A0A096MR51_PAPAN Loading...

DDHD domain containing 2

AlphaFold DB (A0A2K6ACS5), UniProt , Accession A0A096MR51, Species PAPAN (Papio anubis, Olive baboon), Gene DDHD2, Length 711 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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 403.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).