A0A2K6ACS5_MANLE Loading...

DDHD domain containing 2

AlphaFold DB , UniProt , Accession A0A2K6ACS5, Species MANLE (Mandrillus leucophaeus, Drill), Gene DDHD2, Length 711 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	28.5	Very low	242 Å²	242	152.9 Å²	152.9	100%	1.192	81%	0.814	S	S	*	*				0	101	0	-73.4	-171	169.8	0	0	106.9
2	S	30.8	Very low	28.4	Very low	114 Å²	114	148.5 Å²	148.5	80%	0.797	80%	0.804	S	S	*	*				75.2	133.6	122.5	131.5	0	0	0	0	112.8
3	S	29.6	Very low	28.3	Very low	91 Å²	91	151.7 Å²	151.7	64%	0.636	81%	0.811	S	S	*	*			cis	-177.7	128.3	6.9	38.7	0	0	0	0	106.6
4	V	31.2	Very low	28.3	Very low	121 Å²	121	149.3 Å²	149.3	73%	0.733	81%	0.812	S	S	*	*				82.9	113.5	97.3	177.9	0	0	0	0	114.9
5	Q	28.8	Very low	28.4	Very low	152 Å²	152	149.9 Å²	149.9	71%	0.71	81%	0.814	S	S	*	*			trans	43.3	135.8	136.9	-64.7	170.7	-43.7	0	0	122.6
6	S	27	Very low	28.5	Very low	122 Å²	122	148.6 Å²	148.6	85%	0.853	82%	0.815	S	S	*	*				-144.6	112.3	121.3	53.6	0	0	0	0	111.1
7	Q	28.8	Very low	28.7	Very low	143 Å²	143	146.2 Å²	146.2	67%	0.668	81%	0.812	S	S	*	*			trans	-66.3	136	160	-87.6	170.9	-39.8	0	0	109.1
8	Q	26.9	Very low	28.9	Very low	153 Å²	153	144.7 Å²	144.7	72%	0.715	81%	0.81	S	S	*	*				97	120.6	69.2	-163.2	178.2	21	0	0	111.4
9	E	27.2	Very low	29	Very low	186 Å²	186	142.9 Å²	142.9	87%	0.869	81%	0.808	S	S	*	*			trans	-174.8	97.5	145	-104.7	173.6	-174.5	0	0	107.9
10	Q	25.6	Very low	29.2	Very low	176 Å²	176	142.2 Å²	142.2	82%	0.822	81%	0.809	S	S	*	*				65.2	105.8	99.2	-90	-167	-8.5	0	0	115.6
11	L	25.7	Very low	29.1	Very low	182 Å²	182	142.7 Å²	142.7	95%	0.953	81%	0.81	S	S	*	*			trans	-151	137.9	142.4	-102.6	153.3	0	0	0	108.7
12	S	27	Very low	29.2	Very low	100 Å²	100	136.3 Å²	136.3	70%	0.699	79%	0.789	S	S	*	*			trans	-98.3	150.8	-161.3	50.2	0	0	0	0	114.1
13	Q	27.5	Very low	28.9	Very low	190 Å²	190	137.1 Å²	137.1	89%	0.888	79%	0.793	S	S	*	*			trans	76.8	107.3	156.1	-69.7	-177.8	-8.4	0	0	119.9
14	S	27.9	Very low	29.2	Very low	118 Å²	118	137.8 Å²	137.8	83%	0.825	80%	0.798	S	S	*	*			trans	-162.8	128.4	133.6	56.8	0	0	0	0	110.7
15	D	29.2	Very low	29	Very low	158 Å²	158	137.5 Å²	137.5	85%	0.845	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-52.4	146.3	172.5	-66.6	-54.8	0	0	0	113.5
16	P	30.9	Very low	29.2	Very low	129 Å²	129	138.7 Å²	138.7	84%	0.838	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-85.4	123.7	164.7	31.3	-26.8	0	0	0	110.9
17	S	31.8	Very low	29.5	Very low	109 Å²	109	140.6 Å²	140.6	76%	0.762	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67.4	159.5	175.2	44.7	0	0	0	0	113.6
18	P	32.1	Very low	29.9	Very low	119 Å²	119	141.5 Å²	141.5	77%	0.773	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-79.3	149.3	179.6	32.3	-33.4	0	0	0	112.6
19	S	31.4	Very low	30.6	Very low	111 Å²	111	141 Å²	141	78%	0.776	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-51.2	137.6	170.1	46.1	0	0	0	0	113.9
20	P	31.4	Very low	30.8	Very low	128 Å²	128	139.7 Å²	139.7	83%	0.831	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-93.5	124.2	171.9	33.2	-26.6	0	0	0	111.8
21	N	27.3	Very low	31.6	Very low	153 Å²	153	139.8 Å²	139.8	82%	0.818	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-75.1	144.4	156.1	-103.3	-14.4	0	0	0	110
22	S	34.6	Very low	32.2	Very low	108 Å²	108	139.1 Å²	139.1	76%	0.755	81%	0.808	S	S	*	*			trans	49	101.8	146.2	61.9	0	0	0	0	119
23	C	25.1	Very low	32.9	Very low	131 Å²	131	138.7 Å²	138.7	89%	0.885	81%	0.81	S	S	*	*			trans	-173.6	133.7	131.6	-129.1	0	0	0	0	112.2
24	S	35	Very low	33.8	Very low	105 Å²	105	132.7 Å²	132.7	73%	0.734	80%	0.8	S	S	*	*			trans	54	87.4	145.5	-179.3	0	0	0	0	118.4
25	S	27	Very low	35.4	Very low	115 Å²	115	131.2 Å²	131.2	80%	0.804	79%	0.789	S	S	*	*			trans	-105	99.4	147.5	39.3	0	0	0	0	108.4	E27	S25-E27 PolarHBondContact O-N 2.74Å; S25-E27 VanDerWaalsContact O-N 3.12Å
26	F	33	Very low	37.8	Very low	177 Å²	177	131.1 Å²	131.1	78%	0.776	79%	0.788	S	S	*	*			trans	-65.3	99	169.8	-161.4	-91.3	0	0	0	107.3	L28	F26-L28 HydrophobicContact CD1-CG 4.44Å; F26-L28 PolarHBondContact O-N 3.33Å; F26-L28 VanDerWaalsContact O-N 3.14Å
27	E	34.9	Very low	40.5	Very low	161 Å²	161	128 Å²	128	75%	0.752	76%	0.76	S	S	*	*			trans	-71.1	106	166.9	-79	-176.7	163	0	0	108.1	S25 I29	S25-E27 PolarHBondContact O-N 2.74Å; S25-E27 VanDerWaalsContact O-N 3.12Å; E27-I29 VanDerWaalsContact C-N 3.26Å; E27-I29 HydrophobicContact CB-CG1 4.28Å; E27-I29 PolarHBondContact O-N 3.44Å
28	L	36.3	Very low	43.2	Very low	163 Å²	163	129.9 Å²	129.9	85%	0.853	76%	0.757	S	S	*	*			trans	-60	91.5	157.9	-90	145.7	0	0	0	107.7	F26	F26-L28 HydrophobicContact CD1-CG 4.44Å; F26-L28 PolarHBondContact O-N 3.33Å; F26-L28 VanDerWaalsContact O-N 3.14Å
29	I	41.8	Very low	45.9	Very low	143 Å²	143	129 Å²	129	73%	0.733	75%	0.751	S	S	*	*			trans	-88.2	127.3	165	-60.9	175.7	0	0	0	107.4	E27	E27-I29 VanDerWaalsContact C-N 3.26Å; E27-I29 HydrophobicContact CB-CG1 4.28Å; E27-I29 PolarHBondContact O-N 3.44Å
30	D	32.1	Very low	48.8	Very low	157 Å²	157	124.7 Å²	124.7	84%	0.84	72%	0.72	S	S	*	*			trans	-31.5	128.3	-179.9	-91.9	-42.6	0	0	0	115.1
31	M	40.9	Very low	51.6	Low	179 Å²	179	122.7 Å²	122.7	88%	0.882	71%	0.709	S	S	*	*	S	Bend	trans	-68.4	137.9	154.6	-113.8	163.3	53.9	0	0	108.2
32	D	38.9	Very low	54.8	Low	167 Å²	167	116.8 Å²	116.8	89%	0.893	68%	0.679	S	S	*	*			trans	90	45.5	157.3	-120.5	16.2	0	0	0	119.4
33	A	40.8	Very low	57.7	Low	91 Å²	91	112.4 Å²	112.4	75%	0.752	65%	0.647	S	S	*	*			trans	-108.1	120.2	148.1	0	0	0	0	0	108.6	S35	A33-S35 PolarHBondContact O-N 3.4Å
34	G	46.8	Very low	61.1	Low	65 Å²	65	106.1 Å²	106.1	67%	0.67	60%	0.604	S	S	*	*			trans	-48.2	134.2	172.2	0	0	0	0	0	109.7	L36	G34-L36 VanDerWaalsContact C-N 3.28Å; G34-L36 PolarHBondContact O-N 3.05Å
35	S	61.4	Low	64	Low	86 Å²	86	101.4 Å²	101.4	60%	0.601	57%	0.571	S	S	*	*			trans	-62.9	90.1	-177.5	-63.2	0	0	0	0	109.2	A33 Y37 V144	A33-S35 PolarHBondContact O-N 3.4Å; S35-Y37 PolarHBondContact O-N 2.69Å; S35-V144 WeakPolarHBondContact O-CG1 3.42Å
36	L	80.6	Confident	67.3	Low	157 Å²	157	97.4 Å²	97.4	82%	0.822	54%	0.538	S	S	*	.			trans	-65.1	133	173.6	-72.4	167.5	0	0	0	107.5	G34 E38	G34-L36 VanDerWaalsContact C-N 3.28Å; G34-L36 PolarHBondContact O-N 3.05Å; L36-E38 PolarHBondContact O-N 2.93Å
37	Y	87.5	Confident	70.1	Confident	63 Å²	63	89.5 Å²	89.5	25%	0.247	51%	0.505	C	S	.	.			trans	-68.8	123.4	176.4	167.4	-97.4	0	0	0	109.8	S35 P39 E137 Y140 M141	S35-Y37 PolarHBondContact O-N 2.69Å; Y37-P39 HydrophobicContact CE1-CG 4.15Å; Y37-E137 WeakPolarHBondContact CE2-OE1 3.34Å; Y37-E137 PolarHBondContact OH-OE1 2.83Å; Y37-Y140 HydrophobicContact CD2-CD1 4.21Å; Y37-Y140 HydrophobicContact CD2-CE1 4.31Å; Y37-Y140 HydrophobicContact CE2-CD1 4.13Å; Y37-M141 HydrophobicContact CD1-CG 3.77Å; Y37-M141 HydrophobicContact CD1-SD 4.37Å; Y37-M141 HydrophobicContact CD2-CB 3.86Å; Y37-M141 HydrophobicContact CD2-CG 3.94Å; Y37-M141 HydrophobicContact CE1-CB 4.24Å; Y37-M141 HydrophobicContact CE1-CG 3.7Å; Y37-M141 HydrophobicContact CE1-SD 3.9Å; Y37-M141 HydrophobicContact CE2-CB 3.54Å; Y37-M141 HydrophobicContact CE2-CG 3.87Å; Y37-M141 HydrophobicContact CG-CB 4.31Å; Y37-M141 HydrophobicContact CG-CG 3.87Å
38	E	89.1	Confident	72.7	Confident	149 Å²	149	83.7 Å²	83.7	70%	0.696	48%	0.477	S	S	*	.			trans	-111.9	127.5	172	-67.6	-175.5	167.3	0	0	109.3	L36 R196	L36-E38 PolarHBondContact O-N 2.93Å; E38-R196 PolarHBondContact O-NH1 2.91Å; E38-R196 PolarHBondContact O-NH2 2.91Å
39	P	88.1	Confident	75	Confident	100 Å²	100	81.8 Å²	81.8	65%	0.649	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-57.1	139	177.9	-24.4	33.8	0	0	0	113	Y37	Y37-P39 HydrophobicContact CE1-CG 4.15Å
40	V	91.7	Very high	76.8	Confident	20 Å²	20	78.2 Å²	78.2	12%	0.121	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-72	133.3	176.7	59.5	0	0	0	0	110.1	T114 E137 R196	V40-T114 HydrophobicContact CG1-CG2 3.64Å; V40-T114 HydrophobicContact CG2-CG2 4.41Å; V40-E137 HydrophobicContact CG1-CG 4.27Å; V40-E137 WeakPolarHBondContact CG1-OE1 3.45Å; V40-R196 HydrophobicContact CB-CG 4.28Å; V40-R196 HydrophobicContact CG2-CG 4.12Å
41	S	91.4	Very high	78.8	Confident	87 Å²	87	77.9 Å²	77.9	61%	0.608	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-75.8	121.5	170.6	-65.9	0	0	0	0	109.2
42	P	93.8	Very high	80.5	Confident	29 Å²	29	75.2 Å²	75.2	19%	0.188	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-69.8	151.8	176.5	34.2	-39.5	0	0	0	110.4	E68 R112 T114	P42-E68 HydrophobicContact CG-CG 3.97Å; P42-E68 WeakPolarHBondContact CG-OE1 3.39Å; P42-E68 WeakPolarHBondContact CG-OE2 3.41Å; P42-R112 HydrophobicContact CB-CG 3.91Å; P42-T114 HydrophobicContact CB-CG2 3.87Å
43	H	96.1	Very high	82.6	Confident	15 Å²	15	72.5 Å²	72.5	7%	0.069	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.4	167.3	-164	80	0	0	0	109.8	F45 F59 S64 C113 V198	H43-F45 HydrophobicContact CB-CE2 4.1Å; H43-F45 AromaticContact CD2-CE2 3.62Å; H43-F59 PolarHBondContact CE1-O 2.84Å; H43-F59 PolarHBondContact NE2-O 2.83Å; H43-S64 WeakPolarHBondContact CE1-CB 3.46Å; H43-S64 PolarHBondContact CE1-OG 3.35Å; H43-S64 PolarHBondContact ND1-OG 2.66Å; H43-C113 PolarHBondContact N-O 3.32Å; H43-C113 WeakPolarHBondContact O-CA 3.28Å; H43-C113 WeakPolarHBondContact O-CB 3.44Å; H43-C113 PolarHBondContact O-N 3.02Å; H43-V198 HydrophobicContact CB-CG1 3.55Å; H43-V198 HydrophobicContact CB-CG2 4.17Å
44	W	96	Very high	84.8	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	139.7	-178.4	-68.8	79.6	0	0	0	110.9	F59 S64 L67 E68 Y71 L93 V110 R112	W44-F59 HydrophobicContact CB-CD2 3.72Å; W44-F59 HydrophobicContact CB-CE2 4.35Å; W44-F59 HydrophobicContact CB-CG 4.49Å; W44-F59 WeakPolarHBondContact O-CD2 3.38Å; W44-F59 PolarHBondContact O-N 3.06Å; W44-S64 PolarHBondContact N-OG 3.45Å; W44-L67 HydrophobicContact CB-CD1 3.75Å; W44-L67 HydrophobicContact CD2-CB 3.87Å; W44-L67 HydrophobicContact CD2-CD1 4.18Å; W44-L67 HydrophobicContact CE3-CD1 4.45Å; W44-L67 HydrophobicContact CG-CB 3.82Å; W44-L67 HydrophobicContact CG-CD1 3.88Å; W44-E68 PolarHBondContact NE1-OE2 2.65Å; W44-Y71 HydrophobicContact CH2-CD2 4.33Å; W44-Y71 HydrophobicContact CH2-CG 4.46Å; W44-Y71 HydrophobicContact CZ2-CD2 4.34Å; W44-Y71 HydrophobicContact CZ2-CG 4.01Å; W44-L93 HydrophobicContact CH2-CD2 3.69Å; W44-L93 HydrophobicContact CZ2-CD2 4.29Å; W44-L93 HydrophobicContact CZ3-CD2 3.98Å; W44-V110 HydrophobicContact CE3-CG1 3.54Å; W44-V110 HydrophobicContact CZ3-CG1 3.9Å; W44-R112 HydrophobicContact CD2-CB 4.1Å; W44-R112 HydrophobicContact CD2-CG 4.39Å; W44-R112 HydrophobicContact CE3-CB 4.1Å; W44-R112 HydrophobicContact CH2-CB 3.9Å; W44-R112 HydrophobicContact CH2-CG 4.47Å; W44-R112 HydrophobicContact CZ2-CB 3.84Å; W44-R112 HydrophobicContact CZ2-CG 3.92Å; W44-R112 HydrophobicContact CZ3-CB 4.02Å
45	F	95.9	Very high	86.8	Confident	5 Å²	5	72.8 Å²	72.8	2%	0.022	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	158.1	174.8	-73.6	-114.3	0	0	0	109.8	H43 W56 I57 P58 V110 R111 C113 F116 V198 I201	H43-F45 HydrophobicContact CB-CE2 4.1Å; H43-F45 AromaticContact CD2-CE2 3.62Å; F45-W56 HydrophobicContact CB-CE3 3.9Å; F45-W56 HydrophobicContact CD1-CB 4.27Å; F45-I57 CarbonylContact C-O 3.44Å; F45-I57 VanDerWaalsContact CA-O 3.26Å; F45-I57 WeakPolarHBondContact CA-O 3.16Å; F45-I57 WeakPolarHBondContact CB-O 3.48Å; F45-I57 VanDerWaalsContact CD1-C 3.47Å; F45-P58 HydrophobicContact CD1-CB 4.03Å; F45-P58 VanDerWaalsContact CD1-N 3.35Å; F45-P58 HydrophobicContact CE1-CB 3.65Å; F45-P58 HydrophobicContact CE1-CG 4.24Å; F45-P58 HydrophobicContact CE2-CB 4.3Å; F45-P58 HydrophobicContact CG-CB 4.49Å; F45-P58 HydrophobicContact CZ-CB 3.79Å; F45-V110 CarbonylContact O-C 3.33Å; F45-V110 WeakPolarHBondContact O-CA 3.3Å; F45-R111 PolarHBondContact N-O 3.47Å; F45-R111 PolarHBondContact O-N 2.97Å; F45-C113 HydrophobicContact CD2-CB 3.7Å; F45-C113 HydrophobicContact CE2-CB 4.11Å; F45-F116 HydrophobicContact CD2-CE1 4.32Å; F45-F116 HydrophobicContact CD2-CZ 4.37Å; F45-F116 HydrophobicContact CE1-CE1 4.24Å; F45-F116 AromaticContact CE2-CE1 3.8Å; F45-F116 HydrophobicContact CE2-CE1 3.8Å; F45-F116 AromaticContact CE2-CZ 3.63Å; F45-F116 HydrophobicContact CE2-CZ 3.63Å; F45-F116 AromaticContact CZ-CE1 3.76Å; F45-F116 HydrophobicContact CZ-CE1 3.76Å; F45-F116 AromaticContact CZ-CZ 3.85Å; F45-F116 HydrophobicContact CZ-CZ 3.85Å; F45-V198 HydrophobicContact CE2-CG1 3.81Å; F45-V198 HydrophobicContact CZ-CG1 3.97Å; F45-I201 HydrophobicContact CZ-CD1 4.26Å
46	Y	95.2	Very high	88.2	Confident	31 Å²	31	69.8 Å²	69.8	12%	0.122	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.2	168.8	65.4	-84.2	0	0	0	111.3	W56 I57 F59 R98 E109	Y46-W56 WeakPolarHBondContact O-CA 3.01Å; Y46-I57 HydrophobicContact CD1-CB 4.32Å; Y46-I57 WeakPolarHBondContact CD1-O 3.35Å; Y46-I57 HydrophobicContact CD2-CB 4.48Å; Y46-I57 HydrophobicContact CE1-CB 3.75Å; Y46-I57 HydrophobicContact CE1-CG2 3.74Å; Y46-I57 HydrophobicContact CE2-CB 3.94Å; Y46-I57 HydrophobicContact CE2-CD1 3.85Å; Y46-I57 HydrophobicContact CE2-CG1 4.35Å; Y46-I57 HydrophobicContact CE2-CG2 4.42Å; Y46-I57 PolarHBondContact N-O 3.24Å; Y46-I57 PolarHBondContact O-N 3.39Å; Y46-I57 WeakPolarHBondContact OH-CG2 3.4Å; Y46-F59 HydrophobicContact CD1-CD1 4.31Å; Y46-F59 HydrophobicContact CD1-CD2 4.07Å; Y46-F59 HydrophobicContact CD1-CE1 4.02Å; Y46-F59 AromaticContact CD1-CE2 3.77Å; Y46-F59 HydrophobicContact CD1-CE2 3.77Å; Y46-F59 HydrophobicContact CD1-CG 4.35Å; Y46-F59 AromaticContact CD1-CZ 3.75Å; Y46-F59 HydrophobicContact CD1-CZ 3.75Å; Y46-F59 HydrophobicContact CG-CE2 4.27Å; Y46-F59 HydrophobicContact CG-CZ 4.17Å; Y46-R98 VanDerWaalsContact CD2-NH1 3.33Å; Y46-R98 VanDerWaalsContact CG-NH1 3.34Å; Y46-E109 CarbonylContact C-O 3.6Å; Y46-E109 WeakPolarHBondContact CA-O 3.39Å
47	C	93.6	Very high	88.8	Confident	11 Å²	11	64.4 Å²	64.4	7%	0.074	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.8	179.7	-171.5	0	0	0	0	110.5	W56 S108 E109	C47-W56 HydrophobicContact CB-CD2 4.08Å; C47-W56 HydrophobicContact CB-CE3 4.03Å; C47-W56 HydrophobicContact CB-CH2 3.76Å; C47-W56 HydrophobicContact CB-CZ2 3.78Å; C47-W56 HydrophobicContact CB-CZ3 3.88Å; C47-S108 WeakPolarHBondContact O-CB 3.33Å; C47-S108 PolarHBondContact O-OG 3.11Å; C47-E109 HydrophobicContact CB-CB 4.17Å; C47-E109 PolarHBondContact N-O 3.22Å
48	K	88.9	Confident	89.1	Confident	39 Å²	39	62.6 Å²	62.6	17%	0.17	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.4	171.1	-165.7	165	-167.5	138.3	0	109.9	I50 T55 I57 E105	K48-I50 HydrophobicContact CB-CG1 4.41Å; K48-I50 HydrophobicContact CD-CG1 4.42Å; K48-I50 HydrophobicContact CG-CD1 4.49Å; K48-I50 HydrophobicContact CG-CG1 4.04Å; K48-I50 PolarHBondContact O-N 3.14Å; K48-T55 PolarHBondContact N-O 3.14Å; K48-T55 PolarHBondContact O-N 2.71Å; K48-I57 HydrophobicContact CB-CD1 4.05Å; K48-E105 IonicContact NZ-OE1 3.65Å; K48-E105 PolarHBondContact NZ-OE1 3.05Å
49	I	84.7	Confident	89.4	Confident	123 Å²	123	55.6 Å²	55.6	63%	0.631	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	113.8	173.1	-57	173.6	0	0	0	107.4	K53	I49-K53 WeakPolarHBondContact CA-O 3.27Å
50	I	78.5	Confident	89.7	Confident	69 Å²	69	52 Å²	52	35%	0.354	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.9	177	-55.5	174.7	0	0	0	106.4	K48 S52 K53	K48-I50 HydrophobicContact CB-CG1 4.41Å; K48-I50 HydrophobicContact CD-CG1 4.42Å; K48-I50 HydrophobicContact CG-CD1 4.49Å; K48-I50 HydrophobicContact CG-CG1 4.04Å; K48-I50 PolarHBondContact O-N 3.14Å; I50-S52 VanDerWaalsContact C-N 3.27Å; I50-S52 PolarHBondContact O-N 3.12Å; I50-K53 PolarHBondContact N-O 2.9Å; I50-K53 PolarHBondContact O-N 2.97Å; I50-K53 VanDerWaalsContact O-O 3.13Å
51	D	75.1	Confident	89.7	Confident	150 Å²	150	53.7 Å²	53.7	80%	0.802	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	43.4	-177.6	-55.4	-33.6	0	0	0	113.7	K53	D51-K53 PolarHBondContact O-N 3.06Å; D51-K53 VanDerWaalsContact O-N 3.15Å
52	S	76.8	Confident	89.8	Confident	123 Å²	123	52.5 Å²	52.5	86%	0.86	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	16.8	-176.6	-53	0	0	0	0	114.9	I50	I50-S52 VanDerWaalsContact C-N 3.27Å; I50-S52 PolarHBondContact O-N 3.12Å
53	K	82.6	Confident	89.9	Confident	109 Å²	109	51.5 Å²	51.5	47%	0.474	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.8	172.7	-66.6	-178.9	176.1	-178	0	111	I49 I50 D51 T55 D122	I49-K53 WeakPolarHBondContact CA-O 3.27Å; I50-K53 PolarHBondContact N-O 2.9Å; I50-K53 PolarHBondContact O-N 2.97Å; I50-K53 VanDerWaalsContact O-O 3.13Å; D51-K53 PolarHBondContact O-N 3.06Å; D51-K53 VanDerWaalsContact O-N 3.15Å; K53-T55 PolarHBondContact O-N 3.47Å; K53-D122 IonicContact NZ-OD2 3.54Å; K53-D122 PolarHBondContact NZ-OD2 3.43Å
54	E	86.6	Confident	89.9	Confident	137 Å²	137	51 Å²	51	64%	0.64	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	123.6	170.6	-69.4	177.8	-170.7	0	0	110.5
55	T	89.1	Confident	89.8	Confident	25 Å²	25	56.6 Å²	56.6	15%	0.153	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123	173.8	-59.7	0	0	0	0	108.9	K48 K53 I57	K48-T55 PolarHBondContact N-O 3.14Å; K48-T55 PolarHBondContact O-N 2.71Å; K53-T55 PolarHBondContact O-N 3.47Å; T55-I57 HydrophobicContact CG2-CG1 4.18Å
56	W	91.4	Very high	89.7	Confident	24 Å²	24	59.5 Å²	59.5	9%	0.091	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124	174.8	-70.6	87.9	0	0	0	109.9	F45 Y46 C47 E109 R111 P127	F45-W56 HydrophobicContact CB-CE3 3.9Å; F45-W56 HydrophobicContact CD1-CB 4.27Å; Y46-W56 WeakPolarHBondContact O-CA 3.01Å; C47-W56 HydrophobicContact CB-CD2 4.08Å; C47-W56 HydrophobicContact CB-CE3 4.03Å; C47-W56 HydrophobicContact CB-CH2 3.76Å; C47-W56 HydrophobicContact CB-CZ2 3.78Å; C47-W56 HydrophobicContact CB-CZ3 3.88Å; W56-E109 HydrophobicContact CH2-CB 4.36Å; W56-E109 HydrophobicContact CH2-CG 4.15Å; W56-R111 HydrophobicContact CE3-CB 4.4Å; W56-R111 HydrophobicContact CH2-CB 3.8Å; W56-R111 VanDerWaalsContact CZ2-NH2 3.31Å; W56-R111 HydrophobicContact CZ3-CB 3.46Å; W56-R111 VanDerWaalsContact CZ3-CB 3.46Å; W56-P127 HydrophobicContact CB-CG 4.1Å; W56-P127 HydrophobicContact CD2-CG 3.45Å; W56-P127 VanDerWaalsContact CD2-CG 3.45Å; W56-P127 HydrophobicContact CE3-CG 3.77Å; W56-P127 HydrophobicContact CG-CG 3.6Å; W56-P127 HydrophobicContact CZ3-CG 4.45Å
57	I	92.3	Very high	89.6	Confident	44 Å²	44	58 Å²	58	23%	0.226	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.9	-176.5	-54.8	173.4	0	0	0	107.8	F45 Y46 K48 T55	F45-I57 CarbonylContact C-O 3.44Å; F45-I57 VanDerWaalsContact CA-O 3.26Å; F45-I57 WeakPolarHBondContact CA-O 3.16Å; F45-I57 WeakPolarHBondContact CB-O 3.48Å; F45-I57 VanDerWaalsContact CD1-C 3.47Å; Y46-I57 HydrophobicContact CD1-CB 4.32Å; Y46-I57 WeakPolarHBondContact CD1-O 3.35Å; Y46-I57 HydrophobicContact CD2-CB 4.48Å; Y46-I57 HydrophobicContact CE1-CB 3.75Å; Y46-I57 HydrophobicContact CE1-CG2 3.74Å; Y46-I57 HydrophobicContact CE2-CB 3.94Å; Y46-I57 HydrophobicContact CE2-CD1 3.85Å; Y46-I57 HydrophobicContact CE2-CG1 4.35Å; Y46-I57 HydrophobicContact CE2-CG2 4.42Å; Y46-I57 PolarHBondContact N-O 3.24Å; Y46-I57 PolarHBondContact O-N 3.39Å; Y46-I57 WeakPolarHBondContact OH-CG2 3.4Å; K48-I57 HydrophobicContact CB-CD1 4.05Å; T55-I57 HydrophobicContact CG2-CG1 4.18Å
58	P	94.3	Very high	89.7	Confident	24 Å²	24	58.7 Å²	58.7	16%	0.156	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	145.5	177.5	31.5	-38.2	0	0	0	110.5	F45 V203 I205	F45-P58 HydrophobicContact CD1-CB 4.03Å; F45-P58 VanDerWaalsContact CD1-N 3.35Å; F45-P58 HydrophobicContact CE1-CB 3.65Å; F45-P58 HydrophobicContact CE1-CG 4.24Å; F45-P58 HydrophobicContact CE2-CB 4.3Å; F45-P58 HydrophobicContact CG-CB 4.49Å; F45-P58 HydrophobicContact CZ-CB 3.79Å; P58-V203 HydrophobicContact CB-CG1 4.31Å; P58-V203 HydrophobicContact CG-CG1 3.59Å; P58-I205 HydrophobicContact CB-CG1 4.21Å; P58-I205 HydrophobicContact CG-CG1 4.33Å
59	F	95.3	Very high	89.9	Confident	3 Å²	3	62.2 Å²	62.2	1%	0.013	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-67.8	157.8	159.6	-74.5	-85.3	0	0	0	109.9	H43 W44 Y46 D63 L67 T84 V91 V110	H43-F59 PolarHBondContact CE1-O 2.84Å; H43-F59 PolarHBondContact NE2-O 2.83Å; W44-F59 HydrophobicContact CB-CD2 3.72Å; W44-F59 HydrophobicContact CB-CE2 4.35Å; W44-F59 HydrophobicContact CB-CG 4.49Å; W44-F59 WeakPolarHBondContact O-CD2 3.38Å; W44-F59 PolarHBondContact O-N 3.06Å; Y46-F59 HydrophobicContact CD1-CD1 4.31Å; Y46-F59 HydrophobicContact CD1-CD2 4.07Å; Y46-F59 HydrophobicContact CD1-CE1 4.02Å; Y46-F59 AromaticContact CD1-CE2 3.77Å; Y46-F59 HydrophobicContact CD1-CE2 3.77Å; Y46-F59 HydrophobicContact CD1-CG 4.35Å; Y46-F59 AromaticContact CD1-CZ 3.75Å; Y46-F59 HydrophobicContact CD1-CZ 3.75Å; Y46-F59 HydrophobicContact CG-CE2 4.27Å; Y46-F59 HydrophobicContact CG-CZ 4.17Å; F59-D63 HydrophobicContact CB-CB 4.19Å; F59-D63 HydrophobicContact CD1-CB 4.21Å; F59-L67 HydrophobicContact CD1-CD1 4.35Å; F59-L67 HydrophobicContact CD2-CD1 4Å; F59-L67 HydrophobicContact CE1-CD1 4.46Å; F59-L67 HydrophobicContact CE2-CD1 4.12Å; F59-L67 HydrophobicContact CG-CD1 4.11Å; F59-L67 HydrophobicContact CZ-CD1 4.34Å; F59-T84 HydrophobicContact CD1-CG2 4.21Å; F59-T84 HydrophobicContact CE1-CG2 3.89Å; F59-V91 HydrophobicContact CE1-CG2 4.2Å; F59-V91 HydrophobicContact CZ-CG2 3.9Å; F59-V110 HydrophobicContact CE2-CG1 3.92Å; F59-V110 HydrophobicContact CE2-CG2 4.2Å; F59-V110 HydrophobicContact CZ-CG1 4.41Å; F59-V110 HydrophobicContact CZ-CG2 4.03Å
60	N	93.9	Very high	90.3	Very high	25 Å²	25	56.6 Å²	56.6	13%	0.134	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-63.7	163.4	169	63.3	60	0	0	0	110.3	E62 D63 S64 H206	N60-E62 VanDerWaalsContact C-N 3.32Å; N60-E62 PolarHBondContact O-N 3.01Å; N60-E62 PolarHBondContact OD1-N 3.33Å; N60-D63 PolarHBondContact ND2-OD2 3.05Å; N60-D63 PolarHBondContact O-N 3.42Å; N60-D63 VanDerWaalsContact OD1-CB 3.3Å; N60-D63 WeakPolarHBondContact OD1-CB 3.49Å; N60-D63 VanDerWaalsContact OD1-CG 3.28Å; N60-D63 PolarHBondContact OD1-N 2.64Å; N60-D63 PolarHBondContact OD1-OD2 3.49Å; N60-S64 WeakPolarHBondContact O-CB 3.36Å; N60-S64 PolarHBondContact O-N 3.03Å; N60-H206 CarbonylContact C-O 3.54Å; N60-H206 VanDerWaalsContact CA-O 3.25Å; N60-H206 WeakPolarHBondContact CA-O 3.49Å; N60-H206 WeakPolarHBondContact CB-O 3.44Å
61	S	92.8	Very high	90.9	Very high	54 Å²	54	57.2 Å²	57.2	38%	0.378	29%	0.293	S	S	.	.	H	α-helix	trans	-58.8	-42.4	-175.2	-61.2	0	0	0	0	112.7	Q65 I205 H206	S61-Q65 WeakPolarHBondContact O-CB 3.36Å; S61-Q65 PolarHBondContact O-N 2.89Å; S61-I205 WeakPolarHBondContact OG-CG2 3.38Å; S61-H206 PolarHBondContact N-O 3.33Å
62	E	93.6	Very high	91.6	Very high	63 Å²	63	54.7 Å²	54.7	29%	0.294	28%	0.28	S	S	.	.	H	α-helix	trans	-65.8	-47.3	-179.9	-174.1	174.6	-172	0	0	112.8	N60 Q65 Q66 C207	N60-E62 VanDerWaalsContact C-N 3.32Å; N60-E62 PolarHBondContact O-N 3.01Å; N60-E62 PolarHBondContact OD1-N 3.33Å; E62-Q65 PolarHBondContact O-N 3.23Å; E62-Q66 WeakPolarHBondContact O-CG 3.32Å; E62-Q66 PolarHBondContact O-N 2.86Å; E62-C207 WeakPolarHBondContact CB-O 3.33Å; E62-C207 PolarHBondContact N-O 3.23Å
63	D	95.2	Very high	91.9	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.043	26%	0.258	C	S	.	.	H	α-helix	trans	-65.5	-42.1	177.6	-73.1	-20.1	0	0	0	111.2	F59 N60 Q65 Q66 L67 T84 D85	F59-D63 HydrophobicContact CB-CB 4.19Å; F59-D63 HydrophobicContact CD1-CB 4.21Å; N60-D63 PolarHBondContact ND2-OD2 3.05Å; N60-D63 PolarHBondContact O-N 3.42Å; N60-D63 VanDerWaalsContact OD1-CB 3.3Å; N60-D63 WeakPolarHBondContact OD1-CB 3.49Å; N60-D63 VanDerWaalsContact OD1-CG 3.28Å; N60-D63 PolarHBondContact OD1-N 2.64Å; N60-D63 PolarHBondContact OD1-OD2 3.49Å; D63-Q65 VanDerWaalsContact C-N 3.31Å; D63-Q65 PolarHBondContact O-N 3.14Å; D63-Q66 PolarHBondContact O-N 2.9Å; D63-L67 WeakPolarHBondContact O-CB 3.41Å; D63-L67 WeakPolarHBondContact O-CG 3.36Å; D63-L67 PolarHBondContact O-N 3.4Å; D63-T84 HydrophobicContact CB-CG2 4.26Å; D63-D85 PolarHBondContact OD2-N 3.12Å
64	S	95.6	Very high	91.1	Very high	5 Å²	5	50 Å²	50	4%	0.035	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-41	176.6	-169.2	0	0	0	0	111.4	H43 W44 N60 E68	H43-S64 WeakPolarHBondContact CE1-CB 3.46Å; H43-S64 PolarHBondContact CE1-OG 3.35Å; H43-S64 PolarHBondContact ND1-OG 2.66Å; W44-S64 PolarHBondContact N-OG 3.45Å; N60-S64 WeakPolarHBondContact O-CB 3.36Å; N60-S64 PolarHBondContact O-N 3.03Å; S64-E68 WeakPolarHBondContact O-CB 3.37Å; S64-E68 PolarHBondContact O-N 3.01Å
65	Q	94.1	Very high	90.2	Very high	117 Å²	117	51 Å²	51	55%	0.547	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-46.7	173.9	-178.9	178.6	-8.9	0	0	111.9	S61 E62 D63 L67 E68 E69	S61-Q65 WeakPolarHBondContact O-CB 3.36Å; S61-Q65 PolarHBondContact O-N 2.89Å; E62-Q65 PolarHBondContact O-N 3.23Å; D63-Q65 VanDerWaalsContact C-N 3.31Å; D63-Q65 PolarHBondContact O-N 3.14Å; Q65-L67 VanDerWaalsContact C-N 3.31Å; Q65-L67 PolarHBondContact O-N 2.87Å; Q65-E68 PolarHBondContact O-N 3.06Å; Q65-E68 VanDerWaalsContact O-N 3.14Å; Q65-E69 HydrophobicContact CG-CG 4.34Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.39Å; Q65-E69 PolarHBondContact NE2-OE1 3.41Å; Q65-E69 WeakPolarHBondContact O-CB 3.49Å; Q65-E69 WeakPolarHBondContact O-CG 3.37Å; Q65-E69 PolarHBondContact O-N 3.43Å
66	Q	93.6	Very high	89.5	Confident	65 Å²	65	55.3 Å²	55.3	30%	0.304	30%	0.298	S	S	.	.	H	α-helix	trans	-60.4	-41.2	177.7	-74.7	-179	72.7	0	0	112.1	E62 D63 A70 V82	E62-Q66 WeakPolarHBondContact O-CG 3.32Å; E62-Q66 PolarHBondContact O-N 2.86Å; D63-Q66 PolarHBondContact O-N 2.9Å; Q66-A70 WeakPolarHBondContact O-CB 2.79Å; Q66-A70 PolarHBondContact O-N 2.83Å; Q66-V82 HydrophobicContact CB-CG1 4.3Å
67	L	94.8	Very high	88.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-42.3	174.2	-72.3	168.2	0	0	0	111.6	W44 F59 D63 Q65 A70 Y71 V82 T84 V91 L93	W44-L67 HydrophobicContact CB-CD1 3.75Å; W44-L67 HydrophobicContact CD2-CB 3.87Å; W44-L67 HydrophobicContact CD2-CD1 4.18Å; W44-L67 HydrophobicContact CE3-CD1 4.45Å; W44-L67 HydrophobicContact CG-CB 3.82Å; W44-L67 HydrophobicContact CG-CD1 3.88Å; F59-L67 HydrophobicContact CD1-CD1 4.35Å; F59-L67 HydrophobicContact CD2-CD1 4Å; F59-L67 HydrophobicContact CE1-CD1 4.46Å; F59-L67 HydrophobicContact CE2-CD1 4.12Å; F59-L67 HydrophobicContact CG-CD1 4.11Å; F59-L67 HydrophobicContact CZ-CD1 4.34Å; D63-L67 WeakPolarHBondContact O-CB 3.41Å; D63-L67 WeakPolarHBondContact O-CG 3.36Å; D63-L67 PolarHBondContact O-N 3.4Å; Q65-L67 VanDerWaalsContact C-N 3.31Å; Q65-L67 PolarHBondContact O-N 2.87Å; L67-A70 PolarHBondContact O-N 3.14Å; L67-Y71 VanDerWaalsContact O-CB 3.3Å; L67-Y71 WeakPolarHBondContact O-CB 3.37Å; L67-Y71 PolarHBondContact O-N 2.89Å; L67-V82 HydrophobicContact CD2-CB 3.73Å; L67-V82 HydrophobicContact CD2-CG1 3.86Å; L67-V82 HydrophobicContact CD2-CG2 4.13Å; L67-V82 HydrophobicContact CG-CG1 4.29Å; L67-T84 HydrophobicContact CD1-CG2 4.2Å; L67-T84 HydrophobicContact CD2-CG2 4.36Å; L67-T84 HydrophobicContact CG-CG2 4.35Å; L67-V91 HydrophobicContact CD2-CB 3.78Å; L67-V91 HydrophobicContact CD2-CG1 3.67Å; L67-V91 HydrophobicContact CD2-CG2 4.21Å; L67-L93 HydrophobicContact CD2-CD2 3.79Å; L67-L93 HydrophobicContact CD2-CG 4.49Å
68	E	94.9	Very high	87.8	Confident	26 Å²	26	58.8 Å²	58.8	12%	0.121	32%	0.32	C	S	.	.	H	α-helix	trans	-69.9	-42.8	179.6	-172.5	59.5	-160.2	0	0	112.5	P42 W44 S64 Q65 A70 Y71 N72 R112	P42-E68 HydrophobicContact CG-CG 3.97Å; P42-E68 WeakPolarHBondContact CG-OE1 3.39Å; P42-E68 WeakPolarHBondContact CG-OE2 3.41Å; W44-E68 PolarHBondContact NE1-OE2 2.65Å; S64-E68 WeakPolarHBondContact O-CB 3.37Å; S64-E68 PolarHBondContact O-N 3.01Å; Q65-E68 PolarHBondContact O-N 3.06Å; Q65-E68 VanDerWaalsContact O-N 3.14Å; E68-A70 VanDerWaalsContact C-N 3.27Å; E68-A70 PolarHBondContact O-N 2.99Å; E68-Y71 PolarHBondContact O-N 3.4Å; E68-N72 WeakPolarHBondContact CG-ND2 3.3Å; E68-N72 WeakPolarHBondContact O-CB 3.11Å; E68-N72 VanDerWaalsContact O-CG 3.3Å; E68-N72 PolarHBondContact O-N 2.89Å; E68-N72 PolarHBondContact O-ND2 3.24Å; E68-N72 PolarHBondContact OE1-ND2 2.82Å; E68-R112 IonicContact OE1-CZ 2.64Å; E68-R112 IonicContact OE1-NE 3.72Å; E68-R112 PolarHBondContact OE1-NE 3.33Å; E68-R112 IonicContact OE1-NH2 3.75Å; E68-R112 PolarHBondContact OE1-NH2 3.19Å; E68-R112 IonicContact OE2-CZ 2.77Å; E68-R112 IonicContact OE2-NE 3.05Å; E68-R112 PolarHBondContact OE2-NE 2.93Å; E68-R112 IonicContact OE2-NH2 3.27Å
69	E	93.4	Very high	87	Confident	112 Å²	112	61.1 Å²	61.1	52%	0.523	35%	0.348	S	S	.	.	H	α-helix	trans	-60.6	-41	172.4	-72.7	176.8	-170	0	0	111	Q65 N72 S73	Q65-E69 HydrophobicContact CG-CG 4.34Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.39Å; Q65-E69 PolarHBondContact NE2-OE1 3.41Å; Q65-E69 WeakPolarHBondContact O-CB 3.49Å; Q65-E69 WeakPolarHBondContact O-CG 3.37Å; Q65-E69 PolarHBondContact O-N 3.43Å; E69-N72 PolarHBondContact O-N 3.39Å; E69-S73 WeakPolarHBondContact O-CB 3.46Å; E69-S73 PolarHBondContact O-N 2.97Å; E69-S73 VanDerWaalsContact O-N 3.14Å
70	A	92.3	Very high	86.7	Confident	6 Å²	6	64.6 Å²	64.6	5%	0.05	36%	0.362	C	S	.	.	H	α-helix	trans	-67.8	-35.2	176.3	0	0	0	0	0	113.1	Q66 L67 E68 R80 V82 L93	Q66-A70 WeakPolarHBondContact O-CB 2.79Å; Q66-A70 PolarHBondContact O-N 2.83Å; L67-A70 PolarHBondContact O-N 3.14Å; E68-A70 VanDerWaalsContact C-N 3.27Å; E68-A70 PolarHBondContact O-N 2.99Å; A70-R80 VanDerWaalsContact CA-NH2 3.33Å; A70-R80 VanDerWaalsContact CB-CZ 3.46Å; A70-R80 PolarHBondContact O-NH1 3.06Å; A70-V82 HydrophobicContact CB-CG2 3.58Å; A70-L93 HydrophobicContact CB-CD1 3.61Å
71	Y	91.1	Very high	86.6	Confident	81 Å²	81	66.3 Å²	66.3	32%	0.318	37%	0.373	S	S	.	.	H	α-helix	trans	-69.2	-40.9	174	-179.4	-106.4	0	0	0	111.8	W44 L67 E68 S73	W44-Y71 HydrophobicContact CH2-CD2 4.33Å; W44-Y71 HydrophobicContact CH2-CG 4.46Å; W44-Y71 HydrophobicContact CZ2-CD2 4.34Å; W44-Y71 HydrophobicContact CZ2-CG 4.01Å; L67-Y71 VanDerWaalsContact O-CB 3.3Å; L67-Y71 WeakPolarHBondContact O-CB 3.37Å; L67-Y71 PolarHBondContact O-N 2.89Å; E68-Y71 PolarHBondContact O-N 3.4Å; Y71-S73 PolarHBondContact O-N 2.82Å
72	N	90.1	Very high	86.7	Confident	97 Å²	97	64.1 Å²	64.1	52%	0.519	36%	0.357	S	S	.	.	H	α-helix	trans	-80.6	-12.4	-174.7	-71.7	-37.3	0	0	0	114.9	E68 E69 G74	E68-N72 WeakPolarHBondContact CG-ND2 3.3Å; E68-N72 WeakPolarHBondContact O-CB 3.11Å; E68-N72 VanDerWaalsContact O-CG 3.3Å; E68-N72 PolarHBondContact O-N 2.89Å; E68-N72 PolarHBondContact O-ND2 3.24Å; E68-N72 PolarHBondContact OE1-ND2 2.82Å; E69-N72 PolarHBondContact O-N 3.39Å; N72-G74 PolarHBondContact O-N 3.34Å
73	S	84.1	Confident	86.8	Confident	56 Å²	56	63.9 Å²	63.9	39%	0.392	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	9.7	-172.6	104	0	0	0	0	115.6	E69 Y71 K75 R80	E69-S73 WeakPolarHBondContact O-CB 3.46Å; E69-S73 PolarHBondContact O-N 2.97Å; E69-S73 VanDerWaalsContact O-N 3.14Å; Y71-S73 PolarHBondContact O-N 2.82Å; S73-K75 PolarHBondContact O-N 3.29Å; S73-R80 PolarHBondContact OG-NH1 2.93Å
74	G	64.9	Low	86.8	Confident	78 Å²	78	63.5 Å²	63.5	80%	0.804	36%	0.359	S	S	*	.	S	Bend	trans	68.1	7.4	168.6	0	0	0	0	0	116.9	N72	N72-G74 PolarHBondContact O-N 3.34Å
75	K	67.5	Low	86.6	Confident	159 Å²	159	64.6 Å²	64.6	69%	0.691	36%	0.364	S	S	*	.	S	Bend	trans	-92.5	151.7	170.9	-67	-178.9	-179.4	177.2	0	109.1	S73 C77	S73-K75 PolarHBondContact O-N 3.29Å; K75-C77 PolarHBondContact O-N 3.45Å
76	D	74.1	Confident	86.4	Confident	115 Å²	115	60 Å²	60	62%	0.615	35%	0.348	S	S	*	.			trans	-49.9	126.3	174.4	-171.9	0.6	0	0	0	109.5	N78	D76-N78 PolarHBondContact O-N 2.97Å; D76-N78 WeakPolarHBondContact OD1-CB 3.38Å; D76-N78 PolarHBondContact OD1-N 2.78Å; D76-N78 PolarHBondContact OD1-ND2 3.25Å; D76-N78 WeakPolarHBondContact OD2-CB 3.45Å; D76-N78 PolarHBondContact OD2-ND2 3.01Å
77	C	74.1	Confident	86.3	Confident	25 Å²	25	57.6 Å²	57.6	17%	0.169	34%	0.341	C	S	.	.			trans	-70.3	-14.7	179.2	-69.4	0	0	0	0	111.6	K75 G79 R80 L93 G94	K75-C77 PolarHBondContact O-N 3.45Å; C77-G79 PolarHBondContact O-N 2.87Å; C77-R80 PolarHBondContact O-N 3.26Å; C77-R80 VanDerWaalsContact O-N 3.15Å; C77-L93 HydrophobicContact CB-CB 4.4Å; C77-G94 WeakPolarHBondContact O-CA 3.35Å; C77-G94 PolarHBondContact O-N 2.81Å; C77-G94 VanDerWaalsContact O-N 3.1Å
78	N	73.8	Confident	86.3	Confident	115 Å²	115	57.8 Å²	57.8	62%	0.615	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	124.7	175.7	-69.5	-36	0	0	0	111.3	D76 R80	D76-N78 PolarHBondContact O-N 2.97Å; D76-N78 WeakPolarHBondContact OD1-CB 3.38Å; D76-N78 PolarHBondContact OD1-N 2.78Å; D76-N78 PolarHBondContact OD1-ND2 3.25Å; D76-N78 WeakPolarHBondContact OD2-CB 3.45Å; D76-N78 PolarHBondContact OD2-ND2 3.01Å; N78-R80 PolarHBondContact O-N 3.33Å
79	G	77.8	Confident	86.3	Confident	73 Å²	73	57.2 Å²	57.2	75%	0.753	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	2.7	-178.7	0	0	0	0	0	115	C77 V81	C77-G79 PolarHBondContact O-N 2.87Å; G79-V81 PolarHBondContact O-N 3.41Å
80	R	88.1	Confident	86.4	Confident	77 Å²	77	53 Å²	53	29%	0.291	32%	0.32	S	S	.	.			trans	-80.4	118.7	174	-170.1	170.6	-171.7	159.6	4.1	110.5	A70 S73 C77 N78 L93	A70-R80 VanDerWaalsContact CA-NH2 3.33Å; A70-R80 VanDerWaalsContact CB-CZ 3.46Å; A70-R80 PolarHBondContact O-NH1 3.06Å; S73-R80 PolarHBondContact OG-NH1 2.93Å; C77-R80 PolarHBondContact O-N 3.26Å; C77-R80 VanDerWaalsContact O-N 3.15Å; N78-R80 PolarHBondContact O-N 3.33Å; R80-L93 HydrophobicContact CB-CD1 4.49Å; R80-L93 HydrophobicContact CG-CD1 4.09Å; R80-L93 PolarHBondContact O-N 3.38Å
81	V	93.6	Very high	86.7	Confident	60 Å²	60	52.8 Å²	52.8	36%	0.364	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.5	177.8	-176	0	0	0	0	109.1	G79 D90 V91	G79-V81 PolarHBondContact O-N 3.41Å; V81-D90 HydrophobicContact CG1-CB 3.52Å; V81-V91 WeakPolarHBondContact CA-O 3.47Å
82	V	94.7	Very high	86.9	Confident	9 Å²	9	51.4 Å²	51.4	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.7	175.3	-178.9	0	0	0	0	108.4	Q66 L67 A70 V91 L93	Q66-V82 HydrophobicContact CB-CG1 4.3Å; L67-V82 HydrophobicContact CD2-CB 3.73Å; L67-V82 HydrophobicContact CD2-CG1 3.86Å; L67-V82 HydrophobicContact CD2-CG2 4.13Å; L67-V82 HydrophobicContact CG-CG1 4.29Å; A70-V82 HydrophobicContact CB-CG2 3.58Å; V82-V91 PolarHBondContact N-O 2.79Å; V82-V91 PolarHBondContact O-N 2.91Å; V82-L93 HydrophobicContact CG2-CD1 3.73Å; V82-L93 HydrophobicContact CG2-CG 4.18Å
83	P	94.6	Very high	87	Confident	57 Å²	57	46.8 Å²	46.8	37%	0.37	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134	173.8	28.5	-32.6	0	0	0	109.9	Y89	P83-Y89 CarbonylContact C-O 3.48Å; P83-Y89 WeakPolarHBondContact CA-O 3.45Å
84	T	94.4	Very high	87.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	168.7	176	68.5	0	0	0	0	110.7	F59 D63 L67 G86 G87 R88 Y89 V91	F59-T84 HydrophobicContact CD1-CG2 4.21Å; F59-T84 HydrophobicContact CE1-CG2 3.89Å; D63-T84 HydrophobicContact CB-CG2 4.26Å; L67-T84 HydrophobicContact CD1-CG2 4.2Å; L67-T84 HydrophobicContact CD2-CG2 4.36Å; L67-T84 HydrophobicContact CG-CG2 4.35Å; T84-G86 VanDerWaalsContact C-N 3.34Å; T84-G86 PolarHBondContact O-N 3.28Å; T84-G87 PolarHBondContact O-N 3.39Å; T84-R88 PolarHBondContact O-N 3.06Å; T84-Y89 PolarHBondContact N-O 3.14Å; T84-Y89 PolarHBondContact O-N 2.85Å; T84-V91 HydrophobicContact CG2-CB 4.38Å; T84-V91 HydrophobicContact CG2-CG2 3.59Å
85	D	92	Very high	88.5	Confident	28 Å²	28	47.8 Å²	47.8	15%	0.15	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	53.2	53.1	179	-49.8	-118.9	0	0	0	110.2	D63 G87 R88 Y89 R98	D63-D85 PolarHBondContact OD2-N 3.12Å; D85-G87 PolarHBondContact O-N 2.78Å; D85-R88 WeakPolarHBondContact O-CB 3.43Å; D85-R88 PolarHBondContact O-N 3.43Å; D85-R88 PolarHBondContact O-NE 3.4Å; D85-R88 PolarHBondContact O-NH2 2.92Å; D85-Y89 HydrophobicContact CB-CD2 4Å; D85-R98 IonicContact OD1-CZ 2.82Å; D85-R98 IonicContact OD1-NH1 2.7Å; D85-R98 IonicContact OD1-NH2 3.2Å; D85-R98 PolarHBondContact OD1-NH2 3.2Å; D85-R98 IonicContact OD2-CZ 2.75Å; D85-R98 VanDerWaalsContact OD2-CZ 3.26Å; D85-R98 IonicContact OD2-NE 3.39Å; D85-R98 IonicContact OD2-NH1 3.15Å; D85-R98 IonicContact OD2-NH2 3.54Å; D85-R98 PolarHBondContact OD2-NH2 2.93Å
86	G	89.4	Confident	89.8	Confident	21 Å²	21	42.4 Å²	42.4	22%	0.216	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	64.9	19.7	-179	0	0	0	0	0	114.7	T84 R264	T84-G86 VanDerWaalsContact C-N 3.34Å; T84-G86 PolarHBondContact O-N 3.28Å; G86-R264 PolarHBondContact O-NH2 2.86Å
87	G	91.9	Very high	90.8	Very high	14 Å²	14	39.1 Å²	39.1	14%	0.144	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	89.9	10.9	178.5	0	0	0	0	0	114.9	T84 D85 R337	T84-G87 PolarHBondContact O-N 3.39Å; D85-G87 PolarHBondContact O-N 2.78Å; G87-R337 PolarHBondContact O-NH2 2.8Å
88	R	94.6	Very high	91.9	Very high	5 Å²	5	38.4 Å²	38.4	2%	0.019	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-20.9	176.6	-66.8	176.3	-70.8	-98.6	0.9	113.2	T84 D85 V101 Y102 W103 E209 E266 L268	T84-R88 PolarHBondContact O-N 3.06Å; D85-R88 WeakPolarHBondContact O-CB 3.43Å; D85-R88 PolarHBondContact O-N 3.43Å; D85-R88 PolarHBondContact O-NE 3.4Å; D85-R88 PolarHBondContact O-NH2 2.92Å; R88-V101 WeakPolarHBondContact O-CB 3.48Å; R88-V101 PolarHBondContact O-N 3.15Å; R88-Y102 HydrophobicContact CB-CD2 4.36Å; R88-Y102 HydrophobicContact CB-CE2 4.47Å; R88-Y102 HydrophobicContact CG-CD2 4.2Å; R88-Y102 HydrophobicContact CG-CE2 4.13Å; R88-W103 HydrophobicContact CB-CH2 3.98Å; R88-W103 HydrophobicContact CB-CZ3 4.48Å; R88-W103 HydrophobicContact CG-CH2 4.41Å; R88-E209 IonicContact CZ-OE1 3.85Å; R88-E209 IonicContact CZ-OE2 3.35Å; R88-E209 VanDerWaalsContact CZ-OE2 3.32Å; R88-E209 IonicContact NH1-OE2 2.81Å; R88-E209 PolarHBondContact NH1-OE2 3.36Å; R88-E209 IonicContact NH2-OE1 3.52Å; R88-E209 PolarHBondContact NH2-OE1 3.49Å; R88-E209 IonicContact NH2-OE2 3.59Å; R88-E209 PolarHBondContact NH2-OE2 3.41Å; R88-E266 VanDerWaalsContact CD-OE1 3.27Å; R88-E266 WeakPolarHBondContact CD-OE1 3.2Å; R88-E266 IonicContact CZ-OE1 3.75Å; R88-E266 IonicContact NE-OE1 3.62Å; R88-E266 IonicContact NH1-OE1 3.06Å; R88-E266 PolarHBondContact NH1-OE1 3.29Å; R88-E266 IonicContact NH1-OE2 3.59Å; R88-E266 PolarHBondContact NH1-OE2 3.05Å; R88-L268 HydrophobicContact CG-CD2 4.4Å
89	Y	95.7	Very high	92.9	Very high	13 Å²	13	36.7 Å²	36.7	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151	177.5	-69.9	-95.4	0	0	0	110.6	P83 T84 D85 R98 Y99 A100 W103 E105	P83-Y89 CarbonylContact C-O 3.48Å; P83-Y89 WeakPolarHBondContact CA-O 3.45Å; T84-Y89 PolarHBondContact N-O 3.14Å; T84-Y89 PolarHBondContact O-N 2.85Å; D85-Y89 HydrophobicContact CB-CD2 4Å; Y89-R98 HydrophobicContact CD1-CG 3.83Å; Y89-R98 HydrophobicContact CG-CG 4.24Å; Y89-R98 VanDerWaalsContact CG-NH2 3.27Å; Y89-Y99 CarbonylContact C-O 3.56Å; Y89-Y99 VanDerWaalsContact CA-O 3.25Å; Y89-Y99 WeakPolarHBondContact CA-O 3.37Å; Y89-Y99 WeakPolarHBondContact CD1-O 3.37Å; Y89-A100 HydrophobicContact CD1-CB 3.97Å; Y89-A100 HydrophobicContact CE1-CB 3.71Å; Y89-W103 HydrophobicContact CD2-CZ2 4.5Å; Y89-W103 HydrophobicContact CE1-CZ2 4.31Å; Y89-W103 HydrophobicContact CE2-CH2 4.09Å; Y89-W103 AromaticContact CE2-CZ2 3.59Å; Y89-W103 HydrophobicContact CE2-CZ2 3.59Å; Y89-W103 AromaticContact CZ-CZ2 3.49Å; Y89-W103 VanDerWaalsContact CZ-CZ2 3.49Å; Y89-W103 WeakPolarHBondContact OH-CZ2 3.27Å; Y89-E105 WeakPolarHBondContact CE1-OE2 3.41Å; Y89-E105 PolarHBondContact OH-OE2 3.1Å
90	D	96.4	Very high	93.8	Very high	25 Å²	25	34.2 Å²	34.2	13%	0.134	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.2	177.1	-84	-17.1	0	0	0	109.1	V81 R98 Y99 V101 R337	V81-D90 HydrophobicContact CG1-CB 3.52Å; D90-R98 CarbonylContact O-C 3.22Å; D90-R98 WeakPolarHBondContact O-CA 3.45Å; D90-Y99 PolarHBondContact N-O 3.29Å; D90-Y99 PolarHBondContact O-N 3.01Å; D90-V101 HydrophobicContact CB-CG2 4.12Å; D90-V101 WeakPolarHBondContact OD2-CG2 3.44Å; D90-R337 IonicContact OD1-CZ 3.76Å; D90-R337 IonicContact OD1-NH1 3.45Å; D90-R337 IonicContact OD1-NH2 3.78Å; D90-R337 PolarHBondContact OD1-NH2 2.95Å; D90-R337 IonicContact OD2-CZ 2.87Å; D90-R337 IonicContact OD2-NH1 2.81Å; D90-R337 PolarHBondContact OD2-NH1 3.05Å; D90-R337 IonicContact OD2-NH2 3.71Å; D90-R337 PolarHBondContact OD2-NH2 2.81Å
91	V	96.9	Very high	94.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116	174.7	177.1	0	0	0	0	109.2	F59 L67 V81 V82 T84 L93 M97 R98 V110	F59-V91 HydrophobicContact CE1-CG2 4.2Å; F59-V91 HydrophobicContact CZ-CG2 3.9Å; L67-V91 HydrophobicContact CD2-CB 3.78Å; L67-V91 HydrophobicContact CD2-CG1 3.67Å; L67-V91 HydrophobicContact CD2-CG2 4.21Å; V81-V91 WeakPolarHBondContact CA-O 3.47Å; V82-V91 PolarHBondContact N-O 2.79Å; V82-V91 PolarHBondContact O-N 2.91Å; T84-V91 HydrophobicContact CG2-CB 4.38Å; T84-V91 HydrophobicContact CG2-CG2 3.59Å; V91-L93 HydrophobicContact CG1-CD2 4.25Å; V91-L93 PolarHBondContact O-N 2.84Å; V91-M97 WeakPolarHBondContact CA-O 3.34Å; V91-R98 HydrophobicContact CG2-CB 4.15Å; V91-R98 HydrophobicContact CG2-CG 4.2Å; V91-V110 HydrophobicContact CG1-CB 4.28Å; V91-V110 HydrophobicContact CG1-CG1 3.98Å; V91-V110 HydrophobicContact CG1-CG2 4.08Å; V91-V110 HydrophobicContact CG2-CG2 4.22Å
92	H	95.4	Very high	94.1	Very high	52 Å²	52	29 Å²	29	24%	0.241	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	99.9	173.8	-72.8	-132.2	0	0	0	108.3	G94 E95 R96 M97 Y99	H92-G94 VanDerWaalsContact C-N 3.35Å; H92-G94 PolarHBondContact O-N 2.76Å; H92-E95 HydrophobicContact CB-CB 4.29Å; H92-E95 PolarHBondContact O-N 3.49Å; H92-R96 PolarHBondContact O-N 3.09Å; H92-M97 PolarHBondContact N-O 2.92Å; H92-M97 PolarHBondContact O-N 2.79Å; H92-Y99 HydrophobicContact CB-CE2 4.16Å; H92-Y99 AromaticContact CD2-CD2 3.48Å; H92-Y99 VanDerWaalsContact CD2-CD2 3.48Å; H92-Y99 WeakPolarHBondContact CD2-CD2 3.29Å; H92-Y99 AromaticContact CD2-CE2 3.79Å; H92-Y99 AromaticContact CG-CD2 4Å; H92-Y99 AromaticContact CG-CE2 3.81Å; H92-Y99 AromaticContact NE2-CD2 3.81Å
93	L	92.2	Very high	94	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-40.6	-171.8	-75.9	174.8	0	0	0	112.4	W44 L67 A70 C77 R80 V82 V91 E95 R96	W44-L93 HydrophobicContact CH2-CD2 3.69Å; W44-L93 HydrophobicContact CZ2-CD2 4.29Å; W44-L93 HydrophobicContact CZ3-CD2 3.98Å; L67-L93 HydrophobicContact CD2-CD2 3.79Å; L67-L93 HydrophobicContact CD2-CG 4.49Å; A70-L93 HydrophobicContact CB-CD1 3.61Å; C77-L93 HydrophobicContact CB-CB 4.4Å; R80-L93 HydrophobicContact CB-CD1 4.49Å; R80-L93 HydrophobicContact CG-CD1 4.09Å; R80-L93 PolarHBondContact O-N 3.38Å; V82-L93 HydrophobicContact CG2-CD1 3.73Å; V82-L93 HydrophobicContact CG2-CG 4.18Å; V91-L93 HydrophobicContact CG1-CD2 4.25Å; V91-L93 PolarHBondContact O-N 2.84Å; L93-E95 VanDerWaalsContact C-N 3.33Å; L93-E95 PolarHBondContact O-N 2.81Å; L93-R96 PolarHBondContact O-N 3.31Å; L93-R96 PolarHBondContact O-NH1 2.75Å
94	G	89.4	Confident	93.7	Very high	33 Å²	33	32.9 Å²	32.9	34%	0.34	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-38.7	178.9	0	0	0	0	0	113.6	C77 H92	C77-G94 WeakPolarHBondContact O-CA 3.35Å; C77-G94 PolarHBondContact O-N 2.81Å; C77-G94 VanDerWaalsContact O-N 3.1Å; H92-G94 VanDerWaalsContact C-N 3.35Å; H92-G94 PolarHBondContact O-N 2.76Å
95	E	92.4	Very high	93.4	Very high	123 Å²	123	35.9 Å²	35.9	58%	0.575	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-14.9	-178.6	-67	175.8	-142.2	0	0	113.1	H92 L93 M97 Y99	H92-E95 HydrophobicContact CB-CB 4.29Å; H92-E95 PolarHBondContact O-N 3.49Å; L93-E95 VanDerWaalsContact C-N 3.33Å; L93-E95 PolarHBondContact O-N 2.81Å; E95-M97 VanDerWaalsContact C-N 3.26Å; E95-M97 HydrophobicContact CB-CB 4.28Å; E95-M97 HydrophobicContact CB-CG 4.13Å; E95-M97 PolarHBondContact O-N 3.24Å; E95-Y99 PolarHBondContact OE2-OH 2.89Å; E95-Y99 VanDerWaalsContact OE2-OH 3.13Å
96	R	93.9	Very high	93.3	Very high	45 Å²	45	42.1 Å²	42.1	17%	0.17	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	41	-171.5	-66.2	-62.2	-162.9	-100.5	-0.7	112.1	H92 L93 V110 E130	H92-R96 PolarHBondContact O-N 3.09Å; L93-R96 PolarHBondContact O-N 3.31Å; L93-R96 PolarHBondContact O-NH1 2.75Å; R96-V110 WeakPolarHBondContact CB-O 3.43Å; R96-V110 PolarHBondContact O-N 2.92Å; R96-E130 IonicContact CZ-OE1 3.45Å; R96-E130 IonicContact CZ-OE2 3.53Å; R96-E130 IonicContact NE-OE1 3.5Å; R96-E130 PolarHBondContact NE-OE1 3.47Å; R96-E130 IonicContact NE-OE2 3.9Å; R96-E130 PolarHBondContact NE-OE2 3.34Å; R96-E130 IonicContact NH2-OE1 2.64Å; R96-E130 IonicContact NH2-OE2 3.45Å; R96-E130 PolarHBondContact NH2-OE2 3.45Å
97	M	95.8	Very high	93.5	Very high	47 Å²	47	43 Å²	43	23%	0.232	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.6	-178.7	-64.7	-59.2	-66.6	0	0	111.6	V91 H92 E95 Y99 A107 S108 E109	V91-M97 WeakPolarHBondContact CA-O 3.34Å; H92-M97 PolarHBondContact N-O 2.92Å; H92-M97 PolarHBondContact O-N 2.79Å; E95-M97 VanDerWaalsContact C-N 3.26Å; E95-M97 HydrophobicContact CB-CB 4.28Å; E95-M97 HydrophobicContact CB-CG 4.13Å; E95-M97 PolarHBondContact O-N 3.24Å; M97-Y99 HydrophobicContact CB-CE2 3.58Å; M97-A107 HydrophobicContact CE-CB 3.47Å; M97-A107 VanDerWaalsContact CE-CB 3.47Å; M97-A107 WeakPolarHBondContact CE-O 3.27Å; M97-S108 CarbonylContact C-O 3.34Å; M97-S108 WeakPolarHBondContact CA-O 3.33Å; M97-E109 HydrophobicContact SD-CB 4.41Å
98	R	95.9	Very high	93.7	Very high	10 Å²	10	43.2 Å²	43.2	4%	0.038	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132	175.4	174.7	-177.3	166.7	177.2	5.9	109.9	Y46 D85 Y89 D90 V91 A107 S108 V110	Y46-R98 VanDerWaalsContact CD2-NH1 3.33Å; Y46-R98 VanDerWaalsContact CG-NH1 3.34Å; D85-R98 IonicContact OD1-CZ 2.82Å; D85-R98 IonicContact OD1-NH1 2.7Å; D85-R98 IonicContact OD1-NH2 3.2Å; D85-R98 PolarHBondContact OD1-NH2 3.2Å; D85-R98 IonicContact OD2-CZ 2.75Å; D85-R98 VanDerWaalsContact OD2-CZ 3.26Å; D85-R98 IonicContact OD2-NE 3.39Å; D85-R98 IonicContact OD2-NH1 3.15Å; D85-R98 IonicContact OD2-NH2 3.54Å; D85-R98 PolarHBondContact OD2-NH2 2.93Å; Y89-R98 HydrophobicContact CD1-CG 3.83Å; Y89-R98 HydrophobicContact CG-CG 4.24Å; Y89-R98 VanDerWaalsContact CG-NH2 3.27Å; D90-R98 CarbonylContact O-C 3.22Å; D90-R98 WeakPolarHBondContact O-CA 3.45Å; V91-R98 HydrophobicContact CG2-CB 4.15Å; V91-R98 HydrophobicContact CG2-CG 4.2Å; R98-A107 VanDerWaalsContact O-CA 3.28Å; R98-A107 WeakPolarHBondContact O-CA 3.42Å; R98-S108 PolarHBondContact N-O 2.99Å; R98-S108 PolarHBondContact O-N 3.33Å; R98-V110 HydrophobicContact CB-CG2 3.55Å
99	Y	96.1	Very high	93.7	Very high	78 Å²	78	46.5 Å²	46.5	31%	0.306	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.4	179.5	-59.6	-91.1	0	0	0	110.6	Y89 D90 H92 E95 M97 A107	Y89-Y99 CarbonylContact C-O 3.56Å; Y89-Y99 VanDerWaalsContact CA-O 3.25Å; Y89-Y99 WeakPolarHBondContact CA-O 3.37Å; Y89-Y99 WeakPolarHBondContact CD1-O 3.37Å; D90-Y99 PolarHBondContact N-O 3.29Å; D90-Y99 PolarHBondContact O-N 3.01Å; H92-Y99 HydrophobicContact CB-CE2 4.16Å; H92-Y99 AromaticContact CD2-CD2 3.48Å; H92-Y99 VanDerWaalsContact CD2-CD2 3.48Å; H92-Y99 WeakPolarHBondContact CD2-CD2 3.29Å; H92-Y99 AromaticContact CD2-CE2 3.79Å; H92-Y99 AromaticContact CG-CD2 4Å; H92-Y99 AromaticContact CG-CE2 3.81Å; H92-Y99 AromaticContact NE2-CD2 3.81Å; E95-Y99 PolarHBondContact OE2-OH 2.89Å; E95-Y99 VanDerWaalsContact OE2-OH 3.13Å; M97-Y99 HydrophobicContact CB-CE2 3.58Å; Y99-A107 HydrophobicContact CD1-CB 3.68Å; Y99-A107 HydrophobicContact CE1-CB 3.4Å; Y99-A107 HydrophobicContact CG-CB 4.46Å
100	A	95.6	Very high	93.7	Very high	22 Å²	22	45.9 Å²	45.9	18%	0.182	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	139.9	169.5	0	0	0	0	0	109.9	Y89 W103 E105	Y89-A100 HydrophobicContact CD1-CB 3.97Å; Y89-A100 HydrophobicContact CE1-CB 3.71Å; A100-W103 HydrophobicContact CB-CD2 4.34Å; A100-W103 HydrophobicContact CB-CG 4.26Å; A100-W103 HydrophobicContact CB-CZ2 4.5Å; A100-W103 VanDerWaalsContact CB-O 3.23Å; A100-W103 WeakPolarHBondContact CB-O 3.47Å; A100-E105 HydrophobicContact CB-CB 3.82Å
101	V	95.3	Very high	93.7	Very high	23 Å²	23	46.6 Å²	46.6	14%	0.139	24%	0.242	C	C	.	.	S	Bend	trans	-92.4	-44.7	-175.7	174.9	0	0	0	0	111.5	R88 D90 L333	R88-V101 WeakPolarHBondContact O-CB 3.48Å; R88-V101 PolarHBondContact O-N 3.15Å; D90-V101 HydrophobicContact CB-CG2 4.12Å; D90-V101 WeakPolarHBondContact OD2-CG2 3.44Å; V101-L333 HydrophobicContact CG1-CD2 3.81Å; V101-L333 HydrophobicContact CG1-CG 4.24Å; V101-L333 VanDerWaalsContact O-CD2 3.32Å; V101-L333 WeakPolarHBondContact O-CD2 3.49Å
102	Y	94	Very high	93.6	Very high	5 Å²	5	49.4 Å²	49.4	2%	0.02	25%	0.253	C	S	.	.	S	Bend	trans	-94.9	-17.7	-170.1	-61.2	-67.2	0	0	0	114	R88 L268 R329 I330 L333 F334	R88-Y102 HydrophobicContact CB-CD2 4.36Å; R88-Y102 HydrophobicContact CB-CE2 4.47Å; R88-Y102 HydrophobicContact CG-CD2 4.2Å; R88-Y102 HydrophobicContact CG-CE2 4.13Å; Y102-L268 HydrophobicContact CD1-CD1 4.12Å; Y102-L268 HydrophobicContact CD2-CD1 4.33Å; Y102-L268 HydrophobicContact CD2-CD2 3.69Å; Y102-L268 HydrophobicContact CE1-CD1 4.17Å; Y102-L268 HydrophobicContact CE2-CD1 4.38Å; Y102-L268 HydrophobicContact CE2-CD2 3.97Å; Y102-L268 HydrophobicContact CG-CD1 4.2Å; Y102-L268 HydrophobicContact CG-CD2 4.16Å; Y102-R329 PolarHBondContact O-NH2 3.05Å; Y102-I330 HydrophobicContact CD1-CG2 3.72Å; Y102-I330 HydrophobicContact CE1-CG2 4.47Å; Y102-I330 HydrophobicContact CG-CG2 4.25Å; Y102-L333 HydrophobicContact CD1-CD2 3.93Å; Y102-L333 HydrophobicContact CD1-CG 4.23Å; Y102-L333 HydrophobicContact CE1-CB 4.41Å; Y102-L333 HydrophobicContact CE1-CD2 4.22Å; Y102-L333 HydrophobicContact CE1-CG 4.03Å; Y102-F334 HydrophobicContact CE1-CB 4.07Å
103	W	92.1	Very high	93.5	Very high	7 Å²	7	46.9 Å²	46.9	3%	0.027	24%	0.242	C	C	.	.	S	Bend	trans	-139	162.3	-179.6	57.2	85.1	0	0	0	110.8	R88 Y89 A100 E105 V235 P269	R88-W103 HydrophobicContact CB-CH2 3.98Å; R88-W103 HydrophobicContact CB-CZ3 4.48Å; R88-W103 HydrophobicContact CG-CH2 4.41Å; Y89-W103 HydrophobicContact CD2-CZ2 4.5Å; Y89-W103 HydrophobicContact CE1-CZ2 4.31Å; Y89-W103 HydrophobicContact CE2-CH2 4.09Å; Y89-W103 AromaticContact CE2-CZ2 3.59Å; Y89-W103 HydrophobicContact CE2-CZ2 3.59Å; Y89-W103 AromaticContact CZ-CZ2 3.49Å; Y89-W103 VanDerWaalsContact CZ-CZ2 3.49Å; Y89-W103 WeakPolarHBondContact OH-CZ2 3.27Å; A100-W103 HydrophobicContact CB-CD2 4.34Å; A100-W103 HydrophobicContact CB-CG 4.26Å; A100-W103 HydrophobicContact CB-CZ2 4.5Å; A100-W103 VanDerWaalsContact CB-O 3.23Å; A100-W103 WeakPolarHBondContact CB-O 3.47Å; W103-E105 PolarHBondContact NE1-OE2 3.33Å; W103-E105 PolarHBondContact O-N 3.46Å; W103-V235 HydrophobicContact CB-CG2 4.48Å; W103-V235 HydrophobicContact CD2-CG1 4.21Å; W103-V235 HydrophobicContact CD2-CG2 4.01Å; W103-V235 HydrophobicContact CG-CG2 3.84Å; W103-V235 HydrophobicContact CH2-CG1 4.3Å; W103-V235 HydrophobicContact CZ2-CG1 3.56Å; W103-P269 HydrophobicContact CD2-CG 4.32Å; W103-P269 HydrophobicContact CE3-CG 3.7Å; W103-P269 HydrophobicContact CZ3-CG 3.99Å
104	D	87.8	Confident	93.6	Very high	139 Å²	139	47.5 Å²	47.5	74%	0.743	25%	0.245	S	C	*	.			trans	-77.9	120.5	173.5	-61.1	-35.3	0	0	0	110.3
105	E	88.4	Confident	93.9	Very high	63 Å²	63	46 Å²	46	29%	0.294	23%	0.229	S	C	.	.			trans	-142.3	148.9	173.2	-171.1	169.5	-176.3	0	0	108.4	K48 Y89 A100 W103 A107	K48-E105 IonicContact NZ-OE1 3.65Å; K48-E105 PolarHBondContact NZ-OE1 3.05Å; Y89-E105 WeakPolarHBondContact CE1-OE2 3.41Å; Y89-E105 PolarHBondContact OH-OE2 3.1Å; A100-E105 HydrophobicContact CB-CB 3.82Å; W103-E105 PolarHBondContact NE1-OE2 3.33Å; W103-E105 PolarHBondContact O-N 3.46Å; E105-A107 PolarHBondContact O-N 3.07Å
106	L	90	Very high	93.9	Very high	160 Å²	160	40.1 Å²	40.1	84%	0.838	20%	0.202	S	C	*	.	P	Polyproline II helix	trans	-63.6	135.9	172.9	-69.1	174.8	0	0	0	109.7	S108	L106-S108 PolarHBondContact O-N 3.3Å
107	A	94.1	Very high	93.8	Very high	39 Å²	39	40.4 Å²	40.4	32%	0.322	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-62.2	135.7	179.6	0	0	0	0	0	110.9	M97 R98 Y99 E105	M97-A107 HydrophobicContact CE-CB 3.47Å; M97-A107 VanDerWaalsContact CE-CB 3.47Å; M97-A107 WeakPolarHBondContact CE-O 3.27Å; R98-A107 VanDerWaalsContact O-CA 3.28Å; R98-A107 WeakPolarHBondContact O-CA 3.42Å; Y99-A107 HydrophobicContact CD1-CB 3.68Å; Y99-A107 HydrophobicContact CE1-CB 3.4Å; Y99-A107 HydrophobicContact CG-CB 4.46Å; E105-A107 PolarHBondContact O-N 3.07Å
108	S	94.7	Very high	93.4	Very high	18 Å²	18	41.2 Å²	41.2	13%	0.126	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.5	-179.1	-84.8	0	0	0	0	110.9	C47 M97 R98 L106	C47-S108 WeakPolarHBondContact O-CB 3.33Å; C47-S108 PolarHBondContact O-OG 3.11Å; M97-S108 CarbonylContact C-O 3.34Å; M97-S108 WeakPolarHBondContact CA-O 3.33Å; R98-S108 PolarHBondContact N-O 2.99Å; R98-S108 PolarHBondContact O-N 3.33Å; L106-S108 PolarHBondContact O-N 3.3Å
109	E	95.4	Very high	92.7	Very high	74 Å²	74	41.7 Å²	41.7	35%	0.346	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	138.4	170.8	-168.4	-168.3	154.8	0	0	109.9	Y46 C47 W56 M97 R111	Y46-E109 CarbonylContact C-O 3.6Å; Y46-E109 WeakPolarHBondContact CA-O 3.39Å; C47-E109 HydrophobicContact CB-CB 4.17Å; C47-E109 PolarHBondContact N-O 3.22Å; W56-E109 HydrophobicContact CH2-CB 4.36Å; W56-E109 HydrophobicContact CH2-CG 4.15Å; M97-E109 HydrophobicContact SD-CB 4.41Å; E109-R111 IonicContact OE1-CZ 3.46Å; E109-R111 IonicContact OE1-NE 2.83Å; E109-R111 PolarHBondContact OE1-NE 3.19Å; E109-R111 IonicContact OE1-NH2 2.79Å; E109-R111 PolarHBondContact OE1-NH2 3.15Å; E109-R111 IonicContact OE2-NH2 2.7Å; E109-R111 PolarHBondContact OE2-NH2 3.37Å
110	V	96.3	Very high	91.5	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.2	174.9	172.6	0	0	0	0	109.1	W44 F45 F59 V91 R96 R98	W44-V110 HydrophobicContact CE3-CG1 3.54Å; W44-V110 HydrophobicContact CZ3-CG1 3.9Å; F45-V110 CarbonylContact O-C 3.33Å; F45-V110 WeakPolarHBondContact O-CA 3.3Å; F59-V110 HydrophobicContact CE2-CG1 3.92Å; F59-V110 HydrophobicContact CE2-CG2 4.2Å; F59-V110 HydrophobicContact CZ-CG1 4.41Å; F59-V110 HydrophobicContact CZ-CG2 4.03Å; V91-V110 HydrophobicContact CG1-CB 4.28Å; V91-V110 HydrophobicContact CG1-CG1 3.98Å; V91-V110 HydrophobicContact CG1-CG2 4.08Å; V91-V110 HydrophobicContact CG2-CG2 4.22Å; R96-V110 WeakPolarHBondContact CB-O 3.43Å; R96-V110 PolarHBondContact O-N 2.92Å; R98-V110 HydrophobicContact CB-CG2 3.55Å
111	R	95.1	Very high	90.3	Very high	39 Å²	39	50.3 Å²	50.3	15%	0.147	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	134	-175.8	-167.4	175.8	-67.1	169.8	0.8	112	F45 W56 E109 C113 P127 Y128 E130	F45-R111 PolarHBondContact N-O 3.47Å; F45-R111 PolarHBondContact O-N 2.97Å; W56-R111 HydrophobicContact CE3-CB 4.4Å; W56-R111 HydrophobicContact CH2-CB 3.8Å; W56-R111 VanDerWaalsContact CZ2-NH2 3.31Å; W56-R111 HydrophobicContact CZ3-CB 3.46Å; W56-R111 VanDerWaalsContact CZ3-CB 3.46Å; E109-R111 IonicContact OE1-CZ 3.46Å; E109-R111 IonicContact OE1-NE 2.83Å; E109-R111 PolarHBondContact OE1-NE 3.19Å; E109-R111 IonicContact OE1-NH2 2.79Å; E109-R111 PolarHBondContact OE1-NH2 3.15Å; E109-R111 IonicContact OE2-NH2 2.7Å; E109-R111 PolarHBondContact OE2-NH2 3.37Å; R111-C113 PolarHBondContact O-N 2.83Å; R111-C113 PolarHBondContact O-SG 3.31Å; R111-P127 PolarHBondContact NH1-O 3.36Å; R111-Y128 WeakPolarHBondContact CD-O 3.44Å; R111-E130 HydrophobicContact CG-CG 3.86Å
112	R	94.9	Very high	89	Confident	59 Å²	59	53.3 Å²	53.3	22%	0.223	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	110.7	168.9	-171.9	178.2	178.3	-91.9	10.2	109.8	P42 W44 E68 E130	P42-R112 HydrophobicContact CB-CG 3.91Å; W44-R112 HydrophobicContact CD2-CB 4.1Å; W44-R112 HydrophobicContact CD2-CG 4.39Å; W44-R112 HydrophobicContact CE3-CB 4.1Å; W44-R112 HydrophobicContact CH2-CB 3.9Å; W44-R112 HydrophobicContact CH2-CG 4.47Å; W44-R112 HydrophobicContact CZ2-CB 3.84Å; W44-R112 HydrophobicContact CZ2-CG 3.92Å; W44-R112 HydrophobicContact CZ3-CB 4.02Å; E68-R112 IonicContact OE1-CZ 2.64Å; E68-R112 IonicContact OE1-NE 3.72Å; E68-R112 PolarHBondContact OE1-NE 3.33Å; E68-R112 IonicContact OE1-NH2 3.75Å; E68-R112 PolarHBondContact OE1-NH2 3.19Å; E68-R112 IonicContact OE2-CZ 2.77Å; E68-R112 IonicContact OE2-NE 3.05Å; E68-R112 PolarHBondContact OE2-NE 2.93Å; E68-R112 IonicContact OE2-NH2 3.27Å; R112-E130 HydrophobicContact CB-CG 4.3Å; R112-E130 WeakPolarHBondContact CB-OE1 3.3Å; R112-E130 PolarHBondContact N-OE1 3.37Å
113	C	94.3	Very high	88.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.4	-166.8	-56	0	0	0	0	112	H43 F45 R111 F116 P127	H43-C113 PolarHBondContact N-O 3.32Å; H43-C113 WeakPolarHBondContact O-CA 3.28Å; H43-C113 WeakPolarHBondContact O-CB 3.44Å; H43-C113 PolarHBondContact O-N 3.02Å; F45-C113 HydrophobicContact CD2-CB 3.7Å; F45-C113 HydrophobicContact CE2-CB 4.11Å; R111-C113 PolarHBondContact O-N 2.83Å; R111-C113 PolarHBondContact O-SG 3.31Å; C113-F116 HydrophobicContact CB-CE1 3.84Å; C113-F116 HydrophobicContact CB-CZ 3.6Å; C113-P127 HydrophobicContact CB-CB 3.8Å; C113-P127 WeakPolarHBondContact SG-CB 3.34Å
114	T	94.9	Very high	87.7	Confident	13 Å²	13	63.4 Å²	63.4	8%	0.08	32%	0.318	C	S	.	.	S	Bend	trans	-126.8	-20.9	174	50.6	0	0	0	0	112.9	V40 P42 S133 G197	V40-T114 HydrophobicContact CG1-CG2 3.64Å; V40-T114 HydrophobicContact CG2-CG2 4.41Å; P42-T114 HydrophobicContact CB-CG2 3.87Å; T114-S133 WeakPolarHBondContact OG1-CB 3.43Å; T114-G197 PolarHBondContact O-N 2.94Å
115	W	94.5	Very high	87.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.5	-177.7	-75.1	87.7	0	0	0	111.1	P127 Y128 L136 E137 Y140 M169 V194 R196	W115-P127 WeakPolarHBondContact O-CA 3.39Å; W115-Y128 HydrophobicContact CB-CD2 3.9Å; W115-Y128 PolarHBondContact O-N 3.3Å; W115-L136 HydrophobicContact CB-CD1 4.05Å; W115-L136 HydrophobicContact CD2-CB 4.07Å; W115-L136 HydrophobicContact CD2-CD1 4.38Å; W115-L136 HydrophobicContact CG-CB 4.13Å; W115-L136 HydrophobicContact CG-CD1 4.17Å; W115-E137 WeakPolarHBondContact CZ2-OE2 3.4Å; W115-E137 PolarHBondContact NE1-OE2 2.92Å; W115-Y140 AromaticContact CH2-CD2 3.67Å; W115-Y140 HydrophobicContact CH2-CD2 3.67Å; W115-Y140 HydrophobicContact CH2-CE2 4.33Å; W115-Y140 AromaticContact CH2-CG 3.85Å; W115-Y140 HydrophobicContact CH2-CG 3.85Å; W115-Y140 HydrophobicContact CZ2-CD1 4.34Å; W115-Y140 HydrophobicContact CZ2-CD2 4.1Å; W115-Y140 AromaticContact CZ2-CG 3.78Å; W115-Y140 HydrophobicContact CZ2-CG 3.78Å; W115-M169 HydrophobicContact CH2-CE 4.1Å; W115-M169 HydrophobicContact CH2-SD 3.55Å; W115-M169 VanDerWaalsContact CH2-SD 3.55Å; W115-M169 HydrophobicContact CZ3-CE 3.68Å; W115-M169 HydrophobicContact CZ3-SD 3.43Å; W115-M169 WeakPolarHBondContact CZ3-SD 3.49Å; W115-V194 HydrophobicContact CE3-CG1 3.63Å; W115-V194 HydrophobicContact CZ3-CG1 3.85Å; W115-R196 HydrophobicContact CD2-CB 4.21Å; W115-R196 HydrophobicContact CD2-CG 4.29Å; W115-R196 HydrophobicContact CE3-CB 4.01Å; W115-R196 HydrophobicContact CH2-CB 3.72Å; W115-R196 HydrophobicContact CH2-CG 3.99Å; W115-R196 HydrophobicContact CZ2-CB 3.9Å; W115-R196 VanDerWaalsContact CZ2-CD 3.5Å; W115-R196 HydrophobicContact CZ2-CG 3.64Å; W115-R196 HydrophobicContact CZ3-CB 3.78Å; W115-R196 HydrophobicContact CZ3-CG 4.43Å
116	F	93.4	Very high	87.8	Confident	1 Å²	1	57.4 Å²	57.4	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.5	-175	-54.7	-93.9	0	0	0	111.7	F45 C113 Y125 V126 P127 V194 K195 V198 I201	F45-F116 HydrophobicContact CD2-CE1 4.32Å; F45-F116 HydrophobicContact CD2-CZ 4.37Å; F45-F116 HydrophobicContact CE1-CE1 4.24Å; F45-F116 AromaticContact CE2-CE1 3.8Å; F45-F116 HydrophobicContact CE2-CE1 3.8Å; F45-F116 AromaticContact CE2-CZ 3.63Å; F45-F116 HydrophobicContact CE2-CZ 3.63Å; F45-F116 AromaticContact CZ-CE1 3.76Å; F45-F116 HydrophobicContact CZ-CE1 3.76Å; F45-F116 AromaticContact CZ-CZ 3.85Å; F45-F116 HydrophobicContact CZ-CZ 3.85Å; C113-F116 HydrophobicContact CB-CE1 3.84Å; C113-F116 HydrophobicContact CB-CZ 3.6Å; F116-Y125 HydrophobicContact CB-CD1 4.04Å; F116-Y125 HydrophobicContact CB-CG 4.49Å; F116-V126 CarbonylContact C-O 3.54Å; F116-V126 VanDerWaalsContact CA-O 3.31Å; F116-V126 WeakPolarHBondContact CA-O 3.22Å; F116-P127 HydrophobicContact CD1-CB 3.88Å; F116-P127 HydrophobicContact CE1-CB 3.81Å; F116-V194 CarbonylContact O-C 3.36Å; F116-V194 WeakPolarHBondContact O-CA 3.35Å; F116-K195 PolarHBondContact N-O 2.79Å; F116-K195 PolarHBondContact O-N 2.98Å; F116-V198 HydrophobicContact CE2-CG1 4.01Å; F116-V198 HydrophobicContact CZ-CG1 3.82Å; F116-I201 HydrophobicContact CB-CG2 4.23Å; F116-I201 HydrophobicContact CD1-CD1 4.16Å; F116-I201 HydrophobicContact CD2-CD1 4.19Å; F116-I201 HydrophobicContact CD2-CG2 4.16Å; F116-I201 HydrophobicContact CE1-CD1 4.03Å; F116-I201 HydrophobicContact CE2-CD1 4.08Å; F116-I201 HydrophobicContact CG-CD1 4.25Å; F116-I201 HydrophobicContact CG-CG2 4.24Å; F116-I201 HydrophobicContact CZ-CD1 4Å
117	Y	90.6	Very high	87.9	Confident	51 Å²	51	49.9 Å²	49.9	20%	0.2	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	149.2	165.8	65.8	-89.1	0	0	0	111.4	Y125 V126 Y128 T193	Y117-Y125 WeakPolarHBondContact O-CA 3.49Å; Y117-V126 HydrophobicContact CD1-CB 4.34Å; Y117-V126 WeakPolarHBondContact CD1-O 3.4Å; Y117-V126 HydrophobicContact CD2-CB 4.37Å; Y117-V126 HydrophobicContact CE1-CB 3.81Å; Y117-V126 HydrophobicContact CE1-CG1 3.8Å; Y117-V126 HydrophobicContact CE2-CB 3.83Å; Y117-V126 HydrophobicContact CE2-CG1 4.36Å; Y117-V126 HydrophobicContact CE2-CG2 4.19Å; Y117-V126 PolarHBondContact N-O 2.68Å; Y117-V126 PolarHBondContact O-N 2.84Å; Y117-V126 WeakPolarHBondContact OH-CG1 3.43Å; Y117-Y128 AromaticContact CD1-CD1 3.97Å; Y117-Y128 HydrophobicContact CD1-CD1 3.97Å; Y117-Y128 HydrophobicContact CD1-CD2 4.15Å; Y117-Y128 AromaticContact CD1-CE1 3.63Å; Y117-Y128 HydrophobicContact CD1-CE1 3.63Å; Y117-Y128 AromaticContact CD1-CE2 3.81Å; Y117-Y128 HydrophobicContact CD1-CE2 3.81Å; Y117-Y128 HydrophobicContact CD1-CG 4.24Å; Y117-Y128 AromaticContact CD1-CZ 3.56Å; Y117-Y128 HydrophobicContact CE1-CD1 4.31Å; Y117-Y128 HydrophobicContact CE1-CE1 4.22Å; Y117-Y128 HydrophobicContact CG-CE1 4.44Å; Y117-Y128 HydrophobicContact CG-CE2 4.32Å; Y117-T193 WeakPolarHBondContact CA-O 3.44Å
118	K	88.2	Confident	87.9	Confident	63 Å²	63	48.7 Å²	48.7	27%	0.274	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	124.9	176.8	-168.3	172.6	-178.7	-179	0	110.4	N123 Y125 R192 T193	K118-N123 WeakPolarHBondContact CE-OD1 3.36Å; K118-N123 PolarHBondContact NZ-OD1 2.67Å; K118-Y125 HydrophobicContact CB-CD1 4.39Å; K118-Y125 HydrophobicContact CB-CE1 4.02Å; K118-Y125 HydrophobicContact CG-CE1 4.49Å; K118-R192 WeakPolarHBondContact O-CD 3.26Å; K118-R192 WeakPolarHBondContact O-CG 3.46Å; K118-T193 PolarHBondContact N-O 2.95Å
119	G	82	Confident	87.7	Confident	20 Å²	20	49.9 Å²	49.9	21%	0.206	24%	0.243	C	C	.	.			trans	-70.4	152.9	176.4	0	0	0	0	0	113	K121 K124	G119-K121 PolarHBondContact O-N 3.36Å; G119-K124 PolarHBondContact N-O 2.96Å
120	D	70.7	Confident	87.6	Confident	97 Å²	97	48.9 Å²	48.9	52%	0.519	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-35.5	-169.7	-61.4	-30.1	0	0	0	114.4	R192	D120-R192 VanDerWaalsContact CG-NH2 3.29Å; D120-R192 IonicContact OD1-CZ 3.16Å; D120-R192 IonicContact OD1-NE 2.79Å; D120-R192 PolarHBondContact OD1-NE 2.98Å; D120-R192 IonicContact OD1-NH2 2.91Å; D120-R192 PolarHBondContact OD1-NH2 2.75Å; D120-R192 IonicContact OD2-CZ 3.98Å; D120-R192 IonicContact OD2-NE 3.27Å; D120-R192 IonicContact OD2-NH2 3.26Å; D120-R192 PolarHBondContact OD2-NH2 2.81Å
121	K	69.8	Low	87.4	Confident	185 Å²	185	52.8 Å²	52.8	80%	0.804	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-38	-168.3	-64.2	-175.9	179.7	179.5	0	113.8	G119	G119-K121 PolarHBondContact O-N 3.36Å
122	D	68	Low	87.2	Confident	85 Å²	85	51.7 Å²	51.7	46%	0.455	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	8.2	-160.7	-61.5	-20.6	0	0	0	113.4	K53 K124	K53-D122 IonicContact NZ-OD2 3.54Å; K53-D122 PolarHBondContact NZ-OD2 3.43Å; D122-K124 HydrophobicContact CB-CD 4.3Å; D122-K124 HydrophobicContact CB-CG 4.17Å; D122-K124 PolarHBondContact O-N 3.34Å
123	N	74.8	Confident	87.2	Confident	108 Å²	108	48.9 Å²	48.9	58%	0.578	25%	0.251	S	S	*	.			trans	52.7	0.2	-171.1	-77.3	-32.7	0	0	0	115.3	K118	K118-N123 WeakPolarHBondContact CE-OD1 3.36Å; K118-N123 PolarHBondContact NZ-OD1 2.67Å
124	K	84.1	Confident	87.1	Confident	116 Å²	116	54.4 Å²	54.4	50%	0.504	28%	0.277	S	S	.	.			trans	-70.5	146.7	178.6	-68.1	-177.6	-179.3	-177.9	0	110.6	G119 D122	G119-K124 PolarHBondContact N-O 2.96Å; D122-K124 HydrophobicContact CB-CD 4.3Å; D122-K124 HydrophobicContact CB-CG 4.17Å; D122-K124 PolarHBondContact O-N 3.34Å
125	Y	88.1	Confident	87	Confident	41 Å²	41	56.9 Å²	56.9	16%	0.161	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.5	176	-74.1	-83.6	0	0	0	110	F116 Y117 K118 K195 I201	F116-Y125 HydrophobicContact CB-CD1 4.04Å; F116-Y125 HydrophobicContact CB-CG 4.49Å; Y117-Y125 WeakPolarHBondContact O-CA 3.49Å; K118-Y125 HydrophobicContact CB-CD1 4.39Å; K118-Y125 HydrophobicContact CB-CE1 4.02Å; K118-Y125 HydrophobicContact CG-CE1 4.49Å; Y125-K195 HydrophobicContact CD1-CG 4.37Å; Y125-K195 HydrophobicContact CE1-CB 4.17Å; Y125-K195 HydrophobicContact CE1-CG 3.52Å; Y125-I201 HydrophobicContact CD1-CB 4.38Å; Y125-I201 HydrophobicContact CD1-CG2 3.59Å; Y125-I201 HydrophobicContact CD2-CB 3.68Å; Y125-I201 HydrophobicContact CD2-CG2 3.83Å; Y125-I201 HydrophobicContact CE1-CG2 3.9Å; Y125-I201 HydrophobicContact CE2-CB 3.99Å; Y125-I201 HydrophobicContact CE2-CG2 4.12Å; Y125-I201 HydrophobicContact CG-CB 3.88Å; Y125-I201 HydrophobicContact CG-CG2 3.55Å
126	V	89.8	Confident	86.9	Confident	36 Å²	36	56.9 Å²	56.9	22%	0.218	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.1	177.1	-178	0	0	0	0	108.1	F116 Y117	F116-V126 CarbonylContact C-O 3.54Å; F116-V126 VanDerWaalsContact CA-O 3.31Å; F116-V126 WeakPolarHBondContact CA-O 3.22Å; Y117-V126 HydrophobicContact CD1-CB 4.34Å; Y117-V126 WeakPolarHBondContact CD1-O 3.4Å; Y117-V126 HydrophobicContact CD2-CB 4.37Å; Y117-V126 HydrophobicContact CE1-CB 3.81Å; Y117-V126 HydrophobicContact CE1-CG1 3.8Å; Y117-V126 HydrophobicContact CE2-CB 3.83Å; Y117-V126 HydrophobicContact CE2-CG1 4.36Å; Y117-V126 HydrophobicContact CE2-CG2 4.19Å; Y117-V126 PolarHBondContact N-O 2.68Å; Y117-V126 PolarHBondContact O-N 2.84Å; Y117-V126 WeakPolarHBondContact OH-CG1 3.43Å
127	P	93.4	Very high	86.9	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.013	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	138.7	178.4	28.5	-32.9	0	0	0	111.5	W56 R111 C113 W115 F116	W56-P127 HydrophobicContact CB-CG 4.1Å; W56-P127 HydrophobicContact CD2-CG 3.45Å; W56-P127 VanDerWaalsContact CD2-CG 3.45Å; W56-P127 HydrophobicContact CE3-CG 3.77Å; W56-P127 HydrophobicContact CG-CG 3.6Å; W56-P127 HydrophobicContact CZ3-CG 4.45Å; R111-P127 PolarHBondContact NH1-O 3.36Å; C113-P127 HydrophobicContact CB-CB 3.8Å; C113-P127 WeakPolarHBondContact SG-CB 3.34Å; W115-P127 WeakPolarHBondContact O-CA 3.39Å; F116-P127 HydrophobicContact CD1-CB 3.88Å; F116-P127 HydrophobicContact CE1-CB 3.81Å
128	Y	92.6	Very high	87	Confident	13 Å²	13	60 Å²	60	5%	0.051	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-67	161.3	166.9	-73.2	-76.8	0	0	0	110.9	R111 W115 Y117 F132 S133 L136 I161 H171 V194	R111-Y128 WeakPolarHBondContact CD-O 3.44Å; W115-Y128 HydrophobicContact CB-CD2 3.9Å; W115-Y128 PolarHBondContact O-N 3.3Å; Y117-Y128 AromaticContact CD1-CD1 3.97Å; Y117-Y128 HydrophobicContact CD1-CD1 3.97Å; Y117-Y128 HydrophobicContact CD1-CD2 4.15Å; Y117-Y128 AromaticContact CD1-CE1 3.63Å; Y117-Y128 HydrophobicContact CD1-CE1 3.63Å; Y117-Y128 AromaticContact CD1-CE2 3.81Å; Y117-Y128 HydrophobicContact CD1-CE2 3.81Å; Y117-Y128 HydrophobicContact CD1-CG 4.24Å; Y117-Y128 AromaticContact CD1-CZ 3.56Å; Y117-Y128 HydrophobicContact CE1-CD1 4.31Å; Y117-Y128 HydrophobicContact CE1-CE1 4.22Å; Y117-Y128 HydrophobicContact CG-CE1 4.44Å; Y117-Y128 HydrophobicContact CG-CE2 4.32Å; Y128-F132 AromaticContact CD1-CD1 3.5Å; Y128-F132 HydrophobicContact CD1-CD1 3.5Å; Y128-F132 AromaticContact CD1-CE1 3.74Å; Y128-F132 HydrophobicContact CD1-CE1 3.74Å; Y128-F132 HydrophobicContact CE1-CD1 4.07Å; Y128-F132 AromaticContact CE1-CE1 3.8Å; Y128-F132 HydrophobicContact CE1-CE1 3.8Å; Y128-F132 AromaticContact CG-CD1 3.95Å; Y128-F132 HydrophobicContact CG-CD1 3.95Å; Y128-F132 HydrophobicContact CG-CE1 4.37Å; Y128-S133 WeakPolarHBondContact CB-OG 3.21Å; Y128-S133 PolarHBondContact O-OG 2.93Å; Y128-L136 HydrophobicContact CD2-CD1 3.88Å; Y128-L136 HydrophobicContact CE2-CD1 4.11Å; Y128-L136 HydrophobicContact CG-CD1 4.1Å; Y128-I161 HydrophobicContact CE1-CD1 4.16Å; Y128-H171 AromaticContact CZ-ND1 3.93Å; Y128-H171 PolarHBondContact OH-ND1 2.79Å; Y128-V194 HydrophobicContact CE2-CG1 4.08Å; Y128-V194 HydrophobicContact CE2-CG2 4.41Å; Y128-V194 WeakPolarHBondContact OH-CG2 3.47Å
129	S	91.9	Very high	87.1	Confident	44 Å²	44	58 Å²	58	31%	0.308	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-60.9	153.9	172.9	65	0	0	0	0	111	S131 F132 S133	S129-S131 VanDerWaalsContact C-N 3.32Å; S129-S131 PolarHBondContact O-N 3.37Å; S129-S131 PolarHBondContact OG-OG 3.45Å; S129-F132 PolarHBondContact O-N 3.48Å; S129-F132 WeakPolarHBondContact OG-CB 3.33Å; S129-F132 PolarHBondContact OG-N 2.95Å; S129-S133 VanDerWaalsContact O-CB 3.3Å; S129-S133 WeakPolarHBondContact O-CB 3.37Å; S129-S133 PolarHBondContact O-N 2.74Å; S129-S133 PolarHBondContact O-OG 2.79Å
130	E	91.8	Very high	87.6	Confident	53 Å²	53	58.3 Å²	58.3	25%	0.248	30%	0.296	C	S	.	.	H	α-helix	trans	-58.5	-45.2	-178.2	-56.1	-170.4	-175.9	0	0	111.4	R96 R111 R112 F132 S133 Q134	R96-E130 IonicContact CZ-OE1 3.45Å; R96-E130 IonicContact CZ-OE2 3.53Å; R96-E130 IonicContact NE-OE1 3.5Å; R96-E130 PolarHBondContact NE-OE1 3.47Å; R96-E130 IonicContact NE-OE2 3.9Å; R96-E130 PolarHBondContact NE-OE2 3.34Å; R96-E130 IonicContact NH2-OE1 2.64Å; R96-E130 IonicContact NH2-OE2 3.45Å; R96-E130 PolarHBondContact NH2-OE2 3.45Å; R111-E130 HydrophobicContact CG-CG 3.86Å; R112-E130 HydrophobicContact CB-CG 4.3Å; R112-E130 WeakPolarHBondContact CB-OE1 3.3Å; R112-E130 PolarHBondContact N-OE1 3.37Å; E130-F132 PolarHBondContact O-N 3.01Å; E130-S133 PolarHBondContact O-N 3.4Å; E130-Q134 PolarHBondContact O-N 3.4Å
131	S	92	Very high	88.6	Confident	83 Å²	83	57 Å²	57	58%	0.58	29%	0.288	S	S	*	.	H	α-helix	trans	-62	-42.3	179	55.8	0	0	0	0	112.7	S129 Q134 V135	S129-S131 VanDerWaalsContact C-N 3.32Å; S129-S131 PolarHBondContact O-N 3.37Å; S129-S131 PolarHBondContact OG-OG 3.45Å; S131-Q134 PolarHBondContact O-N 2.88Å; S131-V135 PolarHBondContact O-N 2.78Å
132	F	92.3	Very high	89.6	Confident	15 Å²	15	52.1 Å²	52.1	7%	0.066	27%	0.27	C	S	.	.	H	α-helix	trans	-75.4	-34.6	179.6	-171.2	-112.3	0	0	0	112	Y128 S129 E130 Q134 V135 L136 I161	Y128-F132 AromaticContact CD1-CD1 3.5Å; Y128-F132 HydrophobicContact CD1-CD1 3.5Å; Y128-F132 AromaticContact CD1-CE1 3.74Å; Y128-F132 HydrophobicContact CD1-CE1 3.74Å; Y128-F132 HydrophobicContact CE1-CD1 4.07Å; Y128-F132 AromaticContact CE1-CE1 3.8Å; Y128-F132 HydrophobicContact CE1-CE1 3.8Å; Y128-F132 AromaticContact CG-CD1 3.95Å; Y128-F132 HydrophobicContact CG-CD1 3.95Å; Y128-F132 HydrophobicContact CG-CE1 4.37Å; S129-F132 PolarHBondContact O-N 3.48Å; S129-F132 WeakPolarHBondContact OG-CB 3.33Å; S129-F132 PolarHBondContact OG-N 2.95Å; E130-F132 PolarHBondContact O-N 3.01Å; F132-Q134 VanDerWaalsContact C-N 3.26Å; F132-Q134 PolarHBondContact O-N 3.18Å; F132-V135 PolarHBondContact O-N 3.42Å; F132-L136 HydrophobicContact CD1-CD1 3.71Å; F132-L136 HydrophobicContact CD1-CG 4.23Å; F132-L136 HydrophobicContact CE1-CD1 3.52Å; F132-L136 HydrophobicContact CE1-CD2 4.37Å; F132-L136 HydrophobicContact CE1-CG 3.87Å; F132-L136 HydrophobicContact CZ-CD1 4.32Å; F132-L136 HydrophobicContact CZ-CD2 4.45Å; F132-L136 HydrophobicContact CZ-CG 4.18Å; F132-L136 PolarHBondContact O-N 3.48Å; F132-I161 HydrophobicContact CE1-CD1 3.32Å; F132-I161 HydrophobicContact CZ-CD1 3.32Å
133	S	93.6	Very high	90.7	Very high	1 Å²	1	48 Å²	48	1%	0.007	25%	0.248	C	C	.	.	H	α-helix	trans	-62.2	-34.7	173.5	-58.2	0	0	0	0	111.7	T114 Y128 S129 E130 L136 E137	T114-S133 WeakPolarHBondContact OG1-CB 3.43Å; Y128-S133 WeakPolarHBondContact CB-OG 3.21Å; Y128-S133 PolarHBondContact O-OG 2.93Å; S129-S133 VanDerWaalsContact O-CB 3.3Å; S129-S133 WeakPolarHBondContact O-CB 3.37Å; S129-S133 PolarHBondContact O-N 2.74Å; S129-S133 PolarHBondContact O-OG 2.79Å; E130-S133 PolarHBondContact O-N 3.4Å; S133-L136 PolarHBondContact O-N 3.23Å; S133-E137 WeakPolarHBondContact O-CB 3.29Å; S133-E137 PolarHBondContact O-N 3.03Å
134	Q	92.4	Very high	91.4	Very high	116 Å²	116	43.6 Å²	43.6	54%	0.542	23%	0.225	S	C	.	.	H	α-helix	trans	-63.8	-46.5	173.1	-176.7	-179.6	-11.3	0	0	111.8	E130 S131 F132 L136 E137 E138	E130-Q134 PolarHBondContact O-N 3.4Å; S131-Q134 PolarHBondContact O-N 2.88Å; F132-Q134 VanDerWaalsContact C-N 3.26Å; F132-Q134 PolarHBondContact O-N 3.18Å; Q134-L136 VanDerWaalsContact C-N 3.32Å; Q134-L136 PolarHBondContact O-N 2.92Å; Q134-E137 PolarHBondContact O-N 3.36Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.42Å; Q134-E138 PolarHBondContact NE2-OE1 2.98Å; Q134-E138 WeakPolarHBondContact O-CG 3.41Å; Q134-E138 PolarHBondContact O-N 3.03Å
135	V	92.9	Very high	91.6	Very high	64 Å²	64	42.1 Å²	42.1	39%	0.388	23%	0.226	S	C	.	.	H	α-helix	trans	-62.5	-40.5	177.3	177.6	0	0	0	0	111.4	S131 F132 T139 L153	S131-V135 PolarHBondContact O-N 2.78Å; F132-V135 PolarHBondContact O-N 3.42Å; V135-T139 WeakPolarHBondContact O-CB 3.17Å; V135-T139 PolarHBondContact O-N 2.84Å; V135-T139 PolarHBondContact O-OG1 2.98Å; V135-L153 HydrophobicContact CG1-CD2 4.22Å
136	L	92.3	Very high	91.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.8	-45.1	174	-80.9	168.2	0	0	0	111.6	W115 Y128 F132 S133 Q134 T139 Y140 L153 I161	W115-L136 HydrophobicContact CB-CD1 4.05Å; W115-L136 HydrophobicContact CD2-CB 4.07Å; W115-L136 HydrophobicContact CD2-CD1 4.38Å; W115-L136 HydrophobicContact CG-CB 4.13Å; W115-L136 HydrophobicContact CG-CD1 4.17Å; Y128-L136 HydrophobicContact CD2-CD1 3.88Å; Y128-L136 HydrophobicContact CE2-CD1 4.11Å; Y128-L136 HydrophobicContact CG-CD1 4.1Å; F132-L136 HydrophobicContact CD1-CD1 3.71Å; F132-L136 HydrophobicContact CD1-CG 4.23Å; F132-L136 HydrophobicContact CE1-CD1 3.52Å; F132-L136 HydrophobicContact CE1-CD2 4.37Å; F132-L136 HydrophobicContact CE1-CG 3.87Å; F132-L136 HydrophobicContact CZ-CD1 4.32Å; F132-L136 HydrophobicContact CZ-CD2 4.45Å; F132-L136 HydrophobicContact CZ-CG 4.18Å; F132-L136 PolarHBondContact O-N 3.48Å; S133-L136 PolarHBondContact O-N 3.23Å; Q134-L136 VanDerWaalsContact C-N 3.32Å; Q134-L136 PolarHBondContact O-N 2.92Å; L136-T139 PolarHBondContact O-N 3.47Å; L136-Y140 VanDerWaalsContact O-CB 3.29Å; L136-Y140 WeakPolarHBondContact O-CB 3.25Å; L136-Y140 PolarHBondContact O-N 2.94Å; L136-L153 HydrophobicContact CD2-CD1 3.5Å; L136-L153 HydrophobicContact CG-CD1 4.4Å; L136-I161 HydrophobicContact CD2-CD1 4.45Å; L136-I161 HydrophobicContact CD2-CG2 3.9Å
137	E	93.8	Very high	91.5	Very high	22 Å²	22	49.1 Å²	49.1	10%	0.103	27%	0.265	C	S	.	.	H	α-helix	trans	-65.9	-45.2	-179.7	-173	63.2	-172.6	0	0	112.3	Y37 V40 W115 S133 Q134 T139 Y140 M141 R196	Y37-E137 WeakPolarHBondContact CE2-OE1 3.34Å; Y37-E137 PolarHBondContact OH-OE1 2.83Å; V40-E137 HydrophobicContact CG1-CG 4.27Å; V40-E137 WeakPolarHBondContact CG1-OE1 3.45Å; W115-E137 WeakPolarHBondContact CZ2-OE2 3.4Å; W115-E137 PolarHBondContact NE1-OE2 2.92Å; S133-E137 WeakPolarHBondContact O-CB 3.29Å; S133-E137 PolarHBondContact O-N 3.03Å; Q134-E137 PolarHBondContact O-N 3.36Å; E137-T139 VanDerWaalsContact C-N 3.3Å; E137-T139 PolarHBondContact O-N 3.42Å; E137-Y140 PolarHBondContact O-N 3.3Å; E137-M141 WeakPolarHBondContact O-CB 3.39Å; E137-M141 PolarHBondContact O-N 2.88Å; E137-R196 IonicContact OE1-CZ 3.44Å; E137-R196 IonicContact OE1-NE 3.64Å; E137-R196 PolarHBondContact OE1-NE 3.42Å; E137-R196 IonicContact OE1-NH2 3.61Å; E137-R196 PolarHBondContact OE1-NH2 3.24Å; E137-R196 IonicContact OE2-CZ 2.65Å; E137-R196 IonicContact OE2-NE 3.31Å; E137-R196 PolarHBondContact OE2-NE 3.36Å; E137-R196 IonicContact OE2-NH2 3.38Å
138	E	92.4	Very high	91.2	Very high	95 Å²	95	54 Å²	54	44%	0.444	29%	0.287	S	S	.	.	H	α-helix	trans	-59.7	-42	175.6	-73.1	173.4	-166	0	0	111.4	Q134 M141 L142	Q134-E138 WeakPolarHBondContact CG-OE1 3.42Å; Q134-E138 PolarHBondContact NE2-OE1 2.98Å; Q134-E138 WeakPolarHBondContact O-CG 3.41Å; Q134-E138 PolarHBondContact O-N 3.03Å; E138-M141 PolarHBondContact O-N 3.24Å; E138-L142 WeakPolarHBondContact O-CG 3.46Å; E138-L142 PolarHBondContact O-N 3.2Å
139	T	91.5	Very high	91	Very high	21 Å²	21	56 Å²	56	13%	0.129	29%	0.294	C	S	.	.	H	α-helix	trans	-69.8	-39.8	178.6	-53.2	0	0	0	0	112	V135 L136 E137 L142 A143 K151 L153 L163	V135-T139 WeakPolarHBondContact O-CB 3.17Å; V135-T139 PolarHBondContact O-N 2.84Å; V135-T139 PolarHBondContact O-OG1 2.98Å; L136-T139 PolarHBondContact O-N 3.47Å; E137-T139 VanDerWaalsContact C-N 3.3Å; E137-T139 PolarHBondContact O-N 3.42Å; T139-L142 PolarHBondContact O-N 3.12Å; T139-A143 WeakPolarHBondContact O-CB 3.38Å; T139-A143 PolarHBondContact O-N 2.95Å; T139-K151 HydrophobicContact CG2-CB 4.17Å; T139-K151 HydrophobicContact CG2-CD 4.25Å; T139-L153 HydrophobicContact CG2-CD1 3.84Å; T139-L153 HydrophobicContact CG2-CD2 3.99Å; T139-L153 HydrophobicContact CG2-CG 4.06Å; T139-L153 WeakPolarHBondContact OG1-CD2 3.43Å; T139-L163 HydrophobicContact CG2-CD1 4.01Å
140	Y	91.9	Very high	90.7	Very high	28 Å²	28	61.2 Å²	61.2	11%	0.11	31%	0.312	C	S	.	.	H	α-helix	trans	-63.1	-45.5	175.2	179.1	-94.5	0	0	0	111.1	Y37 W115 L136 E137 L142 A143 V144 W149 M169	Y37-Y140 HydrophobicContact CD2-CD1 4.21Å; Y37-Y140 HydrophobicContact CD2-CE1 4.31Å; Y37-Y140 HydrophobicContact CE2-CD1 4.13Å; W115-Y140 AromaticContact CH2-CD2 3.67Å; W115-Y140 HydrophobicContact CH2-CD2 3.67Å; W115-Y140 HydrophobicContact CH2-CE2 4.33Å; W115-Y140 AromaticContact CH2-CG 3.85Å; W115-Y140 HydrophobicContact CH2-CG 3.85Å; W115-Y140 HydrophobicContact CZ2-CD1 4.34Å; W115-Y140 HydrophobicContact CZ2-CD2 4.1Å; W115-Y140 AromaticContact CZ2-CG 3.78Å; W115-Y140 HydrophobicContact CZ2-CG 3.78Å; L136-Y140 VanDerWaalsContact O-CB 3.29Å; L136-Y140 WeakPolarHBondContact O-CB 3.25Å; L136-Y140 PolarHBondContact O-N 2.94Å; E137-Y140 PolarHBondContact O-N 3.3Å; Y140-L142 VanDerWaalsContact C-N 3.34Å; Y140-L142 PolarHBondContact O-N 2.99Å; Y140-A143 PolarHBondContact O-N 2.92Å; Y140-A143 VanDerWaalsContact O-N 3.14Å; Y140-V144 HydrophobicContact CD1-CG2 4.07Å; Y140-V144 HydrophobicContact CD2-CG2 4.42Å; Y140-V144 HydrophobicContact CE1-CG2 3.66Å; Y140-V144 HydrophobicContact CE2-CG2 4.06Å; Y140-V144 HydrophobicContact CG-CG2 4.44Å; Y140-V144 WeakPolarHBondContact O-CG2 3.44Å; Y140-V144 PolarHBondContact O-N 3.05Å; Y140-W149 HydrophobicContact CD2-CZ3 4.47Å; Y140-W149 HydrophobicContact CE2-CH2 4.11Å; Y140-W149 HydrophobicContact CE2-CZ3 4.36Å; Y140-M169 HydrophobicContact CD2-SD 4.09Å; Y140-M169 HydrophobicContact CE2-SD 4.12Å
141	M	91.4	Very high	90	Very high	70 Å²	70	61.4 Å²	61.4	35%	0.345	31%	0.312	S	S	.	.	H	α-helix	trans	-55.3	-48	174.3	-179.1	-172.9	67.8	0	0	111.3	Y37 E137 E138 V144 T145	Y37-M141 HydrophobicContact CD1-CG 3.77Å; Y37-M141 HydrophobicContact CD1-SD 4.37Å; Y37-M141 HydrophobicContact CD2-CB 3.86Å; Y37-M141 HydrophobicContact CD2-CG 3.94Å; Y37-M141 HydrophobicContact CE1-CB 4.24Å; Y37-M141 HydrophobicContact CE1-CG 3.7Å; Y37-M141 HydrophobicContact CE1-SD 3.9Å; Y37-M141 HydrophobicContact CE2-CB 3.54Å; Y37-M141 HydrophobicContact CE2-CG 3.87Å; Y37-M141 HydrophobicContact CG-CB 4.31Å; Y37-M141 HydrophobicContact CG-CG 3.87Å; E137-M141 WeakPolarHBondContact O-CB 3.39Å; E137-M141 PolarHBondContact O-N 2.88Å; E138-M141 PolarHBondContact O-N 3.24Å; M141-V144 PolarHBondContact O-N 2.85Å; M141-T145 HydrophobicContact CG-CG2 4.42Å; M141-T145 WeakPolarHBondContact O-CB 3.24Å; M141-T145 VanDerWaalsContact O-CG2 3.28Å; M141-T145 WeakPolarHBondContact O-CG2 3.44Å; M141-T145 PolarHBondContact O-N 3.35Å; M141-T145 PolarHBondContact O-OG1 3.17Å
142	L	91.1	Very high	89.6	Confident	81 Å²	81	64.8 Å²	64.8	42%	0.424	32%	0.316	S	S	.	.	H	α-helix	trans	-64.1	-39	176.4	-71	173.8	0	0	0	112.6	E138 T139 Y140 T145 L146	E138-L142 WeakPolarHBondContact O-CG 3.46Å; E138-L142 PolarHBondContact O-N 3.2Å; T139-L142 PolarHBondContact O-N 3.12Å; Y140-L142 VanDerWaalsContact C-N 3.34Å; Y140-L142 PolarHBondContact O-N 2.99Å; L142-T145 WeakPolarHBondContact CA-OG1 3.4Å; L142-T145 PolarHBondContact O-OG1 3.26Å; L142-L146 HydrophobicContact CD2-CD1 4.45Å; L142-L146 VanDerWaalsContact O-CB 3.27Å; L142-L146 WeakPolarHBondContact O-CB 3.39Å; L142-L146 WeakPolarHBondContact O-CG 3.49Å; L142-L146 PolarHBondContact O-N 3.35Å
143	A	90.2	Very high	89.3	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-41.6	178.3	0	0	0	0	0	111.9	T139 Y140 D147 E148 W149	T139-A143 WeakPolarHBondContact O-CB 3.38Å; T139-A143 PolarHBondContact O-N 2.95Å; Y140-A143 PolarHBondContact O-N 2.92Å; Y140-A143 VanDerWaalsContact O-N 3.14Å; A143-D147 CarbonylContact O-C 3.4Å; A143-D147 WeakPolarHBondContact O-CA 3.48Å; A143-D147 PolarHBondContact O-N 2.93Å; A143-E148 WeakPolarHBondContact CA-O 3.22Å; A143-E148 WeakPolarHBondContact CB-O 3.33Å; A143-E148 PolarHBondContact O-N 3.4Å; A143-W149 HydrophobicContact CB-CD2 4.42Å; A143-W149 HydrophobicContact CB-CE3 4.1Å; A143-W149 HydrophobicContact CB-CH2 4.45Å; A143-W149 HydrophobicContact CB-CZ3 4.13Å
144	V	89.8	Confident	88.8	Confident	15 Å²	15	71.4 Å²	71.4	9%	0.091	35%	0.348	C	S	.	.	H	α-helix	trans	-70.7	-45	178.1	173.7	0	0	0	0	111.5	S35 Y140 M141 W149	S35-V144 WeakPolarHBondContact O-CG1 3.42Å; Y140-V144 HydrophobicContact CD1-CG2 4.07Å; Y140-V144 HydrophobicContact CD2-CG2 4.42Å; Y140-V144 HydrophobicContact CE1-CG2 3.66Å; Y140-V144 HydrophobicContact CE2-CG2 4.06Å; Y140-V144 HydrophobicContact CG-CG2 4.44Å; Y140-V144 WeakPolarHBondContact O-CG2 3.44Å; Y140-V144 PolarHBondContact O-N 3.05Å; M141-V144 PolarHBondContact O-N 2.85Å; V144-W149 HydrophobicContact CG2-CH2 3.64Å; V144-W149 HydrophobicContact CG2-CZ2 3.89Å
145	T	89.1	Confident	88.1	Confident	84 Å²	84	66.4 Å²	66.4	52%	0.515	33%	0.325	S	S	.	.	H	α-helix	trans	-72.2	-33.4	-176.7	50.9	0	0	0	0	113.9	M141 L142	M141-T145 HydrophobicContact CG-CG2 4.42Å; M141-T145 WeakPolarHBondContact O-CB 3.24Å; M141-T145 VanDerWaalsContact O-CG2 3.28Å; M141-T145 WeakPolarHBondContact O-CG2 3.44Å; M141-T145 PolarHBondContact O-N 3.35Å; M141-T145 PolarHBondContact O-OG1 3.17Å; L142-T145 WeakPolarHBondContact CA-OG1 3.4Å; L142-T145 PolarHBondContact O-OG1 3.26Å
146	L	88.4	Confident	87.2	Confident	100 Å²	100	68.3 Å²	68.3	52%	0.524	34%	0.339	S	S	.	.	H	α-helix	trans	-96.9	-4	178.5	-57.7	174.6	0	0	0	113	L142 E148	L142-L146 HydrophobicContact CD2-CD1 4.45Å; L142-L146 VanDerWaalsContact O-CB 3.27Å; L142-L146 WeakPolarHBondContact O-CB 3.39Å; L142-L146 WeakPolarHBondContact O-CG 3.49Å; L142-L146 PolarHBondContact O-N 3.35Å; L146-E148 HydrophobicContact CB-CB 4.27Å; L146-E148 HydrophobicContact CB-CG 3.97Å; L146-E148 PolarHBondContact O-N 3.06Å
147	D	86.6	Confident	86.5	Confident	125 Å²	125	74 Å²	74	67%	0.668	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	32.6	-169.3	-162	34.3	0	0	0	113.7	A143 W149	A143-D147 CarbonylContact O-C 3.4Å; A143-D147 WeakPolarHBondContact O-CA 3.48Å; A143-D147 PolarHBondContact O-N 2.93Å; D147-W149 PolarHBondContact OD1-NE1 2.86Å
148	E	87.6	Confident	85.6	Confident	103 Å²	103	81.9 Å²	81.9	48%	0.481	40%	0.398	S	S	.	.			trans	-104.2	93.2	-178.4	-73.4	-173	161.7	0	0	111.7	A143 L146 K151	A143-E148 WeakPolarHBondContact CA-O 3.22Å; A143-E148 WeakPolarHBondContact CB-O 3.33Å; A143-E148 PolarHBondContact O-N 3.4Å; L146-E148 HydrophobicContact CB-CB 4.27Å; L146-E148 HydrophobicContact CB-CG 3.97Å; L146-E148 PolarHBondContact O-N 3.06Å; E148-K151 WeakPolarHBondContact O-CE 3.47Å; E148-K151 WeakPolarHBondContact OE2-CE 3.36Å; E148-K151 IonicContact OE2-NZ 3.42Å; E148-K151 PolarHBondContact OE2-NZ 2.7Å
149	W	88.7	Confident	85.2	Confident	56 Å²	56	78.7 Å²	78.7	21%	0.212	38%	0.383	C	S	.	.			trans	-92.1	176.7	179.7	-60.7	94.2	0	0	0	113.6	Y140 A143 V144 D147 K151 L163 H164 N165 P166	Y140-W149 HydrophobicContact CD2-CZ3 4.47Å; Y140-W149 HydrophobicContact CE2-CH2 4.11Å; Y140-W149 HydrophobicContact CE2-CZ3 4.36Å; A143-W149 HydrophobicContact CB-CD2 4.42Å; A143-W149 HydrophobicContact CB-CE3 4.1Å; A143-W149 HydrophobicContact CB-CH2 4.45Å; A143-W149 HydrophobicContact CB-CZ3 4.13Å; V144-W149 HydrophobicContact CG2-CH2 3.64Å; V144-W149 HydrophobicContact CG2-CZ2 3.89Å; D147-W149 PolarHBondContact OD1-NE1 2.86Å; W149-K151 VanDerWaalsContact C-N 3.29Å; W149-K151 PolarHBondContact O-N 3.39Å; W149-L163 HydrophobicContact CE3-CB 4.28Å; W149-L163 HydrophobicContact CZ3-CB 4.38Å; W149-H164 VanDerWaalsContact CB-O 3.3Å; W149-H164 WeakPolarHBondContact CB-O 3.39Å; W149-N165 VanDerWaalsContact CE3-CA 3.4Å; W149-N165 VanDerWaalsContact CZ3-C 3.44Å; W149-P166 HydrophobicContact CH2-CB 4.39Å; W149-P166 VanDerWaalsContact CH2-CD 3.4Å; W149-P166 HydrophobicContact CH2-CG 3.54Å; W149-P166 VanDerWaalsContact CZ2-CD 3.46Å; W149-P166 HydrophobicContact CZ2-CG 3.66Å
150	K	84.3	Confident	85	Confident	153 Å²	153	81 Å²	81	67%	0.665	39%	0.394	S	S	*	.			trans	68.9	21.8	-178	-49.1	172	-175.5	170.8	0	114.1	L163	K150-L163 WeakPolarHBondContact CA-O 3.39Å; K150-L163 PolarHBondContact N-O 3.4Å
151	K	77.9	Confident	84.9	Confident	57 Å²	57	79.7 Å²	79.7	25%	0.248	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	132.4	169.6	-66.5	-175.3	178.8	176.2	0	109.2	T139 E148 W149 L163	T139-K151 HydrophobicContact CG2-CB 4.17Å; T139-K151 HydrophobicContact CG2-CD 4.25Å; E148-K151 WeakPolarHBondContact O-CE 3.47Å; E148-K151 WeakPolarHBondContact OE2-CE 3.36Å; E148-K151 IonicContact OE2-NZ 3.42Å; E148-K151 PolarHBondContact OE2-NZ 2.7Å; W149-K151 VanDerWaalsContact C-N 3.29Å; W149-K151 PolarHBondContact O-N 3.39Å; K151-L163 PolarHBondContact O-N 3.46Å
152	K	83.9	Confident	84.8	Confident	155 Å²	155	77.4 Å²	77.4	67%	0.674	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.6	177.1	-64.5	-175.3	178.7	179.8	0	108.9	I160 I161 I162	K152-I160 HydrophobicContact CB-CG2 4.3Å; K152-I160 HydrophobicContact CG-CG2 4.47Å; K152-I161 CarbonylContact C-O 3.42Å; K152-I161 WeakPolarHBondContact CA-O 3.45Å; K152-I162 HydrophobicContact CG-CD1 4.27Å; K152-I162 HydrophobicContact CG-CG1 4.19Å
153	L	85.6	Confident	84.8	Confident	23 Å²	23	73.5 Å²	73.5	12%	0.12	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133	173.6	-70.4	166.4	0	0	0	108.9	V135 L136 T139 I160 I161 L163	V135-L153 HydrophobicContact CG1-CD2 4.22Å; L136-L153 HydrophobicContact CD2-CD1 3.5Å; L136-L153 HydrophobicContact CG-CD1 4.4Å; T139-L153 HydrophobicContact CG2-CD1 3.84Å; T139-L153 HydrophobicContact CG2-CD2 3.99Å; T139-L153 HydrophobicContact CG2-CG 4.06Å; T139-L153 WeakPolarHBondContact OG1-CD2 3.43Å; L153-I160 CarbonylContact O-C 3.58Å; L153-I160 WeakPolarHBondContact O-CA 3.46Å; L153-I161 HydrophobicContact CB-CB 4.32Å; L153-I161 PolarHBondContact N-O 3.36Å; L153-I161 PolarHBondContact O-N 3.27Å; L153-L163 HydrophobicContact CD1-CD1 4.44Å
154	E	83.4	Confident	84.6	Confident	132 Å²	132	76.5 Å²	76.5	62%	0.617	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.3	172.6	-166.3	173.3	-179	0	0	108.4	E159	E154-E159 WeakPolarHBondContact CA-O 3.09Å
155	S	78	Confident	84.5	Confident	10 Å²	10	78.8 Å²	78.8	7%	0.07	38%	0.383	C	S	.	.			trans	-74.9	163.6	173.5	70.1	0	0	0	0	110.8	N157 R158 E159	S155-N157 PolarHBondContact O-N 3.38Å; S155-R158 PolarHBondContact O-N 2.87Å; S155-E159 PolarHBondContact N-O 2.79Å; S155-E159 WeakPolarHBondContact OG-CA 3.39Å; S155-E159 WeakPolarHBondContact OG-CB 3.5Å; S155-E159 WeakPolarHBondContact OG-CG 3.38Å; S155-E159 PolarHBondContact OG-N 3.37Å; S155-E159 PolarHBondContact OG-O 2.81Å; S155-E159 VanDerWaalsContact OG-O 3.12Å
156	P	73.9	Confident	84.2	Confident	105 Å²	105	77.2 Å²	77.2	68%	0.682	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-24	175.7	-27.2	35.9	0	0	0	114.3	R158	P156-R158 VanDerWaalsContact C-N 3.35Å
157	N	76.2	Confident	84	Confident	118 Å²	118	81.4 Å²	81.4	63%	0.631	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	13.9	179.5	-64.5	-12.1	0	0	0	113.2	S155 E159	S155-N157 PolarHBondContact O-N 3.38Å; N157-E159 HydrophobicContact CB-CG 3.87Å; N157-E159 PolarHBondContact O-N 2.96Å
158	R	76.3	Confident	84	Confident	188 Å²	188	79.5 Å²	79.5	71%	0.709	38%	0.378	S	S	*	.	S	Bend	trans	63	18	-174.9	-53.4	-176.5	177.7	177.2	-1.5	115	S155 P156	S155-R158 PolarHBondContact O-N 2.87Å; P156-R158 VanDerWaalsContact C-N 3.35Å
159	E	83.2	Confident	84.1	Confident	28 Å²	28	74.8 Å²	74.8	13%	0.131	36%	0.356	C	S	.	.			trans	-79.6	144.5	172.2	-33.4	-170	105.5	0	0	109.4	E154 S155 N157 H171 Y172 P174	E154-E159 WeakPolarHBondContact CA-O 3.09Å; S155-E159 PolarHBondContact N-O 2.79Å; S155-E159 WeakPolarHBondContact OG-CA 3.39Å; S155-E159 WeakPolarHBondContact OG-CB 3.5Å; S155-E159 WeakPolarHBondContact OG-CG 3.38Å; S155-E159 PolarHBondContact OG-N 3.37Å; S155-E159 PolarHBondContact OG-O 2.81Å; S155-E159 VanDerWaalsContact OG-O 3.12Å; N157-E159 HydrophobicContact CB-CG 3.87Å; N157-E159 PolarHBondContact O-N 2.96Å; E159-H171 WeakPolarHBondContact CB-NE2 3.14Å; E159-H171 VanDerWaalsContact CD-NE2 3.28Å; E159-H171 IonicContact OE1-NE2 3.5Å; E159-H171 IonicContact OE2-CE1 2.89Å; E159-H171 PolarHBondContact OE2-CE1 3.17Å; E159-H171 IonicContact OE2-NE2 3.5Å; E159-H171 PolarHBondContact OE2-NE2 3Å; E159-Y172 WeakPolarHBondContact CA-O 3.46Å; E159-Y172 WeakPolarHBondContact CB-O 3.23Å; E159-P174 HydrophobicContact CB-CG 4.36Å; E159-P174 HydrophobicContact CG-CG 3.88Å
160	I	86.7	Confident	84.1	Confident	70 Å²	70	72.9 Å²	72.9	36%	0.359	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.3	-174.2	-59.9	174.6	0	0	0	110.1	K152 L153 I162 Y172	K152-I160 HydrophobicContact CB-CG2 4.3Å; K152-I160 HydrophobicContact CG-CG2 4.47Å; L153-I160 CarbonylContact O-C 3.58Å; L153-I160 WeakPolarHBondContact O-CA 3.46Å; I160-I162 HydrophobicContact CG2-CD1 4.42Å; I160-I162 HydrophobicContact CG2-CG1 3.98Å; I160-Y172 PolarHBondContact N-O 2.86Å; I160-Y172 WeakPolarHBondContact O-CB 3.48Å; I160-Y172 WeakPolarHBondContact O-CD2 3.46Å; I160-Y172 PolarHBondContact O-N 3.43Å
161	I	90.3	Very high	84.3	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.7	171.3	-67.5	134.8	0	0	0	109.8	Y128 F132 L136 K152 L153 L163 V170 H171 V194	Y128-I161 HydrophobicContact CE1-CD1 4.16Å; F132-I161 HydrophobicContact CE1-CD1 3.32Å; F132-I161 HydrophobicContact CZ-CD1 3.32Å; L136-I161 HydrophobicContact CD2-CD1 4.45Å; L136-I161 HydrophobicContact CD2-CG2 3.9Å; K152-I161 CarbonylContact C-O 3.42Å; K152-I161 WeakPolarHBondContact CA-O 3.45Å; L153-I161 HydrophobicContact CB-CB 4.32Å; L153-I161 PolarHBondContact N-O 3.36Å; L153-I161 PolarHBondContact O-N 3.27Å; I161-L163 HydrophobicContact CG2-CD2 4.12Å; I161-V170 CarbonylContact C-O 3.48Å; I161-V170 VanDerWaalsContact CA-O 3.29Å; I161-V170 WeakPolarHBondContact CA-O 3.39Å; I161-H171 HydrophobicContact CG1-CB 3.83Å; I161-V194 HydrophobicContact CG2-CG2 4.42Å
162	I	89.6	Confident	84.7	Confident	22 Å²	22	67.2 Å²	67.2	11%	0.113	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.6	179.4	-50.3	-172.8	0	0	0	109.2	K152 I160 V170 Y172	K152-I162 HydrophobicContact CG-CD1 4.27Å; K152-I162 HydrophobicContact CG-CG1 4.19Å; I160-I162 HydrophobicContact CG2-CD1 4.42Å; I160-I162 HydrophobicContact CG2-CG1 3.98Å; I162-V170 PolarHBondContact N-O 2.7Å; I162-V170 PolarHBondContact O-N 3.27Å; I162-Y172 HydrophobicContact CB-CE2 4.3Å; I162-Y172 HydrophobicContact CD1-CD2 4.12Å; I162-Y172 HydrophobicContact CD1-CE2 3.6Å; I162-Y172 HydrophobicContact CG1-CD2 4.1Å; I162-Y172 HydrophobicContact CG1-CE2 3.81Å
163	L	91	Very high	84.4	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	99.1	176.1	-51	-179.7	0	0	0	108.9	T139 W149 K150 K151 L153 I161 M169	T139-L163 HydrophobicContact CG2-CD1 4.01Å; W149-L163 HydrophobicContact CE3-CB 4.28Å; W149-L163 HydrophobicContact CZ3-CB 4.38Å; K150-L163 WeakPolarHBondContact CA-O 3.39Å; K150-L163 PolarHBondContact N-O 3.4Å; K151-L163 PolarHBondContact O-N 3.46Å; L153-L163 HydrophobicContact CD1-CD1 4.44Å; I161-L163 HydrophobicContact CG2-CD2 4.12Å; L163-M169 HydrophobicContact CB-CG 4.49Å; L163-M169 HydrophobicContact CD2-CB 3.97Å; L163-M169 HydrophobicContact CD2-CG 3.7Å; L163-M169 HydrophobicContact CD2-SD 3.77Å
164	H	87.4	Confident	83.5	Confident	62 Å²	62	65 Å²	65	29%	0.287	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-38	-177.7	-72.3	-80.5	0	0	0	113.2	W149 L168	W149-H164 VanDerWaalsContact CB-O 3.3Å; W149-H164 WeakPolarHBondContact CB-O 3.39Å; H164-L168 HydrophobicContact CB-CB 4.44Å; H164-L168 HydrophobicContact CB-CD2 4.21Å; H164-L168 HydrophobicContact CB-CG 4.29Å; H164-L168 WeakPolarHBondContact CB-O 3.3Å; H164-L168 PolarHBondContact N-O 3.34Å
165	N	86.5	Confident	82.3	Confident	63 Å²	63	64.8 Å²	64.8	34%	0.337	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	176.1	174.1	64.7	48.7	0	0	0	108.4	W149 K167 L168	W149-N165 VanDerWaalsContact CE3-CA 3.4Å; W149-N165 VanDerWaalsContact CZ3-C 3.44Å; N165-K167 PolarHBondContact O-N 2.98Å; N165-K167 VanDerWaalsContact O-N 3.09Å; N165-K167 WeakPolarHBondContact OD1-CA 3.22Å; N165-K167 PolarHBondContact OD1-N 3.47Å; N165-L168 PolarHBondContact N-O 3.5Å; N165-L168 CarbonylContact O-C 3.47Å; N165-L168 PolarHBondContact O-N 3.4Å; N165-L168 WeakPolarHBondContact OD1-CB 3.32Å; N165-L168 PolarHBondContact OD1-N 3.02Å
166	P	83.6	Confident	81.1	Confident	52 Å²	52	68.6 Å²	68.6	34%	0.338	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.2	-178.1	-26.5	35.7	0	0	0	115.2	W149	W149-P166 HydrophobicContact CH2-CB 4.39Å; W149-P166 VanDerWaalsContact CH2-CD 3.4Å; W149-P166 HydrophobicContact CH2-CG 3.54Å; W149-P166 VanDerWaalsContact CZ2-CD 3.46Å; W149-P166 HydrophobicContact CZ2-CG 3.66Å
167	K	84.3	Confident	79.9	Confident	187 Å²	187	67 Å²	67	81%	0.813	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-18.8	-176.6	-63.2	-176.4	179.7	179	0	113.2	N165	N165-K167 PolarHBondContact O-N 2.98Å; N165-K167 VanDerWaalsContact O-N 3.09Å; N165-K167 WeakPolarHBondContact OD1-CA 3.22Å; N165-K167 PolarHBondContact OD1-N 3.47Å
168	L	86.3	Confident	78.3	Confident	85 Å²	85	66.6 Å²	66.6	45%	0.445	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	100.3	-173.7	-176.2	65.1	0	0	0	110.7	H164 N165 V170	H164-L168 HydrophobicContact CB-CB 4.44Å; H164-L168 HydrophobicContact CB-CD2 4.21Å; H164-L168 HydrophobicContact CB-CG 4.29Å; H164-L168 WeakPolarHBondContact CB-O 3.3Å; H164-L168 PolarHBondContact N-O 3.34Å; N165-L168 PolarHBondContact N-O 3.5Å; N165-L168 CarbonylContact O-C 3.47Å; N165-L168 PolarHBondContact O-N 3.4Å; N165-L168 WeakPolarHBondContact OD1-CB 3.32Å; N165-L168 PolarHBondContact OD1-N 3.02Å; L168-V170 HydrophobicContact CD1-CG2 4.06Å; L168-V170 HydrophobicContact CG-CG2 4.35Å
169	M	90.2	Very high	76.6	Confident	4 Å²	4	65 Å²	65	2%	0.02	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.6	176.7	-60.3	172	-68.5	0	0	107.7	W115 Y140 L163 V194 R196	W115-M169 HydrophobicContact CH2-CE 4.1Å; W115-M169 HydrophobicContact CH2-SD 3.55Å; W115-M169 VanDerWaalsContact CH2-SD 3.55Å; W115-M169 HydrophobicContact CZ3-CE 3.68Å; W115-M169 HydrophobicContact CZ3-SD 3.43Å; W115-M169 WeakPolarHBondContact CZ3-SD 3.49Å; Y140-M169 HydrophobicContact CD2-SD 4.09Å; Y140-M169 HydrophobicContact CE2-SD 4.12Å; L163-M169 HydrophobicContact CB-CG 4.49Å; L163-M169 HydrophobicContact CD2-CB 3.97Å; L163-M169 HydrophobicContact CD2-CG 3.7Å; L163-M169 HydrophobicContact CD2-SD 3.77Å; M169-V194 HydrophobicContact CB-CB 3.83Å; M169-V194 HydrophobicContact CB-CG1 4.29Å; M169-V194 PolarHBondContact O-N 3.29Å; M169-R196 HydrophobicContact CE-CB 4.34Å
170	V	88.6	Confident	74.9	Confident	17 Å²	17	71.4 Å²	71.4	10%	0.103	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.1	-165.7	-174.9	0	0	0	0	110.4	I161 I162 L168 Y172 P191 R192	I161-V170 CarbonylContact C-O 3.48Å; I161-V170 VanDerWaalsContact CA-O 3.29Å; I161-V170 WeakPolarHBondContact CA-O 3.39Å; I162-V170 PolarHBondContact N-O 2.7Å; I162-V170 PolarHBondContact O-N 3.27Å; L168-V170 HydrophobicContact CD1-CG2 4.06Å; L168-V170 HydrophobicContact CG-CG2 4.35Å; V170-Y172 HydrophobicContact CB-CE2 3.98Å; V170-Y172 HydrophobicContact CG1-CD2 4.17Å; V170-Y172 HydrophobicContact CG1-CE1 4.25Å; V170-Y172 HydrophobicContact CG1-CE2 3.63Å; V170-P191 HydrophobicContact CG1-CB 3.33Å; V170-R192 WeakPolarHBondContact CA-O 3.5Å
171	H	88.2	Confident	73.2	Confident	0 Å²	0	79 Å²	79	0%	0	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.3	176.4	176.8	-166.9	0	0	0	109.9	Y128 E159 I161 R192 V194	Y128-H171 AromaticContact CZ-ND1 3.93Å; Y128-H171 PolarHBondContact OH-ND1 2.79Å; E159-H171 WeakPolarHBondContact CB-NE2 3.14Å; E159-H171 VanDerWaalsContact CD-NE2 3.28Å; E159-H171 IonicContact OE1-NE2 3.5Å; E159-H171 IonicContact OE2-CE1 2.89Å; E159-H171 PolarHBondContact OE2-CE1 3.17Å; E159-H171 IonicContact OE2-NE2 3.5Å; E159-H171 PolarHBondContact OE2-NE2 3Å; I161-H171 HydrophobicContact CG1-CB 3.83Å; H171-R192 HydrophobicContact CB-CB 4.14Å; H171-R192 PolarHBondContact N-O 3.21Å; H171-R192 PolarHBondContact O-N 2.79Å; H171-V194 HydrophobicContact CB-CG2 3.57Å
172	Y	85.5	Confident	71.3	Confident	90 Å²	90	83.3 Å²	83.3	35%	0.353	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.9	178.1	-63.4	-87.9	0	0	0	110.2	E159 I160 I162 V170 P191	E159-Y172 WeakPolarHBondContact CA-O 3.46Å; E159-Y172 WeakPolarHBondContact CB-O 3.23Å; I160-Y172 PolarHBondContact N-O 2.86Å; I160-Y172 WeakPolarHBondContact O-CB 3.48Å; I160-Y172 WeakPolarHBondContact O-CD2 3.46Å; I160-Y172 PolarHBondContact O-N 3.43Å; I162-Y172 HydrophobicContact CB-CE2 4.3Å; I162-Y172 HydrophobicContact CD1-CD2 4.12Å; I162-Y172 HydrophobicContact CD1-CE2 3.6Å; I162-Y172 HydrophobicContact CG1-CD2 4.1Å; I162-Y172 HydrophobicContact CG1-CE2 3.81Å; V170-Y172 HydrophobicContact CB-CE2 3.98Å; V170-Y172 HydrophobicContact CG1-CD2 4.17Å; V170-Y172 HydrophobicContact CG1-CE1 4.25Å; V170-Y172 HydrophobicContact CG1-CE2 3.63Å; Y172-P191 HydrophobicContact CD1-CB 4.26Å; Y172-P191 HydrophobicContact CE1-CB 4Å
173	Q	77.1	Confident	68.9	Low	65 Å²	65	87.4 Å²	87.4	30%	0.304	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-77.3	151.7	174	-61.7	-166.4	-68.9	0	0	111.2
174	P	66.8	Low	66.5	Low	66 Å²	66	91.2 Å²	91.2	43%	0.429	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-65.8	139.3	178.4	-10.9	27.5	0	0	0	109.2	E159 A176	E159-P174 HydrophobicContact CB-CG 4.36Å; E159-P174 HydrophobicContact CG-CG 3.88Å; P174-A176 PolarHBondContact O-N 2.87Å
175	V	59.1	Low	64.3	Low	129 Å²	129	93.3 Å²	93.3	78%	0.782	56%	0.56	S	S	*	*			trans	-67.4	114.7	169.9	-176.1	0	0	0	0	106.7	G177	V175-G177 PolarHBondContact O-N 3.27Å
176	A	53.6	Low	62.2	Low	90 Å²	90	96.6 Å²	96.6	74%	0.744	58%	0.583	S	S	*	*			trans	-53.9	126.3	167.5	0	0	0	0	0	107.3	P174 S178	P174-A176 PolarHBondContact O-N 2.87Å; A176-S178 PolarHBondContact O-N 2.83Å
177	G	48.7	Very low	60.5	Low	70 Å²	70	103.1 Å²	103.1	72%	0.722	61%	0.609	S	S	*	*			trans	-45.8	127.8	-170.5	0	0	0	0	0	111.5	V175 D179	V175-G177 PolarHBondContact O-N 3.27Å; G177-D179 PolarHBondContact O-N 3.39Å
178	S	42.7	Very low	58.9	Low	110 Å²	110	102.4 Å²	102.4	77%	0.769	61%	0.608	S	S	*	*			trans	-57.9	111.9	168.2	51.2	0	0	0	0	108.2	A176 D180	A176-S178 PolarHBondContact O-N 2.83Å; S178-D180 PolarHBondContact O-N 2.87Å
179	D	40.4	Very low	57.7	Low	156 Å²	156	100.5 Å²	100.5	83%	0.834	61%	0.609	S	S	*	*			trans	-56.4	135.7	156.6	-79	-28.2	0	0	0	107.6	G177 W181	G177-D179 PolarHBondContact O-N 3.39Å; D179-W181 PolarHBondContact O-N 2.89Å
180	D	47.5	Very low	56.8	Low	162 Å²	162	110.5 Å²	110.5	87%	0.866	65%	0.647	S	S	*	*	S	Bend	trans	-68.8	31	-166	-148.3	13.3	0	0	0	114.1	S178	S178-D180 PolarHBondContact O-N 2.87Å
181	W	50.6	Low	56.5	Low	228 Å²	228	112.9 Å²	112.9	86%	0.864	66%	0.662	S	S	*	*	S	Bend	trans	-140	78.1	-175.6	-140.4	-94.7	0	0	0	113.2	D179 S183	D179-W181 PolarHBondContact O-N 2.89Å; W181-S183 VanDerWaalsContact C-N 3.26Å; W181-S183 PolarHBondContact O-N 2.87Å; W181-S183 PolarHBondContact O-OG 3.38Å
182	G	49.3	Very low	56.5	Low	91 Å²	91	114.4 Å²	114.4	94%	0.938	67%	0.668	S	S	*	*			trans	55.4	19.4	138.2	0	0	0	0	0	119.9
183	S	39.8	Very low	56.6	Low	109 Å²	109	112.8 Å²	112.8	76%	0.762	67%	0.668	S	S	*	*			trans	-103.4	125.5	173.6	-55.1	0	0	0	0	108.7	W181	W181-S183 VanDerWaalsContact C-N 3.26Å; W181-S183 PolarHBondContact O-N 2.87Å; W181-S183 PolarHBondContact O-OG 3.38Å
184	A	40.9	Very low	57.3	Low	79 Å²	79	109.8 Å²	109.8	65%	0.653	65%	0.653	S	S	*	*			trans	-51.3	139.6	177.3	0	0	0	0	0	110.2	T186	A184-T186 VanDerWaalsContact C-N 3.29Å; A184-T186 PolarHBondContact O-N 3.05Å
185	P	40.6	Very low	58.5	Low	106 Å²	106	109 Å²	109	69%	0.688	64%	0.644	S	S	*	*			trans	-70.6	88.1	-177	28.3	-31.9	0	0	0	109.2	E187	P185-E187 PolarHBondContact O-N 2.85Å
186	T	43	Very low	60.1	Low	133 Å²	133	104.1 Å²	104.1	82%	0.816	61%	0.611	S	S	*	*			trans	-73.1	115.7	167.5	29.4	0	0	0	0	108	A184	A184-T186 VanDerWaalsContact C-N 3.29Å; A184-T186 PolarHBondContact O-N 3.05Å
187	E	46.8	Very low	61.9	Low	189 Å²	189	99.9 Å²	99.9	88%	0.883	58%	0.576	S	S	*	*			trans	85.5	68.8	-179.7	-50.5	-160.3	169.7	0	0	116	P185 G189	P185-E187 PolarHBondContact O-N 2.85Å; E187-G189 PolarHBondContact O-N 3.26Å; E187-G189 VanDerWaalsContact O-N 3.1Å
188	Q	52.4	Low	63.9	Low	172 Å²	172	98 Å²	98	80%	0.804	55%	0.55	S	S	*	*			trans	-56.2	112	146.7	-70.5	-177.6	-6.6	0	0	107.6	R190	Q188-R190 PolarHBondContact O-N 2.86Å; Q188-R190 VanDerWaalsContact O-N 3.16Å
189	G	60.3	Low	65.9	Low	44 Å²	44	98.3 Å²	98.3	45%	0.454	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-51.8	123	175.5	0	0	0	0	0	109.8	E187	E187-G189 PolarHBondContact O-N 3.26Å; E187-G189 VanDerWaalsContact O-N 3.1Å
190	R	71.6	Confident	67.9	Low	215 Å²	215	94.8 Å²	94.8	81%	0.811	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-57.2	131.6	-177.2	-176.1	-179.6	-179.9	179.1	1.7	108.9	Q188 R192	Q188-R190 PolarHBondContact O-N 2.86Å; Q188-R190 VanDerWaalsContact O-N 3.16Å; R190-R192 PolarHBondContact O-N 2.85Å
191	P	81.9	Confident	69.7	Low	66 Å²	66	87.7 Å²	87.7	43%	0.429	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-55.5	127.9	177	17.2	-28.4	0	0	0	110.8	V170 Y172	V170-P191 HydrophobicContact CG1-CB 3.33Å; Y172-P191 HydrophobicContact CD1-CB 4.26Å; Y172-P191 HydrophobicContact CE1-CB 4Å
192	R	87.7	Confident	71.2	Confident	33 Å²	33	82 Å²	82	13%	0.125	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	142.4	179.3	-65.8	176.9	178	176.1	-0.5	110.1	K118 D120 V170 H171 R190	K118-R192 WeakPolarHBondContact O-CD 3.26Å; K118-R192 WeakPolarHBondContact O-CG 3.46Å; D120-R192 VanDerWaalsContact CG-NH2 3.29Å; D120-R192 IonicContact OD1-CZ 3.16Å; D120-R192 IonicContact OD1-NE 2.79Å; D120-R192 PolarHBondContact OD1-NE 2.98Å; D120-R192 IonicContact OD1-NH2 2.91Å; D120-R192 PolarHBondContact OD1-NH2 2.75Å; D120-R192 IonicContact OD2-CZ 3.98Å; D120-R192 IonicContact OD2-NE 3.27Å; D120-R192 IonicContact OD2-NH2 3.26Å; D120-R192 PolarHBondContact OD2-NH2 2.81Å; V170-R192 WeakPolarHBondContact CA-O 3.5Å; H171-R192 HydrophobicContact CB-CB 4.14Å; H171-R192 PolarHBondContact N-O 3.21Å; H171-R192 PolarHBondContact O-N 2.79Å; R190-R192 PolarHBondContact O-N 2.85Å
193	T	89.1	Confident	72.8	Confident	56 Å²	56	80.2 Å²	80.2	34%	0.344	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	134.2	174.5	-52.9	0	0	0	0	110.2	Y117 K118 K195	Y117-T193 WeakPolarHBondContact CA-O 3.44Å; K118-T193 PolarHBondContact N-O 2.95Å; T193-K195 HydrophobicContact CG2-CD 4.39Å
194	V	91.6	Very high	74.8	Confident	1 Å²	1	80.8 Å²	80.8	1%	0.006	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.9	174.4	178.6	0	0	0	0	109.3	W115 F116 Y128 I161 M169 H171	W115-V194 HydrophobicContact CE3-CG1 3.63Å; W115-V194 HydrophobicContact CZ3-CG1 3.85Å; F116-V194 CarbonylContact O-C 3.36Å; F116-V194 WeakPolarHBondContact O-CA 3.35Å; Y128-V194 HydrophobicContact CE2-CG1 4.08Å; Y128-V194 HydrophobicContact CE2-CG2 4.41Å; Y128-V194 WeakPolarHBondContact OH-CG2 3.47Å; I161-V194 HydrophobicContact CG2-CG2 4.42Å; M169-V194 HydrophobicContact CB-CB 3.83Å; M169-V194 HydrophobicContact CB-CG1 4.29Å; M169-V194 PolarHBondContact O-N 3.29Å; H171-V194 HydrophobicContact CB-CG2 3.57Å
195	K	92.2	Very high	77	Confident	51 Å²	51	79.1 Å²	79.1	22%	0.222	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.3	179.3	-66.4	-62.4	-167.9	173.2	0	110.2	F116 Y125 T193 N200 I201	F116-K195 PolarHBondContact N-O 2.79Å; F116-K195 PolarHBondContact O-N 2.98Å; Y125-K195 HydrophobicContact CD1-CG 4.37Å; Y125-K195 HydrophobicContact CE1-CB 4.17Å; Y125-K195 HydrophobicContact CE1-CG 3.52Å; T193-K195 HydrophobicContact CG2-CD 4.39Å; K195-N200 HydrophobicContact CB-CB 4.36Å; K195-N200 HydrophobicContact CD-CB 4.27Å; K195-I201 HydrophobicContact CB-CG2 3.85Å; K195-I201 HydrophobicContact CG-CG2 4.3Å
196	R	92.6	Very high	79.1	Confident	26 Å²	26	80 Å²	80	10%	0.098	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132	176.3	-177.7	178.2	-177.9	-99.2	12.4	108.8	E38 V40 W115 E137 M169 N200	E38-R196 PolarHBondContact O-NH1 2.91Å; E38-R196 PolarHBondContact O-NH2 2.91Å; V40-R196 HydrophobicContact CB-CG 4.28Å; V40-R196 HydrophobicContact CG2-CG 4.12Å; W115-R196 HydrophobicContact CD2-CB 4.21Å; W115-R196 HydrophobicContact CD2-CG 4.29Å; W115-R196 HydrophobicContact CE3-CB 4.01Å; W115-R196 HydrophobicContact CH2-CB 3.72Å; W115-R196 HydrophobicContact CH2-CG 3.99Å; W115-R196 HydrophobicContact CZ2-CB 3.9Å; W115-R196 VanDerWaalsContact CZ2-CD 3.5Å; W115-R196 HydrophobicContact CZ2-CG 3.64Å; W115-R196 HydrophobicContact CZ3-CB 3.78Å; W115-R196 HydrophobicContact CZ3-CG 4.43Å; E137-R196 IonicContact OE1-CZ 3.44Å; E137-R196 IonicContact OE1-NE 3.64Å; E137-R196 PolarHBondContact OE1-NE 3.42Å; E137-R196 IonicContact OE1-NH2 3.61Å; E137-R196 PolarHBondContact OE1-NH2 3.24Å; E137-R196 IonicContact OE2-CZ 2.65Å; E137-R196 IonicContact OE2-NE 3.31Å; E137-R196 PolarHBondContact OE2-NE 3.36Å; E137-R196 IonicContact OE2-NH2 3.38Å; M169-R196 HydrophobicContact CE-CB 4.34Å; R196-N200 WeakPolarHBondContact O-CB 3.39Å; R196-N200 PolarHBondContact O-ND2 3.19Å
197	G	90.3	Very high	80.8	Confident	0 Å²	0	79 Å²	79	0%	0	41%	0.414	C	S	.	.	S	Bend	trans	69.7	164.9	178.7	0	0	0	0	0	114.5	T114 E199	T114-G197 PolarHBondContact O-N 2.94Å; G197-E199 VanDerWaalsContact C-OE2 3.3Å; G197-E199 VanDerWaalsContact CA-OE2 3.27Å; G197-E199 WeakPolarHBondContact CA-OE2 3.49Å
198	V	90.1	Very high	82.5	Confident	31 Å²	31	71.5 Å²	71.5	19%	0.188	39%	0.387	C	S	.	.	S	Bend	trans	-79.4	-22.7	179.6	-70.6	0	0	0	0	112.6	H43 F45 F116 N200 I201 I205	H43-V198 HydrophobicContact CB-CG1 3.55Å; H43-V198 HydrophobicContact CB-CG2 4.17Å; F45-V198 HydrophobicContact CE2-CG1 3.81Å; F45-V198 HydrophobicContact CZ-CG1 3.97Å; F116-V198 HydrophobicContact CE2-CG1 4.01Å; F116-V198 HydrophobicContact CZ-CG1 3.82Å; V198-N200 PolarHBondContact O-N 2.91Å; V198-I201 HydrophobicContact CB-CD1 4.44Å; V198-I201 HydrophobicContact CB-CG1 4.46Å; V198-I201 HydrophobicContact CG1-CD1 4.21Å; V198-I201 WeakPolarHBondContact O-CG1 3.26Å; V198-I201 PolarHBondContact O-N 3.47Å; V198-I205 HydrophobicContact CB-CD1 4.12Å; V198-I205 HydrophobicContact CG1-CD1 4.45Å; V198-I205 HydrophobicContact CG2-CD1 4.17Å
199	E	85.5	Confident	84.2	Confident	117 Å²	117	65.1 Å²	65.1	55%	0.547	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.4	176.1	68.4	-73.8	171.8	0	0	113	G197	G197-E199 VanDerWaalsContact C-OE2 3.3Å; G197-E199 VanDerWaalsContact CA-OE2 3.27Å; G197-E199 WeakPolarHBondContact CA-OE2 3.49Å
200	N	83	Confident	85.6	Confident	81 Å²	81	65 Å²	65	43%	0.433	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	5.4	-178.2	-68.9	-61.4	0	0	0	113.8	K195 R196 V198	K195-N200 HydrophobicContact CB-CB 4.36Å; K195-N200 HydrophobicContact CD-CB 4.27Å; R196-N200 WeakPolarHBondContact O-CB 3.39Å; R196-N200 PolarHBondContact O-ND2 3.19Å; V198-N200 PolarHBondContact O-N 2.91Å
201	I	84.8	Confident	86.3	Confident	13 Å²	13	60.7 Å²	60.7	7%	0.067	34%	0.341	C	S	.	.	S	Bend	trans	-116.6	145.5	174.6	66.2	177.6	0	0	0	110	F45 F116 Y125 K195 V198 V203	F45-I201 HydrophobicContact CZ-CD1 4.26Å; F116-I201 HydrophobicContact CB-CG2 4.23Å; F116-I201 HydrophobicContact CD1-CD1 4.16Å; F116-I201 HydrophobicContact CD2-CD1 4.19Å; F116-I201 HydrophobicContact CD2-CG2 4.16Å; F116-I201 HydrophobicContact CE1-CD1 4.03Å; F116-I201 HydrophobicContact CE2-CD1 4.08Å; F116-I201 HydrophobicContact CG-CD1 4.25Å; F116-I201 HydrophobicContact CG-CG2 4.24Å; F116-I201 HydrophobicContact CZ-CD1 4Å; Y125-I201 HydrophobicContact CD1-CB 4.38Å; Y125-I201 HydrophobicContact CD1-CG2 3.59Å; Y125-I201 HydrophobicContact CD2-CB 3.68Å; Y125-I201 HydrophobicContact CD2-CG2 3.83Å; Y125-I201 HydrophobicContact CE1-CG2 3.9Å; Y125-I201 HydrophobicContact CE2-CB 3.99Å; Y125-I201 HydrophobicContact CE2-CG2 4.12Å; Y125-I201 HydrophobicContact CG-CB 3.88Å; Y125-I201 HydrophobicContact CG-CG2 3.55Å; K195-I201 HydrophobicContact CB-CG2 3.85Å; K195-I201 HydrophobicContact CG-CG2 4.3Å; V198-I201 HydrophobicContact CB-CD1 4.44Å; V198-I201 HydrophobicContact CB-CG1 4.46Å; V198-I201 HydrophobicContact CG1-CD1 4.21Å; V198-I201 WeakPolarHBondContact O-CG1 3.26Å; V198-I201 PolarHBondContact O-N 3.47Å; I201-V203 VanDerWaalsContact C-N 3.32Å; I201-V203 HydrophobicContact CB-CG2 4.34Å; I201-V203 HydrophobicContact CD1-CB 4.13Å; I201-V203 HydrophobicContact CD1-CG2 3.54Å; I201-V203 HydrophobicContact CG1-CB 4.11Å; I201-V203 HydrophobicContact CG1-CG2 3.74Å; I201-V203 PolarHBondContact O-N 2.81Å
202	S	81.1	Confident	86.8	Confident	109 Å²	109	62.3 Å²	62.3	76%	0.762	34%	0.343	S	S	*	.			trans	-82.1	78.6	176.2	57.9	0	0	0	0	110
203	V	83	Confident	87.1	Confident	54 Å²	54	61.7 Å²	61.7	33%	0.327	34%	0.342	S	S	.	.			trans	-128	133.5	178.5	174.2	0	0	0	0	109.1	P58 I201 I205	P58-V203 HydrophobicContact CB-CG1 4.31Å; P58-V203 HydrophobicContact CG-CG1 3.59Å; I201-V203 VanDerWaalsContact C-N 3.32Å; I201-V203 HydrophobicContact CB-CG2 4.34Å; I201-V203 HydrophobicContact CD1-CB 4.13Å; I201-V203 HydrophobicContact CD1-CG2 3.54Å; I201-V203 HydrophobicContact CG1-CB 4.11Å; I201-V203 HydrophobicContact CG1-CG2 3.74Å; I201-V203 PolarHBondContact O-N 2.81Å; V203-I205 HydrophobicContact CG1-CG1 4.19Å
204	D	83.6	Confident	87.4	Confident	121 Å²	121	59.5 Å²	59.5	65%	0.647	33%	0.328	S	S	*	.			trans	-83.2	124.2	173.7	-169.5	10.7	0	0	0	109.3	H206	D204-H206 IonicContact OD1-CE1 3.76Å; D204-H206 IonicContact OD1-ND1 3.52Å; D204-H206 IonicContact OD2-CE1 3.31Å; D204-H206 PolarHBondContact OD2-CE1 2.88Å; D204-H206 VanDerWaalsContact OD2-CE1 3.25Å; D204-H206 IonicContact OD2-ND1 3.73Å
205	I	86.3	Confident	87.7	Confident	44 Å²	44	59.5 Å²	59.5	23%	0.226	33%	0.328	C	S	.	.			trans	-121.5	113.6	-179.7	-58	175.9	0	0	0	107	P58 S61 V198 V203	P58-I205 HydrophobicContact CB-CG1 4.21Å; P58-I205 HydrophobicContact CG-CG1 4.33Å; S61-I205 WeakPolarHBondContact OG-CG2 3.38Å; V198-I205 HydrophobicContact CB-CD1 4.12Å; V198-I205 HydrophobicContact CG1-CD1 4.45Å; V198-I205 HydrophobicContact CG2-CD1 4.17Å; V203-I205 HydrophobicContact CG1-CG1 4.19Å
206	H	85.1	Confident	88	Confident	125 Å²	125	57 Å²	57	58%	0.579	32%	0.318	S	S	*	.			trans	-76.4	151.9	179.3	-52.3	-42.8	0	0	0	111.1	N60 S61 D204	N60-H206 CarbonylContact C-O 3.54Å; N60-H206 VanDerWaalsContact CA-O 3.25Å; N60-H206 WeakPolarHBondContact CA-O 3.49Å; N60-H206 WeakPolarHBondContact CB-O 3.44Å; S61-H206 PolarHBondContact N-O 3.33Å; D204-H206 IonicContact OD1-CE1 3.76Å; D204-H206 IonicContact OD1-ND1 3.52Å; D204-H206 IonicContact OD2-CE1 3.31Å; D204-H206 PolarHBondContact OD2-CE1 2.88Å; D204-H206 VanDerWaalsContact OD2-CE1 3.25Å; D204-H206 IonicContact OD2-ND1 3.73Å
207	C	78.9	Confident	88.3	Confident	111 Å²	111	55.8 Å²	55.8	75%	0.75	31%	0.313	S	S	*	.			trans	-70.3	-31.4	-176	-65.2	0	0	0	0	114	E62	E62-C207 WeakPolarHBondContact CB-O 3.33Å; E62-C207 PolarHBondContact N-O 3.23Å
208	G	82.3	Confident	88.6	Confident	31 Å²	31	55.8 Å²	55.8	32%	0.32	31%	0.313	S	S	.	.			trans	139.2	-179.5	-174.9	0	0	0	0	0	112.4
209	E	87.8	Confident	88.9	Confident	38 Å²	38	54.5 Å²	54.5	18%	0.178	31%	0.305	C	S	.	.			trans	-116	144.3	175.3	-59.5	-173.9	176.5	0	0	110.2	R88 L211 L246 R264	R88-E209 IonicContact CZ-OE1 3.85Å; R88-E209 IonicContact CZ-OE2 3.35Å; R88-E209 VanDerWaalsContact CZ-OE2 3.32Å; R88-E209 IonicContact NH1-OE2 2.81Å; R88-E209 PolarHBondContact NH1-OE2 3.36Å; R88-E209 IonicContact NH2-OE1 3.52Å; R88-E209 PolarHBondContact NH2-OE1 3.49Å; R88-E209 IonicContact NH2-OE2 3.59Å; R88-E209 PolarHBondContact NH2-OE2 3.41Å; E209-L211 PolarHBondContact O-N 2.76Å; E209-L246 HydrophobicContact CB-CD1 4.49Å; E209-L246 HydrophobicContact CG-CD1 3.66Å; E209-R264 IonicContact OE2-CZ 2.78Å; E209-R264 IonicContact OE2-NE 3.25Å
210	P	88.5	Confident	89.3	Confident	41 Å²	41	49 Å²	49	27%	0.266	28%	0.279	S	S	.	.			trans	-57.2	129.3	178.7	-23.7	33.2	0	0	0	112.1	Q212 R264	P210-Q212 VanDerWaalsContact C-N 3.28Å; P210-Q212 PolarHBondContact O-N 2.83Å; P210-R264 WeakPolarHBondContact O-CD 3.26Å; P210-R264 PolarHBondContact O-NH1 3.12Å
211	L	87.3	Confident	89.5	Confident	126 Å²	126	45.3 Å²	45.3	66%	0.66	26%	0.259	S	S	*	.	S	Bend	trans	-65.1	-30.1	-179.3	-66.9	174.5	0	0	0	113.4	E209 I213	E209-L211 PolarHBondContact O-N 2.76Å; L211-I213 PolarHBondContact O-N 2.94Å
212	Q	91.7	Very high	89	Confident	100 Å²	100	45 Å²	45	47%	0.467	26%	0.259	S	S	.	.			trans	-71.8	124.9	177.9	176.8	179.8	-17.7	0	0	110.7	P210 D214 G263 R264	P210-Q212 VanDerWaalsContact C-N 3.28Å; P210-Q212 PolarHBondContact O-N 2.83Å; Q212-D214 WeakPolarHBondContact CG-OD1 3.46Å; Q212-D214 PolarHBondContact NE2-OD1 3.26Å; Q212-G263 CarbonylContact O-C 3.57Å; Q212-G263 WeakPolarHBondContact O-CA 3.43Å; Q212-R264 PolarHBondContact O-N 2.99Å
213	I	95.4	Very high	88.1	Confident	19 Å²	19	40 Å²	40	10%	0.097	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.4	174.7	-54.3	174.2	0	0	0	108.8	L211 R264 E266 F334 F341	L211-I213 PolarHBondContact O-N 2.94Å; I213-R264 WeakPolarHBondContact CA-O 3.49Å; I213-R264 HydrophobicContact CG1-CG 4.43Å; I213-E266 HydrophobicContact CD1-CB 4.37Å; I213-E266 HydrophobicContact CD1-CG 4.46Å; I213-E266 HydrophobicContact CG2-CB 3.6Å; I213-F334 HydrophobicContact CD1-CE2 3.71Å; I213-F334 HydrophobicContact CD1-CZ 3.81Å; I213-F334 HydrophobicContact CG2-CZ 4.1Å; I213-F341 HydrophobicContact CB-CD2 4.24Å; I213-F341 HydrophobicContact CB-CE2 4.45Å; I213-F341 HydrophobicContact CG2-CD2 4.15Å; I213-F341 HydrophobicContact CG2-CE2 3.91Å
214	D	95.6	Very high	86.9	Confident	11 Å²	11	37.6 Å²	37.6	6%	0.059	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-26.6	-176.7	-57.8	-36.6	0	0	0	112.8	Q212 I262 G263 R264 G343 Y699 Q702	Q212-D214 WeakPolarHBondContact CG-OD1 3.46Å; Q212-D214 PolarHBondContact NE2-OD1 3.26Å; D214-I262 WeakPolarHBondContact OD2-CA 3.25Å; D214-G263 PolarHBondContact OD1-N 3.38Å; D214-G263 WeakPolarHBondContact OD2-CA 3.38Å; D214-G263 PolarHBondContact OD2-N 3.49Å; D214-R264 PolarHBondContact N-O 2.91Å; D214-R264 PolarHBondContact OD2-N 2.97Å; D214-G343 WeakPolarHBondContact O-CA 3.39Å; D214-Y699 HydrophobicContact CB-CE1 4.16Å; D214-Y699 PolarHBondContact OD2-OH 2.98Å; D214-Q702 PolarHBondContact O-NE2 3.49Å
215	H	97.4	Very high	85.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	146.4	-176.4	-155.2	94	0	0	0	111	V265 E266 G344 S346 E500 I698	H215-V265 HydrophobicContact CB-CG1 4.26Å; H215-V265 HydrophobicContact CB-CG2 4.22Å; H215-E266 PolarHBondContact O-N 3.23Å; H215-G344 PolarHBondContact CD2-O 3.5Å; H215-G344 VanDerWaalsContact CE1-CA 3.47Å; H215-G344 WeakPolarHBondContact CE1-CA 3.24Å; H215-G344 PolarHBondContact ND1-O 3.36Å; H215-S346 WeakPolarHBondContact NE2-CB 3.48Å; H215-S346 PolarHBondContact NE2-N 2.83Å; H215-S346 PolarHBondContact NE2-OG 2.77Å; H215-E500 IonicContact CE1-OE2 3.03Å; H215-E500 PolarHBondContact CE1-OE2 2.88Å; H215-I698 HydrophobicContact CB-CG2 3.62Å; H215-I698 VanDerWaalsContact CG-CG2 3.47Å
216	L	97.9	Very high	83.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.2	177.1	177.5	64.2	0	0	0	110.5	F218 E266 L268 Y331 F334 F341 G344 V345 S346	L216-F218 HydrophobicContact CD2-CE1 4.28Å; L216-F218 HydrophobicContact CD2-CE2 3.72Å; L216-F218 HydrophobicContact CD2-CZ 3.52Å; L216-F218 HydrophobicContact CG-CE2 4.23Å; L216-F218 HydrophobicContact CG-CZ 4.22Å; L216-E266 CarbonylContact C-O 3.56Å; L216-E266 HydrophobicContact CD1-CB 4.18Å; L216-E266 HydrophobicContact CD1-CG 4.2Å; L216-L268 HydrophobicContact CD1-CD1 3.69Å; L216-L268 HydrophobicContact CD1-CG 3.81Å; L216-Y331 HydrophobicContact CD2-CD2 4.01Å; L216-Y331 HydrophobicContact CD2-CE2 4.48Å; L216-F334 HydrophobicContact CB-CE1 4.46Å; L216-F334 HydrophobicContact CD1-CD2 4.18Å; L216-F334 HydrophobicContact CD1-CE2 4.08Å; L216-F334 HydrophobicContact CD1-CG 4.46Å; L216-F334 HydrophobicContact CD1-CZ 4.28Å; L216-F334 HydrophobicContact CD2-CD1 3.7Å; L216-F334 HydrophobicContact CD2-CE1 3.97Å; L216-F334 HydrophobicContact CD2-CG 4Å; L216-F334 HydrophobicContact CD2-CZ 4.49Å; L216-F341 HydrophobicContact CB-CE2 4.48Å; L216-F341 HydrophobicContact CB-CZ 3.88Å; L216-G344 PolarHBondContact N-O 3.46Å; L216-V345 HydrophobicContact CB-CG2 4.47Å; L216-V345 HydrophobicContact CD2-CG1 4.44Å; L216-V345 CarbonylContact O-C 3.57Å; L216-V345 VanDerWaalsContact O-CA 3.31Å; L216-V345 WeakPolarHBondContact O-CA 3.41Å; L216-S346 PolarHBondContact O-N 2.79Å
217	V	98.4	Very high	82.3	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	117.5	176.7	-174.1	0	0	0	0	110.3	V219 V265 E266 F267 L268 S346 A348 I698	V217-V219 HydrophobicContact CG1-CG2 4.35Å; V217-V265 HydrophobicContact CG2-CG1 3.62Å; V217-E266 PolarHBondContact N-O 3.05Å; V217-F267 HydrophobicContact CB-CD1 3.59Å; V217-F267 HydrophobicContact CB-CE1 3.85Å; V217-F267 HydrophobicContact CB-CG 4.38Å; V217-F267 HydrophobicContact CG1-CD1 3.86Å; V217-F267 HydrophobicContact CG1-CE1 4.06Å; V217-F267 HydrophobicContact CG2-CD1 4.04Å; V217-F267 HydrophobicContact CG2-CE1 3.79Å; V217-F267 HydrophobicContact CG2-CZ 4.46Å; V217-F267 WeakPolarHBondContact O-CA 3.33Å; V217-L268 PolarHBondContact O-N 3.46Å; V217-S346 VanDerWaalsContact CA-O 3.32Å; V217-S346 WeakPolarHBondContact CA-O 3.32Å; V217-A348 HydrophobicContact CG1-CB 4.02Å; V217-I698 HydrophobicContact CG2-CD1 3.71Å
218	F	98.1	Very high	81.2	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	125	170.1	-68.3	-68.8	0	0	0	110.6	L216 L268 V270 M327 I330 Y331 V345 S346 I347 A348 Y497	L216-F218 HydrophobicContact CD2-CE1 4.28Å; L216-F218 HydrophobicContact CD2-CE2 3.72Å; L216-F218 HydrophobicContact CD2-CZ 3.52Å; L216-F218 HydrophobicContact CG-CE2 4.23Å; L216-F218 HydrophobicContact CG-CZ 4.22Å; F218-L268 HydrophobicContact CD1-CB 4.29Å; F218-L268 HydrophobicContact CE1-CB 4.42Å; F218-L268 HydrophobicContact CE1-CD1 4.36Å; F218-V270 HydrophobicContact CB-CG2 4.04Å; F218-V270 HydrophobicContact CD1-CG2 4.1Å; F218-V270 HydrophobicContact CG-CG2 4.47Å; F218-M327 HydrophobicContact CB-CE 4.36Å; F218-I330 HydrophobicContact CD1-CG2 4.41Å; F218-I330 HydrophobicContact CE1-CB 3.9Å; F218-I330 HydrophobicContact CE1-CG2 3.6Å; F218-Y331 HydrophobicContact CE2-CD2 4.08Å; F218-Y331 HydrophobicContact CZ-CD2 4.07Å; F218-Y331 HydrophobicContact CZ-CG 4.37Å; F218-V345 HydrophobicContact CD2-CG1 3.79Å; F218-V345 HydrophobicContact CE2-CG1 3.66Å; F218-S346 PolarHBondContact N-O 2.8Å; F218-I347 HydrophobicContact CB-CG2 4.32Å; F218-I347 CarbonylContact O-C 3.52Å; F218-I347 WeakPolarHBondContact O-CA 3.31Å; F218-A348 PolarHBondContact O-N 3.19Å; F218-Y497 HydrophobicContact CD2-CE1 4.4Å; F218-Y497 AromaticContact CD2-CE2 3.96Å; F218-Y497 HydrophobicContact CD2-CE2 3.96Å; F218-Y497 AromaticContact CD2-CZ 3.57Å; F218-Y497 WeakPolarHBondContact CD2-OH 3.31Å; F218-Y497 AromaticContact CE2-CE1 3.81Å; F218-Y497 HydrophobicContact CE2-CE1 3.81Å; F218-Y497 AromaticContact CE2-CE2 3.93Å; F218-Y497 HydrophobicContact CE2-CE2 3.93Å; F218-Y497 AromaticContact CE2-CZ 3.4Å; F218-Y497 WeakPolarHBondContact CE2-OH 3.48Å; F218-Y497 HydrophobicContact CZ-CE1 4.49Å
219	V	96.2	Very high	79.8	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.024	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.3	-178.7	-174.6	0	0	0	0	109.6	V217 I234 V238 F267 L268 V270 A348 W685	V217-V219 HydrophobicContact CG1-CG2 4.35Å; V219-I234 HydrophobicContact CG1-CD1 4.27Å; V219-V238 HydrophobicContact CB-CG2 3.91Å; V219-V238 HydrophobicContact CG1-CG2 3.82Å; V219-V238 HydrophobicContact CG2-CG2 4.15Å; V219-F267 HydrophobicContact CG2-CB 4.35Å; V219-F267 HydrophobicContact CG2-CD1 4.29Å; V219-L268 PolarHBondContact N-O 2.88Å; V219-V270 PolarHBondContact O-N 2.88Å; V219-A348 CarbonylContact C-O 3.54Å; V219-A348 WeakPolarHBondContact CA-O 3.4Å; V219-A348 HydrophobicContact CG2-CB 4.37Å; V219-W685 HydrophobicContact CG1-CH2 3.51Å; V219-W685 HydrophobicContact CG1-CZ3 3.52Å
220	V	93.2	Very high	78.3	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.2	176.3	-174.5	0	0	0	0	108.5	V270 V323 M327 A348 G349 H350 L357	V220-V270 HydrophobicContact CG2-CB 3.93Å; V220-V270 HydrophobicContact CG2-CG1 4.32Å; V220-V270 HydrophobicContact CG2-CG2 3.93Å; V220-V323 HydrophobicContact CG1-CG1 4.08Å; V220-V323 HydrophobicContact CG2-CG1 4.22Å; V220-M327 HydrophobicContact CG2-SD 3.95Å; V220-A348 PolarHBondContact N-O 3.13Å; V220-G349 CarbonylContact O-C 3.48Å; V220-G349 VanDerWaalsContact O-CA 3.28Å; V220-G349 WeakPolarHBondContact O-CA 3.46Å; V220-H350 PolarHBondContact O-N 2.99Å; V220-L357 HydrophobicContact CB-CD1 3.97Å; V220-L357 HydrophobicContact CB-CD2 4.41Å; V220-L357 HydrophobicContact CB-CG 4.13Å; V220-L357 HydrophobicContact CG2-CD1 3.93Å; V220-L357 HydrophobicContact CG2-CD2 3.77Å; V220-L357 HydrophobicContact CG2-CG 4.02Å
221	H	87.3	Confident	77	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.019	18%	0.179	C	C	.	.			trans	-84.1	169.5	172	71.7	105.5	0	0	0	111.5	G224 C227 I234 W272 G353	H221-G224 PolarHBondContact CE1-O 3.3Å; H221-C227 PolarHBondContact ND1-SG 2.79Å; H221-C227 VanDerWaalsContact ND1-SG 3.37Å; H221-I234 HydrophobicContact CB-CB 4.42Å; H221-I234 HydrophobicContact CB-CD1 3.67Å; H221-I234 HydrophobicContact CB-CG1 4.01Å; H221-I234 VanDerWaalsContact CD2-CB 3.49Å; H221-I234 WeakPolarHBondContact CD2-CB 3.46Å; H221-W272 PolarHBondContact O-NE1 3.13Å; H221-W272 VanDerWaalsContact O-NE1 3.09Å; H221-G353 WeakPolarHBondContact O-CA 3.22Å
222	G	74.5	Confident	76.3	Confident	6 Å²	6	31 Å²	31	6%	0.062	15%	0.152	C	C	.	.			trans	-63.4	-174.6	168.9	0	0	0	0	0	112.9	H350	G222-H350 PolarHBondContact N-O 2.93Å; G222-H350 VanDerWaalsContact N-O 3.1Å
223	I	62.5	Low	75.9	Confident	5 Å²	5	28.3 Å²	28.3	3%	0.026	15%	0.145	C	C	.	.	S	Bend	trans	-74.6	158.6	169.8	-60.2	160.8	0	0	0	107.1	W272 H273 L276 D306 F309 I319 L352	I223-W272 HydrophobicContact CB-CH2 4.23Å; I223-W272 HydrophobicContact CD1-CH2 3.74Å; I223-W272 HydrophobicContact CD1-CZ3 4.3Å; I223-W272 HydrophobicContact CG1-CH2 2.99Å; I223-W272 HydrophobicContact CG1-CZ2 3.63Å; I223-W272 HydrophobicContact CG1-CZ3 3.66Å; I223-H273 WeakPolarHBondContact CG2-NE2 3.24Å; I223-L276 HydrophobicContact CD1-CD2 4.46Å; I223-D306 HydrophobicContact CB-CB 3.63Å; I223-D306 WeakPolarHBondContact CB-OD1 3.37Å; I223-D306 VanDerWaalsContact CB-OD2 3.27Å; I223-D306 WeakPolarHBondContact CB-OD2 3.49Å; I223-D306 HydrophobicContact CD1-CB 3.91Å; I223-D306 HydrophobicContact CG1-CB 4.21Å; I223-D306 HydrophobicContact CG2-CB 4.18Å; I223-D306 WeakPolarHBondContact CG2-OD1 3.3Å; I223-F309 HydrophobicContact CD1-CB 4.3Å; I223-I319 HydrophobicContact CD1-CD1 4.02Å; I223-L352 HydrophobicContact CB-CD2 4.36Å; I223-L352 HydrophobicContact CD1-CD2 3.36Å; I223-L352 HydrophobicContact CG1-CD2 3.69Å
224	G	57.7	Low	75.4	Confident	3 Å²	3	27.6 Å²	27.6	3%	0.031	14%	0.141	C	C	.	.	S	Bend	trans	116.5	135.4	-170.5	0	0	0	0	0	112.6	H221 A226 H273	H221-G224 PolarHBondContact CE1-O 3.3Å; G224-A226 PolarHBondContact O-N 2.87Å; G224-H273 VanDerWaalsContact C-NE2 3.35Å; G224-H273 WeakPolarHBondContact CA-NE2 3.39Å; G224-H273 PolarHBondContact N-CD2 2.86Å; G224-H273 PolarHBondContact N-NE2 3.04Å
225	P	51.4	Low	75.1	Confident	85 Å²	85	27.5 Å²	27.5	55%	0.552	14%	0.141	S	C	*	.	S	Bend	trans	-72.8	-16.1	172.7	32	-31.5	0	0	0	111.7	H273	P225-H273 WeakPolarHBondContact CD-CE1 3.35Å
226	A	53.9	Low	74.6	Confident	16 Å²	16	30.5 Å²	30.5	13%	0.132	16%	0.155	C	C	.	.			trans	-106.3	137.8	177.9	0	0	0	0	0	110.5	G224 F231 R232	G224-A226 PolarHBondContact O-N 2.87Å; A226-F231 HydrophobicContact CB-CB 4.15Å; A226-F231 HydrophobicContact CB-CD1 4.05Å; A226-R232 CarbonylContact C-O 3.56Å; A226-R232 VanDerWaalsContact CA-O 3.28Å; A226-R232 WeakPolarHBondContact CA-O 3.42Å
227	C	53.3	Low	74.2	Confident	5 Å²	5	30.5 Å²	30.5	3%	0.034	16%	0.155	C	C	.	.			trans	-116.4	1.1	-177.9	-59.7	0	0	0	0	113.1	H221 R232 I234 C237 L682 W685	H221-C227 PolarHBondContact ND1-SG 2.79Å; H221-C227 VanDerWaalsContact ND1-SG 3.37Å; C227-R232 PolarHBondContact N-O 3.34Å; C227-I234 HydrophobicContact CB-CD1 4.45Å; C227-I234 WeakPolarHBondContact SG-CA 3.29Å; C227-I234 WeakPolarHBondContact SG-CB 3.5Å; C227-I234 PolarHBondContact SG-N 3.45Å; C227-C237 HydrophobicContact CB-CB 4.42Å; C227-L682 WeakPolarHBondContact O-CD2 3.39Å; C227-W685 PolarHBondContact O-NE1 3.26Å
228	D	55.3	Low	73.9	Confident	14 Å²	14	30.6 Å²	30.6	8%	0.075	16%	0.155	C	C	.	.	S	Bend	trans	-152.1	176.5	176.6	82.3	-11.8	0	0	0	113.5	R230 F231 R232 L682	D228-R230 PolarHBondContact O-N 3.25Å; D228-R230 VanDerWaalsContact O-N 3.08Å; D228-R230 WeakPolarHBondContact OD1-CA 3.31Å; D228-R230 WeakPolarHBondContact OD1-CB 3.42Å; D228-R230 PolarHBondContact OD1-N 3.36Å; D228-R230 IonicContact OD2-NE 3.85Å; D228-R230 PolarHBondContact OD2-NE 2.99Å; D228-F231 PolarHBondContact O-N 2.88Å; D228-F231 PolarHBondContact OD1-N 3.45Å; D228-R232 WeakPolarHBondContact OD1-CB 3.35Å; D228-R232 PolarHBondContact OD1-N 3.12Å; D228-R232 IonicContact OD1-NE 4Å; D228-R232 IonicContact OD2-CZ 2.94Å; D228-R232 IonicContact OD2-NE 3.25Å; D228-R232 PolarHBondContact OD2-NE 3.39Å; D228-R232 IonicContact OD2-NH2 3.94Å; D228-R232 PolarHBondContact OD2-NH2 3.32Å; D228-L682 HydrophobicContact CB-CB 4.38Å
229	L	53.3	Low	73.6	Confident	76 Å²	76	32.6 Å²	32.6	40%	0.398	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-15	-179.7	-84.9	176.6	0	0	0	114.1	F231 L678 Q679 L682	L229-F231 VanDerWaalsContact C-N 3.32Å; L229-L678 HydrophobicContact CD1-CG 4.47Å; L229-L678 HydrophobicContact CD2-CD1 4.18Å; L229-L678 HydrophobicContact CD2-CD2 3.35Å; L229-L678 HydrophobicContact CD2-CG 3.38Å; L229-L678 HydrophobicContact CG-CG 4.23Å; L229-Q679 HydrophobicContact CD1-CB 3.88Å; L229-Q679 HydrophobicContact CD1-CG 4.22Å; L229-L682 HydrophobicContact CB-CD1 4.44Å; L229-L682 HydrophobicContact CD2-CD1 4.14Å; L229-L682 HydrophobicContact CG-CD1 3.73Å
230	R	54.8	Low	73.3	Confident	143 Å²	143	34.7 Å²	34.7	54%	0.54	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	7.6	179.4	-60.8	-173.2	-79.1	178.2	-14	111.7	D228 R232 D240 E686	D228-R230 PolarHBondContact O-N 3.25Å; D228-R230 VanDerWaalsContact O-N 3.08Å; D228-R230 WeakPolarHBondContact OD1-CA 3.31Å; D228-R230 WeakPolarHBondContact OD1-CB 3.42Å; D228-R230 PolarHBondContact OD1-N 3.36Å; D228-R230 IonicContact OD2-NE 3.85Å; D228-R230 PolarHBondContact OD2-NE 2.99Å; R230-R232 HydrophobicContact CB-CG 3.82Å; R230-R232 VanDerWaalsContact NH2-NH1 3.12Å; R230-R232 PolarHBondContact O-N 2.96Å; R230-D240 IonicContact NH2-OD2 2.94Å; R230-E686 IonicContact CZ-OE1 3.96Å; R230-E686 IonicContact NH2-OE1 2.88Å; R230-E686 PolarHBondContact NH2-OE1 2.99Å
231	F	62.7	Low	73.3	Confident	131 Å²	131	34.9 Å²	34.9	58%	0.575	18%	0.178	S	C	*	.			trans	58.3	32.2	-177.7	-57.4	-81	0	0	0	113.2	A226 D228 L229 H298	A226-F231 HydrophobicContact CB-CB 4.15Å; A226-F231 HydrophobicContact CB-CD1 4.05Å; D228-F231 PolarHBondContact O-N 2.88Å; D228-F231 PolarHBondContact OD1-N 3.45Å; L229-F231 VanDerWaalsContact C-N 3.32Å; F231-H298 HydrophobicContact CE1-CB 4.45Å
232	R	72.5	Confident	73.7	Confident	28 Å²	28	35.3 Å²	35.3	11%	0.106	18%	0.18	C	C	.	.			trans	-83.5	150.4	-177.9	-67.1	-171.8	-54	153.7	4.8	112.1	A226 C227 D228 R230 Q236 D240 E686	A226-R232 CarbonylContact C-O 3.56Å; A226-R232 VanDerWaalsContact CA-O 3.28Å; A226-R232 WeakPolarHBondContact CA-O 3.42Å; C227-R232 PolarHBondContact N-O 3.34Å; D228-R232 WeakPolarHBondContact OD1-CB 3.35Å; D228-R232 PolarHBondContact OD1-N 3.12Å; D228-R232 IonicContact OD1-NE 4Å; D228-R232 IonicContact OD2-CZ 2.94Å; D228-R232 IonicContact OD2-NE 3.25Å; D228-R232 PolarHBondContact OD2-NE 3.39Å; D228-R232 IonicContact OD2-NH2 3.94Å; D228-R232 PolarHBondContact OD2-NH2 3.32Å; R230-R232 HydrophobicContact CB-CG 3.82Å; R230-R232 VanDerWaalsContact NH2-NH1 3.12Å; R230-R232 PolarHBondContact O-N 2.96Å; R232-Q236 VanDerWaalsContact CA-OE1 3.29Å; R232-Q236 HydrophobicContact CB-CB 4.11Å; R232-D240 IonicContact CZ-OD2 3.17Å; R232-D240 VanDerWaalsContact CZ-OD2 3.27Å; R232-D240 IonicContact NH1-OD1 3.78Å; R232-D240 IonicContact NH1-OD2 3.93Å; R232-D240 PolarHBondContact NH1-OD2 2.99Å; R232-D240 IonicContact NH2-OD2 3.93Å; R232-D240 PolarHBondContact NH2-OD2 3.3Å; R232-E686 IonicContact NH2-OE1 3.23Å; R232-E686 PolarHBondContact NH2-OE1 3.49Å
233	S	81.8	Confident	74.5	Confident	44 Å²	44	38.1 Å²	38.1	31%	0.308	20%	0.198	S	C	.	.			trans	-71.7	159.4	177.3	71.6	0	0	0	0	112.2	V235 Q236 C237	S233-V235 PolarHBondContact O-N 2.84Å; S233-V235 VanDerWaalsContact O-N 3.16Å; S233-Q236 VanDerWaalsContact N-OE1 3.1Å; S233-Q236 WeakPolarHBondContact O-CB 3.34Å; S233-Q236 PolarHBondContact O-N 2.98Å; S233-Q236 PolarHBondContact OG-N 3.1Å; S233-C237 PolarHBondContact O-N 2.78Å; S233-C237 VanDerWaalsContact O-N 3.13Å
234	I	85.9	Confident	76	Confident	4 Å²	4	39 Å²	39	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-55.1	-35.7	175	-173.6	52.7	0	0	0	112.2	V219 H221 C227 Q236 C237 V238 P269 W685	V219-I234 HydrophobicContact CG1-CD1 4.27Å; H221-I234 HydrophobicContact CB-CB 4.42Å; H221-I234 HydrophobicContact CB-CD1 3.67Å; H221-I234 HydrophobicContact CB-CG1 4.01Å; H221-I234 VanDerWaalsContact CD2-CB 3.49Å; H221-I234 WeakPolarHBondContact CD2-CB 3.46Å; C227-I234 HydrophobicContact CB-CD1 4.45Å; C227-I234 WeakPolarHBondContact SG-CA 3.29Å; C227-I234 WeakPolarHBondContact SG-CB 3.5Å; C227-I234 PolarHBondContact SG-N 3.45Å; I234-Q236 VanDerWaalsContact C-N 3.3Å; I234-Q236 PolarHBondContact O-N 3.21Å; I234-C237 HydrophobicContact CD1-CB 4.46Å; I234-C237 PolarHBondContact O-N 3.25Å; I234-V238 HydrophobicContact CD1-CG2 3.83Å; I234-V238 HydrophobicContact CG1-CG2 4.07Å; I234-V238 WeakPolarHBondContact O-CB 3.45Å; I234-V238 WeakPolarHBondContact O-CG2 3.45Å; I234-V238 PolarHBondContact O-N 2.92Å; I234-P269 HydrophobicContact CG1-CB 3.95Å; I234-P269 HydrophobicContact CG2-CB 4.08Å; I234-W685 HydrophobicContact CD1-CH2 3.68Å; I234-W685 HydrophobicContact CD1-CZ2 3.81Å; I234-W685 HydrophobicContact CD1-CZ3 4.3Å
235	V	88.8	Confident	77.8	Confident	10 Å²	10	39 Å²	39	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-43.4	177.9	179.8	0	0	0	0	110.6	W103 S233 N239 P269	W103-V235 HydrophobicContact CB-CG2 4.48Å; W103-V235 HydrophobicContact CD2-CG1 4.21Å; W103-V235 HydrophobicContact CD2-CG2 4.01Å; W103-V235 HydrophobicContact CG-CG2 3.84Å; W103-V235 HydrophobicContact CH2-CG1 4.3Å; W103-V235 HydrophobicContact CZ2-CG1 3.56Å; S233-V235 PolarHBondContact O-N 2.84Å; S233-V235 VanDerWaalsContact O-N 3.16Å; V235-N239 WeakPolarHBondContact O-CB 3.33Å; V235-N239 PolarHBondContact O-N 2.91Å; V235-N239 PolarHBondContact O-ND2 3.48Å; V235-N239 PolarHBondContact O-OD1 3.14Å; V235-P269 HydrophobicContact CG2-CB 4.46Å; V235-P269 HydrophobicContact CG2-CG 3.98Å
236	Q	87.4	Confident	79.7	Confident	63 Å²	63	36.2 Å²	36.2	29%	0.294	18%	0.184	S	C	.	.	H	α-helix	trans	-67.4	-42.6	177.8	-68.6	174.5	-43.4	0	0	111.8	R232 S233 I234 V238 N239 D240	R232-Q236 VanDerWaalsContact CA-OE1 3.29Å; R232-Q236 HydrophobicContact CB-CB 4.11Å; S233-Q236 VanDerWaalsContact N-OE1 3.1Å; S233-Q236 WeakPolarHBondContact O-CB 3.34Å; S233-Q236 PolarHBondContact O-N 2.98Å; S233-Q236 PolarHBondContact OG-N 3.1Å; I234-Q236 VanDerWaalsContact C-N 3.3Å; I234-Q236 PolarHBondContact O-N 3.21Å; Q236-V238 PolarHBondContact O-N 2.91Å; Q236-N239 WeakPolarHBondContact O-CB 3.49Å; Q236-N239 PolarHBondContact O-N 2.82Å; Q236-D240 PolarHBondContact O-N 2.86Å; Q236-D240 VanDerWaalsContact O-N 3.16Å
237	C	88.6	Confident	81.5	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-41.3	176.5	-67.7	0	0	0	0	112.3	C227 S233 I234 N239 D240 F241 W685	C227-C237 HydrophobicContact CB-CB 4.42Å; S233-C237 PolarHBondContact O-N 2.78Å; S233-C237 VanDerWaalsContact O-N 3.13Å; I234-C237 HydrophobicContact CD1-CB 4.46Å; I234-C237 PolarHBondContact O-N 3.25Å; C237-N239 VanDerWaalsContact C-N 3.35Å; C237-D240 PolarHBondContact O-N 2.75Å; C237-F241 PolarHBondContact O-N 3.35Å; C237-F241 VanDerWaalsContact O-N 3.08Å; C237-W685 HydrophobicContact CB-CB 4.19Å; C237-W685 HydrophobicContact CB-CD2 3.81Å; C237-W685 HydrophobicContact CB-CE3 4.32Å; C237-W685 HydrophobicContact CB-CG 3.73Å
238	V	92.8	Very high	83.3	Confident	1 Å²	1	40 Å²	40	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-70.4	-30.4	176.5	176.5	0	0	0	0	111.9	V219 I234 Q236 F241 R242 F267 P269 W685	V219-V238 HydrophobicContact CB-CG2 3.91Å; V219-V238 HydrophobicContact CG1-CG2 3.82Å; V219-V238 HydrophobicContact CG2-CG2 4.15Å; I234-V238 HydrophobicContact CD1-CG2 3.83Å; I234-V238 HydrophobicContact CG1-CG2 4.07Å; I234-V238 WeakPolarHBondContact O-CB 3.45Å; I234-V238 WeakPolarHBondContact O-CG2 3.45Å; I234-V238 PolarHBondContact O-N 2.92Å; Q236-V238 PolarHBondContact O-N 2.91Å; V238-F241 PolarHBondContact O-N 3.27Å; V238-R242 PolarHBondContact O-N 3.48Å; V238-F267 HydrophobicContact CG1-CB 3.69Å; V238-F267 WeakPolarHBondContact CG1-O 3.2Å; V238-P269 HydrophobicContact CB-CB 4.4Å; V238-P269 HydrophobicContact CG2-CB 4.06Å; V238-W685 HydrophobicContact CG2-CZ3 4.46Å
239	N	91.8	Very high	85	Confident	43 Å²	43	39.4 Å²	39.4	23%	0.23	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-42	171.4	-71.5	-23.8	0	0	0	112.2	V235 Q236 C237 R242 S243	V235-N239 WeakPolarHBondContact O-CB 3.33Å; V235-N239 PolarHBondContact O-N 2.91Å; V235-N239 PolarHBondContact O-ND2 3.48Å; V235-N239 PolarHBondContact O-OD1 3.14Å; Q236-N239 WeakPolarHBondContact O-CB 3.49Å; Q236-N239 PolarHBondContact O-N 2.82Å; C237-N239 VanDerWaalsContact C-N 3.35Å; N239-R242 PolarHBondContact O-N 3.03Å; N239-R242 PolarHBondContact OD1-NH1 3.42Å; N239-R242 PolarHBondContact OD1-NH2 3.13Å; N239-S243 PolarHBondContact O-N 2.85Å; N239-S243 PolarHBondContact O-OG 3.04Å
240	D	90.9	Very high	86.6	Confident	47 Å²	47	41.2 Å²	41.2	25%	0.251	20%	0.204	S	C	.	.	H	α-helix	trans	-64	-45.6	174.9	-70	-5.7	0	0	0	110.4	R230 R232 Q236 C237 R242 S243 V244	R230-D240 IonicContact NH2-OD2 2.94Å; R232-D240 IonicContact CZ-OD2 3.17Å; R232-D240 VanDerWaalsContact CZ-OD2 3.27Å; R232-D240 IonicContact NH1-OD1 3.78Å; R232-D240 IonicContact NH1-OD2 3.93Å; R232-D240 PolarHBondContact NH1-OD2 2.99Å; R232-D240 IonicContact NH2-OD2 3.93Å; R232-D240 PolarHBondContact NH2-OD2 3.3Å; Q236-D240 PolarHBondContact O-N 2.86Å; Q236-D240 VanDerWaalsContact O-N 3.16Å; C237-D240 PolarHBondContact O-N 2.75Å; D240-R242 VanDerWaalsContact C-N 3.28Å; D240-R242 PolarHBondContact O-N 3.3Å; D240-S243 WeakPolarHBondContact O-CB 3.47Å; D240-S243 PolarHBondContact O-N 2.82Å; D240-S243 VanDerWaalsContact O-N 3.13Å; D240-V244 WeakPolarHBondContact O-CG2 3.3Å; D240-V244 PolarHBondContact O-N 3.47Å
241	F	93.3	Very high	88.2	Confident	5 Å²	5	38.8 Å²	38.8	2%	0.022	21%	0.205	C	C	.	.	H	α-helix	trans	-57.6	-41.3	177.2	-159.6	-82.4	0	0	0	111.7	C237 V238 S245 F267 F505 W685 V691 V694	C237-F241 PolarHBondContact O-N 3.35Å; C237-F241 VanDerWaalsContact O-N 3.08Å; V238-F241 PolarHBondContact O-N 3.27Å; F241-S245 VanDerWaalsContact O-CB 3.24Å; F241-S245 WeakPolarHBondContact O-CB 3.32Å; F241-S245 PolarHBondContact O-N 2.73Å; F241-F267 AromaticContact CD1-CD1 3.88Å; F241-F267 HydrophobicContact CD1-CD1 3.88Å; F241-F267 HydrophobicContact CD1-CD2 4.28Å; F241-F267 AromaticContact CD1-CE1 3.76Å; F241-F267 HydrophobicContact CD1-CE1 3.76Å; F241-F267 HydrophobicContact CD1-CE2 4.15Å; F241-F267 HydrophobicContact CD1-CG 4.15Å; F241-F267 AromaticContact CD1-CZ 3.9Å; F241-F267 HydrophobicContact CD1-CZ 3.9Å; F241-F267 AromaticContact CE1-CD1 3.91Å; F241-F267 HydrophobicContact CE1-CD1 3.91Å; F241-F267 AromaticContact CE1-CE1 3.36Å; F241-F267 HydrophobicContact CE1-CE1 3.36Å; F241-F267 HydrophobicContact CE1-CE2 4.23Å; F241-F267 AromaticContact CE1-CZ 3.54Å; F241-F267 HydrophobicContact CE1-CZ 3.54Å; F241-F267 HydrophobicContact CZ-CE1 4.42Å; F241-F505 HydrophobicContact CE2-CE2 4.47Å; F241-F505 HydrophobicContact CZ-CZ 4.47Å; F241-W685 HydrophobicContact CD2-CE3 4.29Å; F241-V691 HydrophobicContact CD1-CG1 4.45Å; F241-V691 HydrophobicContact CD1-CG2 4.14Å; F241-V691 HydrophobicContact CD2-CG2 3.63Å; F241-V691 HydrophobicContact CE1-CB 4.33Å; F241-V691 HydrophobicContact CE1-CG1 4.02Å; F241-V691 HydrophobicContact CE1-CG2 3.89Å; F241-V691 HydrophobicContact CE2-CB 4.38Å; F241-V691 HydrophobicContact CE2-CG2 3.39Å; F241-V691 HydrophobicContact CG-CG2 4.01Å; F241-V691 HydrophobicContact CZ-CB 4.08Å; F241-V691 HydrophobicContact CZ-CG1 4.27Å; F241-V691 HydrophobicContact CZ-CG2 3.54Å; F241-V694 HydrophobicContact CZ-CB 4.48Å; F241-V694 HydrophobicContact CZ-CG2 4.28Å
242	R	94.5	Very high	89.4	Confident	13 Å²	13	34.3 Å²	34.3	5%	0.049	19%	0.186	C	C	.	.	H	α-helix	trans	-63.2	-46.6	174.1	-85.3	-171	-98.3	96.8	3.6	112.5	V238 N239 D240 V244 S245 L246 F267	V238-R242 PolarHBondContact O-N 3.48Å; N239-R242 PolarHBondContact O-N 3.03Å; N239-R242 PolarHBondContact OD1-NH1 3.42Å; N239-R242 PolarHBondContact OD1-NH2 3.13Å; D240-R242 VanDerWaalsContact C-N 3.28Å; D240-R242 PolarHBondContact O-N 3.3Å; R242-V244 VanDerWaalsContact C-N 3.35Å; R242-V244 PolarHBondContact O-N 3.47Å; R242-S245 WeakPolarHBondContact O-CB 3.39Å; R242-S245 PolarHBondContact O-N 2.99Å; R242-L246 WeakPolarHBondContact O-CG 3.21Å; R242-L246 PolarHBondContact O-N 3.34Å; R242-F267 HydrophobicContact CG-CB 3.92Å; R242-F267 HydrophobicContact CG-CD2 3.78Å; R242-F267 HydrophobicContact CG-CG 4.28Å; R242-F267 PolarHBondContact NE-O 3.21Å
243	S	92.3	Very high	90.2	Very high	64 Å²	64	33 Å²	33	45%	0.448	18%	0.181	S	C	.	.	H	α-helix	trans	-59.4	-46.4	178	-56.7	0	0	0	0	111.5	N239 D240 L246 N247	N239-S243 PolarHBondContact O-N 2.85Å; N239-S243 PolarHBondContact O-OG 3.04Å; D240-S243 WeakPolarHBondContact O-CB 3.47Å; D240-S243 PolarHBondContact O-N 2.82Å; D240-S243 VanDerWaalsContact O-N 3.13Å; S243-L246 PolarHBondContact O-N 3.27Å; S243-N247 VanDerWaalsContact O-CG 3.27Å; S243-N247 PolarHBondContact O-N 2.78Å; S243-N247 VanDerWaalsContact O-N 3.1Å; S243-N247 PolarHBondContact O-ND2 2.96Å
244	V	93.5	Very high	90.5	Very high	24 Å²	24	36.3 Å²	36.3	15%	0.145	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-43.1	176.1	175.8	0	0	0	0	110.8	D240 R242 L246 N247 L248 E688 V691	D240-V244 WeakPolarHBondContact O-CG2 3.3Å; D240-V244 PolarHBondContact O-N 3.47Å; R242-V244 VanDerWaalsContact C-N 3.35Å; R242-V244 PolarHBondContact O-N 3.47Å; V244-L246 PolarHBondContact O-N 3.11Å; V244-N247 PolarHBondContact O-N 2.94Å; V244-L248 HydrophobicContact CG1-CD1 3.77Å; V244-L248 HydrophobicContact CG1-CG 4.3Å; V244-L248 VanDerWaalsContact O-CG 3.3Å; V244-L248 WeakPolarHBondContact O-CG 3.27Å; V244-L248 PolarHBondContact O-N 2.98Å; V244-E688 HydrophobicContact CG1-CB 4.34Å; V244-E688 HydrophobicContact CG1-CG 3.76Å; V244-V691 HydrophobicContact CB-CG2 4.2Å; V244-V691 HydrophobicContact CG1-CB 3.96Å; V244-V691 HydrophobicContact CG1-CG1 4.13Å; V244-V691 HydrophobicContact CG1-CG2 3.78Å
245	S	94.7	Very high	90.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-56.6	-52.3	176.7	171.6	0	0	0	0	111.5	F241 R242 N247 L248 L249 L695	F241-S245 VanDerWaalsContact O-CB 3.24Å; F241-S245 WeakPolarHBondContact O-CB 3.32Å; F241-S245 PolarHBondContact O-N 2.73Å; R242-S245 WeakPolarHBondContact O-CB 3.39Å; R242-S245 PolarHBondContact O-N 2.99Å; S245-N247 VanDerWaalsContact C-N 3.33Å; S245-N247 PolarHBondContact O-N 2.78Å; S245-L248 PolarHBondContact O-N 2.79Å; S245-L248 VanDerWaalsContact O-N 3.12Å; S245-L249 WeakPolarHBondContact O-CG 3.31Å; S245-L249 PolarHBondContact O-N 2.97Å; S245-L695 WeakPolarHBondContact OG-CD2 3.38Å
246	L	92.5	Very high	90.6	Very high	28 Å²	28	41.8 Å²	41.8	15%	0.147	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-41.4	179.8	-70.5	168.5	0	0	0	112.3	E209 R242 S243 V244 L248 L249 Q250 R264	E209-L246 HydrophobicContact CB-CD1 4.49Å; E209-L246 HydrophobicContact CG-CD1 3.66Å; R242-L246 WeakPolarHBondContact O-CG 3.21Å; R242-L246 PolarHBondContact O-N 3.34Å; S243-L246 PolarHBondContact O-N 3.27Å; V244-L246 PolarHBondContact O-N 3.11Å; L246-L248 VanDerWaalsContact C-N 3.32Å; L246-L248 PolarHBondContact O-N 2.79Å; L246-L249 HydrophobicContact CD2-CD1 4.44Å; L246-L249 PolarHBondContact O-N 2.69Å; L246-Q250 PolarHBondContact O-N 3.42Å; L246-R264 HydrophobicContact CD2-CB 4.09Å
247	N	91.3	Very high	90.6	Very high	95 Å²	95	41.6 Å²	41.6	51%	0.508	21%	0.213	S	C	.	.	H	α-helix	trans	-62.5	-39.2	175.6	-71.2	-26.6	0	0	0	112	S243 V244 S245 Q250 T251	S243-N247 VanDerWaalsContact O-CG 3.27Å; S243-N247 PolarHBondContact O-N 2.78Å; S243-N247 VanDerWaalsContact O-N 3.1Å; S243-N247 PolarHBondContact O-ND2 2.96Å; V244-N247 PolarHBondContact O-N 2.94Å; S245-N247 VanDerWaalsContact C-N 3.33Å; S245-N247 PolarHBondContact O-N 2.78Å; N247-Q250 PolarHBondContact O-N 2.79Å; N247-T251 WeakPolarHBondContact O-CG2 3.49Å; N247-T251 PolarHBondContact O-N 3.39Å; N247-T251 PolarHBondContact O-OG1 2.68Å
248	L	91	Very high	90.5	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-72.3	-30.2	178.8	-69.9	170.4	0	0	0	113	V244 S245 L246 Q250 T251 H252 H565 E688 V691 L692 L695	V244-L248 HydrophobicContact CG1-CD1 3.77Å; V244-L248 HydrophobicContact CG1-CG 4.3Å; V244-L248 VanDerWaalsContact O-CG 3.3Å; V244-L248 WeakPolarHBondContact O-CG 3.27Å; V244-L248 PolarHBondContact O-N 2.98Å; S245-L248 PolarHBondContact O-N 2.79Å; S245-L248 VanDerWaalsContact O-N 3.12Å; L246-L248 VanDerWaalsContact C-N 3.32Å; L246-L248 PolarHBondContact O-N 2.79Å; L248-Q250 VanDerWaalsContact C-N 3.32Å; L248-T251 WeakPolarHBondContact CA-OG1 3.47Å; L248-T251 PolarHBondContact O-N 3.34Å; L248-T251 PolarHBondContact O-OG1 2.82Å; L248-H252 WeakPolarHBondContact O-CB 3.39Å; L248-H252 PolarHBondContact O-N 2.92Å; L248-H565 HydrophobicContact CD2-CB 4.36Å; L248-E688 HydrophobicContact CD1-CB 4.48Å; L248-V691 HydrophobicContact CD1-CB 3.82Å; L248-V691 HydrophobicContact CD1-CG1 3.77Å; L248-L692 HydrophobicContact CD1-CB 4.04Å; L248-L695 HydrophobicContact CB-CD1 3.98Å
249	L	90.8	Very high	90.4	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-44.6	171.8	-63.6	178.8	0	0	0	111	S245 L246 T251 F253 I262 R264 L695 Y699	S245-L249 WeakPolarHBondContact O-CG 3.31Å; S245-L249 PolarHBondContact O-N 2.97Å; L246-L249 HydrophobicContact CD2-CD1 4.44Å; L246-L249 PolarHBondContact O-N 2.69Å; L249-T251 VanDerWaalsContact C-N 3.26Å; L249-T251 PolarHBondContact O-N 2.7Å; L249-F253 HydrophobicContact CD2-CD2 3.97Å; L249-F253 HydrophobicContact CD2-CE2 4.47Å; L249-F253 HydrophobicContact CD2-CG 4.49Å; L249-F253 CarbonylContact O-C 3.47Å; L249-F253 WeakPolarHBondContact O-CA 3.25Å; L249-F253 PolarHBondContact O-N 2.98Å; L249-I262 HydrophobicContact CD2-CD1 4.37Å; L249-R264 HydrophobicContact CD1-CB 4.42Å; L249-L695 HydrophobicContact CD2-CD1 3.94Å; L249-L695 HydrophobicContact CD2-CD2 4.19Å; L249-L695 HydrophobicContact CG-CD1 4.37Å; L249-Y699 HydrophobicContact CD2-CD2 4.45Å; L249-Y699 HydrophobicContact CD2-CE2 3.41Å; L249-Y699 VanDerWaalsContact CD2-CE2 3.41Å
250	Q	87.1	Confident	90.2	Very high	114 Å²	114	58.7 Å²	58.7	53%	0.533	30%	0.295	S	S	.	.	H	α-helix	trans	-66.4	-26.5	-179.3	-65.8	178.2	6.3	0	0	113.4	L246 N247 L248	L246-Q250 PolarHBondContact O-N 3.42Å; N247-Q250 PolarHBondContact O-N 2.79Å; L248-Q250 VanDerWaalsContact C-N 3.32Å
251	T	87.9	Confident	90	Very high	91 Å²	91	61.8 Å²	61.8	56%	0.558	31%	0.308	S	S	*	.	H	α-helix	trans	-99.4	-36.1	-175.8	57.5	0	0	0	0	113.5	N247 L248 L249	N247-T251 WeakPolarHBondContact O-CG2 3.49Å; N247-T251 PolarHBondContact O-N 3.39Å; N247-T251 PolarHBondContact O-OG1 2.68Å; L248-T251 WeakPolarHBondContact CA-OG1 3.47Å; L248-T251 PolarHBondContact O-N 3.34Å; L248-T251 PolarHBondContact O-OG1 2.82Å; L249-T251 VanDerWaalsContact C-N 3.26Å; L249-T251 PolarHBondContact O-N 2.7Å
252	H	87.8	Confident	89.9	Confident	38 Å²	38	61.9 Å²	61.9	18%	0.176	31%	0.309	C	S	.	.	H	α-helix	trans	-109	-14.8	-173	-69.1	-74.1	0	0	0	115	L248 H565 L692 L706 D707	L248-H252 WeakPolarHBondContact O-CB 3.39Å; L248-H252 PolarHBondContact O-N 2.92Å; H252-H565 PolarHBondContact CE1-O 3.02Å; H252-H565 PolarHBondContact NE2-O 3.44Å; H252-L692 HydrophobicContact CB-CD1 3.94Å; H252-L706 HydrophobicContact CB-CD2 3.85Å; H252-D707 WeakPolarHBondContact O-CB 3.1Å; H252-D707 PolarHBondContact O-N 2.78Å
253	F	89.3	Confident	89.8	Confident	1 Å²	1	61.4 Å²	61.4	0%	0.004	31%	0.308	C	S	.	.	S	Bend	trans	-126.7	27.9	178.7	-62.6	-91.3	0	0	0	111.8	L249 K255 A256 Q257 I262 L692 L695 Y699 I704 L706	L249-F253 HydrophobicContact CD2-CD2 3.97Å; L249-F253 HydrophobicContact CD2-CE2 4.47Å; L249-F253 HydrophobicContact CD2-CG 4.49Å; L249-F253 CarbonylContact O-C 3.47Å; L249-F253 WeakPolarHBondContact O-CA 3.25Å; L249-F253 PolarHBondContact O-N 2.98Å; F253-K255 VanDerWaalsContact C-N 3.32Å; F253-K255 PolarHBondContact O-N 3.45Å; F253-A256 PolarHBondContact O-N 2.9Å; F253-A256 VanDerWaalsContact O-N 3.14Å; F253-Q257 WeakPolarHBondContact O-CB 3.4Å; F253-Q257 PolarHBondContact O-N 2.91Å; F253-I262 HydrophobicContact CB-CD1 3.41Å; F253-I262 VanDerWaalsContact CB-CD1 3.41Å; F253-I262 HydrophobicContact CG-CD1 4.19Å; F253-L692 HydrophobicContact CE2-CD1 4.36Å; F253-L695 HydrophobicContact CE2-CB 4.12Å; F253-L695 HydrophobicContact CZ-CB 4.45Å; F253-Y699 HydrophobicContact CD1-CD2 4.3Å; F253-Y699 AromaticContact CE1-CD2 3.83Å; F253-Y699 HydrophobicContact CE1-CD2 3.83Å; F253-Y699 HydrophobicContact CE1-CG 4.19Å; F253-Y699 HydrophobicContact CE2-CD2 4.26Å; F253-Y699 AromaticContact CZ-CD2 3.8Å; F253-Y699 HydrophobicContact CZ-CD2 3.8Å; F253-I704 HydrophobicContact CD1-CG2 4.14Å; F253-I704 HydrophobicContact CE1-CG2 4.43Å; F253-L706 HydrophobicContact CD2-CD2 4.32Å; F253-L706 HydrophobicContact CE1-CD2 4.05Å; F253-L706 HydrophobicContact CE2-CD2 3.57Å; F253-L706 HydrophobicContact CZ-CD2 3.41Å; F253-L706 VanDerWaalsContact CZ-CD2 3.41Å; F253-L706 HydrophobicContact CZ-CG 4.17Å
254	K	88.3	Confident	89.9	Confident	113 Å²	113	58.7 Å²	58.7	49%	0.491	29%	0.288	S	S	.	.	H	α-helix	trans	-56.6	-43.5	-174.6	-176.6	172.3	171.5	175.2	0	112	A256 Q257 E258 D707	K254-A256 PolarHBondContact O-N 3.21Å; K254-Q257 PolarHBondContact O-N 3.32Å; K254-E258 WeakPolarHBondContact CE-OE1 3.47Å; K254-E258 HydrophobicContact CG-CG 4.28Å; K254-E258 IonicContact NZ-OE1 2.65Å; K254-E258 WeakPolarHBondContact O-CB 3.41Å; K254-E258 VanDerWaalsContact O-CG 3.32Å; K254-E258 WeakPolarHBondContact O-CG 3.28Å; K254-E258 PolarHBondContact O-N 2.92Å; K254-D707 PolarHBondContact N-OD2 3.43Å
255	K	88.4	Confident	90	Very high	121 Å²	121	57.8 Å²	57.8	53%	0.526	28%	0.282	S	S	.	.	H	α-helix	trans	-64.1	-42.6	179.3	-64	-179.2	-168.9	162.5	0	112.1	F253 Q257 N259 D707	F253-K255 VanDerWaalsContact C-N 3.32Å; F253-K255 PolarHBondContact O-N 3.45Å; K255-Q257 VanDerWaalsContact C-N 3.31Å; K255-N259 WeakPolarHBondContact O-CB 3.38Å; K255-N259 PolarHBondContact O-N 2.94Å; K255-N259 PolarHBondContact O-ND2 2.87Å; K255-N259 VanDerWaalsContact O-ND2 3.12Å; K255-D707 WeakPolarHBondContact CB-OD1 3.28Å; K255-D707 VanDerWaalsContact CD-OD1 3.27Å; K255-D707 WeakPolarHBondContact CD-OD1 3.42Å; K255-D707 WeakPolarHBondContact CG-OD1 3.2Å; K255-D707 PolarHBondContact N-OD2 3.46Å
256	A	88.6	Confident	90.1	Very high	7 Å²	7	57.8 Å²	57.8	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-37.9	178.1	0	0	0	0	0	111.1	F253 K254 Q260 Q261 I262 I704	F253-A256 PolarHBondContact O-N 2.9Å; F253-A256 VanDerWaalsContact O-N 3.14Å; K254-A256 PolarHBondContact O-N 3.21Å; A256-Q260 PolarHBondContact O-N 2.87Å; A256-Q261 HydrophobicContact CB-CB 4.48Å; A256-Q261 WeakPolarHBondContact O-CB 3.24Å; A256-Q261 PolarHBondContact O-N 2.9Å; A256-I262 HydrophobicContact CB-CD1 4.02Å; A256-I262 HydrophobicContact CB-CG1 4.05Å; A256-I262 HydrophobicContact CB-CG2 4.15Å; A256-I704 HydrophobicContact CB-CG2 3.96Å
257	Q	86.8	Confident	90.4	Very high	59 Å²	59	56.6 Å²	56.6	28%	0.276	28%	0.276	S	S	.	.	H	α-helix	trans	-69.7	-44	177.4	-167.8	175.8	-17.2	0	0	112.2	F253 K254 K255 N259 Q260 I262	F253-Q257 WeakPolarHBondContact O-CB 3.4Å; F253-Q257 PolarHBondContact O-N 2.91Å; K254-Q257 PolarHBondContact O-N 3.32Å; K255-Q257 VanDerWaalsContact C-N 3.31Å; Q257-N259 VanDerWaalsContact C-N 3.28Å; Q257-N259 PolarHBondContact O-N 3.39Å; Q257-Q260 PolarHBondContact O-N 2.98Å; Q257-I262 HydrophobicContact CB-CD1 4.2Å; Q257-I262 HydrophobicContact CB-CG1 4.03Å
258	E	88	Confident	90.6	Very high	127 Å²	127	52 Å²	52	59%	0.593	25%	0.252	S	S	*	.	H	α-helix	trans	-62.7	-35.5	175.6	-75	176.1	167.4	0	0	112.1	K254 Q260	K254-E258 WeakPolarHBondContact CE-OE1 3.47Å; K254-E258 HydrophobicContact CG-CG 4.28Å; K254-E258 IonicContact NZ-OE1 2.65Å; K254-E258 WeakPolarHBondContact O-CB 3.41Å; K254-E258 VanDerWaalsContact O-CG 3.32Å; K254-E258 WeakPolarHBondContact O-CG 3.28Å; K254-E258 PolarHBondContact O-N 2.92Å; E258-Q260 PolarHBondContact O-N 3.28Å
259	N	89.3	Confident	90.8	Very high	109 Å²	109	51.9 Å²	51.9	58%	0.583	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	3.9	174.4	-66.9	-25.1	0	0	0	113.6	K255 Q257 Q261	K255-N259 WeakPolarHBondContact O-CB 3.38Å; K255-N259 PolarHBondContact O-N 2.94Å; K255-N259 PolarHBondContact O-ND2 2.87Å; K255-N259 VanDerWaalsContact O-ND2 3.12Å; Q257-N259 VanDerWaalsContact C-N 3.28Å; Q257-N259 PolarHBondContact O-N 3.39Å; N259-Q261 HydrophobicContact CB-CG 3.82Å; N259-Q261 PolarHBondContact O-N 2.99Å
260	Q	87.3	Confident	90.9	Very high	167 Å²	167	51.7 Å²	51.7	78%	0.78	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	33.2	-177	-58.4	178.5	-11.4	0	0	113.4	A256 Q257 E258	A256-Q260 PolarHBondContact O-N 2.87Å; Q257-Q260 PolarHBondContact O-N 2.98Å; E258-Q260 PolarHBondContact O-N 3.28Å
261	Q	87.6	Confident	90.8	Very high	112 Å²	112	48.4 Å²	48.4	52%	0.523	24%	0.236	S	C	.	.			trans	-88.7	-22	178.5	-61.4	-177.9	-69.1	0	0	112.5	A256 N259 I704	A256-Q261 HydrophobicContact CB-CB 4.48Å; A256-Q261 WeakPolarHBondContact O-CB 3.24Å; A256-Q261 PolarHBondContact O-N 2.9Å; N259-Q261 HydrophobicContact CB-CG 3.82Å; N259-Q261 PolarHBondContact O-N 2.99Å; Q261-I704 HydrophobicContact CB-CD1 4.48Å
262	I	91.6	Very high	90.5	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.041	21%	0.21	C	C	.	.			trans	-129.3	145	178.1	63.3	172.2	0	0	0	110.5	D214 L249 F253 A256 Q257 Y699 I704	D214-I262 WeakPolarHBondContact OD2-CA 3.25Å; L249-I262 HydrophobicContact CD2-CD1 4.37Å; F253-I262 HydrophobicContact CB-CD1 3.41Å; F253-I262 VanDerWaalsContact CB-CD1 3.41Å; F253-I262 HydrophobicContact CG-CD1 4.19Å; A256-I262 HydrophobicContact CB-CD1 4.02Å; A256-I262 HydrophobicContact CB-CG1 4.05Å; A256-I262 HydrophobicContact CB-CG2 4.15Å; Q257-I262 HydrophobicContact CB-CD1 4.2Å; Q257-I262 HydrophobicContact CB-CG1 4.03Å; I262-Y699 HydrophobicContact CB-CE1 3.93Å; I262-Y699 HydrophobicContact CG2-CD1 3.86Å; I262-Y699 HydrophobicContact CG2-CE1 3.49Å; I262-Y699 VanDerWaalsContact CG2-CE1 3.49Å; I262-I704 HydrophobicContact CG2-CD1 3.33Å; I262-I704 HydrophobicContact CG2-CG2 4.26Å
263	G	91.5	Very high	89.6	Confident	3 Å²	3	42.8 Å²	42.8	3%	0.031	20%	0.203	C	C	.	.			trans	-104.2	-99.4	163.8	0	0	0	0	0	110.9	Q212 D214	Q212-G263 CarbonylContact O-C 3.57Å; Q212-G263 WeakPolarHBondContact O-CA 3.43Å; D214-G263 PolarHBondContact OD1-N 3.38Å; D214-G263 WeakPolarHBondContact OD2-CA 3.38Å; D214-G263 PolarHBondContact OD2-N 3.49Å
264	R	94.4	Very high	88.5	Confident	6 Å²	6	45.6 Å²	45.6	2%	0.023	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	158.4	-179.4	73.7	-178.3	-165.8	-120.8	0.9	113.5	G86 E209 P210 Q212 I213 D214 L246 L249 E266	G86-R264 PolarHBondContact O-NH2 2.86Å; E209-R264 IonicContact OE2-CZ 2.78Å; E209-R264 IonicContact OE2-NE 3.25Å; P210-R264 WeakPolarHBondContact O-CD 3.26Å; P210-R264 PolarHBondContact O-NH1 3.12Å; Q212-R264 PolarHBondContact O-N 2.99Å; I213-R264 WeakPolarHBondContact CA-O 3.49Å; I213-R264 HydrophobicContact CG1-CG 4.43Å; D214-R264 PolarHBondContact N-O 2.91Å; D214-R264 PolarHBondContact OD2-N 2.97Å; L246-R264 HydrophobicContact CD2-CB 4.09Å; L249-R264 HydrophobicContact CD1-CB 4.42Å; R264-E266 IonicContact CZ-OE2 3.5Å; R264-E266 VanDerWaalsContact CZ-OE2 3.27Å; R264-E266 IonicContact NE-OE2 2.72Å; R264-E266 PolarHBondContact NE-OE2 3.44Å; R264-E266 IonicContact NH2-OE2 2.85Å; R264-E266 PolarHBondContact NH2-OE2 3.27Å
265	V	96.7	Very high	87.2	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.03	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.3	164.5	179.9	0	0	0	0	108.6	H215 V217 F267 L695 I698 Y699	H215-V265 HydrophobicContact CB-CG1 4.26Å; H215-V265 HydrophobicContact CB-CG2 4.22Å; V217-V265 HydrophobicContact CG2-CG1 3.62Å; V265-F267 HydrophobicContact CB-CE2 3.83Å; V265-F267 HydrophobicContact CB-CZ 4.07Å; V265-F267 HydrophobicContact CG1-CD2 4.25Å; V265-F267 HydrophobicContact CG1-CE1 4.09Å; V265-F267 HydrophobicContact CG1-CE2 3.61Å; V265-F267 HydrophobicContact CG1-CZ 3.5Å; V265-F267 WeakPolarHBondContact O-CD2 3.38Å; V265-F267 WeakPolarHBondContact O-CE2 3.27Å; V265-L695 HydrophobicContact CB-CD2 4.09Å; V265-L695 HydrophobicContact CG2-CD2 3.69Å; V265-I698 HydrophobicContact CG1-CD1 3.95Å; V265-I698 HydrophobicContact CG2-CG2 4.12Å; V265-Y699 HydrophobicContact CG2-CE2 4.09Å
266	E	97	Very high	85.8	Confident	3 Å²	3	38.4 Å²	38.4	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.6	179.7	-172	63.5	-138.3	0	0	110.5	R88 I213 H215 L216 V217 R264 L268 F334	R88-E266 VanDerWaalsContact CD-OE1 3.27Å; R88-E266 WeakPolarHBondContact CD-OE1 3.2Å; R88-E266 IonicContact CZ-OE1 3.75Å; R88-E266 IonicContact NE-OE1 3.62Å; R88-E266 IonicContact NH1-OE1 3.06Å; R88-E266 PolarHBondContact NH1-OE1 3.29Å; R88-E266 IonicContact NH1-OE2 3.59Å; R88-E266 PolarHBondContact NH1-OE2 3.05Å; I213-E266 HydrophobicContact CD1-CB 4.37Å; I213-E266 HydrophobicContact CD1-CG 4.46Å; I213-E266 HydrophobicContact CG2-CB 3.6Å; H215-E266 PolarHBondContact O-N 3.23Å; L216-E266 CarbonylContact C-O 3.56Å; L216-E266 HydrophobicContact CD1-CB 4.18Å; L216-E266 HydrophobicContact CD1-CG 4.2Å; V217-E266 PolarHBondContact N-O 3.05Å; R264-E266 IonicContact CZ-OE2 3.5Å; R264-E266 VanDerWaalsContact CZ-OE2 3.27Å; R264-E266 IonicContact NE-OE2 2.72Å; R264-E266 PolarHBondContact NE-OE2 3.44Å; R264-E266 IonicContact NH2-OE2 2.85Å; R264-E266 PolarHBondContact NH2-OE2 3.27Å; E266-L268 HydrophobicContact CG-CD2 4.07Å; E266-L268 HydrophobicContact CG-CG 4.2Å; E266-F334 HydrophobicContact CG-CE2 4.19Å
267	F	97.4	Very high	84.4	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.3	178	-59.7	-94.2	0	0	0	110.1	V217 V219 V238 F241 R242 V265 V694	V217-F267 HydrophobicContact CB-CD1 3.59Å; V217-F267 HydrophobicContact CB-CE1 3.85Å; V217-F267 HydrophobicContact CB-CG 4.38Å; V217-F267 HydrophobicContact CG1-CD1 3.86Å; V217-F267 HydrophobicContact CG1-CE1 4.06Å; V217-F267 HydrophobicContact CG2-CD1 4.04Å; V217-F267 HydrophobicContact CG2-CE1 3.79Å; V217-F267 HydrophobicContact CG2-CZ 4.46Å; V217-F267 WeakPolarHBondContact O-CA 3.33Å; V219-F267 HydrophobicContact CG2-CB 4.35Å; V219-F267 HydrophobicContact CG2-CD1 4.29Å; V238-F267 HydrophobicContact CG1-CB 3.69Å; V238-F267 WeakPolarHBondContact CG1-O 3.2Å; F241-F267 AromaticContact CD1-CD1 3.88Å; F241-F267 HydrophobicContact CD1-CD1 3.88Å; F241-F267 HydrophobicContact CD1-CD2 4.28Å; F241-F267 AromaticContact CD1-CE1 3.76Å; F241-F267 HydrophobicContact CD1-CE1 3.76Å; F241-F267 HydrophobicContact CD1-CE2 4.15Å; F241-F267 HydrophobicContact CD1-CG 4.15Å; F241-F267 AromaticContact CD1-CZ 3.9Å; F241-F267 HydrophobicContact CD1-CZ 3.9Å; F241-F267 AromaticContact CE1-CD1 3.91Å; F241-F267 HydrophobicContact CE1-CD1 3.91Å; F241-F267 AromaticContact CE1-CE1 3.36Å; F241-F267 HydrophobicContact CE1-CE1 3.36Å; F241-F267 HydrophobicContact CE1-CE2 4.23Å; F241-F267 AromaticContact CE1-CZ 3.54Å; F241-F267 HydrophobicContact CE1-CZ 3.54Å; F241-F267 HydrophobicContact CZ-CE1 4.42Å; R242-F267 HydrophobicContact CG-CB 3.92Å; R242-F267 HydrophobicContact CG-CD2 3.78Å; R242-F267 HydrophobicContact CG-CG 4.28Å; R242-F267 PolarHBondContact NE-O 3.21Å; V265-F267 HydrophobicContact CB-CE2 3.83Å; V265-F267 HydrophobicContact CB-CZ 4.07Å; V265-F267 HydrophobicContact CG1-CD2 4.25Å; V265-F267 HydrophobicContact CG1-CE1 4.09Å; V265-F267 HydrophobicContact CG1-CE2 3.61Å; V265-F267 HydrophobicContact CG1-CZ 3.5Å; V265-F267 WeakPolarHBondContact O-CD2 3.38Å; V265-F267 WeakPolarHBondContact O-CE2 3.27Å; F267-V694 HydrophobicContact CE1-CG1 4.18Å; F267-V694 HydrophobicContact CZ-CG1 4.38Å
268	L	96.9	Very high	82.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.4	179.9	-63.4	-174.5	0	0	0	110.9	R88 Y102 L216 V217 F218 V219 E266 I330 F334	R88-L268 HydrophobicContact CG-CD2 4.4Å; Y102-L268 HydrophobicContact CD1-CD1 4.12Å; Y102-L268 HydrophobicContact CD2-CD1 4.33Å; Y102-L268 HydrophobicContact CD2-CD2 3.69Å; Y102-L268 HydrophobicContact CE1-CD1 4.17Å; Y102-L268 HydrophobicContact CE2-CD1 4.38Å; Y102-L268 HydrophobicContact CE2-CD2 3.97Å; Y102-L268 HydrophobicContact CG-CD1 4.2Å; Y102-L268 HydrophobicContact CG-CD2 4.16Å; L216-L268 HydrophobicContact CD1-CD1 3.69Å; L216-L268 HydrophobicContact CD1-CG 3.81Å; V217-L268 PolarHBondContact O-N 3.46Å; F218-L268 HydrophobicContact CD1-CB 4.29Å; F218-L268 HydrophobicContact CE1-CB 4.42Å; F218-L268 HydrophobicContact CE1-CD1 4.36Å; V219-L268 PolarHBondContact N-O 2.88Å; E266-L268 HydrophobicContact CG-CD2 4.07Å; E266-L268 HydrophobicContact CG-CG 4.2Å; L268-I330 HydrophobicContact CB-CG2 4.27Å; L268-I330 HydrophobicContact CD1-CG2 3.53Å; L268-F334 HydrophobicContact CD1-CB 4.45Å; L268-F334 HydrophobicContact CD1-CD2 4Å
269	P	94.7	Very high	81.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	137.1	175	30.3	-32.8	0	0	0	110.2	W103 I234 V235 V238	W103-P269 HydrophobicContact CD2-CG 4.32Å; W103-P269 HydrophobicContact CE3-CG 3.7Å; W103-P269 HydrophobicContact CZ3-CG 3.99Å; I234-P269 HydrophobicContact CG1-CB 3.95Å; I234-P269 HydrophobicContact CG2-CB 4.08Å; V235-P269 HydrophobicContact CG2-CB 4.46Å; V235-P269 HydrophobicContact CG2-CG 3.98Å; V238-P269 HydrophobicContact CB-CB 4.4Å; V238-P269 HydrophobicContact CG2-CB 4.06Å
270	V	92.3	Very high	80.4	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	100.3	171.2	-178.8	0	0	0	0	107.3	F218 V219 V220 W272 E326 M327 I330	F218-V270 HydrophobicContact CB-CG2 4.04Å; F218-V270 HydrophobicContact CD1-CG2 4.1Å; F218-V270 HydrophobicContact CG-CG2 4.47Å; V219-V270 PolarHBondContact O-N 2.88Å; V220-V270 HydrophobicContact CG2-CB 3.93Å; V220-V270 HydrophobicContact CG2-CG1 4.32Å; V220-V270 HydrophobicContact CG2-CG2 3.93Å; V270-W272 PolarHBondContact O-N 2.91Å; V270-E326 HydrophobicContact CG1-CB 4.05Å; V270-E326 HydrophobicContact CG1-CG 3.82Å; V270-M327 HydrophobicContact CB-CG 4.49Å; V270-M327 HydrophobicContact CG1-CG 3.97Å; V270-M327 HydrophobicContact CG2-CG 3.73Å; V270-I330 HydrophobicContact CG2-CD1 4.39Å
271	N	84.6	Confident	79.5	Confident	44 Å²	44	29.3 Å²	29.3	24%	0.235	18%	0.179	C	C	.	.			trans	-88.7	103.9	176.8	-172.9	6.1	0	0	0	109.6
272	W	81.3	Confident	78.5	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.008	17%	0.167	C	C	.	.			trans	-116.4	-3.3	-177.1	63.3	-92	0	0	0	112.6	H221 I223 V270 P275 L276 I319 T322 V323 I356	H221-W272 PolarHBondContact O-NE1 3.13Å; H221-W272 VanDerWaalsContact O-NE1 3.09Å; I223-W272 HydrophobicContact CB-CH2 4.23Å; I223-W272 HydrophobicContact CD1-CH2 3.74Å; I223-W272 HydrophobicContact CD1-CZ3 4.3Å; I223-W272 HydrophobicContact CG1-CH2 2.99Å; I223-W272 HydrophobicContact CG1-CZ2 3.63Å; I223-W272 HydrophobicContact CG1-CZ3 3.66Å; V270-W272 PolarHBondContact O-N 2.91Å; W272-P275 WeakPolarHBondContact O-CD 3.37Å; W272-L276 HydrophobicContact CZ3-CD2 4.31Å; W272-I319 HydrophobicContact CE3-CG2 4.2Å; W272-I319 HydrophobicContact CH2-CG1 4.4Å; W272-I319 HydrophobicContact CH2-CG2 3.51Å; W272-I319 HydrophobicContact CZ2-CG2 4.43Å; W272-I319 HydrophobicContact CZ3-CB 4.15Å; W272-I319 HydrophobicContact CZ3-CD1 4.44Å; W272-I319 HydrophobicContact CZ3-CG1 3.86Å; W272-I319 HydrophobicContact CZ3-CG2 3.49Å; W272-I319 VanDerWaalsContact CZ3-CG2 3.49Å; W272-T322 HydrophobicContact CB-CG2 4Å; W272-V323 HydrophobicContact CB-CG2 3.75Å; W272-V323 HydrophobicContact CD2-CG2 3.54Å; W272-V323 HydrophobicContact CE3-CG2 4.08Å; W272-V323 HydrophobicContact CG-CG2 3.4Å; W272-I356 HydrophobicContact CH2-CD1 3.57Å; W272-I356 HydrophobicContact CZ2-CD1 3.4Å; W272-I356 VanDerWaalsContact CZ2-CD1 3.4Å
273	H	70.5	Confident	77.5	Confident	10 Å²	10	30.2 Å²	30.2	5%	0.046	19%	0.19	C	C	.	.	S	Bend	trans	-78.4	-33	-169.3	-174	-102.3	0	0	0	113.5	I223 G224 P225 P275 L276 H277	I223-H273 WeakPolarHBondContact CG2-NE2 3.24Å; G224-H273 VanDerWaalsContact C-NE2 3.35Å; G224-H273 WeakPolarHBondContact CA-NE2 3.39Å; G224-H273 PolarHBondContact N-CD2 2.86Å; G224-H273 PolarHBondContact N-NE2 3.04Å; P225-H273 WeakPolarHBondContact CD-CE1 3.35Å; H273-P275 VanDerWaalsContact C-CD 3.49Å; H273-L276 PolarHBondContact O-N 3.04Å; H273-H277 AromaticContact CD2-CD2 3.62Å; H273-H277 AromaticContact CD2-NE2 3.51Å; H273-H277 AromaticContact CE1-CD2 2.88Å; H273-H277 PolarHBondContact CE1-CD2 3.44Å; H273-H277 AromaticContact CE1-CG 3.93Å; H273-H277 AromaticContact CE1-NE2 3.03Å; H273-H277 PolarHBondContact CE1-NE2 2.91Å; H273-H277 AromaticContact CG-CD2 3.82Å; H273-H277 AromaticContact ND1-CD2 3.39Å; H273-H277 PolarHBondContact ND1-CD2 2.78Å; H273-H277 AromaticContact ND1-NE2 3.91Å; H273-H277 AromaticContact NE2-CD2 3.04Å; H273-H277 PolarHBondContact NE2-CD2 2.74Å; H273-H277 AromaticContact NE2-CE1 3.89Å; H273-H277 AromaticContact NE2-NE2 2.7Å; H273-H277 PolarHBondContact NE2-NE2 3.06Å; H273-H277 PolarHBondContact O-CD2 2.86Å
274	S	65.4	Low	76.6	Confident	59 Å²	59	34 Å²	34	41%	0.413	21%	0.21	S	C	.	.	H	α-helix	trans	-59.8	-38.6	-175.2	53.9	0	0	0	0	115.3	L276 S278	S274-L276 PolarHBondContact O-N 2.93Å; S274-S278 PolarHBondContact O-OG 3.38Å
275	P	60.2	Low	75.5	Confident	69 Å²	69	35.1 Å²	35.1	45%	0.448	22%	0.216	S	C	.	.	H	α-helix	trans	-71.9	-29	-178.9	-18.1	35.6	0	0	0	112.7	W272 H273 T322	W272-P275 WeakPolarHBondContact O-CD 3.37Å; H273-P275 VanDerWaalsContact C-CD 3.49Å; P275-T322 HydrophobicContact CG-CG2 4.18Å
276	L	60.3	Low	74.3	Confident	15 Å²	15	41.5 Å²	41.5	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-72.3	-34.2	-177.2	-166.2	67	0	0	0	112.4	I223 W272 H273 S274 T279 Y315 T318 I319	I223-L276 HydrophobicContact CD1-CD2 4.46Å; W272-L276 HydrophobicContact CZ3-CD2 4.31Å; H273-L276 PolarHBondContact O-N 3.04Å; S274-L276 PolarHBondContact O-N 2.93Å; L276-T279 WeakPolarHBondContact O-CB 3.36Å; L276-T279 VanDerWaalsContact O-CG2 3.29Å; L276-T279 WeakPolarHBondContact O-CG2 3.46Å; L276-T279 PolarHBondContact O-OG1 2.77Å; L276-Y315 HydrophobicContact CD1-CD1 3.87Å; L276-T318 HydrophobicContact CD1-CG2 4.49Å; L276-I319 HydrophobicContact CD1-CG1 4.27Å; L276-I319 HydrophobicContact CD2-CD1 4.04Å; L276-I319 HydrophobicContact CD2-CG1 3.92Å
277	H	58	Low	73.4	Confident	32 Å²	32	50 Å²	50	15%	0.148	28%	0.278	C	S	.	.	H	α-helix	trans	-87.5	-7.8	-177.4	-73.2	-62.5	0	0	0	116.1	H273 T279 G280 D282	H273-H277 AromaticContact CD2-CD2 3.62Å; H273-H277 AromaticContact CD2-NE2 3.51Å; H273-H277 AromaticContact CE1-CD2 2.88Å; H273-H277 PolarHBondContact CE1-CD2 3.44Å; H273-H277 AromaticContact CE1-CG 3.93Å; H273-H277 AromaticContact CE1-NE2 3.03Å; H273-H277 PolarHBondContact CE1-NE2 2.91Å; H273-H277 AromaticContact CG-CD2 3.82Å; H273-H277 AromaticContact ND1-CD2 3.39Å; H273-H277 PolarHBondContact ND1-CD2 2.78Å; H273-H277 AromaticContact ND1-NE2 3.91Å; H273-H277 AromaticContact NE2-CD2 3.04Å; H273-H277 PolarHBondContact NE2-CD2 2.74Å; H273-H277 AromaticContact NE2-CE1 3.89Å; H273-H277 AromaticContact NE2-NE2 2.7Å; H273-H277 PolarHBondContact NE2-NE2 3.06Å; H273-H277 PolarHBondContact O-CD2 2.86Å; H277-T279 PolarHBondContact O-N 2.97Å; H277-G280 PolarHBondContact O-N 3.07Å; H277-G280 VanDerWaalsContact O-N 3.16Å; H277-D282 IonicContact CD2-OD2 3.61Å; H277-D282 IonicContact CE1-OD1 2.97Å; H277-D282 PolarHBondContact CE1-OD1 3.23Å; H277-D282 IonicContact CE1-OD2 3.81Å; H277-D282 PolarHBondContact CE1-OD2 2.89Å; H277-D282 VanDerWaalsContact CE1-OD2 3.29Å; H277-D282 IonicContact CG-OD2 3.78Å; H277-D282 VanDerWaalsContact CG-OD2 3.23Å; H277-D282 IonicContact ND1-OD1 3.47Å; H277-D282 PolarHBondContact ND1-OD1 2.85Å; H277-D282 IonicContact ND1-OD2 2.75Å; H277-D282 PolarHBondContact ND1-OD2 3.24Å; H277-D282 IonicContact NE2-OD1 3.04Å; H277-D282 IonicContact NE2-OD2 3.88Å
278	S	55.7	Low	72.6	Confident	103 Å²	103	55.9 Å²	55.9	72%	0.72	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-13.1	165.7	-56.2	0	0	0	0	112.3	S274 G280	S274-S278 PolarHBondContact O-OG 3.38Å; S278-G280 VanDerWaalsContact C-N 3.32Å
279	T	61.9	Low	71.6	Confident	83 Å²	83	57.4 Å²	57.4	51%	0.509	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-8.9	178.1	61.1	0	0	0	0	114.3	L276 H277 V281	L276-T279 WeakPolarHBondContact O-CB 3.36Å; L276-T279 VanDerWaalsContact O-CG2 3.29Å; L276-T279 WeakPolarHBondContact O-CG2 3.46Å; L276-T279 PolarHBondContact O-OG1 2.77Å; H277-T279 PolarHBondContact O-N 2.97Å; T279-V281 VanDerWaalsContact C-N 3.3Å; T279-V281 PolarHBondContact O-N 3.47Å; T279-V281 WeakPolarHBondContact OG1-CG2 3.32Å
280	G	63.5	Low	70.9	Confident	29 Å²	29	62.1 Å²	62.1	30%	0.299	34%	0.342	S	S	.	.	S	Bend	trans	81.3	1.6	177.1	0	0	0	0	0	115.3	H277 S278 D282 V283 D284	H277-G280 PolarHBondContact O-N 3.07Å; H277-G280 VanDerWaalsContact O-N 3.16Å; S278-G280 VanDerWaalsContact C-N 3.32Å; G280-D282 VanDerWaalsContact C-N 3.32Å; G280-D282 PolarHBondContact O-N 3.01Å; G280-V283 WeakPolarHBondContact O-CB 3.48Å; G280-V283 PolarHBondContact O-N 3.42Å; G280-V283 VanDerWaalsContact O-N 3.16Å; G280-D284 PolarHBondContact O-N 3.15Å
281	V	67.8	Low	70.2	Confident	30 Å²	30	67 Å²	67	18%	0.182	37%	0.374	C	S	.	.	H	α-helix	trans	-62.3	-37.7	-176.8	177.4	0	0	0	0	112.3	T279 V283 D284 L285 F309	T279-V281 VanDerWaalsContact C-N 3.3Å; T279-V281 PolarHBondContact O-N 3.47Å; T279-V281 WeakPolarHBondContact OG1-CG2 3.32Å; V281-V283 VanDerWaalsContact C-N 3.28Å; V281-V283 PolarHBondContact O-N 2.8Å; V281-D284 PolarHBondContact O-N 2.82Å; V281-L285 HydrophobicContact CG1-CD1 4.08Å; V281-L285 HydrophobicContact CG1-CG 4.19Å; V281-L285 WeakPolarHBondContact O-CB 3.16Å; V281-L285 WeakPolarHBondContact O-CG 3.38Å; V281-L285 PolarHBondContact O-N 3.16Å; V281-F309 HydrophobicContact CG1-CE1 3.73Å; V281-F309 HydrophobicContact CG1-CE2 4.42Å; V281-F309 HydrophobicContact CG1-CZ 3.36Å
282	D	66.1	Low	69.9	Low	52 Å²	52	68.6 Å²	68.6	28%	0.278	39%	0.388	S	S	.	.	H	α-helix	trans	-57.1	-39.1	175	-89.1	-7.6	0	0	0	113.4	H277 G280 D284 L285 Q286	H277-D282 IonicContact CD2-OD2 3.61Å; H277-D282 IonicContact CE1-OD1 2.97Å; H277-D282 PolarHBondContact CE1-OD1 3.23Å; H277-D282 IonicContact CE1-OD2 3.81Å; H277-D282 PolarHBondContact CE1-OD2 2.89Å; H277-D282 VanDerWaalsContact CE1-OD2 3.29Å; H277-D282 IonicContact CG-OD2 3.78Å; H277-D282 VanDerWaalsContact CG-OD2 3.23Å; H277-D282 IonicContact ND1-OD1 3.47Å; H277-D282 PolarHBondContact ND1-OD1 2.85Å; H277-D282 IonicContact ND1-OD2 2.75Å; H277-D282 PolarHBondContact ND1-OD2 3.24Å; H277-D282 IonicContact NE2-OD1 3.04Å; H277-D282 IonicContact NE2-OD2 3.88Å; G280-D282 VanDerWaalsContact C-N 3.32Å; G280-D282 PolarHBondContact O-N 3.01Å; D282-D284 VanDerWaalsContact C-N 3.33Å; D282-L285 PolarHBondContact O-N 3.03Å; D282-Q286 WeakPolarHBondContact O-CB 3.32Å; D282-Q286 VanDerWaalsContact O-CG 3.3Å; D282-Q286 WeakPolarHBondContact O-CG 3.4Å; D282-Q286 PolarHBondContact O-N 2.99Å
283	V	71.3	Confident	69.6	Low	87 Å²	87	73.8 Å²	73.8	53%	0.527	42%	0.415	S	S	.	.	H	α-helix	trans	-67.6	-40.1	-179.9	179.6	0	0	0	0	110.2	G280 V281 R287	G280-V283 WeakPolarHBondContact O-CB 3.48Å; G280-V283 PolarHBondContact O-N 3.42Å; G280-V283 VanDerWaalsContact O-N 3.16Å; V281-V283 VanDerWaalsContact C-N 3.28Å; V281-V283 PolarHBondContact O-N 2.8Å; V283-R287 WeakPolarHBondContact O-CB 3.34Å; V283-R287 PolarHBondContact O-N 3.25Å; V283-R287 VanDerWaalsContact O-N 3.08Å
284	D	72	Confident	69.6	Low	84 Å²	84	77.3 Å²	77.3	45%	0.449	43%	0.434	S	S	.	.	H	α-helix	trans	-70.8	-37.3	176.5	-72.1	-29.9	0	0	0	111.7	G280 V281 D282 R287 I288	G280-D284 PolarHBondContact O-N 3.15Å; V281-D284 PolarHBondContact O-N 2.82Å; D282-D284 VanDerWaalsContact C-N 3.33Å; D284-R287 WeakPolarHBondContact O-CB 3.09Å; D284-R287 PolarHBondContact O-N 3.45Å; D284-R287 IonicContact OD1-CZ 3.83Å; D284-R287 IonicContact OD1-NH1 2.8Å; D284-R287 PolarHBondContact OD1-NH1 3.32Å; D284-R287 IonicContact OD1-NH2 3.07Å; D284-R287 PolarHBondContact OD1-NH2 3Å; D284-I288 PolarHBondContact O-N 2.85Å
285	L	71.1	Confident	69.8	Low	28 Å²	28	84.6 Å²	84.6	15%	0.147	45%	0.453	C	S	.	.	H	α-helix	trans	-63.9	-44.9	173.6	-76.1	177.3	0	0	0	112.4	V281 D282 R287 I288 T289 L305 F309	V281-L285 HydrophobicContact CG1-CD1 4.08Å; V281-L285 HydrophobicContact CG1-CG 4.19Å; V281-L285 WeakPolarHBondContact O-CB 3.16Å; V281-L285 WeakPolarHBondContact O-CG 3.38Å; V281-L285 PolarHBondContact O-N 3.16Å; D282-L285 PolarHBondContact O-N 3.03Å; L285-R287 VanDerWaalsContact C-N 3.28Å; L285-R287 PolarHBondContact O-N 3.14Å; L285-I288 HydrophobicContact CD2-CD1 4.1Å; L285-I288 WeakPolarHBondContact O-CG1 3.4Å; L285-I288 PolarHBondContact O-N 2.85Å; L285-T289 WeakPolarHBondContact O-CB 3.48Å; L285-T289 PolarHBondContact O-N 3.31Å; L285-T289 PolarHBondContact O-OG1 2.66Å; L285-L305 HydrophobicContact CD1-CD1 3.59Å; L285-L305 HydrophobicContact CD2-CD1 3.56Å; L285-L305 HydrophobicContact CG-CD1 4.09Å; L285-F309 HydrophobicContact CD1-CE2 3.85Å; L285-F309 HydrophobicContact CD1-CZ 3.8Å
286	Q	72.4	Confident	70.3	Confident	140 Å²	140	86.1 Å²	86.1	65%	0.654	46%	0.457	S	S	*	.	H	α-helix	trans	-61.9	-37.9	175	-74.7	179	11.6	0	0	111.4	D282 I288 T289	D282-Q286 WeakPolarHBondContact O-CB 3.32Å; D282-Q286 VanDerWaalsContact O-CG 3.3Å; D282-Q286 WeakPolarHBondContact O-CG 3.4Å; D282-Q286 PolarHBondContact O-N 2.99Å; Q286-I288 VanDerWaalsContact C-N 3.31Å; Q286-I288 PolarHBondContact O-N 3.23Å; Q286-T289 PolarHBondContact O-N 3.5Å
287	R	78	Confident	71	Confident	180 Å²	180	88.9 Å²	88.9	68%	0.679	47%	0.466	S	S	*	.	H	α-helix	trans	-62.2	-35.6	177.6	-169.7	-174	-63.5	135.9	9.1	112.9	V283 D284 L285	V283-R287 WeakPolarHBondContact O-CB 3.34Å; V283-R287 PolarHBondContact O-N 3.25Å; V283-R287 VanDerWaalsContact O-N 3.08Å; D284-R287 WeakPolarHBondContact O-CB 3.09Å; D284-R287 PolarHBondContact O-N 3.45Å; D284-R287 IonicContact OD1-CZ 3.83Å; D284-R287 IonicContact OD1-NH1 2.8Å; D284-R287 PolarHBondContact OD1-NH1 3.32Å; D284-R287 IonicContact OD1-NH2 3.07Å; D284-R287 PolarHBondContact OD1-NH2 3Å; L285-R287 VanDerWaalsContact C-N 3.28Å; L285-R287 PolarHBondContact O-N 3.14Å
288	I	80.1	Confident	71.6	Confident	126 Å²	126	91 Å²	91	65%	0.646	48%	0.476	S	S	*	.	H	α-helix	trans	-90.2	-9.6	179.1	65.8	172.9	0	0	0	113.3	D284 L285 Q286 L290	D284-I288 PolarHBondContact O-N 2.85Å; L285-I288 HydrophobicContact CD2-CD1 4.1Å; L285-I288 WeakPolarHBondContact O-CG1 3.4Å; L285-I288 PolarHBondContact O-N 2.85Å; Q286-I288 VanDerWaalsContact C-N 3.31Å; Q286-I288 PolarHBondContact O-N 3.23Å; I288-L290 PolarHBondContact O-N 3.33Å
289	T	77.3	Confident	72.4	Confident	33 Å²	33	87.2 Å²	87.2	20%	0.202	45%	0.446	C	S	.	.	S	Bend	trans	-75.9	118.9	179.2	-62.8	0	0	0	0	110.1	L285 Q286 R297 N301	L285-T289 WeakPolarHBondContact O-CB 3.48Å; L285-T289 PolarHBondContact O-N 3.31Å; L285-T289 PolarHBondContact O-OG1 2.66Å; Q286-T289 PolarHBondContact O-N 3.5Å; T289-R297 HydrophobicContact CG2-CB 3.95Å; T289-N301 PolarHBondContact OG1-ND2 2.99Å
290	L	79.9	Confident	72.9	Confident	98 Å²	98	85.6 Å²	85.6	51%	0.513	44%	0.436	S	S	.	.			trans	-67.5	147.5	178	-64.5	166.1	0	0	0	111.5	I288 S292 R297	I288-L290 PolarHBondContact O-N 3.33Å; L290-S292 VanDerWaalsContact C-N 3.26Å; L290-S292 PolarHBondContact O-N 3.01Å; L290-R297 WeakPolarHBondContact O-CD 3.42Å
291	P	78	Confident	73.1	Confident	103 Å²	103	85.9 Å²	85.9	67%	0.669	43%	0.431	S	S	*	.	S	Bend	trans	-79.1	-3	-176.6	32.6	-37.4	0	0	0	114.5	N294	P291-N294 VanDerWaalsContact C-OD1 3.23Å; P291-N294 WeakPolarHBondContact CA-OD1 3.23Å; P291-N294 VanDerWaalsContact O-CG 3.31Å; P291-N294 PolarHBondContact O-ND2 3.46Å; P291-N294 PolarHBondContact O-OD1 3.29Å
292	S	76.4	Confident	73.1	Confident	77 Å²	77	86.8 Å²	86.8	54%	0.538	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	147.7	176.6	-47.4	0	0	0	0	110	L290 N294 R297	L290-S292 VanDerWaalsContact C-N 3.26Å; L290-S292 PolarHBondContact O-N 3.01Å; S292-N294 VanDerWaalsContact C-N 3.31Å; S292-N294 PolarHBondContact O-N 3.38Å; S292-R297 WeakPolarHBondContact O-CD 3.49Å; S292-R297 PolarHBondContact O-NE 3.47Å; S292-R297 VanDerWaalsContact O-NE 3.08Å
293	I	76.7	Confident	73	Confident	111 Å²	111	84.8 Å²	84.8	57%	0.569	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	44.9	178.6	57.8	165.9	0	0	0	113.8	R295 L296 R297	I293-R295 VanDerWaalsContact C-N 3.32Å; I293-R295 PolarHBondContact O-N 3Å; I293-R295 VanDerWaalsContact O-N 3.13Å; I293-L296 HydrophobicContact CD1-CD2 4.17Å; I293-L296 PolarHBondContact O-N 2.89Å; I293-R297 HydrophobicContact CD1-CG 4.43Å; I293-R297 HydrophobicContact CG1-CG 4.14Å; I293-R297 PolarHBondContact O-N 2.9Å; I293-R297 VanDerWaalsContact O-N 3.14Å
294	N	70.6	Confident	72.9	Confident	84 Å²	84	84 Å²	84	45%	0.449	42%	0.417	S	S	.	.	H	α-helix	trans	-45.2	-50.4	-172.5	-71.2	-34.6	0	0	0	113.6	P291 S292 L296 R297 H298	P291-N294 VanDerWaalsContact C-OD1 3.23Å; P291-N294 WeakPolarHBondContact CA-OD1 3.23Å; P291-N294 VanDerWaalsContact O-CG 3.31Å; P291-N294 PolarHBondContact O-ND2 3.46Å; P291-N294 PolarHBondContact O-OD1 3.29Å; S292-N294 VanDerWaalsContact C-N 3.31Å; S292-N294 PolarHBondContact O-N 3.38Å; N294-L296 VanDerWaalsContact C-N 3.33Å; N294-L296 PolarHBondContact O-N 2.8Å; N294-R297 PolarHBondContact O-N 3.41Å; N294-H298 PolarHBondContact O-N 3.19Å; N294-H298 PolarHBondContact O-ND1 3.5Å
295	R	68.6	Low	72.7	Confident	213 Å²	213	81.8 Å²	81.8	80%	0.804	41%	0.405	S	S	*	.	H	α-helix	trans	-56.6	-42.7	-178.3	-66.5	-175.1	-180	-177.8	-0.8	113.6	I293 F299	I293-R295 VanDerWaalsContact C-N 3.32Å; I293-R295 PolarHBondContact O-N 3Å; I293-R295 VanDerWaalsContact O-N 3.13Å; R295-F299 PolarHBondContact O-N 2.95Å
296	L	71.1	Confident	72.6	Confident	101 Å²	101	80.8 Å²	80.8	53%	0.529	40%	0.4	S	S	.	.	H	α-helix	trans	-74.2	-35.7	-179.3	-173.3	62.2	0	0	0	112	I293 N294 F299 T300	I293-L296 HydrophobicContact CD1-CD2 4.17Å; I293-L296 PolarHBondContact O-N 2.89Å; N294-L296 VanDerWaalsContact C-N 3.33Å; N294-L296 PolarHBondContact O-N 2.8Å; L296-F299 HydrophobicContact CD1-CD1 4.5Å; L296-F299 PolarHBondContact O-N 3.01Å; L296-T300 PolarHBondContact O-N 2.9Å; L296-T300 PolarHBondContact O-OG1 2.95Å
297	R	74.8	Confident	72.7	Confident	73 Å²	73	75.2 Å²	75.2	28%	0.275	38%	0.375	S	S	.	.	H	α-helix	trans	-69.6	-38.2	176.1	-76	-176.6	-174.5	-87.7	-4.7	112.8	T289 L290 S292 I293 N294 T300 N301	T289-R297 HydrophobicContact CG2-CB 3.95Å; L290-R297 WeakPolarHBondContact O-CD 3.42Å; S292-R297 WeakPolarHBondContact O-CD 3.49Å; S292-R297 PolarHBondContact O-NE 3.47Å; S292-R297 VanDerWaalsContact O-NE 3.08Å; I293-R297 HydrophobicContact CD1-CG 4.43Å; I293-R297 HydrophobicContact CG1-CG 4.14Å; I293-R297 PolarHBondContact O-N 2.9Å; I293-R297 VanDerWaalsContact O-N 3.14Å; N294-R297 PolarHBondContact O-N 3.41Å; R297-T300 PolarHBondContact O-N 2.65Å; R297-N301 WeakPolarHBondContact O-CB 2.96Å; R297-N301 VanDerWaalsContact O-CG 3.25Å; R297-N301 PolarHBondContact O-N 3.46Å; R297-N301 PolarHBondContact O-OD1 3.2Å
298	H	70.9	Confident	72.5	Confident	76 Å²	76	72.9 Å²	72.9	35%	0.352	37%	0.37	S	S	.	.	H	α-helix	trans	-60.9	-49.7	172.7	-73.2	72.7	0	0	0	109.8	F231 N294 T300 N301 D302	F231-H298 HydrophobicContact CE1-CB 4.45Å; N294-H298 PolarHBondContact O-N 3.19Å; N294-H298 PolarHBondContact O-ND1 3.5Å; H298-T300 VanDerWaalsContact C-N 3.31Å; H298-T300 PolarHBondContact O-N 3.24Å; H298-N301 PolarHBondContact O-N 3.46Å; H298-D302 WeakPolarHBondContact O-CB 2.82Å; H298-D302 PolarHBondContact O-N 2.87Å
299	F	72.4	Confident	72.3	Confident	23 Å²	23	68.2 Å²	68.2	10%	0.101	35%	0.345	C	S	.	.	H	α-helix	trans	-56.6	-41.4	173.6	176.3	-108.4	0	0	0	114	R295 L296 N301 D302 T303 P542 V543 L678 H681	R295-F299 PolarHBondContact O-N 2.95Å; L296-F299 HydrophobicContact CD1-CD1 4.5Å; L296-F299 PolarHBondContact O-N 3.01Å; F299-N301 VanDerWaalsContact C-N 3.32Å; F299-N301 PolarHBondContact O-N 2.83Å; F299-D302 PolarHBondContact O-N 2.84Å; F299-T303 HydrophobicContact CE2-CG2 4.18Å; F299-T303 WeakPolarHBondContact CE2-OG1 3.27Å; F299-T303 HydrophobicContact CZ-CG2 4.22Å; F299-T303 VanDerWaalsContact O-CB 3.29Å; F299-T303 WeakPolarHBondContact O-CB 3.36Å; F299-T303 PolarHBondContact O-N 2.9Å; F299-T303 PolarHBondContact O-OG1 2.93Å; F299-P542 HydrophobicContact CE1-CG 4.38Å; F299-P542 HydrophobicContact CZ-CG 4.12Å; F299-V543 HydrophobicContact CZ-CG2 3.92Å; F299-L678 HydrophobicContact CB-CD1 3.6Å; F299-L678 HydrophobicContact CB-CD2 4.42Å; F299-L678 HydrophobicContact CD1-CD1 4.15Å; F299-L678 HydrophobicContact CD2-CD1 3Å; F299-L678 HydrophobicContact CD2-CG 4.5Å; F299-L678 HydrophobicContact CE2-CD1 3.58Å; F299-L678 HydrophobicContact CG-CD1 3.31Å; F299-L678 HydrophobicContact CZ-CD1 4.35Å; F299-H681 HydrophobicContact CE2-CB 4.49Å; F299-H681 AromaticContact CE2-CD2 3.96Å
300	T	71.3	Confident	72.4	Confident	49 Å²	49	66.7 Å²	66.7	30%	0.301	34%	0.336	S	S	.	.	I	π-helix	trans	-61.8	-42.9	176.1	-58.2	0	0	0	0	110.9	L296 R297 H298 I304 L305	L296-T300 PolarHBondContact O-N 2.9Å; L296-T300 PolarHBondContact O-OG1 2.95Å; R297-T300 PolarHBondContact O-N 2.65Å; H298-T300 VanDerWaalsContact C-N 3.31Å; H298-T300 PolarHBondContact O-N 3.24Å; T300-I304 HydrophobicContact CG2-CB 4.17Å; T300-I304 HydrophobicContact CG2-CD1 4.13Å; T300-I304 WeakPolarHBondContact O-CA 3.48Å; T300-I304 VanDerWaalsContact O-CB 3.32Å; T300-I304 WeakPolarHBondContact O-CB 3.49Å; T300-I304 PolarHBondContact O-N 2.78Å; T300-L305 PolarHBondContact O-N 2.65Å; T300-L305 VanDerWaalsContact O-N 3.11Å
301	N	69.2	Low	72.3	Confident	36 Å²	36	64.8 Å²	64.8	19%	0.193	33%	0.326	C	S	.	.	I	π-helix	trans	-67.2	-43.3	178	-68.9	-8.9	0	0	0	111.7	T289 R297 H298 F299 T303 L305	T289-N301 PolarHBondContact OG1-ND2 2.99Å; R297-N301 WeakPolarHBondContact O-CB 2.96Å; R297-N301 VanDerWaalsContact O-CG 3.25Å; R297-N301 PolarHBondContact O-N 3.46Å; R297-N301 PolarHBondContact O-OD1 3.2Å; H298-N301 PolarHBondContact O-N 3.46Å; F299-N301 VanDerWaalsContact C-N 3.32Å; F299-N301 PolarHBondContact O-N 2.83Å; N301-T303 VanDerWaalsContact C-N 3.3Å; N301-T303 PolarHBondContact O-N 3.18Å; N301-L305 HydrophobicContact CB-CD1 3.9Å; N301-L305 WeakPolarHBondContact O-CB 3.41Å; N301-L305 WeakPolarHBondContact OD1-CD1 3.36Å
302	D	66.1	Low	72.4	Confident	49 Å²	49	61.5 Å²	61.5	26%	0.262	31%	0.306	S	S	.	.	I	π-helix	trans	-84.5	4.1	-174.8	-57.3	-22.7	0	0	0	113.7	H298 F299	H298-D302 WeakPolarHBondContact O-CB 2.82Å; H298-D302 PolarHBondContact O-N 2.87Å; F299-D302 PolarHBondContact O-N 2.84Å
303	T	66	Low	72.1	Confident	10 Å²	10	60.1 Å²	60.1	6%	0.061	30%	0.295	C	S	.	.	I	π-helix	trans	-145.4	-41.3	-177.2	-52.7	0	0	0	0	112.8	F299 N301 V307 V543	F299-T303 HydrophobicContact CE2-CG2 4.18Å; F299-T303 WeakPolarHBondContact CE2-OG1 3.27Å; F299-T303 HydrophobicContact CZ-CG2 4.22Å; F299-T303 VanDerWaalsContact O-CB 3.29Å; F299-T303 WeakPolarHBondContact O-CB 3.36Å; F299-T303 PolarHBondContact O-N 2.9Å; F299-T303 PolarHBondContact O-OG1 2.93Å; N301-T303 VanDerWaalsContact C-N 3.3Å; N301-T303 PolarHBondContact O-N 3.18Å; T303-V307 WeakPolarHBondContact O-CG2 2.99Å; T303-V543 HydrophobicContact CG2-CG1 4.25Å; T303-V543 HydrophobicContact CG2-CG2 3.82Å
304	I	68.1	Low	71.9	Confident	71 Å²	71	59.9 Å²	59.9	36%	0.364	30%	0.298	S	S	.	.	I	π-helix	trans	-90	-39.2	-177.9	-61.3	174	0	0	0	111.6	T300 D306 V307 F308	T300-I304 HydrophobicContact CG2-CB 4.17Å; T300-I304 HydrophobicContact CG2-CD1 4.13Å; T300-I304 WeakPolarHBondContact O-CA 3.48Å; T300-I304 VanDerWaalsContact O-CB 3.32Å; T300-I304 WeakPolarHBondContact O-CB 3.49Å; T300-I304 PolarHBondContact O-N 2.78Å; I304-D306 PolarHBondContact O-N 2.83Å; I304-V307 WeakPolarHBondContact O-CB 3.07Å; I304-V307 PolarHBondContact O-N 3.03Å; I304-F308 HydrophobicContact CG2-CD2 4.22Å; I304-F308 HydrophobicContact CG2-CE2 3.63Å; I304-F308 HydrophobicContact CG2-CZ 4.34Å; I304-F308 VanDerWaalsContact O-CD2 3.22Å; I304-F308 WeakPolarHBondContact O-CD2 3.21Å; I304-F308 PolarHBondContact O-N 3.2Å
305	L	68	Low	72.3	Confident	37 Å²	37	59 Å²	59	19%	0.194	29%	0.289	C	S	.	.	H	α-helix	trans	-63.8	-33.6	174.9	-66	179.4	0	0	0	112.1	L285 T300 N301 V307 F308 F309	L285-L305 HydrophobicContact CD1-CD1 3.59Å; L285-L305 HydrophobicContact CD2-CD1 3.56Å; L285-L305 HydrophobicContact CG-CD1 4.09Å; T300-L305 PolarHBondContact O-N 2.65Å; T300-L305 VanDerWaalsContact O-N 3.11Å; N301-L305 HydrophobicContact CB-CD1 3.9Å; N301-L305 WeakPolarHBondContact O-CB 3.41Å; N301-L305 WeakPolarHBondContact OD1-CD1 3.36Å; L305-V307 VanDerWaalsContact C-N 3.31Å; L305-V307 PolarHBondContact O-N 2.78Å; L305-F308 HydrophobicContact CD2-CD2 4.29Å; L305-F308 CarbonylContact O-C 3.5Å; L305-F308 WeakPolarHBondContact O-CA 3.42Å; L305-F308 WeakPolarHBondContact O-CB 3.44Å; L305-F308 PolarHBondContact O-N 2.77Å; L305-F309 HydrophobicContact CB-CE2 4.17Å; L305-F309 VanDerWaalsContact O-CD2 3.25Å; L305-F309 WeakPolarHBondContact O-CD2 3.25Å; L305-F309 PolarHBondContact O-N 3.27Å
306	D	69.5	Low	73.1	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-40.6	178.1	-67.6	-12.4	0	0	0	112.8	I223 I304 F308 F309 Y310 L352	I223-D306 HydrophobicContact CB-CB 3.63Å; I223-D306 WeakPolarHBondContact CB-OD1 3.37Å; I223-D306 VanDerWaalsContact CB-OD2 3.27Å; I223-D306 WeakPolarHBondContact CB-OD2 3.49Å; I223-D306 HydrophobicContact CD1-CB 3.91Å; I223-D306 HydrophobicContact CG1-CB 4.21Å; I223-D306 HydrophobicContact CG2-CB 4.18Å; I223-D306 WeakPolarHBondContact CG2-OD1 3.3Å; I304-D306 PolarHBondContact O-N 2.83Å; D306-F308 VanDerWaalsContact C-N 3.3Å; D306-F308 PolarHBondContact O-N 3.46Å; D306-F309 PolarHBondContact O-N 2.96Å; D306-Y310 PolarHBondContact O-N 3.5Å; D306-L352 HydrophobicContact CB-CD2 3.86Å; D306-L352 WeakPolarHBondContact O-CD2 3.1Å
307	V	73.3	Confident	73.9	Confident	22 Å²	22	46.4 Å²	46.4	13%	0.133	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-42.2	168.9	157	0	0	0	0	111.1	T303 I304 L305 Y310 N311 L352 F512	T303-V307 WeakPolarHBondContact O-CG2 2.99Å; I304-V307 WeakPolarHBondContact O-CB 3.07Å; I304-V307 PolarHBondContact O-N 3.03Å; L305-V307 VanDerWaalsContact C-N 3.31Å; L305-V307 PolarHBondContact O-N 2.78Å; V307-Y310 PolarHBondContact O-N 3.08Å; V307-N311 WeakPolarHBondContact O-CB 3.23Å; V307-N311 PolarHBondContact O-N 3.16Å; V307-N311 PolarHBondContact O-ND2 2.99Å; V307-L352 HydrophobicContact CG2-CD1 4.45Å; V307-F512 HydrophobicContact CB-CE2 4.2Å; V307-F512 HydrophobicContact CB-CZ 3.67Å; V307-F512 HydrophobicContact CG1-CE1 4Å; V307-F512 HydrophobicContact CG1-CE2 3.74Å; V307-F512 HydrophobicContact CG1-CZ 3.17Å; V307-F512 HydrophobicContact CG2-CE2 3.64Å; V307-F512 HydrophobicContact CG2-CZ 3.54Å
308	F	74.9	Confident	74.5	Confident	131 Å²	131	46.3 Å²	46.3	58%	0.575	24%	0.244	S	C	*	.	H	α-helix	trans	-69.1	-37.8	177.2	-66.6	-56.6	0	0	0	112.8	I304 L305 D306 N311 S312	I304-F308 HydrophobicContact CG2-CD2 4.22Å; I304-F308 HydrophobicContact CG2-CE2 3.63Å; I304-F308 HydrophobicContact CG2-CZ 4.34Å; I304-F308 VanDerWaalsContact O-CD2 3.22Å; I304-F308 WeakPolarHBondContact O-CD2 3.21Å; I304-F308 PolarHBondContact O-N 3.2Å; L305-F308 HydrophobicContact CD2-CD2 4.29Å; L305-F308 CarbonylContact O-C 3.5Å; L305-F308 WeakPolarHBondContact O-CA 3.42Å; L305-F308 WeakPolarHBondContact O-CB 3.44Å; L305-F308 PolarHBondContact O-N 2.77Å; D306-F308 VanDerWaalsContact C-N 3.3Å; D306-F308 PolarHBondContact O-N 3.46Å; F308-N311 PolarHBondContact O-N 3.27Å; F308-S312 PolarHBondContact O-N 3.4Å; F308-S312 VanDerWaalsContact O-N 3.14Å
309	F	74.4	Confident	75.3	Confident	29 Å²	29	42.7 Å²	42.7	13%	0.127	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-46.1	173.2	-73.6	-56.1	0	0	0	111.2	I223 V281 L285 L305 D306 N311 S312 Y315	I223-F309 HydrophobicContact CD1-CB 4.3Å; V281-F309 HydrophobicContact CG1-CE1 3.73Å; V281-F309 HydrophobicContact CG1-CE2 4.42Å; V281-F309 HydrophobicContact CG1-CZ 3.36Å; L285-F309 HydrophobicContact CD1-CE2 3.85Å; L285-F309 HydrophobicContact CD1-CZ 3.8Å; L305-F309 HydrophobicContact CB-CE2 4.17Å; L305-F309 VanDerWaalsContact O-CD2 3.25Å; L305-F309 WeakPolarHBondContact O-CD2 3.25Å; L305-F309 PolarHBondContact O-N 3.27Å; D306-F309 PolarHBondContact O-N 2.96Å; F309-N311 VanDerWaalsContact C-N 3.29Å; F309-N311 PolarHBondContact O-N 2.82Å; F309-S312 VanDerWaalsContact O-CB 3.26Å; F309-S312 WeakPolarHBondContact O-CB 3.24Å; F309-S312 PolarHBondContact O-N 3.38Å; F309-Y315 AromaticContact CD1-CD2 3.72Å; F309-Y315 HydrophobicContact CD1-CD2 3.72Å; F309-Y315 AromaticContact CD1-CE2 3.84Å; F309-Y315 HydrophobicContact CD1-CE2 3.84Å; F309-Y315 HydrophobicContact CD1-CG 4.26Å; F309-Y315 HydrophobicContact CE1-CD2 4.45Å; F309-Y315 HydrophobicContact CE1-CE2 4.12Å; F309-Y315 WeakPolarHBondContact O-CB 3.32Å
310	Y	80.1	Confident	76.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.1	-30.5	179.8	-171.2	-111.2	0	0	0	113.3	D306 V307 S312 C316 I319 V320 L352 L355 I356 D359	D306-Y310 PolarHBondContact O-N 3.5Å; V307-Y310 PolarHBondContact O-N 3.08Å; Y310-S312 VanDerWaalsContact C-N 3.26Å; Y310-S312 PolarHBondContact O-N 3.34Å; Y310-C316 VanDerWaalsContact O-CB 3.26Å; Y310-C316 WeakPolarHBondContact O-CB 3.48Å; Y310-C316 PolarHBondContact O-SG 2.95Å; Y310-I319 HydrophobicContact CD2-CB 4.42Å; Y310-I319 HydrophobicContact CD2-CD1 4.14Å; Y310-I319 HydrophobicContact CD2-CG2 4.05Å; Y310-I319 HydrophobicContact CE2-CG2 4.23Å; Y310-V320 HydrophobicContact CE2-CG2 3.84Å; Y310-L352 HydrophobicContact CD1-CD1 4.09Å; Y310-L352 HydrophobicContact CG-CD1 4.12Å; Y310-L355 HydrophobicContact CD1-CD2 3.68Å; Y310-L355 HydrophobicContact CD1-CG 4.33Å; Y310-L355 HydrophobicContact CE1-CD2 3.72Å; Y310-L355 HydrophobicContact CE1-CG 3.9Å; Y310-I356 HydrophobicContact CD2-CG1 3.99Å; Y310-I356 HydrophobicContact CE2-CG1 3.7Å; Y310-D359 VanDerWaalsContact CE1-OD2 3.26Å; Y310-D359 WeakPolarHBondContact CE1-OD2 3.35Å; Y310-D359 WeakPolarHBondContact OH-CB 3.45Å; Y310-D359 PolarHBondContact OH-OD2 3.29Å
311	N	78.3	Confident	77.2	Confident	58 Å²	58	42.1 Å²	42.1	31%	0.31	22%	0.224	S	C	.	.	H	α-helix	trans	-74.2	-15.1	171.7	-78.7	-35.3	0	0	0	113.6	V307 F308 F309 P313 F512	V307-N311 WeakPolarHBondContact O-CB 3.23Å; V307-N311 PolarHBondContact O-N 3.16Å; V307-N311 PolarHBondContact O-ND2 2.99Å; F308-N311 PolarHBondContact O-N 3.27Å; F309-N311 VanDerWaalsContact C-N 3.29Å; F309-N311 PolarHBondContact O-N 2.82Å; N311-P313 WeakPolarHBondContact O-CD 3.42Å; N311-F512 WeakPolarHBondContact ND2-CE1 3Å; N311-F512 WeakPolarHBondContact OD1-CE1 3.44Å
312	S	79	Confident	78.2	Confident	35 Å²	35	42.1 Å²	42.1	25%	0.245	23%	0.226	C	C	.	.	S	Bend	trans	-77.3	122.5	175.1	178.7	0	0	0	0	110.5	F308 F309 Y310 T314 Y315 C316	F308-S312 PolarHBondContact O-N 3.4Å; F308-S312 VanDerWaalsContact O-N 3.14Å; F309-S312 VanDerWaalsContact O-CB 3.26Å; F309-S312 WeakPolarHBondContact O-CB 3.24Å; F309-S312 PolarHBondContact O-N 3.38Å; Y310-S312 VanDerWaalsContact C-N 3.26Å; Y310-S312 PolarHBondContact O-N 3.34Å; S312-T314 PolarHBondContact O-N 3.05Å; S312-T314 VanDerWaalsContact O-N 3.14Å; S312-Y315 PolarHBondContact O-N 3.49Å; S312-C316 VanDerWaalsContact O-CB 3.27Å; S312-C316 WeakPolarHBondContact O-CB 3.25Å; S312-C316 PolarHBondContact O-N 3.28Å
313	P	71.5	Confident	79.5	Confident	48 Å²	48	39.8 Å²	39.8	31%	0.312	21%	0.213	S	C	.	.	H	α-helix	trans	-47.2	-41.6	176.4	-36.9	41.6	0	0	0	115.7	N311 V488	N311-P313 WeakPolarHBondContact O-CD 3.42Å; P313-V488 HydrophobicContact CB-CB 3.67Å; P313-V488 HydrophobicContact CB-CG1 4.46Å; P313-V488 HydrophobicContact CB-CG2 3.51Å; P313-V488 HydrophobicContact CG-CB 3.83Å; P313-V488 HydrophobicContact CG-CG2 3.32Å
314	T	71.7	Confident	80.9	Confident	105 Å²	105	39.3 Å²	39.3	64%	0.644	21%	0.21	S	C	*	.	H	α-helix	trans	-66.9	-43.1	-175.6	-51	0	0	0	0	111.4	S312 T318	S312-T314 PolarHBondContact O-N 3.05Å; S312-T314 VanDerWaalsContact O-N 3.14Å; T314-T318 PolarHBondContact O-OG1 3.04Å
315	Y	79.6	Confident	82.1	Confident	65 Å²	65	39.2 Å²	39.2	26%	0.255	22%	0.216	S	C	.	.	H	α-helix	trans	-85	-36.5	-177.1	-63.1	-65.6	0	0	0	111.4	L276 F309 S312 Q317 T318 I319	L276-Y315 HydrophobicContact CD1-CD1 3.87Å; F309-Y315 AromaticContact CD1-CD2 3.72Å; F309-Y315 HydrophobicContact CD1-CD2 3.72Å; F309-Y315 AromaticContact CD1-CE2 3.84Å; F309-Y315 HydrophobicContact CD1-CE2 3.84Å; F309-Y315 HydrophobicContact CD1-CG 4.26Å; F309-Y315 HydrophobicContact CE1-CD2 4.45Å; F309-Y315 HydrophobicContact CE1-CE2 4.12Å; F309-Y315 WeakPolarHBondContact O-CB 3.32Å; S312-Y315 PolarHBondContact O-N 3.49Å; Y315-Q317 PolarHBondContact O-N 3.47Å; Y315-T318 PolarHBondContact O-N 2.64Å; Y315-T318 VanDerWaalsContact O-N 3.13Å; Y315-I319 WeakPolarHBondContact O-CB 3.5Å; Y315-I319 WeakPolarHBondContact O-CG1 3.39Å; Y315-I319 PolarHBondContact O-N 2.88Å
316	C	85.8	Confident	83.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-51.5	-50.4	180	-171.2	0	0	0	0	113	Y310 S312 T318 I319 V320 Q487 V490	Y310-C316 VanDerWaalsContact O-CB 3.26Å; Y310-C316 WeakPolarHBondContact O-CB 3.48Å; Y310-C316 PolarHBondContact O-SG 2.95Å; S312-C316 VanDerWaalsContact O-CB 3.27Å; S312-C316 WeakPolarHBondContact O-CB 3.25Å; S312-C316 PolarHBondContact O-N 3.28Å; C316-T318 PolarHBondContact O-N 3.18Å; C316-I319 PolarHBondContact O-N 3.48Å; C316-V320 WeakPolarHBondContact O-CG2 3.4Å; C316-V320 PolarHBondContact O-N 2.99Å; C316-Q487 PolarHBondContact SG-NE2 3.04Å; C316-V490 HydrophobicContact CB-CG2 4.23Å
317	Q	87.8	Confident	84.6	Confident	50 Å²	50	38.8 Å²	38.8	23%	0.234	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-47.6	179.7	-174.4	61.2	55.1	0	0	111.3	Y315 I319 V320 D321 K491	Y315-Q317 PolarHBondContact O-N 3.47Å; Q317-I319 VanDerWaalsContact C-N 3.33Å; Q317-I319 PolarHBondContact O-N 3.43Å; Q317-V320 PolarHBondContact O-N 3.37Å; Q317-D321 PolarHBondContact NE2-OD1 3.23Å; Q317-D321 PolarHBondContact NE2-OD2 3.05Å; Q317-D321 WeakPolarHBondContact O-CB 3.33Å; Q317-D321 VanDerWaalsContact O-CG 3.23Å; Q317-D321 PolarHBondContact O-N 3.19Å; Q317-K491 PolarHBondContact NE2-O 2.87Å
318	T	86.8	Confident	85.7	Confident	71 Å²	71	39 Å²	39	44%	0.436	21%	0.213	S	C	.	.	H	α-helix	trans	-60.7	-42.7	179.1	-54	0	0	0	0	111.8	L276 T314 Y315 C316 T322	L276-T318 HydrophobicContact CD1-CG2 4.49Å; T314-T318 PolarHBondContact O-OG1 3.04Å; Y315-T318 PolarHBondContact O-N 2.64Å; Y315-T318 VanDerWaalsContact O-N 3.13Å; C316-T318 PolarHBondContact O-N 3.18Å; T318-T322 VanDerWaalsContact O-CB 3.29Å; T318-T322 WeakPolarHBondContact O-CB 3.42Å; T318-T322 PolarHBondContact O-N 3.19Å; T318-T322 PolarHBondContact O-OG1 3.31Å
319	I	88.3	Confident	86.8	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-52.6	-180	-68.9	167.4	0	0	0	110.3	I223 W272 L276 Y310 Y315 C316 Q317 D321 T322 V323 I356	I223-I319 HydrophobicContact CD1-CD1 4.02Å; W272-I319 HydrophobicContact CE3-CG2 4.2Å; W272-I319 HydrophobicContact CH2-CG1 4.4Å; W272-I319 HydrophobicContact CH2-CG2 3.51Å; W272-I319 HydrophobicContact CZ2-CG2 4.43Å; W272-I319 HydrophobicContact CZ3-CB 4.15Å; W272-I319 HydrophobicContact CZ3-CD1 4.44Å; W272-I319 HydrophobicContact CZ3-CG1 3.86Å; W272-I319 HydrophobicContact CZ3-CG2 3.49Å; W272-I319 VanDerWaalsContact CZ3-CG2 3.49Å; L276-I319 HydrophobicContact CD1-CG1 4.27Å; L276-I319 HydrophobicContact CD2-CD1 4.04Å; L276-I319 HydrophobicContact CD2-CG1 3.92Å; Y310-I319 HydrophobicContact CD2-CB 4.42Å; Y310-I319 HydrophobicContact CD2-CD1 4.14Å; Y310-I319 HydrophobicContact CD2-CG2 4.05Å; Y310-I319 HydrophobicContact CE2-CG2 4.23Å; Y315-I319 WeakPolarHBondContact O-CB 3.5Å; Y315-I319 WeakPolarHBondContact O-CG1 3.39Å; Y315-I319 PolarHBondContact O-N 2.88Å; C316-I319 PolarHBondContact O-N 3.48Å; Q317-I319 VanDerWaalsContact C-N 3.33Å; Q317-I319 PolarHBondContact O-N 3.43Å; I319-D321 VanDerWaalsContact C-N 3.34Å; I319-D321 PolarHBondContact O-N 3.08Å; I319-T322 PolarHBondContact O-N 3.28Å; I319-V323 HydrophobicContact CG2-CG2 4.46Å; I319-V323 WeakPolarHBondContact O-CG2 3.47Å; I319-V323 PolarHBondContact O-N 2.65Å; I319-I356 HydrophobicContact CG2-CD1 3.66Å; I319-I356 HydrophobicContact CG2-CG1 4.2Å
320	V	91.1	Very high	87.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-42.6	-178.8	169.9	0	0	0	0	111.1	Y310 C316 Q317 A324 I360 Y492 P493	Y310-V320 HydrophobicContact CE2-CG2 3.84Å; C316-V320 WeakPolarHBondContact O-CG2 3.4Å; C316-V320 PolarHBondContact O-N 2.99Å; Q317-V320 PolarHBondContact O-N 3.37Å; V320-A324 WeakPolarHBondContact O-CB 3.35Å; V320-A324 PolarHBondContact O-N 3.35Å; V320-I360 HydrophobicContact CG1-CD1 4.43Å; V320-I360 HydrophobicContact CG1-CG1 4.01Å; V320-Y492 HydrophobicContact CB-CD1 4.48Å; V320-Y492 HydrophobicContact CG1-CD1 3.49Å; V320-Y492 VanDerWaalsContact CG1-CD1 3.49Å; V320-Y492 HydrophobicContact CG1-CE1 4Å; V320-Y492 HydrophobicContact CG1-CG 4.32Å; V320-Y492 HydrophobicContact CG2-CD1 4.2Å; V320-Y492 HydrophobicContact CG2-CE1 3.84Å; V320-P493 VanDerWaalsContact CG1-CD 3.43Å; V320-P493 HydrophobicContact CG1-CG 4.46Å
321	D	91.1	Very high	88.7	Confident	59 Å²	59	38.1 Å²	38.1	32%	0.316	21%	0.205	S	C	.	.	H	α-helix	trans	-62.3	-43.4	176.8	-73.7	-23.4	0	0	0	111.8	Q317 I319 S325 P493	Q317-D321 PolarHBondContact NE2-OD1 3.23Å; Q317-D321 PolarHBondContact NE2-OD2 3.05Å; Q317-D321 WeakPolarHBondContact O-CB 3.33Å; Q317-D321 VanDerWaalsContact O-CG 3.23Å; Q317-D321 PolarHBondContact O-N 3.19Å; I319-D321 VanDerWaalsContact C-N 3.34Å; I319-D321 PolarHBondContact O-N 3.08Å; D321-S325 WeakPolarHBondContact O-CB 3.46Å; D321-S325 PolarHBondContact O-N 3.06Å; D321-S325 PolarHBondContact O-OG 3.03Å; D321-P493 WeakPolarHBondContact OD1-CG 3.42Å
322	T	91.1	Very high	89.6	Confident	37 Å²	37	38.1 Å²	38.1	23%	0.227	21%	0.208	C	C	.	.	H	α-helix	trans	-66.2	-50.4	179.6	-56.2	0	0	0	0	110.9	W272 P275 T318 I319 A324 S325 E326	W272-T322 HydrophobicContact CB-CG2 4Å; P275-T322 HydrophobicContact CG-CG2 4.18Å; T318-T322 VanDerWaalsContact O-CB 3.29Å; T318-T322 WeakPolarHBondContact O-CB 3.42Å; T318-T322 PolarHBondContact O-N 3.19Å; T318-T322 PolarHBondContact O-OG1 3.31Å; I319-T322 PolarHBondContact O-N 3.28Å; T322-A324 PolarHBondContact O-N 3.38Å; T322-S325 PolarHBondContact O-N 2.8Å; T322-E326 WeakPolarHBondContact O-CB 3.33Å; T322-E326 PolarHBondContact O-N 3.25Å
323	V	93.1	Very high	90.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.7	-49.3	-179.6	171	0	0	0	0	111.2	V220 W272 I319 E326 M327 I356 I360	V220-V323 HydrophobicContact CG1-CG1 4.08Å; V220-V323 HydrophobicContact CG2-CG1 4.22Å; W272-V323 HydrophobicContact CB-CG2 3.75Å; W272-V323 HydrophobicContact CD2-CG2 3.54Å; W272-V323 HydrophobicContact CE3-CG2 4.08Å; W272-V323 HydrophobicContact CG-CG2 3.4Å; I319-V323 HydrophobicContact CG2-CG2 4.46Å; I319-V323 WeakPolarHBondContact O-CG2 3.47Å; I319-V323 PolarHBondContact O-N 2.65Å; V323-E326 PolarHBondContact O-N 3.16Å; V323-M327 HydrophobicContact CG1-SD 3.77Å; V323-M327 WeakPolarHBondContact O-CB 3.43Å; V323-M327 VanDerWaalsContact O-CG 3.24Å; V323-M327 WeakPolarHBondContact O-CG 3.44Å; V323-M327 PolarHBondContact O-N 2.85Å; V323-I356 HydrophobicContact CB-CG2 4.24Å; V323-I356 HydrophobicContact CG1-CG2 4.1Å; V323-I356 HydrophobicContact CG2-CG2 4.18Å; V323-I360 HydrophobicContact CB-CD1 4.48Å; V323-I360 HydrophobicContact CG1-CD1 4.02Å
324	A	94.8	Very high	91.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.5	-39.8	-178.2	0	0	0	0	0	112.5	V320 T322 E326 N328 I360 P493 L495	V320-A324 WeakPolarHBondContact O-CB 3.35Å; V320-A324 PolarHBondContact O-N 3.35Å; T322-A324 PolarHBondContact O-N 3.38Å; A324-E326 VanDerWaalsContact C-N 3.34Å; A324-N328 WeakPolarHBondContact O-CB 3.49Å; A324-N328 VanDerWaalsContact O-CG 3.26Å; A324-N328 PolarHBondContact O-N 2.72Å; A324-N328 PolarHBondContact O-ND2 2.77Å; A324-I360 HydrophobicContact CB-CD1 4.32Å; A324-P493 HydrophobicContact CB-CB 3.7Å; A324-P493 HydrophobicContact CB-CG 3.88Å; A324-L495 HydrophobicContact CB-CD2 4.45Å
325	S	93.9	Very high	92.8	Very high	69 Å²	69	34 Å²	34	48%	0.483	18%	0.175	S	C	.	.	H	α-helix	trans	-64.1	-41.5	176.5	-60.3	0	0	0	0	111.2	D321 T322 N328 R329	D321-S325 WeakPolarHBondContact O-CB 3.46Å; D321-S325 PolarHBondContact O-N 3.06Å; D321-S325 PolarHBondContact O-OG 3.03Å; T322-S325 PolarHBondContact O-N 2.8Å; S325-N328 PolarHBondContact O-N 2.78Å; S325-R329 WeakPolarHBondContact O-CB 3.5Å; S325-R329 PolarHBondContact O-N 2.88Å
326	E	94.1	Very high	93.6	Very high	34 Å²	34	37.6 Å²	37.6	16%	0.159	19%	0.194	C	C	.	.	H	α-helix	trans	-67.7	-43.4	179	-173.3	61.2	-172.3	0	0	111.7	V270 T322 V323 A324 N328 R329 I330	V270-E326 HydrophobicContact CG1-CB 4.05Å; V270-E326 HydrophobicContact CG1-CG 3.82Å; T322-E326 WeakPolarHBondContact O-CB 3.33Å; T322-E326 PolarHBondContact O-N 3.25Å; V323-E326 PolarHBondContact O-N 3.16Å; A324-E326 VanDerWaalsContact C-N 3.34Å; E326-N328 VanDerWaalsContact C-N 3.32Å; E326-N328 PolarHBondContact O-N 3.42Å; E326-R329 PolarHBondContact O-N 3.38Å; E326-R329 IonicContact OE1-CZ 3.82Å; E326-R329 IonicContact OE1-NE 2.75Å; E326-R329 PolarHBondContact OE1-NE 3.37Å; E326-R329 IonicContact OE1-NH2 2.79Å; E326-R329 PolarHBondContact OE1-NH2 2.82Å; E326-R329 IonicContact OE2-CZ 2.81Å; E326-R329 IonicContact OE2-NE 3.32Å; E326-R329 PolarHBondContact OE2-NE 2.72Å; E326-R329 IonicContact OE2-NH2 3.7Å; E326-I330 HydrophobicContact CG-CD1 3.92Å; E326-I330 HydrophobicContact CG-CG1 4.45Å; E326-I330 VanDerWaalsContact O-CG1 3.25Å; E326-I330 WeakPolarHBondContact O-CG1 3.34Å; E326-I330 PolarHBondContact O-N 3.1Å
327	M	96.3	Very high	94	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.9	-43.8	172	-76	172.8	71.1	0	0	112.4	F218 V220 V270 V323 Y331 I347 L357 L495 Y497	F218-M327 HydrophobicContact CB-CE 4.36Å; V220-M327 HydrophobicContact CG2-SD 3.95Å; V270-M327 HydrophobicContact CB-CG 4.49Å; V270-M327 HydrophobicContact CG1-CG 3.97Å; V270-M327 HydrophobicContact CG2-CG 3.73Å; V323-M327 HydrophobicContact CG1-SD 3.77Å; V323-M327 WeakPolarHBondContact O-CB 3.43Å; V323-M327 VanDerWaalsContact O-CG 3.24Å; V323-M327 WeakPolarHBondContact O-CG 3.44Å; V323-M327 PolarHBondContact O-N 2.85Å; M327-Y331 VanDerWaalsContact O-CB 3.3Å; M327-Y331 WeakPolarHBondContact O-CB 2.99Å; M327-Y331 PolarHBondContact O-N 2.88Å; M327-I347 HydrophobicContact CE-CG2 3.73Å; M327-L357 HydrophobicContact CE-CD2 3.8Å; M327-L357 HydrophobicContact SD-CD2 3.7Å; M327-L495 HydrophobicContact CB-CD2 4.28Å; M327-L495 HydrophobicContact CE-CD1 4.15Å; M327-L495 HydrophobicContact CE-CD2 4.05Å; M327-L495 HydrophobicContact SD-CD2 4.41Å; M327-Y497 WeakPolarHBondContact CE-OH 3.38Å
328	N	97.3	Very high	94.4	Very high	27 Å²	27	41 Å²	41	14%	0.144	21%	0.208	C	C	.	.	H	α-helix	trans	-69	-38.8	177.6	-73	-21.8	0	0	0	112.4	A324 S325 E326 Y331 T332 R494 L495 I496	A324-N328 WeakPolarHBondContact O-CB 3.49Å; A324-N328 VanDerWaalsContact O-CG 3.26Å; A324-N328 PolarHBondContact O-N 2.72Å; A324-N328 PolarHBondContact O-ND2 2.77Å; S325-N328 PolarHBondContact O-N 2.78Å; E326-N328 VanDerWaalsContact C-N 3.32Å; E326-N328 PolarHBondContact O-N 3.42Å; N328-Y331 PolarHBondContact O-N 2.89Å; N328-T332 WeakPolarHBondContact O-CB 3.49Å; N328-T332 PolarHBondContact O-N 2.97Å; N328-T332 PolarHBondContact O-OG1 3.23Å; N328-R494 PolarHBondContact ND2-O 3.47Å; N328-L495 WeakPolarHBondContact OD1-CA 3.3Å; N328-I496 HydrophobicContact CB-CD1 4.03Å; N328-I496 HydrophobicContact CB-CG1 4.21Å; N328-I496 WeakPolarHBondContact OD1-CG1 3.35Å; N328-I496 PolarHBondContact OD1-N 2.82Å
329	R	96.3	Very high	94.7	Very high	102 Å²	102	42.7 Å²	42.7	39%	0.385	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-52.3	176	-173.8	-169.9	73.5	78.7	0.5	110.6	Y102 S325 E326 Y331 T332 L333	Y102-R329 PolarHBondContact O-NH2 3.05Å; S325-R329 WeakPolarHBondContact O-CB 3.5Å; S325-R329 PolarHBondContact O-N 2.88Å; E326-R329 PolarHBondContact O-N 3.38Å; E326-R329 IonicContact OE1-CZ 3.82Å; E326-R329 IonicContact OE1-NE 2.75Å; E326-R329 PolarHBondContact OE1-NE 3.37Å; E326-R329 IonicContact OE1-NH2 2.79Å; E326-R329 PolarHBondContact OE1-NH2 2.82Å; E326-R329 IonicContact OE2-CZ 2.81Å; E326-R329 IonicContact OE2-NE 3.32Å; E326-R329 PolarHBondContact OE2-NE 2.72Å; E326-R329 IonicContact OE2-NH2 3.7Å; R329-Y331 VanDerWaalsContact C-N 3.34Å; R329-Y331 PolarHBondContact O-N 3.4Å; R329-T332 PolarHBondContact O-N 3.42Å; R329-L333 WeakPolarHBondContact O-CB 3.49Å; R329-L333 PolarHBondContact O-N 3.28Å
330	I	96.9	Very high	94.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-41.7	179.9	-61	169.6	0	0	0	110.1	Y102 F218 L268 V270 E326 T332 L333 F334	Y102-I330 HydrophobicContact CD1-CG2 3.72Å; Y102-I330 HydrophobicContact CE1-CG2 4.47Å; Y102-I330 HydrophobicContact CG-CG2 4.25Å; F218-I330 HydrophobicContact CD1-CG2 4.41Å; F218-I330 HydrophobicContact CE1-CB 3.9Å; F218-I330 HydrophobicContact CE1-CG2 3.6Å; L268-I330 HydrophobicContact CB-CG2 4.27Å; L268-I330 HydrophobicContact CD1-CG2 3.53Å; V270-I330 HydrophobicContact CG2-CD1 4.39Å; E326-I330 HydrophobicContact CG-CD1 3.92Å; E326-I330 HydrophobicContact CG-CG1 4.45Å; E326-I330 VanDerWaalsContact O-CG1 3.25Å; E326-I330 WeakPolarHBondContact O-CG1 3.34Å; E326-I330 PolarHBondContact O-N 3.1Å; I330-T332 PolarHBondContact O-N 3.05Å; I330-L333 PolarHBondContact O-N 2.84Å; I330-F334 VanDerWaalsContact O-CB 3.27Å; I330-F334 WeakPolarHBondContact O-CB 3.43Å; I330-F334 PolarHBondContact O-N 2.95Å
331	Y	97.6	Very high	95.1	Very high	39 Å²	39	50.8 Å²	50.8	15%	0.153	26%	0.263	C	S	.	.	H	α-helix	trans	-60	-46.1	175.9	-177.4	-109.6	0	0	0	113	L216 F218 M327 N328 R329 L333 F334 L335 V345 I496 Y497	L216-Y331 HydrophobicContact CD2-CD2 4.01Å; L216-Y331 HydrophobicContact CD2-CE2 4.48Å; F218-Y331 HydrophobicContact CE2-CD2 4.08Å; F218-Y331 HydrophobicContact CZ-CD2 4.07Å; F218-Y331 HydrophobicContact CZ-CG 4.37Å; M327-Y331 VanDerWaalsContact O-CB 3.3Å; M327-Y331 WeakPolarHBondContact O-CB 2.99Å; M327-Y331 PolarHBondContact O-N 2.88Å; N328-Y331 PolarHBondContact O-N 2.89Å; R329-Y331 VanDerWaalsContact C-N 3.34Å; R329-Y331 PolarHBondContact O-N 3.4Å; Y331-L333 VanDerWaalsContact C-N 3.35Å; Y331-L333 PolarHBondContact O-N 3.35Å; Y331-F334 PolarHBondContact O-N 2.9Å; Y331-L335 HydrophobicContact CD1-CD1 4.1Å; Y331-L335 HydrophobicContact CE1-CD1 3.48Å; Y331-L335 VanDerWaalsContact CE1-CD1 3.48Å; Y331-L335 HydrophobicContact CE1-CG 4.28Å; Y331-L335 HydrophobicContact CE2-CD1 4.2Å; Y331-L335 HydrophobicContact CE2-CD2 4.39Å; Y331-L335 HydrophobicContact CE2-CG 4.21Å; Y331-L335 PolarHBondContact O-N 3.42Å; Y331-V345 HydrophobicContact CD2-CG2 4.35Å; Y331-V345 HydrophobicContact CE2-CG2 3.67Å; Y331-I496 HydrophobicContact CD1-CD1 3.83Å; Y331-I496 HydrophobicContact CD1-CG1 3.67Å; Y331-I496 HydrophobicContact CE1-CG1 4.21Å; Y331-Y497 AromaticContact CD1-CD1 3.53Å; Y331-Y497 HydrophobicContact CD1-CD1 3.53Å; Y331-Y497 HydrophobicContact CD1-CE1 4.3Å; Y331-Y497 HydrophobicContact CD1-CG 4.27Å; Y331-Y497 AromaticContact CD2-CD1 3.81Å; Y331-Y497 HydrophobicContact CD2-CD1 3.81Å; Y331-Y497 HydrophobicContact CD2-CE1 4.24Å; Y331-Y497 HydrophobicContact CD2-CG 4.19Å; Y331-Y497 AromaticContact CE1-CD1 3.93Å; Y331-Y497 HydrophobicContact CE1-CD1 3.93Å; Y331-Y497 HydrophobicContact CE1-CG 4.23Å; Y331-Y497 HydrophobicContact CE2-CD1 4.23Å; Y331-Y497 HydrophobicContact CE2-CG 4.2Å; Y331-Y497 AromaticContact CG-CD1 3.43Å; Y331-Y497 HydrophobicContact CG-CD1 3.43Å; Y331-Y497 VanDerWaalsContact CG-CD1 3.43Å; Y331-Y497 AromaticContact CG-CE1 3.83Å; Y331-Y497 HydrophobicContact CG-CE1 3.83Å; Y331-Y497 HydrophobicContact CG-CG 4.21Å
332	T	97.3	Very high	95.1	Very high	59 Å²	59	57.4 Å²	57.4	36%	0.362	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-45	177.9	-56	0	0	0	0	111	N328 R329 I330 F334 L335 Q336 I496	N328-T332 WeakPolarHBondContact O-CB 3.49Å; N328-T332 PolarHBondContact O-N 2.97Å; N328-T332 PolarHBondContact O-OG1 3.23Å; R329-T332 PolarHBondContact O-N 3.42Å; I330-T332 PolarHBondContact O-N 3.05Å; T332-F334 VanDerWaalsContact C-N 3.35Å; T332-L335 PolarHBondContact O-N 3.31Å; T332-Q336 WeakPolarHBondContact O-CG 3.41Å; T332-Q336 PolarHBondContact O-N 2.9Å; T332-I496 WeakPolarHBondContact OG1-CD1 3.25Å
333	L	96.8	Very high	95.2	Very high	38 Å²	38	56.8 Å²	56.8	20%	0.199	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-40.5	177.8	-177.1	59.1	0	0	0	111.9	V101 Y102 R329 I330 Y331 Q336 R337	V101-L333 HydrophobicContact CG1-CD2 3.81Å; V101-L333 HydrophobicContact CG1-CG 4.24Å; V101-L333 VanDerWaalsContact O-CD2 3.32Å; V101-L333 WeakPolarHBondContact O-CD2 3.49Å; Y102-L333 HydrophobicContact CD1-CD2 3.93Å; Y102-L333 HydrophobicContact CD1-CG 4.23Å; Y102-L333 HydrophobicContact CE1-CB 4.41Å; Y102-L333 HydrophobicContact CE1-CD2 4.22Å; Y102-L333 HydrophobicContact CE1-CG 4.03Å; R329-L333 WeakPolarHBondContact O-CB 3.49Å; R329-L333 PolarHBondContact O-N 3.28Å; I330-L333 PolarHBondContact O-N 2.84Å; Y331-L333 VanDerWaalsContact C-N 3.35Å; Y331-L333 PolarHBondContact O-N 3.35Å; L333-Q336 PolarHBondContact O-N 3.44Å; L333-R337 WeakPolarHBondContact O-CG 3.5Å; L333-R337 PolarHBondContact O-N 2.86Å; L333-R337 VanDerWaalsContact O-N 3.17Å
334	F	97.3	Very high	95.3	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-46.1	177.3	176.3	-93.6	0	0	0	111.5	Y102 I213 L216 E266 L268 I330 Y331 T332 R337 N338 F341	Y102-F334 HydrophobicContact CE1-CB 4.07Å; I213-F334 HydrophobicContact CD1-CE2 3.71Å; I213-F334 HydrophobicContact CD1-CZ 3.81Å; I213-F334 HydrophobicContact CG2-CZ 4.1Å; L216-F334 HydrophobicContact CB-CE1 4.46Å; L216-F334 HydrophobicContact CD1-CD2 4.18Å; L216-F334 HydrophobicContact CD1-CE2 4.08Å; L216-F334 HydrophobicContact CD1-CG 4.46Å; L216-F334 HydrophobicContact CD1-CZ 4.28Å; L216-F334 HydrophobicContact CD2-CD1 3.7Å; L216-F334 HydrophobicContact CD2-CE1 3.97Å; L216-F334 HydrophobicContact CD2-CG 4Å; L216-F334 HydrophobicContact CD2-CZ 4.49Å; E266-F334 HydrophobicContact CG-CE2 4.19Å; L268-F334 HydrophobicContact CD1-CB 4.45Å; L268-F334 HydrophobicContact CD1-CD2 4Å; I330-F334 VanDerWaalsContact O-CB 3.27Å; I330-F334 WeakPolarHBondContact O-CB 3.43Å; I330-F334 PolarHBondContact O-N 2.95Å; Y331-F334 PolarHBondContact O-N 2.9Å; T332-F334 VanDerWaalsContact C-N 3.35Å; F334-R337 PolarHBondContact O-N 2.72Å; F334-N338 WeakPolarHBondContact CD2-ND2 3.31Å; F334-N338 HydrophobicContact CE1-CB 4.32Å; F334-N338 WeakPolarHBondContact CE2-ND2 3.36Å; F334-N338 HydrophobicContact CZ-CB 4.25Å; F334-N338 WeakPolarHBondContact O-CB 3.43Å; F334-N338 PolarHBondContact O-N 2.87Å; F334-N338 PolarHBondContact O-ND2 3.26Å; F334-F341 HydrophobicContact CE1-CB 4.11Å; F334-F341 AromaticContact CE1-CD1 3.72Å; F334-F341 HydrophobicContact CE1-CD1 3.72Å; F334-F341 AromaticContact CE1-CD2 3.8Å; F334-F341 HydrophobicContact CE1-CD2 3.8Å; F334-F341 HydrophobicContact CE1-CE1 4Å; F334-F341 HydrophobicContact CE1-CE2 4.1Å; F334-F341 AromaticContact CE1-CG 3.59Å; F334-F341 HydrophobicContact CE1-CG 3.59Å; F334-F341 HydrophobicContact CE1-CZ 4.18Å; F334-F341 AromaticContact CZ-CD2 3.94Å; F334-F341 HydrophobicContact CZ-CD2 3.94Å; F334-F341 HydrophobicContact CZ-CE2 4.2Å; F334-F341 HydrophobicContact CZ-CG 4.16Å
335	L	96.5	Very high	95.4	Very high	61 Å²	61	57.8 Å²	57.8	32%	0.319	30%	0.298	S	S	.	.	H	α-helix	trans	-66.4	-36.6	177.2	-69.9	-177.7	0	0	0	113.1	Y331 T332 R337 N338 F341	Y331-L335 HydrophobicContact CD1-CD1 4.1Å; Y331-L335 HydrophobicContact CE1-CD1 3.48Å; Y331-L335 VanDerWaalsContact CE1-CD1 3.48Å; Y331-L335 HydrophobicContact CE1-CG 4.28Å; Y331-L335 HydrophobicContact CE2-CD1 4.2Å; Y331-L335 HydrophobicContact CE2-CD2 4.39Å; Y331-L335 HydrophobicContact CE2-CG 4.21Å; Y331-L335 PolarHBondContact O-N 3.42Å; T332-L335 PolarHBondContact O-N 3.31Å; L335-R337 PolarHBondContact O-N 3.19Å; L335-N338 CarbonylContact O-C 3.56Å; L335-N338 PolarHBondContact O-N 3.1Å; L335-F341 HydrophobicContact CD2-CD1 3.95Å
336	Q	95.8	Very high	95.6	Very high	141 Å²	141	54.5 Å²	54.5	66%	0.659	28%	0.275	S	S	*	.	H	α-helix	trans	-60.6	-35.3	175	-75.6	174.2	3	0	0	112.1	T332 L333	T332-Q336 WeakPolarHBondContact O-CG 3.41Å; T332-Q336 PolarHBondContact O-N 2.9Å; L333-Q336 PolarHBondContact O-N 3.44Å
337	R	94.4	Very high	95.8	Very high	82 Å²	82	52.9 Å²	52.9	31%	0.309	27%	0.268	S	S	.	.	H	α-helix	trans	-88.5	-25.4	-179.1	-65.6	-179.4	67.7	95.5	-3.3	113.3	G87 D90 L333 F334 L335 P339	G87-R337 PolarHBondContact O-NH2 2.8Å; D90-R337 IonicContact OD1-CZ 3.76Å; D90-R337 IonicContact OD1-NH1 3.45Å; D90-R337 IonicContact OD1-NH2 3.78Å; D90-R337 PolarHBondContact OD1-NH2 2.95Å; D90-R337 IonicContact OD2-CZ 2.87Å; D90-R337 IonicContact OD2-NH1 2.81Å; D90-R337 PolarHBondContact OD2-NH1 3.05Å; D90-R337 IonicContact OD2-NH2 3.71Å; D90-R337 PolarHBondContact OD2-NH2 2.81Å; L333-R337 WeakPolarHBondContact O-CG 3.5Å; L333-R337 PolarHBondContact O-N 2.86Å; L333-R337 VanDerWaalsContact O-N 3.17Å; F334-R337 PolarHBondContact O-N 2.72Å; L335-R337 PolarHBondContact O-N 3.19Å; R337-P339 VanDerWaalsContact C-CD 3.43Å; R337-P339 WeakPolarHBondContact O-CD 3.33Å
338	N	95.4	Very high	95.9	Very high	40 Å²	40	53 Å²	53	21%	0.214	27%	0.269	C	S	.	.			trans	-122.2	69.3	-179.4	-56.2	-83.6	0	0	0	109.9	F334 L335 D340 F341	F334-N338 WeakPolarHBondContact CD2-ND2 3.31Å; F334-N338 HydrophobicContact CE1-CB 4.32Å; F334-N338 WeakPolarHBondContact CE2-ND2 3.36Å; F334-N338 HydrophobicContact CZ-CB 4.25Å; F334-N338 WeakPolarHBondContact O-CB 3.43Å; F334-N338 PolarHBondContact O-N 2.87Å; F334-N338 PolarHBondContact O-ND2 3.26Å; L335-N338 CarbonylContact O-C 3.56Å; L335-N338 PolarHBondContact O-N 3.1Å; N338-D340 PolarHBondContact O-N 3.39Å; N338-F341 HydrophobicContact CB-CB 4.08Å; N338-F341 VanDerWaalsContact O-CB 3.26Å; N338-F341 WeakPolarHBondContact O-CB 3.13Å; N338-F341 PolarHBondContact O-N 3.16Å; N338-F341 VanDerWaalsContact O-N 3.11Å
339	P	93.7	Very high	95.8	Very high	107 Å²	107	51.8 Å²	51.8	70%	0.695	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-24.6	-175.8	26.2	-35.4	0	0	0	113.4	R337 F341	R337-P339 VanDerWaalsContact C-CD 3.43Å; R337-P339 WeakPolarHBondContact O-CD 3.33Å; P339-F341 VanDerWaalsContact C-N 3.33Å
340	D	92.5	Very high	95.5	Very high	141 Å²	141	47.2 Å²	47.2	75%	0.754	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	2.4	179.2	-64.2	-48.5	0	0	0	113.6	N338 K342	N338-D340 PolarHBondContact O-N 3.39Å; D340-K342 PolarHBondContact O-N 3.33Å
341	F	95.5	Very high	95.1	Very high	30 Å²	30	47.6 Å²	47.6	13%	0.132	25%	0.248	C	C	.	.			trans	-64.8	123	179.1	177.5	-104.6	0	0	0	111.4	I213 L216 F334 L335 N338 P339 G343	I213-F341 HydrophobicContact CB-CD2 4.24Å; I213-F341 HydrophobicContact CB-CE2 4.45Å; I213-F341 HydrophobicContact CG2-CD2 4.15Å; I213-F341 HydrophobicContact CG2-CE2 3.91Å; L216-F341 HydrophobicContact CB-CE2 4.48Å; L216-F341 HydrophobicContact CB-CZ 3.88Å; F334-F341 HydrophobicContact CE1-CB 4.11Å; F334-F341 AromaticContact CE1-CD1 3.72Å; F334-F341 HydrophobicContact CE1-CD1 3.72Å; F334-F341 AromaticContact CE1-CD2 3.8Å; F334-F341 HydrophobicContact CE1-CD2 3.8Å; F334-F341 HydrophobicContact CE1-CE1 4Å; F334-F341 HydrophobicContact CE1-CE2 4.1Å; F334-F341 AromaticContact CE1-CG 3.59Å; F334-F341 HydrophobicContact CE1-CG 3.59Å; F334-F341 HydrophobicContact CE1-CZ 4.18Å; F334-F341 AromaticContact CZ-CD2 3.94Å; F334-F341 HydrophobicContact CZ-CD2 3.94Å; F334-F341 HydrophobicContact CZ-CE2 4.2Å; F334-F341 HydrophobicContact CZ-CG 4.16Å; L335-F341 HydrophobicContact CD2-CD1 3.95Å; N338-F341 HydrophobicContact CB-CB 4.08Å; N338-F341 VanDerWaalsContact O-CB 3.26Å; N338-F341 WeakPolarHBondContact O-CB 3.13Å; N338-F341 PolarHBondContact O-N 3.16Å; N338-F341 VanDerWaalsContact O-N 3.11Å; P339-F341 VanDerWaalsContact C-N 3.33Å; F341-G343 VanDerWaalsContact CE1-O 3.24Å; F341-G343 WeakPolarHBondContact CE1-O 3.44Å; F341-G343 VanDerWaalsContact CZ-C 3.49Å; F341-G343 WeakPolarHBondContact CZ-O 3.35Å
342	K	90.9	Very high	94.7	Very high	197 Å²	197	45.8 Å²	45.8	86%	0.857	24%	0.241	S	C	*	.			trans	-123.2	5.4	179.4	-65.6	172.8	-171.6	172.4	0	113.1	D340	D340-K342 PolarHBondContact O-N 3.33Å
343	G	92.8	Very high	94.5	Very high	25 Å²	25	43 Å²	43	26%	0.258	22%	0.223	S	C	.	.			trans	-73.6	167.6	-177	0	0	0	0	0	113.7	D214 F341	D214-G343 WeakPolarHBondContact O-CA 3.39Å; F341-G343 VanDerWaalsContact CE1-O 3.24Å; F341-G343 WeakPolarHBondContact CE1-O 3.44Å; F341-G343 VanDerWaalsContact CZ-C 3.49Å; F341-G343 WeakPolarHBondContact CZ-O 3.35Å
344	G	94.7	Very high	94.3	Very high	12 Å²	12	41.1 Å²	41.1	12%	0.124	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	166.5	170.3	0	0	0	0	0	112	H215 L216	H215-G344 PolarHBondContact CD2-O 3.5Å; H215-G344 VanDerWaalsContact CE1-CA 3.47Å; H215-G344 WeakPolarHBondContact CE1-CA 3.24Å; H215-G344 PolarHBondContact ND1-O 3.36Å; L216-G344 PolarHBondContact N-O 3.46Å
345	V	97.5	Very high	94.1	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.055	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.6	173.1	-173.7	0	0	0	0	108.2	L216 F218 Y331 Y497 P499 E500	L216-V345 HydrophobicContact CB-CG2 4.47Å; L216-V345 HydrophobicContact CD2-CG1 4.44Å; L216-V345 CarbonylContact O-C 3.57Å; L216-V345 VanDerWaalsContact O-CA 3.31Å; L216-V345 WeakPolarHBondContact O-CA 3.41Å; F218-V345 HydrophobicContact CD2-CG1 3.79Å; F218-V345 HydrophobicContact CE2-CG1 3.66Å; Y331-V345 HydrophobicContact CD2-CG2 4.35Å; Y331-V345 HydrophobicContact CE2-CG2 3.67Å; V345-Y497 HydrophobicContact CB-CD2 3.97Å; V345-Y497 HydrophobicContact CB-CE2 4.39Å; V345-Y497 HydrophobicContact CG1-CD2 3.57Å; V345-Y497 HydrophobicContact CG1-CE2 3.51Å; V345-Y497 HydrophobicContact CG1-CG 4.41Å; V345-Y497 HydrophobicContact CG2-CD2 4.4Å; V345-P499 CarbonylContact O-C 3.6Å; V345-P499 WeakPolarHBondContact O-CA 3.2Å; V345-E500 PolarHBondContact O-N 3.04Å
346	S	98.2	Very high	93.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	166.1	172.3	-70.4	0	0	0	0	110.3	H215 L216 V217 F218 I501	H215-S346 WeakPolarHBondContact NE2-CB 3.48Å; H215-S346 PolarHBondContact NE2-N 2.83Å; H215-S346 PolarHBondContact NE2-OG 2.77Å; L216-S346 PolarHBondContact O-N 2.79Å; V217-S346 VanDerWaalsContact CA-O 3.32Å; V217-S346 WeakPolarHBondContact CA-O 3.32Å; F218-S346 PolarHBondContact N-O 2.8Å; S346-I501 WeakPolarHBondContact CA-O 3.31Å; S346-I501 VanDerWaalsContact CB-O 3.24Å; S346-I501 WeakPolarHBondContact CB-O 3.32Å; S346-I501 WeakPolarHBondContact OG-CB 3.13Å; S346-I501 PolarHBondContact OG-N 3.39Å
347	I	98.1	Very high	93.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.2	177.9	65.7	175.8	0	0	0	109.8	F218 M327 L357 L361 Y497 P499 I501 F502 F503	F218-I347 HydrophobicContact CB-CG2 4.32Å; F218-I347 CarbonylContact O-C 3.52Å; F218-I347 WeakPolarHBondContact O-CA 3.31Å; M327-I347 HydrophobicContact CE-CG2 3.73Å; I347-L357 HydrophobicContact CB-CD1 4.1Å; I347-L357 HydrophobicContact CD1-CB 4.11Å; I347-L357 HydrophobicContact CD1-CD1 4.01Å; I347-L357 HydrophobicContact CD1-CD2 3.99Å; I347-L357 HydrophobicContact CD1-CG 4.26Å; I347-L357 HydrophobicContact CG1-CD1 4.17Å; I347-L361 HydrophobicContact CD1-CD1 3.55Å; I347-L361 HydrophobicContact CD1-CD2 3.99Å; I347-L361 HydrophobicContact CD1-CG 3.78Å; I347-L361 HydrophobicContact CG1-CD1 4.46Å; I347-Y497 HydrophobicContact CG2-CE2 4.45Å; I347-P499 HydrophobicContact CD1-CB 4.45Å; I347-P499 HydrophobicContact CD1-CG 4.36Å; I347-P499 HydrophobicContact CG1-CB 4.3Å; I347-P499 HydrophobicContact CG2-CB 4.1Å; I347-P499 HydrophobicContact CG2-CG 3.95Å; I347-I501 PolarHBondContact N-O 2.79Å; I347-F502 HydrophobicContact CD1-CB 4.46Å; I347-F502 HydrophobicContact CD1-CD2 4.14Å; I347-F502 HydrophobicContact CD1-CG 4.35Å; I347-F502 HydrophobicContact CG1-CB 4.06Å; I347-F502 HydrophobicContact CG1-CD2 3.8Å; I347-F502 HydrophobicContact CG1-CG 4.18Å; I347-F502 WeakPolarHBondContact O-CA 3.45Å; I347-F503 PolarHBondContact O-N 2.86Å
348	A	97.8	Very high	93.9	Very high	3 Å²	3	28 Å²	28	3%	0.025	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.5	176.7	0	0	0	0	0	109.3	V217 F218 V219 V220 F503 F505	V217-A348 HydrophobicContact CG1-CB 4.02Å; F218-A348 PolarHBondContact O-N 3.19Å; V219-A348 CarbonylContact C-O 3.54Å; V219-A348 WeakPolarHBondContact CA-O 3.4Å; V219-A348 HydrophobicContact CG2-CB 4.37Å; V220-A348 PolarHBondContact N-O 3.13Å; A348-F503 CarbonylContact C-O 3.56Å; A348-F503 VanDerWaalsContact CA-O 3.23Å; A348-F503 WeakPolarHBondContact CA-O 3.36Å; A348-F503 HydrophobicContact CB-CB 4.22Å; A348-F505 HydrophobicContact CB-CE2 3.97Å; A348-F505 HydrophobicContact CB-CZ 4.16Å
349	G	94.9	Very high	93.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.4	177.1	0	0	0	0	0	110.5	V220 S354 F503 A504 F505	V220-G349 CarbonylContact O-C 3.48Å; V220-G349 VanDerWaalsContact O-CA 3.28Å; V220-G349 WeakPolarHBondContact O-CA 3.46Å; G349-S354 WeakPolarHBondContact O-CB 3.23Å; G349-F503 PolarHBondContact N-O 2.9Å; G349-A504 CarbonylContact O-C 3.55Å; G349-A504 WeakPolarHBondContact O-CA 3.37Å; G349-F505 PolarHBondContact O-N 3.13Å
350	H	91.9	Very high	93.9	Very high	7 Å²	7	21.2 Å²	21.2	3%	0.032	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137.6	170.3	171.1	-100.4	0	0	0	110.3	V220 G222 L352 G353 F505 H681 Y684 W685	V220-H350 PolarHBondContact O-N 2.99Å; G222-H350 PolarHBondContact N-O 2.93Å; G222-H350 VanDerWaalsContact N-O 3.1Å; H350-L352 PolarHBondContact O-N 3.15Å; H350-G353 WeakPolarHBondContact O-CA 3.3Å; H350-G353 PolarHBondContact O-N 3.35Å; H350-F505 WeakPolarHBondContact CA-O 3.04Å; H350-F505 HydrophobicContact CB-CB 4.34Å; H350-F505 HydrophobicContact CB-CD2 4.44Å; H350-H681 AromaticContact CE1-NE2 3.7Å; H350-H681 AromaticContact NE2-NE2 3.82Å; H350-H681 PolarHBondContact NE2-O 2.95Å; H350-Y684 AromaticContact CD2-CD2 3.76Å; H350-Y684 AromaticContact NE2-CD2 3.88Å; H350-W685 HydrophobicContact CB-CH2 3.64Å; H350-W685 HydrophobicContact CB-CZ2 3.42Å; H350-W685 VanDerWaalsContact CB-CZ2 3.42Å; H350-W685 AromaticContact CG-CZ2 3.52Å; H350-W685 AromaticContact ND1-CZ2 3.79Å
351	S	88.6	Confident	94	Very high	7 Å²	7	14.5 Å²	14.5	5%	0.049	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-131.8	178.1	-166.9	0	0	0	0	111.4	G353 S354 F505 P508 H681	S351-G353 PolarHBondContact O-N 2.75Å; S351-G353 VanDerWaalsContact O-N 3.14Å; S351-S354 WeakPolarHBondContact O-CB 3.28Å; S351-S354 PolarHBondContact O-N 3.39Å; S351-S354 PolarHBondContact O-OG 2.8Å; S351-F505 PolarHBondContact N-O 2.78Å; S351-P508 WeakPolarHBondContact O-CD 3.49Å; S351-H681 VanDerWaalsContact CB-NE2 3.34Å; S351-H681 WeakPolarHBondContact CB-NE2 3.44Å; S351-H681 PolarHBondContact OG-CE1 2.81Å; S351-H681 PolarHBondContact OG-NE2 3.14Å; S351-H681 VanDerWaalsContact OG-NE2 3.1Å
352	L	88.4	Confident	93.8	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-55.1	-29.1	176.4	-178.2	66.9	0	0	0	113.9	I223 D306 V307 Y310 H350 S354 L355 I356 F512	I223-L352 HydrophobicContact CB-CD2 4.36Å; I223-L352 HydrophobicContact CD1-CD2 3.36Å; I223-L352 HydrophobicContact CG1-CD2 3.69Å; D306-L352 HydrophobicContact CB-CD2 3.86Å; D306-L352 WeakPolarHBondContact O-CD2 3.1Å; V307-L352 HydrophobicContact CG2-CD1 4.45Å; Y310-L352 HydrophobicContact CD1-CD1 4.09Å; Y310-L352 HydrophobicContact CG-CD1 4.12Å; H350-L352 PolarHBondContact O-N 3.15Å; L352-S354 PolarHBondContact O-N 3.22Å; L352-L355 HydrophobicContact CD1-CB 4.27Å; L352-L355 HydrophobicContact CD1-CD2 3.89Å; L352-L355 WeakPolarHBondContact O-CB 3.45Å; L352-L355 PolarHBondContact O-N 2.95Å; L352-I356 HydrophobicContact CG-CD1 4.13Å; L352-I356 HydrophobicContact CG-CG1 4.37Å; L352-I356 WeakPolarHBondContact O-CG1 3.23Å; L352-I356 PolarHBondContact O-N 2.96Å; L352-I356 VanDerWaalsContact O-N 3.08Å; L352-F512 HydrophobicContact CD1-CZ 4.48Å
353	G	92.1	Very high	93.9	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-56.7	-33.5	175.7	0	0	0	0	0	112.5	H221 H350 S351 I356 L357	H221-G353 WeakPolarHBondContact O-CA 3.22Å; H350-G353 WeakPolarHBondContact O-CA 3.3Å; H350-G353 PolarHBondContact O-N 3.35Å; S351-G353 PolarHBondContact O-N 2.75Å; S351-G353 VanDerWaalsContact O-N 3.14Å; G353-I356 PolarHBondContact O-N 3.24Å; G353-L357 WeakPolarHBondContact O-CB 3.36Å; G353-L357 VanDerWaalsContact O-CG 3.31Å; G353-L357 WeakPolarHBondContact O-CG 3.43Å; G353-L357 PolarHBondContact O-N 2.82Å
354	S	94.1	Very high	93.8	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-65.8	-39.7	174	68.3	0	0	0	0	113.1	G349 S351 L352 L357 F358 F502 S507	G349-S354 WeakPolarHBondContact O-CB 3.23Å; S351-S354 WeakPolarHBondContact O-CB 3.28Å; S351-S354 PolarHBondContact O-N 3.39Å; S351-S354 PolarHBondContact O-OG 2.8Å; L352-S354 PolarHBondContact O-N 3.22Å; S354-L357 PolarHBondContact O-N 3.2Å; S354-F358 VanDerWaalsContact O-CB 3.29Å; S354-F358 WeakPolarHBondContact O-CB 3.37Å; S354-F358 PolarHBondContact O-N 2.7Å; S354-F502 VanDerWaalsContact O-CZ 3.3Å; S354-F502 WeakPolarHBondContact O-CZ 3.21Å; S354-S507 WeakPolarHBondContact CB-OG 3.49Å; S354-S507 VanDerWaalsContact OG-CB 3.27Å; S354-S507 WeakPolarHBondContact OG-CB 3.5Å; S354-S507 PolarHBondContact OG-OG 2.85Å
355	L	92.4	Very high	93.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-68	-41.9	177.5	178.8	67.6	0	0	0	111.4	Y310 L352 L357 F358 D359 I509 F512	Y310-L355 HydrophobicContact CD1-CD2 3.68Å; Y310-L355 HydrophobicContact CD1-CG 4.33Å; Y310-L355 HydrophobicContact CE1-CD2 3.72Å; Y310-L355 HydrophobicContact CE1-CG 3.9Å; L352-L355 HydrophobicContact CD1-CB 4.27Å; L352-L355 HydrophobicContact CD1-CD2 3.89Å; L352-L355 WeakPolarHBondContact O-CB 3.45Å; L352-L355 PolarHBondContact O-N 2.95Å; L355-L357 VanDerWaalsContact C-N 3.35Å; L355-F358 PolarHBondContact O-N 3.29Å; L355-D359 PolarHBondContact O-N 2.77Å; L355-I509 HydrophobicContact CB-CG1 4.38Å; L355-I509 HydrophobicContact CD1-CG1 4.29Å; L355-F512 HydrophobicContact CD1-CB 3.83Å; L355-F512 HydrophobicContact CD1-CG 4.18Å; L355-F512 HydrophobicContact CD2-CB 4.03Å; L355-F512 HydrophobicContact CD2-CD1 3.35Å; L355-F512 HydrophobicContact CD2-CD2 3.72Å; L355-F512 HydrophobicContact CD2-CE1 3.39Å; L355-F512 HydrophobicContact CD2-CE2 3.78Å; L355-F512 HydrophobicContact CD2-CG 3.44Å; L355-F512 VanDerWaalsContact CD2-CG 3.44Å; L355-F512 HydrophobicContact CD2-CZ 3.55Å; L355-F512 HydrophobicContact CG-CG 4.46Å
356	I	92.8	Very high	92	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.7	-48.8	176.6	-62.8	164.4	0	0	0	109.9	W272 Y310 I319 V323 L352 G353 F358 D359 I360	W272-I356 HydrophobicContact CH2-CD1 3.57Å; W272-I356 HydrophobicContact CZ2-CD1 3.4Å; W272-I356 VanDerWaalsContact CZ2-CD1 3.4Å; Y310-I356 HydrophobicContact CD2-CG1 3.99Å; Y310-I356 HydrophobicContact CE2-CG1 3.7Å; I319-I356 HydrophobicContact CG2-CD1 3.66Å; I319-I356 HydrophobicContact CG2-CG1 4.2Å; V323-I356 HydrophobicContact CB-CG2 4.24Å; V323-I356 HydrophobicContact CG1-CG2 4.1Å; V323-I356 HydrophobicContact CG2-CG2 4.18Å; L352-I356 HydrophobicContact CG-CD1 4.13Å; L352-I356 HydrophobicContact CG-CG1 4.37Å; L352-I356 WeakPolarHBondContact O-CG1 3.23Å; L352-I356 PolarHBondContact O-N 2.96Å; L352-I356 VanDerWaalsContact O-N 3.08Å; G353-I356 PolarHBondContact O-N 3.24Å; I356-F358 PolarHBondContact O-N 3.2Å; I356-D359 PolarHBondContact O-N 3.42Å; I356-I360 HydrophobicContact CG2-CD1 3.86Å; I356-I360 VanDerWaalsContact O-CG1 3.32Å; I356-I360 WeakPolarHBondContact O-CG1 3.46Å; I356-I360 PolarHBondContact O-N 2.91Å
357	L	95.6	Very high	89.8	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.4	-40.5	177.5	-72.4	-178	0	0	0	112.3	V220 M327 I347 G353 S354 L355 I360 L361 F502	V220-L357 HydrophobicContact CB-CD1 3.97Å; V220-L357 HydrophobicContact CB-CD2 4.41Å; V220-L357 HydrophobicContact CB-CG 4.13Å; V220-L357 HydrophobicContact CG2-CD1 3.93Å; V220-L357 HydrophobicContact CG2-CD2 3.77Å; V220-L357 HydrophobicContact CG2-CG 4.02Å; M327-L357 HydrophobicContact CE-CD2 3.8Å; M327-L357 HydrophobicContact SD-CD2 3.7Å; I347-L357 HydrophobicContact CB-CD1 4.1Å; I347-L357 HydrophobicContact CD1-CB 4.11Å; I347-L357 HydrophobicContact CD1-CD1 4.01Å; I347-L357 HydrophobicContact CD1-CD2 3.99Å; I347-L357 HydrophobicContact CD1-CG 4.26Å; I347-L357 HydrophobicContact CG1-CD1 4.17Å; G353-L357 WeakPolarHBondContact O-CB 3.36Å; G353-L357 VanDerWaalsContact O-CG 3.31Å; G353-L357 WeakPolarHBondContact O-CG 3.43Å; G353-L357 PolarHBondContact O-N 2.82Å; S354-L357 PolarHBondContact O-N 3.2Å; L355-L357 VanDerWaalsContact C-N 3.35Å; L357-I360 PolarHBondContact O-N 3.14Å; L357-L361 WeakPolarHBondContact O-CB 3.09Å; L357-L361 WeakPolarHBondContact O-CG 3.25Å; L357-L361 PolarHBondContact O-N 3.24Å; L357-F502 HydrophobicContact CB-CE2 3.9Å; L357-F502 HydrophobicContact CB-CZ 3.99Å; L357-F502 HydrophobicContact CD1-CD2 4.44Å; L357-F502 HydrophobicContact CD1-CE2 3.99Å
358	F	95.1	Very high	87.6	Confident	9 Å²	9	25.5 Å²	25.5	4%	0.039	14%	0.135	C	C	.	.	H	α-helix	trans	-59	-48.7	175.2	-174.7	-83.7	0	0	0	111	S354 L355 I356 I360 L361 T362 F502 I509 L513 F527 F533	S354-F358 VanDerWaalsContact O-CB 3.29Å; S354-F358 WeakPolarHBondContact O-CB 3.37Å; S354-F358 PolarHBondContact O-N 2.7Å; L355-F358 PolarHBondContact O-N 3.29Å; I356-F358 PolarHBondContact O-N 3.2Å; F358-I360 PolarHBondContact O-N 2.61Å; F358-L361 PolarHBondContact O-N 2.8Å; F358-T362 HydrophobicContact CD1-CG2 3.77Å; F358-T362 HydrophobicContact CE1-CG2 3.38Å; F358-T362 HydrophobicContact CE2-CG2 4.48Å; F358-T362 HydrophobicContact CG-CG2 4.45Å; F358-T362 HydrophobicContact CZ-CG2 3.79Å; F358-T362 WeakPolarHBondContact O-CB 3.35Å; F358-T362 VanDerWaalsContact O-CG2 3.3Å; F358-T362 WeakPolarHBondContact O-CG2 3.43Å; F358-T362 PolarHBondContact O-N 3.37Å; F358-T362 PolarHBondContact O-OG1 2.89Å; F358-F502 HydrophobicContact CB-CE1 4.01Å; F358-F502 HydrophobicContact CB-CZ 4.45Å; F358-F502 HydrophobicContact CD2-CE1 4.18Å; F358-I509 HydrophobicContact CB-CD1 3.82Å; F358-I509 HydrophobicContact CB-CG1 4.09Å; F358-I509 HydrophobicContact CD1-CG2 4.32Å; F358-I509 HydrophobicContact CD2-CD1 3.88Å; F358-I509 HydrophobicContact CD2-CG1 4.43Å; F358-I509 HydrophobicContact CD2-CG2 3.87Å; F358-I509 HydrophobicContact CE1-CG2 4.46Å; F358-I509 HydrophobicContact CE2-CG2 4Å; F358-I509 HydrophobicContact CG-CD1 4.09Å; F358-I509 HydrophobicContact CG-CG1 4.3Å; F358-I509 HydrophobicContact CG-CG2 4.05Å; F358-I509 HydrophobicContact CZ-CG2 4.31Å; F358-L513 HydrophobicContact CE1-CD1 4.14Å; F358-L513 HydrophobicContact CE1-CD2 3.84Å; F358-L513 HydrophobicContact CE1-CG 4.48Å; F358-L513 HydrophobicContact CZ-CD1 3.93Å; F358-L513 HydrophobicContact CZ-CD2 4.45Å; F358-F527 AromaticContact CD2-CE1 3.95Å; F358-F527 HydrophobicContact CD2-CE1 3.95Å; F358-F527 AromaticContact CD2-CZ 3.61Å; F358-F527 HydrophobicContact CD2-CZ 3.61Å; F358-F527 AromaticContact CE2-CE1 3.9Å; F358-F527 HydrophobicContact CE2-CE1 3.9Å; F358-F527 AromaticContact CE2-CZ 3.52Å; F358-F527 HydrophobicContact CE2-CZ 3.52Å; F358-F527 HydrophobicContact CG-CE1 4.49Å; F358-F527 HydrophobicContact CZ-CE1 4.38Å; F358-F527 HydrophobicContact CZ-CZ 4.37Å; F358-F533 HydrophobicContact CD2-CZ 4.41Å
359	D	93.3	Very high	84.9	Confident	5 Å²	5	28 Å²	28	3%	0.027	16%	0.161	C	C	.	.	H	α-helix	trans	-64.4	-40.9	178.6	-72.5	-12	0	0	0	111.6	Y310 L355 I356 T362 N363 Y492 R516	Y310-D359 VanDerWaalsContact CE1-OD2 3.26Å; Y310-D359 WeakPolarHBondContact CE1-OD2 3.35Å; Y310-D359 WeakPolarHBondContact OH-CB 3.45Å; Y310-D359 PolarHBondContact OH-OD2 3.29Å; L355-D359 PolarHBondContact O-N 2.77Å; I356-D359 PolarHBondContact O-N 3.42Å; D359-T362 WeakPolarHBondContact CA-OG1 3.27Å; D359-T362 PolarHBondContact O-OG1 3.08Å; D359-N363 PolarHBondContact O-N 3.47Å; D359-N363 PolarHBondContact O-ND2 2.72Å; D359-Y492 HydrophobicContact CB-CD1 4.37Å; D359-Y492 HydrophobicContact CB-CE1 3.48Å; D359-Y492 VanDerWaalsContact CB-CE1 3.48Å; D359-R516 VanDerWaalsContact CG-NH1 3.33Å; D359-R516 IonicContact OD1-CZ 3.99Å; D359-R516 IonicContact OD1-NH1 3.04Å; D359-R516 PolarHBondContact OD1-NH1 3.29Å; D359-R516 IonicContact OD1-NH2 2.78Å; D359-R516 IonicContact OD2-CZ 2.89Å; D359-R516 IonicContact OD2-NH1 2.68Å; D359-R516 PolarHBondContact OD2-NH1 3.28Å; D359-R516 VanDerWaalsContact OD2-NH1 3.09Å; D359-R516 IonicContact OD2-NH2 3.06Å; D359-R516 PolarHBondContact OD2-NH2 2.85Å
360	I	94.6	Very high	82.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-49	173.4	-70.5	168.4	0	0	0	110.5	V320 V323 A324 I356 L357 F358 N363 Q364 Y492 L495	V320-I360 HydrophobicContact CG1-CD1 4.43Å; V320-I360 HydrophobicContact CG1-CG1 4.01Å; V323-I360 HydrophobicContact CB-CD1 4.48Å; V323-I360 HydrophobicContact CG1-CD1 4.02Å; A324-I360 HydrophobicContact CB-CD1 4.32Å; I356-I360 HydrophobicContact CG2-CD1 3.86Å; I356-I360 VanDerWaalsContact O-CG1 3.32Å; I356-I360 WeakPolarHBondContact O-CG1 3.46Å; I356-I360 PolarHBondContact O-N 2.91Å; L357-I360 PolarHBondContact O-N 3.14Å; F358-I360 PolarHBondContact O-N 2.61Å; I360-N363 PolarHBondContact O-N 2.79Å; I360-Q364 WeakPolarHBondContact O-CG 3.31Å; I360-Q364 PolarHBondContact O-N 2.79Å; I360-Q364 PolarHBondContact O-NE2 3.27Å; I360-Y492 HydrophobicContact CG1-CD1 4.23Å; I360-L495 HydrophobicContact CG2-CD1 4.23Å; I360-L495 HydrophobicContact CG2-CD2 4.44Å; I360-L495 HydrophobicContact CG2-CG 4.16Å
361	L	94.6	Very high	79.9	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.7	-45.6	-177.3	-78.1	-174.7	0	0	0	112.9	I347 L357 F358 N363 Q364 P499 F502 F527 P528 C530	I347-L361 HydrophobicContact CD1-CD1 3.55Å; I347-L361 HydrophobicContact CD1-CD2 3.99Å; I347-L361 HydrophobicContact CD1-CG 3.78Å; I347-L361 HydrophobicContact CG1-CD1 4.46Å; L357-L361 WeakPolarHBondContact O-CB 3.09Å; L357-L361 WeakPolarHBondContact O-CG 3.25Å; L357-L361 PolarHBondContact O-N 3.24Å; F358-L361 PolarHBondContact O-N 2.8Å; L361-N363 PolarHBondContact O-N 3.18Å; L361-Q364 HydrophobicContact CD2-CG 4.48Å; L361-Q364 WeakPolarHBondContact O-CB 3.35Å; L361-Q364 PolarHBondContact O-N 3.31Å; L361-P499 HydrophobicContact CD2-CG 4.07Å; L361-F502 HydrophobicContact CD1-CB 3.79Å; L361-F502 HydrophobicContact CD1-CD1 3.7Å; L361-F502 HydrophobicContact CD1-CE1 4.5Å; L361-F502 HydrophobicContact CD1-CG 3.81Å; L361-F527 HydrophobicContact CB-CD1 3.68Å; L361-F527 HydrophobicContact CB-CE1 3.9Å; L361-F527 HydrophobicContact CB-CG 4.4Å; L361-F527 HydrophobicContact CD1-CD1 4.46Å; L361-P528 WeakPolarHBondContact O-CD 3.37Å; L361-C530 HydrophobicContact CD1-CB 4.1Å; L361-C530 HydrophobicContact CD2-CB 4.27Å
362	T	91.9	Very high	77.4	Confident	23 Å²	23	43 Å²	43	14%	0.141	24%	0.239	C	C	.	.	H	α-helix	trans	-60.7	-29	178.8	50.7	0	0	0	0	112.6	F358 D359 Y525 F527	F358-T362 HydrophobicContact CD1-CG2 3.77Å; F358-T362 HydrophobicContact CE1-CG2 3.38Å; F358-T362 HydrophobicContact CE2-CG2 4.48Å; F358-T362 HydrophobicContact CG-CG2 4.45Å; F358-T362 HydrophobicContact CZ-CG2 3.79Å; F358-T362 WeakPolarHBondContact O-CB 3.35Å; F358-T362 VanDerWaalsContact O-CG2 3.3Å; F358-T362 WeakPolarHBondContact O-CG2 3.43Å; F358-T362 PolarHBondContact O-N 3.37Å; F358-T362 PolarHBondContact O-OG1 2.89Å; D359-T362 WeakPolarHBondContact CA-OG1 3.27Å; D359-T362 PolarHBondContact O-OG1 3.08Å; T362-Y525 WeakPolarHBondContact CA-OH 3.49Å; T362-Y525 WeakPolarHBondContact CB-OH 3.39Å; T362-Y525 HydrophobicContact CG2-CE1 4.42Å; T362-Y525 VanDerWaalsContact CG2-OH 3.28Å; T362-Y525 WeakPolarHBondContact CG2-OH 3.35Å; T362-F527 HydrophobicContact CG2-CD1 4.09Å; T362-F527 HydrophobicContact CG2-CE1 3.65Å
363	N	91.6	Very high	74.9	Confident	54 Å²	54	45.5 Å²	45.5	29%	0.289	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	6.8	178.6	-71.4	-82.7	0	0	0	113.6	D359 I360 L361 Y492 R494	D359-N363 PolarHBondContact O-N 3.47Å; D359-N363 PolarHBondContact O-ND2 2.72Å; I360-N363 PolarHBondContact O-N 2.79Å; L361-N363 PolarHBondContact O-N 3.18Å; N363-Y492 HydrophobicContact CB-CD2 3.68Å; N363-Y492 HydrophobicContact CB-CG 3.69Å; N363-Y492 WeakPolarHBondContact ND2-CD2 3.23Å; N363-Y492 WeakPolarHBondContact ND2-CE2 3.44Å; N363-R494 PolarHBondContact O-NH1 3.33Å; N363-R494 PolarHBondContact O-NH2 3.09Å
364	Q	91.5	Very high	72.3	Confident	11 Å²	11	53.5 Å²	53.5	5%	0.051	29%	0.294	C	S	.	.			trans	-66.7	166	171.7	-64.6	-51.2	-59.7	0	0	111.9	I360 L361 P493 P528 T529	I360-Q364 WeakPolarHBondContact O-CG 3.31Å; I360-Q364 PolarHBondContact O-N 2.79Å; I360-Q364 PolarHBondContact O-NE2 3.27Å; L361-Q364 HydrophobicContact CD2-CG 4.48Å; L361-Q364 WeakPolarHBondContact O-CB 3.35Å; L361-Q364 PolarHBondContact O-N 3.31Å; Q364-P493 PolarHBondContact NE2-O 3.2Å; Q364-P528 HydrophobicContact CB-CB 4.18Å; Q364-P528 HydrophobicContact CB-CG 4.47Å; Q364-P528 WeakPolarHBondContact O-CG 3.36Å; Q364-T529 HydrophobicContact CB-CG2 3.81Å; Q364-T529 HydrophobicContact CG-CG2 4.44Å
365	K	85.5	Confident	69.4	Low	111 Å²	111	60.9 Å²	60.9	48%	0.483	33%	0.326	S	S	.	.			trans	-132.1	139.9	-178	-85	-178.2	-175.1	-171.5	0	106.7	S367 R494	K365-S367 PolarHBondContact O-N 2.82Å; K365-R494 VanDerWaalsContact CE-NH2 3.31Å; K365-R494 VanDerWaalsContact CG-CZ 3.49Å; K365-R494 VanDerWaalsContact CG-NH2 3.33Å
366	D	69.3	Low	66.4	Low	112 Å²	112	67 Å²	67	60%	0.599	36%	0.359	S	S	*	.	S	Bend	trans	-87.7	56.9	-173.3	-140	-3.1	0	0	0	110.6	K498 P528	D366-K498 IonicContact OD1-NZ 3.53Å; D366-K498 PolarHBondContact OD1-NZ 2.63Å; D366-K498 VanDerWaalsContact OD1-NZ 3.14Å; D366-P528 VanDerWaalsContact OD1-O 3.12Å
367	S	51.7	Low	63.5	Low	46 Å²	46	71.8 Å²	71.8	32%	0.322	39%	0.393	S	S	.	.			trans	-151.5	103.3	179.9	14.8	0	0	0	0	113	K365 D370	K365-S367 PolarHBondContact O-N 2.82Å; S367-D370 VanDerWaalsContact CB-OD2 3.27Å; S367-D370 WeakPolarHBondContact CB-OD2 3.24Å; S367-D370 PolarHBondContact OG-OD2 2.77Å
368	L	52.1	Low	60.5	Low	147 Å²	147	78.5 Å²	78.5	77%	0.77	43%	0.428	S	S	*	.	S	Bend	trans	-78.2	5.5	137.2	-86.8	161.3	0	0	0	111
369	G	41.3	Very low	57.2	Low	55 Å²	55	84.4 Å²	84.4	57%	0.567	46%	0.459	S	S	*	.	S	Bend	trans	-101.5	1.1	178.5	0	0	0	0	0	115.8
370	D	40.8	Very low	54.4	Low	90 Å²	90	91.5 Å²	91.5	48%	0.481	50%	0.496	S	S	.	.	S	Bend	trans	-101.5	8	179.4	-86.4	-39	0	0	0	113.9	S367 S373	S367-D370 VanDerWaalsContact CB-OD2 3.27Å; S367-D370 WeakPolarHBondContact CB-OD2 3.24Å; S367-D370 PolarHBondContact OG-OD2 2.77Å; D370-S373 WeakPolarHBondContact CA-OG 3.34Å; D370-S373 PolarHBondContact O-OG 3.41Å; D370-S373 PolarHBondContact OD1-OG 2.94Å
371	I	41.1	Very low	51.1	Low	126 Å²	126	97.8 Å²	97.8	65%	0.646	53%	0.534	S	S	*	.	S	Bend	trans	-84.6	-19.8	170.9	-58.5	177	0	0	0	110.5
372	D	35.6	Very low	48.3	Very low	113 Å²	113	106 Å²	106	60%	0.604	57%	0.574	S	S	*	*	S	Bend	trans	-95.5	-15	175.5	-74.9	-27.3	0	0	0	113.8	K375 D376	D372-K375 PolarHBondContact O-N 3.3Å; D372-K375 VanDerWaalsContact O-N 3.14Å; D372-D376 PolarHBondContact O-N 2.7Å
373	S	35.9	Very low	45.1	Very low	53 Å²	53	112.2 Å²	112.2	37%	0.371	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77	-18.9	175.4	55.2	0	0	0	0	113.8	D370 S377	D370-S373 WeakPolarHBondContact CA-OG 3.34Å; D370-S373 PolarHBondContact O-OG 3.41Å; D370-S373 PolarHBondContact OD1-OG 2.94Å; S373-S377 PolarHBondContact O-OG 2.99Å
374	E	37.3	Very low	42.1	Very low	168 Å²	168	118.2 Å²	118.2	79%	0.785	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-15.2	165.3	-75.7	-154.3	160.8	0	0	113.3
375	K	34	Very low	39.4	Very low	155 Å²	155	121 Å²	121	67%	0.674	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-25.1	175.4	-85.1	-177.3	176.8	173.6	0	114.1	D372 S377	D372-K375 PolarHBondContact O-N 3.3Å; D372-K375 VanDerWaalsContact O-N 3.14Å; K375-S377 VanDerWaalsContact C-N 3.28Å; K375-S377 PolarHBondContact O-N 3.47Å
376	D	29.6	Very low	37.1	Very low	130 Å²	130	123.5 Å²	123.5	70%	0.695	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-2.3	175.5	-101.2	-9.9	0	0	0	114.5	D372 L378	D372-D376 PolarHBondContact O-N 2.7Å; D376-L378 VanDerWaalsContact C-N 3.32Å
377	S	30.3	Very low	36	Very low	100 Å²	100	124.2 Å²	124.2	70%	0.699	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	6	172.1	-60.4	0	0	0	0	113.9	S373 K375	S373-S377 PolarHBondContact O-OG 2.99Å; K375-S377 VanDerWaalsContact C-N 3.28Å; K375-S377 PolarHBondContact O-N 3.47Å
378	L	33.7	Very low	36.4	Very low	141 Å²	141	123.3 Å²	123.3	74%	0.738	69%	0.685	S	S	*	*			trans	-115	38.3	178.5	-70.5	174.1	0	0	0	113.4	D376	D376-L378 VanDerWaalsContact C-N 3.32Å
379	N	25.8	Very low	37.4	Very low	132 Å²	132	119.8 Å²	119.8	71%	0.706	67%	0.669	S	S	*	*			trans	-112	95.3	161.7	-80.1	-41.9	0	0	0	110.2	V381	N379-V381 PolarHBondContact O-N 2.67Å; N379-V381 VanDerWaalsContact O-N 3.15Å
380	I	34.3	Very low	39.2	Very low	155 Å²	155	118.3 Å²	118.3	80%	0.795	65%	0.648	S	S	*	*			trans	-56.9	110.2	165.8	-65.7	168	0	0	0	108.2	M382	I380-M382 HydrophobicContact CG2-CG 4.05Å
381	V	25.9	Very low	41	Very low	132 Å²	132	119.1 Å²	119.1	80%	0.8	65%	0.649	S	S	*	*			trans	-109.1	109.1	148.4	-179.9	0	0	0	0	106.1	N379 D383	N379-V381 PolarHBondContact O-N 2.67Å; N379-V381 VanDerWaalsContact O-N 3.15Å; V381-D383 PolarHBondContact O-N 2.94Å
382	M	34.4	Very low	42.8	Very low	172 Å²	172	117.5 Å²	117.5	85%	0.847	64%	0.639	S	S	*	*			trans	-60.1	114.9	164.1	-69.3	165.4	57.8	0	0	107.9	I380	I380-M382 HydrophobicContact CG2-CG 4.05Å
383	D	25.5	Very low	45	Very low	153 Å²	153	112.2 Å²	112.2	82%	0.818	61%	0.61	S	S	*	*			trans	-130.4	137.6	155.2	-161.1	15.9	0	0	0	109.6	V381	V381-D383 PolarHBondContact O-N 2.94Å
384	Q	27.9	Very low	47.1	Very low	181 Å²	181	109.8 Å²	109.8	85%	0.846	59%	0.593	S	S	*	*			trans	-81.5	142.5	-166.9	-65.8	-179.5	2.8	0	0	111.5
385	G	35.6	Very low	49.2	Very low	68 Å²	68	109 Å²	109	70%	0.701	59%	0.587	S	S	*	*			trans	49.5	102.8	142.4	0	0	0	0	0	119.4
386	D	37.1	Very low	51.5	Low	165 Å²	165	108.1 Å²	108.1	88%	0.882	58%	0.584	S	S	*	*				-169.7	114.3	123.1	-92.5	-23.2	0	0	0	109.6	P388	D386-P388 WeakPolarHBondContact O-CD 3.36Å
387	T	46.4	Very low	53.9	Low	126 Å²	126	103.4 Å²	103.4	77%	0.773	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-74.9	121	170	47.9	0	0	0	0	108.3	T389	T387-T389 PolarHBondContact O-N 3.27Å
388	P	60	Low	56.4	Low	28 Å²	28	106.2 Å²	106.2	18%	0.182	56%	0.56	C	S	.	*	P	Polyproline II helix	trans	-60.8	138.2	-177.5	22	-31.7	0	0	0	110.7	D386 E392 K413	D386-P388 WeakPolarHBondContact O-CD 3.36Å; P388-E392 WeakPolarHBondContact CA-OE2 3.13Å; P388-E392 HydrophobicContact CB-CB 4.31Å; P388-E392 WeakPolarHBondContact CB-OE2 3.22Å; P388-K413 PolarHBondContact O-NZ 2.94Å
389	T	74	Confident	58.9	Low	72 Å²	72	99.7 Å²	99.7	44%	0.442	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-67.7	160.1	-178.8	57.6	0	0	0	0	111.2	T387 E391 E392 D393	T387-T389 PolarHBondContact O-N 3.27Å; T389-E391 PolarHBondContact O-N 3.36Å; T389-E392 PolarHBondContact N-OE2 3.36Å; T389-E392 PolarHBondContact O-N 2.99Å; T389-E392 VanDerWaalsContact O-N 3.14Å; T389-E392 WeakPolarHBondContact OG1-CG 3.07Å; T389-E392 PolarHBondContact OG1-OE1 3.49Å; T389-E392 VanDerWaalsContact OG1-OE1 3.09Å; T389-D393 PolarHBondContact O-N 3.46Å
390	L	78.1	Confident	61.6	Low	25 Å²	25	96.9 Å²	96.9	13%	0.131	52%	0.517	C	S	.	.	H	α-helix	trans	-57.3	-36.1	179.2	177	61.5	0	0	0	112	D393 L394 F406 V411 L416	L390-D393 PolarHBondContact O-N 2.69Å; L390-L394 HydrophobicContact CD1-CD1 4.3Å; L390-L394 HydrophobicContact CD1-CG 4.44Å; L390-L394 HydrophobicContact CG-CD1 4.18Å; L390-L394 WeakPolarHBondContact O-CG 3.37Å; L390-L394 PolarHBondContact O-N 2.8Å; L390-F406 HydrophobicContact CD2-CB 4.34Å; L390-V411 WeakPolarHBondContact CD2-O 3.34Å; L390-L416 HydrophobicContact CD1-CD2 3.54Å
391	E	78.2	Confident	64	Low	107 Å²	107	96.1 Å²	96.1	50%	0.5	51%	0.51	S	S	.	.	H	α-helix	trans	-63.4	-41.9	177.5	-163.1	-179.2	163.2	0	0	111.9	T389 L394 K395 F403	T389-E391 PolarHBondContact O-N 3.36Å; E391-L394 PolarHBondContact O-N 3.33Å; E391-K395 VanDerWaalsContact O-CB 3.28Å; E391-K395 WeakPolarHBondContact O-CB 3.12Å; E391-K395 PolarHBondContact O-N 2.91Å; E391-F403 HydrophobicContact CB-CD2 3.87Å; E391-F403 HydrophobicContact CB-CE2 3.47Å; E391-F403 VanDerWaalsContact CB-CE2 3.47Å; E391-F403 HydrophobicContact CB-CZ 3.96Å; E391-F403 HydrophobicContact CG-CD1 4.48Å; E391-F403 HydrophobicContact CG-CD2 3.89Å; E391-F403 HydrophobicContact CG-CE1 4.45Å; E391-F403 HydrophobicContact CG-CE2 3.86Å; E391-F403 HydrophobicContact CG-CG 4.2Å; E391-F403 HydrophobicContact CG-CZ 4.14Å
392	E	78.8	Confident	66.9	Low	92 Å²	92	90.8 Å²	90.8	43%	0.43	48%	0.476	S	S	.	.	H	α-helix	trans	-66.7	-38.4	177.6	-72.3	163	-154	0	0	112.5	P388 T389 K395 K396	P388-E392 WeakPolarHBondContact CA-OE2 3.13Å; P388-E392 HydrophobicContact CB-CB 4.31Å; P388-E392 WeakPolarHBondContact CB-OE2 3.22Å; T389-E392 PolarHBondContact N-OE2 3.36Å; T389-E392 PolarHBondContact O-N 2.99Å; T389-E392 VanDerWaalsContact O-N 3.14Å; T389-E392 WeakPolarHBondContact OG1-CG 3.07Å; T389-E392 PolarHBondContact OG1-OE1 3.49Å; T389-E392 VanDerWaalsContact OG1-OE1 3.09Å; E392-K395 PolarHBondContact O-N 2.99Å; E392-K396 WeakPolarHBondContact O-CG 3.32Å; E392-K396 PolarHBondContact O-N 2.88Å
393	D	81.4	Confident	69.3	Low	1 Å²	1	84.6 Å²	84.6	1%	0.005	44%	0.444	C	S	.	.	H	α-helix	trans	-68.9	-38.8	177.3	-74.6	-16.4	0	0	0	110.9	T389 L390 K396 L397 K413 Y440 R444	T389-D393 PolarHBondContact O-N 3.46Å; L390-D393 PolarHBondContact O-N 2.69Å; D393-K396 PolarHBondContact O-N 2.92Å; D393-K396 IonicContact OD1-NZ 3.39Å; D393-L397 WeakPolarHBondContact O-CG 3.5Å; D393-L397 PolarHBondContact O-N 3.03Å; D393-K413 VanDerWaalsContact OD2-CE 3.3Å; D393-K413 WeakPolarHBondContact OD2-CE 3.17Å; D393-K413 IonicContact OD2-NZ 2.74Å; D393-K413 PolarHBondContact OD2-NZ 3.11Å; D393-Y440 HydrophobicContact CB-CE1 3.92Å; D393-Y440 VanDerWaalsContact CG-OH 3.26Å; D393-Y440 PolarHBondContact OD1-OH 2.73Å; D393-R444 IonicContact OD2-NH1 3.36Å; D393-R444 PolarHBondContact OD2-NH1 3.14Å
394	L	81.6	Confident	72	Confident	2 Å²	2	82.7 Å²	82.7	1%	0.01	43%	0.434	C	S	.	.	H	α-helix	trans	-69.1	-36.2	173.2	-73.2	170.5	0	0	0	112.4	L390 E391 L397 Q398 L399 F403 F406 I437	L390-L394 HydrophobicContact CD1-CD1 4.3Å; L390-L394 HydrophobicContact CD1-CG 4.44Å; L390-L394 HydrophobicContact CG-CD1 4.18Å; L390-L394 WeakPolarHBondContact O-CG 3.37Å; L390-L394 PolarHBondContact O-N 2.8Å; E391-L394 PolarHBondContact O-N 3.33Å; L394-L397 CarbonylContact O-C 3.51Å; L394-L397 PolarHBondContact O-N 3.48Å; L394-Q398 PolarHBondContact O-N 3.3Å; L394-L399 HydrophobicContact CD2-CB 4.09Å; L394-L399 PolarHBondContact O-N 2.87Å; L394-F403 HydrophobicContact CD1-CB 4.4Å; L394-F403 HydrophobicContact CD1-CD2 4.01Å; L394-F406 HydrophobicContact CD1-CD2 3.69Å; L394-F406 HydrophobicContact CD1-CE2 4.05Å; L394-F406 HydrophobicContact CD2-CE2 4.09Å; L394-I437 HydrophobicContact CD2-CD1 4.1Å; L394-I437 HydrophobicContact CD2-CG1 4.29Å
395	K	81.6	Confident	74.8	Confident	152 Å²	152	76.6 Å²	76.6	66%	0.661	41%	0.407	S	S	*	.	H	α-helix	trans	-63.5	-40.8	173.9	-167.2	174.3	-175.8	175	0	111.7	E391 E392 L397 Q398	E391-K395 VanDerWaalsContact O-CB 3.28Å; E391-K395 WeakPolarHBondContact O-CB 3.12Å; E391-K395 PolarHBondContact O-N 2.91Å; E392-K395 PolarHBondContact O-N 2.99Å; K395-L397 VanDerWaalsContact C-N 3.27Å; K395-L397 PolarHBondContact O-N 2.76Å; K395-Q398 PolarHBondContact O-N 2.92Å
396	K	80.4	Confident	77.2	Confident	137 Å²	137	73.3 Å²	73.3	60%	0.596	37%	0.373	S	S	*	.	H	α-helix	trans	-60.6	-35.2	172.8	-75.8	171.6	-173.7	166.2	0	112.6	E392 D393 Q398	E392-K396 WeakPolarHBondContact O-CG 3.32Å; E392-K396 PolarHBondContact O-N 2.88Å; D393-K396 PolarHBondContact O-N 2.92Å; D393-K396 IonicContact OD1-NZ 3.39Å; K396-Q398 PolarHBondContact O-N 3.34Å
397	L	81.7	Confident	79.4	Confident	31 Å²	31	71.5 Å²	71.5	16%	0.162	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-2.5	177.2	-65.3	174.5	0	0	0	113.8	D393 L394 K395 L399 I437 Y440	D393-L397 WeakPolarHBondContact O-CG 3.5Å; D393-L397 PolarHBondContact O-N 3.03Å; L394-L397 CarbonylContact O-C 3.51Å; L394-L397 PolarHBondContact O-N 3.48Å; K395-L397 VanDerWaalsContact C-N 3.27Å; K395-L397 PolarHBondContact O-N 2.76Å; L397-L399 VanDerWaalsContact C-N 3.29Å; L397-L399 HydrophobicContact CB-CB 4.33Å; L397-L399 HydrophobicContact CB-CD1 3.93Å; L397-L399 HydrophobicContact CB-CG 3.96Å; L397-L399 HydrophobicContact CD1-CD1 4.44Å; L397-I437 HydrophobicContact CD1-CG1 4.44Å; L397-Y440 HydrophobicContact CD1-CD1 4.19Å; L397-Y440 HydrophobicContact CD1-CD2 4.36Å; L397-Y440 HydrophobicContact CD1-CG 3.87Å; L397-Y440 HydrophobicContact CD2-CD2 3.86Å; L397-Y440 HydrophobicContact CD2-CG 4.1Å; L397-Y440 HydrophobicContact CG-CD2 4.33Å; L397-Y440 HydrophobicContact CG-CG 4.34Å
398	Q	81.4	Confident	81.2	Confident	158 Å²	158	73.5 Å²	73.5	74%	0.738	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	40.5	-170.6	-57.2	174.6	-16.6	0	0	112.1	L394 K395 K396	L394-Q398 PolarHBondContact O-N 3.3Å; K395-Q398 PolarHBondContact O-N 2.92Å; K396-Q398 PolarHBondContact O-N 3.34Å
399	L	86.8	Confident	82.3	Confident	4 Å²	4	77.4 Å²	77.4	2%	0.021	37%	0.373	C	S	.	.			trans	-123.5	24.6	-176.4	-64.6	-178.7	0	0	0	112.4	L394 L397 E401 F402 P433 K436 I437	L394-L399 HydrophobicContact CD2-CB 4.09Å; L394-L399 PolarHBondContact O-N 2.87Å; L397-L399 VanDerWaalsContact C-N 3.29Å; L397-L399 HydrophobicContact CB-CB 4.33Å; L397-L399 HydrophobicContact CB-CD1 3.93Å; L397-L399 HydrophobicContact CB-CG 3.96Å; L397-L399 HydrophobicContact CD1-CD1 4.44Å; L399-E401 PolarHBondContact O-N 3.48Å; L399-E401 VanDerWaalsContact O-N 3.13Å; L399-F402 HydrophobicContact CB-CD2 4.04Å; L399-F402 HydrophobicContact CD2-CD2 4Å; L399-F402 HydrophobicContact CD2-CE2 3.85Å; L399-F402 PolarHBondContact O-N 3.08Å; L399-P433 HydrophobicContact CD1-CB 4.11Å; L399-P433 HydrophobicContact CD2-CB 3.66Å; L399-P433 HydrophobicContact CD2-CG 3.84Å; L399-K436 HydrophobicContact CD1-CB 4Å; L399-K436 HydrophobicContact CD1-CD 4.3Å; L399-K436 HydrophobicContact CD2-CD 4.39Å; L399-K436 HydrophobicContact CG-CD 4.5Å; L399-I437 HydrophobicContact CD1-CD1 4.01Å; L399-I437 HydrophobicContact CD1-CG1 3.62Å
400	S	83.3	Confident	82.8	Confident	73 Å²	73	83 Å²	83	51%	0.51	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-58.9	-25.3	-179.2	50.6	0	0	0	0	113.2	F402 F403	S400-F402 PolarHBondContact O-N 3.49Å; S400-F403 VanDerWaalsContact O-CB 3.29Å; S400-F403 WeakPolarHBondContact O-CB 3.37Å; S400-F403 PolarHBondContact O-N 3.03Å; S400-F403 VanDerWaalsContact O-N 3.15Å
401	E	84.3	Confident	82.9	Confident	139 Å²	139	82.5 Å²	82.5	65%	0.65	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-63.3	-18.1	175.5	67.3	-169	178.8	0	0	114.3	L399	L399-E401 PolarHBondContact O-N 3.48Å; L399-E401 VanDerWaalsContact O-N 3.13Å
402	F	86.4	Confident	83.1	Confident	21 Å²	21	81.6 Å²	81.6	9%	0.092	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-97.7	-0.3	177.6	-58.4	-77.9	0	0	0	113.1	L399 S400 D404 I405 F406 I429 P430 P433	L399-F402 HydrophobicContact CB-CD2 4.04Å; L399-F402 HydrophobicContact CD2-CD2 4Å; L399-F402 HydrophobicContact CD2-CE2 3.85Å; L399-F402 PolarHBondContact O-N 3.08Å; S400-F402 PolarHBondContact O-N 3.49Å; F402-D404 PolarHBondContact O-N 2.64Å; F402-I405 HydrophobicContact CD1-CD1 3.81Å; F402-I405 WeakPolarHBondContact O-CB 3.45Å; F402-I405 PolarHBondContact O-N 3.5Å; F402-F406 HydrophobicContact CB-CD2 4.48Å; F402-F406 HydrophobicContact CB-CE2 4.04Å; F402-F406 WeakPolarHBondContact O-CD2 3.42Å; F402-F406 PolarHBondContact O-N 3.14Å; F402-I429 HydrophobicContact CD1-CG1 4.27Å; F402-I429 HydrophobicContact CD1-CG2 4.2Å; F402-I429 HydrophobicContact CE1-CG2 4.27Å; F402-P430 HydrophobicContact CE1-CG 4.45Å; F402-P430 HydrophobicContact CZ-CG 4.42Å; F402-P433 HydrophobicContact CD2-CB 4.21Å; F402-P433 HydrophobicContact CD2-CG 4.45Å; F402-P433 HydrophobicContact CE2-CB 3.72Å; F402-P433 HydrophobicContact CE2-CG 3.5Å; F402-P433 HydrophobicContact CZ-CB 4.09Å; F402-P433 HydrophobicContact CZ-CG 3.65Å
403	F	84.9	Confident	83.1	Confident	41 Å²	41	79.5 Å²	79.5	18%	0.18	38%	0.378	C	S	.	.	H	α-helix	trans	-59.3	-45.4	-177.8	-177.8	-101.6	0	0	0	112	E391 L394 S400 I405 F406 E407	E391-F403 HydrophobicContact CB-CD2 3.87Å; E391-F403 HydrophobicContact CB-CE2 3.47Å; E391-F403 VanDerWaalsContact CB-CE2 3.47Å; E391-F403 HydrophobicContact CB-CZ 3.96Å; E391-F403 HydrophobicContact CG-CD1 4.48Å; E391-F403 HydrophobicContact CG-CD2 3.89Å; E391-F403 HydrophobicContact CG-CE1 4.45Å; E391-F403 HydrophobicContact CG-CE2 3.86Å; E391-F403 HydrophobicContact CG-CG 4.2Å; E391-F403 HydrophobicContact CG-CZ 4.14Å; L394-F403 HydrophobicContact CD1-CB 4.4Å; L394-F403 HydrophobicContact CD1-CD2 4.01Å; S400-F403 VanDerWaalsContact O-CB 3.29Å; S400-F403 WeakPolarHBondContact O-CB 3.37Å; S400-F403 PolarHBondContact O-N 3.03Å; S400-F403 VanDerWaalsContact O-N 3.15Å; F403-I405 PolarHBondContact O-N 3.09Å; F403-I405 VanDerWaalsContact O-N 3.15Å; F403-F406 PolarHBondContact O-N 2.99Å; F403-E407 PolarHBondContact O-N 2.58Å
404	D	82.3	Confident	82.9	Confident	113 Å²	113	86.8 Å²	86.8	60%	0.604	41%	0.412	S	S	*	.	H	α-helix	trans	-59.6	-28.8	179.6	-59.1	-15.5	0	0	0	112.8	F402 K408	F402-D404 PolarHBondContact O-N 2.64Å; D404-K408 WeakPolarHBondContact O-CB 3.32Å; D404-K408 PolarHBondContact O-N 3.02Å
405	I	86.2	Confident	82.7	Confident	53 Å²	53	88.5 Å²	88.5	27%	0.272	43%	0.426	S	S	.	.	H	α-helix	trans	-72	-44	177.8	-66.1	162.2	0	0	0	110.1	F402 F403 K408 E409 M427	F402-I405 HydrophobicContact CD1-CD1 3.81Å; F402-I405 WeakPolarHBondContact O-CB 3.45Å; F402-I405 PolarHBondContact O-N 3.5Å; F403-I405 PolarHBondContact O-N 3.09Å; F403-I405 VanDerWaalsContact O-N 3.15Å; I405-K408 PolarHBondContact O-N 3.38Å; I405-E409 WeakPolarHBondContact O-CG 3.4Å; I405-E409 PolarHBondContact O-N 3.2Å; I405-E409 VanDerWaalsContact O-N 3.08Å; I405-M427 HydrophobicContact CG2-CB 4.13Å; I405-M427 WeakPolarHBondContact CG2-O 3.49Å
406	F	86.7	Confident	82.7	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-69.2	-37.2	176.9	-65.2	-62.6	0	0	0	112.2	L390 L394 F402 F403 E409 K410 V411 L416 L424 M427 I429 I437	L390-F406 HydrophobicContact CD2-CB 4.34Å; L394-F406 HydrophobicContact CD1-CD2 3.69Å; L394-F406 HydrophobicContact CD1-CE2 4.05Å; L394-F406 HydrophobicContact CD2-CE2 4.09Å; F402-F406 HydrophobicContact CB-CD2 4.48Å; F402-F406 HydrophobicContact CB-CE2 4.04Å; F402-F406 WeakPolarHBondContact O-CD2 3.42Å; F402-F406 PolarHBondContact O-N 3.14Å; F403-F406 PolarHBondContact O-N 2.99Å; F406-E409 PolarHBondContact O-N 2.95Å; F406-K410 PolarHBondContact O-N 3.14Å; F406-V411 HydrophobicContact CB-CB 4.26Å; F406-V411 HydrophobicContact CD1-CB 3.99Å; F406-V411 HydrophobicContact CD1-CG1 4.04Å; F406-V411 HydrophobicContact CD1-CG2 4.41Å; F406-V411 PolarHBondContact O-N 3.01Å; F406-L416 HydrophobicContact CD1-CD1 3.89Å; F406-L416 HydrophobicContact CE1-CD1 3.33Å; F406-L416 HydrophobicContact CZ-CD1 3.79Å; F406-L416 HydrophobicContact CZ-CD2 4.5Å; F406-L424 HydrophobicContact CE1-CD2 3.74Å; F406-L424 HydrophobicContact CZ-CD2 4.04Å; F406-M427 HydrophobicContact CD1-SD 4.28Å; F406-M427 HydrophobicContact CE1-SD 4.05Å; F406-I429 HydrophobicContact CE1-CD1 3.67Å; F406-I429 HydrophobicContact CE2-CD1 3.9Å; F406-I429 HydrophobicContact CZ-CD1 3.17Å; F406-I437 HydrophobicContact CE2-CD1 3.88Å; F406-I437 HydrophobicContact CZ-CD1 3.61Å
407	E	83.2	Confident	82.7	Confident	126 Å²	126	76.2 Å²	76.2	59%	0.589	38%	0.378	S	S	*	.	H	α-helix	trans	-64.5	-44.1	174.8	-168.4	-178.2	-158.5	0	0	111.3	F403 E409 K410	F403-E407 PolarHBondContact O-N 2.58Å; E407-E409 PolarHBondContact O-N 3.1Å; E407-K410 PolarHBondContact O-N 3.37Å; E407-K410 VanDerWaalsContact O-N 3.07Å
408	K	83.6	Confident	82.6	Confident	169 Å²	169	80.7 Å²	80.7	74%	0.735	40%	0.401	S	S	*	.	H	α-helix	trans	-62.3	-40.2	178	-175.1	-178.9	177.8	-171.5	0	112.9	D404 I405 K410	D404-K408 WeakPolarHBondContact O-CB 3.32Å; D404-K408 PolarHBondContact O-N 3.02Å; I405-K408 PolarHBondContact O-N 3.38Å; K408-K410 PolarHBondContact O-N 3.37Å
409	E	83.9	Confident	82.6	Confident	110 Å²	110	74.1 Å²	74.1	51%	0.514	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	3.7	176.6	-65.6	-60.8	144.7	0	0	113	I405 F406 E407 V411 M427	I405-E409 WeakPolarHBondContact O-CG 3.4Å; I405-E409 PolarHBondContact O-N 3.2Å; I405-E409 VanDerWaalsContact O-N 3.08Å; F406-E409 PolarHBondContact O-N 2.95Å; E407-E409 PolarHBondContact O-N 3.1Å; E409-V411 HydrophobicContact CB-CG2 3.84Å; E409-V411 PolarHBondContact O-N 3.02Å; E409-M427 HydrophobicContact CG-CG 4.42Å
410	K	83.2	Confident	82.5	Confident	188 Å²	188	77.4 Å²	77.4	82%	0.817	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	37.2	-177.8	-59.5	-175.8	177	-177.9	0	113.5	F406 E407 K408 D412	F406-K410 PolarHBondContact O-N 3.14Å; E407-K410 PolarHBondContact O-N 3.37Å; E407-K410 VanDerWaalsContact O-N 3.07Å; K408-K410 PolarHBondContact O-N 3.37Å; K410-D412 PolarHBondContact O-N 3.49Å
411	V	82.1	Confident	82.6	Confident	15 Å²	15	76 Å²	76	9%	0.091	38%	0.38	C	S	.	.			trans	-86.3	107.9	178	-178.9	0	0	0	0	108.4	L390 F406 E409 A415 L416 M427	L390-V411 WeakPolarHBondContact CD2-O 3.34Å; F406-V411 HydrophobicContact CB-CB 4.26Å; F406-V411 HydrophobicContact CD1-CB 3.99Å; F406-V411 HydrophobicContact CD1-CG1 4.04Å; F406-V411 HydrophobicContact CD1-CG2 4.41Å; F406-V411 PolarHBondContact O-N 3.01Å; E409-V411 HydrophobicContact CB-CG2 3.84Å; E409-V411 PolarHBondContact O-N 3.02Å; V411-A415 HydrophobicContact CG1-CB 3.98Å; V411-L416 HydrophobicContact CG1-CB 3.92Å; V411-L416 HydrophobicContact CG1-CD1 4.05Å; V411-M427 HydrophobicContact CG2-CE 3.7Å; V411-M427 HydrophobicContact CG2-SD 4.28Å
412	D	81.2	Confident	82.5	Confident	89 Å²	89	77.8 Å²	77.8	48%	0.476	38%	0.381	S	S	.	.			trans	-84.2	179.9	171.9	66.9	28.9	0	0	0	111.9	K410 E414 A415 L416	K410-D412 PolarHBondContact O-N 3.49Å; D412-E414 VanDerWaalsContact C-N 3.27Å; D412-E414 PolarHBondContact O-N 2.95Å; D412-E414 PolarHBondContact OD1-N 2.92Å; D412-A415 PolarHBondContact O-N 3.15Å; D412-A415 WeakPolarHBondContact OD1-CB 3.18Å; D412-A415 PolarHBondContact OD1-N 2.93Å; D412-L416 WeakPolarHBondContact O-CB 3.28Å; D412-L416 PolarHBondContact O-N 3.04Å
413	K	79.3	Confident	82.6	Confident	48 Å²	48	79.6 Å²	79.6	21%	0.209	39%	0.391	C	S	.	.	H	α-helix	trans	-61.8	-32.6	-177.3	-175.4	172.9	179	150	0	113.5	P388 D393 A417 F441	P388-K413 PolarHBondContact O-NZ 2.94Å; D393-K413 VanDerWaalsContact OD2-CE 3.3Å; D393-K413 WeakPolarHBondContact OD2-CE 3.17Å; D393-K413 IonicContact OD2-NZ 2.74Å; D393-K413 PolarHBondContact OD2-NZ 3.11Å; K413-A417 PolarHBondContact O-N 2.93Å; K413-F441 HydrophobicContact CG-CE1 3.94Å; K413-F441 HydrophobicContact CG-CZ 4.38Å
414	E	76.5	Confident	82.7	Confident	154 Å²	154	77.6 Å²	77.6	72%	0.72	38%	0.383	S	S	*	.	H	α-helix	trans	-78.8	-41.6	-179	-65.1	177.9	-178.1	0	0	110.4	D412 A417 L418	D412-E414 VanDerWaalsContact C-N 3.27Å; D412-E414 PolarHBondContact O-N 2.95Å; D412-E414 PolarHBondContact OD1-N 2.92Å; E414-A417 PolarHBondContact O-N 2.89Å; E414-L418 PolarHBondContact O-N 2.82Å
415	A	78.8	Confident	82.8	Confident	38 Å²	38	77.5 Å²	77.5	31%	0.314	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-43	172.5	0	0	0	0	0	111.4	V411 D412 A417 L418 C419	V411-A415 HydrophobicContact CG1-CB 3.98Å; D412-A415 PolarHBondContact O-N 3.15Å; D412-A415 WeakPolarHBondContact OD1-CB 3.18Å; D412-A415 PolarHBondContact OD1-N 2.93Å; A415-A417 VanDerWaalsContact C-N 3.26Å; A415-A417 PolarHBondContact O-N 2.77Å; A415-L418 PolarHBondContact O-N 3.26Å; A415-C419 PolarHBondContact O-N 3.33Å; A415-C419 VanDerWaalsContact O-N 3.13Å; A415-C419 PolarHBondContact O-SG 3.48Å; A415-C419 VanDerWaalsContact O-SG 3.35Å
416	L	81.6	Confident	82.9	Confident	2 Å²	2	82.3 Å²	82.3	1%	0.01	40%	0.4	C	S	.	.	H	α-helix	trans	-64.1	-30.9	178.6	-165.8	61.7	0	0	0	112.7	L390 F406 V411 D412 L418 C419 L424 I437 F441	L390-L416 HydrophobicContact CD1-CD2 3.54Å; F406-L416 HydrophobicContact CD1-CD1 3.89Å; F406-L416 HydrophobicContact CE1-CD1 3.33Å; F406-L416 HydrophobicContact CZ-CD1 3.79Å; F406-L416 HydrophobicContact CZ-CD2 4.5Å; V411-L416 HydrophobicContact CG1-CB 3.92Å; V411-L416 HydrophobicContact CG1-CD1 4.05Å; D412-L416 WeakPolarHBondContact O-CB 3.28Å; D412-L416 PolarHBondContact O-N 3.04Å; L416-L418 PolarHBondContact O-N 3.06Å; L416-C419 HydrophobicContact CD1-CB 4.5Å; L416-C419 PolarHBondContact O-N 3.32Å; L416-L424 HydrophobicContact CD1-CD2 3.8Å; L416-I437 HydrophobicContact CD1-CG2 3.93Å; L416-I437 HydrophobicContact CD2-CG2 3.94Å; L416-I437 HydrophobicContact CG-CG2 3.89Å; L416-F441 HydrophobicContact CB-CE2 4.43Å; L416-F441 HydrophobicContact CB-CZ 4.49Å; L416-F441 HydrophobicContact CD2-CD2 4.33Å; L416-F441 HydrophobicContact CD2-CE2 3.49Å; L416-F441 VanDerWaalsContact CD2-CE2 3.49Å; L416-F441 HydrophobicContact CD2-CZ 3.92Å; L416-F441 HydrophobicContact CG-CD2 4.27Å; L416-F441 HydrophobicContact CG-CE2 3.86Å; L416-F441 HydrophobicContact CG-CZ 4.36Å
417	A	79.6	Confident	82.8	Confident	28 Å²	28	84.3 Å²	84.3	23%	0.231	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-11.6	174.9	0	0	0	0	0	113.7	K413 E414 A415 F441 K445	K413-A417 PolarHBondContact O-N 2.93Å; E414-A417 PolarHBondContact O-N 2.89Å; A415-A417 VanDerWaalsContact C-N 3.26Å; A415-A417 PolarHBondContact O-N 2.77Å; A417-F441 HydrophobicContact CB-CB 4.26Å; A417-F441 HydrophobicContact CB-CD1 3.78Å; A417-F441 HydrophobicContact CB-CG 4.25Å; A417-K445 PolarHBondContact O-NZ 3.4Å
418	L	79	Confident	82.8	Confident	125 Å²	125	81 Å²	81	65%	0.654	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-13.7	176.1	-63.5	170.9	0	0	0	112.8	E414 A415 L416	E414-L418 PolarHBondContact O-N 2.82Å; A415-L418 PolarHBondContact O-N 3.26Å; L416-L418 PolarHBondContact O-N 3.06Å
419	C	81.9	Confident	83	Confident	20 Å²	20	73.1 Å²	73.1	14%	0.135	38%	0.375	C	S	.	.			trans	-61.2	137	178.2	-71.4	0	0	0	0	112.1	A415 L416 D423 L424 L438	A415-C419 PolarHBondContact O-N 3.33Å; A415-C419 VanDerWaalsContact O-N 3.13Å; A415-C419 PolarHBondContact O-SG 3.48Å; A415-C419 VanDerWaalsContact O-SG 3.35Å; L416-C419 HydrophobicContact CD1-CB 4.5Å; L416-C419 PolarHBondContact O-N 3.32Å; C419-D423 HydrophobicContact CB-CB 4.42Å; C419-L424 HydrophobicContact CB-CD2 4.03Å; C419-L424 HydrophobicContact CB-CG 4.15Å; C419-L438 WeakPolarHBondContact O-CD2 3.3Å
420	T	84.8	Confident	83	Confident	73 Å²	73	71.3 Å²	71.3	45%	0.448	37%	0.373	S	S	.	.			trans	-91.5	167.7	170.8	69.9	0	0	0	0	111.2	R422 D423 L424	T420-R422 PolarHBondContact O-N 3.41Å; T420-D423 WeakPolarHBondContact CB-OD2 3.29Å; T420-D423 PolarHBondContact N-OD2 3.32Å; T420-D423 PolarHBondContact O-N 3.17Å; T420-D423 VanDerWaalsContact O-N 3.16Å; T420-D423 PolarHBondContact OG1-N 2.61Å; T420-D423 PolarHBondContact OG1-OD2 3.23Å; T420-L424 PolarHBondContact O-N 3.27Å
421	D	84.8	Confident	82.4	Confident	45 Å²	45	67.5 Å²	67.5	24%	0.241	36%	0.361	C	S	.	.	H	α-helix	trans	-55.9	-32.4	175.2	-166.6	93	0	0	0	112.5	Q425 R434 K435 L438	D421-Q425 PolarHBondContact O-N 2.95Å; D421-R434 VanDerWaalsContact CG-NH1 3.32Å; D421-R434 PolarHBondContact O-NH1 3.26Å; D421-R434 IonicContact OD1-NH1 3.41Å; D421-R434 IonicContact OD2-CZ 3.75Å; D421-R434 IonicContact OD2-NH1 2.8Å; D421-R434 PolarHBondContact OD2-NH1 3.02Å; D421-K435 IonicContact OD1-NZ 3.97Å; D421-K435 PolarHBondContact OD1-NZ 3.21Å; D421-K435 IonicContact OD2-NZ 3.65Å; D421-L438 HydrophobicContact CB-CD1 3.68Å
422	R	83.6	Confident	82.3	Confident	176 Å²	176	68.8 Å²	68.8	66%	0.664	38%	0.377	S	S	*	.	H	α-helix	trans	-71	-44	177.4	-172.8	178	-65.2	164.3	1.1	111.8	T420 L424 Q425 E426	T420-R422 PolarHBondContact O-N 3.41Å; R422-L424 VanDerWaalsContact C-N 3.34Å; R422-L424 PolarHBondContact O-N 3.02Å; R422-Q425 WeakPolarHBondContact O-CA 3.46Å; R422-Q425 WeakPolarHBondContact O-CB 3.13Å; R422-Q425 PolarHBondContact O-N 3.08Å; R422-E426 PolarHBondContact O-N 3.06Å
423	D	87	Confident	82.6	Confident	58 Å²	58	65.6 Å²	65.6	31%	0.31	36%	0.362	S	S	.	.	H	α-helix	trans	-62.7	-43.4	-178.5	-51.7	-40.2	0	0	0	110.9	C419 T420 Q425 E426 M427	C419-D423 HydrophobicContact CB-CB 4.42Å; T420-D423 WeakPolarHBondContact CB-OD2 3.29Å; T420-D423 PolarHBondContact N-OD2 3.32Å; T420-D423 PolarHBondContact O-N 3.17Å; T420-D423 VanDerWaalsContact O-N 3.16Å; T420-D423 PolarHBondContact OG1-N 2.61Å; T420-D423 PolarHBondContact OG1-OD2 3.23Å; D423-Q425 PolarHBondContact O-N 2.86Å; D423-E426 PolarHBondContact O-N 2.94Å; D423-M427 WeakPolarHBondContact O-CG 3.1Å; D423-M427 PolarHBondContact O-N 2.79Å; D423-M427 VanDerWaalsContact O-N 3.12Å
424	L	87.6	Confident	83	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-66.6	-27.4	175.1	-59.9	176.1	0	0	0	112.4	F406 L416 C419 T420 R422 M427 I429 R434 I437 L438	F406-L424 HydrophobicContact CE1-CD2 3.74Å; F406-L424 HydrophobicContact CZ-CD2 4.04Å; L416-L424 HydrophobicContact CD1-CD2 3.8Å; C419-L424 HydrophobicContact CB-CD2 4.03Å; C419-L424 HydrophobicContact CB-CG 4.15Å; T420-L424 PolarHBondContact O-N 3.27Å; R422-L424 VanDerWaalsContact C-N 3.34Å; R422-L424 PolarHBondContact O-N 3.02Å; L424-M427 HydrophobicContact CD2-SD 4.26Å; L424-I429 HydrophobicContact CB-CD1 4.45Å; L424-I429 HydrophobicContact CD2-CD1 4.15Å; L424-I429 VanDerWaalsContact O-CB 3.29Å; L424-I429 WeakPolarHBondContact O-CB 3.27Å; L424-I429 PolarHBondContact O-N 2.98Å; L424-I429 VanDerWaalsContact O-N 3.13Å; L424-R434 VanDerWaalsContact C-CD 3.43Å; L424-R434 HydrophobicContact CB-CB 4.38Å; L424-R434 HydrophobicContact CB-CG 3.64Å; L424-R434 HydrophobicContact CD1-CB 4.29Å; L424-R434 HydrophobicContact CD1-CG 4.33Å; L424-I437 HydrophobicContact CD1-CB 4.3Å; L424-I437 HydrophobicContact CD1-CG2 4.13Å; L424-L438 HydrophobicContact CD1-CD1 4.44Å; L424-L438 HydrophobicContact CD1-CD2 4.05Å; L424-L438 HydrophobicContact CD1-CG 3.88Å
425	Q	84.1	Confident	83.3	Confident	111 Å²	111	61.8 Å²	61.8	52%	0.519	34%	0.342	S	S	.	.	H	α-helix	trans	-70	-41.4	175.9	-163.1	174	-6.3	0	0	111.3	D421 R422 D423 M427 G428	D421-Q425 PolarHBondContact O-N 2.95Å; R422-Q425 WeakPolarHBondContact O-CA 3.46Å; R422-Q425 WeakPolarHBondContact O-CB 3.13Å; R422-Q425 PolarHBondContact O-N 3.08Å; D423-Q425 PolarHBondContact O-N 2.86Å; Q425-M427 VanDerWaalsContact C-N 3.27Å; Q425-M427 PolarHBondContact O-N 3.1Å; Q425-G428 PolarHBondContact O-N 3.23Å
426	E	88.2	Confident	83.5	Confident	153 Å²	153	64.7 Å²	64.7	72%	0.715	35%	0.348	S	S	*	.	H	α-helix	trans	-67.3	-30.1	177.5	-70.4	179.3	-170.7	0	0	111.6	R422 D423 G428	R422-E426 PolarHBondContact O-N 3.06Å; D423-E426 PolarHBondContact O-N 2.94Å; E426-G428 PolarHBondContact O-N 3.45Å
427	M	85.9	Confident	83.7	Confident	42 Å²	42	64.6 Å²	64.6	21%	0.207	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	0.8	169.3	-64.1	172.8	-170.8	0	0	113.8	I405 F406 E409 V411 D423 L424 Q425 I429	I405-M427 HydrophobicContact CG2-CB 4.13Å; I405-M427 WeakPolarHBondContact CG2-O 3.49Å; F406-M427 HydrophobicContact CD1-SD 4.28Å; F406-M427 HydrophobicContact CE1-SD 4.05Å; E409-M427 HydrophobicContact CG-CG 4.42Å; V411-M427 HydrophobicContact CG2-CE 3.7Å; V411-M427 HydrophobicContact CG2-SD 4.28Å; D423-M427 WeakPolarHBondContact O-CG 3.1Å; D423-M427 PolarHBondContact O-N 2.79Å; D423-M427 VanDerWaalsContact O-N 3.12Å; L424-M427 HydrophobicContact CD2-SD 4.26Å; Q425-M427 VanDerWaalsContact C-N 3.27Å; Q425-M427 PolarHBondContact O-N 3.1Å; M427-I429 HydrophobicContact CB-CD1 4.41Å; M427-I429 HydrophobicContact CB-CG1 4.28Å
428	G	81.4	Confident	83.8	Confident	57 Å²	57	65.3 Å²	65.3	59%	0.588	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	15.4	176.3	0	0	0	0	0	114.7	Q425 E426	Q425-G428 PolarHBondContact O-N 3.23Å; E426-G428 PolarHBondContact O-N 3.45Å
429	I	88.1	Confident	83.8	Confident	4 Å²	4	63 Å²	63	2%	0.021	34%	0.335	C	S	.	.			trans	-83	128.5	-176.5	-54.6	-179.7	0	0	0	110.3	F402 F406 L424 M427 P433 R434	F402-I429 HydrophobicContact CD1-CG1 4.27Å; F402-I429 HydrophobicContact CD1-CG2 4.2Å; F402-I429 HydrophobicContact CE1-CG2 4.27Å; F406-I429 HydrophobicContact CE1-CD1 3.67Å; F406-I429 HydrophobicContact CE2-CD1 3.9Å; F406-I429 HydrophobicContact CZ-CD1 3.17Å; L424-I429 HydrophobicContact CB-CD1 4.45Å; L424-I429 HydrophobicContact CD2-CD1 4.15Å; L424-I429 VanDerWaalsContact O-CB 3.29Å; L424-I429 WeakPolarHBondContact O-CB 3.27Å; L424-I429 PolarHBondContact O-N 2.98Å; L424-I429 VanDerWaalsContact O-N 3.13Å; M427-I429 HydrophobicContact CB-CD1 4.41Å; M427-I429 HydrophobicContact CB-CG1 4.28Å; I429-P433 HydrophobicContact CG2-CB 3.62Å; I429-R434 HydrophobicContact CB-CG 3.71Å; I429-R434 HydrophobicContact CG2-CG 3.59Å; I429-R434 WeakPolarHBondContact O-CD 3.35Å; I429-R434 WeakPolarHBondContact O-CG 3.46Å; I429-R434 PolarHBondContact O-NE 3.16Å
430	P	84.1	Confident	83.7	Confident	71 Å²	71	64.7 Å²	64.7	46%	0.461	34%	0.339	S	S	.	.			trans	-63.7	156.5	178.4	-20.9	32.1	0	0	0	113.1	F402 G432 P433 R434	F402-P430 HydrophobicContact CE1-CG 4.45Å; F402-P430 HydrophobicContact CZ-CG 4.42Å; P430-G432 VanDerWaalsContact C-N 3.28Å; P430-G432 PolarHBondContact O-N 3.45Å; P430-G432 VanDerWaalsContact O-N 3.13Å; P430-P433 VanDerWaalsContact O-CD 3.29Å; P430-P433 WeakPolarHBondContact O-CD 3.46Å; P430-R434 WeakPolarHBondContact O-CG 3.43Å; P430-R434 PolarHBondContact O-N 3.16Å; P430-R434 VanDerWaalsContact O-N 3.14Å
431	L	71.6	Confident	83.2	Confident	109 Å²	109	61.8 Å²	61.8	57%	0.571	32%	0.32	S	S	*	.	H	α-helix	trans	-55.4	-36.8	-172.4	-169.4	121.7	0	0	0	114	K435	L431-K435 WeakPolarHBondContact O-CG 3.39Å; L431-K435 PolarHBondContact O-N 3.15Å; L431-K435 VanDerWaalsContact O-N 3.13Å
432	G	79.7	Confident	82.4	Confident	42 Å²	42	62.7 Å²	62.7	43%	0.433	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-61.1	178.7	0	0	0	0	0	113.5	P430 R434 K435 K436	P430-G432 VanDerWaalsContact C-N 3.28Å; P430-G432 PolarHBondContact O-N 3.45Å; P430-G432 VanDerWaalsContact O-N 3.13Å; G432-R434 VanDerWaalsContact C-N 3.3Å; G432-R434 PolarHBondContact O-N 3.42Å; G432-K435 PolarHBondContact O-N 2.86Å; G432-K436 PolarHBondContact O-N 2.74Å
433	P	86.8	Confident	81.5	Confident	22 Å²	22	58.3 Å²	58.3	14%	0.143	32%	0.323	C	S	.	.	H	α-helix	trans	-53	-41.5	172.9	-31	36.7	0	0	0	114	L399 F402 I429 P430 K435 K436 I437	L399-P433 HydrophobicContact CD1-CB 4.11Å; L399-P433 HydrophobicContact CD2-CB 3.66Å; L399-P433 HydrophobicContact CD2-CG 3.84Å; F402-P433 HydrophobicContact CD2-CB 4.21Å; F402-P433 HydrophobicContact CD2-CG 4.45Å; F402-P433 HydrophobicContact CE2-CB 3.72Å; F402-P433 HydrophobicContact CE2-CG 3.5Å; F402-P433 HydrophobicContact CZ-CB 4.09Å; F402-P433 HydrophobicContact CZ-CG 3.65Å; I429-P433 HydrophobicContact CG2-CB 3.62Å; P430-P433 VanDerWaalsContact O-CD 3.29Å; P430-P433 WeakPolarHBondContact O-CD 3.46Å; P433-K435 PolarHBondContact O-N 2.89Å; P433-K436 WeakPolarHBondContact O-CB 3.49Å; P433-K436 PolarHBondContact O-N 2.77Å; P433-K436 VanDerWaalsContact O-N 3.15Å; P433-I437 WeakPolarHBondContact O-CG1 3.38Å; P433-I437 PolarHBondContact O-N 2.8Å
434	R	88.1	Confident	80.3	Confident	12 Å²	12	60 Å²	60	5%	0.045	33%	0.325	C	S	.	.	H	α-helix	trans	-56.9	-47.7	177	-69.1	-166.8	-73.2	132.4	0.8	112.7	D421 L424 I429 P430 G432 K436 I437 L438	D421-R434 VanDerWaalsContact CG-NH1 3.32Å; D421-R434 PolarHBondContact O-NH1 3.26Å; D421-R434 IonicContact OD1-NH1 3.41Å; D421-R434 IonicContact OD2-CZ 3.75Å; D421-R434 IonicContact OD2-NH1 2.8Å; D421-R434 PolarHBondContact OD2-NH1 3.02Å; L424-R434 VanDerWaalsContact C-CD 3.43Å; L424-R434 HydrophobicContact CB-CB 4.38Å; L424-R434 HydrophobicContact CB-CG 3.64Å; L424-R434 HydrophobicContact CD1-CB 4.29Å; L424-R434 HydrophobicContact CD1-CG 4.33Å; I429-R434 HydrophobicContact CB-CG 3.71Å; I429-R434 HydrophobicContact CG2-CG 3.59Å; I429-R434 WeakPolarHBondContact O-CD 3.35Å; I429-R434 WeakPolarHBondContact O-CG 3.46Å; I429-R434 PolarHBondContact O-NE 3.16Å; P430-R434 WeakPolarHBondContact O-CG 3.43Å; P430-R434 PolarHBondContact O-N 3.16Å; P430-R434 VanDerWaalsContact O-N 3.14Å; G432-R434 VanDerWaalsContact C-N 3.3Å; G432-R434 PolarHBondContact O-N 3.42Å; R434-K436 VanDerWaalsContact C-N 3.32Å; R434-K436 PolarHBondContact O-N 2.95Å; R434-I437 PolarHBondContact O-N 3.01Å; R434-L438 WeakPolarHBondContact O-CG 3.41Å; R434-L438 PolarHBondContact O-N 3.2Å
435	K	82.6	Confident	78.7	Confident	110 Å²	110	65.3 Å²	65.3	48%	0.478	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-35.2	178	-68.1	-58.5	-175.9	-153.1	0	112.6	D421 L431 G432 P433 N439	D421-K435 IonicContact OD1-NZ 3.97Å; D421-K435 PolarHBondContact OD1-NZ 3.21Å; D421-K435 IonicContact OD2-NZ 3.65Å; L431-K435 WeakPolarHBondContact O-CG 3.39Å; L431-K435 PolarHBondContact O-N 3.15Å; L431-K435 VanDerWaalsContact O-N 3.13Å; G432-K435 PolarHBondContact O-N 2.86Å; P433-K435 PolarHBondContact O-N 2.89Å; K435-N439 VanDerWaalsContact O-CB 3.25Å; K435-N439 WeakPolarHBondContact O-CB 3.16Å; K435-N439 PolarHBondContact O-N 2.99Å; K435-N439 VanDerWaalsContact O-N 3.11Å
436	K	84.1	Confident	77.1	Confident	98 Å²	98	66.5 Å²	66.5	43%	0.426	36%	0.358	S	S	.	.	H	α-helix	trans	-64.6	-46.3	175.8	-73.1	-177.6	175.4	-174.4	0	111.8	L399 G432 P433 R434 Y440	L399-K436 HydrophobicContact CD1-CB 4Å; L399-K436 HydrophobicContact CD1-CD 4.3Å; L399-K436 HydrophobicContact CD2-CD 4.39Å; L399-K436 HydrophobicContact CG-CD 4.5Å; G432-K436 PolarHBondContact O-N 2.74Å; P433-K436 WeakPolarHBondContact O-CB 3.49Å; P433-K436 PolarHBondContact O-N 2.77Å; P433-K436 VanDerWaalsContact O-N 3.15Å; R434-K436 VanDerWaalsContact C-N 3.32Å; R434-K436 PolarHBondContact O-N 2.95Å; K436-Y440 WeakPolarHBondContact O-CB 3.47Å; K436-Y440 PolarHBondContact O-N 2.82Å
437	I	83.8	Confident	75	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-51.2	-179.7	-65.9	173.1	0	0	0	110.7	L394 L397 L399 F406 L416 L424 P433 R434 N439 Y440 F441	L394-I437 HydrophobicContact CD2-CD1 4.1Å; L394-I437 HydrophobicContact CD2-CG1 4.29Å; L397-I437 HydrophobicContact CD1-CG1 4.44Å; L399-I437 HydrophobicContact CD1-CD1 4.01Å; L399-I437 HydrophobicContact CD1-CG1 3.62Å; F406-I437 HydrophobicContact CE2-CD1 3.88Å; F406-I437 HydrophobicContact CZ-CD1 3.61Å; L416-I437 HydrophobicContact CD1-CG2 3.93Å; L416-I437 HydrophobicContact CD2-CG2 3.94Å; L416-I437 HydrophobicContact CG-CG2 3.89Å; L424-I437 HydrophobicContact CD1-CB 4.3Å; L424-I437 HydrophobicContact CD1-CG2 4.13Å; P433-I437 WeakPolarHBondContact O-CG1 3.38Å; P433-I437 PolarHBondContact O-N 2.8Å; R434-I437 PolarHBondContact O-N 3.01Å; I437-N439 VanDerWaalsContact C-N 3.31Å; I437-N439 PolarHBondContact O-N 3.46Å; I437-Y440 PolarHBondContact O-N 3.36Å; I437-F441 HydrophobicContact CG2-CD2 4.04Å; I437-F441 HydrophobicContact CG2-CE2 4.22Å; I437-F441 WeakPolarHBondContact O-CD2 3.34Å; I437-F441 PolarHBondContact O-N 3.39Å; I437-F441 VanDerWaalsContact O-N 3.15Å
438	L	82.4	Confident	73	Confident	43 Å²	43	65.6 Å²	65.6	23%	0.225	37%	0.374	C	S	.	.	H	α-helix	trans	-60.3	-40.4	-179.9	-69.7	170.6	0	0	0	112.6	C419 D421 L424 R434 S442	C419-L438 WeakPolarHBondContact O-CD2 3.3Å; D421-L438 HydrophobicContact CB-CD1 3.68Å; L424-L438 HydrophobicContact CD1-CD1 4.44Å; L424-L438 HydrophobicContact CD1-CD2 4.05Å; L424-L438 HydrophobicContact CD1-CG 3.88Å; R434-L438 WeakPolarHBondContact O-CG 3.41Å; R434-L438 PolarHBondContact O-N 3.2Å; L438-S442 WeakPolarHBondContact O-CB 3.37Å; L438-S442 PolarHBondContact O-N 2.77Å
439	N	79.1	Confident	70.8	Confident	75 Å²	75	66.4 Å²	66.4	40%	0.401	38%	0.382	S	S	.	.	H	α-helix	trans	-65.7	-45	177.7	-169	59.5	0	0	0	111.1	K435 I437 F441 S442 T443	K435-N439 VanDerWaalsContact O-CB 3.25Å; K435-N439 WeakPolarHBondContact O-CB 3.16Å; K435-N439 PolarHBondContact O-N 2.99Å; K435-N439 VanDerWaalsContact O-N 3.11Å; I437-N439 VanDerWaalsContact C-N 3.31Å; I437-N439 PolarHBondContact O-N 3.46Å; N439-F441 PolarHBondContact O-N 2.9Å; N439-S442 PolarHBondContact O-N 2.91Å; N439-T443 WeakPolarHBondContact O-CB 3.28Å; N439-T443 PolarHBondContact O-N 3.15Å; N439-T443 PolarHBondContact O-OG1 3.48Å
440	Y	80.6	Confident	68.1	Low	56 Å²	56	73.8 Å²	73.8	22%	0.22	42%	0.42	C	S	.	.	H	α-helix	trans	-57.6	-46.6	-180	-179.2	-99	0	0	0	112.8	D393 L397 K436 I437 R444	D393-Y440 HydrophobicContact CB-CE1 3.92Å; D393-Y440 VanDerWaalsContact CG-OH 3.26Å; D393-Y440 PolarHBondContact OD1-OH 2.73Å; L397-Y440 HydrophobicContact CD1-CD1 4.19Å; L397-Y440 HydrophobicContact CD1-CD2 4.36Å; L397-Y440 HydrophobicContact CD1-CG 3.87Å; L397-Y440 HydrophobicContact CD2-CD2 3.86Å; L397-Y440 HydrophobicContact CD2-CG 4.1Å; L397-Y440 HydrophobicContact CG-CD2 4.33Å; L397-Y440 HydrophobicContact CG-CG 4.34Å; K436-Y440 WeakPolarHBondContact O-CB 3.47Å; K436-Y440 PolarHBondContact O-N 2.82Å; I437-Y440 PolarHBondContact O-N 3.36Å; Y440-R444 PolarHBondContact O-N 2.76Å; Y440-R444 PolarHBondContact OH-NH1 3.32Å
441	F	74	Confident	65.6	Low	13 Å²	13	77.7 Å²	77.7	6%	0.057	44%	0.437	C	S	.	.	H	α-helix	trans	-79.5	-29.7	-179.5	-74	-80	0	0	0	113.7	K413 L416 A417 I437 N439 R444 K445	K413-F441 HydrophobicContact CG-CE1 3.94Å; K413-F441 HydrophobicContact CG-CZ 4.38Å; L416-F441 HydrophobicContact CB-CE2 4.43Å; L416-F441 HydrophobicContact CB-CZ 4.49Å; L416-F441 HydrophobicContact CD2-CD2 4.33Å; L416-F441 HydrophobicContact CD2-CE2 3.49Å; L416-F441 VanDerWaalsContact CD2-CE2 3.49Å; L416-F441 HydrophobicContact CD2-CZ 3.92Å; L416-F441 HydrophobicContact CG-CD2 4.27Å; L416-F441 HydrophobicContact CG-CE2 3.86Å; L416-F441 HydrophobicContact CG-CZ 4.36Å; A417-F441 HydrophobicContact CB-CB 4.26Å; A417-F441 HydrophobicContact CB-CD1 3.78Å; A417-F441 HydrophobicContact CB-CG 4.25Å; I437-F441 HydrophobicContact CG2-CD2 4.04Å; I437-F441 HydrophobicContact CG2-CE2 4.22Å; I437-F441 WeakPolarHBondContact O-CD2 3.34Å; I437-F441 PolarHBondContact O-N 3.39Å; I437-F441 VanDerWaalsContact O-N 3.15Å; N439-F441 PolarHBondContact O-N 2.9Å; F441-R444 PolarHBondContact O-N 3.43Å; F441-K445 PolarHBondContact O-N 2.76Å
442	S	68	Low	63.4	Low	63 Å²	63	83.8 Å²	83.8	44%	0.441	45%	0.453	S	S	.	.	H	α-helix	trans	-65.3	-43.7	172.7	-175.1	0	0	0	0	111.8	L438 N439 R444 K445 N446	L438-S442 WeakPolarHBondContact O-CB 3.37Å; L438-S442 PolarHBondContact O-N 2.77Å; N439-S442 PolarHBondContact O-N 2.91Å; S442-R444 VanDerWaalsContact C-N 3.27Å; S442-R444 PolarHBondContact O-N 3.09Å; S442-K445 PolarHBondContact O-N 3.3Å; S442-N446 PolarHBondContact O-N 2.96Å
443	T	63.8	Low	61	Low	85 Å²	85	87.1 Å²	87.1	52%	0.521	47%	0.467	S	S	.	.	H	α-helix	trans	-62.3	-35.5	175.4	-53	0	0	0	0	111.8	N439 N446 A447	N439-T443 WeakPolarHBondContact O-CB 3.28Å; N439-T443 PolarHBondContact O-N 3.15Å; N439-T443 PolarHBondContact O-OG1 3.48Å; T443-N446 PolarHBondContact O-N 3.4Å; T443-A447 PolarHBondContact O-N 3.06Å
444	R	62.6	Low	58.1	Low	93 Å²	93	92.2 Å²	92.2	35%	0.351	50%	0.498	S	S	.	.	H	α-helix	trans	-72.9	-38.3	177.7	-160.7	173.3	-172.2	153.7	4.3	112.9	D393 Y440 F441 S442 N446 A447 T448	D393-R444 IonicContact OD2-NH1 3.36Å; D393-R444 PolarHBondContact OD2-NH1 3.14Å; Y440-R444 PolarHBondContact O-N 2.76Å; Y440-R444 PolarHBondContact OH-NH1 3.32Å; F441-R444 PolarHBondContact O-N 3.43Å; S442-R444 VanDerWaalsContact C-N 3.27Å; S442-R444 PolarHBondContact O-N 3.09Å; R444-N446 VanDerWaalsContact C-N 3.25Å; R444-N446 PolarHBondContact O-N 2.97Å; R444-A447 PolarHBondContact O-N 3.38Å; R444-A447 VanDerWaalsContact O-N 3.12Å; R444-T448 PolarHBondContact O-N 3.42Å; R444-T448 PolarHBondContact O-OG1 2.86Å
445	K	54.8	Low	55.1	Low	111 Å²	111	99.8 Å²	99.8	48%	0.483	54%	0.538	S	S	.	.	H	α-helix	trans	-58.7	-36.4	172.8	-105.8	175.2	174.5	166.1	0	112.4	A417 F441 S442 A447	A417-K445 PolarHBondContact O-NZ 3.4Å; F441-K445 PolarHBondContact O-N 2.76Å; S442-K445 PolarHBondContact O-N 3.3Å; K445-A447 VanDerWaalsContact C-N 3.34Å
446	N	49	Very low	52.4	Low	136 Å²	136	102.6 Å²	102.6	73%	0.727	55%	0.553	S	S	*	*	H	α-helix	trans	-76.7	-19.4	178.1	-65.9	-15.2	0	0	0	113.5	S442 T443 R444	S442-N446 PolarHBondContact O-N 2.96Å; T443-N446 PolarHBondContact O-N 3.4Å; R444-N446 VanDerWaalsContact C-N 3.25Å; R444-N446 PolarHBondContact O-N 2.97Å
447	A	44.8	Very low	49.8	Very low	82 Å²	82	103.8 Å²	103.8	68%	0.678	57%	0.57	S	S	*	*	H	α-helix	trans	-87	-22.4	178.3	0	0	0	0	0	113.7	T443 R444 K445	T443-A447 PolarHBondContact O-N 3.06Å; R444-A447 PolarHBondContact O-N 3.38Å; R444-A447 VanDerWaalsContact O-N 3.12Å; K445-A447 VanDerWaalsContact C-N 3.34Å
448	T	42.8	Very low	46.9	Very low	94 Å²	94	107.8 Å²	107.8	58%	0.577	60%	0.603	S	S	*	*	S	Bend	trans	-118.1	84.7	176.3	48.6	0	0	0	0	110.5	R444 I450	R444-T448 PolarHBondContact O-N 3.42Å; R444-T448 PolarHBondContact O-OG1 2.86Å; T448-I450 PolarHBondContact O-N 2.7Å
449	G	36.1	Very low	44.2	Very low	74 Å²	74	111.6 Å²	111.6	76%	0.763	63%	0.634	S	S	*	*			trans	-67.9	111.4	174.4	0	0	0	0	0	112
450	I	31	Very low	41.5	Very low	159 Å²	159	111.7 Å²	111.7	82%	0.815	65%	0.653	S	S	*	*			trans	-99.1	112.5	169.7	-64.8	176.5	0	0	0	108.8	T448	T448-I450 PolarHBondContact O-N 2.7Å
451	N	31.7	Very low	38.8	Very low	153 Å²	153	113.5 Å²	113.5	82%	0.818	68%	0.679	S	S	*	*			trans	-67.1	136.9	165	-78.1	-51.1	0	0	0	111.1
452	R	26	Very low	36.4	Very low	238 Å²	238	119.8 Å²	119.8	90%	0.898	71%	0.713	S	S	*	*			trans	-169.9	163.8	141.8	-116.1	-167.2	178.3	-163.7	0.4	113.4
453	P	29	Very low	34.6	Very low	112 Å²	112	123.6 Å²	123.6	73%	0.727	73%	0.727	S	S	*	*				-113.7	169.3	-113.4	34.5	-16.4	0	0	0	114.7
454	T	26.7	Very low	32.8	Very low	129 Å²	129	125.3 Å²	125.3	79%	0.791	74%	0.74	S	S	*	*			trans	-44.6	139	177.1	-27.9	0	0	0	0	116
455	L	24.4	Very low	31	Very low	171 Å²	171	130.3 Å²	130.3	90%	0.895	76%	0.764	S	S	*	*			trans	-149.7	120.2	149.2	-103.8	144.1	0	0	0	109.1
456	Q	24.8	Very low	29.5	Very low	169 Å²	169	134 Å²	134	79%	0.79	78%	0.783	S	S	*	*			trans	-73.1	158.1	166	-62.8	-174.3	-12.1	0	0	109.8
457	P	30	Very low	28.3	Very low	122 Å²	122	132.7 Å²	132.7	79%	0.792	78%	0.784	S	S	*	*				-148.1	146	89.6	34.2	-14.7	0	0	0	116.9
458	A	23.4	Very low	27.4	Very low	85 Å²	85	137.8 Å²	137.8	70%	0.702	79%	0.794	S	S	*	*			trans	43.5	133.7	134.1	0	0	0	0	0	124
459	S	25.2	Very low	26.4	Very low	124 Å²	124	142.8 Å²	142.8	87%	0.867	81%	0.808	S	S	*	*			trans	95.5	119.3	140.3	-54.5	0	0	0	0	119.9
460	G	22.8	Very low	25.7	Very low	77 Å²	77	145.2 Å²	145.2	79%	0.794	81%	0.812	S	S	*	*				108.4	103.9	129	0	0	0	0	0	119
461	A	23	Very low	25.5	Very low	93 Å²	93	142.8 Å²	142.8	77%	0.769	81%	0.809	S	S	*	*			trans	59.1	123.1	136.5	0	0	0	0	0	122.5
462	N	23.8	Very low	25.2	Very low	146 Å²	146	141.5 Å²	141.5	78%	0.781	81%	0.812	S	S	*	*			trans	67.9	120.7	132.7	-73.7	-13.1	0	0	0	122.8
463	I	31	Very low	25.4	Very low	143 Å²	143	135.1 Å²	135.1	73%	0.733	80%	0.804	S	S	*	*			trans	78.4	131.9	149.4	-50.8	156.2	0	0	0	117.2
464	P	26.7	Very low	25.2	Very low	121 Å²	121	138 Å²	138	79%	0.786	81%	0.814	S	S	*	*				-140	131.1	118.9	28	-9.5	0	0	0	111.5
465	K	23.5	Very low	25.4	Very low	198 Å²	198	137.7 Å²	137.7	86%	0.861	81%	0.812	S	S	*	*				48.2	113.4	72.6	-82.9	-167.9	178	-177.1	0	115.5
466	E	24	Very low	25.5	Very low	188 Å²	188	139.4 Å²	139.4	88%	0.879	81%	0.806	S	S	*	*			trans	-52.5	141.7	168.3	-63.8	167.8	142.7	0	0	112.9
467	S	22.8	Very low	25.7	Very low	108 Å²	108	138.6 Å²	138.6	76%	0.755	81%	0.807	S	S	*	*				171.2	130.2	129.5	38	0	0	0	0	111.2
468	E	26	Very low	25.6	Very low	189 Å²	189	137 Å²	137	88%	0.883	80%	0.799	S	S	*	*			trans	34.3	114.1	143.4	-64.5	177	153	0	0	119.4
469	F	21.5	Very low	26.1	Very low	200 Å²	200	140.8 Å²	140.8	88%	0.877	81%	0.807	S	S	*	*			trans	-140.9	111.8	153.5	-144.5	-98.8	0	0	0	112.3
470	C	23.3	Very low	26.9	Very low	124 Å²	124	141.6 Å²	141.6	84%	0.838	79%	0.793	S	S	*	*			trans	-61.5	127.2	162	-71.5	0	0	0	0	109.3
471	S	25.2	Very low	27.7	Very low	109 Å²	109	141.9 Å²	141.9	76%	0.762	78%	0.776	S	S	*	*			trans	-115.4	97.7	170.9	42.9	0	0	0	0	110.3
472	S	26.7	Very low	28.2	Very low	125 Å²	125	143.9 Å²	143.9	87%	0.874	77%	0.773	S	S	*	*			trans	-73.4	114.6	159.5	50.3	0	0	0	0	108.9
473	S	29.4	Very low	29	Very low	105 Å²	105	139.2 Å²	139.2	73%	0.734	75%	0.75	S	S	*	*			trans	-130.6	118	166.1	57.8	0	0	0	0	110.5
474	N	25.7	Very low	29.2	Very low	172 Å²	172	135.9 Å²	135.9	92%	0.92	75%	0.751	S	S	*	*			trans	-77.3	126.2	171.2	-90.4	-23.5	0	0	0	109
475	T	29.6	Very low	30	Very low	123 Å²	123	134.2 Å²	134.2	76%	0.755	73%	0.734	S	S	*	*			trans	-125.1	124.4	163.8	-39.6	0	0	0	0	108
476	R	27.3	Very low	30.9	Very low	206 Å²	206	129.2 Å²	129.2	78%	0.777	74%	0.739	S	S	*	*			trans	-98.8	127.4	178.7	-91.6	-177.1	172.1	175.3	-3.3	110.8
477	N	29.4	Very low	32.2	Very low	152 Å²	152	121.4 Å²	121.4	81%	0.813	70%	0.702	S	S	*	*			trans	50.9	90.3	146.5	-71.5	20.9	0	0	0	119.7
478	S	27.9	Very low	33.6	Very low	88 Å²	88	120.8 Å²	120.8	62%	0.615	69%	0.694	S	S	*	*				-135.6	134.1	125.2	-177.4	0	0	0	0	105.6	Y480	S478-Y480 PolarHBondContact O-N 2.87Å
479	D	33	Very low	35.7	Very low	165 Å²	165	117.4 Å²	117.4	88%	0.882	69%	0.691	S	S	*	*			trans	-66.8	70.6	-172.4	-66.1	-35.2	0	0	0	112.8
480	Y	41.5	Very low	38.6	Very low	142 Å²	142	109 Å²	109	56%	0.557	66%	0.657	S	S	*	*	S	Bend	trans	-86.4	157.8	164.3	-80.4	-90.3	0	0	0	108.5	S478 D482	S478-Y480 PolarHBondContact O-N 2.87Å; Y480-D482 PolarHBondContact O-N 3.13Å
481	L	41.4	Very low	41.7	Very low	83 Å²	83	111 Å²	111	44%	0.435	65%	0.651	S	S	.	*			trans	-58.2	75.3	160.2	-78.1	152.3	0	0	0	108.8	V483 L518 Y525	L481-V483 VanDerWaalsContact C-N 3.29Å; L481-V483 PolarHBondContact O-N 3.45Å; L481-L518 HydrophobicContact CD2-CD1 3.65Å; L481-L518 HydrophobicContact CD2-CD2 4.35Å; L481-Y525 HydrophobicContact CD1-CD2 4.28Å; L481-Y525 HydrophobicContact CD1-CE1 4.47Å; L481-Y525 HydrophobicContact CD1-CE2 3.87Å
482	D	32.6	Very low	44.8	Very low	134 Å²	134	107.2 Å²	107.2	72%	0.717	62%	0.62	S	S	*	*			trans	-83.6	78.2	-178.5	-167.7	29.6	0	0	0	108.4	Y480	Y480-D482 PolarHBondContact O-N 3.13Å
483	V	39.5	Very low	47.9	Very low	49 Å²	49	102.7 Å²	102.7	30%	0.297	59%	0.587	S	S	.	*			trans	-100.3	117.2	156	-174.8	0	0	0	0	104.6	L481 I485 R516 L518	L481-V483 VanDerWaalsContact C-N 3.29Å; L481-V483 PolarHBondContact O-N 3.45Å; V483-I485 VanDerWaalsContact C-N 3.25Å; V483-I485 WeakPolarHBondContact O-CG1 3.42Å; V483-I485 PolarHBondContact O-N 3.43Å; V483-R516 WeakPolarHBondContact CG1-O 3.28Å; V483-L518 HydrophobicContact CG2-CD1 3.87Å
484	G	36.8	Very low	51	Low	73 Å²	73	102.7 Å²	102.7	75%	0.753	57%	0.571	S	S	*	*			trans	-55.2	93.1	170.7	0	0	0	0	0	109.5	G486	G484-G486 PolarHBondContact O-N 3.41Å
485	I	43.4	Very low	54.3	Low	86 Å²	86	95.2 Å²	95.2	44%	0.441	53%	0.531	S	S	.	.			trans	-70.1	130.6	-176.1	-37.3	179.6	0	0	0	105.8	V483 Q487 R516	V483-I485 VanDerWaalsContact C-N 3.25Å; V483-I485 WeakPolarHBondContact O-CG1 3.42Å; V483-I485 PolarHBondContact O-N 3.43Å; I485-Q487 HydrophobicContact CB-CB 3.92Å; I485-Q487 HydrophobicContact CG2-CB 3.31Å; I485-Q487 HydrophobicContact CG2-CG 4.48Å; I485-Q487 PolarHBondContact O-N 2.67Å; I485-R516 HydrophobicContact CG2-CG 4.4Å
486	G	42	Very low	57.4	Low	93 Å²	93	94 Å²	94	96%	0.959	52%	0.519	S	S	*	.	S	Bend	trans	-63.7	16	163	0	0	0	0	0	113.5	G484	G484-G486 PolarHBondContact O-N 3.41Å
487	Q	50.4	Low	60.6	Low	23 Å²	23	84.9 Å²	84.9	11%	0.107	49%	0.485	C	S	.	.	S	Bend	trans	-100.9	123.1	176.4	-158.7	171.1	-16.1	0	0	106.1	C316 I485 S489 V490	C316-Q487 PolarHBondContact SG-NE2 3.04Å; I485-Q487 HydrophobicContact CB-CB 3.92Å; I485-Q487 HydrophobicContact CG2-CB 3.31Å; I485-Q487 HydrophobicContact CG2-CG 4.48Å; I485-Q487 PolarHBondContact O-N 2.67Å; Q487-S489 PolarHBondContact O-N 2.99Å; Q487-V490 HydrophobicContact CG-CG2 4.29Å
488	V	54	Low	63.6	Low	96 Å²	96	82.3 Å²	82.3	58%	0.582	47%	0.466	S	S	*	.			trans	-48.7	140	171.6	177.4	0	0	0	0	108.5	P313 V490	P313-V488 HydrophobicContact CB-CB 3.67Å; P313-V488 HydrophobicContact CB-CG1 4.46Å; P313-V488 HydrophobicContact CB-CG2 3.51Å; P313-V488 HydrophobicContact CG-CB 3.83Å; P313-V488 HydrophobicContact CG-CG2 3.32Å; V488-V490 WeakPolarHBondContact O-CG2 3.43Å; V488-V490 PolarHBondContact O-N 3.29Å
489	S	69.3	Low	66.9	Low	117 Å²	117	78.1 Å²	78.1	82%	0.818	44%	0.437	S	S	*	.			trans	-45.3	99.7	-178.2	172.2	0	0	0	0	112.5	Q487	Q487-S489 PolarHBondContact O-N 2.99Å
490	V	82.8	Confident	69.8	Low	25 Å²	25	73.7 Å²	73.7	15%	0.152	41%	0.411	C	S	.	.			trans	-84.5	133.7	174.7	174.8	0	0	0	0	109.1	C316 Q487 V488 Y492	C316-V490 HydrophobicContact CB-CG2 4.23Å; Q487-V490 HydrophobicContact CG-CG2 4.29Å; V488-V490 WeakPolarHBondContact O-CG2 3.43Å; V488-V490 PolarHBondContact O-N 3.29Å; V490-Y492 HydrophobicContact CB-CE2 3.95Å; V490-Y492 HydrophobicContact CG1-CD1 4.46Å; V490-Y492 HydrophobicContact CG1-CD2 4.17Å; V490-Y492 HydrophobicContact CG1-CE1 4.04Å; V490-Y492 HydrophobicContact CG1-CE2 3.75Å
491	K	88	Confident	72.5	Confident	165 Å²	165	67.2 Å²	67.2	72%	0.717	39%	0.386	S	S	*	.			trans	-99	112	174.2	-175.8	-178.1	178.1	-175.8	0	109.3	Q317	Q317-K491 PolarHBondContact NE2-O 2.87Å
492	Y	90.4	Very high	75.2	Confident	30 Å²	30	63.3 Å²	63.3	12%	0.118	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-84.2	126.7	178.7	-65.2	-88.4	0	0	0	111.9	V320 D359 I360 N363 V490	V320-Y492 HydrophobicContact CB-CD1 4.48Å; V320-Y492 HydrophobicContact CG1-CD1 3.49Å; V320-Y492 VanDerWaalsContact CG1-CD1 3.49Å; V320-Y492 HydrophobicContact CG1-CE1 4Å; V320-Y492 HydrophobicContact CG1-CG 4.32Å; V320-Y492 HydrophobicContact CG2-CD1 4.2Å; V320-Y492 HydrophobicContact CG2-CE1 3.84Å; D359-Y492 HydrophobicContact CB-CD1 4.37Å; D359-Y492 HydrophobicContact CB-CE1 3.48Å; D359-Y492 VanDerWaalsContact CB-CE1 3.48Å; I360-Y492 HydrophobicContact CG1-CD1 4.23Å; N363-Y492 HydrophobicContact CB-CD2 3.68Å; N363-Y492 HydrophobicContact CB-CG 3.69Å; N363-Y492 WeakPolarHBondContact ND2-CD2 3.23Å; N363-Y492 WeakPolarHBondContact ND2-CE2 3.44Å; V490-Y492 HydrophobicContact CB-CE2 3.95Å; V490-Y492 HydrophobicContact CG1-CD1 4.46Å; V490-Y492 HydrophobicContact CG1-CD2 4.17Å; V490-Y492 HydrophobicContact CG1-CE1 4.04Å; V490-Y492 HydrophobicContact CG1-CE2 3.75Å
493	P	91.9	Very high	78.3	Confident	29 Å²	29	56.9 Å²	56.9	19%	0.188	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-66.8	162.9	172.8	-20.2	32.6	0	0	0	113.3	V320 D321 A324 Q364	V320-P493 VanDerWaalsContact CG1-CD 3.43Å; V320-P493 HydrophobicContact CG1-CG 4.46Å; D321-P493 WeakPolarHBondContact OD1-CG 3.42Å; A324-P493 HydrophobicContact CB-CB 3.7Å; A324-P493 HydrophobicContact CB-CG 3.88Å; Q364-P493 PolarHBondContact NE2-O 3.2Å
494	R	93.8	Very high	81.1	Confident	105 Å²	105	54.6 Å²	54.6	40%	0.396	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-91.1	137.9	177.4	-61.3	-70.7	170.4	-150.7	-14.1	110.3	N328 N363 K365	N328-R494 PolarHBondContact ND2-O 3.47Å; N363-R494 PolarHBondContact O-NH1 3.33Å; N363-R494 PolarHBondContact O-NH2 3.09Å; K365-R494 VanDerWaalsContact CE-NH2 3.31Å; K365-R494 VanDerWaalsContact CG-CZ 3.49Å; K365-R494 VanDerWaalsContact CG-NH2 3.33Å
495	L	95.3	Very high	83.8	Confident	15 Å²	15	51.2 Å²	51.2	8%	0.079	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-79.2	138.2	164.2	-60.8	179.4	0	0	0	108.9	A324 M327 N328 I360 Y497 P499	A324-L495 HydrophobicContact CB-CD2 4.45Å; M327-L495 HydrophobicContact CB-CD2 4.28Å; M327-L495 HydrophobicContact CE-CD1 4.15Å; M327-L495 HydrophobicContact CE-CD2 4.05Å; M327-L495 HydrophobicContact SD-CD2 4.41Å; N328-L495 WeakPolarHBondContact OD1-CA 3.3Å; I360-L495 HydrophobicContact CG2-CD1 4.23Å; I360-L495 HydrophobicContact CG2-CD2 4.44Å; I360-L495 HydrophobicContact CG2-CG 4.16Å; L495-Y497 HydrophobicContact CD1-CE2 4.38Å; L495-Y497 PolarHBondContact O-N 2.77Å; L495-P499 HydrophobicContact CD1-CG 3.97Å
496	I	94.6	Very high	86.1	Confident	98 Å²	98	47.1 Å²	47.1	50%	0.503	26%	0.261	S	S	.	.	S	Bend	trans	-83	9.2	179.2	65.9	-178.9	0	0	0	113.2	N328 Y331 T332	N328-I496 HydrophobicContact CB-CD1 4.03Å; N328-I496 HydrophobicContact CB-CG1 4.21Å; N328-I496 WeakPolarHBondContact OD1-CG1 3.35Å; N328-I496 PolarHBondContact OD1-N 2.82Å; Y331-I496 HydrophobicContact CD1-CD1 3.83Å; Y331-I496 HydrophobicContact CD1-CG1 3.67Å; Y331-I496 HydrophobicContact CE1-CG1 4.21Å; T332-I496 WeakPolarHBondContact OG1-CD1 3.25Å
497	Y	94.2	Very high	88.5	Confident	15 Å²	15	42.7 Å²	42.7	6%	0.059	22%	0.216	C	C	.	.	S	Bend	trans	-142.8	165.8	177.3	56.6	-90.5	0	0	0	109.5	F218 M327 Y331 V345 I347 L495 P499	F218-Y497 HydrophobicContact CD2-CE1 4.4Å; F218-Y497 AromaticContact CD2-CE2 3.96Å; F218-Y497 HydrophobicContact CD2-CE2 3.96Å; F218-Y497 AromaticContact CD2-CZ 3.57Å; F218-Y497 WeakPolarHBondContact CD2-OH 3.31Å; F218-Y497 AromaticContact CE2-CE1 3.81Å; F218-Y497 HydrophobicContact CE2-CE1 3.81Å; F218-Y497 AromaticContact CE2-CE2 3.93Å; F218-Y497 HydrophobicContact CE2-CE2 3.93Å; F218-Y497 AromaticContact CE2-CZ 3.4Å; F218-Y497 WeakPolarHBondContact CE2-OH 3.48Å; F218-Y497 HydrophobicContact CZ-CE1 4.49Å; M327-Y497 WeakPolarHBondContact CE-OH 3.38Å; Y331-Y497 AromaticContact CD1-CD1 3.53Å; Y331-Y497 HydrophobicContact CD1-CD1 3.53Å; Y331-Y497 HydrophobicContact CD1-CE1 4.3Å; Y331-Y497 HydrophobicContact CD1-CG 4.27Å; Y331-Y497 AromaticContact CD2-CD1 3.81Å; Y331-Y497 HydrophobicContact CD2-CD1 3.81Å; Y331-Y497 HydrophobicContact CD2-CE1 4.24Å; Y331-Y497 HydrophobicContact CD2-CG 4.19Å; Y331-Y497 AromaticContact CE1-CD1 3.93Å; Y331-Y497 HydrophobicContact CE1-CD1 3.93Å; Y331-Y497 HydrophobicContact CE1-CG 4.23Å; Y331-Y497 HydrophobicContact CE2-CD1 4.23Å; Y331-Y497 HydrophobicContact CE2-CG 4.2Å; Y331-Y497 AromaticContact CG-CD1 3.43Å; Y331-Y497 HydrophobicContact CG-CD1 3.43Å; Y331-Y497 VanDerWaalsContact CG-CD1 3.43Å; Y331-Y497 AromaticContact CG-CE1 3.83Å; Y331-Y497 HydrophobicContact CG-CE1 3.83Å; Y331-Y497 HydrophobicContact CG-CG 4.21Å; V345-Y497 HydrophobicContact CB-CD2 3.97Å; V345-Y497 HydrophobicContact CB-CE2 4.39Å; V345-Y497 HydrophobicContact CG1-CD2 3.57Å; V345-Y497 HydrophobicContact CG1-CE2 3.51Å; V345-Y497 HydrophobicContact CG1-CG 4.41Å; V345-Y497 HydrophobicContact CG2-CD2 4.4Å; I347-Y497 HydrophobicContact CG2-CE2 4.45Å; L495-Y497 HydrophobicContact CD1-CE2 4.38Å; L495-Y497 PolarHBondContact O-N 2.77Å; Y497-P499 HydrophobicContact CD2-CG 4.15Å; Y497-P499 HydrophobicContact CE2-CG 3.94Å; Y497-P499 WeakPolarHBondContact O-CD 3.15Å
498	K	93.7	Very high	90.4	Very high	97 Å²	97	41.7 Å²	41.7	42%	0.422	21%	0.211	S	C	.	.			trans	-108.6	107.6	179.2	-64.6	-168.3	176.2	-159.9	0	109.8	D366 T529	D366-K498 IonicContact OD1-NZ 3.53Å; D366-K498 PolarHBondContact OD1-NZ 2.63Å; D366-K498 VanDerWaalsContact OD1-NZ 3.14Å; K498-T529 HydrophobicContact CG-CG2 4.27Å
499	P	95.8	Very high	92.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	18%	0.183	C	C	.	.			trans	-61	135.9	175.3	-25.3	36.4	0	0	0	111.6	V345 I347 L361 L495 Y497 C530	V345-P499 CarbonylContact O-C 3.6Å; V345-P499 WeakPolarHBondContact O-CA 3.2Å; I347-P499 HydrophobicContact CD1-CB 4.45Å; I347-P499 HydrophobicContact CD1-CG 4.36Å; I347-P499 HydrophobicContact CG1-CB 4.3Å; I347-P499 HydrophobicContact CG2-CB 4.1Å; I347-P499 HydrophobicContact CG2-CG 3.95Å; L361-P499 HydrophobicContact CD2-CG 4.07Å; L495-P499 HydrophobicContact CD1-CG 3.97Å; Y497-P499 HydrophobicContact CD2-CG 4.15Å; Y497-P499 HydrophobicContact CE2-CG 3.94Å; Y497-P499 WeakPolarHBondContact O-CD 3.15Å; P499-C530 VanDerWaalsContact O-CA 3.24Å; P499-C530 WeakPolarHBondContact O-CA 3.29Å
500	E	95.3	Very high	93.3	Very high	71 Å²	71	31.7 Å²	31.7	33%	0.332	15%	0.146	S	C	.	.	S	Bend	trans	-82.6	-45.1	176.4	-64.7	-169	167.3	0	0	111.7	H215 V345 K531 G532 T701	H215-E500 IonicContact CE1-OE2 3.03Å; H215-E500 PolarHBondContact CE1-OE2 2.88Å; V345-E500 PolarHBondContact O-N 3.04Å; E500-K531 PolarHBondContact O-N 3.03Å; E500-K531 VanDerWaalsContact O-N 3.11Å; E500-G532 PolarHBondContact O-N 2.7Å; E500-T701 PolarHBondContact OE2-OG1 3.39Å
501	I	97.4	Very high	93.6	Very high	7 Å²	7	33 Å²	33	4%	0.036	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.4	-176.9	-49.4	174.4	0	0	0	110.3	S346 I347 F503 G532 F534 E697 I698 T701	S346-I501 WeakPolarHBondContact CA-O 3.31Å; S346-I501 VanDerWaalsContact CB-O 3.24Å; S346-I501 WeakPolarHBondContact CB-O 3.32Å; S346-I501 WeakPolarHBondContact OG-CB 3.13Å; S346-I501 PolarHBondContact OG-N 3.39Å; I347-I501 PolarHBondContact N-O 2.79Å; I501-F503 HydrophobicContact CB-CE2 3.86Å; I501-F503 HydrophobicContact CB-CZ 4Å; I501-F503 HydrophobicContact CD1-CE2 4.47Å; I501-F503 HydrophobicContact CD1-CZ 4Å; I501-F503 HydrophobicContact CG2-CD1 4.15Å; I501-F503 HydrophobicContact CG2-CD2 4.02Å; I501-F503 HydrophobicContact CG2-CE1 3.69Å; I501-F503 HydrophobicContact CG2-CE2 3.55Å; I501-F503 HydrophobicContact CG2-CG 4.31Å; I501-F503 HydrophobicContact CG2-CZ 3.37Å; I501-G532 WeakPolarHBondContact CA-O 3.16Å; I501-F534 HydrophobicContact CG2-CD2 3.43Å; I501-F534 VanDerWaalsContact CG2-CD2 3.43Å; I501-F534 HydrophobicContact CG2-CE2 3.48Å; I501-F534 VanDerWaalsContact CG2-CE2 3.48Å; I501-E697 HydrophobicContact CD1-CB 4.32Å; I501-I698 HydrophobicContact CD1-CG1 4.28Å; I501-T701 HydrophobicContact CD1-CG2 3.91Å; I501-T701 HydrophobicContact CG1-CG2 4.46Å
502	F	98	Very high	93.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.9	168.2	174.8	-151.2	0	0	0	110.6	I347 S354 L357 F358 L361 A504 I509 F527 C530 G532 F533 F534	I347-F502 HydrophobicContact CD1-CB 4.46Å; I347-F502 HydrophobicContact CD1-CD2 4.14Å; I347-F502 HydrophobicContact CD1-CG 4.35Å; I347-F502 HydrophobicContact CG1-CB 4.06Å; I347-F502 HydrophobicContact CG1-CD2 3.8Å; I347-F502 HydrophobicContact CG1-CG 4.18Å; I347-F502 WeakPolarHBondContact O-CA 3.45Å; S354-F502 VanDerWaalsContact O-CZ 3.3Å; S354-F502 WeakPolarHBondContact O-CZ 3.21Å; L357-F502 HydrophobicContact CB-CE2 3.9Å; L357-F502 HydrophobicContact CB-CZ 3.99Å; L357-F502 HydrophobicContact CD1-CD2 4.44Å; L357-F502 HydrophobicContact CD1-CE2 3.99Å; F358-F502 HydrophobicContact CB-CE1 4.01Å; F358-F502 HydrophobicContact CB-CZ 4.45Å; F358-F502 HydrophobicContact CD2-CE1 4.18Å; L361-F502 HydrophobicContact CD1-CB 3.79Å; L361-F502 HydrophobicContact CD1-CD1 3.7Å; L361-F502 HydrophobicContact CD1-CE1 4.5Å; L361-F502 HydrophobicContact CD1-CG 3.81Å; F502-A504 HydrophobicContact CE2-CB 4.18Å; F502-A504 HydrophobicContact CZ-CB 3.96Å; F502-I509 HydrophobicContact CE1-CD1 4.22Å; F502-I509 HydrophobicContact CZ-CD1 4.19Å; F502-F527 HydrophobicContact CD1-CE2 4.43Å; F502-F527 HydrophobicContact CD1-CZ 4.26Å; F502-C530 PolarHBondContact N-SG 3.23Å; F502-G532 PolarHBondContact N-O 2.85Å; F502-F533 HydrophobicContact CB-CD2 4.09Å; F502-F533 AromaticContact CD1-CD2 3.28Å; F502-F533 HydrophobicContact CD1-CD2 3.28Å; F502-F533 AromaticContact CD1-CE2 3.37Å; F502-F533 HydrophobicContact CD1-CE2 3.37Å; F502-F533 HydrophobicContact CD1-CG 4.39Å; F502-F533 AromaticContact CE1-CD2 3.83Å; F502-F533 HydrophobicContact CE1-CD2 3.83Å; F502-F533 AromaticContact CE1-CE2 3.36Å; F502-F533 HydrophobicContact CE1-CE2 3.36Å; F502-F533 HydrophobicContact CE1-CZ 4.27Å; F502-F533 AromaticContact CG-CD2 3.85Å; F502-F533 HydrophobicContact CG-CD2 3.85Å; F502-F533 HydrophobicContact CG-CE2 4.15Å; F502-F533 HydrophobicContact CZ-CE2 4.13Å; F502-F533 WeakPolarHBondContact O-CA 3.47Å; F502-F534 PolarHBondContact O-N 3.04Å
503	F	98.1	Very high	93.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.9	172.2	-57.3	-79.8	0	0	0	110.3	I347 A348 G349 I501 F505 F534 I536 V694 E697 I698	I347-F503 PolarHBondContact O-N 2.86Å; A348-F503 CarbonylContact C-O 3.56Å; A348-F503 VanDerWaalsContact CA-O 3.23Å; A348-F503 WeakPolarHBondContact CA-O 3.36Å; A348-F503 HydrophobicContact CB-CB 4.22Å; G349-F503 PolarHBondContact N-O 2.9Å; I501-F503 HydrophobicContact CB-CE2 3.86Å; I501-F503 HydrophobicContact CB-CZ 4Å; I501-F503 HydrophobicContact CD1-CE2 4.47Å; I501-F503 HydrophobicContact CD1-CZ 4Å; I501-F503 HydrophobicContact CG2-CD1 4.15Å; I501-F503 HydrophobicContact CG2-CD2 4.02Å; I501-F503 HydrophobicContact CG2-CE1 3.69Å; I501-F503 HydrophobicContact CG2-CE2 3.55Å; I501-F503 HydrophobicContact CG2-CG 4.31Å; I501-F503 HydrophobicContact CG2-CZ 3.37Å; F503-F505 HydrophobicContact CB-CE1 3.76Å; F503-F505 HydrophobicContact CB-CZ 3.99Å; F503-F534 HydrophobicContact CD1-CB 3.9Å; F503-F534 HydrophobicContact CD1-CD2 4.05Å; F503-F534 HydrophobicContact CD1-CG 4.17Å; F503-F534 HydrophobicContact CE1-CB 4.39Å; F503-F534 AromaticContact CE1-CD2 3.82Å; F503-F534 HydrophobicContact CE1-CD2 3.82Å; F503-F534 HydrophobicContact CE1-CE2 4.36Å; F503-F534 HydrophobicContact CE1-CG 4.15Å; F503-I536 HydrophobicContact CD1-CD1 4.21Å; F503-V694 HydrophobicContact CD1-CG2 3.92Å; F503-V694 HydrophobicContact CD2-CG1 4.32Å; F503-V694 HydrophobicContact CD2-CG2 4.48Å; F503-V694 HydrophobicContact CE1-CB 4.41Å; F503-V694 HydrophobicContact CE1-CG2 4.06Å; F503-V694 HydrophobicContact CE2-CG1 3.94Å; F503-V694 HydrophobicContact CG-CG2 4.14Å; F503-V694 HydrophobicContact CZ-CB 4.37Å; F503-V694 HydrophobicContact CZ-CG1 4.03Å; F503-V694 HydrophobicContact CZ-CG2 4.39Å; F503-E697 HydrophobicContact CE1-CB 4.24Å; F503-E697 HydrophobicContact CZ-CB 4.27Å; F503-I698 HydrophobicContact CE2-CD1 4.23Å; F503-I698 HydrophobicContact CE2-CG1 4.17Å; F503-I698 HydrophobicContact CZ-CG1 4.15Å
504	A	97.2	Very high	93.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.2	175.1	0	0	0	0	0	109.3	G349 F502 I509 F533 F534 I536	G349-A504 CarbonylContact O-C 3.55Å; G349-A504 WeakPolarHBondContact O-CA 3.37Å; F502-A504 HydrophobicContact CE2-CB 4.18Å; F502-A504 HydrophobicContact CZ-CB 3.96Å; A504-I509 HydrophobicContact CB-CD1 4.24Å; A504-F533 HydrophobicContact CB-CE2 4.01Å; A504-F534 PolarHBondContact N-O 3.41Å; A504-I536 PolarHBondContact O-N 3.34Å
505	F	94.8	Very high	92.7	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.013	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.3	-179.9	-51.8	-35.5	0	0	0	110.2	F241 A348 G349 H350 S351 F503 S507 I536 Y684 T690 V694	F241-F505 HydrophobicContact CE2-CE2 4.47Å; F241-F505 HydrophobicContact CZ-CZ 4.47Å; A348-F505 HydrophobicContact CB-CE2 3.97Å; A348-F505 HydrophobicContact CB-CZ 4.16Å; G349-F505 PolarHBondContact O-N 3.13Å; H350-F505 WeakPolarHBondContact CA-O 3.04Å; H350-F505 HydrophobicContact CB-CB 4.34Å; H350-F505 HydrophobicContact CB-CD2 4.44Å; S351-F505 PolarHBondContact N-O 2.78Å; F503-F505 HydrophobicContact CB-CE1 3.76Å; F503-F505 HydrophobicContact CB-CZ 3.99Å; F505-S507 VanDerWaalsContact C-N 3.3Å; F505-S507 PolarHBondContact O-N 3.24Å; F505-I536 WeakPolarHBondContact CA-O 3.22Å; F505-I536 HydrophobicContact CD1-CB 4.13Å; F505-I536 HydrophobicContact CD1-CD1 4.08Å; F505-I536 HydrophobicContact CE1-CD1 3.75Å; F505-Y684 HydrophobicContact CB-CD1 4.29Å; F505-Y684 HydrophobicContact CB-CD2 4.2Å; F505-Y684 HydrophobicContact CB-CG 3.98Å; F505-T690 HydrophobicContact CD1-CG2 4.24Å; F505-T690 HydrophobicContact CE1-CG2 3.88Å; F505-T690 HydrophobicContact CZ-CG2 4.27Å; F505-V694 HydrophobicContact CE1-CG2 4.17Å; F505-V694 HydrophobicContact CZ-CG2 4.02Å
506	G	90.9	Very high	92.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	54.9	46.3	176.2	0	0	0	0	0	112.7	I536 D541 H681 Y684	G506-I536 PolarHBondContact N-O 3.42Å; G506-D541 WeakPolarHBondContact CA-OD2 3.32Å; G506-H681 PolarHBondContact O-CE1 3.18Å; G506-Y684 VanDerWaalsContact CA-OH 3.31Å; G506-Y684 WeakPolarHBondContact CA-OH 3.33Å
507	S	91.8	Very high	91.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.144	C	C	.	.			trans	-89.5	133.7	-159.5	-177.7	0	0	0	0	114.6	S354 F505 I509 N535 V543 A544 Y545	S354-S507 WeakPolarHBondContact CB-OG 3.49Å; S354-S507 VanDerWaalsContact OG-CB 3.27Å; S354-S507 WeakPolarHBondContact OG-CB 3.5Å; S354-S507 PolarHBondContact OG-OG 2.85Å; F505-S507 VanDerWaalsContact C-N 3.3Å; F505-S507 PolarHBondContact O-N 3.24Å; S507-I509 VanDerWaalsContact C-N 3.31Å; S507-I509 PolarHBondContact O-N 3.1Å; S507-I509 WeakPolarHBondContact OG-CD1 3.48Å; S507-I509 WeakPolarHBondContact OG-CG1 3.31Å; S507-I509 PolarHBondContact OG-N 2.87Å; S507-N535 WeakPolarHBondContact CB-OD1 3.4Å; S507-V543 CarbonylContact C-O 3.6Å; S507-A544 CarbonylContact O-C 3.55Å; S507-A544 WeakPolarHBondContact O-CA 3.47Å; S507-Y545 PolarHBondContact O-N 3.46Å
508	P	91.7	Very high	91	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	15%	0.146	C	C	.	.			trans	-85.7	7.1	173.6	35.4	-35.7	0	0	0	114.3	S351 G510 M511 F512 V543	S351-P508 WeakPolarHBondContact O-CD 3.49Å; P508-G510 VanDerWaalsContact C-N 3.34Å; P508-G510 PolarHBondContact O-N 3.42Å; P508-M511 HydrophobicContact CB-CE 3.82Å; P508-M511 PolarHBondContact O-N 2.93Å; P508-F512 HydrophobicContact CB-CD2 3.92Å; P508-F512 HydrophobicContact CB-CE2 3.97Å; P508-F512 HydrophobicContact CG-CD2 4.31Å; P508-F512 HydrophobicContact CG-CE2 4.17Å; P508-F512 WeakPolarHBondContact O-CD2 3.28Å; P508-F512 PolarHBondContact O-N 3.22Å; P508-F512 VanDerWaalsContact O-N 3.11Å; P508-V543 VanDerWaalsContact CA-O 3.32Å; P508-V543 WeakPolarHBondContact CA-O 3.21Å; P508-V543 HydrophobicContact CB-CG1 3.9Å; P508-V543 HydrophobicContact CG-CG1 4.25Å
509	I	92.3	Very high	90.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-51.2	-50	-172.7	-70.2	160.9	0	0	0	111.8	L355 F358 F502 A504 S507 M511 F512 L513 F533 I547	L355-I509 HydrophobicContact CB-CG1 4.38Å; L355-I509 HydrophobicContact CD1-CG1 4.29Å; F358-I509 HydrophobicContact CB-CD1 3.82Å; F358-I509 HydrophobicContact CB-CG1 4.09Å; F358-I509 HydrophobicContact CD1-CG2 4.32Å; F358-I509 HydrophobicContact CD2-CD1 3.88Å; F358-I509 HydrophobicContact CD2-CG1 4.43Å; F358-I509 HydrophobicContact CD2-CG2 3.87Å; F358-I509 HydrophobicContact CE1-CG2 4.46Å; F358-I509 HydrophobicContact CE2-CG2 4Å; F358-I509 HydrophobicContact CG-CD1 4.09Å; F358-I509 HydrophobicContact CG-CG1 4.3Å; F358-I509 HydrophobicContact CG-CG2 4.05Å; F358-I509 HydrophobicContact CZ-CG2 4.31Å; F502-I509 HydrophobicContact CE1-CD1 4.22Å; F502-I509 HydrophobicContact CZ-CD1 4.19Å; A504-I509 HydrophobicContact CB-CD1 4.24Å; S507-I509 VanDerWaalsContact C-N 3.31Å; S507-I509 PolarHBondContact O-N 3.1Å; S507-I509 WeakPolarHBondContact OG-CD1 3.48Å; S507-I509 WeakPolarHBondContact OG-CG1 3.31Å; S507-I509 PolarHBondContact OG-N 2.87Å; I509-M511 VanDerWaalsContact C-N 3.35Å; I509-M511 PolarHBondContact O-N 3.37Å; I509-F512 PolarHBondContact O-N 3.34Å; I509-F512 VanDerWaalsContact O-N 3.13Å; I509-L513 HydrophobicContact CG2-CD1 3.65Å; I509-L513 HydrophobicContact CG2-CG 3.97Å; I509-L513 VanDerWaalsContact O-CG 3.32Å; I509-L513 WeakPolarHBondContact O-CG 3.05Å; I509-L513 PolarHBondContact O-N 3.43Å; I509-F533 HydrophobicContact CD1-CZ 4.2Å; I509-I547 HydrophobicContact CB-CD1 3.9Å; I509-I547 HydrophobicContact CG2-CD1 3.55Å
510	G	90.6	Very high	89.8	Confident	3 Å²	3	38.5 Å²	38.5	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-59.5	-41.3	-176.9	0	0	0	0	0	113.7	P508 T514	P508-G510 VanDerWaalsContact C-N 3.34Å; P508-G510 PolarHBondContact O-N 3.42Å; G510-T514 WeakPolarHBondContact O-CB 3.39Å; G510-T514 PolarHBondContact O-N 3.46Å; G510-T514 VanDerWaalsContact O-N 3.15Å; G510-T514 PolarHBondContact O-OG1 3.16Å
511	M	89.2	Confident	89.4	Confident	53 Å²	53	35.5 Å²	35.5	26%	0.261	18%	0.181	S	C	.	.	H	α-helix	trans	-62.8	-47.6	174.5	174.4	-170.6	59.1	0	0	111.1	P508 I509 T514 V515 Y545	P508-M511 HydrophobicContact CB-CE 3.82Å; P508-M511 PolarHBondContact O-N 2.93Å; I509-M511 VanDerWaalsContact C-N 3.35Å; I509-M511 PolarHBondContact O-N 3.37Å; M511-T514 WeakPolarHBondContact O-CB 3.37Å; M511-T514 PolarHBondContact O-N 2.76Å; M511-V515 HydrophobicContact CG-CG2 4.33Å; M511-V515 WeakPolarHBondContact O-CG2 3.47Å; M511-V515 PolarHBondContact O-N 2.97Å; M511-Y545 HydrophobicContact CB-CD1 3.89Å; M511-Y545 HydrophobicContact CB-CD2 3.59Å; M511-Y545 HydrophobicContact CB-CE1 3.95Å; M511-Y545 HydrophobicContact CB-CE2 3.66Å; M511-Y545 HydrophobicContact CB-CG 3.72Å; M511-Y545 HydrophobicContact CE-CE2 4.21Å; M511-Y545 HydrophobicContact CG-CE1 4.44Å; M511-Y545 HydrophobicContact CG-CE2 4.21Å; M511-Y545 HydrophobicContact SD-CE2 3.8Å
512	F	87.1	Confident	88.9	Confident	3 Å²	3	39.4 Å²	39.4	1%	0.013	20%	0.202	C	C	.	.	H	α-helix	trans	-66.5	-42.1	-177.3	-91.9	-99.6	0	0	0	113.1	V307 N311 L352 L355 P508 I509 T514 V515 R516	V307-F512 HydrophobicContact CB-CE2 4.2Å; V307-F512 HydrophobicContact CB-CZ 3.67Å; V307-F512 HydrophobicContact CG1-CE1 4Å; V307-F512 HydrophobicContact CG1-CE2 3.74Å; V307-F512 HydrophobicContact CG1-CZ 3.17Å; V307-F512 HydrophobicContact CG2-CE2 3.64Å; V307-F512 HydrophobicContact CG2-CZ 3.54Å; N311-F512 WeakPolarHBondContact ND2-CE1 3Å; N311-F512 WeakPolarHBondContact OD1-CE1 3.44Å; L352-F512 HydrophobicContact CD1-CZ 4.48Å; L355-F512 HydrophobicContact CD1-CB 3.83Å; L355-F512 HydrophobicContact CD1-CG 4.18Å; L355-F512 HydrophobicContact CD2-CB 4.03Å; L355-F512 HydrophobicContact CD2-CD1 3.35Å; L355-F512 HydrophobicContact CD2-CD2 3.72Å; L355-F512 HydrophobicContact CD2-CE1 3.39Å; L355-F512 HydrophobicContact CD2-CE2 3.78Å; L355-F512 HydrophobicContact CD2-CG 3.44Å; L355-F512 VanDerWaalsContact CD2-CG 3.44Å; L355-F512 HydrophobicContact CD2-CZ 3.55Å; L355-F512 HydrophobicContact CG-CG 4.46Å; P508-F512 HydrophobicContact CB-CD2 3.92Å; P508-F512 HydrophobicContact CB-CE2 3.97Å; P508-F512 HydrophobicContact CG-CD2 4.31Å; P508-F512 HydrophobicContact CG-CE2 4.17Å; P508-F512 WeakPolarHBondContact O-CD2 3.28Å; P508-F512 PolarHBondContact O-N 3.22Å; P508-F512 VanDerWaalsContact O-N 3.11Å; I509-F512 PolarHBondContact O-N 3.34Å; I509-F512 VanDerWaalsContact O-N 3.13Å; F512-T514 PolarHBondContact O-N 2.8Å; F512-V515 PolarHBondContact O-N 3.17Å; F512-R516 WeakPolarHBondContact O-CB 3.13Å; F512-R516 VanDerWaalsContact O-CG 3.23Å; F512-R516 WeakPolarHBondContact O-CG 2.95Å; F512-R516 PolarHBondContact O-N 3.02Å
513	L	87.9	Confident	88.4	Confident	12 Å²	12	42.4 Å²	42.4	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-57.7	-42.9	174	-67.7	-178.7	0	0	0	110.3	F358 I509 R516 G517 L518 I521 M550	F358-L513 HydrophobicContact CE1-CD1 4.14Å; F358-L513 HydrophobicContact CE1-CD2 3.84Å; F358-L513 HydrophobicContact CE1-CG 4.48Å; F358-L513 HydrophobicContact CZ-CD1 3.93Å; F358-L513 HydrophobicContact CZ-CD2 4.45Å; I509-L513 HydrophobicContact CG2-CD1 3.65Å; I509-L513 HydrophobicContact CG2-CG 3.97Å; I509-L513 VanDerWaalsContact O-CG 3.32Å; I509-L513 WeakPolarHBondContact O-CG 3.05Å; I509-L513 PolarHBondContact O-N 3.43Å; L513-R516 PolarHBondContact O-N 3.42Å; L513-G517 PolarHBondContact O-N 2.88Å; L513-L518 HydrophobicContact CB-CB 4.28Å; L513-L518 HydrophobicContact CB-CD2 4.16Å; L513-L518 HydrophobicContact CD1-CD2 4.24Å; L513-L518 HydrophobicContact CD2-CD2 4.12Å; L513-L518 HydrophobicContact CG-CD2 4.4Å; L513-L518 WeakPolarHBondContact O-CA 3.29Å; L513-L518 WeakPolarHBondContact O-CB 3.12Å; L513-L518 PolarHBondContact O-N 3.24Å; L513-I521 HydrophobicContact CD1-CD1 4.03Å; L513-M550 HydrophobicContact CB-CE 3.63Å; L513-M550 HydrophobicContact CB-SD 4.21Å; L513-M550 HydrophobicContact CD1-CE 4.45Å; L513-M550 HydrophobicContact CD1-SD 4.46Å
514	T	86.9	Confident	87.9	Confident	84 Å²	84	48.2 Å²	48.2	52%	0.515	25%	0.253	S	S	.	.	H	α-helix	trans	-63.3	-47.6	176.3	-56.2	0	0	0	0	112.3	G510 M511 F512 R516 G517	G510-T514 WeakPolarHBondContact O-CB 3.39Å; G510-T514 PolarHBondContact O-N 3.46Å; G510-T514 VanDerWaalsContact O-N 3.15Å; G510-T514 PolarHBondContact O-OG1 3.16Å; M511-T514 WeakPolarHBondContact O-CB 3.37Å; M511-T514 PolarHBondContact O-N 2.76Å; F512-T514 PolarHBondContact O-N 2.8Å; T514-R516 VanDerWaalsContact C-N 3.3Å; T514-R516 PolarHBondContact O-N 3.34Å; T514-G517 WeakPolarHBondContact O-CA 3.39Å; T514-G517 PolarHBondContact O-N 3.21Å
515	V	84.7	Confident	87.5	Confident	111 Å²	111	50.5 Å²	50.5	67%	0.673	26%	0.262	S	S	*	.	H	α-helix	trans	-63.4	-35.4	178.7	170.3	0	0	0	0	111.8	M511 F512 G517	M511-V515 HydrophobicContact CG-CG2 4.33Å; M511-V515 WeakPolarHBondContact O-CG2 3.47Å; M511-V515 PolarHBondContact O-N 2.97Å; F512-V515 PolarHBondContact O-N 3.17Å; V515-G517 PolarHBondContact O-N 3.34Å
516	R	84.5	Confident	87.3	Confident	41 Å²	41	57.4 Å²	57.4	16%	0.155	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	0.2	173.6	-70.4	171.4	176.5	172.7	-4.3	113.4	D359 V483 I485 F512 L513 T514	D359-R516 VanDerWaalsContact CG-NH1 3.33Å; D359-R516 IonicContact OD1-CZ 3.99Å; D359-R516 IonicContact OD1-NH1 3.04Å; D359-R516 PolarHBondContact OD1-NH1 3.29Å; D359-R516 IonicContact OD1-NH2 2.78Å; D359-R516 IonicContact OD2-CZ 2.89Å; D359-R516 IonicContact OD2-NH1 2.68Å; D359-R516 PolarHBondContact OD2-NH1 3.28Å; D359-R516 VanDerWaalsContact OD2-NH1 3.09Å; D359-R516 IonicContact OD2-NH2 3.06Å; D359-R516 PolarHBondContact OD2-NH2 2.85Å; V483-R516 WeakPolarHBondContact CG1-O 3.28Å; I485-R516 HydrophobicContact CG2-CG 4.4Å; F512-R516 WeakPolarHBondContact O-CB 3.13Å; F512-R516 VanDerWaalsContact O-CG 3.23Å; F512-R516 WeakPolarHBondContact O-CG 2.95Å; F512-R516 PolarHBondContact O-N 3.02Å; L513-R516 PolarHBondContact O-N 3.42Å; T514-R516 VanDerWaalsContact C-N 3.3Å; T514-R516 PolarHBondContact O-N 3.34Å
517	G	80.4	Confident	87.3	Confident	42 Å²	42	57.8 Å²	57.8	43%	0.433	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	3.3	176.5	0	0	0	0	0	114.6	L513 T514 V515 K519	L513-G517 PolarHBondContact O-N 2.88Å; T514-G517 WeakPolarHBondContact O-CA 3.39Å; T514-G517 PolarHBondContact O-N 3.21Å; V515-G517 PolarHBondContact O-N 3.34Å; G517-K519 PolarHBondContact O-N 3.03Å
518	L	83.1	Confident	87.1	Confident	22 Å²	22	59.4 Å²	59.4	12%	0.115	30%	0.3	C	S	.	.			trans	-79.4	108.5	176.6	-164.4	77.1	0	0	0	109.8	L481 V483 L513 R520 I521 M550	L481-L518 HydrophobicContact CD2-CD1 3.65Å; L481-L518 HydrophobicContact CD2-CD2 4.35Å; V483-L518 HydrophobicContact CG2-CD1 3.87Å; L513-L518 HydrophobicContact CB-CB 4.28Å; L513-L518 HydrophobicContact CB-CD2 4.16Å; L513-L518 HydrophobicContact CD1-CD2 4.24Å; L513-L518 HydrophobicContact CD2-CD2 4.12Å; L513-L518 HydrophobicContact CG-CD2 4.4Å; L513-L518 WeakPolarHBondContact O-CA 3.29Å; L513-L518 WeakPolarHBondContact O-CB 3.12Å; L513-L518 PolarHBondContact O-N 3.24Å; L518-R520 WeakPolarHBondContact CG-O 3.21Å; L518-I521 HydrophobicContact CD2-CG1 3.89Å; L518-M550 WeakPolarHBondContact O-CE 3.21Å
519	K	79.1	Confident	86.9	Confident	186 Å²	186	60.3 Å²	60.3	81%	0.809	31%	0.305	S	S	*	.			trans	-87.9	-25.1	179.1	-63.8	-176.5	-179.2	179.9	0	113.4	G517	G517-K519 PolarHBondContact O-N 3.03Å
520	R	85.4	Confident	86.9	Confident	170 Å²	170	60.6 Å²	60.6	64%	0.642	31%	0.307	S	S	*	.			trans	-149	145.7	-174.6	-65.2	179.8	178.3	-178.1	0.1	110.3	L518 M550 P553	L518-R520 WeakPolarHBondContact CG-O 3.21Å; R520-M550 CarbonylContact C-O 3.4Å; R520-M550 VanDerWaalsContact CA-O 3.29Å; R520-M550 WeakPolarHBondContact CA-O 3.22Å; R520-P553 HydrophobicContact CG-CG 4.26Å
521	I	86.8	Confident	86.8	Confident	7 Å²	7	69 Å²	69	4%	0.036	34%	0.343	C	S	.	.			trans	-101.4	132.5	168	-60.5	171.2	0	0	0	106.6	L513 L518 P523 Y525 I547 M550 V551	L513-I521 HydrophobicContact CD1-CD1 4.03Å; L518-I521 HydrophobicContact CD2-CG1 3.89Å; I521-P523 WeakPolarHBondContact O-CD 3.34Å; I521-Y525 HydrophobicContact CG2-CD1 4.12Å; I521-Y525 HydrophobicContact CG2-CG 4.45Å; I521-I547 HydrophobicContact CD1-CG2 4.1Å; I521-M550 HydrophobicContact CD1-CB 4.25Å; I521-M550 HydrophobicContact CG1-CB 4.32Å; I521-M550 PolarHBondContact N-O 3.24Å; I521-V551 HydrophobicContact CB-CG2 4.09Å; I521-V551 HydrophobicContact CD1-CG2 4.1Å; I521-V551 HydrophobicContact CG2-CG2 4.37Å
522	D	86.5	Confident	87	Confident	90 Å²	90	66.9 Å²	66.9	48%	0.481	33%	0.334	S	S	.	.			trans	-59.6	126.7	176.2	-170.4	-52.2	0	0	0	109.5	N524 Y525	D522-N524 PolarHBondContact O-N 3.49Å; D522-N524 VanDerWaalsContact OD1-CB 3.31Å; D522-N524 WeakPolarHBondContact OD1-CB 3.18Å; D522-N524 PolarHBondContact OD1-N 3.38Å; D522-N524 PolarHBondContact OD1-ND2 3.25Å; D522-Y525 WeakPolarHBondContact O-CB 3.21Å; D522-Y525 PolarHBondContact O-N 3.04Å
523	P	87	Confident	87.5	Confident	62 Å²	62	66.7 Å²	66.7	40%	0.403	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-19.7	178.1	-25.7	34.1	0	0	0	114.5	I521 G651 M652	I521-P523 WeakPolarHBondContact O-CD 3.34Å; P523-G651 CarbonylContact O-C 3.53Å; P523-G651 WeakPolarHBondContact O-CA 3.46Å; P523-M652 WeakPolarHBondContact O-CB 3.37Å; P523-M652 WeakPolarHBondContact O-CG 3.34Å; P523-M652 PolarHBondContact O-N 3.15Å
524	N	88.3	Confident	87.9	Confident	123 Å²	123	66.3 Å²	66.3	66%	0.658	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-10.3	176.1	-57.9	-61.1	0	0	0	113.2	D522	D522-N524 PolarHBondContact O-N 3.49Å; D522-N524 VanDerWaalsContact OD1-CB 3.31Å; D522-N524 WeakPolarHBondContact OD1-CB 3.18Å; D522-N524 PolarHBondContact OD1-N 3.38Å; D522-N524 PolarHBondContact OD1-ND2 3.25Å
525	Y	88.7	Confident	88.4	Confident	48 Å²	48	62.3 Å²	62.3	19%	0.188	31%	0.307	C	S	.	.			trans	-62.1	138.4	179.6	-177.8	-102.2	0	0	0	111	T362 L481 I521 D522 M652 L653	T362-Y525 WeakPolarHBondContact CA-OH 3.49Å; T362-Y525 WeakPolarHBondContact CB-OH 3.39Å; T362-Y525 HydrophobicContact CG2-CE1 4.42Å; T362-Y525 VanDerWaalsContact CG2-OH 3.28Å; T362-Y525 WeakPolarHBondContact CG2-OH 3.35Å; L481-Y525 HydrophobicContact CD1-CD2 4.28Å; L481-Y525 HydrophobicContact CD1-CE1 4.47Å; L481-Y525 HydrophobicContact CD1-CE2 3.87Å; I521-Y525 HydrophobicContact CG2-CD1 4.12Å; I521-Y525 HydrophobicContact CG2-CG 4.45Å; D522-Y525 WeakPolarHBondContact O-CB 3.21Å; D522-Y525 PolarHBondContact O-N 3.04Å; Y525-M652 CarbonylContact O-C 3.55Å; Y525-L653 HydrophobicContact CD1-CD1 3.83Å; Y525-L653 HydrophobicContact CE1-CD1 3.95Å; Y525-L653 WeakPolarHBondContact O-CA 3.28Å; Y525-L653 PolarHBondContact O-N 3.4Å; Y525-L653 VanDerWaalsContact O-N 3.1Å
526	R	89.9	Confident	88.9	Confident	147 Å²	147	57 Å²	57	56%	0.555	28%	0.275	S	S	*	.			trans	-136.1	149.7	175.9	-56.2	-173.3	-171.1	-176.9	-4.2	108	M652	R526-M652 HydrophobicContact CG-CB 3.53Å; R526-M652 VanDerWaalsContact CZ-CE 3.41Å; R526-M652 PolarHBondContact NH2-SD 3.19Å
527	F	91.3	Very high	89.4	Confident	8 Å²	8	56 Å²	56	4%	0.035	27%	0.271	C	S	.	.			trans	-63.5	138.9	166.9	-67.1	-71.2	0	0	0	109.6	F358 L361 T362 F502 T529 C530 F533 L653	F358-F527 AromaticContact CD2-CE1 3.95Å; F358-F527 HydrophobicContact CD2-CE1 3.95Å; F358-F527 AromaticContact CD2-CZ 3.61Å; F358-F527 HydrophobicContact CD2-CZ 3.61Å; F358-F527 AromaticContact CE2-CE1 3.9Å; F358-F527 HydrophobicContact CE2-CE1 3.9Å; F358-F527 AromaticContact CE2-CZ 3.52Å; F358-F527 HydrophobicContact CE2-CZ 3.52Å; F358-F527 HydrophobicContact CG-CE1 4.49Å; F358-F527 HydrophobicContact CZ-CE1 4.38Å; F358-F527 HydrophobicContact CZ-CZ 4.37Å; L361-F527 HydrophobicContact CB-CD1 3.68Å; L361-F527 HydrophobicContact CB-CE1 3.9Å; L361-F527 HydrophobicContact CB-CG 4.4Å; L361-F527 HydrophobicContact CD1-CD1 4.46Å; T362-F527 HydrophobicContact CG2-CD1 4.09Å; T362-F527 HydrophobicContact CG2-CE1 3.65Å; F502-F527 HydrophobicContact CD1-CE2 4.43Å; F502-F527 HydrophobicContact CD1-CZ 4.26Å; F527-T529 VanDerWaalsContact C-N 3.27Å; F527-T529 PolarHBondContact O-N 2.73Å; F527-C530 HydrophobicContact CB-CB 3.83Å; F527-C530 WeakPolarHBondContact CB-O 3.38Å; F527-C530 HydrophobicContact CD2-CB 4.37Å; F527-C530 HydrophobicContact CG-CB 4.31Å; F527-F533 HydrophobicContact CD2-CB 4.47Å; F527-F533 HydrophobicContact CE2-CB 3.85Å; F527-F533 HydrophobicContact CE2-CD1 4.19Å; F527-F533 HydrophobicContact CE2-CD2 4.2Å; F527-F533 AromaticContact CE2-CG 3.81Å; F527-F533 HydrophobicContact CE2-CG 3.81Å; F527-F533 HydrophobicContact CZ-CG 4.46Å; F527-L653 HydrophobicContact CD2-CD1 3.7Å; F527-L653 HydrophobicContact CE1-CD1 4.46Å; F527-L653 HydrophobicContact CE2-CD1 3.41Å; F527-L653 VanDerWaalsContact CE2-CD1 3.41Å; F527-L653 HydrophobicContact CE2-CG 4.11Å; F527-L653 HydrophobicContact CG-CD1 4.33Å; F527-L653 HydrophobicContact CZ-CD1 3.85Å
528	P	88.1	Confident	89.9	Confident	35 Å²	35	54.4 Å²	54.4	23%	0.227	25%	0.252	C	S	.	.	S	Bend	trans	-58.7	-36.1	179.6	-27.5	35.2	0	0	0	113.8	L361 Q364 D366	L361-P528 WeakPolarHBondContact O-CD 3.37Å; Q364-P528 HydrophobicContact CB-CB 4.18Å; Q364-P528 HydrophobicContact CB-CG 4.47Å; Q364-P528 WeakPolarHBondContact O-CG 3.36Å; D366-P528 VanDerWaalsContact OD1-O 3.12Å
529	T	87.4	Confident	90.1	Very high	19 Å²	19	55.8 Å²	55.8	12%	0.117	26%	0.263	C	S	.	.	S	Bend	trans	-119	-6.5	-173.7	53.4	0	0	0	0	114.5	Q364 K498 F527	Q364-T529 HydrophobicContact CB-CG2 3.81Å; Q364-T529 HydrophobicContact CG-CG2 4.44Å; K498-T529 HydrophobicContact CG-CG2 4.27Å; F527-T529 VanDerWaalsContact C-N 3.27Å; F527-T529 PolarHBondContact O-N 2.73Å
530	C	91.5	Very high	90.5	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.041	23%	0.232	C	C	.	.			trans	-122	131	-172.5	-170.1	0	0	0	0	111.6	L361 P499 F502 F527 G532	L361-C530 HydrophobicContact CD1-CB 4.1Å; L361-C530 HydrophobicContact CD2-CB 4.27Å; P499-C530 VanDerWaalsContact O-CA 3.24Å; P499-C530 WeakPolarHBondContact O-CA 3.29Å; F502-C530 PolarHBondContact N-SG 3.23Å; F527-C530 HydrophobicContact CB-CB 3.83Å; F527-C530 WeakPolarHBondContact CB-O 3.38Å; F527-C530 HydrophobicContact CD2-CB 4.37Å; F527-C530 HydrophobicContact CG-CB 4.31Å; C530-G532 PolarHBondContact SG-O 3.26Å
531	K	89.1	Confident	90.5	Very high	180 Å²	180	41 Å²	41	78%	0.783	20%	0.203	S	C	*	.			trans	-96.5	-34.3	-174.1	-64.3	177.6	-175.5	170	0	112.6	E500	E500-K531 PolarHBondContact O-N 3.03Å; E500-K531 VanDerWaalsContact O-N 3.11Å
532	G	93.4	Very high	90.4	Very high	8 Å²	8	43.7 Å²	43.7	8%	0.082	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	138	-177.7	0	0	0	0	0	112.5	E500 I501 F502 C530 N654	E500-G532 PolarHBondContact O-N 2.7Å; I501-G532 WeakPolarHBondContact CA-O 3.16Å; F502-G532 PolarHBondContact N-O 2.85Å; C530-G532 PolarHBondContact SG-O 3.26Å; G532-N654 VanDerWaalsContact CA-OD1 3.25Å; G532-N654 WeakPolarHBondContact CA-OD1 3.36Å
533	F	96.6	Very high	90.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	120.4	173.6	179.2	-129.8	0	0	0	112.2	F358 F502 A504 I509 F527 N535 I547 L653 N654 I659	F358-F533 HydrophobicContact CD2-CZ 4.41Å; F502-F533 HydrophobicContact CB-CD2 4.09Å; F502-F533 AromaticContact CD1-CD2 3.28Å; F502-F533 HydrophobicContact CD1-CD2 3.28Å; F502-F533 AromaticContact CD1-CE2 3.37Å; F502-F533 HydrophobicContact CD1-CE2 3.37Å; F502-F533 HydrophobicContact CD1-CG 4.39Å; F502-F533 AromaticContact CE1-CD2 3.83Å; F502-F533 HydrophobicContact CE1-CD2 3.83Å; F502-F533 AromaticContact CE1-CE2 3.36Å; F502-F533 HydrophobicContact CE1-CE2 3.36Å; F502-F533 HydrophobicContact CE1-CZ 4.27Å; F502-F533 AromaticContact CG-CD2 3.85Å; F502-F533 HydrophobicContact CG-CD2 3.85Å; F502-F533 HydrophobicContact CG-CE2 4.15Å; F502-F533 HydrophobicContact CZ-CE2 4.13Å; F502-F533 WeakPolarHBondContact O-CA 3.47Å; A504-F533 HydrophobicContact CB-CE2 4.01Å; I509-F533 HydrophobicContact CD1-CZ 4.2Å; F527-F533 HydrophobicContact CD2-CB 4.47Å; F527-F533 HydrophobicContact CE2-CB 3.85Å; F527-F533 HydrophobicContact CE2-CD1 4.19Å; F527-F533 HydrophobicContact CE2-CD2 4.2Å; F527-F533 AromaticContact CE2-CG 3.81Å; F527-F533 HydrophobicContact CE2-CG 3.81Å; F527-F533 HydrophobicContact CZ-CG 4.46Å; F533-N535 HydrophobicContact CZ-CB 4.46Å; F533-I547 HydrophobicContact CE1-CG1 4.18Å; F533-I547 HydrophobicContact CE1-CG2 4.22Å; F533-I547 HydrophobicContact CZ-CG1 4.37Å; F533-L653 HydrophobicContact CD1-CD2 3.64Å; F533-L653 HydrophobicContact CD1-CG 3.85Å; F533-L653 HydrophobicContact CE1-CD2 3.94Å; F533-N654 HydrophobicContact CB-CB 4.49Å; F533-N654 PolarHBondContact N-OD1 3.05Å; F533-N654 PolarHBondContact O-ND2 3.19Å; F533-I659 HydrophobicContact CD1-CG2 3.55Å; F533-I659 HydrophobicContact CE1-CG2 3.61Å; F533-I659 HydrophobicContact CG-CG2 4.45Å
534	F	97.1	Very high	90.5	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.5	-176.9	-61.3	-96.8	0	0	0	109.7	I501 F502 F503 A504 I536 Y661 E697	I501-F534 HydrophobicContact CG2-CD2 3.43Å; I501-F534 VanDerWaalsContact CG2-CD2 3.43Å; I501-F534 HydrophobicContact CG2-CE2 3.48Å; I501-F534 VanDerWaalsContact CG2-CE2 3.48Å; F502-F534 PolarHBondContact O-N 3.04Å; F503-F534 HydrophobicContact CD1-CB 3.9Å; F503-F534 HydrophobicContact CD1-CD2 4.05Å; F503-F534 HydrophobicContact CD1-CG 4.17Å; F503-F534 HydrophobicContact CE1-CB 4.39Å; F503-F534 AromaticContact CE1-CD2 3.82Å; F503-F534 HydrophobicContact CE1-CD2 3.82Å; F503-F534 HydrophobicContact CE1-CE2 4.36Å; F503-F534 HydrophobicContact CE1-CG 4.15Å; A504-F534 PolarHBondContact N-O 3.41Å; F534-I536 HydrophobicContact CB-CD1 4.35Å; F534-I536 HydrophobicContact CB-CG1 4.46Å; F534-Y661 HydrophobicContact CD1-CD2 4.13Å; F534-Y661 HydrophobicContact CD1-CE1 4.38Å; F534-Y661 AromaticContact CD1-CE2 3.47Å; F534-Y661 HydrophobicContact CD1-CE2 3.47Å; F534-Y661 VanDerWaalsContact CD1-CE2 3.47Å; F534-Y661 AromaticContact CD1-CZ 3.6Å; F534-Y661 HydrophobicContact CE1-CE2 4.01Å; F534-Y661 AromaticContact CE1-CZ 3.75Å; F534-Y661 WeakPolarHBondContact CE1-OH 3.26Å; F534-E697 HydrophobicContact CD1-CG 4.39Å; F534-E697 HydrophobicContact CE1-CB 4.5Å; F534-E697 HydrophobicContact CE1-CG 3.69Å; F534-E697 HydrophobicContact CE2-CB 4.31Å; F534-E697 HydrophobicContact CE2-CG 4.36Å; F534-E697 HydrophobicContact CZ-CB 4.02Å; F534-E697 HydrophobicContact CZ-CG 3.68Å; F534-E697 WeakPolarHBondContact CZ-OE2 3.38Å
535	N	96.8	Very high	90.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	103.7	172.8	-176.8	40.1	0	0	0	109.3	S507 F533 Y545 I547 I659 D660 Y661	S507-N535 WeakPolarHBondContact CB-OD1 3.4Å; F533-N535 HydrophobicContact CZ-CB 4.46Å; N535-Y545 PolarHBondContact ND2-O 2.85Å; N535-I547 HydrophobicContact CB-CG1 4.31Å; N535-I659 HydrophobicContact CB-CG2 4.07Å; N535-I659 PolarHBondContact N-O 2.97Å; N535-D660 PolarHBondContact ND2-OD1 3.2Å; N535-D660 WeakPolarHBondContact O-CA 3.47Å; N535-Y661 PolarHBondContact O-N 3.21Å
536	I	96.3	Very high	90.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.8	-174.6	-61.9	154.3	0	0	0	109.2	F503 A504 F505 G506 F534 I562 Y661 T690 L693	F503-I536 HydrophobicContact CD1-CD1 4.21Å; A504-I536 PolarHBondContact O-N 3.34Å; F505-I536 WeakPolarHBondContact CA-O 3.22Å; F505-I536 HydrophobicContact CD1-CB 4.13Å; F505-I536 HydrophobicContact CD1-CD1 4.08Å; F505-I536 HydrophobicContact CE1-CD1 3.75Å; G506-I536 PolarHBondContact N-O 3.42Å; F534-I536 HydrophobicContact CB-CD1 4.35Å; F534-I536 HydrophobicContact CB-CG1 4.46Å; I536-I562 HydrophobicContact CG2-CD1 3.7Å; I536-Y661 WeakPolarHBondContact CA-O 3.21Å; I536-T690 HydrophobicContact CG2-CG2 4.3Å; I536-L693 HydrophobicContact CD1-CD2 3.76Å; I536-L693 HydrophobicContact CG1-CD2 3.88Å
537	Y	94.3	Very high	91.1	Very high	20 Å²	20	31.1 Å²	31.1	8%	0.078	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	158.3	-178.9	59.2	-91.5	0	0	0	114.1	A544 R546 P559 D660 Y661 V662 L663 Y684	Y537-A544 VanDerWaalsContact CB-CB 3.43Å; Y537-A544 HydrophobicContact CG-CB 4.12Å; Y537-R546 HydrophobicContact CE1-CG 4.14Å; Y537-R546 WeakPolarHBondContact OH-CD 3Å; Y537-R546 VanDerWaalsContact OH-CG 3.3Å; Y537-R546 WeakPolarHBondContact OH-CG 3.41Å; Y537-P559 WeakPolarHBondContact OH-CB 3.1Å; Y537-P559 VanDerWaalsContact OH-CG 3.22Å; Y537-P559 WeakPolarHBondContact OH-CG 3.43Å; Y537-D660 HydrophobicContact CE1-CB 3.93Å; Y537-Y661 PolarHBondContact N-O 3.14Å; Y537-V662 HydrophobicContact CD2-CG2 4.16Å; Y537-V662 HydrophobicContact CE2-CB 3.98Å; Y537-V662 HydrophobicContact CE2-CG2 3.8Å; Y537-V662 WeakPolarHBondContact O-CA 3.29Å; Y537-L663 PolarHBondContact O-N 3.47Å; Y537-Y684 WeakPolarHBondContact CA-OH 3.5Å
538	H	90.9	Very high	91.1	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.032	16%	0.155	C	C	.	.			trans	-89.6	138.8	168.7	-168.1	-81.4	0	0	0	109.5	F540 D541 L663 E669 S680 Y684	H538-F540 AromaticContact CE1-CD2 3.7Å; H538-F540 PolarHBondContact ND1-N 3.35Å; H538-F540 PolarHBondContact O-N 3.37Å; H538-F540 VanDerWaalsContact O-N 3.16Å; H538-D541 HydrophobicContact CB-CB 4.19Å; H538-D541 VanDerWaalsContact O-CB 3.31Å; H538-D541 WeakPolarHBondContact O-CB 3.35Å; H538-D541 PolarHBondContact O-N 3.32Å; H538-L663 HydrophobicContact CB-CD1 4.47Å; H538-E669 IonicContact CE1-OE2 3.87Å; H538-E669 IonicContact NE2-OE2 3.14Å; H538-S680 WeakPolarHBondContact ND1-CB 3.49Å; H538-Y684 HydrophobicContact CB-CE1 4.36Å; H538-Y684 PolarHBondContact N-OH 3.05Å
539	P	87.9	Confident	91.3	Very high	52 Å²	52	32.2 Å²	32.2	34%	0.338	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.3	-176.1	21.1	-33.5	0	0	0	114.1	V662 L663 E665	P539-V662 HydrophobicContact CB-CG2 4.25Å; P539-V662 HydrophobicContact CG-CG2 4.38Å; P539-L663 WeakPolarHBondContact CD-O 3.29Å; P539-E665 HydrophobicContact CG-CG 3.59Å
540	F	86.4	Confident	91.4	Very high	35 Å²	35	32 Å²	32	15%	0.154	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	10.6	176.4	-53.3	-41.7	0	0	0	114.4	H538 P542 E665 E669 E673 A677 S680	H538-F540 AromaticContact CE1-CD2 3.7Å; H538-F540 PolarHBondContact ND1-N 3.35Å; H538-F540 PolarHBondContact O-N 3.37Å; H538-F540 VanDerWaalsContact O-N 3.16Å; F540-P542 VanDerWaalsContact O-CD 3.3Å; F540-P542 WeakPolarHBondContact O-CD 3.38Å; F540-E665 HydrophobicContact CE2-CG 4Å; F540-E665 HydrophobicContact CZ-CG 4.18Å; F540-E669 HydrophobicContact CD2-CB 4.43Å; F540-E669 HydrophobicContact CE2-CB 4.24Å; F540-E673 HydrophobicContact CD1-CG 4.36Å; F540-E673 HydrophobicContact CE1-CG 4.04Å; F540-E673 HydrophobicContact CZ-CG 4.44Å; F540-A677 WeakPolarHBondContact O-CA 3.17Å; F540-S680 PolarHBondContact O-OG 3.29Å
541	D	87.2	Confident	91.2	Very high	9 Å²	9	31.8 Å²	31.8	5%	0.048	16%	0.161	C	C	.	.			trans	-74.2	115	175	-176.5	-18.8	0	0	0	109.6	G506 H538 V543 A544 S680 H681 Y684	G506-D541 WeakPolarHBondContact CA-OD2 3.32Å; H538-D541 HydrophobicContact CB-CB 4.19Å; H538-D541 VanDerWaalsContact O-CB 3.31Å; H538-D541 WeakPolarHBondContact O-CB 3.35Å; H538-D541 PolarHBondContact O-N 3.32Å; D541-V543 PolarHBondContact O-N 3.48Å; D541-V543 PolarHBondContact OD1-N 3.21Å; D541-A544 HydrophobicContact CB-CB 3.76Å; D541-A544 PolarHBondContact O-N 3.31Å; D541-A544 PolarHBondContact OD1-N 2.99Å; D541-S680 PolarHBondContact N-OG 3.12Å; D541-H681 VanDerWaalsContact CG-ND1 3.26Å; D541-H681 IonicContact OD1-CE1 3.37Å; D541-H681 IonicContact OD1-CG 2.79Å; D541-H681 IonicContact OD1-ND1 3.41Å; D541-H681 PolarHBondContact OD1-ND1 3.33Å; D541-H681 WeakPolarHBondContact OD2-CA 3.48Å; D541-H681 IonicContact OD2-CE1 2.73Å; D541-H681 IonicContact OD2-CG 2.95Å; D541-H681 IonicContact OD2-ND1 3.29Å; D541-H681 PolarHBondContact OD2-ND1 3.36Å; D541-Y684 WeakPolarHBondContact CB-OH 3.21Å; D541-Y684 WeakPolarHBondContact OD2-CE2 3.5Å; D541-Y684 PolarHBondContact OD2-OH 3.45Å
542	P	83.2	Confident	91.1	Very high	65 Å²	65	24.7 Å²	24.7	42%	0.422	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.3	-175.3	29.6	-34.6	0	0	0	113.7	F299 F540 A677	F299-P542 HydrophobicContact CE1-CG 4.38Å; F299-P542 HydrophobicContact CZ-CG 4.12Å; F540-P542 VanDerWaalsContact O-CD 3.3Å; F540-P542 WeakPolarHBondContact O-CD 3.38Å; P542-A677 WeakPolarHBondContact CD-O 3.27Å; P542-A677 HydrophobicContact CG-CB 4.37Å
543	V	85.1	Confident	90.2	Very high	17 Å²	17	27 Å²	27	10%	0.103	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-9.5	-176.3	-175.1	0	0	0	0	111.6	F299 T303 S507 P508 D541 Y545	F299-V543 HydrophobicContact CZ-CG2 3.92Å; T303-V543 HydrophobicContact CG2-CG1 4.25Å; T303-V543 HydrophobicContact CG2-CG2 3.82Å; S507-V543 CarbonylContact C-O 3.6Å; P508-V543 VanDerWaalsContact CA-O 3.32Å; P508-V543 WeakPolarHBondContact CA-O 3.21Å; P508-V543 HydrophobicContact CB-CG1 3.9Å; P508-V543 HydrophobicContact CG-CG1 4.25Å; D541-V543 PolarHBondContact O-N 3.48Å; D541-V543 PolarHBondContact OD1-N 3.21Å; V543-Y545 WeakPolarHBondContact O-CD2 3.2Å
544	A	90.8	Very high	89	Confident	19 Å²	19	31 Å²	31	16%	0.157	19%	0.188	C	C	.	.			trans	-82.3	130.6	179.5	0	0	0	0	0	112.5	S507 Y537 D541	S507-A544 CarbonylContact O-C 3.55Å; S507-A544 WeakPolarHBondContact O-CA 3.47Å; Y537-A544 VanDerWaalsContact CB-CB 3.43Å; Y537-A544 HydrophobicContact CG-CB 4.12Å; D541-A544 HydrophobicContact CB-CB 3.76Å; D541-A544 PolarHBondContact O-N 3.31Å; D541-A544 PolarHBondContact OD1-N 2.99Å
545	Y	92.6	Very high	88.1	Confident	96 Å²	96	34.7 Å²	34.7	38%	0.376	21%	0.21	S	C	.	.			trans	-128.9	145.5	176.8	-68.4	-96.8	0	0	0	111.6	S507 M511 N535 V543	S507-Y545 PolarHBondContact O-N 3.46Å; M511-Y545 HydrophobicContact CB-CD1 3.89Å; M511-Y545 HydrophobicContact CB-CD2 3.59Å; M511-Y545 HydrophobicContact CB-CE1 3.95Å; M511-Y545 HydrophobicContact CB-CE2 3.66Å; M511-Y545 HydrophobicContact CB-CG 3.72Å; M511-Y545 HydrophobicContact CE-CE2 4.21Å; M511-Y545 HydrophobicContact CG-CE1 4.44Å; M511-Y545 HydrophobicContact CG-CE2 4.21Å; M511-Y545 HydrophobicContact SD-CE2 3.8Å; N535-Y545 PolarHBondContact ND2-O 2.85Å; V543-Y545 WeakPolarHBondContact O-CD2 3.2Å
546	R	93.7	Very high	87.1	Confident	74 Å²	74	44.4 Å²	44.4	28%	0.279	26%	0.255	S	S	.	.			trans	-73.9	147.8	178.7	-72.4	-171.6	66.3	-176.3	2.8	112.6	Y537 E548 P549 F557 D660	Y537-R546 HydrophobicContact CE1-CG 4.14Å; Y537-R546 WeakPolarHBondContact OH-CD 3Å; Y537-R546 VanDerWaalsContact OH-CG 3.3Å; Y537-R546 WeakPolarHBondContact OH-CG 3.41Å; R546-E548 IonicContact NH2-OE2 2.82Å; R546-E548 PolarHBondContact NH2-OE2 3.45Å; R546-P549 HydrophobicContact CB-CG 4.09Å; R546-F557 PolarHBondContact NH1-O 2.86Å; R546-F557 VanDerWaalsContact NH1-O 3.1Å; R546-F557 PolarHBondContact NH2-O 3.17Å; R546-D660 VanDerWaalsContact CB-OD2 3.23Å; R546-D660 WeakPolarHBondContact CB-OD2 3.32Å; R546-D660 IonicContact NE-OD2 3.85Å; R546-D660 PolarHBondContact NE-OD2 3.19Å; R546-D660 VanDerWaalsContact NE-OD2 3.17Å; R546-D660 IonicContact NH2-OD2 3.54Å
547	I	92.6	Very high	86.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-106.9	-37	177.1	-58.5	-61.9	0	0	0	112.1	I509 I521 F533 N535 P549 M550 V551 L653 I659 D660	I509-I547 HydrophobicContact CB-CD1 3.9Å; I509-I547 HydrophobicContact CG2-CD1 3.55Å; I521-I547 HydrophobicContact CD1-CG2 4.1Å; F533-I547 HydrophobicContact CE1-CG1 4.18Å; F533-I547 HydrophobicContact CE1-CG2 4.22Å; F533-I547 HydrophobicContact CZ-CG1 4.37Å; N535-I547 HydrophobicContact CB-CG1 4.31Å; I547-P549 VanDerWaalsContact C-N 3.33Å; I547-M550 WeakPolarHBondContact O-CB 3.41Å; I547-M550 PolarHBondContact O-N 3.04Å; I547-V551 HydrophobicContact CG2-CG2 4.17Å; I547-V551 PolarHBondContact O-N 3.34Å; I547-L653 HydrophobicContact CG2-CD2 4.24Å; I547-I659 HydrophobicContact CB-CG2 4.14Å; I547-I659 HydrophobicContact CG2-CG2 4.36Å; I547-D660 PolarHBondContact N-OD1 3.19Å; I547-D660 PolarHBondContact N-OD2 3.2Å; I547-D660 VanDerWaalsContact N-OD2 3.11Å
548	E	92.8	Very high	86	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-55.4	-39.3	-174	-58.7	-178.6	140.7	0	0	114	R546 M550 V551 V552 F557 V650 R658 I659 D660	R546-E548 IonicContact NH2-OE2 2.82Å; R546-E548 PolarHBondContact NH2-OE2 3.45Å; E548-M550 PolarHBondContact O-N 2.97Å; E548-M550 VanDerWaalsContact O-N 3.15Å; E548-V551 PolarHBondContact O-N 2.73Å; E548-V552 PolarHBondContact O-N 3.21Å; E548-F557 HydrophobicContact CB-CE2 4.15Å; E548-F557 HydrophobicContact CB-CZ 3.9Å; E548-F557 HydrophobicContact CG-CE2 4.41Å; E548-F557 HydrophobicContact CG-CZ 4.5Å; E548-F557 WeakPolarHBondContact OE2-CE2 3.3Å; E548-V650 HydrophobicContact CB-CG1 3.86Å; E548-V650 HydrophobicContact CG-CG1 3.75Å; E548-R658 WeakPolarHBondContact OE1-CA 3.4Å; E548-R658 IonicContact OE1-CZ 3.84Å; E548-R658 IonicContact OE1-NE 3.78Å; E548-R658 PolarHBondContact OE1-NE 3.34Å; E548-R658 IonicContact OE1-NH2 3.93Å; E548-R658 PolarHBondContact OE1-NH2 3.38Å; E548-R658 IonicContact OE2-CZ 3.81Å; E548-R658 IonicContact OE2-NE 3.72Å; E548-R658 IonicContact OE2-NH2 3.95Å; E548-R658 PolarHBondContact OE2-NH2 3.3Å; E548-I659 HydrophobicContact CG-CB 3.88Å; E548-I659 PolarHBondContact OE1-N 3.35Å; E548-D660 WeakPolarHBondContact CB-OD2 3.32Å; E548-D660 HydrophobicContact CG-CB 3.83Å; E548-D660 VanDerWaalsContact CG-OD2 3.28Å; E548-D660 WeakPolarHBondContact CG-OD2 3.41Å; E548-D660 PolarHBondContact N-OD2 2.9Å; E548-D660 PolarHBondContact OE1-N 2.83Å
549	P	91.3	Very high	85.9	Confident	65 Å²	65	52.4 Å²	52.4	42%	0.422	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-23.6	176.2	-24.9	36.1	0	0	0	114.4	R546 I547	R546-P549 HydrophobicContact CB-CG 4.09Å; I547-P549 VanDerWaalsContact C-N 3.33Å
550	M	88.8	Confident	85.9	Confident	15 Å²	15	53.2 Å²	53.2	7%	0.074	30%	0.295	C	S	.	.	H	α-helix	trans	-82.1	-25.5	176.4	-56.9	-175.3	70.2	0	0	112.3	L513 L518 R520 I521 I547 E548	L513-M550 HydrophobicContact CB-CE 3.63Å; L513-M550 HydrophobicContact CB-SD 4.21Å; L513-M550 HydrophobicContact CD1-CE 4.45Å; L513-M550 HydrophobicContact CD1-SD 4.46Å; L518-M550 WeakPolarHBondContact O-CE 3.21Å; R520-M550 CarbonylContact C-O 3.4Å; R520-M550 VanDerWaalsContact CA-O 3.29Å; R520-M550 WeakPolarHBondContact CA-O 3.22Å; I521-M550 HydrophobicContact CD1-CB 4.25Å; I521-M550 HydrophobicContact CG1-CB 4.32Å; I521-M550 PolarHBondContact N-O 3.24Å; I547-M550 WeakPolarHBondContact O-CB 3.41Å; I547-M550 PolarHBondContact O-N 3.04Å; E548-M550 PolarHBondContact O-N 2.97Å; E548-M550 VanDerWaalsContact O-N 3.15Å
551	V	88.1	Confident	86.1	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-87.6	-43.9	-179.1	-171.9	0	0	0	0	111.3	I521 I547 E548 P553 V650 I659	I521-V551 HydrophobicContact CB-CG2 4.09Å; I521-V551 HydrophobicContact CD1-CG2 4.1Å; I521-V551 HydrophobicContact CG2-CG2 4.37Å; I547-V551 HydrophobicContact CG2-CG2 4.17Å; I547-V551 PolarHBondContact O-N 3.34Å; E548-V551 PolarHBondContact O-N 2.73Å; V551-P553 VanDerWaalsContact C-CD 3.42Å; V551-P553 WeakPolarHBondContact O-CD 3.47Å; V551-V650 VanDerWaalsContact CG1-O 3.23Å; V551-V650 WeakPolarHBondContact CG1-O 3.35Å; V551-I659 HydrophobicContact CG2-CD1 4.28Å
552	V	86.3	Confident	86.1	Confident	32 Å²	32	54 Å²	54	19%	0.194	30%	0.3	C	S	.	.	S	Bend	trans	-116.3	76	-179.3	-171.2	0	0	0	0	109.9	E548 G554 V555 F557 V650	E548-V552 PolarHBondContact O-N 3.21Å; V552-G554 PolarHBondContact O-N 3.5Å; V552-V555 HydrophobicContact CG1-CB 4.21Å; V552-V555 HydrophobicContact CG1-CG2 4.03Å; V552-F557 HydrophobicContact CB-CE1 4.48Å; V552-V650 HydrophobicContact CG2-CG1 4.03Å
553	P	74.6	Confident	86.1	Confident	56 Å²	56	55 Å²	55	36%	0.364	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	130.2	-178.6	27.8	-34.8	0	0	0	110.9	R520 V551	R520-P553 HydrophobicContact CG-CG 4.26Å; V551-P553 VanDerWaalsContact C-CD 3.42Å; V551-P553 WeakPolarHBondContact O-CD 3.47Å
554	G	73.3	Confident	85.9	Confident	85 Å²	85	55.9 Å²	55.9	88%	0.876	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.4	-2.2	174.7	0	0	0	0	0	115.5	V552	V552-G554 PolarHBondContact O-N 3.5Å
555	V	77.6	Confident	85.2	Confident	81 Å²	81	55.7 Å²	55.7	49%	0.491	31%	0.306	S	S	.	.			trans	-115.3	111.7	167.2	-170.3	0	0	0	0	107.7	V552 F557	V552-V555 HydrophobicContact CG1-CB 4.21Å; V552-V555 HydrophobicContact CG1-CG2 4.03Å; V555-F557 HydrophobicContact CB-CD1 4.21Å; V555-F557 HydrophobicContact CB-CE1 4.44Å; V555-F557 HydrophobicContact CG1-CD1 3.82Å; V555-F557 HydrophobicContact CG1-CE1 4.43Å; V555-F557 WeakPolarHBondContact O-CD1 3.4Å
556	E	75.6	Confident	84.4	Confident	203 Å²	203	58.8 Å²	58.8	95%	0.949	32%	0.321	S	S	*	.			trans	-88.6	117.8	170.6	-74.5	-172.5	170.1	0	0	109
557	F	81.4	Confident	82.6	Confident	22 Å²	22	57.9 Å²	57.9	10%	0.096	34%	0.335	C	S	.	.			trans	-135.3	149.8	172.9	54.2	-84.9	0	0	0	110.1	R546 E548 V552 V555 I648 V650 R658	R546-F557 PolarHBondContact NH1-O 2.86Å; R546-F557 VanDerWaalsContact NH1-O 3.1Å; R546-F557 PolarHBondContact NH2-O 3.17Å; E548-F557 HydrophobicContact CB-CE2 4.15Å; E548-F557 HydrophobicContact CB-CZ 3.9Å; E548-F557 HydrophobicContact CG-CE2 4.41Å; E548-F557 HydrophobicContact CG-CZ 4.5Å; E548-F557 WeakPolarHBondContact OE2-CE2 3.3Å; V552-F557 HydrophobicContact CB-CE1 4.48Å; V555-F557 HydrophobicContact CB-CD1 4.21Å; V555-F557 HydrophobicContact CB-CE1 4.44Å; V555-F557 HydrophobicContact CG1-CD1 3.82Å; V555-F557 HydrophobicContact CG1-CE1 4.43Å; V555-F557 WeakPolarHBondContact O-CD1 3.4Å; F557-I648 HydrophobicContact CB-CD1 3.69Å; F557-I648 HydrophobicContact CD1-CD1 4.18Å; F557-I648 HydrophobicContact CD1-CG2 4.22Å; F557-I648 HydrophobicContact CD2-CD1 3.68Å; F557-I648 HydrophobicContact CD2-CG2 4.4Å; F557-I648 HydrophobicContact CE1-CG2 3.88Å; F557-I648 HydrophobicContact CE2-CD1 4.3Å; F557-I648 HydrophobicContact CE2-CG2 4.04Å; F557-I648 HydrophobicContact CG-CD1 3.6Å; F557-I648 HydrophobicContact CG-CG2 4.48Å; F557-I648 HydrophobicContact CZ-CG2 3.77Å; F557-V650 HydrophobicContact CE2-CG2 4.16Å; F557-V650 HydrophobicContact CZ-CG1 4.15Å; F557-V650 HydrophobicContact CZ-CG2 3.95Å; F557-R658 VanDerWaalsContact CD2-NH2 3.32Å
558	E	85.7	Confident	80.6	Confident	154 Å²	154	67.2 Å²	67.2	72%	0.72	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-67.9	144.4	179.3	-67.9	-62.2	152.8	0	0	110.9	R658	E558-R658 PolarHBondContact O-NH1 3.11Å; E558-R658 PolarHBondContact O-NH2 3.04Å
559	P	88.9	Confident	78.5	Confident	20 Å²	20	71.1 Å²	71.1	13%	0.13	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-60.6	158.5	173.3	30.6	-37.9	0	0	0	111.5	Y537 L561 D660 V662	Y537-P559 WeakPolarHBondContact OH-CB 3.1Å; Y537-P559 VanDerWaalsContact OH-CG 3.22Å; Y537-P559 WeakPolarHBondContact OH-CG 3.43Å; P559-L561 PolarHBondContact O-N 2.67Å; P559-D660 HydrophobicContact CB-CB 4.05Å; P559-V662 HydrophobicContact CB-CB 4.2Å; P559-V662 HydrophobicContact CB-CG1 4.14Å; P559-V662 HydrophobicContact CG-CB 3.95Å; P559-V662 HydrophobicContact CG-CG1 3.71Å
560	M	88.9	Confident	76.6	Confident	68 Å²	68	70.7 Å²	70.7	34%	0.335	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	119.2	-179.8	-170.8	145.7	72.6	0	0	110.9	I562 R658 D660 Y661 V662	M560-I562 PolarHBondContact O-N 3.02Å; M560-R658 HydrophobicContact CE-CB 4.06Å; M560-R658 HydrophobicContact CE-CG 4.34Å; M560-R658 HydrophobicContact SD-CG 4.23Å; M560-D660 PolarHBondContact N-O 3.26Å; M560-Y661 HydrophobicContact CB-CD1 4.27Å; M560-Y661 HydrophobicContact CB-CG 4.42Å; M560-Y661 HydrophobicContact CE-CD1 3.86Å; M560-Y661 HydrophobicContact CE-CE1 3.02Å; M560-Y661 HydrophobicContact CE-CE2 3.97Å; M560-Y661 WeakPolarHBondContact CE-OH 3.37Å; M560-Y661 HydrophobicContact CG-CD1 4.42Å; M560-Y661 HydrophobicContact CG-CE1 4.43Å; M560-Y661 CarbonylContact O-C 3.59Å; M560-Y661 VanDerWaalsContact O-CA 3.25Å; M560-Y661 WeakPolarHBondContact O-CA 3.37Å; M560-V662 PolarHBondContact O-N 3.16Å
561	L	88.8	Confident	74.5	Confident	57 Å²	57	76.8 Å²	76.8	30%	0.298	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	124.8	176.7	-171.8	69.7	0	0	0	110.5	P559 K569 L573 V662 Q664	P559-L561 PolarHBondContact O-N 2.67Å; L561-K569 HydrophobicContact CD2-CD 4.49Å; L561-L573 HydrophobicContact CD1-CD2 4.32Å; L561-L573 HydrophobicContact CD2-CD2 3.62Å; L561-V662 HydrophobicContact CD1-CG1 3.96Å; L561-Q664 HydrophobicContact CD1-CG 3.77Å; L561-Q664 HydrophobicContact CD2-CG 4.35Å; L561-Q664 HydrophobicContact CG-CG 4.13Å
562	I	87.6	Confident	72.6	Confident	3 Å²	3	79.8 Å²	79.8	2%	0.015	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-72.3	123.3	172.9	-60.5	176.6	0	0	0	108.2	I536 M560 Y661 V662 L663 Q664 D689 L693	I536-I562 HydrophobicContact CG2-CD1 3.7Å; M560-I562 PolarHBondContact O-N 3.02Å; I562-Y661 HydrophobicContact CG1-CD1 4.12Å; I562-V662 WeakPolarHBondContact CG1-O 3.34Å; I562-V662 PolarHBondContact N-O 3.04Å; I562-L663 HydrophobicContact CB-CD2 4.38Å; I562-L663 HydrophobicContact CD1-CD2 3.69Å; I562-L663 HydrophobicContact CD1-CG 4.16Å; I562-L663 HydrophobicContact CG2-CD2 4.44Å; I562-Q664 PolarHBondContact O-NE2 3.45Å; I562-D689 HydrophobicContact CG2-CB 4.08Å; I562-L693 HydrophobicContact CD1-CD2 3.69Å; I562-L693 HydrophobicContact CG1-CD2 4Å
563	P	83.3	Confident	71	Confident	87 Å²	87	79.6 Å²	79.6	57%	0.565	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-66.2	152.2	176.2	29.2	-34.2	0	0	0	110.3
564	H	82.2	Confident	69.9	Low	35 Å²	35	81.6 Å²	81.6	16%	0.162	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-68.5	142.3	174.9	-168.3	-108.6	0	0	0	108.7	K566 G567 R568 R570 D689	H564-K566 PolarHBondContact ND1-N 3.48Å; H564-K566 PolarHBondContact O-N 3.39Å; H564-G567 PolarHBondContact O-N 3.32Å; H564-R568 WeakPolarHBondContact CB-O 3.45Å; H564-R570 HydrophobicContact CB-CG 4.45Å; H564-R570 PolarHBondContact CD2-NE 2.89Å; H564-D689 WeakPolarHBondContact CA-OD1 3.49Å; H564-D689 IonicContact CD2-OD1 2.77Å; H564-D689 IonicContact CD2-OD2 3.09Å; H564-D689 IonicContact CG-OD1 2.98Å
565	H	75.6	Confident	68.9	Low	16 Å²	16	82.5 Å²	82.5	7%	0.074	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-35.4	-179	66.6	-78.8	0	0	0	112.4	L248 H252 G567 E688 D689 L692	L248-H565 HydrophobicContact CD2-CB 4.36Å; H252-H565 PolarHBondContact CE1-O 3.02Å; H252-H565 PolarHBondContact NE2-O 3.44Å; H565-G567 PolarHBondContact O-N 2.82Å; H565-E688 HydrophobicContact CB-CB 4.17Å; H565-E688 IonicContact CD2-OE2 2.61Å; H565-E688 IonicContact CE1-OE2 3.67Å; H565-E688 PolarHBondContact CE1-OE2 3.39Å; H565-E688 IonicContact CG-OE2 3.83Å; H565-E688 IonicContact ND1-OE2 3.21Å; H565-E688 PolarHBondContact ND1-OE2 3.47Å; H565-E688 IonicContact NE2-OE2 3.29Å; H565-E688 PolarHBondContact NE2-OE2 3.08Å; H565-D689 IonicContact CG-OD1 3.87Å; H565-D689 PolarHBondContact N-OD1 3.37Å; H565-D689 IonicContact ND1-OD1 2.85Å; H565-D689 PolarHBondContact ND1-OD1 2.94Å; H565-L692 HydrophobicContact CB-CD2 3.81Å
566	K	76.1	Confident	67.8	Low	161 Å²	161	84.7 Å²	84.7	70%	0.7	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	9.5	175	-51.7	-168.9	178.8	179.2	0	116	H564 R568	H564-K566 PolarHBondContact ND1-N 3.48Å; H564-K566 PolarHBondContact O-N 3.39Å; K566-R568 PolarHBondContact O-N 3Å
567	G	55	Low	66.7	Low	54 Å²	54	78.8 Å²	78.8	56%	0.557	38%	0.379	S	S	*	.	S	Bend	trans	78.7	16.2	171.2	0	0	0	0	0	116.4	H564 H565	H564-G567 PolarHBondContact O-N 3.32Å; H565-G567 PolarHBondContact O-N 2.82Å
568	R	51.1	Low	65.4	Low	197 Å²	197	79 Å²	79	74%	0.743	39%	0.387	S	S	*	.	S	Bend	trans	-130.6	156.5	170.9	-63.1	-172.2	-167	179.8	3.5	110.7	H564 K566	H564-R568 WeakPolarHBondContact CB-O 3.45Å; K566-R568 PolarHBondContact O-N 3Å
569	K	48.1	Very low	63.8	Low	82 Å²	82	77.5 Å²	77.5	36%	0.357	38%	0.384	S	S	.	.			trans	-61.7	142.4	160.4	-69.9	-175.5	179.9	-173.2	0	107.3	L561 M571 E574 E577	L561-K569 HydrophobicContact CD2-CD 4.49Å; K569-M571 PolarHBondContact O-N 3.29Å; K569-E574 HydrophobicContact CB-CG 3.85Å; K569-E577 IonicContact NZ-OE1 3.8Å; K569-E577 PolarHBondContact NZ-OE1 2.95Å; K569-E577 IonicContact NZ-OE2 3.41Å; K569-E577 PolarHBondContact NZ-OE2 3.47Å
570	R	51.9	Low	62.2	Low	55 Å²	55	80.1 Å²	80.1	21%	0.208	40%	0.399	C	S	.	.			trans	-56.5	130.5	174.9	-75.1	-177.5	-176.8	154.3	14	107.7	H564 H572 L573 E574 Q664 E665 D689	H564-R570 HydrophobicContact CB-CG 4.45Å; H564-R570 PolarHBondContact CD2-NE 2.89Å; R570-H572 PolarHBondContact O-N 2.89Å; R570-L573 WeakPolarHBondContact O-CB 3.07Å; R570-L573 PolarHBondContact O-N 3.06Å; R570-E574 PolarHBondContact O-N 3.29Å; R570-Q664 PolarHBondContact NH1-O 2.84Å; R570-E665 PolarHBondContact NH1-O 3.4Å; R570-D689 IonicContact CZ-OD2 3.3Å; R570-D689 IonicContact NH2-OD2 3.9Å; R570-D689 PolarHBondContact NH2-OD2 3.13Å
571	M	45.4	Very low	60.6	Low	143 Å²	143	86 Å²	86	70%	0.704	42%	0.418	S	S	*	.	H	α-helix	trans	-45.2	-32.9	-175.1	-175.4	-153.5	-65.2	0	0	113.7	K569 E574 L575	K569-M571 PolarHBondContact O-N 3.29Å; M571-E574 PolarHBondContact O-N 3.41Å; M571-L575 HydrophobicContact CG-CD1 4.1Å; M571-L575 WeakPolarHBondContact O-CB 3.26Å; M571-L575 VanDerWaalsContact O-CG 3.31Å; M571-L575 WeakPolarHBondContact O-CG 3.17Å; M571-L575 PolarHBondContact O-N 2.87Å; M571-L575 HydrophobicContact SD-CD1 4.21Å
572	H	48.2	Very low	58.6	Low	64 Å²	64	88.8 Å²	88.8	30%	0.296	43%	0.431	S	S	.	.	H	α-helix	trans	-69.9	-32.8	177.7	-172.2	70.4	0	0	0	114	R570 L575 R576 P667	R570-H572 PolarHBondContact O-N 2.89Å; H572-L575 PolarHBondContact O-N 3.37Å; H572-R576 WeakPolarHBondContact O-CB 3.45Å; H572-R576 PolarHBondContact O-N 3.22Å; H572-P667 HydrophobicContact CB-CB 4.4Å; H572-P667 HydrophobicContact CB-CG 3.84Å
573	L	50.8	Low	56.7	Low	28 Å²	28	91.9 Å²	91.9	15%	0.147	45%	0.453	C	S	.	.	H	α-helix	trans	-69.1	-39.4	172.2	-120.1	93.6	0	0	0	110.8	L561 R570 L575 R576 E577	L561-L573 HydrophobicContact CD1-CD2 4.32Å; L561-L573 HydrophobicContact CD2-CD2 3.62Å; R570-L573 WeakPolarHBondContact O-CB 3.07Å; R570-L573 PolarHBondContact O-N 3.06Å; L573-L575 VanDerWaalsContact C-N 3.31Å; L573-R576 PolarHBondContact O-N 2.86Å; L573-E577 VanDerWaalsContact O-CB 3.31Å; L573-E577 WeakPolarHBondContact O-CB 3.41Å; L573-E577 WeakPolarHBondContact O-CG 3.42Å; L573-E577 PolarHBondContact O-N 3.25Å
574	E	52.5	Low	55.2	Low	98 Å²	98	93.9 Å²	93.9	46%	0.458	46%	0.456	S	S	.	.	H	α-helix	trans	-64.9	-36.6	172.7	-64.5	-178.6	167.8	0	0	111.5	K569 R570 M571 G578	K569-E574 HydrophobicContact CB-CG 3.85Å; R570-E574 PolarHBondContact O-N 3.29Å; M571-E574 PolarHBondContact O-N 3.41Å; E574-G578 WeakPolarHBondContact O-CA 3.24Å; E574-G578 PolarHBondContact O-N 3.27Å
575	L	52.3	Low	53.8	Low	104 Å²	104	96.7 Å²	96.7	55%	0.545	47%	0.472	S	S	.	.	H	α-helix	trans	-69.6	-36.2	173	-76.7	164	0	0	0	112.3	M571 H572 L573 G578 L579	M571-L575 HydrophobicContact CG-CD1 4.1Å; M571-L575 WeakPolarHBondContact O-CB 3.26Å; M571-L575 VanDerWaalsContact O-CG 3.31Å; M571-L575 WeakPolarHBondContact O-CG 3.17Å; M571-L575 PolarHBondContact O-N 2.87Å; M571-L575 HydrophobicContact SD-CD1 4.21Å; H572-L575 PolarHBondContact O-N 3.37Å; L573-L575 VanDerWaalsContact C-N 3.31Å; L575-G578 CarbonylContact O-C 3.59Å; L575-G578 PolarHBondContact O-N 3.36Å; L575-L579 VanDerWaalsContact O-CB 3.22Å; L575-L579 WeakPolarHBondContact O-CB 3.48Å; L575-L579 PolarHBondContact O-N 2.94Å
576	R	53.6	Low	52.7	Low	127 Å²	127	100.3 Å²	100.3	48%	0.479	49%	0.492	S	S	.	.	H	α-helix	trans	-75.6	-38.6	176.9	-173.4	177.1	169.2	178.9	-4.2	111.9	H572 L573 G578 L579 T580 E665	H572-R576 WeakPolarHBondContact O-CB 3.45Å; H572-R576 PolarHBondContact O-N 3.22Å; L573-R576 PolarHBondContact O-N 2.86Å; R576-G578 VanDerWaalsContact C-N 3.32Å; R576-L579 PolarHBondContact O-N 3.15Å; R576-T580 WeakPolarHBondContact O-CB 3.49Å; R576-T580 WeakPolarHBondContact O-CG2 3.3Å; R576-T580 PolarHBondContact O-N 3.4Å; R576-T580 PolarHBondContact O-OG1 3.11Å; R576-E665 IonicContact NH1-OE2 3.23Å; R576-E665 PolarHBondContact NH1-OE2 3.14Å; R576-E665 VanDerWaalsContact NH1-OE2 3.16Å
577	E	54	Low	51.4	Low	80 Å²	80	99.3 Å²	99.3	37%	0.374	49%	0.487	S	S	.	.	H	α-helix	trans	-63.6	-39.6	167.8	-74.9	178	-172.8	0	0	110.5	K569 L573 T580 R581	K569-E577 IonicContact NZ-OE1 3.8Å; K569-E577 PolarHBondContact NZ-OE1 2.95Å; K569-E577 IonicContact NZ-OE2 3.41Å; K569-E577 PolarHBondContact NZ-OE2 3.47Å; L573-E577 VanDerWaalsContact O-CB 3.31Å; L573-E577 WeakPolarHBondContact O-CB 3.41Å; L573-E577 WeakPolarHBondContact O-CG 3.42Å; L573-E577 PolarHBondContact O-N 3.25Å; E577-T580 VanDerWaalsContact CA-OG1 3.24Å; E577-T580 WeakPolarHBondContact CA-OG1 3.4Å; E577-T580 PolarHBondContact O-OG1 3.43Å; E577-T580 VanDerWaalsContact O-OG1 3.08Å; E577-R581 WeakPolarHBondContact O-CB 3.48Å; E577-R581 WeakPolarHBondContact O-CG 3.26Å; E577-R581 PolarHBondContact O-N 3.32Å
578	G	54.3	Low	51.4	Low	26 Å²	26	102 Å²	102	27%	0.268	49%	0.489	S	S	.	.	H	α-helix	trans	-62.9	-44.1	170.6	0	0	0	0	0	112.1	E574 L575 R576 M582	E574-G578 WeakPolarHBondContact O-CA 3.24Å; E574-G578 PolarHBondContact O-N 3.27Å; L575-G578 CarbonylContact O-C 3.59Å; L575-G578 PolarHBondContact O-N 3.36Å; R576-G578 VanDerWaalsContact C-N 3.32Å; G578-M582 WeakPolarHBondContact O-CB 3.06Å; G578-M582 WeakPolarHBondContact O-CG 3.27Å; G578-M582 PolarHBondContact O-N 2.91Å
579	L	51.6	Low	51.4	Low	122 Å²	122	98.4 Å²	98.4	64%	0.639	49%	0.485	S	S	*	.	H	α-helix	trans	-71.4	-32.5	179.6	-148.5	86.4	0	0	0	111.8	L575 R576 S583	L575-L579 VanDerWaalsContact O-CB 3.22Å; L575-L579 WeakPolarHBondContact O-CB 3.48Å; L575-L579 PolarHBondContact O-N 2.94Å; R576-L579 PolarHBondContact O-N 3.15Å; L579-S583 WeakPolarHBondContact O-CA 3.42Å; L579-S583 WeakPolarHBondContact O-CB 3.4Å; L579-S583 PolarHBondContact O-N 3.07Å
580	T	54.2	Low	51.5	Low	75 Å²	75	98.5 Å²	98.5	46%	0.46	49%	0.488	S	S	.	.	H	α-helix	trans	-77.1	-39.2	176.1	45.4	0	0	0	0	111.5	R576 E577 S583 M584	R576-T580 WeakPolarHBondContact O-CB 3.49Å; R576-T580 WeakPolarHBondContact O-CG2 3.3Å; R576-T580 PolarHBondContact O-N 3.4Å; R576-T580 PolarHBondContact O-OG1 3.11Å; E577-T580 VanDerWaalsContact CA-OG1 3.24Å; E577-T580 WeakPolarHBondContact CA-OG1 3.4Å; E577-T580 PolarHBondContact O-OG1 3.43Å; E577-T580 VanDerWaalsContact O-OG1 3.08Å; T580-S583 PolarHBondContact O-N 3.41Å; T580-M584 PolarHBondContact O-N 3.47Å
581	R	55.3	Low	51.5	Low	191 Å²	191	101 Å²	101	72%	0.721	51%	0.505	S	S	*	.	H	α-helix	trans	-62.7	-46.8	167.3	-78.4	177.3	80.2	163.9	4	111.6	E577 S583 M584 D585	E577-R581 WeakPolarHBondContact O-CB 3.48Å; E577-R581 WeakPolarHBondContact O-CG 3.26Å; E577-R581 PolarHBondContact O-N 3.32Å; R581-S583 VanDerWaalsContact C-N 3.3Å; R581-S583 PolarHBondContact O-N 3.11Å; R581-M584 PolarHBondContact O-N 3.37Å; R581-D585 PolarHBondContact O-N 2.82Å
582	M	48	Very low	51.5	Low	116 Å²	116	96.3 Å²	96.3	57%	0.571	49%	0.494	S	S	*	.	H	α-helix	trans	-66.5	-30.4	175.9	-71.8	173.2	74	0	0	112.3	G578 D585 L586	G578-M582 WeakPolarHBondContact O-CB 3.06Å; G578-M582 WeakPolarHBondContact O-CG 3.27Å; G578-M582 PolarHBondContact O-N 2.91Å; M582-D585 PolarHBondContact O-N 3.28Å; M582-L586 WeakPolarHBondContact O-CB 3.23Å; M582-L586 PolarHBondContact O-N 3.19Å
583	S	46.9	Very low	51.5	Low	69 Å²	69	96.5 Å²	96.5	48%	0.483	50%	0.502	S	S	.	.	H	α-helix	trans	-72.6	-38.4	175	174.9	0	0	0	0	111.5	L579 T580 R581 K587	L579-S583 WeakPolarHBondContact O-CA 3.42Å; L579-S583 WeakPolarHBondContact O-CB 3.4Å; L579-S583 PolarHBondContact O-N 3.07Å; T580-S583 PolarHBondContact O-N 3.41Å; R581-S583 VanDerWaalsContact C-N 3.3Å; R581-S583 PolarHBondContact O-N 3.11Å; S583-K587 WeakPolarHBondContact O-CB 3.29Å; S583-K587 PolarHBondContact O-N 2.81Å
584	M	52.5	Low	51.3	Low	128 Å²	128	99.7 Å²	99.7	63%	0.631	52%	0.519	S	S	*	.	H	α-helix	trans	-63.9	-41.8	169.7	-79.1	171.1	65.5	0	0	111.3	T580 R581 K587 N588	T580-M584 PolarHBondContact O-N 3.47Å; R581-M584 PolarHBondContact O-N 3.37Å; M584-K587 PolarHBondContact O-N 3.04Å; M584-N588 WeakPolarHBondContact O-CB 3.47Å; M584-N588 PolarHBondContact O-N 2.89Å; M584-N588 PolarHBondContact O-ND2 2.89Å
585	D	51.9	Low	51.2	Low	94 Å²	94	104.2 Å²	104.2	50%	0.503	53%	0.532	S	S	.	.	H	α-helix	trans	-70.5	-37.1	176.4	-70.5	-24.8	0	0	0	112.8	R581 M582 N589	R581-D585 PolarHBondContact O-N 2.82Å; M582-D585 PolarHBondContact O-N 3.28Å; D585-N589 WeakPolarHBondContact O-CB 3.33Å; D585-N589 PolarHBondContact O-N 3.19Å; D585-N589 PolarHBondContact O-ND2 2.92Å; D585-N589 VanDerWaalsContact O-ND2 3.15Å
586	L	52.6	Low	51.2	Low	92 Å²	92	106.3 Å²	106.3	48%	0.482	54%	0.54	S	S	.	.	H	α-helix	trans	-68.2	-39.7	173	-104.8	142.9	0	0	0	111.6	M582 N588 N589 L590	M582-L586 WeakPolarHBondContact O-CB 3.23Å; M582-L586 PolarHBondContact O-N 3.19Å; L586-N588 VanDerWaalsContact C-N 3.34Å; L586-N589 PolarHBondContact O-N 3.28Å; L586-L590 HydrophobicContact CB-CD1 4.41Å; L586-L590 HydrophobicContact CD2-CD1 3.29Å; L586-L590 HydrophobicContact CD2-CG 3.8Å; L586-L590 HydrophobicContact CG-CD1 4.46Å; L586-L590 WeakPolarHBondContact O-CB 3.32Å; L586-L590 VanDerWaalsContact O-CG 3.29Å; L586-L590 WeakPolarHBondContact O-CG 3.39Å; L586-L590 PolarHBondContact O-N 3.49Å
587	K	48.7	Very low	50.9	Low	141 Å²	141	102.4 Å²	102.4	61%	0.613	54%	0.536	S	S	*	.	H	α-helix	trans	-66.3	-39.7	177.4	-168.4	174.1	-179.5	-176.3	0	110.4	S583 M584 L591	S583-K587 WeakPolarHBondContact O-CB 3.29Å; S583-K587 PolarHBondContact O-N 2.81Å; M584-K587 PolarHBondContact O-N 3.04Å; K587-L591 HydrophobicContact CG-CD1 3.75Å; K587-L591 VanDerWaalsContact O-CB 3.24Å; K587-L591 WeakPolarHBondContact O-CB 3.19Å; K587-L591 VanDerWaalsContact O-CD1 3.26Å; K587-L591 WeakPolarHBondContact O-CD1 3.36Å; K587-L591 WeakPolarHBondContact O-CG 3.4Å; K587-L591 PolarHBondContact O-N 2.7Å
588	N	54.7	Low	50.2	Low	110 Å²	110	108.1 Å²	108.1	59%	0.588	55%	0.554	S	S	*	*	H	α-helix	trans	-69.7	-37.5	175.2	-68.9	-20.8	0	0	0	112.5	M584 L586	M584-N588 WeakPolarHBondContact O-CB 3.47Å; M584-N588 PolarHBondContact O-N 2.89Å; M584-N588 PolarHBondContact O-ND2 2.89Å; L586-N588 VanDerWaalsContact C-N 3.34Å
589	N	52.4	Low	49.8	Very low	122 Å²	122	114.7 Å²	114.7	65%	0.652	58%	0.575	S	S	*	*	H	α-helix	trans	-84.4	-29	-178.8	-69.6	-26.3	0	0	0	114.4	D585 L586	D585-N589 WeakPolarHBondContact O-CB 3.33Å; D585-N589 PolarHBondContact O-N 3.19Å; D585-N589 PolarHBondContact O-ND2 2.92Å; D585-N589 VanDerWaalsContact O-ND2 3.15Å; L586-N589 PolarHBondContact O-N 3.28Å
590	L	48.6	Very low	49.5	Very low	83 Å²	83	113.5 Å²	113.5	44%	0.435	58%	0.577	S	S	.	*	H	α-helix	trans	-82.7	-35.1	177.5	-74.8	171.3	0	0	0	113.1	L586 G592 S593 L594	L586-L590 HydrophobicContact CB-CD1 4.41Å; L586-L590 HydrophobicContact CD2-CD1 3.29Å; L586-L590 HydrophobicContact CD2-CG 3.8Å; L586-L590 HydrophobicContact CG-CD1 4.46Å; L586-L590 WeakPolarHBondContact O-CB 3.32Å; L586-L590 VanDerWaalsContact O-CG 3.29Å; L586-L590 WeakPolarHBondContact O-CG 3.39Å; L586-L590 PolarHBondContact O-N 3.49Å; L590-G592 PolarHBondContact O-N 3.13Å; L590-S593 PolarHBondContact O-N 3.24Å; L590-L594 WeakPolarHBondContact O-CB 3.25Å; L590-L594 PolarHBondContact O-N 3.02Å
591	L	52.8	Low	48.8	Very low	108 Å²	108	118.5 Å²	118.5	57%	0.565	59%	0.593	S	S	*	*	H	α-helix	trans	-65.9	-27.1	176.3	-74.7	168.8	0	0	0	111.7	K587 R595	K587-L591 HydrophobicContact CG-CD1 3.75Å; K587-L591 VanDerWaalsContact O-CB 3.24Å; K587-L591 WeakPolarHBondContact O-CB 3.19Å; K587-L591 VanDerWaalsContact O-CD1 3.26Å; K587-L591 WeakPolarHBondContact O-CD1 3.36Å; K587-L591 WeakPolarHBondContact O-CG 3.4Å; K587-L591 PolarHBondContact O-N 2.7Å; L591-R595 WeakPolarHBondContact O-CB 3.43Å
592	G	45.1	Very low	48	Very low	45 Å²	45	115.1 Å²	115.1	46%	0.464	59%	0.594	S	S	.	*	H	α-helix	trans	-73.6	-39.9	171.5	0	0	0	0	0	113.9	L590	L590-G592 PolarHBondContact O-N 3.13Å
593	S	49.2	Very low	47.7	Very low	67 Å²	67	121 Å²	121	47%	0.469	61%	0.61	S	S	.	*	H	α-helix	trans	-80.1	-34.5	-175.6	87.8	0	0	0	0	113.4	L590 R595 M596 A597	L590-S593 PolarHBondContact O-N 3.24Å; S593-R595 VanDerWaalsContact C-N 3.35Å; S593-R595 PolarHBondContact O-N 3.13Å; S593-M596 PolarHBondContact O-N 3.43Å; S593-A597 PolarHBondContact O-N 3.19Å
594	L	45.4	Very low	47.1	Very low	95 Å²	95	121.9 Å²	121.9	50%	0.497	62%	0.621	S	S	.	*	H	α-helix	trans	-70.5	-30.1	177.3	-77.6	160.2	0	0	0	112.7	L590 M596 A597 W598	L590-L594 WeakPolarHBondContact O-CB 3.25Å; L590-L594 PolarHBondContact O-N 3.02Å; L594-M596 VanDerWaalsContact C-N 3.31Å; L594-M596 PolarHBondContact O-N 3.42Å; L594-A597 PolarHBondContact O-N 3.46Å; L594-W598 PolarHBondContact O-N 3.42Å; L594-W598 VanDerWaalsContact O-N 3.1Å
595	R	51	Low	46.2	Very low	194 Å²	194	121.6 Å²	121.6	73%	0.732	63%	0.628	S	S	*	*	H	α-helix	trans	-69.9	-27.8	177	-146.1	175.5	-154.4	175.6	6.1	112.9	L591 S593	L591-R595 WeakPolarHBondContact O-CB 3.43Å; S593-R595 VanDerWaalsContact C-N 3.35Å; S593-R595 PolarHBondContact O-N 3.13Å
596	M	51.8	Low	45.3	Very low	147 Å²	147	128.1 Å²	128.1	72%	0.724	65%	0.648	S	S	*	*	H	α-helix	trans	-81.7	-35	175.2	-69	-67.8	-90.7	0	0	111.9	S593 L594	S593-M596 PolarHBondContact O-N 3.43Å; L594-M596 VanDerWaalsContact C-N 3.31Å; L594-M596 PolarHBondContact O-N 3.42Å
597	A	47.3	Very low	44.4	Very low	46 Å²	46	129.9 Å²	129.9	38%	0.38	66%	0.664	S	S	.	*	H	α-helix	trans	-67.6	-37.9	175	0	0	0	0	0	112.9	S593 L594 K599 S600	S593-A597 PolarHBondContact O-N 3.19Å; L594-A597 PolarHBondContact O-N 3.46Å; A597-K599 VanDerWaalsContact C-N 3.34Å; A597-K599 PolarHBondContact O-N 3.1Å; A597-S600 PolarHBondContact O-N 3.19Å
598	W	39.5	Very low	43.4	Very low	199 Å²	199	127.3 Å²	127.3	75%	0.754	67%	0.669	S	S	*	*	H	α-helix	trans	-69.5	-24.4	178.4	-86	3.6	0	0	0	114.9	L594 S600 T602	L594-W598 PolarHBondContact O-N 3.42Å; L594-W598 VanDerWaalsContact O-N 3.1Å; W598-S600 VanDerWaalsContact C-N 3.3Å; W598-T602 PolarHBondContact O-OG1 3.05Å
599	K	45.4	Very low	42.1	Very low	164 Å²	164	129.4 Å²	129.4	71%	0.713	68%	0.68	S	S	*	*	H	α-helix	trans	-76.1	-17.3	172.8	-73.1	-174.7	177.4	-177.4	0	113.4	A597	A597-K599 VanDerWaalsContact C-N 3.34Å; A597-K599 PolarHBondContact O-N 3.1Å
600	S	46.4	Very low	41	Very low	98 Å²	98	131.2 Å²	131.2	69%	0.685	68%	0.684	S	S	*	*	H	α-helix	trans	-89.6	-16.7	176.4	-164.2	0	0	0	0	113.3	A597 W598	A597-S600 PolarHBondContact O-N 3.19Å; W598-S600 VanDerWaalsContact C-N 3.3Å
601	F	38.2	Very low	39.8	Very low	180 Å²	180	133.5 Å²	133.5	79%	0.789	70%	0.701	S	S	*	*	H	α-helix	trans	-95.4	-9.9	-177.4	-98.9	-86.3	0	0	0	114.7
602	T	39.5	Very low	38.6	Very low	120 Å²	120	132.8 Å²	132.8	74%	0.736	71%	0.705	S	S	*	*	S	Bend	trans	-98.2	13.6	-177.2	43.6	0	0	0	0	114.5	W598	W598-T602 PolarHBondContact O-OG1 3.05Å
603	R	41.6	Very low	37.7	Very low	240 Å²	240	139.6 Å²	139.6	91%	0.906	73%	0.725	S	S	*	*			trans	-106.9	90.7	167.4	-163	166	-169.6	145.5	1.7	109.9
604	A	34.7	Very low	36.6	Very low	87 Å²	87	141.4 Å²	141.4	72%	0.719	74%	0.744	S	S	*	*			trans	-117.7	147.5	169.2	0	0	0	0	0	111.1
605	P	33.8	Very low	35.9	Very low	121 Å²	121	141 Å²	141	79%	0.786	75%	0.754	S	S	*	*			trans	-87.7	155.3	-173.5	11	8.9	0	0	0	112.6
606	Y	33.1	Very low	34.8	Very low	232 Å²	232	140.5 Å²	140.5	91%	0.91	76%	0.76	S	S	*	*			trans	-54.1	146.6	173	-70	-90.1	0	0	0	113.8
607	P	32.2	Very low	33.7	Very low	128 Å²	128	141.8 Å²	141.8	83%	0.831	77%	0.765	S	S	*	*				-137.8	163.9	119.3	29.7	-12.2	0	0	0	114.2
608	A	29.4	Very low	32.8	Very low	87 Å²	87	145.7 Å²	145.7	72%	0.719	78%	0.784	S	S	*	*			trans	-92.9	168.3	-167.6	0	0	0	0	0	114.9
609	L	27	Very low	32.2	Very low	154 Å²	154	144.7 Å²	144.7	81%	0.806	79%	0.788	S	S	*	*			trans	81.8	133.3	162.6	-54	170.2	0	0	0	115.5
610	Q	27.8	Very low	31.3	Very low	160 Å²	160	142 Å²	142	75%	0.748	80%	0.796	S	S	*	*			cis	-166.7	145.2	9.6	-108.7	169.7	2.2	0	0	109
611	V	24.9	Very low	30.3	Very low	131 Å²	131	145.4 Å²	145.4	79%	0.794	80%	0.801	S	S	*	*			trans	45.1	129.7	133.2	-172.4	0	0	0	0	118.3
612	S	26.6	Very low	30.1	Very low	93 Å²	93	141.9 Å²	141.9	65%	0.65	80%	0.796	S	S	*	*			cis	-171.2	153	28	32	0	0	0	0	112.3
613	E	26.6	Very low	29.4	Very low	189 Å²	189	145.5 Å²	145.5	88%	0.883	81%	0.805	S	S	*	*			trans	62.5	110.2	143	-70.9	176.7	163.2	0	0	122
614	A	27.2	Very low	28.8	Very low	104 Å²	104	139 Å²	139	86%	0.86	80%	0.796	S	S	*	*				179.7	137.9	86.8	0	0	0	0	0	112.5
615	A	28.9	Very low	28.2	Very low	87 Å²	87	141.6 Å²	141.6	72%	0.719	80%	0.803	S	S	*	*			trans	-29.7	128.6	177.3	0	0	0	0	0	118.4
616	E	29.1	Very low	27.9	Very low	183 Å²	183	140.9 Å²	140.9	86%	0.855	80%	0.801	S	S	*	*				73.6	133.1	89.9	-76.5	-178.9	158.3	0	0	113.1
617	E	27.8	Very low	27.5	Very low	174 Å²	174	139.1 Å²	139.1	81%	0.813	80%	0.801	S	S	*	*			cis	-154.8	135.2	49.8	-73.4	177.8	163.5	0	0	113.9
618	T	29.1	Very low	27.3	Very low	128 Å²	128	142.8 Å²	142.8	79%	0.785	80%	0.804	S	S	*	*			trans	29	127.2	139.6	20.3	0	0	0	0	122.1
619	E	26.8	Very low	27.3	Very low	178 Å²	178	144.7 Å²	144.7	83%	0.832	81%	0.809	S	S	*	*			cis	72.6	128.2	46.1	-87.5	-163.4	-169.5	0	0	118.1
620	A	25.7	Very low	27.2	Very low	107 Å²	107	143.1 Å²	143.1	88%	0.884	81%	0.811	S	S	*	*			trans	-156	116.4	142.7	0	0	0	0	0	110.8
621	E	26.9	Very low	27.2	Very low	171 Å²	171	143.3 Å²	143.3	80%	0.799	82%	0.817	S	S	*	*			trans	-96.4	169.8	170.7	-90.5	-84.3	139.7	0	0	111.4
622	P	34.3	Very low	27.2	Very low	105 Å²	105	144.1 Å²	144.1	68%	0.682	82%	0.822	S	S	*	*			trans	-97.6	166	179.9	35	-22.3	0	0	0	114.2
623	E	24.8	Very low	27.2	Very low	197 Å²	197	147 Å²	147	92%	0.921	83%	0.83	S	S	*	*			trans	-105.6	150.6	172.9	-91.8	-167.7	163.7	0	0	114.2
624	S	27.6	Very low	27.9	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	82%	0.821	S	S	*	*			trans	-95.7	168.7	-174.9	59.1	0	0	0	0	115.2
625	T	23.4	Very low	27.8	Very low	141 Å²	141	147.4 Å²	147.4	87%	0.865	82%	0.823	S	S	*	*			trans	-169	105	145.8	18.1	0	0	0	0	108.2
626	S	26.1	Very low	27.7	Very low	105 Å²	105	152.1 Å²	152.1	73%	0.734	83%	0.83	S	S	*	*				59.9	114	85	-178.8	0	0	0	0	116.5
627	E	25.4	Very low	28	Very low	196 Å²	196	150.2 Å²	150.2	92%	0.916	83%	0.832	S	S	*	*				-175	164.9	112.2	-97.9	-177.1	-170.9	0	0	114.4
628	K	27	Very low	28	Very low	205 Å²	205	147.4 Å²	147.4	89%	0.891	83%	0.831	S	S	*	*			trans	-91.8	170	-153.8	-96.7	177.9	177	175.6	0	116.7
629	P	31.3	Very low	27.9	Very low	126 Å²	126	147.3 Å²	147.3	82%	0.818	83%	0.83	S	S	*	*			trans	-100.7	165.5	-173.1	39.7	-32.3	0	0	0	114.8
630	S	23.5	Very low	28	Very low	122 Å²	122	143.4 Å²	143.4	85%	0.853	83%	0.829	S	S	*	*			trans	-131.2	129.9	169.4	58.2	0	0	0	0	111.8
631	D	27.3	Very low	28.1	Very low	163 Å²	163	144.4 Å²	144.4	87%	0.872	82%	0.823	S	S	*	*			trans	-76.5	143.4	177.6	-74.3	-49.3	0	0	0	114
632	V	25.8	Very low	28.4	Very low	149 Å²	149	145.3 Å²	145.3	90%	0.903	83%	0.825	S	S	*	*			trans	-153.8	144	138.6	-167.9	0	0	0	0	111.4
633	N	27.4	Very low	28.3	Very low	154 Å²	154	148.9 Å²	148.9	82%	0.824	83%	0.832	S	S	*	*			trans	-34.6	163.8	-173.9	-95.5	-16.4	0	0	0	124.1
634	P	40.1	Very low	28.8	Very low	106 Å²	106	148.1 Å²	148.1	69%	0.688	83%	0.828	S	S	*	*			trans	-98.2	133.5	-178.2	37	-26.2	0	0	0	112.8
635	E	26.5	Very low	29.8	Very low	194 Å²	194	149.2 Å²	149.2	91%	0.907	83%	0.83	S	S	*	*			trans	-170.1	157.8	144.2	-112.7	172.1	-167.5	0	0	111.7
636	E	26.4	Very low	31.2	Very low	186 Å²	186	149.5 Å²	149.5	87%	0.869	83%	0.826	S	S	*	*			trans	97.9	112.6	171	-59	-166.6	164.7	0	0	119.6
637	T	35.4	Very low	32.9	Very low	144 Å²	144	150.4 Å²	150.4	88%	0.883	83%	0.83	S	S	*	*			trans	-59.3	119.2	177.1	-35.8	0	0	0	0	110.9
638	S	26.2	Very low	35.3	Very low	114 Å²	114	143.8 Å²	143.8	80%	0.797	80%	0.8	S	S	*	*			trans	-112	117.2	160.3	52.6	0	0	0	0	109.5	A640	S638-A640 PolarHBondContact O-N 3.32Å
639	V	28	Very low	37.9	Very low	126 Å²	126	139.1 Å²	139.1	76%	0.764	79%	0.785	S	S	*	*			trans	-50.9	128.3	172.8	175	0	0	0	0	108.8	V641	V639-V641 PolarHBondContact O-N 2.82Å
640	A	29.3	Very low	40.3	Very low	97 Å²	97	133.1 Å²	133.1	80%	0.802	75%	0.746	S	S	*	*			trans	-56.3	102.9	171.7	0	0	0	0	0	109.5	S638 K642	S638-A640 PolarHBondContact O-N 3.32Å; A640-K642 PolarHBondContact O-N 2.93Å; A640-K642 VanDerWaalsContact O-N 3.16Å
641	V	28	Very low	43.3	Very low	128 Å²	128	127.6 Å²	127.6	78%	0.776	71%	0.708	S	S	*	*			trans	-63.3	113.8	165.3	178.1	0	0	0	0	105.7	V639 E643	V639-V641 PolarHBondContact O-N 2.82Å; V641-E643 PolarHBondContact O-N 3.43Å
642	K	31.9	Very low	46.2	Very low	190 Å²	190	122 Å²	122	83%	0.826	68%	0.677	S	S	*	*			trans	-56.2	108.5	157.9	-89.7	178.2	171.6	178.5	0	105.6	A640 E644	A640-K642 PolarHBondContact O-N 2.93Å; A640-K642 VanDerWaalsContact O-N 3.16Å; K642-E644 VanDerWaalsContact C-N 3.32Å; K642-E644 PolarHBondContact O-N 3.06Å
643	E	32.2	Very low	49.2	Very low	180 Å²	180	115 Å²	115	84%	0.841	64%	0.635	S	S	*	*			trans	-55.9	103.3	160.4	-93.9	177.7	149.2	0	0	106.9	V641 V645	V641-E643 PolarHBondContact O-N 3.43Å; E643-V645 PolarHBondContact O-N 3.15Å
644	E	36	Very low	52.2	Low	180 Å²	180	107.9 Å²	107.9	84%	0.841	60%	0.596	S	S	*	*			trans	-64.2	104.9	161.7	-74.8	-173	162.5	0	0	106.3	K642 L646	K642-E644 VanDerWaalsContact C-N 3.32Å; K642-E644 PolarHBondContact O-N 3.06Å; E644-L646 PolarHBondContact O-N 3.33Å
645	V	49.6	Very low	54.4	Low	127 Å²	127	105 Å²	105	77%	0.77	59%	0.587	S	S	*	*			trans	-53.9	114.6	173.7	-179.2	0	0	0	0	107.3	E643	E643-V645 PolarHBondContact O-N 3.15Å
646	L	51.1	Low	57.2	Low	148 Å²	148	96.7 Å²	96.7	78%	0.775	55%	0.552	S	S	*	*			trans	-53.2	135.2	177.9	-73.6	166.3	0	0	0	109.5	E644 I648	E644-L646 PolarHBondContact O-N 3.33Å; L646-I648 PolarHBondContact O-N 3.28Å
647	P	63.2	Low	60.3	Low	124 Å²	124	92.5 Å²	92.5	81%	0.805	53%	0.533	S	S	*	.			trans	-61.3	115.6	179.9	22.5	-30.7	0	0	0	109.7	N649	P647-N649 PolarHBondContact O-N 3.3Å
648	I	74.9	Confident	62.9	Low	56 Å²	56	87.6 Å²	87.6	29%	0.287	50%	0.498	S	S	.	.			trans	-73.7	113.2	177.4	-54.3	177.3	0	0	0	107.7	F557 L646 V650	F557-I648 HydrophobicContact CB-CD1 3.69Å; F557-I648 HydrophobicContact CD1-CD1 4.18Å; F557-I648 HydrophobicContact CD1-CG2 4.22Å; F557-I648 HydrophobicContact CD2-CD1 3.68Å; F557-I648 HydrophobicContact CD2-CG2 4.4Å; F557-I648 HydrophobicContact CE1-CG2 3.88Å; F557-I648 HydrophobicContact CE2-CD1 4.3Å; F557-I648 HydrophobicContact CE2-CG2 4.04Å; F557-I648 HydrophobicContact CG-CD1 3.6Å; F557-I648 HydrophobicContact CG-CG2 4.48Å; F557-I648 HydrophobicContact CZ-CG2 3.77Å; L646-I648 PolarHBondContact O-N 3.28Å; I648-V650 HydrophobicContact CG2-CG2 4.01Å; I648-V650 PolarHBondContact O-N 3.38Å
649	N	81.3	Confident	66.2	Low	108 Å²	108	82.1 Å²	82.1	58%	0.578	46%	0.46	S	S	*	.			trans	-82.6	111.1	172.2	-175.7	-25.5	0	0	0	109.1	P647 G651 G656	P647-N649 PolarHBondContact O-N 3.3Å; N649-G651 VanDerWaalsContact C-N 3.26Å; N649-G651 PolarHBondContact O-N 3.48Å; N649-G651 PolarHBondContact OD1-N 2.88Å; N649-G656 WeakPolarHBondContact OD1-CA 3.39Å
650	V	83	Confident	69.4	Low	0 Å²	0	76.1 Å²	76.1	0%	0	42%	0.424	C	S	.	.			trans	-94.8	30.5	-175.6	-158.8	0	0	0	0	112.3	E548 V551 V552 F557 I648 G656 I659	E548-V650 HydrophobicContact CB-CG1 3.86Å; E548-V650 HydrophobicContact CG-CG1 3.75Å; V551-V650 VanDerWaalsContact CG1-O 3.23Å; V551-V650 WeakPolarHBondContact CG1-O 3.35Å; V552-V650 HydrophobicContact CG2-CG1 4.03Å; F557-V650 HydrophobicContact CE2-CG2 4.16Å; F557-V650 HydrophobicContact CZ-CG1 4.15Å; F557-V650 HydrophobicContact CZ-CG2 3.95Å; I648-V650 HydrophobicContact CG2-CG2 4.01Å; I648-V650 PolarHBondContact O-N 3.38Å; V650-G656 PolarHBondContact N-O 3.41Å; V650-I659 HydrophobicContact CG1-CD1 4.05Å
651	G	85.7	Confident	72.5	Confident	6 Å²	6	72 Å²	72	6%	0.062	39%	0.387	C	S	.	.			trans	73.2	-174.2	-177.6	0	0	0	0	0	112.8	P523 N649 G656	P523-G651 CarbonylContact O-C 3.53Å; P523-G651 WeakPolarHBondContact O-CA 3.46Å; N649-G651 VanDerWaalsContact C-N 3.26Å; N649-G651 PolarHBondContact O-N 3.48Å; N649-G651 PolarHBondContact OD1-N 2.88Å; G651-G656 WeakPolarHBondContact O-CA 3.43Å; G651-G656 PolarHBondContact O-N 3.15Å
652	M	89.3	Confident	75.6	Confident	45 Å²	45	66.7 Å²	66.7	22%	0.222	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-90.5	-6.6	-163.8	-62.5	-62.6	-15.4	0	0	114.4	P523 Y525 R526 N654 G655	P523-M652 WeakPolarHBondContact O-CB 3.37Å; P523-M652 WeakPolarHBondContact O-CG 3.34Å; P523-M652 PolarHBondContact O-N 3.15Å; Y525-M652 CarbonylContact O-C 3.55Å; R526-M652 HydrophobicContact CG-CB 3.53Å; R526-M652 VanDerWaalsContact CZ-CE 3.41Å; R526-M652 PolarHBondContact NH2-SD 3.19Å; M652-N654 PolarHBondContact O-N 3.22Å; M652-G655 PolarHBondContact O-N 3.41Å
653	L	87.5	Confident	78.3	Confident	3 Å²	3	58 Å²	58	2%	0.016	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-58	-33.1	-179.2	-172.3	63.4	0	0	0	112.5	Y525 F527 F533 I547 I659	Y525-L653 HydrophobicContact CD1-CD1 3.83Å; Y525-L653 HydrophobicContact CE1-CD1 3.95Å; Y525-L653 WeakPolarHBondContact O-CA 3.28Å; Y525-L653 PolarHBondContact O-N 3.4Å; Y525-L653 VanDerWaalsContact O-N 3.1Å; F527-L653 HydrophobicContact CD2-CD1 3.7Å; F527-L653 HydrophobicContact CE1-CD1 4.46Å; F527-L653 HydrophobicContact CE2-CD1 3.41Å; F527-L653 VanDerWaalsContact CE2-CD1 3.41Å; F527-L653 HydrophobicContact CE2-CG 4.11Å; F527-L653 HydrophobicContact CG-CD1 4.33Å; F527-L653 HydrophobicContact CZ-CD1 3.85Å; F533-L653 HydrophobicContact CD1-CD2 3.64Å; F533-L653 HydrophobicContact CD1-CG 3.85Å; F533-L653 HydrophobicContact CE1-CD2 3.94Å; I547-L653 HydrophobicContact CG2-CD2 4.24Å; L653-I659 HydrophobicContact CB-CD1 4.14Å; L653-I659 HydrophobicContact CD2-CD1 4.12Å; L653-I659 HydrophobicContact CG-CD1 4.47Å
654	N	91.8	Very high	80.6	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.016	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-122.2	38.2	169.6	-165.1	27.7	0	0	0	111.9	G532 F533 M652 G656 Q657 R658 I659	G532-N654 VanDerWaalsContact CA-OD1 3.25Å; G532-N654 WeakPolarHBondContact CA-OD1 3.36Å; F533-N654 HydrophobicContact CB-CB 4.49Å; F533-N654 PolarHBondContact N-OD1 3.05Å; F533-N654 PolarHBondContact O-ND2 3.19Å; M652-N654 PolarHBondContact O-N 3.22Å; N654-G656 VanDerWaalsContact C-N 3.27Å; N654-G656 PolarHBondContact O-N 3.13Å; N654-Q657 WeakPolarHBondContact O-CB 3.48Å; N654-Q657 PolarHBondContact O-N 3.15Å; N654-R658 PolarHBondContact ND2-O 3.03Å; N654-I659 HydrophobicContact CB-CG1 3.72Å
655	G	85.3	Confident	82.3	Confident	47 Å²	47	42.5 Å²	42.5	49%	0.485	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	24.5	175.2	0	0	0	0	0	115.3	M652 Q657	M652-G655 PolarHBondContact O-N 3.41Å; G655-Q657 VanDerWaalsContact C-N 3.35Å
656	G	85.5	Confident	83.1	Confident	18 Å²	18	41.1 Å²	41.1	19%	0.186	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-7.7	-174.3	0	0	0	0	0	114.4	N649 V650 G651 N654	N649-G656 WeakPolarHBondContact OD1-CA 3.39Å; V650-G656 PolarHBondContact N-O 3.41Å; G651-G656 WeakPolarHBondContact O-CA 3.43Å; G651-G656 PolarHBondContact O-N 3.15Å; N654-G656 VanDerWaalsContact C-N 3.27Å; N654-G656 PolarHBondContact O-N 3.13Å
657	Q	90.5	Very high	83.3	Confident	98 Å²	98	36.8 Å²	36.8	46%	0.458	21%	0.21	S	C	.	.	S	Bend	trans	-83.3	167.6	179.1	-57.3	-173.2	63.6	0	0	112.1	N654 G655	N654-Q657 WeakPolarHBondContact O-CB 3.48Å; N654-Q657 PolarHBondContact O-N 3.15Å; G655-Q657 VanDerWaalsContact C-N 3.35Å
658	R	91.9	Very high	83.1	Confident	41 Å²	41	36.7 Å²	36.7	16%	0.155	20%	0.201	C	C	.	.			trans	-61	147.4	174.5	-62.6	-60.4	-55.1	-88.3	-3.5	111	E548 F557 E558 M560 N654 Y661	E548-R658 WeakPolarHBondContact OE1-CA 3.4Å; E548-R658 IonicContact OE1-CZ 3.84Å; E548-R658 IonicContact OE1-NE 3.78Å; E548-R658 PolarHBondContact OE1-NE 3.34Å; E548-R658 IonicContact OE1-NH2 3.93Å; E548-R658 PolarHBondContact OE1-NH2 3.38Å; E548-R658 IonicContact OE2-CZ 3.81Å; E548-R658 IonicContact OE2-NE 3.72Å; E548-R658 IonicContact OE2-NH2 3.95Å; E548-R658 PolarHBondContact OE2-NH2 3.3Å; F557-R658 VanDerWaalsContact CD2-NH2 3.32Å; E558-R658 PolarHBondContact O-NH1 3.11Å; E558-R658 PolarHBondContact O-NH2 3.04Å; M560-R658 HydrophobicContact CE-CB 4.06Å; M560-R658 HydrophobicContact CE-CG 4.34Å; M560-R658 HydrophobicContact SD-CG 4.23Å; N654-R658 PolarHBondContact ND2-O 3.03Å; R658-Y661 HydrophobicContact CB-CE2 4.32Å
659	I	94.1	Very high	82.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.			trans	-113.2	-42	-179.3	-62	159.5	0	0	0	110.9	F533 N535 I547 E548 V551 V650 L653 N654 Y661	F533-I659 HydrophobicContact CD1-CG2 3.55Å; F533-I659 HydrophobicContact CE1-CG2 3.61Å; F533-I659 HydrophobicContact CG-CG2 4.45Å; N535-I659 HydrophobicContact CB-CG2 4.07Å; N535-I659 PolarHBondContact N-O 2.97Å; I547-I659 HydrophobicContact CB-CG2 4.14Å; I547-I659 HydrophobicContact CG2-CG2 4.36Å; E548-I659 HydrophobicContact CG-CB 3.88Å; E548-I659 PolarHBondContact OE1-N 3.35Å; V551-I659 HydrophobicContact CG2-CD1 4.28Å; V650-I659 HydrophobicContact CG1-CD1 4.05Å; L653-I659 HydrophobicContact CB-CD1 4.14Å; L653-I659 HydrophobicContact CD2-CD1 4.12Å; L653-I659 HydrophobicContact CG-CD1 4.47Å; N654-I659 HydrophobicContact CB-CG1 3.72Å; I659-Y661 WeakPolarHBondContact O-CD2 3.29Å
660	D	95.1	Very high	81.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.3	-175.1	-71.6	-29.3	0	0	0	110.7	N535 Y537 R546 I547 E548 P559 M560	N535-D660 PolarHBondContact ND2-OD1 3.2Å; N535-D660 WeakPolarHBondContact O-CA 3.47Å; Y537-D660 HydrophobicContact CE1-CB 3.93Å; R546-D660 VanDerWaalsContact CB-OD2 3.23Å; R546-D660 WeakPolarHBondContact CB-OD2 3.32Å; R546-D660 IonicContact NE-OD2 3.85Å; R546-D660 PolarHBondContact NE-OD2 3.19Å; R546-D660 VanDerWaalsContact NE-OD2 3.17Å; R546-D660 IonicContact NH2-OD2 3.54Å; I547-D660 PolarHBondContact N-OD1 3.19Å; I547-D660 PolarHBondContact N-OD2 3.2Å; I547-D660 VanDerWaalsContact N-OD2 3.11Å; E548-D660 WeakPolarHBondContact CB-OD2 3.32Å; E548-D660 HydrophobicContact CG-CB 3.83Å; E548-D660 VanDerWaalsContact CG-OD2 3.28Å; E548-D660 WeakPolarHBondContact CG-OD2 3.41Å; E548-D660 PolarHBondContact N-OD2 2.9Å; E548-D660 PolarHBondContact OE1-N 2.83Å; P559-D660 HydrophobicContact CB-CB 4.05Å; M560-D660 PolarHBondContact N-O 3.26Å
661	Y	94.4	Very high	80	Confident	9 Å²	9	39.5 Å²	39.5	4%	0.035	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.8	179.7	-71.9	-115.6	0	0	0	110.3	F534 N535 I536 Y537 M560 I562 R658 I659 L693	F534-Y661 HydrophobicContact CD1-CD2 4.13Å; F534-Y661 HydrophobicContact CD1-CE1 4.38Å; F534-Y661 AromaticContact CD1-CE2 3.47Å; F534-Y661 HydrophobicContact CD1-CE2 3.47Å; F534-Y661 VanDerWaalsContact CD1-CE2 3.47Å; F534-Y661 AromaticContact CD1-CZ 3.6Å; F534-Y661 HydrophobicContact CE1-CE2 4.01Å; F534-Y661 AromaticContact CE1-CZ 3.75Å; F534-Y661 WeakPolarHBondContact CE1-OH 3.26Å; N535-Y661 PolarHBondContact O-N 3.21Å; I536-Y661 WeakPolarHBondContact CA-O 3.21Å; Y537-Y661 PolarHBondContact N-O 3.14Å; M560-Y661 HydrophobicContact CB-CD1 4.27Å; M560-Y661 HydrophobicContact CB-CG 4.42Å; M560-Y661 HydrophobicContact CE-CD1 3.86Å; M560-Y661 HydrophobicContact CE-CE1 3.02Å; M560-Y661 HydrophobicContact CE-CE2 3.97Å; M560-Y661 WeakPolarHBondContact CE-OH 3.37Å; M560-Y661 HydrophobicContact CG-CD1 4.42Å; M560-Y661 HydrophobicContact CG-CE1 4.43Å; M560-Y661 CarbonylContact O-C 3.59Å; M560-Y661 VanDerWaalsContact O-CA 3.25Å; M560-Y661 WeakPolarHBondContact O-CA 3.37Å; I562-Y661 HydrophobicContact CG1-CD1 4.12Å; R658-Y661 HydrophobicContact CB-CE2 4.32Å; I659-Y661 WeakPolarHBondContact O-CD2 3.29Å; Y661-L693 HydrophobicContact CD1-CD1 4.17Å; Y661-L693 HydrophobicContact CD1-CD2 3.62Å; Y661-L693 HydrophobicContact CE1-CD1 3.88Å; Y661-L693 HydrophobicContact CE1-CD2 4.09Å; Y661-L693 HydrophobicContact CG-CD2 4.11Å
662	V	93.1	Very high	78.9	Confident	17 Å²	17	42.8 Å²	42.8	10%	0.103	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133	-176	67.5	0	0	0	0	111.8	Y537 P539 P559 M560 L561 I562	Y537-V662 HydrophobicContact CD2-CG2 4.16Å; Y537-V662 HydrophobicContact CE2-CB 3.98Å; Y537-V662 HydrophobicContact CE2-CG2 3.8Å; Y537-V662 WeakPolarHBondContact O-CA 3.29Å; P539-V662 HydrophobicContact CB-CG2 4.25Å; P539-V662 HydrophobicContact CG-CG2 4.38Å; P559-V662 HydrophobicContact CB-CB 4.2Å; P559-V662 HydrophobicContact CB-CG1 4.14Å; P559-V662 HydrophobicContact CG-CB 3.95Å; P559-V662 HydrophobicContact CG-CG1 3.71Å; M560-V662 PolarHBondContact O-N 3.16Å; L561-V662 HydrophobicContact CD1-CG1 3.96Å; I562-V662 WeakPolarHBondContact CG1-O 3.34Å; I562-V662 PolarHBondContact N-O 3.04Å
663	L	89.4	Confident	77.7	Confident	7 Å²	7	46 Å²	46	4%	0.037	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-73.9	153.9	174.3	-70.9	171.9	0	0	0	112.1	Y537 H538 P539 I562 Y684 D689 T690	Y537-L663 PolarHBondContact O-N 3.47Å; H538-L663 HydrophobicContact CB-CD1 4.47Å; P539-L663 WeakPolarHBondContact CD-O 3.29Å; I562-L663 HydrophobicContact CB-CD2 4.38Å; I562-L663 HydrophobicContact CD1-CD2 3.69Å; I562-L663 HydrophobicContact CD1-CG 4.16Å; I562-L663 HydrophobicContact CG2-CD2 4.44Å; L663-Y684 HydrophobicContact CD1-CD1 3.83Å; L663-Y684 HydrophobicContact CD1-CE1 3.79Å; L663-D689 HydrophobicContact CD2-CB 4.03Å; L663-T690 WeakPolarHBondContact CD2-OG1 3.41Å
664	Q	81.2	Confident	76.4	Confident	3 Å²	3	55.4 Å²	55.4	1%	0.014	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-79.1	133.8	174.6	-69.3	177.6	47.7	0	0	111.7	L561 I562 R570	L561-Q664 HydrophobicContact CD1-CG 3.77Å; L561-Q664 HydrophobicContact CD2-CG 4.35Å; L561-Q664 HydrophobicContact CG-CG 4.13Å; I562-Q664 PolarHBondContact O-NE2 3.45Å; R570-Q664 PolarHBondContact NH1-O 2.84Å
665	E	71.6	Confident	74.9	Confident	33 Å²	33	60.9 Å²	60.9	15%	0.154	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-63	147.9	174.4	-61.1	169.7	-170.3	0	0	111.5	P539 F540 R570 R576	P539-E665 HydrophobicContact CG-CG 3.59Å; F540-E665 HydrophobicContact CE2-CG 4Å; F540-E665 HydrophobicContact CZ-CG 4.18Å; R570-E665 PolarHBondContact NH1-O 3.4Å; R576-E665 IonicContact NH1-OE2 3.23Å; R576-E665 PolarHBondContact NH1-OE2 3.14Å; R576-E665 VanDerWaalsContact NH1-OE2 3.16Å
666	K	65.8	Low	74	Confident	97 Å²	97	60.1 Å²	60.1	42%	0.422	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-82.9	148.3	162.4	-60.7	-178.7	-166.9	153.8	0	109.8	I668 E669	K666-I668 PolarHBondContact O-N 3.37Å; K666-E669 HydrophobicContact CB-CB 4.43Å; K666-E669 HydrophobicContact CB-CG 3.97Å; K666-E669 WeakPolarHBondContact CB-OE2 3.25Å; K666-E669 VanDerWaalsContact CD-OE1 3.27Å; K666-E669 WeakPolarHBondContact CD-OE1 3.46Å; K666-E669 WeakPolarHBondContact CG-OE2 3.39Å; K666-E669 PolarHBondContact N-OE2 3.32Å; K666-E669 IonicContact NZ-OE1 3.81Å; K666-E669 WeakPolarHBondContact O-CB 3.14Å; K666-E669 PolarHBondContact O-N 2.86Å
667	P	54	Low	73.2	Confident	58 Å²	58	60.4 Å²	60.4	38%	0.377	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.3	-178.2	-25.3	33.3	0	0	0	114.7	H572 S670 F671	H572-P667 HydrophobicContact CB-CB 4.4Å; H572-P667 HydrophobicContact CB-CG 3.84Å; P667-S670 PolarHBondContact O-OG 3.16Å; P667-F671 WeakPolarHBondContact O-CD2 3.39Å; P667-F671 WeakPolarHBondContact O-CE2 3.39Å
668	I	59.2	Low	72.1	Confident	122 Å²	122	57.3 Å²	57.3	63%	0.626	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-27.7	-179.8	-58.4	174.3	0	0	0	111.2	K666 S670 F671 F676	K666-I668 PolarHBondContact O-N 3.37Å; I668-S670 VanDerWaalsContact C-N 3.3Å; I668-S670 PolarHBondContact O-N 3.42Å; I668-F671 PolarHBondContact O-N 3.17Å; I668-F676 HydrophobicContact CG2-CE2 4.47Å; I668-F676 HydrophobicContact CG2-CZ 3.97Å; I668-F676 VanDerWaalsContact O-CE2 3.28Å; I668-F676 WeakPolarHBondContact O-CE2 3.46Å
669	E	59.3	Low	71.3	Confident	14 Å²	14	59.1 Å²	59.1	7%	0.065	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-69.9	-28.8	-176.6	-69.4	164.3	179.1	0	0	111.7	H538 F540 K666 F671 F676	H538-E669 IonicContact CE1-OE2 3.87Å; H538-E669 IonicContact NE2-OE2 3.14Å; F540-E669 HydrophobicContact CD2-CB 4.43Å; F540-E669 HydrophobicContact CE2-CB 4.24Å; K666-E669 HydrophobicContact CB-CB 4.43Å; K666-E669 HydrophobicContact CB-CG 3.97Å; K666-E669 WeakPolarHBondContact CB-OE2 3.25Å; K666-E669 VanDerWaalsContact CD-OE1 3.27Å; K666-E669 WeakPolarHBondContact CD-OE1 3.46Å; K666-E669 WeakPolarHBondContact CG-OE2 3.39Å; K666-E669 PolarHBondContact N-OE2 3.32Å; K666-E669 IonicContact NZ-OE1 3.81Å; K666-E669 WeakPolarHBondContact O-CB 3.14Å; K666-E669 PolarHBondContact O-N 2.86Å; E669-F671 PolarHBondContact O-N 3.19Å; E669-F676 VanDerWaalsContact CA-CD2 3.47Å; E669-F676 HydrophobicContact CB-CB 4.44Å; E669-F676 HydrophobicContact CB-CD2 4.18Å; E669-F676 HydrophobicContact CB-CG 4.18Å; E669-F676 HydrophobicContact CG-CB 4.33Å; E669-F676 HydrophobicContact CG-CD1 3.93Å; E669-F676 HydrophobicContact CG-CD2 4.32Å; E669-F676 HydrophobicContact CG-CE1 4.34Å; E669-F676 HydrophobicContact CG-CG 3.93Å; E669-F676 WeakPolarHBondContact O-CD2 3.11Å
670	S	58	Low	70.7	Confident	40 Å²	40	59.3 Å²	59.3	28%	0.28	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-71.3	-9.8	175.3	60.1	0	0	0	0	114.5	P667 I668	P667-S670 PolarHBondContact O-OG 3.16Å; I668-S670 VanDerWaalsContact C-N 3.3Å; I668-S670 PolarHBondContact O-N 3.42Å
671	F	57.8	Low	70.2	Confident	169 Å²	169	59.4 Å²	59.4	74%	0.741	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-87.8	-18.5	-179.7	-71.6	-83.4	0	0	0	113.6	P667 I668 E669	P667-F671 WeakPolarHBondContact O-CD2 3.39Å; P667-F671 WeakPolarHBondContact O-CE2 3.39Å; I668-F671 PolarHBondContact O-N 3.17Å; E669-F671 PolarHBondContact O-N 3.19Å
672	N	62.9	Low	69.4	Low	74 Å²	74	60.2 Å²	60.2	40%	0.396	30%	0.295	S	S	.	.			trans	-155.1	86.5	178	-168.7	-20.4	0	0	0	113.3	Y674 L675 F676	N672-Y674 VanDerWaalsContact C-N 3.28Å; N672-Y674 PolarHBondContact O-N 2.99Å; N672-Y674 PolarHBondContact OD1-N 3.3Å; N672-L675 HydrophobicContact CB-CB 4.02Å; N672-L675 PolarHBondContact O-N 2.85Å; N672-L675 VanDerWaalsContact O-N 3.13Å; N672-L675 PolarHBondContact OD1-N 3.27Å; N672-F676 HydrophobicContact CB-CD2 4.42Å; N672-F676 HydrophobicContact CB-CE2 4.25Å; N672-F676 WeakPolarHBondContact O-CD2 3.26Å; N672-F676 PolarHBondContact O-N 3.04Å
673	E	64.1	Low	68.9	Low	112 Å²	112	60.9 Å²	60.9	52%	0.523	30%	0.3	S	S	.	.	H	α-helix	trans	-51.1	-42.7	-177.4	-61.8	172.1	-179.7	0	0	113.3	F540 F676 A677	F540-E673 HydrophobicContact CD1-CG 4.36Å; F540-E673 HydrophobicContact CE1-CG 4.04Å; F540-E673 HydrophobicContact CZ-CG 4.44Å; E673-F676 PolarHBondContact O-N 2.7Å; E673-A677 WeakPolarHBondContact O-CB 3.5Å; E673-A677 PolarHBondContact O-N 3.41Å
674	Y	60.7	Low	68.9	Low	202 Å²	202	60.6 Å²	60.6	79%	0.792	30%	0.298	S	S	*	.	H	α-helix	trans	-74.1	-29.3	-176.5	-63.5	-79.9	0	0	0	113.8	N672 F676	N672-Y674 VanDerWaalsContact C-N 3.28Å; N672-Y674 PolarHBondContact O-N 2.99Å; N672-Y674 PolarHBondContact OD1-N 3.3Å; Y674-F676 VanDerWaalsContact C-N 3.34Å
675	L	59.6	Low	69.2	Low	117 Å²	117	60.5 Å²	60.5	61%	0.613	30%	0.298	S	S	*	.	H	α-helix	trans	-72.6	-33	176.9	-173.9	65.8	0	0	0	111.3	N672	N672-L675 HydrophobicContact CB-CB 4.02Å; N672-L675 PolarHBondContact O-N 2.85Å; N672-L675 VanDerWaalsContact O-N 3.13Å; N672-L675 PolarHBondContact OD1-N 3.27Å
676	F	66.8	Low	69.9	Low	32 Å²	32	63.5 Å²	63.5	14%	0.14	31%	0.312	C	S	.	.	H	α-helix	trans	-97.5	-11.2	-174.5	-62.8	-68.2	0	0	0	114.3	I668 E669 N672 E673 Y674 L678 Q679 S680	I668-F676 HydrophobicContact CG2-CE2 4.47Å; I668-F676 HydrophobicContact CG2-CZ 3.97Å; I668-F676 VanDerWaalsContact O-CE2 3.28Å; I668-F676 WeakPolarHBondContact O-CE2 3.46Å; E669-F676 VanDerWaalsContact CA-CD2 3.47Å; E669-F676 HydrophobicContact CB-CB 4.44Å; E669-F676 HydrophobicContact CB-CD2 4.18Å; E669-F676 HydrophobicContact CB-CG 4.18Å; E669-F676 HydrophobicContact CG-CB 4.33Å; E669-F676 HydrophobicContact CG-CD1 3.93Å; E669-F676 HydrophobicContact CG-CD2 4.32Å; E669-F676 HydrophobicContact CG-CE1 4.34Å; E669-F676 HydrophobicContact CG-CG 3.93Å; E669-F676 WeakPolarHBondContact O-CD2 3.11Å; N672-F676 HydrophobicContact CB-CD2 4.42Å; N672-F676 HydrophobicContact CB-CE2 4.25Å; N672-F676 WeakPolarHBondContact O-CD2 3.26Å; N672-F676 PolarHBondContact O-N 3.04Å; E673-F676 PolarHBondContact O-N 2.7Å; Y674-F676 VanDerWaalsContact C-N 3.34Å; F676-L678 PolarHBondContact O-N 3.37Å; F676-L678 VanDerWaalsContact O-N 3.17Å; F676-Q679 PolarHBondContact O-N 3.08Å; F676-S680 PolarHBondContact O-N 3.49Å; F676-S680 PolarHBondContact O-OG 3.28Å
677	A	67.9	Low	71.1	Confident	23 Å²	23	59.8 Å²	59.8	19%	0.19	30%	0.298	C	S	.	.	H	α-helix	trans	-55.4	-32.6	178.8	0	0	0	0	0	114.5	F540 P542 E673 S680	F540-A677 WeakPolarHBondContact O-CA 3.17Å; P542-A677 WeakPolarHBondContact CD-O 3.27Å; P542-A677 HydrophobicContact CG-CB 4.37Å; E673-A677 WeakPolarHBondContact O-CB 3.5Å; E673-A677 PolarHBondContact O-N 3.41Å; A677-S680 VanDerWaalsContact C-OG 3.23Å; A677-S680 WeakPolarHBondContact CA-OG 3.39Å; A677-S680 PolarHBondContact O-OG 2.9Å
678	L	67.9	Low	72.9	Confident	34 Å²	34	61.1 Å²	61.1	18%	0.178	30%	0.299	C	S	.	.	H	α-helix	trans	-78.9	-33	176.3	-177.8	57	0	0	0	112.1	L229 F299 F676 L682	L229-L678 HydrophobicContact CD1-CG 4.47Å; L229-L678 HydrophobicContact CD2-CD1 4.18Å; L229-L678 HydrophobicContact CD2-CD2 3.35Å; L229-L678 HydrophobicContact CD2-CG 3.38Å; L229-L678 HydrophobicContact CG-CG 4.23Å; F299-L678 HydrophobicContact CB-CD1 3.6Å; F299-L678 HydrophobicContact CB-CD2 4.42Å; F299-L678 HydrophobicContact CD1-CD1 4.15Å; F299-L678 HydrophobicContact CD2-CD1 3Å; F299-L678 HydrophobicContact CD2-CG 4.5Å; F299-L678 HydrophobicContact CE2-CD1 3.58Å; F299-L678 HydrophobicContact CG-CD1 3.31Å; F299-L678 HydrophobicContact CZ-CD1 4.35Å; F676-L678 PolarHBondContact O-N 3.37Å; F676-L678 VanDerWaalsContact O-N 3.17Å; L678-L682 HydrophobicContact CD1-CD1 4.23Å
679	Q	75.4	Confident	74.4	Confident	78 Å²	78	55.5 Å²	55.5	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-75.2	-36.4	179.7	-175.6	172.1	-1.1	0	0	111.7	L229 F676 H681 L682 C683	L229-Q679 HydrophobicContact CD1-CB 3.88Å; L229-Q679 HydrophobicContact CD1-CG 4.22Å; F676-Q679 PolarHBondContact O-N 3.08Å; Q679-H681 VanDerWaalsContact C-N 3.33Å; Q679-H681 PolarHBondContact O-N 2.84Å; Q679-L682 PolarHBondContact O-N 2.86Å; Q679-C683 WeakPolarHBondContact O-CB 3.5Å; Q679-C683 PolarHBondContact O-N 3.23Å; Q679-C683 VanDerWaalsContact O-N 3.15Å
680	S	80.8	Confident	76.1	Confident	5 Å²	5	54.8 Å²	54.8	4%	0.035	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-37.3	177.4	51.5	0	0	0	0	112.9	H538 F540 D541 F676 A677 L682 C683	H538-S680 WeakPolarHBondContact ND1-CB 3.49Å; F540-S680 PolarHBondContact O-OG 3.29Å; D541-S680 PolarHBondContact N-OG 3.12Å; F676-S680 PolarHBondContact O-N 3.49Å; F676-S680 PolarHBondContact O-OG 3.28Å; A677-S680 VanDerWaalsContact C-OG 3.23Å; A677-S680 WeakPolarHBondContact CA-OG 3.39Å; A677-S680 PolarHBondContact O-OG 2.9Å; S680-L682 PolarHBondContact O-N 3.33Å; S680-C683 PolarHBondContact O-SG 3.29Å
681	H	83.4	Confident	77.9	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-24.6	178	-172.6	63.2	0	0	0	113.6	F299 H350 S351 G506 D541 Q679 Y684	F299-H681 HydrophobicContact CE2-CB 4.49Å; F299-H681 AromaticContact CE2-CD2 3.96Å; H350-H681 AromaticContact CE1-NE2 3.7Å; H350-H681 AromaticContact NE2-NE2 3.82Å; H350-H681 PolarHBondContact NE2-O 2.95Å; S351-H681 VanDerWaalsContact CB-NE2 3.34Å; S351-H681 WeakPolarHBondContact CB-NE2 3.44Å; S351-H681 PolarHBondContact OG-CE1 2.81Å; S351-H681 PolarHBondContact OG-NE2 3.14Å; S351-H681 VanDerWaalsContact OG-NE2 3.1Å; G506-H681 PolarHBondContact O-CE1 3.18Å; D541-H681 VanDerWaalsContact CG-ND1 3.26Å; D541-H681 IonicContact OD1-CE1 3.37Å; D541-H681 IonicContact OD1-CG 2.79Å; D541-H681 IonicContact OD1-ND1 3.41Å; D541-H681 PolarHBondContact OD1-ND1 3.33Å; D541-H681 WeakPolarHBondContact OD2-CA 3.48Å; D541-H681 IonicContact OD2-CE1 2.73Å; D541-H681 IonicContact OD2-CG 2.95Å; D541-H681 IonicContact OD2-ND1 3.29Å; D541-H681 PolarHBondContact OD2-ND1 3.36Å; Q679-H681 VanDerWaalsContact C-N 3.33Å; Q679-H681 PolarHBondContact O-N 2.84Å; H681-Y684 WeakPolarHBondContact O-CD2 3.49Å; H681-Y684 WeakPolarHBondContact O-CE2 3.22Å
682	L	78	Confident	79.6	Confident	27 Å²	27	45.7 Å²	45.7	14%	0.141	22%	0.223	C	C	.	.	H	α-helix	trans	-112.8	3	-169.5	-58.7	167.6	0	0	0	112.2	C227 D228 L229 L678 Q679 S680	C227-L682 WeakPolarHBondContact O-CD2 3.39Å; D228-L682 HydrophobicContact CB-CB 4.38Å; L229-L682 HydrophobicContact CB-CD1 4.44Å; L229-L682 HydrophobicContact CD2-CD1 4.14Å; L229-L682 HydrophobicContact CG-CD1 3.73Å; L678-L682 HydrophobicContact CD1-CD1 4.23Å; Q679-L682 PolarHBondContact O-N 2.86Å; S680-L682 PolarHBondContact O-N 3.33Å
683	C	83.9	Confident	81.1	Confident	31 Å²	31	42.8 Å²	42.8	21%	0.209	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-81	-12.7	-175.2	73.9	0	0	0	0	114.4	Q679 S680 W685 E686 S687	Q679-C683 WeakPolarHBondContact O-CB 3.5Å; Q679-C683 PolarHBondContact O-N 3.23Å; Q679-C683 VanDerWaalsContact O-N 3.15Å; S680-C683 PolarHBondContact O-SG 3.29Å; C683-W685 VanDerWaalsContact C-N 3.26Å; C683-W685 PolarHBondContact O-N 3.44Å; C683-E686 PolarHBondContact O-N 2.85Å; C683-S687 WeakPolarHBondContact O-CB 3.48Å; C683-S687 PolarHBondContact O-N 3.46Å
684	Y	88.8	Confident	82.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-61.9	-31.8	-172.5	-56	-75.4	0	0	0	113.5	H350 F505 G506 Y537 H538 D541 L663 H681 E686 S687	H350-Y684 AromaticContact CD2-CD2 3.76Å; H350-Y684 AromaticContact NE2-CD2 3.88Å; F505-Y684 HydrophobicContact CB-CD1 4.29Å; F505-Y684 HydrophobicContact CB-CD2 4.2Å; F505-Y684 HydrophobicContact CB-CG 3.98Å; G506-Y684 VanDerWaalsContact CA-OH 3.31Å; G506-Y684 WeakPolarHBondContact CA-OH 3.33Å; Y537-Y684 WeakPolarHBondContact CA-OH 3.5Å; H538-Y684 HydrophobicContact CB-CE1 4.36Å; H538-Y684 PolarHBondContact N-OH 3.05Å; D541-Y684 WeakPolarHBondContact CB-OH 3.21Å; D541-Y684 WeakPolarHBondContact OD2-CE2 3.5Å; D541-Y684 PolarHBondContact OD2-OH 3.45Å; L663-Y684 HydrophobicContact CD1-CD1 3.83Å; L663-Y684 HydrophobicContact CD1-CE1 3.79Å; H681-Y684 WeakPolarHBondContact O-CD2 3.49Å; H681-Y684 WeakPolarHBondContact O-CE2 3.22Å; Y684-E686 VanDerWaalsContact C-N 3.33Å; Y684-E686 PolarHBondContact O-N 3.07Å; Y684-S687 PolarHBondContact O-N 3.48Å
685	W	86.8	Confident	84.3	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.008	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-67.6	-30.3	-176.1	-55.4	118.2	0	0	0	114.2	V219 C227 I234 C237 V238 F241 H350 C683	V219-W685 HydrophobicContact CG1-CH2 3.51Å; V219-W685 HydrophobicContact CG1-CZ3 3.52Å; C227-W685 PolarHBondContact O-NE1 3.26Å; I234-W685 HydrophobicContact CD1-CH2 3.68Å; I234-W685 HydrophobicContact CD1-CZ2 3.81Å; I234-W685 HydrophobicContact CD1-CZ3 4.3Å; C237-W685 HydrophobicContact CB-CB 4.19Å; C237-W685 HydrophobicContact CB-CD2 3.81Å; C237-W685 HydrophobicContact CB-CE3 4.32Å; C237-W685 HydrophobicContact CB-CG 3.73Å; V238-W685 HydrophobicContact CG2-CZ3 4.46Å; F241-W685 HydrophobicContact CD2-CE3 4.29Å; H350-W685 HydrophobicContact CB-CH2 3.64Å; H350-W685 HydrophobicContact CB-CZ2 3.42Å; H350-W685 VanDerWaalsContact CB-CZ2 3.42Å; H350-W685 AromaticContact CG-CZ2 3.52Å; H350-W685 AromaticContact ND1-CZ2 3.79Å; C683-W685 VanDerWaalsContact C-N 3.26Å; C683-W685 PolarHBondContact O-N 3.44Å
686	E	86.5	Confident	85.9	Confident	96 Å²	96	25.8 Å²	25.8	45%	0.449	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-2.1	-176.8	-65.8	169.5	-157.9	0	0	112	R230 R232 C683 Y684 E688	R230-E686 IonicContact CZ-OE1 3.96Å; R230-E686 IonicContact NH2-OE1 2.88Å; R230-E686 PolarHBondContact NH2-OE1 2.99Å; R232-E686 IonicContact NH2-OE1 3.23Å; R232-E686 PolarHBondContact NH2-OE1 3.49Å; C683-E686 PolarHBondContact O-N 2.85Å; Y684-E686 VanDerWaalsContact C-N 3.33Å; Y684-E686 PolarHBondContact O-N 3.07Å; E686-E688 PolarHBondContact O-N 3.49Å
687	S	90.6	Very high	87.3	Confident	18 Å²	18	24.8 Å²	24.8	13%	0.126	13%	0.127	C	C	.	.			trans	-77	105.1	-176.2	176.3	0	0	0	0	110.6	C683 Y684 D689 T690 V691	C683-S687 WeakPolarHBondContact O-CB 3.48Å; C683-S687 PolarHBondContact O-N 3.46Å; Y684-S687 PolarHBondContact O-N 3.48Å; S687-D689 PolarHBondContact O-N 3.35Å; S687-T690 VanDerWaalsContact CB-OG1 3.25Å; S687-T690 WeakPolarHBondContact CB-OG1 3.47Å; S687-T690 WeakPolarHBondContact O-CB 3.3Å; S687-T690 PolarHBondContact O-N 2.99Å; S687-T690 VanDerWaalsContact O-N 3.08Å; S687-T690 PolarHBondContact OG-N 3.36Å; S687-T690 PolarHBondContact OG-OG1 2.83Å; S687-V691 VanDerWaalsContact O-CG2 3.32Å; S687-V691 WeakPolarHBondContact O-CG2 3.49Å; S687-V691 PolarHBondContact O-N 3.41Å
688	E	92	Very high	88.6	Confident	86 Å²	86	23.7 Å²	23.7	40%	0.402	12%	0.118	S	C	.	.	H	α-helix	trans	-54	-36.1	171.5	-68.1	171.5	142.4	0	0	111.8	V244 L248 H565 E686 V691 L692	V244-E688 HydrophobicContact CG1-CB 4.34Å; V244-E688 HydrophobicContact CG1-CG 3.76Å; L248-E688 HydrophobicContact CD1-CB 4.48Å; H565-E688 HydrophobicContact CB-CB 4.17Å; H565-E688 IonicContact CD2-OE2 2.61Å; H565-E688 IonicContact CE1-OE2 3.67Å; H565-E688 PolarHBondContact CE1-OE2 3.39Å; H565-E688 IonicContact CG-OE2 3.83Å; H565-E688 IonicContact ND1-OE2 3.21Å; H565-E688 PolarHBondContact ND1-OE2 3.47Å; H565-E688 IonicContact NE2-OE2 3.29Å; H565-E688 PolarHBondContact NE2-OE2 3.08Å; E686-E688 PolarHBondContact O-N 3.49Å; E688-V691 PolarHBondContact O-N 3.14Å; E688-L692 VanDerWaalsContact O-CB 3.23Å; E688-L692 WeakPolarHBondContact O-CB 3.18Å; E688-L692 PolarHBondContact O-N 3.36Å
689	D	91.8	Very high	89.9	Confident	4 Å²	4	22.1 Å²	22.1	2%	0.021	11%	0.109	C	C	.	.	H	α-helix	trans	-66.7	-39.7	179.4	-57.9	-20.8	0	0	0	111.1	I562 H564 H565 R570 L663 S687 L693	I562-D689 HydrophobicContact CG2-CB 4.08Å; H564-D689 WeakPolarHBondContact CA-OD1 3.49Å; H564-D689 IonicContact CD2-OD1 2.77Å; H564-D689 IonicContact CD2-OD2 3.09Å; H564-D689 IonicContact CG-OD1 2.98Å; H565-D689 IonicContact CG-OD1 3.87Å; H565-D689 PolarHBondContact N-OD1 3.37Å; H565-D689 IonicContact ND1-OD1 2.85Å; H565-D689 PolarHBondContact ND1-OD1 2.94Å; R570-D689 IonicContact CZ-OD2 3.3Å; R570-D689 IonicContact NH2-OD2 3.9Å; R570-D689 PolarHBondContact NH2-OD2 3.13Å; L663-D689 HydrophobicContact CD2-CB 4.03Å; S687-D689 PolarHBondContact O-N 3.35Å; D689-L693 PolarHBondContact O-N 3.13Å
690	T	94.1	Very high	90.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.1	-48.8	175.6	-56.4	0	0	0	0	110.9	F505 I536 L663 S687 L692 L693 V694	F505-T690 HydrophobicContact CD1-CG2 4.24Å; F505-T690 HydrophobicContact CE1-CG2 3.88Å; F505-T690 HydrophobicContact CZ-CG2 4.27Å; I536-T690 HydrophobicContact CG2-CG2 4.3Å; L663-T690 WeakPolarHBondContact CD2-OG1 3.41Å; S687-T690 VanDerWaalsContact CB-OG1 3.25Å; S687-T690 WeakPolarHBondContact CB-OG1 3.47Å; S687-T690 WeakPolarHBondContact O-CB 3.3Å; S687-T690 PolarHBondContact O-N 2.99Å; S687-T690 VanDerWaalsContact O-N 3.08Å; S687-T690 PolarHBondContact OG-N 3.36Å; S687-T690 PolarHBondContact OG-OG1 2.83Å; T690-L692 VanDerWaalsContact C-N 3.34Å; T690-L692 PolarHBondContact O-N 3.42Å; T690-L693 PolarHBondContact O-N 3.13Å; T690-V694 WeakPolarHBondContact O-CG2 3.5Å; T690-V694 PolarHBondContact O-N 3.41Å
691	V	95.4	Very high	91.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.5	-43	-178.3	-179.9	0	0	0	0	110.4	F241 V244 L248 S687 E688 L693 V694 L695	F241-V691 HydrophobicContact CD1-CG1 4.45Å; F241-V691 HydrophobicContact CD1-CG2 4.14Å; F241-V691 HydrophobicContact CD2-CG2 3.63Å; F241-V691 HydrophobicContact CE1-CB 4.33Å; F241-V691 HydrophobicContact CE1-CG1 4.02Å; F241-V691 HydrophobicContact CE1-CG2 3.89Å; F241-V691 HydrophobicContact CE2-CB 4.38Å; F241-V691 HydrophobicContact CE2-CG2 3.39Å; F241-V691 HydrophobicContact CG-CG2 4.01Å; F241-V691 HydrophobicContact CZ-CB 4.08Å; F241-V691 HydrophobicContact CZ-CG1 4.27Å; F241-V691 HydrophobicContact CZ-CG2 3.54Å; V244-V691 HydrophobicContact CB-CG2 4.2Å; V244-V691 HydrophobicContact CG1-CB 3.96Å; V244-V691 HydrophobicContact CG1-CG1 4.13Å; V244-V691 HydrophobicContact CG1-CG2 3.78Å; L248-V691 HydrophobicContact CD1-CB 3.82Å; L248-V691 HydrophobicContact CD1-CG1 3.77Å; S687-V691 VanDerWaalsContact O-CG2 3.32Å; S687-V691 WeakPolarHBondContact O-CG2 3.49Å; S687-V691 PolarHBondContact O-N 3.41Å; E688-V691 PolarHBondContact O-N 3.14Å; V691-L693 VanDerWaalsContact C-N 3.34Å; V691-L693 PolarHBondContact O-N 2.78Å; V691-V694 PolarHBondContact O-N 2.79Å; V691-L695 HydrophobicContact CG1-CD1 4.21Å; V691-L695 HydrophobicContact CG1-CG 4.38Å; V691-L695 WeakPolarHBondContact O-CG 3.13Å; V691-L695 PolarHBondContact O-N 3.23Å
692	L	94.1	Very high	91.4	Very high	18 Å²	18	28.6 Å²	28.6	9%	0.094	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-40	178.2	-173.9	63.3	0	0	0	112.1	L248 H252 F253 H565 E688 T690 L695 K696 L706	L248-L692 HydrophobicContact CD1-CB 4.04Å; H252-L692 HydrophobicContact CB-CD1 3.94Å; F253-L692 HydrophobicContact CE2-CD1 4.36Å; H565-L692 HydrophobicContact CB-CD2 3.81Å; E688-L692 VanDerWaalsContact O-CB 3.23Å; E688-L692 WeakPolarHBondContact O-CB 3.18Å; E688-L692 PolarHBondContact O-N 3.36Å; T690-L692 VanDerWaalsContact C-N 3.34Å; T690-L692 PolarHBondContact O-N 3.42Å; L692-L695 PolarHBondContact O-N 3.38Å; L692-K696 VanDerWaalsContact O-CB 3.25Å; L692-K696 WeakPolarHBondContact O-CB 3.34Å; L692-K696 PolarHBondContact O-N 3.08Å; L692-L706 HydrophobicContact CD1-CD2 3.79Å
693	L	94.1	Very high	92	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.063	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-47.3	174.4	178.3	65.3	0	0	0	110.9	I536 I562 Y661 D689 T690 V691 L695 K696 E697	I536-L693 HydrophobicContact CD1-CD2 3.76Å; I536-L693 HydrophobicContact CG1-CD2 3.88Å; I562-L693 HydrophobicContact CD1-CD2 3.69Å; I562-L693 HydrophobicContact CG1-CD2 4Å; Y661-L693 HydrophobicContact CD1-CD1 4.17Å; Y661-L693 HydrophobicContact CD1-CD2 3.62Å; Y661-L693 HydrophobicContact CE1-CD1 3.88Å; Y661-L693 HydrophobicContact CE1-CD2 4.09Å; Y661-L693 HydrophobicContact CG-CD2 4.11Å; D689-L693 PolarHBondContact O-N 3.13Å; T690-L693 PolarHBondContact O-N 3.13Å; V691-L693 VanDerWaalsContact C-N 3.34Å; V691-L693 PolarHBondContact O-N 2.78Å; L693-L695 PolarHBondContact O-N 3.31Å; L693-K696 PolarHBondContact O-N 3.3Å; L693-E697 HydrophobicContact CD1-CG 4.01Å; L693-E697 HydrophobicContact CG-CG 4.47Å; L693-E697 WeakPolarHBondContact O-CG 3.29Å; L693-E697 PolarHBondContact O-N 3.48Å
694	V	96.4	Very high	92.2	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-58.2	-48	177.5	170.7	0	0	0	0	111	F241 F267 F503 F505 T690 V691 E697 I698	F241-V694 HydrophobicContact CZ-CB 4.48Å; F241-V694 HydrophobicContact CZ-CG2 4.28Å; F267-V694 HydrophobicContact CE1-CG1 4.18Å; F267-V694 HydrophobicContact CZ-CG1 4.38Å; F503-V694 HydrophobicContact CD1-CG2 3.92Å; F503-V694 HydrophobicContact CD2-CG1 4.32Å; F503-V694 HydrophobicContact CD2-CG2 4.48Å; F503-V694 HydrophobicContact CE1-CB 4.41Å; F503-V694 HydrophobicContact CE1-CG2 4.06Å; F503-V694 HydrophobicContact CE2-CG1 3.94Å; F503-V694 HydrophobicContact CG-CG2 4.14Å; F503-V694 HydrophobicContact CZ-CB 4.37Å; F503-V694 HydrophobicContact CZ-CG1 4.03Å; F503-V694 HydrophobicContact CZ-CG2 4.39Å; F505-V694 HydrophobicContact CE1-CG2 4.17Å; F505-V694 HydrophobicContact CZ-CG2 4.02Å; T690-V694 WeakPolarHBondContact O-CG2 3.5Å; T690-V694 PolarHBondContact O-N 3.41Å; V691-V694 PolarHBondContact O-N 2.79Å; V694-E697 PolarHBondContact O-N 3.41Å; V694-I698 HydrophobicContact CG1-CD1 3.72Å; V694-I698 WeakPolarHBondContact O-CB 3.29Å; V694-I698 VanDerWaalsContact O-CG1 3.28Å; V694-I698 WeakPolarHBondContact O-CG1 3.38Å; V694-I698 PolarHBondContact O-N 3.23Å
695	L	95.6	Very high	92.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-45.5	177.9	-71.4	179.1	0	0	0	112.4	S245 L248 L249 F253 V265 V691 L692 L693 E697 I698 Y699	S245-L695 WeakPolarHBondContact OG-CD2 3.38Å; L248-L695 HydrophobicContact CB-CD1 3.98Å; L249-L695 HydrophobicContact CD2-CD1 3.94Å; L249-L695 HydrophobicContact CD2-CD2 4.19Å; L249-L695 HydrophobicContact CG-CD1 4.37Å; F253-L695 HydrophobicContact CE2-CB 4.12Å; F253-L695 HydrophobicContact CZ-CB 4.45Å; V265-L695 HydrophobicContact CB-CD2 4.09Å; V265-L695 HydrophobicContact CG2-CD2 3.69Å; V691-L695 HydrophobicContact CG1-CD1 4.21Å; V691-L695 HydrophobicContact CG1-CG 4.38Å; V691-L695 WeakPolarHBondContact O-CG 3.13Å; V691-L695 PolarHBondContact O-N 3.23Å; L692-L695 PolarHBondContact O-N 3.38Å; L693-L695 PolarHBondContact O-N 3.31Å; L695-E697 PolarHBondContact O-N 3.4Å; L695-I698 PolarHBondContact O-N 3.24Å; L695-Y699 HydrophobicContact CB-CD2 4.47Å; L695-Y699 HydrophobicContact CD2-CE2 4.15Å; L695-Y699 VanDerWaalsContact O-CD2 3.23Å; L695-Y699 WeakPolarHBondContact O-CD2 3.44Å; L695-Y699 PolarHBondContact O-N 3.33Å
696	K	94.1	Very high	92.1	Very high	74 Å²	74	38.6 Å²	38.6	32%	0.322	20%	0.201	S	C	.	.	H	α-helix	trans	-57.9	-50.5	178.4	180	-162.3	166.7	-131.9	0	111	L692 L693 I698 Q700 L706	L692-K696 VanDerWaalsContact O-CB 3.25Å; L692-K696 WeakPolarHBondContact O-CB 3.34Å; L692-K696 PolarHBondContact O-N 3.08Å; L693-K696 PolarHBondContact O-N 3.3Å; K696-I698 VanDerWaalsContact C-N 3.34Å; K696-I698 PolarHBondContact O-N 3.12Å; K696-Q700 WeakPolarHBondContact O-CB 3.46Å; K696-Q700 PolarHBondContact O-N 2.77Å; K696-L706 HydrophobicContact CB-CD1 4.26Å; K696-L706 HydrophobicContact CB-CG 4.44Å; K696-L706 HydrophobicContact CD-CD1 3.84Å; K696-L706 HydrophobicContact CG-CD1 3.85Å; K696-L706 HydrophobicContact CG-CG 4.14Å
697	E	95	Very high	91.9	Very high	11 Å²	11	35.7 Å²	35.7	5%	0.051	19%	0.188	C	C	.	.	H	α-helix	trans	-69.4	-33.1	-176.7	-61.3	-56.7	140.2	0	0	111.8	I501 F503 F534 L693 V694 L695 T701	I501-E697 HydrophobicContact CD1-CB 4.32Å; F503-E697 HydrophobicContact CE1-CB 4.24Å; F503-E697 HydrophobicContact CZ-CB 4.27Å; F534-E697 HydrophobicContact CD1-CG 4.39Å; F534-E697 HydrophobicContact CE1-CB 4.5Å; F534-E697 HydrophobicContact CE1-CG 3.69Å; F534-E697 HydrophobicContact CE2-CB 4.31Å; F534-E697 HydrophobicContact CE2-CG 4.36Å; F534-E697 HydrophobicContact CZ-CB 4.02Å; F534-E697 HydrophobicContact CZ-CG 3.68Å; F534-E697 WeakPolarHBondContact CZ-OE2 3.38Å; L693-E697 HydrophobicContact CD1-CG 4.01Å; L693-E697 HydrophobicContact CG-CG 4.47Å; L693-E697 WeakPolarHBondContact O-CG 3.29Å; L693-E697 PolarHBondContact O-N 3.48Å; V694-E697 PolarHBondContact O-N 3.41Å; L695-E697 PolarHBondContact O-N 3.4Å; E697-T701 WeakPolarHBondContact O-CG2 3.03Å
698	I	95.7	Very high	90.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-55.5	172.5	-71.6	170.5	0	0	0	111.2	H215 V217 V265 I501 F503 V694 L695 K696 Q700 T701	H215-I698 HydrophobicContact CB-CG2 3.62Å; H215-I698 VanDerWaalsContact CG-CG2 3.47Å; V217-I698 HydrophobicContact CG2-CD1 3.71Å; V265-I698 HydrophobicContact CG1-CD1 3.95Å; V265-I698 HydrophobicContact CG2-CG2 4.12Å; I501-I698 HydrophobicContact CD1-CG1 4.28Å; F503-I698 HydrophobicContact CE2-CD1 4.23Å; F503-I698 HydrophobicContact CE2-CG1 4.17Å; F503-I698 HydrophobicContact CZ-CG1 4.15Å; V694-I698 HydrophobicContact CG1-CD1 3.72Å; V694-I698 WeakPolarHBondContact O-CB 3.29Å; V694-I698 VanDerWaalsContact O-CG1 3.28Å; V694-I698 WeakPolarHBondContact O-CG1 3.38Å; V694-I698 PolarHBondContact O-N 3.23Å; L695-I698 PolarHBondContact O-N 3.24Å; K696-I698 VanDerWaalsContact C-N 3.34Å; K696-I698 PolarHBondContact O-N 3.12Å; I698-Q700 PolarHBondContact O-N 3.26Å; I698-T701 PolarHBondContact O-N 2.68Å; I698-T701 PolarHBondContact O-OG1 3.45Å
699	Y	94.6	Very high	88.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.5	-25.1	-177.4	-77.6	-59.7	0	0	0	113.1	D214 L249 F253 I262 V265 L695 T701 Q702 G703 I704	D214-Y699 HydrophobicContact CB-CE1 4.16Å; D214-Y699 PolarHBondContact OD2-OH 2.98Å; L249-Y699 HydrophobicContact CD2-CD2 4.45Å; L249-Y699 HydrophobicContact CD2-CE2 3.41Å; L249-Y699 VanDerWaalsContact CD2-CE2 3.41Å; F253-Y699 HydrophobicContact CD1-CD2 4.3Å; F253-Y699 AromaticContact CE1-CD2 3.83Å; F253-Y699 HydrophobicContact CE1-CD2 3.83Å; F253-Y699 HydrophobicContact CE1-CG 4.19Å; F253-Y699 HydrophobicContact CE2-CD2 4.26Å; F253-Y699 AromaticContact CZ-CD2 3.8Å; F253-Y699 HydrophobicContact CZ-CD2 3.8Å; I262-Y699 HydrophobicContact CB-CE1 3.93Å; I262-Y699 HydrophobicContact CG2-CD1 3.86Å; I262-Y699 HydrophobicContact CG2-CE1 3.49Å; I262-Y699 VanDerWaalsContact CG2-CE1 3.49Å; V265-Y699 HydrophobicContact CG2-CE2 4.09Å; L695-Y699 HydrophobicContact CB-CD2 4.47Å; L695-Y699 HydrophobicContact CD2-CE2 4.15Å; L695-Y699 VanDerWaalsContact O-CD2 3.23Å; L695-Y699 WeakPolarHBondContact O-CD2 3.44Å; L695-Y699 PolarHBondContact O-N 3.33Å; Y699-T701 VanDerWaalsContact C-N 3.26Å; Y699-T701 PolarHBondContact O-N 3.16Å; Y699-Q702 CarbonylContact O-C 3.59Å; Y699-Q702 WeakPolarHBondContact O-CA 3.2Å; Y699-Q702 WeakPolarHBondContact O-CB 3.36Å; Y699-Q702 PolarHBondContact O-N 3.13Å; Y699-G703 PolarHBondContact O-N 2.87Å; Y699-G703 VanDerWaalsContact O-N 3.15Å; Y699-I704 CarbonylContact C-O 3.57Å; Y699-I704 HydrophobicContact CD1-CD1 4.35Å; Y699-I704 PolarHBondContact O-N 3.22Å
700	Q	92.4	Very high	86.2	Confident	75 Å²	75	52 Å²	52	35%	0.35	28%	0.276	S	S	.	.	H	α-helix	trans	-63.9	-30.1	172.8	-174.8	170.2	-23.3	0	0	112.2	K696 I698 Q702 G703 I704 F705	K696-Q700 WeakPolarHBondContact O-CB 3.46Å; K696-Q700 PolarHBondContact O-N 2.77Å; I698-Q700 PolarHBondContact O-N 3.26Å; Q700-Q702 PolarHBondContact O-N 3Å; Q700-G703 PolarHBondContact O-N 2.99Å; Q700-I704 PolarHBondContact N-O 3.18Å; Q700-F705 HydrophobicContact CG-CE1 3.98Å
701	T	90.5	Very high	83.1	Confident	75 Å²	75	64.7 Å²	64.7	46%	0.46	34%	0.336	S	S	.	.	H	α-helix	trans	-67.7	-24.5	171.9	74.3	0	0	0	0	112.2	E500 I501 E697 I698 Y699	E500-T701 PolarHBondContact OE2-OG1 3.39Å; I501-T701 HydrophobicContact CD1-CG2 3.91Å; I501-T701 HydrophobicContact CG1-CG2 4.46Å; E697-T701 WeakPolarHBondContact O-CG2 3.03Å; I698-T701 PolarHBondContact O-N 2.68Å; I698-T701 PolarHBondContact O-OG1 3.45Å; Y699-T701 VanDerWaalsContact C-N 3.26Å; Y699-T701 PolarHBondContact O-N 3.16Å
702	Q	89.5	Confident	82.5	Confident	70 Å²	70	68 Å²	68	33%	0.327	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.7	176.8	-51	-172.3	13.3	0	0	113	D214 Y699 Q700 I704	D214-Q702 PolarHBondContact O-NE2 3.49Å; Y699-Q702 CarbonylContact O-C 3.59Å; Y699-Q702 WeakPolarHBondContact O-CA 3.2Å; Y699-Q702 WeakPolarHBondContact O-CB 3.36Å; Y699-Q702 PolarHBondContact O-N 3.13Å; Q700-Q702 PolarHBondContact O-N 3Å; Q702-I704 VanDerWaalsContact C-N 3.33Å
703	G	89.3	Confident	81.9	Confident	49 Å²	49	70.6 Å²	70.6	51%	0.505	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	17.7	-178.8	0	0	0	0	0	114.5	Y699 Q700 F705	Y699-G703 PolarHBondContact O-N 2.87Å; Y699-G703 VanDerWaalsContact O-N 3.15Å; Q700-G703 PolarHBondContact O-N 2.99Å; G703-F705 WeakPolarHBondContact O-CE2 3.36Å
704	I	89.7	Confident	81.2	Confident	27 Å²	27	73.8 Å²	73.8	14%	0.138	38%	0.383	C	S	.	.			trans	-105.2	131.1	179.5	-59.2	176.3	0	0	0	108.7	F253 A256 Q261 I262 Y699 Q700 Q702	F253-I704 HydrophobicContact CD1-CG2 4.14Å; F253-I704 HydrophobicContact CE1-CG2 4.43Å; A256-I704 HydrophobicContact CB-CG2 3.96Å; Q261-I704 HydrophobicContact CB-CD1 4.48Å; I262-I704 HydrophobicContact CG2-CD1 3.33Å; I262-I704 HydrophobicContact CG2-CG2 4.26Å; Y699-I704 CarbonylContact C-O 3.57Å; Y699-I704 HydrophobicContact CD1-CD1 4.35Å; Y699-I704 PolarHBondContact O-N 3.22Å; Q700-I704 PolarHBondContact N-O 3.18Å; Q702-I704 VanDerWaalsContact C-N 3.33Å
705	F	87.5	Confident	80.3	Confident	135 Å²	135	78.1 Å²	78.1	59%	0.592	41%	0.405	S	S	*	.			trans	-117.6	157.1	-174.5	-59.8	-83.7	0	0	0	111.1	Q700 G703	Q700-F705 HydrophobicContact CG-CE1 3.98Å; G703-F705 WeakPolarHBondContact O-CE2 3.36Å
706	L	84.9	Confident	79.3	Confident	59 Å²	59	83 Å²	83	31%	0.309	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-56.2	141.1	174.9	-69.8	167.6	0	0	0	111.1	H252 F253 L692 K696 Q708	H252-L706 HydrophobicContact CB-CD2 3.85Å; F253-L706 HydrophobicContact CD2-CD2 4.32Å; F253-L706 HydrophobicContact CE1-CD2 4.05Å; F253-L706 HydrophobicContact CE2-CD2 3.57Å; F253-L706 HydrophobicContact CZ-CD2 3.41Å; F253-L706 VanDerWaalsContact CZ-CD2 3.41Å; F253-L706 HydrophobicContact CZ-CG 4.17Å; L692-L706 HydrophobicContact CD1-CD2 3.79Å; K696-L706 HydrophobicContact CB-CD1 4.26Å; K696-L706 HydrophobicContact CB-CG 4.44Å; K696-L706 HydrophobicContact CD-CD1 3.84Å; K696-L706 HydrophobicContact CG-CD1 3.85Å; K696-L706 HydrophobicContact CG-CG 4.14Å; L706-Q708 PolarHBondContact O-N 2.75Å
707	D	81.7	Confident	78.3	Confident	35 Å²	35	83.6 Å²	83.6	19%	0.187	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-60.2	124.6	168.8	-75.4	-33.5	0	0	0	109	H252 K254 K255	H252-D707 WeakPolarHBondContact O-CB 3.1Å; H252-D707 PolarHBondContact O-N 2.78Å; K254-D707 PolarHBondContact N-OD2 3.43Å; K255-D707 WeakPolarHBondContact CB-OD1 3.28Å; K255-D707 VanDerWaalsContact CD-OD1 3.27Å; K255-D707 WeakPolarHBondContact CD-OD1 3.42Å; K255-D707 WeakPolarHBondContact CG-OD1 3.2Å; K255-D707 PolarHBondContact N-OD2 3.46Å
708	Q	62.4	Low	77.1	Confident	168 Å²	168	88.8 Å²	88.8	79%	0.785	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-55.8	131.2	172.7	-71	-178.7	-2.1	0	0	108.3	L706 L710	L706-Q708 PolarHBondContact O-N 2.75Å; Q708-L710 PolarHBondContact O-N 3Å; Q708-L710 VanDerWaalsContact O-N 3.12Å
709	P	56	Low	75.7	Confident	103 Å²	103	95.6 Å²	95.6	67%	0.669	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-55.6	126.1	176.1	21.5	-30	0	0	0	107.8	Q711	P709-Q711 PolarHBondContact O-N 3.18Å
710	L	36.8	Very low	74.1	Confident	180 Å²	180	103.6 Å²	103.6	94%	0.942	54%	0.543	S	S	*	.			trans	-51.4	111.8	166.7	-79.1	152.3	0	0	0	106.2	Q708	Q708-L710 PolarHBondContact O-N 3Å; Q708-L710 VanDerWaalsContact O-N 3.12Å
711	Q	29	Very low	72.5	Confident	267 Å²	267	106.2 Å²	106.2	100%	1.248	56%	0.56	S	S	*	*			trans	-58.2	0	180	-82	-175.3	-21.5	0	0	111.7	P709	P709-Q711 PolarHBondContact O-N 3.18Å

Retrieved 711 of 711 residues in 189.9 ms (Link to these results)

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