CD2-SD 4.42Å; M461-L636 HydrophobicContact CE-CB 4.17Å; M461-L636 WeakPolarHBondContact CG-O 3.4Å; M461-S637 WeakPolarHBondContact CA-O 3.38Å; M461-C641 HydrophobicContact SD-CB 4.47Å; M461-C641 PolarHBondContact SD-SG 3.44Å; M461-R646 HydrophobicContact SD-CG 4.28Å; M461-R646 VanDerWaalsContact SD-CZ 3.55Å; M461-R646 PolarHBondContact SD-NH2 3Å; M461-R646 VanDerWaalsContact SD-NH2 3.41Å; M461-M649 HydrophobicContact CE-CE 3.95Å; M461-M649 HydrophobicContact CE-SD 4.21Å
462	P	92.6	Very high	90.5	Very high	59 Å²	59	68.3 Å²	68.3	38%	0.383	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-69.1	167	177.9	29.4	-35.5	0	0	0	112.7	A460 A464 S637 E638 R646	A460-P462 WeakPolarHBondContact O-CD 3.41Å; P462-A464 PolarHBondContact O-N 3.09Å; P462-S637 VanDerWaalsContact CD-O 3.3Å; P462-S637 WeakPolarHBondContact CD-O 3.38Å; P462-E638 WeakPolarHBondContact CG-O 3.49Å; P462-R646 PolarHBondContact O-NH1 2.71Å; P462-R646 VanDerWaalsContact O-NH1 3.09Å; P462-R646 PolarHBondContact O-NH2 3.13Å
463	A	89.3	Confident	89.3	Confident	98 Å²	98	72 Å²	72	81%	0.81	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-69	129.3	175.3	0	0	0	0	0	111.3
464	A	91.3	Very high	88	Confident	36 Å²	36	72.8 Å²	72.8	30%	0.298	43%	0.43	S	S	.	.			trans	-147.2	152.6	176.4	0	0	0	0	0	111.1	P462	P462-A464 PolarHBondContact O-N 3.09Å
465	T	85.4	Confident	86.8	Confident	134 Å²	134	78.6 Å²	78.6	82%	0.822	46%	0.455	S	S	*	.	S	Bend	trans	-97.6	-17.5	179.6	53.6	0	0	0	0	113.3
466	R	89.3	Confident	85.5	Confident	204 Å²	204	77.2 Å²	77.2	77%	0.77	45%	0.449	S	S	*	.	S	Bend	trans	-128.4	161.8	-177.8	-57.7	-177.3	74.7	-177.4	2.2	110.1	C641 S642	R466-C641 CarbonylContact O-C 3.44Å; R466-C641 WeakPolarHBondContact O-CA 3.47Å; R466-S642 PolarHBondContact O-N 3.01Å
467	N	89.8	Confident	84.8	Confident	45 Å²	45	74.5 Å²	74.5	24%	0.241	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-74.8	153.1	166.9	-68	-6.2	0	0	0	110	Y631 S642	N467-Y631 HydrophobicContact CB-CE1 4.18Å; N467-Y631 VanDerWaalsContact CB-OH 3.27Å; N467-Y631 WeakPolarHBondContact CB-OH 3.46Å; N467-Y631 PolarHBondContact ND2-OH 3.48Å; N467-S642 VanDerWaalsContact OD1-CB 3.27Å; N467-S642 WeakPolarHBondContact OD1-CB 3.46Å; N467-S642 PolarHBondContact OD1-N 2.82Å; N467-S642 PolarHBondContact OD1-OG 3.07Å
468	P	90	Very high	84.3	Confident	14 Å²	14	75.8 Å²	75.8	9%	0.091	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-66.8	172.3	170.6	30.9	-35.5	0	0	0	110.7	C470 Y631 M635 L636 M639 G640	P468-C470 PolarHBondContact O-N 3.09Å; P468-Y631 HydrophobicContact CG-CD1 3.98Å; P468-Y631 HydrophobicContact CG-CE1 4.25Å; P468-Y631 VanDerWaalsContact O-CE1 3.32Å; P468-Y631 WeakPolarHBondContact O-CE1 3.4Å; P468-M635 HydrophobicContact CB-CG 4Å; P468-M635 HydrophobicContact CB-SD 3.93Å; P468-M635 HydrophobicContact CG-CG 4.12Å; P468-M635 HydrophobicContact CG-SD 4.15Å; P468-L636 HydrophobicContact CG-CD2 3.86Å; P468-M639 HydrophobicContact CB-CB 4.12Å; P468-M639 HydrophobicContact CB-CE 4.26Å; P468-M639 HydrophobicContact CB-SD 3.71Å; P468-G640 WeakPolarHBondContact CD-O 3.22Å
469	P	86.4	Confident	83.9	Confident	94 Å²	94	75 Å²	75	61%	0.61	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-55.2	128.7	170.3	-23.7	34.9	0	0	0	111	M635	P469-M635 VanDerWaalsContact O-SD 3.39Å
470	C	85.8	Confident	83.8	Confident	56 Å²	56	69.9 Å²	69.9	38%	0.378	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-72.9	156	171.6	55	0	0	0	0	110.8	P468 S472 Y629 T630 Y631	P468-C470 PolarHBondContact O-N 3.09Å; C470-S472 PolarHBondContact O-N 3.21Å; C470-Y629 HydrophobicContact CB-CD1 4.41Å; C470-T630 WeakPolarHBondContact CA-O 3.23Å; C470-Y631 HydrophobicContact CB-CD1 4.21Å; C470-Y631 HydrophobicContact CB-CE1 3.76Å
471	L	84.2	Confident	83.7	Confident	49 Å²	49	67.9 Å²	67.9	26%	0.257	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-61.2	123.7	173.4	-60.3	-179.6	0	0	0	109.4	R473 P474 L618 T630 L632	L471-R473 VanDerWaalsContact C-N 3.29Å; L471-R473 PolarHBondContact O-N 3.09Å; L471-P474 HydrophobicContact CB-CB 4.3Å; L471-P474 HydrophobicContact CD1-CB 4.41Å; L471-L618 HydrophobicContact CD1-CD2 3.77Å; L471-T630 HydrophobicContact CD1-CG2 4.27Å; L471-T630 PolarHBondContact N-O 3.36Å; L471-L632 HydrophobicContact CD1-CG 4.45Å; L471-L632 HydrophobicContact CD2-CD1 4.31Å; L471-L632 HydrophobicContact CD2-CG 4.4Å
472	S	71.8	Confident	83.6	Confident	123 Å²	123	68.1 Å²	68.1	86%	0.86	38%	0.375	S	S	*	.	S	Bend	trans	-70.8	-23.8	-178.3	53	0	0	0	0	113.8	C470	C470-S472 PolarHBondContact O-N 3.21Å
473	R	67.9	Low	83.6	Confident	224 Å²	224	68.4 Å²	68.4	85%	0.845	37%	0.368	S	S	*	.	S	Bend	trans	-141.6	88	166.6	-67.7	-171	-178.2	-176.2	-0.2	108.9	L471	L471-R473 VanDerWaalsContact C-N 3.29Å; L471-R473 PolarHBondContact O-N 3.09Å
474	P	67.3	Low	83.7	Confident	51 Å²	51	64.2 Å²	64.2	33%	0.331	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-67.1	153.2	170.8	30.7	-33.5	0	0	0	109.6	L471 S476 T630	L471-P474 HydrophobicContact CB-CB 4.3Å; L471-P474 HydrophobicContact CD1-CB 4.41Å; P474-S476 PolarHBondContact O-N 2.87Å; P474-T630 HydrophobicContact CB-CG2 3.75Å
475	K	69	Low	83.5	Confident	122 Å²	122	64.7 Å²	64.7	53%	0.53	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-63.8	129.2	171.1	-71.3	-171.6	175.5	-170.6	0	109.3	F477 S614	K475-F477 PolarHBondContact O-N 3.1Å; K475-S614 PolarHBondContact NZ-OG 3.13Å
476	S	68.4	Low	83.5	Confident	19 Å²	19	62.2 Å²	62.2	13%	0.133	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-49.8	129.4	172.4	177.8	0	0	0	0	110.6	P474 C567 E568 Q570	P474-S476 PolarHBondContact O-N 2.87Å; S476-C567 PolarHBondContact OG-SG 3.34Å; S476-C567 VanDerWaalsContact OG-SG 3.33Å; S476-E568 PolarHBondContact OG-N 3.16Å; S476-E568 PolarHBondContact OG-O 2.83Å; S476-Q570 PolarHBondContact O-NE2 2.92Å
477	F	79.7	Confident	83	Confident	25 Å²	25	53.7 Å²	53.7	11%	0.11	28%	0.278	C	S	.	.			trans	-139.6	153	175.6	68	-92.9	0	0	0	110.5	K475 W479 S497 I609 T620	K475-F477 PolarHBondContact O-N 3.1Å; F477-W479 HydrophobicContact CD2-CB 4.2Å; F477-W479 HydrophobicContact CE2-CB 3.86Å; F477-W479 AromaticContact CE2-CD1 3.92Å; F477-W479 HydrophobicContact CE2-CG 4.06Å; F477-S497 PolarHBondContact O-OG 2.93Å; F477-I609 HydrophobicContact CE2-CB 4.36Å; F477-I609 HydrophobicContact CE2-CD1 4.11Å; F477-I609 HydrophobicContact CE2-CG2 3.78Å; F477-I609 HydrophobicContact CZ-CD1 4.36Å; F477-I609 HydrophobicContact CZ-CG2 4.42Å; F477-T620 WeakPolarHBondContact CE1-OG1 3.2Å; F477-T620 HydrophobicContact CZ-CG2 4.22Å; F477-T620 VanDerWaalsContact CZ-OG1 3.26Å; F477-T620 WeakPolarHBondContact CZ-OG1 3.47Å
478	I	85.1	Confident	81.9	Confident	30 Å²	30	58.1 Å²	58.1	15%	0.154	30%	0.302	C	S	.	.			trans	-90.6	129.9	-175.6	-56	176	0	0	0	109.9	L496 S497 P576	I478-L496 HydrophobicContact CG2-CB 3.76Å; I478-L496 HydrophobicContact CG2-CD1 3.89Å; I478-L496 HydrophobicContact CG2-CD2 4.06Å; I478-L496 HydrophobicContact CG2-CG 4.11Å; I478-S497 WeakPolarHBondContact CA-OG 3.32Å; I478-P576 HydrophobicContact CB-CG 3.99Å; I478-P576 HydrophobicContact CG2-CG 3.66Å
479	W	88.3	Confident	81.1	Confident	3 Å²	3	62.7 Å²	62.7	1%	0.011	32%	0.32	C	S	.	.			trans	-145.8	165.4	-177.4	66.8	-79.5	0	0	0	112.2	F477 T481 L496 S497 V565 K607 I609 I622	F477-W479 HydrophobicContact CD2-CB 4.2Å; F477-W479 HydrophobicContact CE2-CB 3.86Å; F477-W479 AromaticContact CE2-CD1 3.92Å; F477-W479 HydrophobicContact CE2-CG 4.06Å; W479-T481 HydrophobicContact CD2-CG2 4.41Å; W479-T481 HydrophobicContact CH2-CG2 3.92Å; W479-T481 HydrophobicContact CZ2-CG2 3.77Å; W479-T481 HydrophobicContact CZ3-CG2 4.31Å; W479-T481 PolarHBondContact O-N 3.42Å; W479-L496 CarbonylContact O-C 3.46Å; W479-L496 VanDerWaalsContact O-CA 3.29Å; W479-L496 WeakPolarHBondContact O-CA 3.4Å; W479-S497 PolarHBondContact N-OG 3.01Å; W479-S497 PolarHBondContact O-N 3.13Å; W479-V565 HydrophobicContact CZ2-CB 3.89Å; W479-V565 HydrophobicContact CZ2-CG2 4.02Å; W479-K607 HydrophobicContact CZ3-CD 4.14Å; W479-I609 HydrophobicContact CB-CD1 3.88Å; W479-I609 HydrophobicContact CD2-CD1 3.8Å; W479-I609 HydrophobicContact CE3-CD1 3.71Å; W479-I609 HydrophobicContact CG-CD1 3.87Å; W479-I622 HydrophobicContact CE3-CD1 4.2Å; W479-I622 HydrophobicContact CH2-CD1 3.63Å; W479-I622 HydrophobicContact CZ2-CD1 4.12Å; W479-I622 HydrophobicContact CZ3-CD1 3.67Å
480	V	91.9	Very high	80.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	106.3	-175.7	-179.5	0	0	0	0	111.3	K482 W483 Y494 Q495 L496 M590 F592 Q598	V480-K482 WeakPolarHBondContact CG1-O 3.42Å; V480-W483 HydrophobicContact CG1-CB 4.09Å; V480-Y494 HydrophobicContact CG2-CD2 4.28Å; V480-Q495 CarbonylContact C-O 3.44Å; V480-Q495 WeakPolarHBondContact CA-O 3.14Å; V480-L496 HydrophobicContact CG2-CD2 4.05Å; V480-M590 HydrophobicContact CB-CE 3.83Å; V480-M590 HydrophobicContact CB-SD 4.2Å; V480-M590 HydrophobicContact CG1-CE 4.04Å; V480-M590 HydrophobicContact CG1-SD 4.1Å; V480-M590 HydrophobicContact CG2-CE 4.07Å; V480-M590 HydrophobicContact CG2-SD 3.94Å; V480-F592 HydrophobicContact CG2-CE1 4.46Å; V480-F592 HydrophobicContact CG2-CE2 3.86Å; V480-F592 HydrophobicContact CG2-CZ 3.39Å; V480-Q598 PolarHBondContact O-NE2 2.97Å
481	T	90.5	Very high	81	Confident	24 Å²	24	58.2 Å²	58.2	15%	0.147	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-42.3	177.2	53.2	0	0	0	0	111.9	W479 Q495 L496 G562	W479-T481 HydrophobicContact CD2-CG2 4.41Å; W479-T481 HydrophobicContact CH2-CG2 3.92Å; W479-T481 HydrophobicContact CZ2-CG2 3.77Å; W479-T481 HydrophobicContact CZ3-CG2 4.31Å; W479-T481 PolarHBondContact O-N 3.42Å; T481-Q495 PolarHBondContact N-O 3.13Å; T481-Q495 PolarHBondContact OG1-O 3.23Å; T481-L496 PolarHBondContact OG1-O 3.42Å; T481-G562 PolarHBondContact O-N 2.85Å
482	K	92	Very high	81.5	Confident	20 Å²	20	56 Å²	56	9%	0.087	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	154.9	-178.8	-38	-169	-161.6	-179.9	0	110.9	V480 Q495 M555 L559	V480-K482 WeakPolarHBondContact CG1-O 3.42Å; K482-Q495 HydrophobicContact CB-CB 4.13Å; K482-Q495 VanDerWaalsContact CD-OE1 3.25Å; K482-Q495 VanDerWaalsContact CE-OE1 3.23Å; K482-Q495 HydrophobicContact CG-CB 4.49Å; K482-Q495 PolarHBondContact N-O 3.42Å; K482-Q495 PolarHBondContact O-N 3.2Å; K482-M555 HydrophobicContact CB-CB 4.38Å; K482-M555 HydrophobicContact CB-SD 4.3Å; K482-M555 HydrophobicContact CD-CB 4.45Å; K482-M555 VanDerWaalsContact CD-O 3.22Å; K482-M555 WeakPolarHBondContact CD-O 3.42Å; K482-M555 PolarHBondContact NZ-O 2.86Å; K482-L559 HydrophobicContact CB-CB 4.48Å; K482-L559 HydrophobicContact CB-CD1 4.26Å; K482-L559 HydrophobicContact CD-CB 3.89Å; K482-L559 WeakPolarHBondContact CD-O 3.21Å; K482-L559 WeakPolarHBondContact CE-O 3.47Å; K482-L559 PolarHBondContact NZ-O 2.92Å
483	W	93.1	Very high	82.6	Confident	66 Å²	66	50.1 Å²	50.1	25%	0.25	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	157.5	-178.5	57.6	-87.3	0	0	0	112.6	V480 D485 F492 G493 L559 L588 N600 Y602	V480-W483 HydrophobicContact CG1-CB 4.09Å; W483-D485 HydrophobicContact CZ3-CB 4.24Å; W483-F492 HydrophobicContact CB-CE1 3.86Å; W483-F492 HydrophobicContact CB-CZ 3.69Å; W483-F492 AromaticContact CD2-CZ 3.93Å; W483-F492 HydrophobicContact CD2-CZ 3.93Å; W483-F492 AromaticContact CE3-CE2 3.73Å; W483-F492 HydrophobicContact CE3-CE2 3.73Å; W483-F492 AromaticContact CE3-CZ 3.57Å; W483-F492 HydrophobicContact CE3-CZ 3.57Å; W483-F492 AromaticContact CG-CZ 3.99Å; W483-F492 HydrophobicContact CG-CZ 3.99Å; W483-F492 HydrophobicContact CZ3-CE2 4.33Å; W483-G493 CarbonylContact C-O 3.58Å; W483-G493 VanDerWaalsContact CA-O 3.28Å; W483-G493 WeakPolarHBondContact CA-O 3.48Å; W483-L559 WeakPolarHBondContact O-CD1 3.42Å; W483-L588 HydrophobicContact CD2-CD2 3.53Å; W483-L588 HydrophobicContact CE3-CD2 3.87Å; W483-L588 HydrophobicContact CG-CD2 3.91Å; W483-L588 HydrophobicContact CH2-CD2 4.36Å; W483-L588 HydrophobicContact CZ2-CD2 4.06Å; W483-L588 HydrophobicContact CZ3-CD2 4.27Å; W483-N600 PolarHBondContact NE1-ND2 3.44Å; W483-Y602 AromaticContact CH2-CE1 3.85Å; W483-Y602 HydrophobicContact CH2-CE1 3.85Å; W483-Y602 AromaticContact CZ2-CE1 3.8Å; W483-Y602 HydrophobicContact CZ2-CE1 3.8Å
484	V	90.5	Very high	83.8	Confident	9 Å²	9	39.4 Å²	39.4	6%	0.055	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.5	177.5	-74.4	0	0	0	0	112.5	Y486 G493 M551 Y554 M555 L559	V484-Y486 HydrophobicContact CB-CD2 3.81Å; V484-Y486 HydrophobicContact CB-CE2 3.76Å; V484-Y486 HydrophobicContact CG1-CE2 4.19Å; V484-Y486 HydrophobicContact CG2-CD2 3.82Å; V484-Y486 HydrophobicContact CG2-CE2 3.95Å; V484-Y486 PolarHBondContact O-N 2.84Å; V484-G493 PolarHBondContact N-O 3.47Å; V484-G493 PolarHBondContact O-N 3.43Å; V484-M551 HydrophobicContact CG2-CB 3.98Å; V484-M551 HydrophobicContact CG2-CG 4Å; V484-M551 HydrophobicContact CG2-SD 3.78Å; V484-Y554 HydrophobicContact CG1-CD1 3.62Å; V484-Y554 HydrophobicContact CG1-CE1 3.78Å; V484-M555 HydrophobicContact CG1-CG 3.76Å; V484-M555 HydrophobicContact CG1-SD 4.38Å; V484-M555 HydrophobicContact CG2-CE 4.46Å; V484-M555 HydrophobicContact CG2-CG 4.17Å; V484-M555 HydrophobicContact CG2-SD 4.02Å; V484-L559 HydrophobicContact CG1-CD1 4.16Å
485	D	87.8	Confident	85	Confident	47 Å²	47	37.6 Å²	37.6	25%	0.251	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	87.7	179.3	179.6	10.9	0	0	0	110.5	W483 S487 F492 K583	W483-D485 HydrophobicContact CZ3-CB 4.24Å; D485-S487 WeakPolarHBondContact OD1-CB 3.43Å; D485-S487 PolarHBondContact OD1-N 2.87Å; D485-S487 PolarHBondContact OD1-OG 2.68Å; D485-F492 HydrophobicContact CB-CD2 4.35Å; D485-F492 HydrophobicContact CB-CE2 4.24Å; D485-K583 WeakPolarHBondContact OD2-CD 3.4Å; D485-K583 IonicContact OD2-NZ 2.69Å; D485-K583 PolarHBondContact OD2-NZ 2.79Å
486	Y	84.8	Confident	86.1	Confident	81 Å²	81	32 Å²	32	32%	0.318	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	27.5	170.8	-72.8	-75.4	0	0	0	111.5	V484 N488 K489 Y490 G491 M551	V484-Y486 HydrophobicContact CB-CD2 3.81Å; V484-Y486 HydrophobicContact CB-CE2 3.76Å; V484-Y486 HydrophobicContact CG1-CE2 4.19Å; V484-Y486 HydrophobicContact CG2-CD2 3.82Å; V484-Y486 HydrophobicContact CG2-CE2 3.95Å; V484-Y486 PolarHBondContact O-N 2.84Å; Y486-N488 PolarHBondContact O-N 3.37Å; Y486-N488 VanDerWaalsContact O-N 3.12Å; Y486-N488 PolarHBondContact O-OD1 3.03Å; Y486-K489 PolarHBondContact O-N 2.85Å; Y486-Y490 PolarHBondContact O-N 3.19Å; Y486-G491 CarbonylContact C-O 3.57Å; Y486-G491 VanDerWaalsContact CA-O 3.31Å; Y486-G491 WeakPolarHBondContact CA-O 3.22Å; Y486-G491 WeakPolarHBondContact CB-O 3.5Å; Y486-G491 PolarHBondContact N-O 3.1Å; Y486-G491 PolarHBondContact O-N 2.84Å; Y486-G491 VanDerWaalsContact O-N 3.13Å; Y486-M551 HydrophobicContact CD2-CE 3.89Å; Y486-M551 HydrophobicContact CD2-CG 4.09Å; Y486-M551 HydrophobicContact CD2-SD 3.99Å; Y486-M551 HydrophobicContact CE2-CG 4.39Å; Y486-M551 HydrophobicContact CG-CE 4.09Å
487	S	79.6	Confident	87	Confident	26 Å²	26	32.1 Å²	32.1	18%	0.182	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.4	-178.5	65.2	0	0	0	0	113	D485 K489 G491 N506 W581	D485-S487 WeakPolarHBondContact OD1-CB 3.43Å; D485-S487 PolarHBondContact OD1-N 2.87Å; D485-S487 PolarHBondContact OD1-OG 2.68Å; S487-K489 PolarHBondContact O-N 2.91Å; S487-G491 PolarHBondContact N-O 3.21Å; S487-G491 VanDerWaalsContact N-O 3.1Å; S487-N506 PolarHBondContact O-ND2 3.02Å; S487-N506 PolarHBondContact O-OD1 3.03Å; S487-W581 VanDerWaalsContact CB-CZ2 3.45Å; S487-W581 WeakPolarHBondContact OG-CH2 3.49Å
488	N	66.2	Low	87.2	Confident	137 Å²	137	33.6 Å²	33.6	73%	0.733	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-11	170.1	67.5	-10.4	0	0	0	114.8	Y486	Y486-N488 PolarHBondContact O-N 3.37Å; Y486-N488 VanDerWaalsContact O-N 3.12Å; Y486-N488 PolarHBondContact O-OD1 3.03Å
489	K	72.1	Confident	87.3	Confident	111 Å²	111	39.1 Å²	39.1	48%	0.483	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-151.1	-39.8	-172.8	-166.2	-177.5	-178.4	-164	0	115.8	Y486 S487	Y486-K489 PolarHBondContact O-N 2.85Å; S487-K489 PolarHBondContact O-N 2.91Å
490	Y	82.3	Confident	87.4	Confident	56 Å²	56	39.9 Å²	39.9	22%	0.22	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-49.9	-170.5	-60.7	-47.8	0	0	0	112.5	Y486 F505 N506 I547 M551	Y486-Y490 PolarHBondContact O-N 3.19Å; Y490-F505 WeakPolarHBondContact O-CA 3.18Å; Y490-N506 PolarHBondContact O-N 3Å; Y490-I547 HydrophobicContact CD1-CD1 3.73Å; Y490-I547 HydrophobicContact CD1-CG1 4.26Å; Y490-I547 HydrophobicContact CD1-CG2 4.42Å; Y490-I547 HydrophobicContact CD2-CG2 4.12Å; Y490-I547 HydrophobicContact CE1-CD1 3.93Å; Y490-I547 HydrophobicContact CE1-CG1 4.25Å; Y490-I547 HydrophobicContact CG-CD1 4.33Å; Y490-I547 HydrophobicContact CG-CG2 3.94Å; Y490-M551 HydrophobicContact CD2-CE 4.05Å; Y490-M551 HydrophobicContact CG-CE 4.36Å
491	G	88.8	Confident	87.5	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.2	-172.7	-167.2	0	0	0	0	0	113	Y486 S487 L504 N506	Y486-G491 CarbonylContact C-O 3.57Å; Y486-G491 VanDerWaalsContact CA-O 3.31Å; Y486-G491 WeakPolarHBondContact CA-O 3.22Å; Y486-G491 WeakPolarHBondContact CB-O 3.5Å; Y486-G491 PolarHBondContact N-O 3.1Å; Y486-G491 PolarHBondContact O-N 2.84Å; Y486-G491 VanDerWaalsContact O-N 3.13Å; S487-G491 PolarHBondContact N-O 3.21Å; S487-G491 VanDerWaalsContact N-O 3.1Å; G491-L504 CarbonylContact C-O 3.53Å; G491-L504 WeakPolarHBondContact CA-O 3.31Å; G491-N506 WeakPolarHBondContact CA-OD1 3.24Å; G491-N506 PolarHBondContact N-OD1 3.22Å
492	F	94.3	Very high	87.6	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.3	176.9	-170.3	-84.3	0	0	0	110	W483 D485 V503 L504 L578 W581 L588 M590	W483-F492 HydrophobicContact CB-CE1 3.86Å; W483-F492 HydrophobicContact CB-CZ 3.69Å; W483-F492 AromaticContact CD2-CZ 3.93Å; W483-F492 HydrophobicContact CD2-CZ 3.93Å; W483-F492 AromaticContact CE3-CE2 3.73Å; W483-F492 HydrophobicContact CE3-CE2 3.73Å; W483-F492 AromaticContact CE3-CZ 3.57Å; W483-F492 HydrophobicContact CE3-CZ 3.57Å; W483-F492 AromaticContact CG-CZ 3.99Å; W483-F492 HydrophobicContact CG-CZ 3.99Å; W483-F492 HydrophobicContact CZ3-CE2 4.33Å; D485-F492 HydrophobicContact CB-CD2 4.35Å; D485-F492 HydrophobicContact CB-CE2 4.24Å; F492-V503 WeakPolarHBondContact O-CA 3.26Å; F492-L504 PolarHBondContact N-O 2.86Å; F492-L504 PolarHBondContact O-N 3.4Å; F492-L578 HydrophobicContact CD1-CD2 3.49Å; F492-L578 VanDerWaalsContact CD1-CD2 3.49Å; F492-L578 HydrophobicContact CE1-CD2 4.02Å; F492-L578 HydrophobicContact CG-CD2 4.38Å; F492-W581 HydrophobicContact CB-CD2 4.26Å; F492-W581 HydrophobicContact CB-CG 4.28Å; F492-W581 HydrophobicContact CB-CZ2 4.27Å; F492-W581 VanDerWaalsContact CB-NE1 3.35Å; F492-W581 HydrophobicContact CD1-CG 4.37Å; F492-W581 AromaticContact CD2-CD2 3.55Å; F492-W581 HydrophobicContact CD2-CD2 3.55Å; F492-W581 AromaticContact CD2-CE2 3.69Å; F492-W581 AromaticContact CD2-CE3 3.79Å; F492-W581 HydrophobicContact CD2-CE3 3.79Å; F492-W581 AromaticContact CD2-CG 3.98Å; F492-W581 HydrophobicContact CD2-CG 3.98Å; F492-W581 HydrophobicContact CD2-CH2 4.28Å; F492-W581 HydrophobicContact CD2-CZ2 4.09Å; F492-W581 HydrophobicContact CD2-CZ3 4.13Å; F492-W581 HydrophobicContact CE2-CD2 4.1Å; F492-W581 AromaticContact CE2-CE3 4Å; F492-W581 HydrophobicContact CE2-CE3 4Å; F492-W581 HydrophobicContact CE2-CG 4.46Å; F492-W581 HydrophobicContact CE2-CZ3 4.44Å; F492-W581 AromaticContact CG-CD1 3.83Å; F492-W581 AromaticContact CG-CD2 3.94Å; F492-W581 HydrophobicContact CG-CD2 3.94Å; F492-W581 AromaticContact CG-CE2 3.91Å; F492-W581 AromaticContact CG-CG 3.94Å; F492-W581 HydrophobicContact CG-CG 3.94Å; F492-W581 AromaticContact CG-NE1 3.82Å; F492-L588 HydrophobicContact CE2-CD1 4.06Å; F492-L588 HydrophobicContact CE2-CD2 4.22Å; F492-L588 HydrophobicContact CZ-CD1 4.15Å; F492-L588 HydrophobicContact CZ-CD2 3.6Å; F492-M590 HydrophobicContact CE1-SD 4.04Å; F492-M590 HydrophobicContact CZ-SD 4.34Å
493	G	94.4	Very high	87.7	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142	179.5	0	0	0	0	0	112.1	W483 V484 G502	W483-G493 CarbonylContact C-O 3.58Å; W483-G493 VanDerWaalsContact CA-O 3.28Å; W483-G493 WeakPolarHBondContact CA-O 3.48Å; V484-G493 PolarHBondContact N-O 3.47Å; V484-G493 PolarHBondContact O-N 3.43Å; G493-G502 WeakPolarHBondContact CA-O 3.33Å
494	Y	94	Very high	87.7	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	141.7	-179.5	61.3	-87.1	0	0	0	111.6	V480 L496 I501 G502 P576 L578 F592	V480-Y494 HydrophobicContact CG2-CD2 4.28Å; Y494-L496 HydrophobicContact CD2-CD2 3.67Å; Y494-L496 HydrophobicContact CD2-CG 3.93Å; Y494-L496 HydrophobicContact CE2-CD1 4.1Å; Y494-L496 HydrophobicContact CE2-CD2 3.81Å; Y494-L496 HydrophobicContact CE2-CG 3.97Å; Y494-I501 WeakPolarHBondContact O-CA 3.34Å; Y494-G502 WeakPolarHBondContact CD1-O 3.4Å; Y494-G502 PolarHBondContact N-O 3.41Å; Y494-G502 PolarHBondContact O-N 3.39Å; Y494-P576 PolarHBondContact OH-O 2.99Å; Y494-L578 HydrophobicContact CD1-CB 4.05Å; Y494-L578 HydrophobicContact CD1-CD2 3.7Å; Y494-L578 HydrophobicContact CE1-CB 3.44Å; Y494-L578 VanDerWaalsContact CE1-CB 3.44Å; Y494-L578 HydrophobicContact CE1-CD2 3.9Å; Y494-L578 HydrophobicContact CE1-CG 4.33Å; Y494-L578 PolarHBondContact OH-N 2.92Å; Y494-F592 HydrophobicContact CD2-CE1 4.47Å; Y494-F592 AromaticContact CE2-CE1 3.98Å; Y494-F592 HydrophobicContact CE2-CE1 3.98Å
495	Q	92.8	Very high	87.5	Confident	12 Å²	12	35.3 Å²	35.3	6%	0.056	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.9	169.6	-177.6	168	35.7	0	0	108.9	V480 T481 K482 I501 M555	V480-Q495 CarbonylContact C-O 3.44Å; V480-Q495 WeakPolarHBondContact CA-O 3.14Å; T481-Q495 PolarHBondContact N-O 3.13Å; T481-Q495 PolarHBondContact OG1-O 3.23Å; K482-Q495 HydrophobicContact CB-CB 4.13Å; K482-Q495 VanDerWaalsContact CD-OE1 3.25Å; K482-Q495 VanDerWaalsContact CE-OE1 3.23Å; K482-Q495 HydrophobicContact CG-CB 4.49Å; K482-Q495 PolarHBondContact N-O 3.42Å; K482-Q495 PolarHBondContact O-N 3.2Å; Q495-I501 HydrophobicContact CB-CG1 4.14Å; Q495-I501 HydrophobicContact CG-CD1 4.41Å; Q495-I501 HydrophobicContact CG-CG1 3.9Å; Q495-M555 HydrophobicContact CB-CE 4.15Å; Q495-M555 HydrophobicContact CB-SD 4.2Å
496	L	90.7	Very high	87.4	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	165.1	-179	-63.4	177.5	0	0	0	111.6	I478 W479 V480 T481 Y494 N498 Q499 D500 P576	I478-L496 HydrophobicContact CG2-CB 3.76Å; I478-L496 HydrophobicContact CG2-CD1 3.89Å; I478-L496 HydrophobicContact CG2-CD2 4.06Å; I478-L496 HydrophobicContact CG2-CG 4.11Å; W479-L496 CarbonylContact O-C 3.46Å; W479-L496 VanDerWaalsContact O-CA 3.29Å; W479-L496 WeakPolarHBondContact O-CA 3.4Å; V480-L496 HydrophobicContact CG2-CD2 4.05Å; T481-L496 PolarHBondContact OG1-O 3.42Å; Y494-L496 HydrophobicContact CD2-CD2 3.67Å; Y494-L496 HydrophobicContact CD2-CG 3.93Å; Y494-L496 HydrophobicContact CE2-CD1 4.1Å; Y494-L496 HydrophobicContact CE2-CD2 3.81Å; Y494-L496 HydrophobicContact CE2-CG 3.97Å; L496-N498 VanDerWaalsContact CB-OD1 3.25Å; L496-N498 WeakPolarHBondContact CB-OD1 3.31Å; L496-N498 PolarHBondContact O-N 3.24Å; L496-Q499 WeakPolarHBondContact O-CA 3.49Å; L496-Q499 PolarHBondContact O-N 3.44Å; L496-D500 HydrophobicContact CB-CB 4.4Å; L496-D500 WeakPolarHBondContact CB-O 3.09Å; L496-D500 HydrophobicContact CD1-CB 4.17Å; L496-D500 PolarHBondContact N-O 2.9Å; L496-P576 HydrophobicContact CD1-CG 3.89Å; L496-P576 HydrophobicContact CD2-CG 4.34Å
497	S	87.3	Confident	87.2	Confident	22 Å²	22	38.8 Å²	38.8	15%	0.154	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.7	-179	53.2	0	0	0	0	114.9	F477 I478 W479 Q499	F477-S497 PolarHBondContact O-OG 2.93Å; I478-S497 WeakPolarHBondContact CA-OG 3.32Å; W479-S497 PolarHBondContact N-OG 3.01Å; W479-S497 PolarHBondContact O-N 3.13Å; S497-Q499 VanDerWaalsContact C-N 3.29Å
498	N	85.5	Confident	87.3	Confident	56 Å²	56	38.1 Å²	38.1	30%	0.299	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	14.1	168.7	69.8	-27.3	0	0	0	112.9	L496 D500	L496-N498 VanDerWaalsContact CB-OD1 3.25Å; L496-N498 WeakPolarHBondContact CB-OD1 3.31Å; L496-N498 PolarHBondContact O-N 3.24Å; N498-D500 PolarHBondContact ND2-OD2 2.87Å; N498-D500 PolarHBondContact O-N 3.12Å; N498-D500 WeakPolarHBondContact OD1-CB 3.36Å; N498-D500 PolarHBondContact OD1-N 2.95Å
499	Q	87	Confident	88.3	Confident	145 Å²	145	32.4 Å²	32.4	68%	0.678	16%	0.159	S	C	*	.	S	Bend	trans	67.6	-0.2	-175.4	-50.3	-179.1	9.3	0	0	116.4	L496 S497 I501	L496-Q499 WeakPolarHBondContact O-CA 3.49Å; L496-Q499 PolarHBondContact O-N 3.44Å; S497-Q499 VanDerWaalsContact C-N 3.29Å; Q499-I501 WeakPolarHBondContact O-CG1 3.43Å
500	D	90.6	Very high	89.2	Confident	19 Å²	19	27.3 Å²	27.3	10%	0.102	14%	0.137	C	C	.	.			trans	-62.7	147.4	171.6	-71.7	-11.6	0	0	0	111.2	L496 N498 C514 D515	L496-D500 HydrophobicContact CB-CB 4.4Å; L496-D500 WeakPolarHBondContact CB-O 3.09Å; L496-D500 HydrophobicContact CD1-CB 4.17Å; L496-D500 PolarHBondContact N-O 2.9Å; N498-D500 PolarHBondContact ND2-OD2 2.87Å; N498-D500 PolarHBondContact O-N 3.12Å; N498-D500 WeakPolarHBondContact OD1-CB 3.36Å; N498-D500 PolarHBondContact OD1-N 2.95Å; D500-C514 WeakPolarHBondContact OD1-CA 3.44Å; D500-C514 PolarHBondContact OD2-SG 2.9Å; D500-D515 PolarHBondContact OD1-N 3.25Å
501	I	92.5	Very high	89.7	Confident	3 Å²	3	24.7 Å²	24.7	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	116.6	-172.9	-60.3	171.3	0	0	0	110.5	Y494 Q495 Q499 S512 L513 V548 A552 M555	Y494-I501 WeakPolarHBondContact O-CA 3.34Å; Q495-I501 HydrophobicContact CB-CG1 4.14Å; Q495-I501 HydrophobicContact CG-CD1 4.41Å; Q495-I501 HydrophobicContact CG-CG1 3.9Å; Q499-I501 WeakPolarHBondContact O-CG1 3.43Å; I501-S512 CarbonylContact O-C 3.45Å; I501-S512 VanDerWaalsContact O-CA 3.27Å; I501-S512 WeakPolarHBondContact O-CA 3.41Å; I501-L513 PolarHBondContact N-O 3.38Å; I501-L513 PolarHBondContact O-N 2.95Å; I501-V548 HydrophobicContact CG2-CG1 4.01Å; I501-A552 HydrophobicContact CB-CB 4.42Å; I501-A552 HydrophobicContact CD1-CB 3.37Å; I501-A552 HydrophobicContact CG1-CB 4.43Å; I501-A552 HydrophobicContact CG2-CB 3.97Å; I501-M555 HydrophobicContact CG2-CE 3.62Å
502	G	92.8	Very high	89.9	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	151.5	-179.3	0	0	0	0	0	113.1	G493 Y494	G493-G502 WeakPolarHBondContact CA-O 3.33Å; Y494-G502 WeakPolarHBondContact CD1-O 3.4Å; Y494-G502 PolarHBondContact N-O 3.41Å; Y494-G502 PolarHBondContact O-N 3.39Å
503	V	94.3	Very high	89.8	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.9	165.3	176.9	0	0	0	0	109.3	F492 F505 H510 L511 V548 M551	F492-V503 WeakPolarHBondContact O-CA 3.26Å; V503-F505 HydrophobicContact CB-CD2 4.28Å; V503-F505 HydrophobicContact CB-CE2 3.8Å; V503-F505 HydrophobicContact CB-CZ 4.15Å; V503-F505 HydrophobicContact CG1-CD1 4.32Å; V503-F505 HydrophobicContact CG1-CD2 3.88Å; V503-F505 HydrophobicContact CG1-CE1 4.22Å; V503-F505 HydrophobicContact CG1-CE2 3.74Å; V503-F505 HydrophobicContact CG1-CG 4.16Å; V503-F505 HydrophobicContact CG1-CZ 3.92Å; V503-H510 WeakPolarHBondContact O-CA 3.1Å; V503-L511 PolarHBondContact N-O 3.09Å; V503-L511 PolarHBondContact O-N 2.86Å; V503-L511 VanDerWaalsContact O-N 3.16Å; V503-V548 HydrophobicContact CB-CG2 3.93Å; V503-V548 HydrophobicContact CG2-CB 4.19Å; V503-V548 HydrophobicContact CG2-CG1 4.11Å; V503-V548 HydrophobicContact CG2-CG2 3.71Å; V503-M551 HydrophobicContact CG1-CE 4.31Å; V503-M551 HydrophobicContact CG1-SD 4.34Å; V503-M551 HydrophobicContact CG2-CE 4.45Å; V503-M551 HydrophobicContact CG2-SD 3.62Å
504	L	92.8	Very high	89.5	Confident	5 Å²	5	25.3 Å²	25.3	3%	0.026	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	111.3	159.3	163.9	59.6	0	0	0	107.2	G491 F492	G491-L504 CarbonylContact C-O 3.53Å; G491-L504 WeakPolarHBondContact CA-O 3.31Å; F492-L504 PolarHBondContact N-O 2.86Å; F492-L504 PolarHBondContact O-N 3.4Å
505	F	88.1	Confident	89.1	Confident	14 Å²	14	29 Å²	29	6%	0.061	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	155.5	177.8	-70.6	-96.9	0	0	0	111.2	Y490 V503 E507 G508 T509 L511 Q544 I547 V548	Y490-F505 WeakPolarHBondContact O-CA 3.18Å; V503-F505 HydrophobicContact CB-CD2 4.28Å; V503-F505 HydrophobicContact CB-CE2 3.8Å; V503-F505 HydrophobicContact CB-CZ 4.15Å; V503-F505 HydrophobicContact CG1-CD1 4.32Å; V503-F505 HydrophobicContact CG1-CD2 3.88Å; V503-F505 HydrophobicContact CG1-CE1 4.22Å; V503-F505 HydrophobicContact CG1-CE2 3.74Å; V503-F505 HydrophobicContact CG1-CG 4.16Å; V503-F505 HydrophobicContact CG1-CZ 3.92Å; F505-E507 PolarHBondContact O-N 3.3Å; F505-G508 PolarHBondContact O-N 3.32Å; F505-T509 WeakPolarHBondContact CB-O 3.47Å; F505-T509 WeakPolarHBondContact CD2-O 3.22Å; F505-T509 PolarHBondContact N-O 3.49Å; F505-L511 HydrophobicContact CE2-CB 3.82Å; F505-Q544 HydrophobicContact CD1-CG 4.48Å; F505-Q544 HydrophobicContact CE1-CB 4.1Å; F505-Q544 HydrophobicContact CE1-CG 3.96Å; F505-Q544 HydrophobicContact CE2-CB 4.24Å; F505-Q544 HydrophobicContact CE2-CG 4.48Å; F505-Q544 HydrophobicContact CZ-CB 3.67Å; F505-Q544 HydrophobicContact CZ-CG 3.97Å; F505-I547 HydrophobicContact CE1-CB 4.16Å; F505-I547 HydrophobicContact CE1-CD1 4.11Å; F505-I547 HydrophobicContact CE1-CG2 3.88Å; F505-I547 HydrophobicContact CZ-CB 4.4Å; F505-I547 HydrophobicContact CZ-CG2 4.27Å; F505-V548 HydrophobicContact CE2-CG2 4.26Å; F505-V548 HydrophobicContact CZ-CG2 4.05Å
506	N	83.8	Confident	88.7	Confident	74 Å²	74	36.1 Å²	36.1	40%	0.396	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.3	178.3	-75.4	-6.3	0	0	0	113.2	S487 Y490 G491 G508	S487-N506 PolarHBondContact O-ND2 3.02Å; S487-N506 PolarHBondContact O-OD1 3.03Å; Y490-N506 PolarHBondContact O-N 3Å; G491-N506 WeakPolarHBondContact CA-OD1 3.24Å; G491-N506 PolarHBondContact N-OD1 3.22Å; N506-G508 PolarHBondContact O-N 2.9Å
507	E	81.4	Confident	88.7	Confident	128 Å²	128	39.4 Å²	39.4	60%	0.598	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	6.7	175.9	-50.9	-54.6	123.4	0	0	113.5	H154 F505 T509 T525	H154-E507 IonicContact CD2-OE1 2.65Å; F505-E507 PolarHBondContact O-N 3.3Å; E507-T509 VanDerWaalsContact C-N 3.34Å; E507-T509 PolarHBondContact O-N 2.86Å; E507-T525 WeakPolarHBondContact O-CG2 3.48Å
508	G	81.6	Confident	88.7	Confident	11 Å²	11	42.6 Å²	42.6	11%	0.113	21%	0.207	C	C	.	.	S	Bend	trans	78.9	5.2	176.3	0	0	0	0	0	116	F505 N506	F505-G508 PolarHBondContact O-N 3.32Å; N506-G508 PolarHBondContact O-N 2.9Å
509	T	87.8	Confident	88.9	Confident	17 Å²	17	40.8 Å²	40.8	10%	0.104	20%	0.199	C	C	.	.			trans	-85.7	155.7	170.5	61.3	0	0	0	0	111.3	F505 E507 C523 T525 Q544	F505-T509 WeakPolarHBondContact CB-O 3.47Å; F505-T509 WeakPolarHBondContact CD2-O 3.22Å; F505-T509 PolarHBondContact N-O 3.49Å; E507-T509 VanDerWaalsContact C-N 3.34Å; E507-T509 PolarHBondContact O-N 2.86Å; T509-C523 WeakPolarHBondContact CA-O 3.33Å; T509-C523 WeakPolarHBondContact CB-O 3.25Å; T509-T525 HydrophobicContact CG2-CG2 4.13Å; T509-Q544 PolarHBondContact OG1-NE2 3.42Å
510	H	90.6	Very high	89.2	Confident	5 Å²	5	33.9 Å²	33.9	2%	0.023	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142.3	173	-61	78.9	0	0	0	111	V503 Y522 C523 L577 L578	V503-H510 WeakPolarHBondContact O-CA 3.1Å; H510-Y522 WeakPolarHBondContact O-CA 3.31Å; H510-Y522 WeakPolarHBondContact O-CD2 3.36Å; H510-C523 HydrophobicContact CB-CB 4.14Å; H510-C523 PolarHBondContact N-O 3.37Å; H510-C523 PolarHBondContact O-N 3.28Å; H510-L577 HydrophobicContact CB-CD2 4.42Å; H510-L578 CovalentContact NE2-O 1.78Å; H510-L578 PolarHBondContact NE2-O 3.19Å
511	L	92.9	Very high	89.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.9	162	-165.1	150.9	0	0	0	108.7	V503 F505 L513 V520 H521 Y522 L541 Q544 V548	V503-L511 PolarHBondContact N-O 3.09Å; V503-L511 PolarHBondContact O-N 2.86Å; V503-L511 VanDerWaalsContact O-N 3.16Å; F505-L511 HydrophobicContact CE2-CB 3.82Å; L511-L513 HydrophobicContact CD2-CD2 4.11Å; L511-V520 HydrophobicContact CD1-CG1 4.05Å; L511-V520 HydrophobicContact CD2-CG1 3.68Å; L511-V520 HydrophobicContact CG-CG1 3.76Å; L511-H521 CarbonylContact C-O 3.46Å; L511-H521 WeakPolarHBondContact CA-O 3.27Å; L511-Y522 HydrophobicContact CB-CD2 4.35Å; L511-Y522 HydrophobicContact CD1-CD2 4.3Å; L511-L541 HydrophobicContact CD1-CB 4.43Å; L511-Q544 HydrophobicContact CD1-CB 3.85Å; L511-V548 HydrophobicContact CB-CG2 4.11Å; L511-V548 HydrophobicContact CD2-CB 4.23Å; L511-V548 HydrophobicContact CD2-CG2 3.63Å; L511-V548 HydrophobicContact CG-CG2 4.46Å
512	S	92.6	Very high	89	Confident	4 Å²	4	36.4 Å²	36.4	3%	0.028	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.6	178.2	-54.3	0	0	0	0	111.2	I501 V520 H521	I501-S512 CarbonylContact O-C 3.45Å; I501-S512 VanDerWaalsContact O-CA 3.27Å; I501-S512 WeakPolarHBondContact O-CA 3.41Å; S512-V520 WeakPolarHBondContact O-CA 3.14Å; S512-H521 PolarHBondContact N-O 2.93Å; S512-H521 PolarHBondContact O-N 3.08Å
513	L	92.1	Very high	88.7	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.6	171.3	-58	179	0	0	0	108.2	I501 L511 R517 V520 K545 V548 E549	I501-L513 PolarHBondContact N-O 3.38Å; I501-L513 PolarHBondContact O-N 2.95Å; L511-L513 HydrophobicContact CD2-CD2 4.11Å; L513-R517 HydrophobicContact CB-CB 4.32Å; L513-R517 HydrophobicContact CB-CG 4.19Å; L513-R517 HydrophobicContact CD1-CB 4.5Å; L513-R517 HydrophobicContact CD1-CG 4.25Å; L513-V520 HydrophobicContact CD2-CG2 3.9Å; L513-K545 HydrophobicContact CD2-CG 4.37Å; L513-V548 HydrophobicContact CD1-CB 4.18Å; L513-V548 HydrophobicContact CD1-CG1 3.8Å; L513-V548 HydrophobicContact CG-CB 4.27Å; L513-V548 HydrophobicContact CG-CG1 3.74Å; L513-E549 HydrophobicContact CD1-CG 3.72Å
514	C	89.6	Confident	88.1	Confident	7 Å²	7	39.8 Å²	39.8	5%	0.047	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	166	-176.5	-62.7	0	0	0	0	111	D500 R517 K518 T519	D500-C514 WeakPolarHBondContact OD1-CA 3.44Å; D500-C514 PolarHBondContact OD2-SG 2.9Å; C514-R517 PolarHBondContact O-N 2.92Å; C514-K518 PolarHBondContact O-N 2.92Å; C514-T519 PolarHBondContact N-O 3.38Å; C514-T519 PolarHBondContact O-N 3.44Å
515	D	85.2	Confident	87.3	Confident	78 Å²	78	43 Å²	43	42%	0.417	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	66.3	-176.7	173.3	28.6	0	0	0	111.6	D500 R517 K518	D500-D515 PolarHBondContact OD1-N 3.25Å; D515-R517 PolarHBondContact O-N 3.43Å; D515-K518 VanDerWaalsContact O-CB 3.25Å; D515-K518 WeakPolarHBondContact O-CB 3.32Å; D515-K518 VanDerWaalsContact O-CG 3.23Å; D515-K518 WeakPolarHBondContact O-CG 3.49Å; D515-K518 PolarHBondContact O-N 3.26Å; D515-K518 IonicContact OD1-NZ 2.64Å; D515-K518 PolarHBondContact OD1-NZ 3.05Å; D515-K518 IonicContact OD2-NZ 3.49Å; D515-K518 PolarHBondContact OD2-NZ 3.05Å
516	Q	84.6	Confident	86.4	Confident	162 Å²	162	46.2 Å²	46.2	76%	0.757	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	33.4	179.2	-56.9	168.9	-17.3	0	0	112.9	K518	Q516-K518 VanDerWaalsContact C-N 3.27Å; Q516-K518 PolarHBondContact O-N 2.74Å
517	R	88.9	Confident	85.7	Confident	73 Å²	73	45.2 Å²	45.2	28%	0.275	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	12.4	-175.3	-43.3	176	-175.4	-176	0.2	115.5	L513 C514 D515 A534 N553 E556	L513-R517 HydrophobicContact CB-CB 4.32Å; L513-R517 HydrophobicContact CB-CG 4.19Å; L513-R517 HydrophobicContact CD1-CB 4.5Å; L513-R517 HydrophobicContact CD1-CG 4.25Å; C514-R517 PolarHBondContact O-N 2.92Å; D515-R517 PolarHBondContact O-N 3.43Å; R517-A534 WeakPolarHBondContact O-CB 3.43Å; R517-N553 PolarHBondContact NH1-OD1 2.93Å; R517-N553 PolarHBondContact NH2-OD1 2.8Å; R517-N553 VanDerWaalsContact NH2-OD1 3.16Å; R517-E556 IonicContact CZ-OE1 3.92Å; R517-E556 IonicContact CZ-OE2 3.8Å; R517-E556 IonicContact NH2-OE1 2.71Å; R517-E556 PolarHBondContact NH2-OE1 2.66Å; R517-E556 IonicContact NH2-OE2 2.83Å; R517-E556 PolarHBondContact NH2-OE2 3.07Å
518	K	88.1	Confident	85.4	Confident	89 Å²	89	45.1 Å²	45.1	39%	0.387	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-30.4	174.7	-58.1	-178.7	-146.1	104.3	0	112.5	C514 D515 Q516 A534	C514-K518 PolarHBondContact O-N 2.92Å; D515-K518 VanDerWaalsContact O-CB 3.25Å; D515-K518 WeakPolarHBondContact O-CB 3.32Å; D515-K518 VanDerWaalsContact O-CG 3.23Å; D515-K518 WeakPolarHBondContact O-CG 3.49Å; D515-K518 PolarHBondContact O-N 3.26Å; D515-K518 IonicContact OD1-NZ 2.64Å; D515-K518 PolarHBondContact OD1-NZ 3.05Å; D515-K518 IonicContact OD2-NZ 3.49Å; D515-K518 PolarHBondContact OD2-NZ 3.05Å; Q516-K518 VanDerWaalsContact C-N 3.27Å; Q516-K518 PolarHBondContact O-N 2.74Å; K518-A534 WeakPolarHBondContact O-CB 3.28Å; K518-A534 PolarHBondContact O-N 2.81Å
519	T	90.8	Very high	85.4	Confident	19 Å²	19	48.8 Å²	48.8	12%	0.117	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.2	-178.8	-60.4	0	0	0	0	110.7	C514 T531 Q533	C514-T519 PolarHBondContact N-O 3.38Å; C514-T519 PolarHBondContact O-N 3.44Å; T519-T531 HydrophobicContact CG2-CG2 3.63Å; T519-Q533 PolarHBondContact OG1-NE2 2.69Å
520	V	91.5	Very high	85.3	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.9	176.3	-176.8	0	0	0	0	109.1	L511 S512 L513 T531 F532 A534 L537	L511-V520 HydrophobicContact CD1-CG1 4.05Å; L511-V520 HydrophobicContact CD2-CG1 3.68Å; L511-V520 HydrophobicContact CG-CG1 3.76Å; S512-V520 WeakPolarHBondContact O-CA 3.14Å; L513-V520 HydrophobicContact CD2-CG2 3.9Å; V520-T531 WeakPolarHBondContact O-CA 3.45Å; V520-F532 HydrophobicContact CB-CB 4.48Å; V520-F532 PolarHBondContact N-O 3.35Å; V520-F532 PolarHBondContact O-N 3.02Å; V520-A534 HydrophobicContact CG2-CB 3.85Å; V520-L537 HydrophobicContact CB-CD1 4.12Å; V520-L537 HydrophobicContact CG1-CD1 3.84Å; V520-L537 HydrophobicContact CG2-CD1 4.45Å
521	H	90.8	Very high	85.3	Confident	47 Å²	47	56 Å²	56	22%	0.218	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.2	167.9	-65.1	-78.4	0	0	0	109.5	L511 S512 F530 T531	L511-H521 CarbonylContact C-O 3.46Å; L511-H521 WeakPolarHBondContact CA-O 3.27Å; S512-H521 PolarHBondContact N-O 2.93Å; S512-H521 PolarHBondContact O-N 3.08Å; H521-F530 WeakPolarHBondContact CA-O 3.33Å; H521-T531 VanDerWaalsContact CE1-CG2 3.46Å; H521-T531 WeakPolarHBondContact CE1-CG2 3.5Å; H521-T531 PolarHBondContact CE1-OG1 2.84Å; H521-T531 PolarHBondContact ND1-OG1 2.84Å
522	Y	89.4	Confident	85.1	Confident	28 Å²	28	58.2 Å²	58.2	11%	0.11	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.6	176.1	176.2	-111.7	0	0	0	109.4	H510 L511 M524 F530 L541	H510-Y522 WeakPolarHBondContact O-CA 3.31Å; H510-Y522 WeakPolarHBondContact O-CD2 3.36Å; L511-Y522 HydrophobicContact CB-CD2 4.35Å; L511-Y522 HydrophobicContact CD1-CD2 4.3Å; Y522-M524 HydrophobicContact CD1-CG 4.27Å; Y522-M524 HydrophobicContact CE1-CG 3.52Å; Y522-M524 HydrophobicContact CE1-SD 4.43Å; Y522-F530 HydrophobicContact CD1-CD2 4.06Å; Y522-F530 PolarHBondContact N-O 2.92Å; Y522-F530 PolarHBondContact O-N 3.35Å; Y522-L541 HydrophobicContact CD1-CD1 3.84Å; Y522-L541 HydrophobicContact CD1-CD2 4.18Å; Y522-L541 HydrophobicContact CD2-CD1 4.27Å; Y522-L541 HydrophobicContact CD2-CD2 3.92Å; Y522-L541 HydrophobicContact CE1-CD1 4.31Å; Y522-L541 HydrophobicContact CE1-CD2 3.9Å; Y522-L541 HydrophobicContact CE2-CD2 3.63Å; Y522-L541 HydrophobicContact CG-CD1 3.81Å; Y522-L541 HydrophobicContact CG-CD2 4.19Å
523	C	85.3	Confident	85.1	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.02	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127	175.9	-162.8	0	0	0	0	110.2	T509 H510 H529 L577	T509-C523 WeakPolarHBondContact CA-O 3.33Å; T509-C523 WeakPolarHBondContact CB-O 3.25Å; H510-C523 HydrophobicContact CB-CB 4.14Å; H510-C523 PolarHBondContact N-O 3.37Å; H510-C523 PolarHBondContact O-N 3.28Å; C523-H529 PolarHBondContact SG-CE1 3.02Å; C523-H529 PolarHBondContact SG-NE2 3.16Å; C523-H529 VanDerWaalsContact SG-NE2 3.42Å; C523-L577 HydrophobicContact CB-CD1 3.98Å
524	M	81.4	Confident	84.9	Confident	68 Å²	68	64 Å²	64	34%	0.335	31%	0.314	S	S	.	.			trans	-80.7	161.7	175.3	-64.5	-170.5	80.4	0	0	111.2	Y522 N526 N527 K528 F530	Y522-M524 HydrophobicContact CD1-CG 4.27Å; Y522-M524 HydrophobicContact CE1-CG 3.52Å; Y522-M524 HydrophobicContact CE1-SD 4.43Å; M524-N526 VanDerWaalsContact CB-OD1 3.22Å; M524-N526 WeakPolarHBondContact CB-OD1 3.24Å; M524-N526 PolarHBondContact O-N 2.77Å; M524-N527 WeakPolarHBondContact O-CA 3.49Å; M524-N527 PolarHBondContact O-N 1.78Å; M524-K528 HydrophobicContact CB-CB 4.37Å; M524-K528 PolarHBondContact N-O 2.89Å; M524-F530 HydrophobicContact CG-CD2 4.43Å; M524-F530 HydrophobicContact CG-CE2 3.93Å; M524-F530 HydrophobicContact SD-CE2 3.69Å; M524-F530 HydrophobicContact SD-CZ 4.28Å
525	T	76.1	Confident	84.8	Confident	72 Å²	72	69.2 Å²	69.2	44%	0.442	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-21	177.9	45.3	0	0	0	0	115	E507 T509 N527	E507-T525 WeakPolarHBondContact O-CG2 3.48Å; T509-T525 HydrophobicContact CG2-CG2 4.13Å; T525-N527 VanDerWaalsContact C-N 3.34Å
526	N	69.8	Low	85.1	Confident	83 Å²	83	68.7 Å²	68.7	44%	0.444	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	26.1	174.8	63	2	0	0	0	112.9	M524 K528	M524-N526 VanDerWaalsContact CB-OD1 3.22Å; M524-N526 WeakPolarHBondContact CB-OD1 3.24Å; M524-N526 PolarHBondContact O-N 2.77Å; N526-K528 PolarHBondContact O-N 3.41Å; N526-K528 WeakPolarHBondContact OD1-CB 3.48Å; N526-K528 WeakPolarHBondContact OD1-CG 3.44Å; N526-K528 PolarHBondContact OD1-N 3Å
527	N	69.3	Low	85.3	Confident	53 Å²	53	62 Å²	62	28%	0.283	33%	0.326	S	S	.	.			trans	53.5	20.7	-177.5	-64.5	-12.9	0	0	0	115.3	C437 M524 T525 H529	C437-N527 WeakPolarHBondContact CB-ND2 3.41Å; C437-N527 PolarHBondContact SG-ND2 2.87Å; M524-N527 WeakPolarHBondContact O-CA 3.49Å; M524-N527 PolarHBondContact O-N 1.78Å; T525-N527 VanDerWaalsContact C-N 3.34Å; N527-H529 PolarHBondContact O-CE1 2.91Å; N527-H529 PolarHBondContact O-N 3.2Å; N527-H529 PolarHBondContact O-ND1 2.98Å
528	K	74.2	Confident	85.2	Confident	125 Å²	125	60.6 Å²	60.6	54%	0.543	33%	0.327	S	S	.	.			trans	-76.1	113.1	170.4	-69.3	-169.4	178.6	-169.3	0	109.9	M524 N526 F530	M524-K528 HydrophobicContact CB-CB 4.37Å; M524-K528 PolarHBondContact N-O 2.89Å; N526-K528 PolarHBondContact O-N 3.41Å; N526-K528 WeakPolarHBondContact OD1-CB 3.48Å; N526-K528 WeakPolarHBondContact OD1-CG 3.44Å; N526-K528 PolarHBondContact OD1-N 3Å; K528-F530 HydrophobicContact CB-CE2 3.75Å; K528-F530 HydrophobicContact CB-CZ 4.21Å; K528-F530 WeakPolarHBondContact O-CD2 3.34Å; K528-F530 WeakPolarHBondContact O-CE2 3.42Å
529	H	81.7	Confident	84.9	Confident	88 Å²	88	64.4 Å²	64.4	41%	0.407	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	137	-179.5	-66.3	74.7	0	0	0	110.7	C523 N527 L577	C523-H529 PolarHBondContact SG-CE1 3.02Å; C523-H529 PolarHBondContact SG-NE2 3.16Å; C523-H529 VanDerWaalsContact SG-NE2 3.42Å; N527-H529 PolarHBondContact O-CE1 2.91Å; N527-H529 PolarHBondContact O-N 3.2Å; N527-H529 PolarHBondContact O-ND1 2.98Å; H529-L577 WeakPolarHBondContact NE2-CD1 3.4Å
530	F	85.9	Confident	84.6	Confident	85 Å²	85	70.3 Å²	70.3	37%	0.373	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.5	175.4	-58.8	-93.8	0	0	0	109.1	H521 Y522 M524 K528 F532	H521-F530 WeakPolarHBondContact CA-O 3.33Å; Y522-F530 HydrophobicContact CD1-CD2 4.06Å; Y522-F530 PolarHBondContact N-O 2.92Å; Y522-F530 PolarHBondContact O-N 3.35Å; M524-F530 HydrophobicContact CG-CD2 4.43Å; M524-F530 HydrophobicContact CG-CE2 3.93Å; M524-F530 HydrophobicContact SD-CE2 3.69Å; M524-F530 HydrophobicContact SD-CZ 4.28Å; K528-F530 HydrophobicContact CB-CE2 3.75Å; K528-F530 HydrophobicContact CB-CZ 4.21Å; K528-F530 WeakPolarHBondContact O-CD2 3.34Å; K528-F530 WeakPolarHBondContact O-CE2 3.42Å; F530-F532 HydrophobicContact CB-CD2 4.39Å; F530-F532 HydrophobicContact CB-CE2 3.52Å; F530-F532 HydrophobicContact CB-CZ 3.71Å; F530-F532 HydrophobicContact CD1-CZ 4.49Å; F530-F532 HydrophobicContact CG-CE2 4.48Å; F530-F532 HydrophobicContact CG-CZ 4.32Å
531	T	90.4	Very high	84.3	Confident	89 Å²	89	71 Å²	71	55%	0.546	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.8	177.6	-56.1	0	0	0	0	108.6	T519 V520 H521	T519-T531 HydrophobicContact CG2-CG2 3.63Å; V520-T531 WeakPolarHBondContact O-CA 3.45Å; H521-T531 VanDerWaalsContact CE1-CG2 3.46Å; H521-T531 WeakPolarHBondContact CE1-CG2 3.5Å; H521-T531 PolarHBondContact CE1-OG1 2.84Å; H521-T531 PolarHBondContact ND1-OG1 2.84Å
532	F	90.1	Very high	84.1	Confident	47 Å²	47	71 Å²	71	21%	0.206	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.4	-179.9	-54.2	-82.3	0	0	0	110.1	V520 F530 L537 P538 L541	V520-F532 HydrophobicContact CB-CB 4.48Å; V520-F532 PolarHBondContact N-O 3.35Å; V520-F532 PolarHBondContact O-N 3.02Å; F530-F532 HydrophobicContact CB-CD2 4.39Å; F530-F532 HydrophobicContact CB-CE2 3.52Å; F530-F532 HydrophobicContact CB-CZ 3.71Å; F530-F532 HydrophobicContact CD1-CZ 4.49Å; F530-F532 HydrophobicContact CG-CE2 4.48Å; F530-F532 HydrophobicContact CG-CZ 4.32Å; F532-L537 HydrophobicContact CB-CD1 3.88Å; F532-L537 HydrophobicContact CD2-CD1 3.61Å; F532-L537 HydrophobicContact CE2-CD1 4.32Å; F532-L537 HydrophobicContact CG-CD1 3.85Å; F532-P538 HydrophobicContact CD1-CG 4.2Å; F532-P538 HydrophobicContact CE1-CG 3.67Å; F532-P538 HydrophobicContact CZ-CG 3.97Å; F532-L541 HydrophobicContact CD2-CD1 4.31Å; F532-L541 HydrophobicContact CE2-CD1 3.65Å; F532-L541 HydrophobicContact CZ-CD1 4.21Å
533	Q	92.3	Very high	83.8	Confident	108 Å²	108	73 Å²	73	51%	0.505	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	139.9	160.2	-73.4	-64.9	-56.1	0	0	108.8	T519 S535 A536 L537	T519-Q533 PolarHBondContact OG1-NE2 2.69Å; Q533-S535 PolarHBondContact O-N 2.86Å; Q533-A536 HydrophobicContact CB-CB 4.38Å; Q533-A536 CarbonylContact O-C 3.55Å; Q533-A536 PolarHBondContact O-N 2.83Å; Q533-L537 PolarHBondContact O-N 2.99Å
534	A	87.6	Confident	84	Confident	19 Å²	19	74.3 Å²	74.3	16%	0.157	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.2	-172.4	0	0	0	0	0	114.4	R517 K518 V520 K545	R517-A534 WeakPolarHBondContact O-CB 3.43Å; K518-A534 WeakPolarHBondContact O-CB 3.28Å; K518-A534 PolarHBondContact O-N 2.81Å; V520-A534 HydrophobicContact CG2-CB 3.85Å; A534-K545 PolarHBondContact O-NZ 3.04Å
535	S	88.1	Confident	84.5	Confident	117 Å²	117	73 Å²	73	82%	0.818	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-16.3	171.2	51.7	0	0	0	0	114.2	Q533	Q533-S535 PolarHBondContact O-N 2.86Å
536	A	90.4	Very high	85.1	Confident	68 Å²	68	75.7 Å²	75.7	56%	0.562	41%	0.405	S	S	*	.	S	Bend	trans	-121.1	28.1	-176.1	0	0	0	0	0	112.1	Q533	Q533-A536 HydrophobicContact CB-CB 4.38Å; Q533-A536 CarbonylContact O-C 3.55Å; Q533-A536 PolarHBondContact O-N 2.83Å
537	L	88.9	Confident	86	Confident	20 Å²	20	73.2 Å²	73.2	11%	0.105	39%	0.391	C	S	.	.			trans	-74.6	134.1	178.1	-171.9	71.8	0	0	0	110.4	V520 F532 Q533 L541 K545	V520-L537 HydrophobicContact CB-CD1 4.12Å; V520-L537 HydrophobicContact CG1-CD1 3.84Å; V520-L537 HydrophobicContact CG2-CD1 4.45Å; F532-L537 HydrophobicContact CB-CD1 3.88Å; F532-L537 HydrophobicContact CD2-CD1 3.61Å; F532-L537 HydrophobicContact CE2-CD1 4.32Å; F532-L537 HydrophobicContact CG-CD1 3.85Å; Q533-L537 PolarHBondContact O-N 2.99Å; L537-L541 HydrophobicContact CD1-CB 3.98Å; L537-L541 HydrophobicContact CD1-CD1 3.97Å; L537-L541 HydrophobicContact CD2-CB 3.94Å; L537-L541 HydrophobicContact CG-CB 3.91Å; L537-K545 HydrophobicContact CD2-CB 3.67Å; L537-K545 HydrophobicContact CD2-CD 3.69Å; L537-K545 HydrophobicContact CD2-CG 4.25Å
538	P	86.1	Confident	87.1	Confident	45 Å²	45	70.7 Å²	70.7	29%	0.292	38%	0.378	S	S	.	.			trans	-59.3	140.8	174.7	-24.8	34.6	0	0	0	112.7	F532 Q540 L541 C542	F532-P538 HydrophobicContact CD1-CG 4.2Å; F532-P538 HydrophobicContact CE1-CG 3.67Å; F532-P538 HydrophobicContact CZ-CG 3.97Å; P538-Q540 VanDerWaalsContact CB-OE1 3.28Å; P538-Q540 PolarHBondContact O-N 2.88Å; P538-L541 PolarHBondContact O-N 3.11Å; P538-C542 PolarHBondContact O-N 3.28Å
539	E	81.9	Confident	87.9	Confident	168 Å²	168	67.5 Å²	67.5	79%	0.785	37%	0.365	S	S	*	.	H	α-helix	trans	-52.4	-33.5	-175.8	-63.7	-171.4	147.4	0	0	113.6	L541 C542	E539-L541 PolarHBondContact O-N 3.05Å; E539-C542 WeakPolarHBondContact O-CB 3.45Å; E539-C542 PolarHBondContact O-N 3.26Å
540	Q	84.8	Confident	88.2	Confident	143 Å²	143	68.2 Å²	68.2	67%	0.668	37%	0.371	S	S	*	.	H	α-helix	trans	-61.8	-30.1	179.6	-58.1	78.9	10.3	0	0	112.4	P538	P538-Q540 VanDerWaalsContact CB-OE1 3.28Å; P538-Q540 PolarHBondContact O-N 2.88Å
541	L	86.7	Confident	88.4	Confident	15 Å²	15	64.3 Å²	64.3	8%	0.079	35%	0.354	C	S	.	.	H	α-helix	trans	-94.7	-10.8	-179.4	-59	-178.2	0	0	0	113	L511 Y522 F532 L537 P538 E539 S543 Q544 K545	L511-L541 HydrophobicContact CD1-CB 4.43Å; Y522-L541 HydrophobicContact CD1-CD1 3.84Å; Y522-L541 HydrophobicContact CD1-CD2 4.18Å; Y522-L541 HydrophobicContact CD2-CD1 4.27Å; Y522-L541 HydrophobicContact CD2-CD2 3.92Å; Y522-L541 HydrophobicContact CE1-CD1 4.31Å; Y522-L541 HydrophobicContact CE1-CD2 3.9Å; Y522-L541 HydrophobicContact CE2-CD2 3.63Å; Y522-L541 HydrophobicContact CG-CD1 3.81Å; Y522-L541 HydrophobicContact CG-CD2 4.19Å; F532-L541 HydrophobicContact CD2-CD1 4.31Å; F532-L541 HydrophobicContact CE2-CD1 3.65Å; F532-L541 HydrophobicContact CZ-CD1 4.21Å; L537-L541 HydrophobicContact CD1-CB 3.98Å; L537-L541 HydrophobicContact CD1-CD1 3.97Å; L537-L541 HydrophobicContact CD2-CB 3.94Å; L537-L541 HydrophobicContact CG-CB 3.91Å; P538-L541 PolarHBondContact O-N 3.11Å; E539-L541 PolarHBondContact O-N 3.05Å; L541-S543 VanDerWaalsContact C-N 3.26Å; L541-S543 PolarHBondContact O-N 3.05Å; L541-Q544 PolarHBondContact O-N 3.09Å; L541-Q544 VanDerWaalsContact O-N 3.11Å; L541-K545 PolarHBondContact O-N 3.29Å
542	C	86.4	Confident	88.3	Confident	48 Å²	48	60 Å²	60	32%	0.324	33%	0.328	S	S	.	.	H	α-helix	trans	-60.8	-33.5	-179.4	-71.9	0	0	0	0	113	P538 E539 K545 Q546	P538-C542 PolarHBondContact O-N 3.28Å; E539-C542 WeakPolarHBondContact O-CB 3.45Å; E539-C542 PolarHBondContact O-N 3.26Å; C542-K545 PolarHBondContact O-N 3.03Å; C542-Q546 WeakPolarHBondContact O-CG 3.2Å; C542-Q546 PolarHBondContact O-N 3.28Å
543	S	83.3	Confident	88.2	Confident	69 Å²	69	60.6 Å²	60.6	48%	0.483	33%	0.333	S	S	.	.	H	α-helix	trans	-67.3	-40.1	174.3	59.5	0	0	0	0	112.4	L541 I547	L541-S543 VanDerWaalsContact C-N 3.26Å; L541-S543 PolarHBondContact O-N 3.05Å; S543-I547 WeakPolarHBondContact O-CG1 3.37Å; S543-I547 PolarHBondContact O-N 2.9Å
544	Q	88.3	Confident	87.8	Confident	31 Å²	31	59.7 Å²	59.7	15%	0.145	33%	0.326	C	S	.	.	H	α-helix	trans	-67.5	-42.9	173.6	-68.5	-168.5	-94.6	0	0	111.1	F505 T509 L511 L541 Q546 I547 V548	F505-Q544 HydrophobicContact CD1-CG 4.48Å; F505-Q544 HydrophobicContact CE1-CB 4.1Å; F505-Q544 HydrophobicContact CE1-CG 3.96Å; F505-Q544 HydrophobicContact CE2-CB 4.24Å; F505-Q544 HydrophobicContact CE2-CG 4.48Å; F505-Q544 HydrophobicContact CZ-CB 3.67Å; F505-Q544 HydrophobicContact CZ-CG 3.97Å; T509-Q544 PolarHBondContact OG1-NE2 3.42Å; L511-Q544 HydrophobicContact CD1-CB 3.85Å; L541-Q544 PolarHBondContact O-N 3.09Å; L541-Q544 VanDerWaalsContact O-N 3.11Å; Q544-Q546 PolarHBondContact O-N 3.4Å; Q544-I547 WeakPolarHBondContact O-CB 3.39Å; Q544-I547 PolarHBondContact O-N 3.28Å; Q544-I547 VanDerWaalsContact O-N 3.09Å; Q544-V548 WeakPolarHBondContact O-CG2 3.46Å; Q544-V548 PolarHBondContact O-N 3.22Å
545	K	91.4	Very high	87.8	Confident	39 Å²	39	58.8 Å²	58.8	17%	0.17	32%	0.318	C	S	.	.	H	α-helix	trans	-54.7	-48.6	174	174	177.3	170.1	-170.7	0	111.7	L513 A534 L537 L541 C542 I547 V548 E549	L513-K545 HydrophobicContact CD2-CG 4.37Å; A534-K545 PolarHBondContact O-NZ 3.04Å; L537-K545 HydrophobicContact CD2-CB 3.67Å; L537-K545 HydrophobicContact CD2-CD 3.69Å; L537-K545 HydrophobicContact CD2-CG 4.25Å; L541-K545 PolarHBondContact O-N 3.29Å; C542-K545 PolarHBondContact O-N 3.03Å; K545-I547 PolarHBondContact O-N 3.02Å; K545-V548 PolarHBondContact O-N 2.96Å; K545-E549 WeakPolarHBondContact CE-OE1 3.43Å; K545-E549 HydrophobicContact CG-CG 4.28Å; K545-E549 IonicContact NZ-OE1 2.69Å; K545-E549 WeakPolarHBondContact O-CG 3.45Å; K545-E549 PolarHBondContact O-N 3.47Å
546	Q	88.7	Confident	87.7	Confident	130 Å²	130	57 Å²	57	61%	0.607	30%	0.297	S	S	*	.	H	α-helix	trans	-58.9	-34	177.2	-74.2	172.3	5.8	0	0	113.1	C542 Q544 L550	C542-Q546 WeakPolarHBondContact O-CG 3.2Å; C542-Q546 PolarHBondContact O-N 3.28Å; Q544-Q546 PolarHBondContact O-N 3.4Å; Q546-L550 WeakPolarHBondContact O-CB 3.34Å; Q546-L550 PolarHBondContact O-N 2.95Å
547	I	89.8	Confident	87.4	Confident	31 Å²	31	61 Å²	61	16%	0.159	30%	0.304	C	S	.	.	H	α-helix	trans	-69.1	-41.3	174.7	-68.6	164.5	0	0	0	111	Y490 F505 S543 Q544 K545 L550 M551	Y490-I547 HydrophobicContact CD1-CD1 3.73Å; Y490-I547 HydrophobicContact CD1-CG1 4.26Å; Y490-I547 HydrophobicContact CD1-CG2 4.42Å; Y490-I547 HydrophobicContact CD2-CG2 4.12Å; Y490-I547 HydrophobicContact CE1-CD1 3.93Å; Y490-I547 HydrophobicContact CE1-CG1 4.25Å; Y490-I547 HydrophobicContact CG-CD1 4.33Å; Y490-I547 HydrophobicContact CG-CG2 3.94Å; F505-I547 HydrophobicContact CE1-CB 4.16Å; F505-I547 HydrophobicContact CE1-CD1 4.11Å; F505-I547 HydrophobicContact CE1-CG2 3.88Å; F505-I547 HydrophobicContact CZ-CB 4.4Å; F505-I547 HydrophobicContact CZ-CG2 4.27Å; S543-I547 WeakPolarHBondContact O-CG1 3.37Å; S543-I547 PolarHBondContact O-N 2.9Å; Q544-I547 WeakPolarHBondContact O-CB 3.39Å; Q544-I547 PolarHBondContact O-N 3.28Å; Q544-I547 VanDerWaalsContact O-N 3.09Å; K545-I547 PolarHBondContact O-N 3.02Å; I547-L550 PolarHBondContact O-N 3.48Å; I547-M551 HydrophobicContact CG2-CE 3.78Å; I547-M551 WeakPolarHBondContact O-CG 3.44Å; I547-M551 PolarHBondContact O-N 3.45Å
548	V	92	Very high	87	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-65.9	-42.2	174.9	-171.8	0	0	0	0	111.1	I501 V503 F505 L511 L513 Q544 K545 L550 M551 A552	I501-V548 HydrophobicContact CG2-CG1 4.01Å; V503-V548 HydrophobicContact CB-CG2 3.93Å; V503-V548 HydrophobicContact CG2-CB 4.19Å; V503-V548 HydrophobicContact CG2-CG1 4.11Å; V503-V548 HydrophobicContact CG2-CG2 3.71Å; F505-V548 HydrophobicContact CE2-CG2 4.26Å; F505-V548 HydrophobicContact CZ-CG2 4.05Å; L511-V548 HydrophobicContact CB-CG2 4.11Å; L511-V548 HydrophobicContact CD2-CB 4.23Å; L511-V548 HydrophobicContact CD2-CG2 3.63Å; L511-V548 HydrophobicContact CG-CG2 4.46Å; L513-V548 HydrophobicContact CD1-CB 4.18Å; L513-V548 HydrophobicContact CD1-CG1 3.8Å; L513-V548 HydrophobicContact CG-CB 4.27Å; L513-V548 HydrophobicContact CG-CG1 3.74Å; Q544-V548 WeakPolarHBondContact O-CG2 3.46Å; Q544-V548 PolarHBondContact O-N 3.22Å; K545-V548 PolarHBondContact O-N 2.96Å; V548-L550 VanDerWaalsContact C-N 3.34Å; V548-L550 PolarHBondContact O-N 2.75Å; V548-M551 PolarHBondContact O-N 3.14Å; V548-A552 VanDerWaalsContact O-CB 3.23Å; V548-A552 WeakPolarHBondContact O-CB 3.34Å; V548-A552 PolarHBondContact O-N 3.48Å
549	E	90.9	Very high	86.8	Confident	57 Å²	57	65 Å²	65	27%	0.266	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-38.5	175.2	-69.6	174.2	147.9	0	0	112.3	L513 K545 A552 N553	L513-E549 HydrophobicContact CD1-CG 3.72Å; K545-E549 WeakPolarHBondContact CE-OE1 3.43Å; K545-E549 HydrophobicContact CG-CG 4.28Å; K545-E549 IonicContact NZ-OE1 2.69Å; K545-E549 WeakPolarHBondContact O-CG 3.45Å; K545-E549 PolarHBondContact O-N 3.47Å; E549-A552 PolarHBondContact O-N 3.11Å; E549-N553 WeakPolarHBondContact O-CB 3.44Å; E549-N553 PolarHBondContact O-N 3.09Å; E549-N553 PolarHBondContact O-ND2 3.5Å
550	L	87.8	Confident	86.7	Confident	104 Å²	104	63.6 Å²	63.6	55%	0.545	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-46	174.3	179	64.5	0	0	0	112	Q546 I547 V548 Y554	Q546-L550 WeakPolarHBondContact O-CB 3.34Å; Q546-L550 PolarHBondContact O-N 2.95Å; I547-L550 PolarHBondContact O-N 3.48Å; V548-L550 VanDerWaalsContact C-N 3.34Å; V548-L550 PolarHBondContact O-N 2.75Å; L550-Y554 WeakPolarHBondContact O-CB 3.18Å; L550-Y554 PolarHBondContact O-N 3.27Å; L550-Y554 VanDerWaalsContact O-N 3.14Å
551	M	90.3	Very high	86.2	Confident	2 Å²	2	63 Å²	63	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-67.1	-38.3	176.8	-67.4	-166.4	-163	0	0	111.8	V484 Y486 Y490 V503 I547 V548 Y554 M555	V484-M551 HydrophobicContact CG2-CB 3.98Å; V484-M551 HydrophobicContact CG2-CG 4Å; V484-M551 HydrophobicContact CG2-SD 3.78Å; Y486-M551 HydrophobicContact CD2-CE 3.89Å; Y486-M551 HydrophobicContact CD2-CG 4.09Å; Y486-M551 HydrophobicContact CD2-SD 3.99Å; Y486-M551 HydrophobicContact CE2-CG 4.39Å; Y486-M551 HydrophobicContact CG-CE 4.09Å; Y490-M551 HydrophobicContact CD2-CE 4.05Å; Y490-M551 HydrophobicContact CG-CE 4.36Å; V503-M551 HydrophobicContact CG1-CE 4.31Å; V503-M551 HydrophobicContact CG1-SD 4.34Å; V503-M551 HydrophobicContact CG2-CE 4.45Å; V503-M551 HydrophobicContact CG2-SD 3.62Å; I547-M551 HydrophobicContact CG2-CE 3.78Å; I547-M551 WeakPolarHBondContact O-CG 3.44Å; I547-M551 PolarHBondContact O-N 3.45Å; V548-M551 PolarHBondContact O-N 3.14Å; M551-Y554 PolarHBondContact O-N 3.41Å; M551-M555 HydrophobicContact CB-CE 4.44Å; M551-M555 WeakPolarHBondContact O-CG 3.3Å; M551-M555 PolarHBondContact O-N 2.85Å
552	A	89.3	Confident	85.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58	-58.3	175.7	0	0	0	0	0	111.7	I501 V548 E549 Y554 M555 E556	I501-A552 HydrophobicContact CB-CB 4.42Å; I501-A552 HydrophobicContact CD1-CB 3.37Å; I501-A552 HydrophobicContact CG1-CB 4.43Å; I501-A552 HydrophobicContact CG2-CB 3.97Å; V548-A552 VanDerWaalsContact O-CB 3.23Å; V548-A552 WeakPolarHBondContact O-CB 3.34Å; V548-A552 PolarHBondContact O-N 3.48Å; E549-A552 PolarHBondContact O-N 3.11Å; A552-Y554 PolarHBondContact O-N 3.39Å; A552-M555 PolarHBondContact O-N 2.74Å; A552-M555 VanDerWaalsContact O-N 3.09Å; A552-E556 WeakPolarHBondContact O-CG 3.42Å; A552-E556 PolarHBondContact O-N 2.95Å
553	N	87.4	Confident	84.6	Confident	58 Å²	58	61 Å²	61	31%	0.31	31%	0.306	S	S	.	.	H	α-helix	trans	-58.5	-37	180	-64.9	-20.5	0	0	0	111.3	R517 E549 Q557	R517-N553 PolarHBondContact NH1-OD1 2.93Å; R517-N553 PolarHBondContact NH2-OD1 2.8Å; R517-N553 VanDerWaalsContact NH2-OD1 3.16Å; E549-N553 WeakPolarHBondContact O-CB 3.44Å; E549-N553 PolarHBondContact O-N 3.09Å; E549-N553 PolarHBondContact O-ND2 3.5Å; N553-Q557 VanDerWaalsContact O-CB 3.29Å; N553-Q557 WeakPolarHBondContact O-CB 3.47Å; N553-Q557 WeakPolarHBondContact O-CG 3.47Å; N553-Q557 PolarHBondContact O-N 3.23Å
554	Y	83.4	Confident	84.1	Confident	90 Å²	90	61.1 Å²	61.1	35%	0.353	30%	0.301	S	S	.	.	H	α-helix	trans	-64.6	-48.9	174.5	-178	-86.9	0	0	0	112.4	V484 L550 M551 A552 E556 Q557 N558 L559	V484-Y554 HydrophobicContact CG1-CD1 3.62Å; V484-Y554 HydrophobicContact CG1-CE1 3.78Å; L550-Y554 WeakPolarHBondContact O-CB 3.18Å; L550-Y554 PolarHBondContact O-N 3.27Å; L550-Y554 VanDerWaalsContact O-N 3.14Å; M551-Y554 PolarHBondContact O-N 3.41Å; A552-Y554 PolarHBondContact O-N 3.39Å; Y554-E556 VanDerWaalsContact C-N 3.32Å; Y554-E556 PolarHBondContact O-N 3.32Å; Y554-Q557 PolarHBondContact O-N 3.23Å; Y554-N558 HydrophobicContact CD1-CB 4.46Å; Y554-N558 HydrophobicContact CD2-CB 4.4Å; Y554-N558 WeakPolarHBondContact CD2-ND2 3.44Å; Y554-N558 HydrophobicContact CE1-CB 4.15Å; Y554-N558 HydrophobicContact CE2-CB 4.08Å; Y554-N558 VanDerWaalsContact O-CB 3.3Å; Y554-N558 WeakPolarHBondContact O-CB 3.29Å; Y554-N558 PolarHBondContact O-N 3.28Å; Y554-N558 PolarHBondContact O-ND2 3.07Å; Y554-L559 HydrophobicContact CE1-CG 4.44Å
555	M	88.8	Confident	83.1	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.8	-34	-179.6	-72.2	-170.8	-70.8	0	0	112.6	K482 V484 Q495 I501 M551 A552 L559	K482-M555 HydrophobicContact CB-CB 4.38Å; K482-M555 HydrophobicContact CB-SD 4.3Å; K482-M555 HydrophobicContact CD-CB 4.45Å; K482-M555 VanDerWaalsContact CD-O 3.22Å; K482-M555 WeakPolarHBondContact CD-O 3.42Å; K482-M555 PolarHBondContact NZ-O 2.86Å; V484-M555 HydrophobicContact CG1-CG 3.76Å; V484-M555 HydrophobicContact CG1-SD 4.38Å; V484-M555 HydrophobicContact CG2-CE 4.46Å; V484-M555 HydrophobicContact CG2-CG 4.17Å; V484-M555 HydrophobicContact CG2-SD 4.02Å; Q495-M555 HydrophobicContact CB-CE 4.15Å; Q495-M555 HydrophobicContact CB-SD 4.2Å; I501-M555 HydrophobicContact CG2-CE 3.62Å; M551-M555 HydrophobicContact CB-CE 4.44Å; M551-M555 WeakPolarHBondContact O-CG 3.3Å; M551-M555 PolarHBondContact O-N 2.85Å; A552-M555 PolarHBondContact O-N 2.74Å; A552-M555 VanDerWaalsContact O-N 3.09Å; M555-L559 HydrophobicContact CB-CD1 4.39Å; M555-L559 HydrophobicContact CG-CD1 3.98Å; M555-L559 WeakPolarHBondContact O-CB 3.26Å; M555-L559 PolarHBondContact O-N 2.87Å
556	E	85.8	Confident	81.6	Confident	79 Å²	79	66.9 Å²	66.9	37%	0.369	33%	0.33	S	S	.	.	H	α-helix	trans	-69.3	-47.7	174.7	-72.4	163.8	-174.3	0	0	112	R517 A552 Y554	R517-E556 IonicContact CZ-OE1 3.92Å; R517-E556 IonicContact CZ-OE2 3.8Å; R517-E556 IonicContact NH2-OE1 2.71Å; R517-E556 PolarHBondContact NH2-OE1 2.66Å; R517-E556 IonicContact NH2-OE2 2.83Å; R517-E556 PolarHBondContact NH2-OE2 3.07Å; A552-E556 WeakPolarHBondContact O-CG 3.42Å; A552-E556 PolarHBondContact O-N 2.95Å; Y554-E556 VanDerWaalsContact C-N 3.32Å; Y554-E556 PolarHBondContact O-N 3.32Å
557	Q	84.1	Confident	80.2	Confident	151 Å²	151	62.5 Å²	62.5	71%	0.706	31%	0.314	S	S	*	.	H	α-helix	trans	-80.5	-29.9	-173	-67	169.3	8.5	0	0	114.3	N553 Y554	N553-Q557 VanDerWaalsContact O-CB 3.29Å; N553-Q557 WeakPolarHBondContact O-CB 3.47Å; N553-Q557 WeakPolarHBondContact O-CG 3.47Å; N553-Q557 PolarHBondContact O-N 3.23Å; Y554-Q557 PolarHBondContact O-N 3.23Å
558	N	79.7	Confident	78.7	Confident	93 Å²	93	68 Å²	68	50%	0.497	34%	0.339	S	S	.	.	H	α-helix	trans	-115.1	-15.7	-167.1	-58.8	-96.2	0	0	0	114.2	Y554	Y554-N558 HydrophobicContact CD1-CB 4.46Å; Y554-N558 HydrophobicContact CD2-CB 4.4Å; Y554-N558 WeakPolarHBondContact CD2-ND2 3.44Å; Y554-N558 HydrophobicContact CE1-CB 4.15Å; Y554-N558 HydrophobicContact CE2-CB 4.08Å; Y554-N558 VanDerWaalsContact O-CB 3.3Å; Y554-N558 WeakPolarHBondContact O-CB 3.29Å; Y554-N558 PolarHBondContact O-N 3.28Å; Y554-N558 PolarHBondContact O-ND2 3.07Å
559	L	82.8	Confident	76.7	Confident	57 Å²	57	77.5 Å²	77.5	30%	0.298	38%	0.383	S	S	.	.			trans	-118.5	132.5	-175.4	-56.9	-178.1	0	0	0	111.4	K482 W483 V484 Y554 M555	K482-L559 HydrophobicContact CB-CB 4.48Å; K482-L559 HydrophobicContact CB-CD1 4.26Å; K482-L559 HydrophobicContact CD-CB 3.89Å; K482-L559 WeakPolarHBondContact CD-O 3.21Å; K482-L559 WeakPolarHBondContact CE-O 3.47Å; K482-L559 PolarHBondContact NZ-O 2.92Å; W483-L559 WeakPolarHBondContact O-CD1 3.42Å; V484-L559 HydrophobicContact CG1-CD1 4.16Å; Y554-L559 HydrophobicContact CE1-CG 4.44Å; M555-L559 HydrophobicContact CB-CD1 4.39Å; M555-L559 HydrophobicContact CG-CD1 3.98Å; M555-L559 WeakPolarHBondContact O-CB 3.26Å; M555-L559 PolarHBondContact O-N 2.87Å
560	M	78.7	Confident	74.9	Confident	139 Å²	139	79.6 Å²	79.6	69%	0.685	39%	0.393	S	S	*	.			trans	-71	161	170.3	-63.2	175	-86	0	0	111.4	R626	M560-R626 VanDerWaalsContact CB-NH1 3.31Å; M560-R626 PolarHBondContact SD-NH2 3.36Å
561	E	75.1	Confident	73	Confident	129 Å²	129	79.2 Å²	79.2	60%	0.603	40%	0.396	S	S	*	.			trans	-70.1	147	172.9	-65.3	-178.7	162	0	0	112.6	R626	E561-R626 PolarHBondContact O-NH1 3.42Å
562	G	67.2	Low	71.1	Confident	7 Å²	7	86 Å²	86	7%	0.072	44%	0.441	C	S	.	.			trans	-84.1	-12.9	-167	0	0	0	0	0	116.3	T481 K607	T481-G562 PolarHBondContact O-N 2.85Å; G562-K607 WeakPolarHBondContact O-CE 3.3Å
563	G	72.7	Confident	69.6	Low	15 Å²	15	89.9 Å²	89.9	16%	0.155	47%	0.468	C	S	.	.			trans	174.2	161.4	-168	0	0	0	0	0	111.9	R626	G563-R626 WeakPolarHBondContact CA-O 3.44Å
564	D	71.5	Confident	68.4	Low	71 Å²	71	93.6 Å²	93.6	38%	0.38	48%	0.484	S	S	.	.			trans	-87.6	8.9	-176.5	68.4	-5.9	0	0	0	115.3	H566 R626 V627 S628	D564-H566 PolarHBondContact O-N 2.94Å; D564-H566 PolarHBondContact O-ND1 2.98Å; D564-R626 PolarHBondContact N-O 3.32Å; D564-R626 VanDerWaalsContact N-O 3.14Å; D564-V627 WeakPolarHBondContact OD2-CA 3.27Å; D564-S628 WeakPolarHBondContact OD1-CB 3.44Å; D564-S628 PolarHBondContact OD1-N 3.18Å; D564-S628 PolarHBondContact OD1-OG 2.94Å
565	V	67.9	Low	67.8	Low	25 Å²	25	89.9 Å²	89.9	15%	0.152	47%	0.47	C	S	.	.			trans	-63.7	98.4	-179.8	-176.7	0	0	0	0	110.4	W479 C567 T620 I622 S628	W479-V565 HydrophobicContact CZ2-CB 3.89Å; W479-V565 HydrophobicContact CZ2-CG2 4.02Å; V565-C567 PolarHBondContact O-N 2.76Å; V565-T620 HydrophobicContact CG2-CG2 4.37Å; V565-I622 HydrophobicContact CG2-CD1 4.24Å; V565-S628 WeakPolarHBondContact CG2-OG 3.4Å
566	H	60.7	Low	67.5	Low	167 Å²	167	90.1 Å²	90.1	77%	0.773	47%	0.472	S	S	*	.			trans	-69.7	129.4	175.6	-74.5	55.5	0	0	0	110.6	D564	D564-H566 PolarHBondContact O-N 2.94Å; D564-H566 PolarHBondContact O-ND1 2.98Å
567	C	59.2	Low	67.4	Low	38 Å²	38	86.9 Å²	86.9	26%	0.257	46%	0.457	S	S	.	.			trans	-91.8	105.7	171.7	-171.4	0	0	0	0	109	S476 V565	S476-C567 PolarHBondContact OG-SG 3.34Å; S476-C567 VanDerWaalsContact OG-SG 3.33Å; V565-C567 PolarHBondContact O-N 2.76Å
568	E	56.8	Low	67.7	Low	146 Å²	146	79.7 Å²	79.7	68%	0.682	42%	0.424	S	S	*	.			trans	-63.7	148.2	162.1	-69.1	-177.6	160.3	0	0	109.5	S476 Q570	S476-E568 PolarHBondContact OG-N 3.16Å; S476-E568 PolarHBondContact OG-O 2.83Å; E568-Q570 PolarHBondContact O-N 2.88Å
569	E	50.9	Low	67.9	Low	200 Å²	200	75.9 Å²	75.9	94%	0.935	40%	0.403	S	S	*	.			trans	-62.5	97.2	-175.6	-66.9	-172.9	157.6	0	0	111.7
570	Q	52.6	Low	68.1	Low	100 Å²	100	73.4 Å²	73.4	47%	0.467	39%	0.39	S	S	.	.			trans	-70.9	141	167.4	-71.7	-92.6	-1.5	0	0	109.2	S476 E568	S476-Q570 PolarHBondContact O-NE2 2.92Å; E568-Q570 PolarHBondContact O-N 2.88Å
571	P	49.2	Very low	68.7	Low	96 Å²	96	67 Å²	67	62%	0.623	36%	0.358	S	S	*	.			trans	-60.4	157.6	170.9	27.8	-35	0	0	0	110.8	S573	P571-S573 VanDerWaalsContact C-N 3.3Å; P571-S573 PolarHBondContact O-N 2.92Å
572	P	49.6	Very low	69.3	Low	144 Å²	144	61.6 Å²	61.6	94%	0.935	33%	0.334	S	S	*	.	S	Bend	trans	-67.3	82.8	-172	27.5	-36.1	0	0	0	112.9
573	S	57.1	Low	70.1	Confident	82 Å²	82	64.4 Å²	64.4	57%	0.573	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-84.9	159.8	159.8	53.2	0	0	0	0	109.5	P571	P571-S573 VanDerWaalsContact C-N 3.3Å; P571-S573 PolarHBondContact O-N 2.92Å
574	Q	63.5	Low	70.8	Confident	137 Å²	137	64.1 Å²	64.1	64%	0.64	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-62.4	135.4	-178.9	-67.9	178.6	-11.5	0	0	110.7
575	P	70.4	Confident	71.3	Confident	11 Å²	11	66.5 Å²	66.5	7%	0.071	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-62.4	142	-179.1	27.3	-36.2	0	0	0	110.5	L577	P575-L577 PolarHBondContact O-N 2.87Å
576	P	81.8	Confident	72.1	Confident	6 Å²	6	70 Å²	70	4%	0.039	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-65	124.5	-178.7	28	-35.9	0	0	0	110.8	I478 Y494 L496 F592 N593	I478-P576 HydrophobicContact CB-CG 3.99Å; I478-P576 HydrophobicContact CG2-CG 3.66Å; Y494-P576 PolarHBondContact OH-O 2.99Å; L496-P576 HydrophobicContact CD1-CG 3.89Å; L496-P576 HydrophobicContact CD2-CG 4.34Å; P576-F592 HydrophobicContact CB-CB 4.37Å; P576-F592 HydrophobicContact CB-CD1 3.75Å; P576-F592 HydrophobicContact CB-CE1 4.47Å; P576-F592 HydrophobicContact CB-CG 4.32Å; P576-F592 HydrophobicContact CG-CD1 4.45Å; P576-N593 WeakPolarHBondContact CA-OD1 2.91Å
577	L	84.5	Confident	73.6	Confident	11 Å²	11	62 Å²	62	6%	0.058	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-91.9	124.9	-179.2	-62.8	-176.4	0	0	0	110.7	H510 C523 H529 P575 L579 F592 N593	H510-L577 HydrophobicContact CB-CD2 4.42Å; C523-L577 HydrophobicContact CB-CD1 3.98Å; H529-L577 WeakPolarHBondContact NE2-CD1 3.4Å; P575-L577 PolarHBondContact O-N 2.87Å; L577-L579 PolarHBondContact O-N 2.96Å; L577-F592 VanDerWaalsContact C-CD1 3.44Å; L577-F592 VanDerWaalsContact O-CA 3.31Å; L577-F592 WeakPolarHBondContact O-CA 3.47Å; L577-F592 WeakPolarHBondContact O-CD1 3.36Å; L577-N593 HydrophobicContact CB-CB 4.49Å; L577-N593 PolarHBondContact N-OD1 2.8Å; L577-N593 PolarHBondContact O-N 3.48Å
578	L	89.3	Confident	75.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	92	175.6	178.9	68.6	0	0	0	109.5	F492 Y494 H510 Q580 W581 M590 L591 F592	F492-L578 HydrophobicContact CD1-CD2 3.49Å; F492-L578 VanDerWaalsContact CD1-CD2 3.49Å; F492-L578 HydrophobicContact CE1-CD2 4.02Å; F492-L578 HydrophobicContact CG-CD2 4.38Å; Y494-L578 HydrophobicContact CD1-CB 4.05Å; Y494-L578 HydrophobicContact CD1-CD2 3.7Å; Y494-L578 HydrophobicContact CE1-CB 3.44Å; Y494-L578 VanDerWaalsContact CE1-CB 3.44Å; Y494-L578 HydrophobicContact CE1-CD2 3.9Å; Y494-L578 HydrophobicContact CE1-CG 4.33Å; Y494-L578 PolarHBondContact OH-N 2.92Å; H510-L578 CovalentContact NE2-O 1.78Å; H510-L578 PolarHBondContact NE2-O 3.19Å; L578-Q580 VanDerWaalsContact C-N 3.26Å; L578-Q580 VanDerWaalsContact CD1-O 3.32Å; L578-Q580 WeakPolarHBondContact CD1-O 3.32Å; L578-Q580 PolarHBondContact O-N 2.93Å; L578-W581 HydrophobicContact CD1-CB 4.49Å; L578-W581 HydrophobicContact CD2-CB 4.42Å; L578-M590 HydrophobicContact CD1-CB 3.58Å; L578-M590 HydrophobicContact CD1-CG 3.85Å; L578-L591 CarbonylContact C-O 3.33Å; L578-F592 HydrophobicContact CB-CD1 4.27Å; L578-F592 HydrophobicContact CB-CE1 3.68Å; L578-F592 HydrophobicContact CB-CZ 4.01Å; L578-F592 HydrophobicContact CD1-CE1 4.18Å; L578-F592 HydrophobicContact CD1-CE2 3.91Å; L578-F592 HydrophobicContact CD1-CZ 3.7Å; L578-F592 HydrophobicContact CG-CZ 4.43Å
579	L	85.8	Confident	77	Confident	12 Å²	12	53.4 Å²	53.4	6%	0.063	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	-32.5	179.1	-61.5	-179.4	0	0	0	112	P443 I446 L577 L591 N593	P443-L579 HydrophobicContact CG-CB 3.88Å; P443-L579 HydrophobicContact CG-CD1 4.28Å; I446-L579 HydrophobicContact CD1-CD1 3.94Å; L577-L579 PolarHBondContact O-N 2.96Å; L579-L591 PolarHBondContact N-O 2.94Å; L579-N593 HydrophobicContact CD1-CB 4.12Å; L579-N593 HydrophobicContact CD2-CB 4.1Å; L579-N593 HydrophobicContact CG-CB 4.04Å
580	Q	86.5	Confident	79.1	Confident	5 Å²	5	43.9 Å²	43.9	2%	0.023	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	146.2	-175.7	172.6	153.9	42.9	0	0	112.3	V430 A431 P443 L578 V582 L591 R659	V430-Q580 VanDerWaalsContact CG1-NE2 3.26Å; A431-Q580 VanDerWaalsContact O-CG 3.23Å; A431-Q580 WeakPolarHBondContact O-CG 3.46Å; A431-Q580 PolarHBondContact O-NE2 3.46Å; P443-Q580 HydrophobicContact CB-CB 4.06Å; P443-Q580 HydrophobicContact CG-CB 4.27Å; L578-Q580 VanDerWaalsContact C-N 3.26Å; L578-Q580 VanDerWaalsContact CD1-O 3.32Å; L578-Q580 WeakPolarHBondContact CD1-O 3.32Å; L578-Q580 PolarHBondContact O-N 2.93Å; Q580-V582 HydrophobicContact CG-CG2 4.38Å; Q580-L591 HydrophobicContact CB-CB 4.48Å; Q580-L591 PolarHBondContact N-O 2.84Å; Q580-L591 PolarHBondContact O-N 3.44Å; Q580-R659 VanDerWaalsContact OE1-NH1 3.09Å
581	W	91.1	Very high	81	Confident	5 Å²	5	39.2 Å²	39.2	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154.9	164.8	62.3	-77.8	0	0	0	110.4	T429 S487 F492 L578 K583 L588 V589 M590	T429-W581 HydrophobicContact CG2-CH2 3.67Å; T429-W581 HydrophobicContact CG2-CZ2 4.36Å; T429-W581 HydrophobicContact CG2-CZ3 4.31Å; S487-W581 VanDerWaalsContact CB-CZ2 3.45Å; S487-W581 WeakPolarHBondContact OG-CH2 3.49Å; F492-W581 HydrophobicContact CB-CD2 4.26Å; F492-W581 HydrophobicContact CB-CG 4.28Å; F492-W581 HydrophobicContact CB-CZ2 4.27Å; F492-W581 VanDerWaalsContact CB-NE1 3.35Å; F492-W581 HydrophobicContact CD1-CG 4.37Å; F492-W581 AromaticContact CD2-CD2 3.55Å; F492-W581 HydrophobicContact CD2-CD2 3.55Å; F492-W581 AromaticContact CD2-CE2 3.69Å; F492-W581 AromaticContact CD2-CE3 3.79Å; F492-W581 HydrophobicContact CD2-CE3 3.79Å; F492-W581 AromaticContact CD2-CG 3.98Å; F492-W581 HydrophobicContact CD2-CG 3.98Å; F492-W581 HydrophobicContact CD2-CH2 4.28Å; F492-W581 HydrophobicContact CD2-CZ2 4.09Å; F492-W581 HydrophobicContact CD2-CZ3 4.13Å; F492-W581 HydrophobicContact CE2-CD2 4.1Å; F492-W581 AromaticContact CE2-CE3 4Å; F492-W581 HydrophobicContact CE2-CE3 4Å; F492-W581 HydrophobicContact CE2-CG 4.46Å; F492-W581 HydrophobicContact CE2-CZ3 4.44Å; F492-W581 AromaticContact CG-CD1 3.83Å; F492-W581 AromaticContact CG-CD2 3.94Å; F492-W581 HydrophobicContact CG-CD2 3.94Å; F492-W581 AromaticContact CG-CE2 3.91Å; F492-W581 AromaticContact CG-CG 3.94Å; F492-W581 HydrophobicContact CG-CG 3.94Å; F492-W581 AromaticContact CG-NE1 3.82Å; L578-W581 HydrophobicContact CD1-CB 4.49Å; L578-W581 HydrophobicContact CD2-CB 4.42Å; W581-K583 HydrophobicContact CE3-CB 4.26Å; W581-K583 HydrophobicContact CZ3-CB 3.84Å; W581-K583 HydrophobicContact CZ3-CD 4.45Å; W581-L588 HydrophobicContact CB-CD1 4.39Å; W581-L588 HydrophobicContact CE3-CD1 3.86Å; W581-V589 CarbonylContact C-O 3.59Å; W581-V589 WeakPolarHBondContact CA-O 3.41Å; W581-V589 WeakPolarHBondContact CB-O 3.5Å; W581-M590 HydrophobicContact CB-CG 4.1Å
582	V	86.9	Confident	82.9	Confident	15 Å²	15	34.9 Å²	34.9	9%	0.091	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130	177.5	178	0	0	0	0	108.7	V430 Q580 T584 V589	V430-V582 HydrophobicContact CG1-CG2 4.24Å; V430-V582 HydrophobicContact CG2-CG1 4.16Å; V430-V582 HydrophobicContact CG2-CG2 4.2Å; Q580-V582 HydrophobicContact CG-CG2 4.38Å; V582-T584 HydrophobicContact CG1-CG2 4.4Å; V582-V589 HydrophobicContact CB-CB 4.42Å; V582-V589 PolarHBondContact N-O 2.83Å; V582-V589 PolarHBondContact O-N 2.86Å
583	K	85.4	Confident	84.6	Confident	67 Å²	67	30.4 Å²	30.4	29%	0.291	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.1	178	179.1	162.3	-176.6	171	0	110.8	G428 T429 D485 W581 Y602	G428-K583 WeakPolarHBondContact CA-O 3.43Å; T429-K583 PolarHBondContact N-O 2.9Å; T429-K583 PolarHBondContact O-N 3.27Å; T429-K583 VanDerWaalsContact O-N 3.09Å; D485-K583 WeakPolarHBondContact OD2-CD 3.4Å; D485-K583 IonicContact OD2-NZ 2.69Å; D485-K583 PolarHBondContact OD2-NZ 2.79Å; W581-K583 HydrophobicContact CE3-CB 4.26Å; W581-K583 HydrophobicContact CZ3-CB 3.84Å; W581-K583 HydrophobicContact CZ3-CD 4.45Å; K583-Y602 HydrophobicContact CG-CE2 4.46Å; K583-Y602 WeakPolarHBondContact CG-OH 3.18Å
584	T	86.4	Confident	86	Confident	9 Å²	9	30.6 Å²	30.6	6%	0.055	15%	0.154	C	C	.	.			trans	-109.2	172.3	176.3	76	0	0	0	0	110.9	F426 V582 H586 A587 Y602 Y651 L655	F426-T584 HydrophobicContact CD1-CG2 4.2Å; F426-T584 VanDerWaalsContact CE1-CB 3.4Å; F426-T584 HydrophobicContact CE1-CG2 3.94Å; F426-T584 HydrophobicContact CZ-CG2 4.23Å; V582-T584 HydrophobicContact CG1-CG2 4.4Å; T584-H586 PolarHBondContact O-N 3.47Å; T584-H586 VanDerWaalsContact O-N 3.16Å; T584-H586 PolarHBondContact OG1-N 2.92Å; T584-A587 PolarHBondContact N-O 3.42Å; T584-A587 PolarHBondContact OG1-N 3.25Å; T584-A587 PolarHBondContact OG1-O 3.3Å; T584-Y602 WeakPolarHBondContact O-CE2 3.45Å; T584-Y651 PolarHBondContact OG1-OH 3.48Å; T584-Y651 VanDerWaalsContact OG1-OH 3.1Å; T584-L655 HydrophobicContact CG2-CD1 3.68Å; T584-L655 HydrophobicContact CG2-CG 4.22Å
585	D	81.9	Confident	87.1	Confident	120 Å²	120	25.2 Å²	25.2	64%	0.642	14%	0.135	S	C	*	.	S	Bend	trans	-66.6	-9.7	175.6	-68.8	-38.4	0	0	0	113.4	F426	F426-D585 HydrophobicContact CZ-CB 4.12Å
586	H	85.7	Confident	88.1	Confident	98 Å²	98	25 Å²	25	45%	0.454	13%	0.134	S	C	.	.	S	Bend	trans	-129.7	-18.4	-174.8	-56	-28.9	0	0	0	114.5	T584 Y602	T584-H586 PolarHBondContact O-N 3.47Å; T584-H586 VanDerWaalsContact O-N 3.16Å; T584-H586 PolarHBondContact OG1-N 2.92Å; H586-Y602 PolarHBondContact O-N 2.83Å
587	A	91.8	Very high	88.7	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	160.6	-177.3	0	0	0	0	0	113.4	T584 V599 N600 F601 Y651	T584-A587 PolarHBondContact N-O 3.42Å; T584-A587 PolarHBondContact OG1-N 3.25Å; T584-A587 PolarHBondContact OG1-O 3.3Å; A587-V599 HydrophobicContact CB-CG1 3.9Å; A587-N600 CarbonylContact C-O 3.57Å; A587-N600 WeakPolarHBondContact CA-O 3.25Å; A587-N600 WeakPolarHBondContact CB-O 3.29Å; A587-F601 HydrophobicContact CB-CD1 4.06Å; A587-F601 HydrophobicContact CB-CE1 4.4Å; A587-Y651 HydrophobicContact CB-CE1 4.1Å
588	L	93.8	Very high	89.2	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.3	160.5	175	72.2	0	0	0	108.9	W483 F492 W581 M590 V599 N600 Y602	W483-L588 HydrophobicContact CD2-CD2 3.53Å; W483-L588 HydrophobicContact CE3-CD2 3.87Å; W483-L588 HydrophobicContact CG-CD2 3.91Å; W483-L588 HydrophobicContact CH2-CD2 4.36Å; W483-L588 HydrophobicContact CZ2-CD2 4.06Å; W483-L588 HydrophobicContact CZ3-CD2 4.27Å; F492-L588 HydrophobicContact CE2-CD1 4.06Å; F492-L588 HydrophobicContact CE2-CD2 4.22Å; F492-L588 HydrophobicContact CZ-CD1 4.15Å; F492-L588 HydrophobicContact CZ-CD2 3.6Å; W581-L588 HydrophobicContact CB-CD1 4.39Å; W581-L588 HydrophobicContact CE3-CD1 3.86Å; L588-M590 HydrophobicContact CD2-CE 3.94Å; L588-M590 HydrophobicContact CD2-CG 4.14Å; L588-M590 HydrophobicContact CD2-SD 3.77Å; L588-M590 HydrophobicContact CG-CG 4.14Å; L588-M590 HydrophobicContact CG-SD 4.41Å; L588-V599 CarbonylContact O-C 3.57Å; L588-V599 VanDerWaalsContact O-CA 3.32Å; L588-V599 WeakPolarHBondContact O-CA 3.47Å; L588-N600 HydrophobicContact CB-CB 4.37Å; L588-N600 PolarHBondContact N-O 2.86Å; L588-N600 PolarHBondContact O-N 2.86Å; L588-Y602 HydrophobicContact CB-CE1 3.98Å
589	V	93.6	Very high	89.6	Confident	4 Å²	4	24.3 Å²	24.3	2%	0.024	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.9	171.7	179.7	0	0	0	0	109.8	W581 V582 L597 Q598 V599 L655	W581-V589 CarbonylContact C-O 3.59Å; W581-V589 WeakPolarHBondContact CA-O 3.41Å; W581-V589 WeakPolarHBondContact CB-O 3.5Å; V582-V589 HydrophobicContact CB-CB 4.42Å; V582-V589 PolarHBondContact N-O 2.83Å; V582-V589 PolarHBondContact O-N 2.86Å; V589-L597 HydrophobicContact CG1-CD1 3.64Å; V589-Q598 CarbonylContact C-O 3.58Å; V589-Q598 WeakPolarHBondContact CA-O 3.41Å; V589-V599 HydrophobicContact CB-CG2 4.49Å; V589-V599 HydrophobicContact CG1-CG2 4.24Å; V589-V599 HydrophobicContact CG2-CB 4.47Å; V589-V599 HydrophobicContact CG2-CG1 4.05Å; V589-V599 HydrophobicContact CG2-CG2 3.9Å; V589-L655 HydrophobicContact CB-CD2 4.4Å; V589-L655 HydrophobicContact CG2-CD1 3.5Å; V589-L655 HydrophobicContact CG2-CD2 3.66Å; V589-L655 HydrophobicContact CG2-CG 4.27Å
590	M	94.4	Very high	90	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.3	-178.3	-69.7	176.7	-66.5	0	0	110	V480 F492 L578 W581 L588 F592 Q598 N600	V480-M590 HydrophobicContact CB-CE 3.83Å; V480-M590 HydrophobicContact CB-SD 4.2Å; V480-M590 HydrophobicContact CG1-CE 4.04Å; V480-M590 HydrophobicContact CG1-SD 4.1Å; V480-M590 HydrophobicContact CG2-CE 4.07Å; V480-M590 HydrophobicContact CG2-SD 3.94Å; F492-M590 HydrophobicContact CE1-SD 4.04Å; F492-M590 HydrophobicContact CZ-SD 4.34Å; L578-M590 HydrophobicContact CD1-CB 3.58Å; L578-M590 HydrophobicContact CD1-CG 3.85Å; W581-M590 HydrophobicContact CB-CG 4.1Å; L588-M590 HydrophobicContact CD2-CE 3.94Å; L588-M590 HydrophobicContact CD2-CG 4.14Å; L588-M590 HydrophobicContact CD2-SD 3.77Å; L588-M590 HydrophobicContact CG-CG 4.14Å; L588-M590 HydrophobicContact CG-SD 4.41Å; M590-F592 HydrophobicContact CB-CE2 3.95Å; M590-Q598 HydrophobicContact CB-CB 4.48Å; M590-Q598 HydrophobicContact CE-CB 4.2Å; M590-Q598 HydrophobicContact CE-CG 3.77Å; M590-Q598 PolarHBondContact N-O 3.39Å; M590-Q598 PolarHBondContact O-N 2.92Å; M590-N600 WeakPolarHBondContact CE-ND2 3.47Å
591	L	91.9	Very high	90.3	Very high	2 Å²	2	24 Å²	24	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.5	-178.5	-62.4	177.8	0	0	0	110.7	P443 I446 A447 L578 L579 Q580 L597	P443-L591 HydrophobicContact CB-CD1 4.17Å; P443-L591 WeakPolarHBondContact O-CD1 3.49Å; I446-L591 HydrophobicContact CB-CD2 4.46Å; I446-L591 HydrophobicContact CG2-CD2 3.88Å; A447-L591 HydrophobicContact CB-CD1 4.39Å; L578-L591 CarbonylContact C-O 3.33Å; L579-L591 PolarHBondContact N-O 2.94Å; Q580-L591 HydrophobicContact CB-CB 4.48Å; Q580-L591 PolarHBondContact N-O 2.84Å; Q580-L591 PolarHBondContact O-N 3.44Å; L591-L597 HydrophobicContact CD2-CB 4.12Å; L591-L597 HydrophobicContact CD2-CD1 3.64Å; L591-L597 HydrophobicContact CD2-CG 4.45Å
592	F	90.3	Very high	90.1	Very high	4 Å²	4	27 Å²	27	2%	0.018	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.9	-174.5	-72.2	-88.3	0	0	0	113.2	I446 V480 Y494 P576 L577 L578 M590 N594 G595 T596	I446-F592 WeakPolarHBondContact CD1-O 3.36Å; V480-F592 HydrophobicContact CG2-CE1 4.46Å; V480-F592 HydrophobicContact CG2-CE2 3.86Å; V480-F592 HydrophobicContact CG2-CZ 3.39Å; Y494-F592 HydrophobicContact CD2-CE1 4.47Å; Y494-F592 AromaticContact CE2-CE1 3.98Å; Y494-F592 HydrophobicContact CE2-CE1 3.98Å; P576-F592 HydrophobicContact CB-CB 4.37Å; P576-F592 HydrophobicContact CB-CD1 3.75Å; P576-F592 HydrophobicContact CB-CE1 4.47Å; P576-F592 HydrophobicContact CB-CG 4.32Å; P576-F592 HydrophobicContact CG-CD1 4.45Å; L577-F592 VanDerWaalsContact C-CD1 3.44Å; L577-F592 VanDerWaalsContact O-CA 3.31Å; L577-F592 WeakPolarHBondContact O-CA 3.47Å; L577-F592 WeakPolarHBondContact O-CD1 3.36Å; L578-F592 HydrophobicContact CB-CD1 4.27Å; L578-F592 HydrophobicContact CB-CE1 3.68Å; L578-F592 HydrophobicContact CB-CZ 4.01Å; L578-F592 HydrophobicContact CD1-CE1 4.18Å; L578-F592 HydrophobicContact CD1-CE2 3.91Å; L578-F592 HydrophobicContact CD1-CZ 3.7Å; L578-F592 HydrophobicContact CG-CZ 4.43Å; M590-F592 HydrophobicContact CB-CE2 3.95Å; F592-N594 WeakPolarHBondContact CB-OD1 3.19Å; F592-N594 PolarHBondContact O-N 2.83Å; F592-N594 VanDerWaalsContact O-N 3.08Å; F592-G595 PolarHBondContact O-N 3.09Å; F592-T596 PolarHBondContact N-O 3.23Å
593	N	85.4	Confident	89.9	Confident	51 Å²	51	31 Å²	31	27%	0.273	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.4	179.8	64.9	-20.9	0	0	0	114.6	P576 L577 L579 G595	P576-N593 WeakPolarHBondContact CA-OD1 2.91Å; L577-N593 HydrophobicContact CB-CB 4.49Å; L577-N593 PolarHBondContact N-OD1 2.8Å; L577-N593 PolarHBondContact O-N 3.48Å; L579-N593 HydrophobicContact CD1-CB 4.12Å; L579-N593 HydrophobicContact CD2-CB 4.1Å; L579-N593 HydrophobicContact CG-CB 4.04Å; N593-G595 PolarHBondContact O-N 2.95Å
594	N	85.3	Confident	90.1	Very high	85 Å²	85	28.8 Å²	28.8	46%	0.455	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	5.8	174.9	72.8	-1.4	0	0	0	114.7	F592 T596	F592-N594 WeakPolarHBondContact CB-OD1 3.19Å; F592-N594 PolarHBondContact O-N 2.83Å; F592-N594 VanDerWaalsContact O-N 3.08Å; N594-T596 PolarHBondContact ND2-OG1 3.4Å; N594-T596 WeakPolarHBondContact OD1-CB 3.39Å; N594-T596 PolarHBondContact OD1-N 2.93Å; N594-T596 PolarHBondContact OD1-OG1 3.44Å
595	G	87	Confident	90	Very high	25 Å²	25	34.7 Å²	34.7	26%	0.258	18%	0.183	S	C	.	.	S	Bend	trans	83.4	9	-177.8	0	0	0	0	0	115.2	F592 N593	F592-G595 PolarHBondContact O-N 3.09Å; N593-G595 PolarHBondContact O-N 2.95Å
596	T	91.5	Very high	90.6	Very high	7 Å²	7	29 Å²	29	4%	0.043	15%	0.152	C	C	.	.			trans	-78.6	131.5	177.2	-56	0	0	0	0	111.1	F592 N594 I609 L610 C611	F592-T596 PolarHBondContact N-O 3.23Å; N594-T596 PolarHBondContact ND2-OG1 3.4Å; N594-T596 WeakPolarHBondContact OD1-CB 3.39Å; N594-T596 PolarHBondContact OD1-N 2.93Å; N594-T596 PolarHBondContact OD1-OG1 3.44Å; T596-I609 HydrophobicContact CG2-CG2 3.78Å; T596-L610 WeakPolarHBondContact CA-O 2.94Å; T596-C611 HydrophobicContact CG2-CB 4.11Å
597	L	94.5	Very high	91	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.1	169.3	161.3	66.3	0	0	0	108.4	A450 L454 V589 L591 V599 I609 L610 V652 L656	A450-L597 HydrophobicContact CB-CB 4.43Å; A450-L597 HydrophobicContact CB-CD2 3.63Å; L454-L597 HydrophobicContact CD1-CD2 4.43Å; V589-L597 HydrophobicContact CG1-CD1 3.64Å; L591-L597 HydrophobicContact CD2-CB 4.12Å; L591-L597 HydrophobicContact CD2-CD1 3.64Å; L591-L597 HydrophobicContact CD2-CG 4.45Å; L597-V599 HydrophobicContact CD1-CG2 3.85Å; L597-V599 HydrophobicContact CG-CG2 4.3Å; L597-I609 CarbonylContact O-C 3.57Å; L597-I609 WeakPolarHBondContact O-CA 3.42Å; L597-L610 HydrophobicContact CB-CB 4.37Å; L597-L610 HydrophobicContact CD2-CD2 4.45Å; L597-L610 PolarHBondContact N-O 2.87Å; L597-L610 PolarHBondContact O-N 3.44Å; L597-V652 HydrophobicContact CD2-CG1 3.85Å; L597-L656 HydrophobicContact CD2-CD1 3.96Å
598	Q	95.6	Very high	91.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.9	170.8	176	171.5	-10.3	0	0	110.8	V480 V589 M590 N600 I609	V480-Q598 PolarHBondContact O-NE2 2.97Å; V589-Q598 CarbonylContact C-O 3.58Å; V589-Q598 WeakPolarHBondContact CA-O 3.41Å; M590-Q598 HydrophobicContact CB-CB 4.48Å; M590-Q598 HydrophobicContact CE-CB 4.2Å; M590-Q598 HydrophobicContact CE-CG 3.77Å; M590-Q598 PolarHBondContact N-O 3.39Å; M590-Q598 PolarHBondContact O-N 2.92Å; Q598-N600 WeakPolarHBondContact CG-OD1 3.43Å; Q598-N600 PolarHBondContact NE2-ND2 3.19Å; Q598-N600 PolarHBondContact NE2-OD1 2.99Å; Q598-I609 HydrophobicContact CB-CG1 4.2Å; Q598-I609 HydrophobicContact CG-CG1 3.8Å
599	V	96.1	Very high	91.2	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.9	177.7	-175.5	0	0	0	0	109.8	A587 L588 V589 L597 F601 K607 I608 V652	A587-V599 HydrophobicContact CB-CG1 3.9Å; L588-V599 CarbonylContact O-C 3.57Å; L588-V599 VanDerWaalsContact O-CA 3.32Å; L588-V599 WeakPolarHBondContact O-CA 3.47Å; V589-V599 HydrophobicContact CB-CG2 4.49Å; V589-V599 HydrophobicContact CG1-CG2 4.24Å; V589-V599 HydrophobicContact CG2-CB 4.47Å; V589-V599 HydrophobicContact CG2-CG1 4.05Å; V589-V599 HydrophobicContact CG2-CG2 3.9Å; L597-V599 HydrophobicContact CD1-CG2 3.85Å; L597-V599 HydrophobicContact CG-CG2 4.3Å; V599-F601 HydrophobicContact CB-CE2 4.48Å; V599-F601 HydrophobicContact CG1-CD2 4.48Å; V599-F601 HydrophobicContact CG1-CE1 4.37Å; V599-F601 HydrophobicContact CG1-CE2 3.93Å; V599-F601 HydrophobicContact CG1-CZ 3.88Å; V599-K607 CarbonylContact O-C 3.53Å; V599-K607 VanDerWaalsContact O-CA 3.25Å; V599-K607 WeakPolarHBondContact O-CA 3.49Å; V599-I608 PolarHBondContact N-O 3.44Å; V599-I608 PolarHBondContact O-N 3.14Å; V599-V652 HydrophobicContact CB-CG2 4.05Å; V599-V652 HydrophobicContact CG1-CG2 4.11Å; V599-V652 HydrophobicContact CG2-CG1 4.07Å; V599-V652 HydrophobicContact CG2-CG2 3.83Å
600	N	94.6	Very high	91.3	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.032	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.8	-179.5	-64.8	-15.4	0	0	0	109.5	W483 A587 L588 M590 Q598 K607	W483-N600 PolarHBondContact NE1-ND2 3.44Å; A587-N600 CarbonylContact C-O 3.57Å; A587-N600 WeakPolarHBondContact CA-O 3.25Å; A587-N600 WeakPolarHBondContact CB-O 3.29Å; L588-N600 HydrophobicContact CB-CB 4.37Å; L588-N600 PolarHBondContact N-O 2.86Å; L588-N600 PolarHBondContact O-N 2.86Å; M590-N600 WeakPolarHBondContact CE-ND2 3.47Å; Q598-N600 WeakPolarHBondContact CG-OD1 3.43Å; Q598-N600 PolarHBondContact NE2-ND2 3.19Å; Q598-N600 PolarHBondContact NE2-OD1 2.99Å; N600-K607 WeakPolarHBondContact OD1-CD 3.43Å
601	F	92.7	Very high	91.1	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	138.6	-178.7	-65.3	-87.8	0	0	0	111.6	A587 V599 H605 T606 I608 R648 Y651 V652	A587-F601 HydrophobicContact CB-CD1 4.06Å; A587-F601 HydrophobicContact CB-CE1 4.4Å; V599-F601 HydrophobicContact CB-CE2 4.48Å; V599-F601 HydrophobicContact CG1-CD2 4.48Å; V599-F601 HydrophobicContact CG1-CE1 4.37Å; V599-F601 HydrophobicContact CG1-CE2 3.93Å; V599-F601 HydrophobicContact CG1-CZ 3.88Å; F601-H605 VanDerWaalsContact O-CA 3.25Å; F601-H605 WeakPolarHBondContact O-CA 3.49Å; F601-H605 PolarHBondContact O-N 3.14Å; F601-T606 WeakPolarHBondContact CD2-O 3.43Å; F601-T606 PolarHBondContact N-O 2.9Å; F601-I608 HydrophobicContact CE2-CG1 4.46Å; F601-R648 HydrophobicContact CE2-CB 4.33Å; F601-R648 VanDerWaalsContact CE2-CD 3.45Å; F601-R648 HydrophobicContact CE2-CG 4.46Å; F601-R648 HydrophobicContact CZ-CB 4.2Å; F601-R648 VanDerWaalsContact CZ-CD 3.48Å; F601-R648 HydrophobicContact CZ-CG 4.47Å; F601-Y651 AromaticContact CE1-CD1 3.45Å; F601-Y651 HydrophobicContact CE1-CD1 3.45Å; F601-Y651 VanDerWaalsContact CE1-CD1 3.45Å; F601-Y651 AromaticContact CE1-CE1 3.88Å; F601-Y651 HydrophobicContact CE1-CE1 3.88Å; F601-Y651 HydrophobicContact CE1-CG 4.13Å; F601-Y651 HydrophobicContact CZ-CD1 4Å; F601-V652 HydrophobicContact CZ-CG2 4.2Å
602	Y	86.9	Confident	90.9	Very high	68 Å²	68	31.5 Å²	31.5	27%	0.267	16%	0.162	S	C	.	.	S	Bend	trans	-86.2	-27.5	-177	-62.1	-29.4	0	0	0	113.6	W483 K583 T584 H586 L588	W483-Y602 AromaticContact CH2-CE1 3.85Å; W483-Y602 HydrophobicContact CH2-CE1 3.85Å; W483-Y602 AromaticContact CZ2-CE1 3.8Å; W483-Y602 HydrophobicContact CZ2-CE1 3.8Å; K583-Y602 HydrophobicContact CG-CE2 4.46Å; K583-Y602 WeakPolarHBondContact CG-OH 3.18Å; T584-Y602 WeakPolarHBondContact O-CE2 3.45Å; H586-Y602 PolarHBondContact O-N 2.83Å; L588-Y602 HydrophobicContact CB-CE1 3.98Å
603	T	84.2	Confident	90.3	Very high	99 Å²	99	32.9 Å²	32.9	61%	0.607	17%	0.172	S	C	*	.	S	Bend	trans	-71.5	-31.6	-172	52.5	0	0	0	0	114.3
604	D	87.8	Confident	89.7	Confident	21 Å²	21	35.2 Å²	35.2	11%	0.112	19%	0.193	C	C	.	.	S	Bend	trans	-146.2	14.8	-173.9	67	-8.9	0	0	0	112.9	T606 R624 R648	D604-T606 VanDerWaalsContact CG-CG2 3.49Å; D604-T606 PolarHBondContact O-N 2.9Å; D604-T606 WeakPolarHBondContact OD1-CB 3.27Å; D604-T606 WeakPolarHBondContact OD1-CG2 3.23Å; D604-T606 PolarHBondContact OD1-N 2.81Å; D604-T606 PolarHBondContact OD1-OG1 3.38Å; D604-T606 WeakPolarHBondContact OD2-CG2 3.47Å; D604-R624 HydrophobicContact CB-CG 4.07Å; D604-R624 IonicContact OD2-CZ 2.9Å; D604-R624 IonicContact OD2-NE 3.76Å; D604-R624 PolarHBondContact OD2-NE 3.16Å; D604-R624 IonicContact OD2-NH2 3.9Å; D604-R624 PolarHBondContact OD2-NH2 2.59Å; D604-R648 IonicContact OD1-CZ 2.63Å; D604-R648 IonicContact OD1-NH2 3.46Å; D604-R648 PolarHBondContact OD1-NH2 2.59Å; D604-R648 IonicContact OD2-CZ 3.48Å; D604-R648 IonicContact OD2-NH2 2.67Å; D604-R648 PolarHBondContact OD2-NH2 2.79Å
605	H	86	Confident	89.3	Confident	132 Å²	132	34 Å²	34	61%	0.611	20%	0.2	S	C	*	.			trans	59.7	3.1	178.9	-54.3	-55	0	0	0	117.2	F601 K607	F601-H605 VanDerWaalsContact O-CA 3.25Å; F601-H605 WeakPolarHBondContact O-CA 3.49Å; F601-H605 PolarHBondContact O-N 3.14Å; H605-K607 PolarHBondContact O-NZ 3.46Å
606	T	92.6	Very high	89.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.208	C	C	.	.			trans	-59.2	158.2	176.4	57.8	0	0	0	0	112.2	F601 D604 Y621 I622 R624 R648	F601-T606 WeakPolarHBondContact CD2-O 3.43Å; F601-T606 PolarHBondContact N-O 2.9Å; D604-T606 VanDerWaalsContact CG-CG2 3.49Å; D604-T606 PolarHBondContact O-N 2.9Å; D604-T606 WeakPolarHBondContact OD1-CB 3.27Å; D604-T606 WeakPolarHBondContact OD1-CG2 3.23Å; D604-T606 PolarHBondContact OD1-N 2.81Å; D604-T606 PolarHBondContact OD1-OG1 3.38Å; D604-T606 WeakPolarHBondContact OD2-CG2 3.47Å; T606-Y621 HydrophobicContact CG2-CE2 4.32Å; T606-Y621 WeakPolarHBondContact CG2-OH 3.42Å; T606-I622 VanDerWaalsContact CA-O 3.29Å; T606-I622 WeakPolarHBondContact CA-O 3.33Å; T606-R624 HydrophobicContact CG2-CG 3.6Å; T606-R648 PolarHBondContact OG1-NE 3.37Å
607	K	94.7	Very high	89.2	Confident	23 Å²	23	37.4 Å²	37.4	10%	0.1	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	146	-180	-38.9	-176.1	-157.2	-47.2	0	111.5	W479 G562 V599 N600 H605 Y621 I622	W479-K607 HydrophobicContact CZ3-CD 4.14Å; G562-K607 WeakPolarHBondContact O-CE 3.3Å; V599-K607 CarbonylContact O-C 3.53Å; V599-K607 VanDerWaalsContact O-CA 3.25Å; V599-K607 WeakPolarHBondContact O-CA 3.49Å; N600-K607 WeakPolarHBondContact OD1-CD 3.43Å; H605-K607 PolarHBondContact O-NZ 3.46Å; K607-Y621 WeakPolarHBondContact O-CA 3.31Å; K607-Y621 VanDerWaalsContact O-CD2 3.32Å; K607-Y621 WeakPolarHBondContact O-CD2 3.47Å; K607-I622 HydrophobicContact CB-CB 4.07Å; K607-I622 HydrophobicContact CB-CD1 4.36Å; K607-I622 HydrophobicContact CD-CD1 4.06Å; K607-I622 HydrophobicContact CG-CB 4.2Å; K607-I622 PolarHBondContact N-O 3.01Å; K607-I622 PolarHBondContact O-N 3.3Å
608	I	95.6	Very high	89.2	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.8	162.2	-73.9	-178.7	0	0	0	107.8	V599 F601 L619 T620 Y621 L645 R648 M649 V652	V599-I608 PolarHBondContact N-O 3.44Å; V599-I608 PolarHBondContact O-N 3.14Å; F601-I608 HydrophobicContact CE2-CG1 4.46Å; I608-L619 HydrophobicContact CG2-CD1 4.36Å; I608-L619 HydrophobicContact CG2-CD2 4.42Å; I608-L619 HydrophobicContact CG2-CG 4.21Å; I608-T620 WeakPolarHBondContact CA-O 3.41Å; I608-Y621 HydrophobicContact CG1-CD2 4.1Å; I608-L645 HydrophobicContact CD1-CD1 4.14Å; I608-L645 HydrophobicContact CG1-CD1 4.49Å; I608-R648 HydrophobicContact CD1-CB 3.57Å; I608-R648 HydrophobicContact CG1-CB 4.45Å; I608-M649 HydrophobicContact CD1-CG 3.99Å; I608-V652 HydrophobicContact CD1-CG2 4.38Å
609	I	95.1	Very high	89.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.4	168	-53.4	152.5	0	0	0	107.2	F477 W479 T596 L597 Q598 L619 T620 I622	F477-I609 HydrophobicContact CE2-CB 4.36Å; F477-I609 HydrophobicContact CE2-CD1 4.11Å; F477-I609 HydrophobicContact CE2-CG2 3.78Å; F477-I609 HydrophobicContact CZ-CD1 4.36Å; F477-I609 HydrophobicContact CZ-CG2 4.42Å; W479-I609 HydrophobicContact CB-CD1 3.88Å; W479-I609 HydrophobicContact CD2-CD1 3.8Å; W479-I609 HydrophobicContact CE3-CD1 3.71Å; W479-I609 HydrophobicContact CG-CD1 3.87Å; T596-I609 HydrophobicContact CG2-CG2 3.78Å; L597-I609 CarbonylContact O-C 3.57Å; L597-I609 WeakPolarHBondContact O-CA 3.42Å; Q598-I609 HydrophobicContact CB-CG1 4.2Å; Q598-I609 HydrophobicContact CG-CG1 3.8Å; I609-L619 CarbonylContact O-C 3.48Å; I609-L619 WeakPolarHBondContact O-CA 3.17Å; I609-T620 PolarHBondContact N-O 3.19Å; I609-T620 PolarHBondContact O-N 3.34Å; I609-I622 HydrophobicContact CD1-CD1 4.01Å
610	L	94.8	Very high	89	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.3	174.8	-178.1	78.3	0	0	0	107.9	A450 L454 T596 L597 Y617 L618 L619 L633	A450-L610 HydrophobicContact CB-CD2 3.71Å; L454-L610 HydrophobicContact CD1-CD2 4.2Å; L454-L610 HydrophobicContact CD2-CD1 4.27Å; L454-L610 HydrophobicContact CD2-CD2 4.31Å; L454-L610 HydrophobicContact CG-CD2 4Å; T596-L610 WeakPolarHBondContact CA-O 2.94Å; L597-L610 HydrophobicContact CB-CB 4.37Å; L597-L610 HydrophobicContact CD2-CD2 4.45Å; L597-L610 PolarHBondContact N-O 2.87Å; L597-L610 PolarHBondContact O-N 3.44Å; L610-Y617 HydrophobicContact CD1-CD1 4.27Å; L610-Y617 HydrophobicContact CD2-CD1 4.39Å; L610-Y617 HydrophobicContact CG-CD1 4.17Å; L610-L618 WeakPolarHBondContact CA-O 3.29Å; L610-L619 HydrophobicContact CD1-CB 4.3Å; L610-L633 HydrophobicContact CD1-CD2 4.32Å
611	C	91.4	Very high	89	Confident	7 Å²	7	37.9 Å²	37.9	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.1	178	66.4	0	0	0	0	111	T596 Y617 L618	T596-C611 HydrophobicContact CG2-CB 4.11Å; C611-Y617 WeakPolarHBondContact O-CA 3.5Å; C611-L618 PolarHBondContact N-O 3.41Å; C611-L618 VanDerWaalsContact N-O 3.07Å; C611-L618 PolarHBondContact O-N 3.18Å
612	K	86.3	Confident	89	Confident	123 Å²	123	37.7 Å²	37.7	54%	0.535	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.9	178.2	-167.7	178.6	-176.3	176.8	0	109.4	S616 Y617	K612-S616 CarbonylContact C-O 3.6Å; K612-S616 WeakPolarHBondContact CA-O 3.29Å; K612-Y617 HydrophobicContact CB-CD1 4.19Å; K612-Y617 HydrophobicContact CB-CE1 3.98Å; K612-Y617 HydrophobicContact CD-CE1 4.39Å; K612-Y617 HydrophobicContact CD-CE2 4.17Å; K612-Y617 HydrophobicContact CG-CE1 4.27Å; K612-Y617 HydrophobicContact CG-CE2 4.26Å
613	S	78.8	Confident	89.1	Confident	33 Å²	33	34.8 Å²	34.8	23%	0.231	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	123.3	-176.4	-164.3	0	0	0	0	110.7	G615 S616	S613-G615 PolarHBondContact O-N 3.03Å; S613-S616 PolarHBondContact N-O 2.94Å; S613-S616 PolarHBondContact O-N 2.93Å; S613-S616 VanDerWaalsContact O-N 3.13Å
614	S	72.4	Confident	89.3	Confident	101 Å²	101	36.6 Å²	36.6	71%	0.706	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	41.4	-178.9	-63.4	0	0	0	0	114.4	K475 S616	K475-S614 PolarHBondContact NZ-OG 3.13Å; S614-S616 VanDerWaalsContact C-N 3.34Å; S614-S616 PolarHBondContact O-N 3.21Å
615	G	76.8	Confident	89.2	Confident	58 Å²	58	42 Å²	42	60%	0.598	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.1	-35.9	179.6	0	0	0	0	0	114.5	S613	S613-G615 PolarHBondContact O-N 3.03Å
616	S	85.8	Confident	89.2	Confident	62 Å²	62	40.2 Å²	40.2	43%	0.434	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	161.1	-179.4	-63.9	0	0	0	0	113.1	K612 S613 S614	K612-S616 CarbonylContact C-O 3.6Å; K612-S616 WeakPolarHBondContact CA-O 3.29Å; S613-S616 PolarHBondContact N-O 2.94Å; S613-S616 PolarHBondContact O-N 2.93Å; S613-S616 VanDerWaalsContact O-N 3.13Å; S614-S616 VanDerWaalsContact C-N 3.34Å; S614-S616 PolarHBondContact O-N 3.21Å
617	Y	91.8	Very high	88.9	Confident	42 Å²	42	42.6 Å²	42.6	17%	0.165	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.8	170.3	-73.9	-95.1	0	0	0	111.2	S449 V453 L610 C611 K612 L633	S449-Y617 PolarHBondContact OG-OH 2.63Å; V453-Y617 HydrophobicContact CG1-CD1 4.09Å; V453-Y617 HydrophobicContact CG1-CD2 3.76Å; V453-Y617 HydrophobicContact CG1-CE1 4.39Å; V453-Y617 HydrophobicContact CG1-CE2 4.11Å; V453-Y617 HydrophobicContact CG1-CG 3.74Å; V453-Y617 HydrophobicContact CG2-CD2 4.24Å; V453-Y617 HydrophobicContact CG2-CE2 3.78Å; L610-Y617 HydrophobicContact CD1-CD1 4.27Å; L610-Y617 HydrophobicContact CD2-CD1 4.39Å; L610-Y617 HydrophobicContact CG-CD1 4.17Å; C611-Y617 WeakPolarHBondContact O-CA 3.5Å; K612-Y617 HydrophobicContact CB-CD1 4.19Å; K612-Y617 HydrophobicContact CB-CE1 3.98Å; K612-Y617 HydrophobicContact CD-CE1 4.39Å; K612-Y617 HydrophobicContact CD-CE2 4.17Å; K612-Y617 HydrophobicContact CG-CE1 4.27Å; K612-Y617 HydrophobicContact CG-CE2 4.26Å; Y617-L633 PolarHBondContact O-N 2.82Å
618	L	92.7	Very high	88.6	Confident	12 Å²	12	43 Å²	43	6%	0.063	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136	172	-63.3	175.8	0	0	0	108.9	L471 L610 C611 T630 Y631 L632	L471-L618 HydrophobicContact CD1-CD2 3.77Å; L610-L618 WeakPolarHBondContact CA-O 3.29Å; C611-L618 PolarHBondContact N-O 3.41Å; C611-L618 VanDerWaalsContact N-O 3.07Å; C611-L618 PolarHBondContact O-N 3.18Å; L618-T630 HydrophobicContact CB-CG2 4.25Å; L618-T630 HydrophobicContact CD2-CG2 4.47Å; L618-Y631 WeakPolarHBondContact CA-O 3.38Å; L618-L632 HydrophobicContact CD2-CD2 3.81Å; L618-L632 HydrophobicContact CD2-CG 4.24Å
619	L	94.6	Very high	88.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.1	172.1	-170.3	155.3	0	0	0	108.9	L454 I608 I609 L610 Y631 L633 L636 L645 M649	L454-L619 HydrophobicContact CD2-CD1 3.9Å; I608-L619 HydrophobicContact CG2-CD1 4.36Å; I608-L619 HydrophobicContact CG2-CD2 4.42Å; I608-L619 HydrophobicContact CG2-CG 4.21Å; I609-L619 CarbonylContact O-C 3.48Å; I609-L619 WeakPolarHBondContact O-CA 3.17Å; L610-L619 HydrophobicContact CD1-CB 4.3Å; L619-Y631 PolarHBondContact N-O 3.49Å; L619-Y631 PolarHBondContact O-N 2.89Å; L619-L633 HydrophobicContact CB-CD1 4.26Å; L619-L633 HydrophobicContact CD1-CD1 3.94Å; L619-L636 HydrophobicContact CB-CD1 4.09Å; L619-L636 HydrophobicContact CD1-CD1 4.31Å; L619-L636 HydrophobicContact CD2-CD1 4.38Å; L619-L636 HydrophobicContact CG-CD1 4.49Å; L619-L645 HydrophobicContact CD2-CD1 4.02Å; L619-M649 HydrophobicContact CD1-CE 3.86Å; L619-M649 HydrophobicContact CD1-CG 3.93Å; L619-M649 HydrophobicContact CD1-SD 3.9Å
620	T	94	Very high	88.2	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.5	173.9	-56.6	0	0	0	0	109.7	F477 V565 I608 I609 I622 Y629 T630	F477-T620 WeakPolarHBondContact CE1-OG1 3.2Å; F477-T620 HydrophobicContact CZ-CG2 4.22Å; F477-T620 VanDerWaalsContact CZ-OG1 3.26Å; F477-T620 WeakPolarHBondContact CZ-OG1 3.47Å; V565-T620 HydrophobicContact CG2-CG2 4.37Å; I608-T620 WeakPolarHBondContact CA-O 3.41Å; I609-T620 PolarHBondContact N-O 3.19Å; I609-T620 PolarHBondContact O-N 3.34Å; T620-I622 HydrophobicContact CG2-CG1 4.36Å; T620-Y629 WeakPolarHBondContact CA-O 3.3Å; T620-T630 WeakPolarHBondContact CG2-OG1 3.4Å; T620-T630 WeakPolarHBondContact OG1-CG2 3.26Å; T620-T630 PolarHBondContact OG1-OG1 2.86Å
621	Y	94	Very high	88.1	Confident	6 Å²	6	47.1 Å²	47.1	2%	0.024	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.4	169.8	-178.2	-122.7	0	0	0	109.3	T606 K607 I608 S628 Y629 E644 L645 R648	T606-Y621 HydrophobicContact CG2-CE2 4.32Å; T606-Y621 WeakPolarHBondContact CG2-OH 3.42Å; K607-Y621 WeakPolarHBondContact O-CA 3.31Å; K607-Y621 VanDerWaalsContact O-CD2 3.32Å; K607-Y621 WeakPolarHBondContact O-CD2 3.47Å; I608-Y621 HydrophobicContact CG1-CD2 4.1Å; Y621-S628 WeakPolarHBondContact O-CA 3.43Å; Y621-Y629 PolarHBondContact N-O 2.86Å; Y621-Y629 PolarHBondContact O-N 2.79Å; Y621-E644 PolarHBondContact OH-OE2 3.07Å; Y621-L645 HydrophobicContact CD2-CD1 3.94Å; Y621-L645 HydrophobicContact CG-CD1 3.94Å; Y621-R648 HydrophobicContact CE2-CG 4.44Å
622	I	92.2	Very high	88.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.1	171.1	-62.4	169	0	0	0	107.4	W479 V565 T606 K607 I609 T620 V627	W479-I622 HydrophobicContact CE3-CD1 4.2Å; W479-I622 HydrophobicContact CH2-CD1 3.63Å; W479-I622 HydrophobicContact CZ2-CD1 4.12Å; W479-I622 HydrophobicContact CZ3-CD1 3.67Å; V565-I622 HydrophobicContact CG2-CD1 4.24Å; T606-I622 VanDerWaalsContact CA-O 3.29Å; T606-I622 WeakPolarHBondContact CA-O 3.33Å; K607-I622 HydrophobicContact CB-CB 4.07Å; K607-I622 HydrophobicContact CB-CD1 4.36Å; K607-I622 HydrophobicContact CD-CD1 4.06Å; K607-I622 HydrophobicContact CG-CB 4.2Å; K607-I622 PolarHBondContact N-O 3.01Å; K607-I622 PolarHBondContact O-N 3.3Å; I609-I622 HydrophobicContact CD1-CD1 4.01Å; T620-I622 HydrophobicContact CG2-CG1 4.36Å; I622-V627 WeakPolarHBondContact CA-O 3.44Å
623	S	89.6	Confident	88.5	Confident	8 Å²	8	43.9 Å²	43.9	6%	0.056	24%	0.238	C	C	.	.			trans	-78.9	-178.7	-174.4	81.5	0	0	0	0	112.9	E625 R626 V627	S623-E625 VanDerWaalsContact C-N 3.26Å; S623-E625 WeakPolarHBondContact CB-OE2 3.27Å; S623-E625 PolarHBondContact O-N 3.37Å; S623-E625 PolarHBondContact OG-N 3.47Å; S623-E625 PolarHBondContact OG-OE2 3.05Å; S623-R626 WeakPolarHBondContact O-CA 3.4Å; S623-R626 PolarHBondContact O-N 2.82Å; S623-V627 PolarHBondContact N-O 2.94Å
624	R	88.7	Confident	89.1	Confident	136 Å²	136	45.1 Å²	45.1	51%	0.513	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-32.3	178.6	-57.6	-179.6	-177.1	162.1	8.5	111.5	D604 T606 R626 E644	D604-R624 HydrophobicContact CB-CG 4.07Å; D604-R624 IonicContact OD2-CZ 2.9Å; D604-R624 IonicContact OD2-NE 3.76Å; D604-R624 PolarHBondContact OD2-NE 3.16Å; D604-R624 IonicContact OD2-NH2 3.9Å; D604-R624 PolarHBondContact OD2-NH2 2.59Å; T606-R624 HydrophobicContact CG2-CG 3.6Å; R624-R626 PolarHBondContact O-N 3.17Å; R624-E644 IonicContact CZ-OE1 2.92Å; R624-E644 IonicContact NE-OE1 3.23Å; R624-E644 IonicContact NH2-OE1 3.81Å; R624-E644 PolarHBondContact NH2-OE1 2.69Å
625	E	85.9	Confident	90.1	Very high	135 Å²	135	42.4 Å²	42.4	63%	0.631	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-2.1	173.5	-51.7	68.2	-144.8	0	0	112	S623 V627	S623-E625 VanDerWaalsContact C-N 3.26Å; S623-E625 WeakPolarHBondContact CB-OE2 3.27Å; S623-E625 PolarHBondContact O-N 3.37Å; S623-E625 PolarHBondContact OG-N 3.47Å; S623-E625 PolarHBondContact OG-OE2 3.05Å; E625-V627 HydrophobicContact CB-CG2 4.26Å; E625-V627 PolarHBondContact O-N 2.89Å
626	R	85	Confident	90.9	Very high	94 Å²	94	39.7 Å²	39.7	36%	0.355	19%	0.194	S	C	.	.			trans	65.7	10.8	-176.9	-52.5	-167.7	-161.9	161.1	17.3	115.7	M560 E561 G563 D564 S623 R624	M560-R626 VanDerWaalsContact CB-NH1 3.31Å; M560-R626 PolarHBondContact SD-NH2 3.36Å; E561-R626 PolarHBondContact O-NH1 3.42Å; G563-R626 WeakPolarHBondContact CA-O 3.44Å; D564-R626 PolarHBondContact N-O 3.32Å; D564-R626 VanDerWaalsContact N-O 3.14Å; S623-R626 WeakPolarHBondContact O-CA 3.4Å; S623-R626 PolarHBondContact O-N 2.82Å; R624-R626 PolarHBondContact O-N 3.17Å
627	V	86.7	Confident	91.3	Very high	51 Å²	51	37.9 Å²	37.9	31%	0.309	18%	0.182	S	C	.	.			trans	-72.6	135.4	171.2	-176.1	0	0	0	0	109.6	D564 I622 S623 E625 Y629	D564-V627 WeakPolarHBondContact OD2-CA 3.27Å; I622-V627 WeakPolarHBondContact CA-O 3.44Å; S623-V627 PolarHBondContact N-O 2.94Å; E625-V627 HydrophobicContact CB-CG2 4.26Å; E625-V627 PolarHBondContact O-N 2.89Å; V627-Y629 HydrophobicContact CB-CE2 3.95Å; V627-Y629 HydrophobicContact CG1-CE1 4.06Å; V627-Y629 HydrophobicContact CG1-CE2 3.81Å; V627-Y629 WeakPolarHBondContact CG1-OH 3.39Å
628	S	88.9	Confident	91.4	Very high	30 Å²	30	42.3 Å²	42.3	21%	0.21	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.6	-179.5	63.8	0	0	0	0	113	D564 V565 Y621	D564-S628 WeakPolarHBondContact OD1-CB 3.44Å; D564-S628 PolarHBondContact OD1-N 3.18Å; D564-S628 PolarHBondContact OD1-OG 2.94Å; V565-S628 WeakPolarHBondContact CG2-OG 3.4Å; Y621-S628 WeakPolarHBondContact O-CA 3.43Å
629	Y	90.4	Very high	91.4	Very high	81 Å²	81	46.6 Å²	46.6	32%	0.318	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	111.2	178.8	-55.2	-85.5	0	0	0	108.8	C470 T620 Y621 V627 Y631	C470-Y629 HydrophobicContact CB-CD1 4.41Å; T620-Y629 WeakPolarHBondContact CA-O 3.3Å; Y621-Y629 PolarHBondContact N-O 2.86Å; Y621-Y629 PolarHBondContact O-N 2.79Å; V627-Y629 HydrophobicContact CB-CE2 3.95Å; V627-Y629 HydrophobicContact CG1-CE1 4.06Å; V627-Y629 HydrophobicContact CG1-CE2 3.81Å; V627-Y629 WeakPolarHBondContact CG1-OH 3.39Å; Y629-Y631 VanDerWaalsContact CB-OH 3.28Å; Y629-Y631 WeakPolarHBondContact CB-OH 3.49Å
630	T	92.3	Very high	91.3	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	133.4	179.4	-57.2	0	0	0	0	110.9	C470 L471 P474 L618 T620	C470-T630 WeakPolarHBondContact CA-O 3.23Å; L471-T630 HydrophobicContact CD1-CG2 4.27Å; L471-T630 PolarHBondContact N-O 3.36Å; P474-T630 HydrophobicContact CB-CG2 3.75Å; L618-T630 HydrophobicContact CB-CG2 4.25Å; L618-T630 HydrophobicContact CD2-CG2 4.47Å; T620-T630 WeakPolarHBondContact CG2-OG1 3.4Å; T620-T630 WeakPolarHBondContact OG1-CG2 3.26Å; T620-T630 PolarHBondContact OG1-OG1 2.86Å
631	Y	92.2	Very high	91.4	Very high	6 Å²	6	46.7 Å²	46.7	2%	0.024	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.9	-177.6	-51.4	-73.5	0	0	0	110.9	N467 P468 C470 L618 L619 Y629 L636 L645	N467-Y631 HydrophobicContact CB-CE1 4.18Å; N467-Y631 VanDerWaalsContact CB-OH 3.27Å; N467-Y631 WeakPolarHBondContact CB-OH 3.46Å; N467-Y631 PolarHBondContact ND2-OH 3.48Å; P468-Y631 HydrophobicContact CG-CD1 3.98Å; P468-Y631 HydrophobicContact CG-CE1 4.25Å; P468-Y631 VanDerWaalsContact O-CE1 3.32Å; P468-Y631 WeakPolarHBondContact O-CE1 3.4Å; C470-Y631 HydrophobicContact CB-CD1 4.21Å; C470-Y631 HydrophobicContact CB-CE1 3.76Å; L618-Y631 WeakPolarHBondContact CA-O 3.38Å; L619-Y631 PolarHBondContact N-O 3.49Å; L619-Y631 PolarHBondContact O-N 2.89Å; Y629-Y631 VanDerWaalsContact CB-OH 3.28Å; Y629-Y631 WeakPolarHBondContact CB-OH 3.49Å; Y631-L636 HydrophobicContact CD1-CD2 4.47Å; Y631-L636 HydrophobicContact CD2-CD1 4.21Å; Y631-L636 HydrophobicContact CD2-CD2 4.16Å; Y631-L636 HydrophobicContact CG-CD1 4.23Å; Y631-L636 HydrophobicContact CG-CD2 4Å; Y631-L636 HydrophobicContact CG-CG 4.2Å; Y631-L645 HydrophobicContact CD2-CD2 4.22Å; Y631-L645 HydrophobicContact CE2-CD2 3.82Å
632	L	92.3	Very high	91.4	Very high	51 Å²	51	47.4 Å²	47.4	27%	0.267	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	133.4	158.5	-78.2	162.2	0	0	0	108.6	L471 L618 S634 M635 L636	L471-L632 HydrophobicContact CD1-CG 4.45Å; L471-L632 HydrophobicContact CD2-CD1 4.31Å; L471-L632 HydrophobicContact CD2-CG 4.4Å; L618-L632 HydrophobicContact CD2-CD2 3.81Å; L618-L632 HydrophobicContact CD2-CG 4.24Å; L632-S634 PolarHBondContact O-N 3.47Å; L632-M635 HydrophobicContact CB-CB 4.04Å; L632-M635 WeakPolarHBondContact O-CB 3.48Å; L632-M635 PolarHBondContact O-N 2.82Å; L632-L636 PolarHBondContact O-N 3.3Å; L632-L636 VanDerWaalsContact O-N 3.14Å
633	L	93.3	Very high	91.4	Very high	11 Å²	11	51.2 Å²	51.2	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-68	-26.2	-179.5	-166.3	70	0	0	0	112.6	V453 L454 C457 L610 Y617 L619 L636 S637 M649	V453-L633 HydrophobicContact CG1-CD2 3.24Å; L454-L633 HydrophobicContact CD2-CD1 4.37Å; C457-L633 HydrophobicContact CB-CD1 3.94Å; C457-L633 HydrophobicContact CB-CD2 4.08Å; C457-L633 HydrophobicContact CB-CG 3.82Å; C457-L633 VanDerWaalsContact SG-CD1 3.56Å; C457-L633 PolarHBondContact SG-O 3.32Å; L610-L633 HydrophobicContact CD1-CD2 4.32Å; Y617-L633 PolarHBondContact O-N 2.82Å; L619-L633 HydrophobicContact CB-CD1 4.26Å; L619-L633 HydrophobicContact CD1-CD1 3.94Å; L633-L636 HydrophobicContact CD1-CD1 4.02Å; L633-L636 PolarHBondContact O-N 3.36Å; L633-S637 WeakPolarHBondContact O-CB 3.45Å; L633-S637 PolarHBondContact O-N 3.21Å; L633-M649 HydrophobicContact CD1-CE 3.91Å
634	S	92	Very high	91.5	Very high	58 Å²	58	54.1 Å²	54.1	41%	0.406	28%	0.276	S	S	.	.	H	α-helix	trans	-64.2	-46.8	170.4	64.2	0	0	0	0	111.4	L632 L636 S637 E638	L632-S634 PolarHBondContact O-N 3.47Å; S634-L636 VanDerWaalsContact C-N 3.31Å; S634-L636 PolarHBondContact O-N 3.01Å; S634-S637 CarbonylContact O-C 3.58Å; S634-S637 VanDerWaalsContact O-CA 3.31Å; S634-S637 WeakPolarHBondContact O-CA 3.14Å; S634-S637 WeakPolarHBondContact O-CB 3.42Å; S634-S637 PolarHBondContact O-N 3.01Å; S634-E638 VanDerWaalsContact CB-OE1 3.32Å; S634-E638 WeakPolarHBondContact CB-OE1 3.46Å; S634-E638 WeakPolarHBondContact O-CB 3.25Å; S634-E638 VanDerWaalsContact O-CG 3.29Å; S634-E638 WeakPolarHBondContact O-CG 3.29Å; S634-E638 PolarHBondContact O-N 3.23Å
635	M	92.6	Very high	91.7	Very high	45 Å²	45	47.7 Å²	47.7	22%	0.222	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-39.4	175.2	-178	-171.1	-75.6	0	0	112.4	P468 P469 L632 S637 E638 M639	P468-M635 HydrophobicContact CB-CG 4Å; P468-M635 HydrophobicContact CB-SD 3.93Å; P468-M635 HydrophobicContact CG-CG 4.12Å; P468-M635 HydrophobicContact CG-SD 4.15Å; P469-M635 VanDerWaalsContact O-SD 3.39Å; L632-M635 HydrophobicContact CB-CB 4.04Å; L632-M635 WeakPolarHBondContact O-CB 3.48Å; L632-M635 PolarHBondContact O-N 2.82Å; M635-S637 VanDerWaalsContact C-N 3.32Å; M635-E638 PolarHBondContact O-N 2.83Å; M635-M639 HydrophobicContact CG-CG 4.22Å; M635-M639 HydrophobicContact CG-SD 3.67Å; M635-M639 WeakPolarHBondContact O-CB 3.45Å; M635-M639 WeakPolarHBondContact O-CG 3.46Å; M635-M639 PolarHBondContact O-N 3Å; M635-M639 HydrophobicContact SD-SD 4.41Å
636	L	94.2	Very high	92.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-37.7	171.9	-70.3	170.4	0	0	0	111.9	M461 P468 L619 Y631 L632 L633 S634 G640 C641 L645	M461-L636 HydrophobicContact CE-CB 4.17Å; M461-L636 WeakPolarHBondContact CG-O 3.4Å; P468-L636 HydrophobicContact CG-CD2 3.86Å; L619-L636 HydrophobicContact CB-CD1 4.09Å; L619-L636 HydrophobicContact CD1-CD1 4.31Å; L619-L636 HydrophobicContact CD2-CD1 4.38Å; L619-L636 HydrophobicContact CG-CD1 4.49Å; Y631-L636 HydrophobicContact CD1-CD2 4.47Å; Y631-L636 HydrophobicContact CD2-CD1 4.21Å; Y631-L636 HydrophobicContact CD2-CD2 4.16Å; Y631-L636 HydrophobicContact CG-CD1 4.23Å; Y631-L636 HydrophobicContact CG-CD2 4Å; Y631-L636 HydrophobicContact CG-CG 4.2Å; L632-L636 PolarHBondContact O-N 3.3Å; L632-L636 VanDerWaalsContact O-N 3.14Å; L633-L636 HydrophobicContact CD1-CD1 4.02Å; L633-L636 PolarHBondContact O-N 3.36Å; S634-L636 VanDerWaalsContact C-N 3.31Å; S634-L636 PolarHBondContact O-N 3.01Å; L636-G640 WeakPolarHBondContact O-CA 3.42Å; L636-G640 PolarHBondContact O-N 2.8Å; L636-G640 VanDerWaalsContact O-N 3.16Å; L636-C641 HydrophobicContact CD2-CB 3.69Å; L636-L645 HydrophobicContact CD2-CD2 4.14Å
637	S	93.8	Very high	92.4	Very high	25 Å²	25	44 Å²	44	18%	0.175	24%	0.236	C	C	.	.	H	α-helix	trans	-69.6	-30.8	176.1	-160.8	0	0	0	0	113.4	A460 M461 P462 L633 S634 M635	A460-S637 WeakPolarHBondContact CB-OG 3.43Å; M461-S637 WeakPolarHBondContact CA-O 3.38Å; P462-S637 VanDerWaalsContact CD-O 3.3Å; P462-S637 WeakPolarHBondContact CD-O 3.38Å; L633-S637 WeakPolarHBondContact O-CB 3.45Å; L633-S637 PolarHBondContact O-N 3.21Å; S634-S637 CarbonylContact O-C 3.58Å; S634-S637 VanDerWaalsContact O-CA 3.31Å; S634-S637 WeakPolarHBondContact O-CA 3.14Å; S634-S637 WeakPolarHBondContact O-CB 3.42Å; S634-S637 PolarHBondContact O-N 3.01Å; M635-S637 VanDerWaalsContact C-N 3.32Å
638	E	93.3	Very high	92.8	Very high	134 Å²	134	43 Å²	43	63%	0.626	23%	0.227	S	C	*	.	H	α-helix	trans	-87.9	-40.9	-177.3	-70	155.7	-142.4	0	0	112.4	P462 S634 M635	P462-E638 WeakPolarHBondContact CG-O 3.49Å; S634-E638 VanDerWaalsContact CB-OE1 3.32Å; S634-E638 WeakPolarHBondContact CB-OE1 3.46Å; S634-E638 WeakPolarHBondContact O-CB 3.25Å; S634-E638 VanDerWaalsContact O-CG 3.29Å; S634-E638 WeakPolarHBondContact O-CG 3.29Å; S634-E638 PolarHBondContact O-N 3.23Å; M635-E638 PolarHBondContact O-N 2.83Å
639	M	94	Very high	93.1	Very high	103 Å²	103	41.6 Å²	41.6	51%	0.507	22%	0.217	S	C	.	.	H	α-helix	trans	-103.5	-12.4	-170.6	-58.8	-172.7	71.6	0	0	114.5	P468 M635	P468-M639 HydrophobicContact CB-CB 4.12Å; P468-M639 HydrophobicContact CB-CE 4.26Å; P468-M639 HydrophobicContact CB-SD 3.71Å; M635-M639 HydrophobicContact CG-CG 4.22Å; M635-M639 HydrophobicContact CG-SD 3.67Å; M635-M639 WeakPolarHBondContact O-CB 3.45Å; M635-M639 WeakPolarHBondContact O-CG 3.46Å; M635-M639 PolarHBondContact O-N 3Å; M635-M639 HydrophobicContact SD-SD 4.41Å
640	G	93.1	Very high	93.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	23%	0.225	C	C	.	.			trans	84.1	-174.5	-169.1	0	0	0	0	0	113.2	P468 L636	P468-G640 WeakPolarHBondContact CD-O 3.22Å; L636-G640 WeakPolarHBondContact O-CA 3.42Å; L636-G640 PolarHBondContact O-N 2.8Å; L636-G640 VanDerWaalsContact O-N 3.16Å
641	C	95.3	Very high	93.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.			trans	-162.1	169.8	173	75	0	0	0	0	110.5	M461 R466 L636 L645 R646	M461-C641 HydrophobicContact SD-CB 4.47Å; M461-C641 PolarHBondContact SD-SG 3.44Å; R466-C641 CarbonylContact O-C 3.44Å; R466-C641 WeakPolarHBondContact O-CA 3.47Å; L636-C641 HydrophobicContact CD2-CB 3.69Å; C641-L645 HydrophobicContact CB-CD2 4.09Å; C641-L645 HydrophobicContact CB-CG 4.46Å; C641-R646 PolarHBondContact O-NH2 3.16Å; C641-R646 VanDerWaalsContact O-NH2 3.11Å
642	S	94.3	Very high	93.3	Very high	22 Å²	22	45 Å²	45	15%	0.154	23%	0.23	C	C	.	.			trans	-61.5	155.7	-178.7	82	0	0	0	0	112.9	R466 N467 E644 L645 R646	R466-S642 PolarHBondContact O-N 3.01Å; N467-S642 VanDerWaalsContact OD1-CB 3.27Å; N467-S642 WeakPolarHBondContact OD1-CB 3.46Å; N467-S642 PolarHBondContact OD1-N 2.82Å; N467-S642 PolarHBondContact OD1-OG 3.07Å; S642-E644 PolarHBondContact O-N 2.89Å; S642-L645 PolarHBondContact O-N 2.87Å; S642-L645 PolarHBondContact OG-N 3.35Å; S642-R646 VanDerWaalsContact O-CB 3.3Å; S642-R646 WeakPolarHBondContact O-CB 3.19Å; S642-R646 PolarHBondContact O-N 3.06Å
643	A	91.6	Very high	93.3	Very high	79 Å²	79	42.8 Å²	42.8	65%	0.653	22%	0.218	S	C	*	.	H	α-helix	trans	-57.9	-33.1	177.7	0	0	0	0	0	113.1	H647	A643-H647 VanDerWaalsContact O-CB 3.22Å; A643-H647 WeakPolarHBondContact O-CB 3.32Å; A643-H647 PolarHBondContact O-N 2.83Å
644	E	90.8	Very high	93.2	Very high	70 Å²	70	47.3 Å²	47.3	33%	0.327	24%	0.239	S	C	.	.	H	α-helix	trans	-67.3	-52.9	176.3	-176.8	178.2	-124.2	0	0	111.5	Y621 R624 S642 R646 H647 R648	Y621-E644 PolarHBondContact OH-OE2 3.07Å; R624-E644 IonicContact CZ-OE1 2.92Å; R624-E644 IonicContact NE-OE1 3.23Å; R624-E644 IonicContact NH2-OE1 3.81Å; R624-E644 PolarHBondContact NH2-OE1 2.69Å; S642-E644 PolarHBondContact O-N 2.89Å; E644-R646 VanDerWaalsContact C-N 3.3Å; E644-R646 PolarHBondContact O-N 2.81Å; E644-H647 PolarHBondContact O-N 2.87Å; E644-R648 HydrophobicContact CG-CG 4.44Å; E644-R648 VanDerWaalsContact O-CG 3.26Å; E644-R648 WeakPolarHBondContact O-CG 3.19Å; E644-R648 PolarHBondContact O-N 2.84Å
645	L	93.1	Very high	93	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-41.3	-179.6	-179.2	54	0	0	0	110.7	I608 L619 Y621 Y631 L636 C641 S642 H647 R648 M649	I608-L645 HydrophobicContact CD1-CD1 4.14Å; I608-L645 HydrophobicContact CG1-CD1 4.49Å; L619-L645 HydrophobicContact CD2-CD1 4.02Å; Y621-L645 HydrophobicContact CD2-CD1 3.94Å; Y621-L645 HydrophobicContact CG-CD1 3.94Å; Y631-L645 HydrophobicContact CD2-CD2 4.22Å; Y631-L645 HydrophobicContact CE2-CD2 3.82Å; L636-L645 HydrophobicContact CD2-CD2 4.14Å; C641-L645 HydrophobicContact CB-CD2 4.09Å; C641-L645 HydrophobicContact CB-CG 4.46Å; S642-L645 PolarHBondContact O-N 2.87Å; S642-L645 PolarHBondContact OG-N 3.35Å; L645-H647 PolarHBondContact O-N 3.31Å; L645-R648 PolarHBondContact O-N 2.86Å; L645-M649 HydrophobicContact CD1-CG 4.29Å; L645-M649 HydrophobicContact CD1-SD 4.37Å; L645-M649 HydrophobicContact CG-SD 4.13Å; L645-M649 WeakPolarHBondContact O-CB 3.5Å; L645-M649 VanDerWaalsContact O-CG 3.29Å; L645-M649 WeakPolarHBondContact O-CG 3.32Å; L645-M649 PolarHBondContact O-N 3.3Å
646	R	94.6	Very high	92.7	Very high	33 Å²	33	43.8 Å²	43.8	13%	0.125	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-42.9	174.5	-168.7	175	-56.2	-146.7	-5.1	112.9	L458 M461 P462 C641 S642 E644 R650	L458-R646 HydrophobicContact CD2-CG 4.04Å; M461-R646 HydrophobicContact SD-CG 4.28Å; M461-R646 VanDerWaalsContact SD-CZ 3.55Å; M461-R646 PolarHBondContact SD-NH2 3Å; M461-R646 VanDerWaalsContact SD-NH2 3.41Å; P462-R646 PolarHBondContact O-NH1 2.71Å; P462-R646 VanDerWaalsContact O-NH1 3.09Å; P462-R646 PolarHBondContact O-NH2 3.13Å; C641-R646 PolarHBondContact O-NH2 3.16Å; C641-R646 VanDerWaalsContact O-NH2 3.11Å; S642-R646 VanDerWaalsContact O-CB 3.3Å; S642-R646 WeakPolarHBondContact O-CB 3.19Å; S642-R646 PolarHBondContact O-N 3.06Å; E644-R646 VanDerWaalsContact C-N 3.3Å; E644-R646 PolarHBondContact O-N 2.81Å; R646-R650 WeakPolarHBondContact O-CB 3.45Å; R646-R650 WeakPolarHBondContact O-CG 3.32Å; R646-R650 PolarHBondContact O-N 3.5Å
647	H	92.7	Very high	92.2	Very high	118 Å²	118	47 Å²	47	55%	0.546	23%	0.231	S	C	.	.	H	α-helix	trans	-65.8	-44.1	176.2	178.5	80	0	0	0	111.4	A643 E644 L645 R650 Y651	A643-H647 VanDerWaalsContact O-CB 3.22Å; A643-H647 WeakPolarHBondContact O-CB 3.32Å; A643-H647 PolarHBondContact O-N 2.83Å; E644-H647 PolarHBondContact O-N 2.87Å; L645-H647 PolarHBondContact O-N 3.31Å; H647-R650 PolarHBondContact O-N 3.14Å; H647-Y651 PolarHBondContact O-N 2.79Å
648	R	93.4	Very high	91.2	Very high	30 Å²	30	49.6 Å²	49.6	11%	0.113	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-45.2	175.8	-67.1	-83.1	176.6	-133.1	0.4	111.2	F601 D604 T606 I608 Y621 E644 L645 Y651 V652	F601-R648 HydrophobicContact CE2-CB 4.33Å; F601-R648 VanDerWaalsContact CE2-CD 3.45Å; F601-R648 HydrophobicContact CE2-CG 4.46Å; F601-R648 HydrophobicContact CZ-CB 4.2Å; F601-R648 VanDerWaalsContact CZ-CD 3.48Å; F601-R648 HydrophobicContact CZ-CG 4.47Å; D604-R648 IonicContact OD1-CZ 2.63Å; D604-R648 IonicContact OD1-NH2 3.46Å; D604-R648 PolarHBondContact OD1-NH2 2.59Å; D604-R648 IonicContact OD2-CZ 3.48Å; D604-R648 IonicContact OD2-NH2 2.67Å; D604-R648 PolarHBondContact OD2-NH2 2.79Å; T606-R648 PolarHBondContact OG1-NE 3.37Å; I608-R648 HydrophobicContact CD1-CB 3.57Å; I608-R648 HydrophobicContact CG1-CB 4.45Å; Y621-R648 HydrophobicContact CE2-CG 4.44Å; E644-R648 HydrophobicContact CG-CG 4.44Å; E644-R648 VanDerWaalsContact O-CG 3.26Å; E644-R648 WeakPolarHBondContact O-CG 3.19Å; E644-R648 PolarHBondContact O-N 2.84Å; L645-R648 PolarHBondContact O-N 2.86Å; R648-Y651 PolarHBondContact O-N 3.33Å; R648-V652 WeakPolarHBondContact O-CG2 3.43Å; R648-V652 PolarHBondContact O-N 3.49Å; R648-V652 VanDerWaalsContact O-N 3.09Å
649	M	95.1	Very high	90	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-44.5	174.8	-72.3	171.9	71.1	0	0	112.6	L454 L458 M461 I608 L619 L633 L645 Y651 V652 V653	L454-M649 HydrophobicContact CD2-CE 3.99Å; L458-M649 HydrophobicContact CD1-CB 4.12Å; L458-M649 HydrophobicContact CD2-CB 4Å; L458-M649 HydrophobicContact CD2-CE 4.29Å; L458-M649 HydrophobicContact CG-CB 4.36Å; L458-M649 HydrophobicContact CG-CE 4.28Å; M461-M649 HydrophobicContact CE-CE 3.95Å; M461-M649 HydrophobicContact CE-SD 4.21Å; I608-M649 HydrophobicContact CD1-CG 3.99Å; L619-M649 HydrophobicContact CD1-CE 3.86Å; L619-M649 HydrophobicContact CD1-CG 3.93Å; L619-M649 HydrophobicContact CD1-SD 3.9Å; L633-M649 HydrophobicContact CD1-CE 3.91Å; L645-M649 HydrophobicContact CD1-CG 4.29Å; L645-M649 HydrophobicContact CD1-SD 4.37Å; L645-M649 HydrophobicContact CG-SD 4.13Å; L645-M649 WeakPolarHBondContact O-CB 3.5Å; L645-M649 VanDerWaalsContact O-CG 3.29Å; L645-M649 WeakPolarHBondContact O-CG 3.32Å; L645-M649 PolarHBondContact O-N 3.3Å; M649-Y651 PolarHBondContact O-N 3.47Å; M649-V652 PolarHBondContact O-N 2.86Å; M649-V653 PolarHBondContact O-N 3.5Å
650	R	94.1	Very high	88.3	Confident	124 Å²	124	44.4 Å²	44.4	47%	0.468	23%	0.226	S	C	.	.	H	α-helix	trans	-62.2	-39.3	176	-75.9	171.6	176.8	167.8	-3.7	112.5	L458 R646 H647 V653 Q654	L458-R650 HydrophobicContact CD1-CG 3.82Å; L458-R650 HydrophobicContact CD2-CG 4.03Å; R646-R650 WeakPolarHBondContact O-CB 3.45Å; R646-R650 WeakPolarHBondContact O-CG 3.32Å; R646-R650 PolarHBondContact O-N 3.5Å; H647-R650 PolarHBondContact O-N 3.14Å; R650-V653 PolarHBondContact O-N 2.71Å; R650-Q654 WeakPolarHBondContact O-CG 3.28Å; R650-Q654 PolarHBondContact O-N 2.86Å
651	Y	92.1	Very high	85.7	Confident	38 Å²	38	51.5 Å²	51.5	15%	0.149	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-41.5	174.2	178.5	-87.2	0	0	0	111.9	T584 A587 F601 H647 R648 M649 Q654 L655	T584-Y651 PolarHBondContact OG1-OH 3.48Å; T584-Y651 VanDerWaalsContact OG1-OH 3.1Å; A587-Y651 HydrophobicContact CB-CE1 4.1Å; F601-Y651 AromaticContact CE1-CD1 3.45Å; F601-Y651 HydrophobicContact CE1-CD1 3.45Å; F601-Y651 VanDerWaalsContact CE1-CD1 3.45Å; F601-Y651 AromaticContact CE1-CE1 3.88Å; F601-Y651 HydrophobicContact CE1-CE1 3.88Å; F601-Y651 HydrophobicContact CE1-CG 4.13Å; F601-Y651 HydrophobicContact CZ-CD1 4Å; H647-Y651 PolarHBondContact O-N 2.79Å; R648-Y651 PolarHBondContact O-N 3.33Å; M649-Y651 PolarHBondContact O-N 3.47Å; Y651-Q654 PolarHBondContact O-N 3.39Å; Y651-L655 HydrophobicContact CD1-CD1 4.49Å; Y651-L655 HydrophobicContact CE1-CD1 3.63Å; Y651-L655 WeakPolarHBondContact O-CB 3.39Å; Y651-L655 PolarHBondContact O-N 3.26Å
652	V	93.5	Very high	82.8	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.012	31%	0.311	C	S	.	.	H	α-helix	trans	-61.3	-45.3	176	175.1	0	0	0	0	110.9	L454 L597 V599 F601 I608 R648 M649 L655 L656	L454-V652 HydrophobicContact CD1-CB 4.33Å; L454-V652 HydrophobicContact CD1-CG1 3.66Å; L597-V652 HydrophobicContact CD2-CG1 3.85Å; V599-V652 HydrophobicContact CB-CG2 4.05Å; V599-V652 HydrophobicContact CG1-CG2 4.11Å; V599-V652 HydrophobicContact CG2-CG1 4.07Å; V599-V652 HydrophobicContact CG2-CG2 3.83Å; F601-V652 HydrophobicContact CZ-CG2 4.2Å; I608-V652 HydrophobicContact CD1-CG2 4.38Å; R648-V652 WeakPolarHBondContact O-CG2 3.43Å; R648-V652 PolarHBondContact O-N 3.49Å; R648-V652 VanDerWaalsContact O-N 3.09Å; M649-V652 PolarHBondContact O-N 2.86Å; V652-L655 PolarHBondContact O-N 3.28Å; V652-L656 HydrophobicContact CG1-CD1 4.09Å; V652-L656 VanDerWaalsContact O-CG 3.3Å; V652-L656 WeakPolarHBondContact O-CG 3.12Å; V652-L656 PolarHBondContact O-N 3.43Å; V652-L656 VanDerWaalsContact O-N 3.14Å
653	V	93.4	Very high	82.3	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.03	32%	0.319	C	S	.	.	H	α-helix	trans	-55.6	-55.8	173	159.5	0	0	0	0	111.4	L454 N455 L458 M649 R650 L655 L656 E657	L454-V653 HydrophobicContact CB-CG2 3.56Å; L454-V653 HydrophobicContact CD1-CG2 4.44Å; N455-V653 WeakPolarHBondContact ND2-CG1 3.49Å; N455-V653 VanDerWaalsContact OD1-CG1 3.27Å; N455-V653 WeakPolarHBondContact OD1-CG1 3.42Å; L458-V653 HydrophobicContact CD1-CG2 3.88Å; M649-V653 PolarHBondContact O-N 3.5Å; R650-V653 PolarHBondContact O-N 2.71Å; V653-L655 PolarHBondContact O-N 3.03Å; V653-L656 PolarHBondContact O-N 3.24Å; V653-E657 HydrophobicContact CG1-CG 4.11Å; V653-E657 WeakPolarHBondContact CG1-OE1 3.23Å; V653-E657 WeakPolarHBondContact O-CG 3.22Å; V653-E657 PolarHBondContact O-N 3.05Å
654	Q	90.3	Very high	81.8	Confident	105 Å²	105	59.2 Å²	59.2	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-59	-35.7	-176.2	-73.6	172.9	-15.9	0	0	112.6	R650 Y651 H658	R650-Q654 WeakPolarHBondContact O-CG 3.28Å; R650-Q654 PolarHBondContact O-N 2.86Å; Y651-Q654 PolarHBondContact O-N 3.39Å; Q654-H658 PolarHBondContact O-N 3.34Å; Q654-H658 PolarHBondContact O-ND1 2.92Å
655	L	87.6	Confident	81.3	Confident	25 Å²	25	58.6 Å²	58.6	13%	0.131	30%	0.3	C	S	.	.	H	α-helix	trans	-66.5	-40.1	175.7	-172.8	162.5	0	0	0	111.9	T584 V589 Y651 V652 V653 R659	T584-L655 HydrophobicContact CG2-CD1 3.68Å; T584-L655 HydrophobicContact CG2-CG 4.22Å; V589-L655 HydrophobicContact CB-CD2 4.4Å; V589-L655 HydrophobicContact CG2-CD1 3.5Å; V589-L655 HydrophobicContact CG2-CD2 3.66Å; V589-L655 HydrophobicContact CG2-CG 4.27Å; Y651-L655 HydrophobicContact CD1-CD1 4.49Å; Y651-L655 HydrophobicContact CE1-CD1 3.63Å; Y651-L655 WeakPolarHBondContact O-CB 3.39Å; Y651-L655 PolarHBondContact O-N 3.26Å; V652-L655 PolarHBondContact O-N 3.28Å; V653-L655 PolarHBondContact O-N 3.03Å; L655-R659 WeakPolarHBondContact O-CB 3.47Å; L655-R659 PolarHBondContact O-N 3.33Å
656	L	87.4	Confident	80.6	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-71.9	-38.9	176.3	-63	170.7	0	0	0	111.8	A447 A450 M451 L597 V652 V653 R659 A660	A447-L656 HydrophobicContact CB-CD2 3.93Å; A450-L656 HydrophobicContact CB-CD1 4.19Å; M451-L656 HydrophobicContact CB-CB 3.97Å; M451-L656 HydrophobicContact CB-CD1 4.03Å; M451-L656 HydrophobicContact CG-CB 4.18Å; M451-L656 HydrophobicContact SD-CB 4.18Å; L597-L656 HydrophobicContact CD2-CD1 3.96Å; V652-L656 HydrophobicContact CG1-CD1 4.09Å; V652-L656 VanDerWaalsContact O-CG 3.3Å; V652-L656 WeakPolarHBondContact O-CG 3.12Å; V652-L656 PolarHBondContact O-N 3.43Å; V652-L656 VanDerWaalsContact O-N 3.14Å; V653-L656 PolarHBondContact O-N 3.24Å; L656-R659 WeakPolarHBondContact O-CB 3.32Å; L656-R659 PolarHBondContact O-N 3.35Å; L656-A660 PolarHBondContact O-N 2.91Å; L656-A660 VanDerWaalsContact O-N 3.14Å
657	E	83.4	Confident	79.7	Confident	67 Å²	67	63.9 Å²	63.9	31%	0.313	33%	0.33	S	S	.	.	H	α-helix	trans	-61	-54.2	176.4	-71.8	170.7	163.4	0	0	111.4	M451 N455 V653 R659 A660	M451-E657 HydrophobicContact CG-CG 4.02Å; M451-E657 HydrophobicContact SD-CB 4.19Å; M451-E657 HydrophobicContact SD-CG 3.5Å; M451-E657 WeakPolarHBondContact SD-CG 3.44Å; N455-E657 PolarHBondContact ND2-OE1 3.37Å; V653-E657 HydrophobicContact CG1-CG 4.11Å; V653-E657 WeakPolarHBondContact CG1-OE1 3.23Å; V653-E657 WeakPolarHBondContact O-CG 3.22Å; V653-E657 PolarHBondContact O-N 3.05Å; E657-R659 PolarHBondContact O-N 2.81Å; E657-A660 WeakPolarHBondContact O-CB 3.25Å; E657-A660 PolarHBondContact O-N 2.64Å
658	H	72.9	Confident	78.8	Confident	80 Å²	80	60.3 Å²	60.3	37%	0.37	32%	0.315	S	S	.	.	H	α-helix	trans	-61.6	-15	178.3	-74.7	69.5	0	0	0	113.4	Q654 S662	Q654-H658 PolarHBondContact O-N 3.34Å; Q654-H658 PolarHBondContact O-ND1 2.92Å; H658-S662 PolarHBondContact O-OG 3.19Å
659	R	67	Low	77.8	Confident	55 Å²	55	62.4 Å²	62.4	21%	0.208	33%	0.33	C	S	.	.	H	α-helix	trans	-91.1	-23.7	175.3	174.8	178.1	166.7	-150.5	-16.9	113	Q580 L655 L656 E657	Q580-R659 VanDerWaalsContact OE1-NH1 3.09Å; L655-R659 WeakPolarHBondContact O-CB 3.47Å; L655-R659 PolarHBondContact O-N 3.33Å; L656-R659 WeakPolarHBondContact O-CB 3.32Å; L656-R659 PolarHBondContact O-N 3.35Å; E657-R659 PolarHBondContact O-N 2.81Å
660	A	58.3	Low	76.5	Confident	74 Å²	74	67.2 Å²	67.2	61%	0.612	36%	0.355	S	S	*	.	H	α-helix	trans	-69.4	-28.7	172.6	0	0	0	0	0	111.6	L656 E657	L656-A660 PolarHBondContact O-N 2.91Å; L656-A660 VanDerWaalsContact O-N 3.14Å; E657-A660 WeakPolarHBondContact O-CB 3.25Å; E657-A660 PolarHBondContact O-N 2.64Å
661	D	38.4	Very low	75	Confident	150 Å²	150	62.4 Å²	62.4	80%	0.802	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	7.7	-178.2	-65.7	-29.7	0	0	0	114.9
662	S	35.8	Very low	73.5	Confident	144 Å²	144	64.6 Å²	64.6	100%	1.007	36%	0.363	S	S	*	.			trans	-142.2	0	-169.8	72.2	0	0	0	0	116.3	H658	H658-S662 PolarHBondContact O-OG 3.19Å

Retrieved 662 of 662 residues in 279.8 ms (Link to these results)

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