A0A087XNF8_POEFO Loading...

phosphatidylinositol-3,4-bisphosphate 4-phosphatase

AlphaFold DB , UniProt , Accession A0A087XNF8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 924 aa.

						>A0A087XNF8_POEFO|A0A087XNF8
MHHKGLSSHLSLSSSSSSLDLLSLPPLGSPFLPPFLCEACNDLAASGRDRKPNALVQVAVIDPQKQQLVFHACTEIVEANKDPLFLTGVTFPSEYPDSQDSLVKLTVYDAKNKSQESSSFLGSATFSIGDLLRAKDGRLTLSLRSSDGVCPAGTVLVSRLKMGEMEEADHIATDSSSQKCPLVCEPADQPCIDREDYALTGPVFRNPVCKVYRFQTVDSKWMLVREQMEECTLSFTIPKQLLSLYIQEDRSRVQDLEELGELSPHWDNLRKEVVTRYGGIIGSYQETLAELEKISGSFKPSCCKAQKSLEFIPINLHTQRMRVTCPQKTDALYDIITVGAPAAHFQGFKCGGLQRLLSRYEAEKKSFSTAYQCIYYSPQHTAKAQEVLSTVSLLQPLITSLADQLLQAALEHSSSGLKDALKSLSDKTEQFVHTLKDELVKSALLALHAARPGYVSKSQKQTPVLCHQQSQGGDLNHSPVQGLPGHSPVTESPVACNNVKGGDSGSLKHQDSIPHHKEYDEEEWDRVWANVAKCLNCVIAMVDKLLEGDNSKPEPAPEQQLADVITSHNPGDWREQLSPLVTRLKECVLEVVEKAKRAMTFVLLQEAACSIPQGLHLQQRRDVVFSQALAALACGFVMRLYAGLQDKDFLRQLHLVGLVAQFESLLSTYSEEIGMLEDMETGISDLQRVTFKITEAKADDLSDLQPSVCGRRDHFTVEVPLPQVIFQTLPEEIKEGRPLRVFPVLFNVGINEQQTIAERFGDISLQERINQKNFEILEAYYKTLREKVPLECLPCFQTQTDIKELLETLGQNVVTKKRKNVEILWLAGTICRRLNGIRFTSCKSAKDRTSMSVTLEQCALLRDEHQLSKDFFVRALDCMRREGCRIENVQKNIRCRKYAFNMLQLMAFPKCYRPPDGTYGKVDS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.3	Very low	26	Very low	232 Å²	232	148.5 Å²	148.5	100%	1.143	81%	0.809	S	S	*	*				0	125.5	0	-75.6	172.1	164.8	0	0	107.9
2	H	28.3	Very low	26	Very low	165 Å²	165	151.2 Å²	151.2	76%	0.764	82%	0.82	S	S	*	*			trans	49.1	158.2	166.2	-58.5	-52	0	0	0	119.2
3	H	26.3	Very low	25.7	Very low	149 Å²	149	148.5 Å²	148.5	69%	0.69	82%	0.82	S	S	*	*			cis	-177.6	144.1	-30.8	-96.7	-15.3	0	0	0	105.3
4	K	27.1	Very low	25.8	Very low	186 Å²	186	146.7 Å²	146.7	81%	0.809	82%	0.823	S	S	*	*			cis	-145.4	176.8	1	-94.5	163.4	-175.9	177.1	0	106.3
5	G	25.7	Very low	25.6	Very low	63 Å²	63	144 Å²	144	65%	0.649	82%	0.818	S	S	*	*			cis	101.3	73.7	12.8	0	0	0	0	0	113.1
6	L	26.4	Very low	26.1	Very low	176 Å²	176	143 Å²	143	92%	0.921	82%	0.822	S	S	*	*			trans	-158.5	130.7	163.6	-112.2	152.7	0	0	0	111.4
7	S	26.1	Very low	25.9	Very low	106 Å²	106	140.2 Å²	140.2	74%	0.741	81%	0.814	S	S	*	*			trans	-130.2	141.1	175.3	165.5	0	0	0	0	107.9
8	S	25.8	Very low	25.9	Very low	111 Å²	111	138.7 Å²	138.7	78%	0.776	81%	0.812	S	S	*	*			trans	-159.9	132.8	161	53.6	0	0	0	0	111.4
9	H	25.3	Very low	25.7	Very low	178 Å²	178	139.2 Å²	139.2	82%	0.824	81%	0.81	S	S	*	*			trans	-62.5	159	179.7	-67.6	-107.7	0	0	0	114.3
10	L	24.7	Very low	25.7	Very low	164 Å²	164	140.2 Å²	140.2	86%	0.859	81%	0.812	S	S	*	*				-172.2	131.1	114.5	-99.9	158.1	0	0	0	114.8
11	S	21	Very low	25.6	Very low	103 Å²	103	140.7 Å²	140.7	72%	0.72	81%	0.811	S	S	*	*			trans	30.5	135.4	149.4	56.3	0	0	0	0	123.7
12	L	26.6	Very low	25.5	Very low	181 Å²	181	138 Å²	138	95%	0.948	80%	0.8	S	S	*	*			trans	-52.6	143.8	165	-66.5	121.7	0	0	0	114.7
13	S	21.9	Very low	25.3	Very low	116 Å²	116	135.8 Å²	135.8	81%	0.811	80%	0.804	S	S	*	*			trans	-145.7	136.4	146.6	60.8	0	0	0	0	110.2
14	S	27.2	Very low	25.1	Very low	124 Å²	124	136.4 Å²	136.4	87%	0.867	81%	0.811	S	S	*	*			trans	-86.7	125.2	-176.2	52.4	0	0	0	0	112.7
15	S	22.7	Very low	24.8	Very low	106 Å²	106	132.1 Å²	132.1	74%	0.741	80%	0.802	S	S	*	*			trans	-150.8	126.4	160	56.1	0	0	0	0	110.4	S17	S15-S17 PolarHBondContact O-N 3.26Å
16	S	32.6	Very low	24.7	Very low	128 Å²	128	135.2 Å²	135.2	90%	0.895	81%	0.811	S	S	*	*			trans	-65.7	122.8	176.3	49.4	0	0	0	0	111.8
17	S	23	Very low	24.7	Very low	96 Å²	96	132.7 Å²	132.7	67%	0.671	80%	0.798	S	S	*	*			trans	-143.8	116.2	162	56.4	0	0	0	0	109	S15 L19	S15-S17 PolarHBondContact O-N 3.26Å; S17-L19 PolarHBondContact O-N 3.4Å
18	S	25.6	Very low	24.8	Very low	112 Å²	112	130.1 Å²	130.1	78%	0.783	79%	0.788	S	S	*	*			trans	-55.2	118.3	167.4	41.8	0	0	0	0	109.4	D20	S18-D20 PolarHBondContact O-N 3.28Å
19	L	23.3	Very low	25.2	Very low	149 Å²	149	128.4 Å²	128.4	78%	0.78	78%	0.776	S	S	*	*			trans	-84.6	106.1	172.7	-92.5	158.2	0	0	0	108.4	S17 L21	S17-L19 PolarHBondContact O-N 3.4Å; L19-L21 PolarHBondContact O-N 3.41Å; L19-L21 VanDerWaalsContact O-N 3.15Å
20	D	26	Very low	25.7	Very low	158 Å²	158	122.7 Å²	122.7	85%	0.845	76%	0.755	S	S	*	*			trans	-58.2	114.4	166.1	-67.5	-50.4	0	0	0	109.1	S18	S18-D20 PolarHBondContact O-N 3.28Å
21	L	23.3	Very low	26.8	Very low	151 Å²	151	117.5 Å²	117.5	79%	0.791	73%	0.726	S	S	*	*			trans	-132.1	44	-177.8	-135.3	157.7	0	0	0	110.9	L19	L19-L21 PolarHBondContact O-N 3.41Å; L19-L21 VanDerWaalsContact O-N 3.15Å
22	L	26.6	Very low	28.1	Very low	175 Å²	175	112.8 Å²	112.8	92%	0.916	69%	0.692	S	S	*	*			trans	-131.3	80.7	170.9	-75.5	176.2	0	0	0	110.4
23	S	23.1	Very low	29.5	Very low	120 Å²	120	105.3 Å²	105.3	84%	0.839	65%	0.654	S	S	*	*			trans	-139.2	55.1	166.4	71.1	0	0	0	0	111
24	L	22.3	Very low	31.4	Very low	162 Å²	162	101.2 Å²	101.2	85%	0.848	63%	0.625	S	S	*	*			trans	-82.4	140.2	158.7	-79.9	164.2	0	0	0	108.3
25	P	20.7	Very low	33.4	Very low	95 Å²	95	95.3 Å²	95.3	62%	0.617	58%	0.584	S	S	*	*			trans	-65.2	145	179	28.1	-34.4	0	0	0	110.5	L27	P25-L27 PolarHBondContact O-N 3.45Å
26	P	25.4	Very low	35.7	Very low	129 Å²	129	90.2 Å²	90.2	84%	0.838	55%	0.548	S	S	*	.			trans	-68.5	104.4	177.8	28.2	-33.9	0	0	0	109.8
27	L	25.1	Very low	37.8	Very low	122 Å²	122	84.1 Å²	84.1	64%	0.639	51%	0.506	S	S	*	.			trans	-64.6	137.1	159.9	-80.8	80.1	0	0	0	107.9	P25 R194	P25-L27 PolarHBondContact O-N 3.45Å; L27-R194 PolarHBondContact O-NE 2.72Å; L27-R194 PolarHBondContact O-NH2 3.11Å; L27-R194 VanDerWaalsContact O-NH2 3.1Å
28	G	28.6	Very low	40.4	Very low	53 Å²	53	80 Å²	80	55%	0.546	48%	0.476	S	S	.	.			trans	-67.9	179.1	180	0	0	0	0	0	113.9	R194	G28-R194 PolarHBondContact O-NE 3.02Å; G28-R194 PolarHBondContact O-NH2 2.77Å
29	S	34.6	Very low	43.2	Very low	74 Å²	74	74.9 Å²	74.9	52%	0.517	44%	0.44	S	S	.	.			trans	-64.4	139.9	157.2	53.5	0	0	0	0	109.1	F31	S29-F31 PolarHBondContact O-N 3.25Å
30	P	34.8	Very low	46.3	Very low	58 Å²	58	67.8 Å²	67.8	38%	0.377	40%	0.403	S	S	.	.	S	Bend	trans	-77.9	38.9	-177.7	36	-38.9	0	0	0	112.6	S93	P30-S93 VanDerWaalsContact O-CA 3.31Å; P30-S93 WeakPolarHBondContact O-CA 3.35Å; P30-S93 WeakPolarHBondContact O-CB 3.37Å
31	F	48.3	Very low	49.3	Very low	56 Å²	56	63 Å²	63	25%	0.246	38%	0.378	C	S	.	.	S	Bend	trans	-145	130.3	-174.2	-58.4	-73.6	0	0	0	109	S29 D97	S29-F31 PolarHBondContact O-N 3.25Å; F31-D97 VanDerWaalsContact C-OD1 3.28Å; F31-D97 PolarHBondContact N-OD1 3.04Å
32	L	49.1	Very low	52.3	Low	3 Å²	3	61.8 Å²	61.8	2%	0.016	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-54.2	137.7	166	-66	175.2	0	0	0	109.8	F91 Y95 D97 I128	L32-F91 HydrophobicContact CB-CB 3.98Å; L32-F91 HydrophobicContact CB-CD2 3.56Å; L32-F91 HydrophobicContact CB-CE2 4.38Å; L32-F91 HydrophobicContact CB-CG 3.98Å; L32-F91 HydrophobicContact CD1-CB 4.28Å; L32-F91 HydrophobicContact CD1-CD1 4.49Å; L32-F91 HydrophobicContact CD1-CD2 4.14Å; L32-F91 HydrophobicContact CD1-CG 4.03Å; L32-F91 HydrophobicContact CG-CD2 4.5Å; L32-Y95 HydrophobicContact CD1-CG 4.49Å; L32-D97 PolarHBondContact N-OD1 2.72Å; L32-I128 HydrophobicContact CD2-CG1 4.32Å; L32-I128 HydrophobicContact CD2-CG2 4.41Å
33	P	55.4	Low	55.1	Low	24 Å²	24	53.5 Å²	53.5	16%	0.156	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-58.9	127	-171.7	25.3	-36.5	0	0	0	110.7	I128 L132	P33-I128 HydrophobicContact CG-CG2 3.53Å; P33-L132 HydrophobicContact CB-CD2 4.17Å; P33-L132 HydrophobicContact CG-CD2 3.86Å; P33-L132 HydrophobicContact CG-CG 4.2Å
34	P	62.3	Low	57.7	Low	30 Å²	30	50.9 Å²	50.9	20%	0.195	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-68.2	150.3	-178.5	27.9	-33.4	0	0	0	111.1	V89 T90 L160	P34-V89 WeakPolarHBondContact CA-O 3.45Å; P34-V89 WeakPolarHBondContact CB-O 3.37Å; P34-T90 HydrophobicContact CB-CG2 3.95Å; P34-L160 HydrophobicContact CB-CD1 4.17Å; P34-L160 HydrophobicContact CG-CB 4.18Å; P34-L160 WeakPolarHBondContact O-CB 3.12Å; P34-L160 PolarHBondContact O-N 2.7Å
35	F	68.4	Low	59.9	Low	0 Å²	0	44.1 Å²	44.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.6	-178.8	69.5	-106.7	0	0	0	112.7	V58 V89 F91 V103 L105 F126 L131 V157 S158	F35-V58 HydrophobicContact CE2-CG1 4.49Å; F35-V58 HydrophobicContact CZ-CG1 3.83Å; F35-V89 HydrophobicContact CD2-CB 4.34Å; F35-V89 HydrophobicContact CE1-CB 4.43Å; F35-V89 HydrophobicContact CE1-CG1 4.5Å; F35-V89 HydrophobicContact CE2-CB 3.96Å; F35-V89 HydrophobicContact CE2-CG2 3.91Å; F35-V89 HydrophobicContact CZ-CB 4Å; F35-V89 HydrophobicContact CZ-CG1 4.2Å; F35-V89 HydrophobicContact CZ-CG2 4.22Å; F35-V89 PolarHBondContact N-O 3.28Å; F35-V89 VanDerWaalsContact N-O 3.09Å; F35-V89 PolarHBondContact O-N 2.9Å; F35-F91 AromaticContact CD1-CE2 4Å; F35-F91 HydrophobicContact CD1-CE2 4Å; F35-F91 HydrophobicContact CD1-CZ 4.44Å; F35-F91 AromaticContact CE1-CE2 3.54Å; F35-F91 HydrophobicContact CE1-CE2 3.54Å; F35-F91 AromaticContact CE1-CZ 3.55Å; F35-F91 HydrophobicContact CE1-CZ 3.55Å; F35-F91 HydrophobicContact CZ-CZ 4.16Å; F35-V103 HydrophobicContact CE1-CG1 3.99Å; F35-V103 HydrophobicContact CE1-CG2 4.29Å; F35-V103 HydrophobicContact CZ-CG1 3.7Å; F35-L105 HydrophobicContact CE2-CD2 4.27Å; F35-L105 HydrophobicContact CZ-CD2 4.35Å; F35-F126 HydrophobicContact CD1-CZ 4.08Å; F35-F126 AromaticContact CE1-CZ 3.71Å; F35-F126 HydrophobicContact CE1-CZ 3.71Å; F35-F126 HydrophobicContact CE2-CZ 4.27Å; F35-F126 HydrophobicContact CG-CZ 4.5Å; F35-F126 HydrophobicContact CZ-CE1 4.36Å; F35-F126 AromaticContact CZ-CZ 3.85Å; F35-F126 HydrophobicContact CZ-CZ 3.85Å; F35-L131 HydrophobicContact CB-CD2 3.58Å; F35-L131 HydrophobicContact CD1-CD2 4.13Å; F35-L131 HydrophobicContact CG-CD2 4.08Å; F35-V157 HydrophobicContact CB-CG1 4.09Å; F35-V157 HydrophobicContact CD2-CG1 3.6Å; F35-V157 HydrophobicContact CE2-CG1 4.22Å; F35-V157 HydrophobicContact CG-CG1 3.94Å; F35-S158 CarbonylContact C-O 3.6Å; F35-S158 WeakPolarHBondContact CA-O 3.35Å; F35-S158 VanDerWaalsContact CB-O 3.23Å; F35-S158 WeakPolarHBondContact CB-O 3.09Å
36	L	70.9	Confident	61.9	Low	0 Å²	0	43.3 Å²	43.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.3	171.8	-148.1	85.9	0	0	0	109.3	E38 V157 S158 R213	L36-E38 VanDerWaalsContact C-N 3.34Å; L36-E38 HydrophobicContact CB-CG 4.28Å; L36-E38 HydrophobicContact CD2-CB 4.45Å; L36-E38 HydrophobicContact CD2-CG 4.08Å; L36-E38 PolarHBondContact O-N 2.79Å; L36-V157 CarbonylContact O-C 3.53Å; L36-V157 WeakPolarHBondContact O-CA 3.35Å; L36-S158 WeakPolarHBondContact CB-OG 3.41Å; L36-S158 PolarHBondContact N-O 2.93Å; L36-S158 PolarHBondContact O-N 3.19Å; L36-R213 HydrophobicContact CD1-CB 4.35Å; L36-R213 HydrophobicContact CD2-CB 4.01Å
37	C	77.6	Confident	63.6	Low	0 Å²	0	39.6 Å²	39.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	88.2	156.5	-65.7	0	0	0	0	106.6	A39 T74 F85 L156	C37-A39 PolarHBondContact O-N 2.83Å; C37-T74 HydrophobicContact CB-CG2 4.19Å; C37-F85 WeakPolarHBondContact O-CB 3.26Å; C37-F85 WeakPolarHBondContact O-CD2 3.43Å; C37-L156 CarbonylContact C-O 3.29Å
38	E	77	Confident	65	Low	9 Å²	9	45.8 Å²	45.8	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-43.8	-170.9	-56.3	-165.2	117.1	0	0	112.6	L36 F85 R138 L156 S158 R213	L36-E38 VanDerWaalsContact C-N 3.34Å; L36-E38 HydrophobicContact CB-CG 4.28Å; L36-E38 HydrophobicContact CD2-CB 4.45Å; L36-E38 HydrophobicContact CD2-CG 4.08Å; L36-E38 PolarHBondContact O-N 2.79Å; E38-F85 PolarHBondContact O-N 3.07Å; E38-R138 IonicContact OE1-CZ 3.7Å; E38-R138 IonicContact OE1-NE 2.71Å; E38-R138 PolarHBondContact OE1-NE 3.5Å; E38-R138 IonicContact OE1-NH2 2.65Å; E38-R138 PolarHBondContact OE1-NH2 3.29Å; E38-R138 IonicContact OE2-CZ 3.91Å; E38-R138 VanDerWaalsContact OE2-CZ 3.3Å; E38-R138 IonicContact OE2-NE 3.15Å; E38-R138 PolarHBondContact OE2-NE 3.09Å; E38-R138 IonicContact OE2-NH2 3.74Å; E38-R138 PolarHBondContact OE2-NH2 3.3Å; E38-R138 VanDerWaalsContact OE2-NH2 3.17Å; E38-L156 HydrophobicContact CB-CB 4.47Å; E38-L156 HydrophobicContact CB-CD2 4.17Å; E38-L156 HydrophobicContact CB-CG 4.12Å; E38-L156 HydrophobicContact CG-CG 4.37Å; E38-L156 PolarHBondContact N-O 2.81Å; E38-L156 WeakPolarHBondContact OE2-CD2 3.33Å; E38-L156 WeakPolarHBondContact OE2-CG 3.24Å; E38-S158 WeakPolarHBondContact CG-OG 3.37Å; E38-S158 PolarHBondContact OE1-OG 3.31Å; E38-R213 IonicContact OE1-CZ 3.73Å; E38-R213 IonicContact OE1-NH1 3.22Å; E38-R213 PolarHBondContact OE1-NH1 3.14Å
39	A	84.5	Confident	66.7	Low	5 Å²	5	50.6 Å²	50.6	4%	0.041	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	157.8	-173.2	0	0	0	0	0	111.6	C37 P83 L84 V155 L156	C37-A39 PolarHBondContact O-N 2.83Å; A39-P83 CarbonylContact C-O 3.53Å; A39-P83 WeakPolarHBondContact CA-O 3.49Å; A39-L84 HydrophobicContact CB-CD2 3.82Å; A39-V155 WeakPolarHBondContact O-CA 3.21Å; A39-L156 HydrophobicContact CB-CB 4.28Å; A39-L156 PolarHBondContact O-N 2.94Å
40	C	88.3	Confident	68.8	Low	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	157.6	145.1	-61.6	0	0	0	0	109.2	L43 D82 P83 T154	C40-L43 HydrophobicContact CB-CD1 3.71Å; C40-L43 HydrophobicContact CB-CD2 3.77Å; C40-L43 HydrophobicContact CB-CG 3.68Å; C40-D82 CarbonylContact O-C 3.58Å; C40-D82 WeakPolarHBondContact O-CA 3.47Å; C40-P83 HydrophobicContact CB-CG 3.75Å; C40-P83 PolarHBondContact N-O 3.28Å; C40-P83 WeakPolarHBondContact O-CD 3.01Å; C40-T154 CarbonylContact C-O 3.56Å; C40-T154 WeakPolarHBondContact CA-O 3.43Å; C40-T154 VanDerWaalsContact CB-O 3.27Å; C40-T154 WeakPolarHBondContact CB-O 3.47Å
41	N	89.4	Confident	71.1	Confident	58 Å²	58	54.1 Å²	54.1	31%	0.31	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.5	170.9	-44.1	-75.5	0	0	0	110	L43 D82 G153 T154	N41-L43 VanDerWaalsContact C-N 3.33Å; N41-L43 PolarHBondContact O-N 3.2Å; N41-D82 WeakPolarHBondContact CA-OD1 3.39Å; N41-G153 CarbonylContact O-C 3.57Å; N41-G153 VanDerWaalsContact O-CA 3.25Å; N41-G153 WeakPolarHBondContact O-CA 3.43Å; N41-T154 PolarHBondContact N-O 3.37Å; N41-T154 PolarHBondContact ND2-OG1 3.45Å; N41-T154 PolarHBondContact O-N 3.47Å
42	D	86.2	Confident	72.8	Confident	125 Å²	125	51.5 Å²	51.5	67%	0.668	28%	0.277	S	S	*	.	S	Bend	trans	55.9	37.7	175.8	-67.6	-55.8	0	0	0	114.9	A44 K81 D82	D42-A44 PolarHBondContact O-N 3.37Å; D42-K81 PolarHBondContact N-O 2.95Å; D42-D82 PolarHBondContact N-OD1 3.44Å
43	L	86	Confident	74.6	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.286	C	S	.	.			trans	-64.3	122.4	178.5	-68.5	-178.4	0	0	0	112.5	C40 N41 A45 P52 A54 K81 P83 V107 L121 L143	C40-L43 HydrophobicContact CB-CD1 3.71Å; C40-L43 HydrophobicContact CB-CD2 3.77Å; C40-L43 HydrophobicContact CB-CG 3.68Å; N41-L43 VanDerWaalsContact C-N 3.33Å; N41-L43 PolarHBondContact O-N 3.2Å; L43-A45 PolarHBondContact O-N 2.95Å; L43-P52 HydrophobicContact CB-CG 3.8Å; L43-P52 HydrophobicContact CD1-CG 4.27Å; L43-A54 HydrophobicContact CD1-CB 3.6Å; L43-K81 WeakPolarHBondContact CB-O 3.41Å; L43-K81 WeakPolarHBondContact CG-O 3.48Å; L43-K81 PolarHBondContact N-O 3.02Å; L43-K81 VanDerWaalsContact N-O 3.08Å; L43-P83 HydrophobicContact CD1-CG 3.75Å; L43-V107 HydrophobicContact CD1-CG1 4.02Å; L43-V107 HydrophobicContact CD2-CG1 4.12Å; L43-L121 HydrophobicContact CD1-CD1 4.32Å; L43-L143 HydrophobicContact CD2-CD1 3.56Å
44	A	76.4	Confident	76	Confident	64 Å²	64	52 Å²	52	53%	0.529	28%	0.279	S	S	.	.			trans	-87.5	103.3	-178.9	0	0	0	0	0	112.3	D42 L121	D42-A44 PolarHBondContact O-N 3.37Å; A44-L121 WeakPolarHBondContact O-CD2 3.41Å
45	A	67.9	Low	77.2	Confident	21 Å²	21	50.9 Å²	50.9	17%	0.174	27%	0.271	C	S	.	.			trans	-83.2	159.5	176.8	0	0	0	0	0	113.4	L43 G47 R50 P52	L43-A45 PolarHBondContact O-N 2.95Å; A45-G47 PolarHBondContact O-N 3.15Å; A45-G47 VanDerWaalsContact O-N 3.12Å; A45-R50 WeakPolarHBondContact CB-O 3.42Å; A45-P52 HydrophobicContact CB-CB 4.02Å; A45-P52 HydrophobicContact CB-CG 4.33Å
46	S	64.3	Low	78.2	Confident	77 Å²	77	50.9 Å²	50.9	54%	0.538	27%	0.271	S	S	.	.	S	Bend	trans	-77.2	96.4	174.7	48.8	0	0	0	0	111.9
47	G	61.3	Low	79	Confident	51 Å²	51	53.2 Å²	53.2	53%	0.526	28%	0.282	S	S	.	.	S	Bend	trans	135.4	146.9	174.6	0	0	0	0	0	112.7	A45 D49	A45-G47 PolarHBondContact O-N 3.15Å; A45-G47 VanDerWaalsContact O-N 3.12Å; G47-D49 PolarHBondContact O-N 2.9Å
48	R	54.2	Low	79.4	Confident	253 Å²	253	53.2 Å²	53.2	96%	0.955	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	132.1	174.7	-70.2	-172.9	177.8	-165.1	-0.7	109.6	R50	R48-R50 PolarHBondContact O-N 2.95Å
49	D	63.2	Low	79.7	Confident	153 Å²	153	52.9 Å²	52.9	82%	0.818	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	3.3	-179.6	-60.7	-34.7	0	0	0	119.1	G47	G47-D49 PolarHBondContact O-N 2.9Å
50	R	79.4	Confident	79.7	Confident	95 Å²	95	52.7 Å²	52.7	36%	0.358	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-70.1	135.6	169.3	-176.9	170.7	170.6	-140.7	-13.4	110.6	A45 R48 D109	A45-R50 WeakPolarHBondContact CB-O 3.42Å; R48-R50 PolarHBondContact O-N 2.95Å; R50-D109 IonicContact CZ-OD2 3.28Å; R50-D109 VanDerWaalsContact CZ-OD2 3.28Å; R50-D109 IonicContact NH1-OD2 3.36Å; R50-D109 PolarHBondContact NH1-OD2 2.79Å; R50-D109 VanDerWaalsContact NH2-CG 3.29Å; R50-D109 IonicContact NH2-OD1 3.08Å; R50-D109 PolarHBondContact NH2-OD1 2.86Å; R50-D109 VanDerWaalsContact NH2-OD1 3.08Å; R50-D109 IonicContact NH2-OD2 2.71Å; R50-D109 PolarHBondContact NH2-OD2 3.08Å
51	K	82.7	Confident	79.2	Confident	112 Å²	112	54.6 Å²	54.6	49%	0.487	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-93.8	141.3	166.5	-58.9	-172.8	175.9	-173.3	0	109.6	A79 K81	K51-A79 VanDerWaalsContact CB-C 3.43Å; K51-A79 HydrophobicContact CB-CB 4.4Å; K51-A79 WeakPolarHBondContact CB-O 3.46Å; K51-A79 WeakPolarHBondContact CD-O 3.5Å; K51-K81 HydrophobicContact CB-CG 4.45Å; K51-K81 HydrophobicContact CG-CG 4.21Å
52	P	84.4	Confident	78.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-77	158.5	-178.7	29.7	-30.3	0	0	0	112.3	L43 A45 A79 N80 D109 L121	L43-P52 HydrophobicContact CB-CG 3.8Å; L43-P52 HydrophobicContact CD1-CG 4.27Å; A45-P52 HydrophobicContact CB-CB 4.02Å; A45-P52 HydrophobicContact CB-CG 4.33Å; P52-A79 CarbonylContact O-C 3.49Å; P52-A79 WeakPolarHBondContact O-CA 3.4Å; P52-A79 PolarHBondContact O-N 3.22Å; P52-A79 VanDerWaalsContact O-N 3.16Å; P52-N80 WeakPolarHBondContact CD-O 3.44Å; P52-N80 WeakPolarHBondContact CG-O 3.43Å; P52-N80 PolarHBondContact O-N 2.91Å; P52-D109 WeakPolarHBondContact CA-OD1 3.32Å; P52-D109 HydrophobicContact CB-CB 4.12Å; P52-L121 HydrophobicContact CB-CD1 3.86Å; P52-L121 HydrophobicContact CG-CD1 4.32Å
53	N	85.8	Confident	77	Confident	39 Å²	39	49.9 Å²	49.9	21%	0.209	27%	0.267	C	S	.	.			trans	-94.8	85.6	164.3	-65.2	-25.2	0	0	0	107.9	I76 V77 E78 A79 D109 A110	N53-I76 HydrophobicContact CB-CG2 4.03Å; N53-V77 CarbonylContact C-O 3.5Å; N53-V77 WeakPolarHBondContact CA-O 3.16Å; N53-E78 WeakPolarHBondContact OD1-CA 3.14Å; N53-A79 PolarHBondContact OD1-N 3.38Å; N53-D109 PolarHBondContact N-OD1 3.33Å; N53-D109 WeakPolarHBondContact O-CA 3.41Å; N53-A110 HydrophobicContact CB-CB 4.35Å; N53-A110 VanDerWaalsContact CB-O 3.3Å; N53-A110 WeakPolarHBondContact CB-O 3.08Å; N53-A110 PolarHBondContact ND2-O 2.92Å; N53-A110 PolarHBondContact O-N 3.42Å
54	A	86.3	Confident	75.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	137.9	-164.7	0	0	0	0	0	112.9	L43 I76 V77 P83 F85 Y108	L43-A54 HydrophobicContact CD1-CB 3.6Å; A54-I76 WeakPolarHBondContact O-CA 3.36Å; A54-V77 PolarHBondContact N-O 3.12Å; A54-V77 PolarHBondContact O-N 3.12Å; A54-P83 HydrophobicContact CB-CB 3.88Å; A54-P83 HydrophobicContact CB-CG 3.59Å; A54-F85 HydrophobicContact CB-CE1 4.4Å; A54-F85 HydrophobicContact CB-CZ 4.09Å; A54-Y108 CarbonylContact C-O 3.6Å; A54-Y108 WeakPolarHBondContact CA-O 3.44Å
55	L	87.6	Confident	75.2	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	128.1	175.5	178.8	65	0	0	0	108.9	C73 T74 I76 V107 Y108 Q115	L55-C73 HydrophobicContact CD1-CB 4.01Å; L55-T74 WeakPolarHBondContact CD1-O 3.34Å; L55-I76 HydrophobicContact CB-CG1 4.34Å; L55-I76 HydrophobicContact CD1-CG1 3.94Å; L55-I76 HydrophobicContact CD2-CG1 4.41Å; L55-I76 HydrophobicContact CG-CG1 4.48Å; L55-V107 CarbonylContact O-C 3.57Å; L55-V107 WeakPolarHBondContact O-CA 3.34Å; L55-Y108 PolarHBondContact N-O 2.76Å; L55-Y108 PolarHBondContact O-N 3.36Å; L55-Q115 HydrophobicContact CD2-CG 4.12Å
56	V	88	Confident	75.1	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111.7	173	-168.3	0	0	0	0	109.7	V58 C73 T74 F85 L105 V107	V56-V58 HydrophobicContact CG1-CG2 4.31Å; V56-C73 CarbonylContact O-C 3.35Å; V56-C73 WeakPolarHBondContact O-CA 3.34Å; V56-T74 HydrophobicContact CB-CG2 3.82Å; V56-T74 HydrophobicContact CG2-CG2 4.28Å; V56-T74 PolarHBondContact N-OG1 2.86Å; V56-T74 PolarHBondContact O-N 3.46Å; V56-F85 HydrophobicContact CG2-CD2 4.26Å; V56-F85 HydrophobicContact CG2-CE1 4.17Å; V56-F85 HydrophobicContact CG2-CE2 3.61Å; V56-F85 HydrophobicContact CG2-CZ 3.55Å; V56-L105 HydrophobicContact CG1-CB 4.11Å; V56-L105 HydrophobicContact CG1-CD2 4.33Å; V56-V107 HydrophobicContact CG1-CG2 4.37Å; V56-V107 HydrophobicContact CG2-CG1 4.49Å; V56-V107 HydrophobicContact CG2-CG2 4.15Å
57	Q	87.6	Confident	75.6	Confident	49 Å²	49	69.5 Å²	69.5	23%	0.229	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.9	166.4	168.3	169.1	-15.2	0	0	109.7	F70 L105 T106 Y108	Q57-F70 HydrophobicContact CG-CD2 3.82Å; Q57-F70 HydrophobicContact CG-CE2 3.85Å; Q57-L105 CarbonylContact O-C 3.53Å; Q57-L105 WeakPolarHBondContact O-CA 3.02Å; Q57-T106 PolarHBondContact N-O 2.89Å; Q57-T106 PolarHBondContact O-N 3.16Å; Q57-Y108 HydrophobicContact CB-CD2 4.2Å; Q57-Y108 HydrophobicContact CB-CE2 3.85Å
58	V	86.1	Confident	76.3	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.9	-179.4	-175.7	0	0	0	0	109.5	F35 V56 H71 A72 V89 V103 L105	F35-V58 HydrophobicContact CE2-CG1 4.49Å; F35-V58 HydrophobicContact CZ-CG1 3.83Å; V56-V58 HydrophobicContact CG1-CG2 4.31Å; V58-H71 PolarHBondContact O-N 3.16Å; V58-A72 HydrophobicContact CB-CB 4.49Å; V58-A72 PolarHBondContact N-O 2.87Å; V58-A72 PolarHBondContact O-N 3.2Å; V58-A72 VanDerWaalsContact O-N 3.09Å; V58-V89 HydrophobicContact CB-CG2 4.26Å; V58-V89 HydrophobicContact CG1-CG1 4.12Å; V58-V89 HydrophobicContact CG1-CG2 4.28Å; V58-V89 HydrophobicContact CG2-CG2 3.89Å; V58-V103 HydrophobicContact CG1-CG1 3.82Å; V58-L105 HydrophobicContact CB-CD2 4.17Å; V58-L105 HydrophobicContact CG1-CD2 3.9Å; V58-L105 HydrophobicContact CG2-CD2 3.52Å
59	A	85.1	Confident	77.3	Confident	2 Å²	2	61.1 Å²	61.1	2%	0.017	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.1	-179.9	0	0	0	0	0	110.7	L68 V69 K104	A59-L68 HydrophobicContact CB-CD1 3.64Å; A59-L68 HydrophobicContact CB-CD2 4.14Å; A59-L68 HydrophobicContact CB-CG 3.7Å; A59-V69 CarbonylContact C-O 3.53Å; A59-V69 WeakPolarHBondContact CA-O 3.27Å; A59-V69 VanDerWaalsContact CB-O 3.24Å; A59-V69 WeakPolarHBondContact CB-O 3.26Å; A59-K104 PolarHBondContact N-O 3.44Å; A59-K104 PolarHBondContact O-N 2.84Å
60	V	83.1	Confident	78	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.8	175.5	-173.1	0	0	0	0	108.7	V69 F91 Y95	V60-V69 PolarHBondContact N-O 3.14Å; V60-V69 PolarHBondContact O-N 2.92Å; V60-F91 HydrophobicContact CG2-CD1 3.76Å; V60-F91 HydrophobicContact CG2-CE1 3.28Å; V60-F91 HydrophobicContact CG2-CZ 4.17Å; V60-Y95 HydrophobicContact CB-CE1 3.85Å; V60-Y95 HydrophobicContact CG1-CD1 4.04Å; V60-Y95 HydrophobicContact CG1-CE1 3.77Å; V60-Y95 HydrophobicContact CG2-CE1 4.15Å
61	I	79.3	Confident	77.6	Confident	40 Å²	40	56.4 Å²	56.4	21%	0.205	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	110.5	168.2	-54.2	177.9	0	0	0	106.8	P63 L68 L102 T125	I61-P63 WeakPolarHBondContact O-CD 3.49Å; I61-L68 HydrophobicContact CG1-CD1 3.8Å; I61-L102 HydrophobicContact CB-CB 4.19Å; I61-L102 HydrophobicContact CD1-CB 3.98Å; I61-L102 HydrophobicContact CD1-CD1 4.33Å; I61-L102 HydrophobicContact CG1-CB 4.29Å; I61-L102 PolarHBondContact N-O 3.05Å; I61-T125 HydrophobicContact CD1-CG2 4.34Å
62	D	67.5	Low	77.2	Confident	20 Å²	20	52 Å²	52	11%	0.107	26%	0.257	C	S	.	.			trans	-61.5	115.9	175.7	179.4	-30.9	0	0	0	108.6	Q64 K65 Q66 Q67 V69	D62-Q64 VanDerWaalsContact C-N 3.27Å; D62-Q64 PolarHBondContact O-N 3.35Å; D62-Q64 WeakPolarHBondContact OD1-CA 3.45Å; D62-Q64 WeakPolarHBondContact OD1-CB 3.42Å; D62-Q64 PolarHBondContact OD1-N 3.2Å; D62-K65 HydrophobicContact CB-CB 4.2Å; D62-K65 PolarHBondContact O-N 3.28Å; D62-K65 PolarHBondContact OD1-N 3.15Å; D62-K65 WeakPolarHBondContact OD2-CD 3.41Å; D62-K65 VanDerWaalsContact OD2-CG 3.32Å; D62-K65 WeakPolarHBondContact OD2-CG 3.49Å; D62-K65 IonicContact OD2-NZ 2.7Å; D62-K65 PolarHBondContact OD2-NZ 2.91Å; D62-Q66 VanDerWaalsContact O-CA 3.25Å; D62-Q66 WeakPolarHBondContact O-CA 3.22Å; D62-Q66 PolarHBondContact O-N 3.39Å; D62-Q67 PolarHBondContact N-O 3.05Å; D62-V69 HydrophobicContact CB-CG2 4.31Å
63	P	60.7	Low	76.9	Confident	63 Å²	63	53.1 Å²	53.1	41%	0.409	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-25.6	-175.6	27.2	-33.7	0	0	0	112.7	I61 Q66	I61-P63 WeakPolarHBondContact O-CD 3.49Å; P63-Q66 PolarHBondContact O-NE2 3.25Å; P63-Q66 VanDerWaalsContact O-NE2 3.12Å
64	Q	60.8	Low	76.7	Confident	166 Å²	166	51.3 Å²	51.3	78%	0.776	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-36.5	179.2	-60	-176	-5.6	0	0	112.2	D62	D62-Q64 VanDerWaalsContact C-N 3.27Å; D62-Q64 PolarHBondContact O-N 3.35Å; D62-Q64 WeakPolarHBondContact OD1-CA 3.45Å; D62-Q64 WeakPolarHBondContact OD1-CB 3.42Å; D62-Q64 PolarHBondContact OD1-N 3.2Å
65	K	63.7	Low	76.4	Confident	139 Å²	139	52.3 Å²	52.3	60%	0.604	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-9.4	-176.6	-56	-170.3	-159.8	88.8	0	114.5	D62 Q67	D62-K65 HydrophobicContact CB-CB 4.2Å; D62-K65 PolarHBondContact O-N 3.28Å; D62-K65 PolarHBondContact OD1-N 3.15Å; D62-K65 WeakPolarHBondContact OD2-CD 3.41Å; D62-K65 VanDerWaalsContact OD2-CG 3.32Å; D62-K65 WeakPolarHBondContact OD2-CG 3.49Å; D62-K65 IonicContact OD2-NZ 2.7Å; D62-K65 PolarHBondContact OD2-NZ 2.91Å; K65-Q67 HydrophobicContact CB-CB 4.27Å; K65-Q67 PolarHBondContact O-N 3.04Å; K65-Q67 VanDerWaalsContact O-N 3.09Å
66	Q	65.3	Low	76.1	Confident	148 Å²	148	54.2 Å²	54.2	69%	0.692	27%	0.269	S	S	*	.			trans	51.9	27.5	-173.1	-64	-67	-49.2	0	0	113.3	D62 P63	D62-Q66 VanDerWaalsContact O-CA 3.25Å; D62-Q66 WeakPolarHBondContact O-CA 3.22Å; D62-Q66 PolarHBondContact O-N 3.39Å; P63-Q66 PolarHBondContact O-NE2 3.25Å; P63-Q66 VanDerWaalsContact O-NE2 3.12Å
67	Q	74.9	Confident	75.7	Confident	123 Å²	123	55.3 Å²	55.3	58%	0.575	28%	0.276	S	S	*	.			trans	-107.2	139.3	-177	-172.2	174.1	3.1	0	0	110.4	D62 K65 V69	D62-Q67 PolarHBondContact N-O 3.05Å; K65-Q67 HydrophobicContact CB-CB 4.27Å; K65-Q67 PolarHBondContact O-N 3.04Å; K65-Q67 VanDerWaalsContact O-N 3.09Å; Q67-V69 PolarHBondContact O-N 3.47Å
68	L	76.4	Confident	75.5	Confident	80 Å²	80	58.7 Å²	58.7	42%	0.419	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	113.3	173.4	-168.8	73.3	0	0	0	109.9	A59 I61 K104	A59-L68 HydrophobicContact CB-CD1 3.64Å; A59-L68 HydrophobicContact CB-CD2 4.14Å; A59-L68 HydrophobicContact CB-CG 3.7Å; I61-L68 HydrophobicContact CG1-CD1 3.8Å; L68-K104 HydrophobicContact CD1-CB 3.97Å; L68-K104 HydrophobicContact CD1-CD 4.15Å; L68-K104 HydrophobicContact CD2-CD 4.27Å
69	V	75.3	Confident	75.3	Confident	48 Å²	48	61.4 Å²	61.4	29%	0.291	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	115.5	177.2	-174.3	0	0	0	0	108.9	A59 V60 D62 Q67 H71 Y95	A59-V69 CarbonylContact C-O 3.53Å; A59-V69 WeakPolarHBondContact CA-O 3.27Å; A59-V69 VanDerWaalsContact CB-O 3.24Å; A59-V69 WeakPolarHBondContact CB-O 3.26Å; V60-V69 PolarHBondContact N-O 3.14Å; V60-V69 PolarHBondContact O-N 2.92Å; D62-V69 HydrophobicContact CB-CG2 4.31Å; Q67-V69 PolarHBondContact O-N 3.47Å; V69-H71 PolarHBondContact O-N 3.03Å; V69-Y95 WeakPolarHBondContact CG1-OH 3.28Å
70	F	77.2	Confident	75.2	Confident	102 Å²	102	63.6 Å²	63.6	45%	0.447	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	134.5	172.3	170.1	-98.8	0	0	0	110.2	Q57 A72	Q57-F70 HydrophobicContact CG-CD2 3.82Å; Q57-F70 HydrophobicContact CG-CE2 3.85Å; F70-A72 WeakPolarHBondContact CE2-O 3.49Å
71	H	72.8	Confident	75.2	Confident	46 Å²	46	67.3 Å²	67.3	21%	0.213	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-54.3	-174.6	-173.1	47.8	0	0	0	113.4	V58 V69 T90 F91	V58-H71 PolarHBondContact O-N 3.16Å; V69-H71 PolarHBondContact O-N 3.03Å; H71-T90 PolarHBondContact CE1-O 3.01Å; H71-T90 PolarHBondContact NE2-O 2.85Å; H71-F91 AromaticContact CD2-CD1 3.44Å; H71-F91 VanDerWaalsContact CD2-CD1 3.44Å; H71-F91 WeakPolarHBondContact CD2-CD1 3.43Å; H71-F91 AromaticContact CD2-CE1 3.38Å; H71-F91 WeakPolarHBondContact CD2-CE1 3.23Å; H71-F91 AromaticContact NE2-CD1 3.58Å; H71-F91 AromaticContact NE2-CE1 3.98Å
72	A	72.9	Confident	75.5	Confident	20 Å²	20	68.8 Å²	68.8	17%	0.165	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	164.5	-176.9	0	0	0	0	0	112.4	V58 F70 V89	V58-A72 HydrophobicContact CB-CB 4.49Å; V58-A72 PolarHBondContact N-O 2.87Å; V58-A72 PolarHBondContact O-N 3.2Å; V58-A72 VanDerWaalsContact O-N 3.09Å; F70-A72 WeakPolarHBondContact CE2-O 3.49Å; A72-V89 HydrophobicContact CB-CG1 4.26Å; A72-V89 HydrophobicContact CB-CG2 4.29Å
73	C	78.5	Confident	76.3	Confident	23 Å²	23	67.9 Å²	67.9	16%	0.155	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154	162.2	-77.1	0	0	0	0	108.5	L55 V56	L55-C73 HydrophobicContact CD1-CB 4.01Å; V56-C73 CarbonylContact O-C 3.35Å; V56-C73 WeakPolarHBondContact O-CA 3.34Å
74	T	82.4	Confident	77.3	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.006	35%	0.348	C	S	.	.			trans	-72.8	178.1	163.1	61.7	0	0	0	0	111.4	C37 L55 V56 F85 T87	C37-T74 HydrophobicContact CB-CG2 4.19Å; L55-T74 WeakPolarHBondContact CD1-O 3.34Å; V56-T74 HydrophobicContact CB-CG2 3.82Å; V56-T74 HydrophobicContact CG2-CG2 4.28Å; V56-T74 PolarHBondContact N-OG1 2.86Å; V56-T74 PolarHBondContact O-N 3.46Å; T74-F85 HydrophobicContact CG2-CB 4.05Å; T74-F85 HydrophobicContact CG2-CD1 4.01Å; T74-F85 HydrophobicContact CG2-CG 3.95Å; T74-F85 VanDerWaalsContact OG1-CD1 3.27Å; T74-F85 WeakPolarHBondContact OG1-CD1 3.36Å; T74-F85 WeakPolarHBondContact OG1-CE1 3.45Å; T74-T87 WeakPolarHBondContact CA-OG1 3.21Å; T74-T87 WeakPolarHBondContact CB-OG1 3.42Å
75	E	78.1	Confident	78.3	Confident	21 Å²	21	61.3 Å²	61.3	10%	0.098	31%	0.311	C	S	.	.			trans	-67.4	164.3	158.8	81.6	-82.4	-157.5	0	0	111.7	V77 L86 T87	E75-V77 HydrophobicContact CG-CG2 4.43Å; E75-L86 WeakPolarHBondContact OE1-CB 3.49Å; E75-L86 VanDerWaalsContact OE1-CG 3.22Å; E75-L86 WeakPolarHBondContact OE1-CG 3.37Å; E75-L86 PolarHBondContact OE1-N 3.22Å; E75-L86 PolarHBondContact OE2-N 2.95Å; E75-T87 PolarHBondContact OE2-N 3.48Å; E75-T87 PolarHBondContact OE2-OG1 3.05Å
76	I	82.3	Confident	78.8	Confident	47 Å²	47	55 Å²	55	24%	0.241	28%	0.284	C	S	.	.			trans	-85.1	121.2	171.8	-58.5	170.3	0	0	0	108.8	N53 A54 L55 E78 A110	N53-I76 HydrophobicContact CB-CG2 4.03Å; A54-I76 WeakPolarHBondContact O-CA 3.36Å; L55-I76 HydrophobicContact CB-CG1 4.34Å; L55-I76 HydrophobicContact CD1-CG1 3.94Å; L55-I76 HydrophobicContact CD2-CG1 4.41Å; L55-I76 HydrophobicContact CG-CG1 4.48Å; I76-E78 HydrophobicContact CG2-CG 4.33Å; I76-A110 HydrophobicContact CD1-CB 3.86Å; I76-A110 HydrophobicContact CG1-CB 4.31Å; I76-A110 HydrophobicContact CG2-CB 4.18Å
77	V	80.6	Confident	79.1	Confident	23 Å²	23	48.4 Å²	48.4	14%	0.139	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-98	104	172.5	-177.3	0	0	0	0	108.6	N53 A54 E75 N80 P83 F85	N53-V77 CarbonylContact C-O 3.5Å; N53-V77 WeakPolarHBondContact CA-O 3.16Å; A54-V77 PolarHBondContact N-O 3.12Å; A54-V77 PolarHBondContact O-N 3.12Å; E75-V77 HydrophobicContact CG-CG2 4.43Å; V77-N80 HydrophobicContact CG1-CB 4.07Å; V77-P83 HydrophobicContact CB-CB 3.64Å; V77-P83 HydrophobicContact CG1-CB 3.68Å; V77-P83 HydrophobicContact CG2-CB 4.03Å; V77-F85 HydrophobicContact CB-CE1 4.35Å; V77-F85 HydrophobicContact CG2-CD1 3.62Å; V77-F85 HydrophobicContact CG2-CE1 3.75Å; V77-F85 HydrophobicContact CG2-CG 4.46Å
78	E	83.3	Confident	78.6	Confident	119 Å²	119	43.1 Å²	43.1	56%	0.556	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	140.3	-174.2	-64.7	-177.3	173.2	0	0	112.5	N53 I76 N80 K113	N53-E78 WeakPolarHBondContact OD1-CA 3.14Å; I76-E78 HydrophobicContact CG2-CG 4.33Å; E78-N80 PolarHBondContact O-N 3.12Å; E78-K113 WeakPolarHBondContact OE1-CE 3.35Å
79	A	81.6	Confident	78.4	Confident	58 Å²	58	39.5 Å²	39.5	48%	0.479	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	45.1	172.1	0	0	0	0	0	116.2	K51 P52 N53	K51-A79 VanDerWaalsContact CB-C 3.43Å; K51-A79 HydrophobicContact CB-CB 4.4Å; K51-A79 WeakPolarHBondContact CB-O 3.46Å; K51-A79 WeakPolarHBondContact CD-O 3.5Å; P52-A79 CarbonylContact O-C 3.49Å; P52-A79 WeakPolarHBondContact O-CA 3.4Å; P52-A79 PolarHBondContact O-N 3.22Å; P52-A79 VanDerWaalsContact O-N 3.16Å; N53-A79 PolarHBondContact OD1-N 3.38Å
80	N	81.8	Confident	77.8	Confident	48 Å²	48	38.4 Å²	38.4	26%	0.257	21%	0.207	S	C	.	.			trans	-133.5	133.6	177.7	-165	3.9	0	0	0	112.6	P52 V77 E78 D82	P52-N80 WeakPolarHBondContact CD-O 3.44Å; P52-N80 WeakPolarHBondContact CG-O 3.43Å; P52-N80 PolarHBondContact O-N 2.91Å; V77-N80 HydrophobicContact CG1-CB 4.07Å; E78-N80 PolarHBondContact O-N 3.12Å; N80-D82 PolarHBondContact ND2-O 2.93Å; N80-D82 PolarHBondContact OD1-N 3.46Å
81	K	84	Confident	77.1	Confident	79 Å²	79	34 Å²	34	34%	0.343	19%	0.188	S	C	.	.	S	Bend	trans	-80.9	-24.3	173.5	-69.7	-173.7	178.2	-178.4	0	112.3	D42 L43 K51 P83	D42-K81 PolarHBondContact N-O 2.95Å; L43-K81 WeakPolarHBondContact CB-O 3.41Å; L43-K81 WeakPolarHBondContact CG-O 3.48Å; L43-K81 PolarHBondContact N-O 3.02Å; L43-K81 VanDerWaalsContact N-O 3.08Å; K51-K81 HydrophobicContact CB-CG 4.45Å; K51-K81 HydrophobicContact CG-CG 4.21Å; K81-P83 WeakPolarHBondContact O-CD 3.46Å
82	D	86.1	Confident	76.1	Confident	71 Å²	71	34.1 Å²	34.1	38%	0.38	19%	0.193	S	C	.	.	S	Bend	trans	-121	60.5	-176.6	-46	-67.8	0	0	0	109.1	C40 N41 D42 N80	C40-D82 CarbonylContact O-C 3.58Å; C40-D82 WeakPolarHBondContact O-CA 3.47Å; N41-D82 WeakPolarHBondContact CA-OD1 3.39Å; D42-D82 PolarHBondContact N-OD1 3.44Å; N80-D82 PolarHBondContact ND2-O 2.93Å; N80-D82 PolarHBondContact OD1-N 3.46Å
83	P	84.6	Confident	74.9	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-67.5	132.7	-174.4	31.4	-39.1	0	0	0	111	A39 C40 L43 A54 V77 K81 F85	A39-P83 CarbonylContact C-O 3.53Å; A39-P83 WeakPolarHBondContact CA-O 3.49Å; C40-P83 HydrophobicContact CB-CG 3.75Å; C40-P83 PolarHBondContact N-O 3.28Å; C40-P83 WeakPolarHBondContact O-CD 3.01Å; L43-P83 HydrophobicContact CD1-CG 3.75Å; A54-P83 HydrophobicContact CB-CB 3.88Å; A54-P83 HydrophobicContact CB-CG 3.59Å; V77-P83 HydrophobicContact CB-CB 3.64Å; V77-P83 HydrophobicContact CG1-CB 3.68Å; V77-P83 HydrophobicContact CG2-CB 4.03Å; K81-P83 WeakPolarHBondContact O-CD 3.46Å; P83-F85 HydrophobicContact CB-CE1 4.11Å; P83-F85 HydrophobicContact CB-CE2 4.05Å; P83-F85 HydrophobicContact CB-CZ 3.66Å; P83-F85 HydrophobicContact CG-CE1 4.41Å; P83-F85 HydrophobicContact CG-CE2 3.77Å; P83-F85 HydrophobicContact CG-CZ 3.51Å
84	L	81.2	Confident	73.6	Confident	90 Å²	90	43.2 Å²	43.2	47%	0.471	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-99.4	123	167.2	-65.7	174.5	0	0	0	108.4	A39	A39-L84 HydrophobicContact CB-CD2 3.82Å
85	F	82.1	Confident	72.3	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.009	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-99.2	143.2	179.8	-50.5	-85.3	0	0	0	110.8	C37 E38 A54 V56 T74 V77 P83	C37-F85 WeakPolarHBondContact O-CB 3.26Å; C37-F85 WeakPolarHBondContact O-CD2 3.43Å; E38-F85 PolarHBondContact O-N 3.07Å; A54-F85 HydrophobicContact CB-CE1 4.4Å; A54-F85 HydrophobicContact CB-CZ 4.09Å; V56-F85 HydrophobicContact CG2-CD2 4.26Å; V56-F85 HydrophobicContact CG2-CE1 4.17Å; V56-F85 HydrophobicContact CG2-CE2 3.61Å; V56-F85 HydrophobicContact CG2-CZ 3.55Å; T74-F85 HydrophobicContact CG2-CB 4.05Å; T74-F85 HydrophobicContact CG2-CD1 4.01Å; T74-F85 HydrophobicContact CG2-CG 3.95Å; T74-F85 VanDerWaalsContact OG1-CD1 3.27Å; T74-F85 WeakPolarHBondContact OG1-CD1 3.36Å; T74-F85 WeakPolarHBondContact OG1-CE1 3.45Å; V77-F85 HydrophobicContact CB-CE1 4.35Å; V77-F85 HydrophobicContact CG2-CD1 3.62Å; V77-F85 HydrophobicContact CG2-CE1 3.75Å; V77-F85 HydrophobicContact CG2-CG 4.46Å; P83-F85 HydrophobicContact CB-CE1 4.11Å; P83-F85 HydrophobicContact CB-CE2 4.05Å; P83-F85 HydrophobicContact CB-CZ 3.66Å; P83-F85 HydrophobicContact CG-CE1 4.41Å; P83-F85 HydrophobicContact CG-CE2 3.77Å; P83-F85 HydrophobicContact CG-CZ 3.51Å
86	L	73.5	Confident	71	Confident	7 Å²	7	47.3 Å²	47.3	4%	0.037	26%	0.259	C	S	.	.			trans	-92.4	-31.5	-179.1	-56	173	0	0	0	110.8	E75 Y212 R213 F214 W221	E75-L86 WeakPolarHBondContact OE1-CB 3.49Å; E75-L86 VanDerWaalsContact OE1-CG 3.22Å; E75-L86 WeakPolarHBondContact OE1-CG 3.37Å; E75-L86 PolarHBondContact OE1-N 3.22Å; E75-L86 PolarHBondContact OE2-N 2.95Å; L86-Y212 CarbonylContact O-C 3.43Å; L86-Y212 WeakPolarHBondContact O-CA 3.4Å; L86-R213 WeakPolarHBondContact CD2-O 3.16Å; L86-R213 PolarHBondContact O-N 2.94Å; L86-F214 HydrophobicContact CB-CE1 4.38Å; L86-F214 HydrophobicContact CD1-CD1 4.36Å; L86-F214 HydrophobicContact CD1-CE1 4.23Å; L86-F214 HydrophobicContact CD2-CD1 4.45Å; L86-W221 HydrophobicContact CD2-CZ3 4.29Å
87	T	71.2	Confident	69.7	Low	9 Å²	9	49.3 Å²	49.3	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	137	-176.5	55.3	0	0	0	0	114.1	T74 E75 Y212 E882	T74-T87 WeakPolarHBondContact CA-OG1 3.21Å; T74-T87 WeakPolarHBondContact CB-OG1 3.42Å; E75-T87 PolarHBondContact OE2-N 3.48Å; E75-T87 PolarHBondContact OE2-OG1 3.05Å; T87-Y212 HydrophobicContact CG2-CD1 4.46Å; T87-E882 HydrophobicContact CG2-CB 4.33Å; T87-E882 HydrophobicContact CG2-CG 4.46Å
88	G	65.8	Low	68.8	Low	12 Å²	12	50.2 Å²	50.2	12%	0.124	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	165.8	166.6	0	0	0	0	0	113.9	V211	G88-V211 PolarHBondContact N-O 3.25Å
89	V	70.3	Confident	68.1	Low	4 Å²	4	49.6 Å²	49.6	2%	0.024	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.9	179.4	-175.2	0	0	0	0	110	P34 F35 V58 A72 F91	P34-V89 WeakPolarHBondContact CA-O 3.45Å; P34-V89 WeakPolarHBondContact CB-O 3.37Å; F35-V89 HydrophobicContact CD2-CB 4.34Å; F35-V89 HydrophobicContact CE1-CB 4.43Å; F35-V89 HydrophobicContact CE1-CG1 4.5Å; F35-V89 HydrophobicContact CE2-CB 3.96Å; F35-V89 HydrophobicContact CE2-CG2 3.91Å; F35-V89 HydrophobicContact CZ-CB 4Å; F35-V89 HydrophobicContact CZ-CG1 4.2Å; F35-V89 HydrophobicContact CZ-CG2 4.22Å; F35-V89 PolarHBondContact N-O 3.28Å; F35-V89 VanDerWaalsContact N-O 3.09Å; F35-V89 PolarHBondContact O-N 2.9Å; V58-V89 HydrophobicContact CB-CG2 4.26Å; V58-V89 HydrophobicContact CG1-CG1 4.12Å; V58-V89 HydrophobicContact CG1-CG2 4.28Å; V58-V89 HydrophobicContact CG2-CG2 3.89Å; A72-V89 HydrophobicContact CB-CG1 4.26Å; A72-V89 HydrophobicContact CB-CG2 4.29Å; V89-F91 HydrophobicContact CG1-CE1 4.12Å; V89-F91 HydrophobicContact CG1-CE2 4.3Å; V89-F91 HydrophobicContact CG1-CZ 3.88Å
90	T	62.7	Low	67.5	Low	24 Å²	24	52.8 Å²	52.8	15%	0.147	28%	0.284	C	S	.	.			trans	-124.9	133.3	176.1	54.5	0	0	0	0	109	P34 H71 C209 V211	P34-T90 HydrophobicContact CB-CG2 3.95Å; H71-T90 PolarHBondContact CE1-O 3.01Å; H71-T90 PolarHBondContact NE2-O 2.85Å; T90-C209 HydrophobicContact CG2-CB 4.34Å; T90-C209 PolarHBondContact OG1-O 3.06Å; T90-V211 HydrophobicContact CG2-CB 4.43Å; T90-V211 HydrophobicContact CG2-CG2 3.55Å
91	F	62.6	Low	67.3	Low	9 Å²	9	50.7 Å²	50.7	4%	0.039	27%	0.273	C	S	.	.			trans	-92.6	150.4	-179.2	-62.1	-76.3	0	0	0	112.4	L32 F35 V60 H71 V89 V103 I128	L32-F91 HydrophobicContact CB-CB 3.98Å; L32-F91 HydrophobicContact CB-CD2 3.56Å; L32-F91 HydrophobicContact CB-CE2 4.38Å; L32-F91 HydrophobicContact CB-CG 3.98Å; L32-F91 HydrophobicContact CD1-CB 4.28Å; L32-F91 HydrophobicContact CD1-CD1 4.49Å; L32-F91 HydrophobicContact CD1-CD2 4.14Å; L32-F91 HydrophobicContact CD1-CG 4.03Å; L32-F91 HydrophobicContact CG-CD2 4.5Å; F35-F91 AromaticContact CD1-CE2 4Å; F35-F91 HydrophobicContact CD1-CE2 4Å; F35-F91 HydrophobicContact CD1-CZ 4.44Å; F35-F91 AromaticContact CE1-CE2 3.54Å; F35-F91 HydrophobicContact CE1-CE2 3.54Å; F35-F91 AromaticContact CE1-CZ 3.55Å; F35-F91 HydrophobicContact CE1-CZ 3.55Å; F35-F91 HydrophobicContact CZ-CZ 4.16Å; V60-F91 HydrophobicContact CG2-CD1 3.76Å; V60-F91 HydrophobicContact CG2-CE1 3.28Å; V60-F91 HydrophobicContact CG2-CZ 4.17Å; H71-F91 AromaticContact CD2-CD1 3.44Å; H71-F91 VanDerWaalsContact CD2-CD1 3.44Å; H71-F91 WeakPolarHBondContact CD2-CD1 3.43Å; H71-F91 AromaticContact CD2-CE1 3.38Å; H71-F91 WeakPolarHBondContact CD2-CE1 3.23Å; H71-F91 AromaticContact NE2-CD1 3.58Å; H71-F91 AromaticContact NE2-CE1 3.98Å; V89-F91 HydrophobicContact CG1-CE1 4.12Å; V89-F91 HydrophobicContact CG1-CE2 4.3Å; V89-F91 HydrophobicContact CG1-CZ 3.88Å; F91-V103 HydrophobicContact CZ-CG2 4.05Å; F91-I128 HydrophobicContact CE2-CD1 4.33Å
92	P	52.8	Low	67.4	Low	49 Å²	49	50.4 Å²	50.4	32%	0.318	28%	0.275	S	S	.	.			trans	-69.5	157	172	-12.9	29.2	0	0	0	111.2	E94 Y95	P92-E94 PolarHBondContact O-N 2.98Å; P92-Y95 HydrophobicContact CG-CD2 4.32Å; P92-Y95 HydrophobicContact CG-CE2 4.15Å; P92-Y95 PolarHBondContact O-N 3.35Å
93	S	47.8	Very low	67.4	Low	60 Å²	60	47 Å²	47	42%	0.42	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	0.5	176.5	56.3	0	0	0	0	115.1	P30	P30-S93 VanDerWaalsContact O-CA 3.31Å; P30-S93 WeakPolarHBondContact O-CA 3.35Å; P30-S93 WeakPolarHBondContact O-CB 3.37Å
94	E	50.4	Low	67.7	Low	174 Å²	174	50 Å²	50	81%	0.813	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-12.7	179.3	-64.4	171.2	-167.3	0	0	112.5	P92	P92-E94 PolarHBondContact O-N 2.98Å
95	Y	55.3	Low	68.2	Low	41 Å²	41	45.7 Å²	45.7	16%	0.161	25%	0.248	C	C	.	.	S	Bend	trans	-86.1	132.1	174.7	-74.3	-94.7	0	0	0	110.2	L32 V60 V69 P92	L32-Y95 HydrophobicContact CD1-CG 4.49Å; V60-Y95 HydrophobicContact CB-CE1 3.85Å; V60-Y95 HydrophobicContact CG1-CD1 4.04Å; V60-Y95 HydrophobicContact CG1-CE1 3.77Å; V60-Y95 HydrophobicContact CG2-CE1 4.15Å; V69-Y95 WeakPolarHBondContact CG1-OH 3.28Å; P92-Y95 HydrophobicContact CG-CD2 4.32Å; P92-Y95 HydrophobicContact CG-CE2 4.15Å; P92-Y95 PolarHBondContact O-N 3.35Å
96	P	52	Low	68.6	Low	67 Å²	67	46 Å²	46	44%	0.435	25%	0.249	S	C	.	.			trans	-64.5	140.1	175.4	27.4	-33.8	0	0	0	110.4	S98	P96-S98 PolarHBondContact O-N 3.26Å
97	D	54.8	Low	69.3	Low	90 Å²	90	45.7 Å²	45.7	48%	0.481	25%	0.248	S	C	.	.			trans	-70.5	45.9	176.4	-68.2	-48.8	0	0	0	113.1	F31 L32	F31-D97 VanDerWaalsContact C-OD1 3.28Å; F31-D97 PolarHBondContact N-OD1 3.04Å; L32-D97 PolarHBondContact N-OD1 2.72Å
98	S	62	Low	70.2	Confident	42 Å²	42	47.3 Å²	47.3	29%	0.294	25%	0.253	S	S	.	.			trans	-80.5	122.5	170.2	-179.2	0	0	0	0	109.9	P96 D100 S101	P96-S98 PolarHBondContact O-N 3.26Å; S98-D100 PolarHBondContact O-N 2.97Å; S98-D100 WeakPolarHBondContact OG-CB 3.48Å; S98-D100 PolarHBondContact OG-N 3.27Å; S98-D100 VanDerWaalsContact OG-N 3.16Å; S98-S101 VanDerWaalsContact O-CB 3.29Å; S98-S101 WeakPolarHBondContact O-CB 3.29Å; S98-S101 PolarHBondContact O-N 3.28Å; S98-S101 PolarHBondContact O-OG 2.85Å
99	Q	67.1	Low	71.2	Confident	106 Å²	106	46.8 Å²	46.8	50%	0.495	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.3	170.9	-60.7	-171.5	7.5	0	0	112	S101 I128 G129 L132	Q99-S101 PolarHBondContact O-N 3.05Å; Q99-I128 PolarHBondContact O-N 3.28Å; Q99-G129 PolarHBondContact O-N 2.93Å; Q99-L132 HydrophobicContact CG-CD1 3.87Å
100	D	69.8	Low	71.8	Confident	125 Å²	125	46.7 Å²	46.7	67%	0.668	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-2.3	176.7	-51.8	-44.5	0	0	0	113.1	S98 L102	S98-D100 PolarHBondContact O-N 2.97Å; S98-D100 WeakPolarHBondContact OG-CB 3.48Å; S98-D100 PolarHBondContact OG-N 3.27Å; S98-D100 VanDerWaalsContact OG-N 3.16Å; D100-L102 PolarHBondContact O-N 3.14Å; D100-L102 VanDerWaalsContact O-N 3.16Å
101	S	77.9	Confident	72	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.021	26%	0.264	C	S	.	.			trans	-58.1	119.5	176.5	-60.5	0	0	0	0	110.6	S98 Q99 S127 I128	S98-S101 VanDerWaalsContact O-CB 3.29Å; S98-S101 WeakPolarHBondContact O-CB 3.29Å; S98-S101 PolarHBondContact O-N 3.28Å; S98-S101 PolarHBondContact O-OG 2.85Å; Q99-S101 PolarHBondContact O-N 3.05Å; S101-S127 WeakPolarHBondContact O-CA 3.46Å; S101-I128 PolarHBondContact O-N 3.22Å
102	L	85.1	Confident	71.7	Confident	74 Å²	74	55.4 Å²	55.4	39%	0.387	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.2	-178.6	-67.6	175.6	0	0	0	111.2	I61 D100 T125	I61-L102 HydrophobicContact CB-CB 4.19Å; I61-L102 HydrophobicContact CD1-CB 3.98Å; I61-L102 HydrophobicContact CD1-CD1 4.33Å; I61-L102 HydrophobicContact CG1-CB 4.29Å; I61-L102 PolarHBondContact N-O 3.05Å; D100-L102 PolarHBondContact O-N 3.14Å; D100-L102 VanDerWaalsContact O-N 3.16Å; L102-T125 HydrophobicContact CB-CG2 4.13Å; L102-T125 HydrophobicContact CD2-CG2 4.38Å
103	V	87.4	Confident	71.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.4	177.1	178.5	0	0	0	0	109	F35 V58 F91 L105 T125 F126 I128	F35-V103 HydrophobicContact CE1-CG1 3.99Å; F35-V103 HydrophobicContact CE1-CG2 4.29Å; F35-V103 HydrophobicContact CZ-CG1 3.7Å; V58-V103 HydrophobicContact CG1-CG1 3.82Å; F91-V103 HydrophobicContact CZ-CG2 4.05Å; V103-L105 HydrophobicContact CG1-CD2 4.17Å; V103-T125 VanDerWaalsContact O-CA 3.27Å; V103-T125 WeakPolarHBondContact O-CA 3.25Å; V103-T125 WeakPolarHBondContact O-CG2 3.4Å; V103-F126 HydrophobicContact CB-CD1 4.14Å; V103-F126 HydrophobicContact CB-CE1 3.66Å; V103-F126 HydrophobicContact CB-CE2 4.3Å; V103-F126 HydrophobicContact CB-CZ 3.75Å; V103-F126 HydrophobicContact CG1-CD1 4.4Å; V103-F126 HydrophobicContact CG1-CE1 3.57Å; V103-F126 HydrophobicContact CG1-CZ 3.79Å; V103-F126 HydrophobicContact CG2-CZ 4.23Å; V103-F126 PolarHBondContact N-O 2.9Å; V103-F126 PolarHBondContact O-N 3.11Å; V103-I128 HydrophobicContact CG2-CD1 3.84Å; V103-I128 HydrophobicContact CG2-CG1 4.19Å
104	K	89.5	Confident	71.5	Confident	62 Å²	62	58.9 Å²	58.9	27%	0.27	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.2	173.9	-174.8	175.9	179.3	176.2	0	110.3	A59 L68 A124	A59-K104 PolarHBondContact N-O 3.44Å; A59-K104 PolarHBondContact O-N 2.84Å; L68-K104 HydrophobicContact CD1-CB 3.97Å; L68-K104 HydrophobicContact CD1-CD 4.15Å; L68-K104 HydrophobicContact CD2-CD 4.27Å; K104-A124 WeakPolarHBondContact CA-O 3.46Å
105	L	91.3	Very high	71.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.3	170.3	-54.7	-178.6	0	0	0	108.8	F35 V56 Q57 V58 V103 S123 A124 F126 L141 V155 V157	F35-L105 HydrophobicContact CE2-CD2 4.27Å; F35-L105 HydrophobicContact CZ-CD2 4.35Å; V56-L105 HydrophobicContact CG1-CB 4.11Å; V56-L105 HydrophobicContact CG1-CD2 4.33Å; Q57-L105 CarbonylContact O-C 3.53Å; Q57-L105 WeakPolarHBondContact O-CA 3.02Å; V58-L105 HydrophobicContact CB-CD2 4.17Å; V58-L105 HydrophobicContact CG1-CD2 3.9Å; V58-L105 HydrophobicContact CG2-CD2 3.52Å; V103-L105 HydrophobicContact CG1-CD2 4.17Å; L105-S123 CarbonylContact O-C 3.58Å; L105-S123 WeakPolarHBondContact O-CA 3.38Å; L105-S123 WeakPolarHBondContact O-CB 3.49Å; L105-A124 PolarHBondContact N-O 2.9Å; L105-A124 PolarHBondContact O-N 2.86Å; L105-F126 HydrophobicContact CD1-CD1 4.43Å; L105-F126 HydrophobicContact CD1-CE1 3.99Å; L105-F126 HydrophobicContact CD2-CE1 4.29Å; L105-F126 HydrophobicContact CG-CD1 4.5Å; L105-F126 HydrophobicContact CG-CE1 4.03Å; L105-L141 HydrophobicContact CD1-CD1 4.29Å; L105-V155 HydrophobicContact CD1-CG1 3.86Å; L105-V155 HydrophobicContact CD1-CG2 4.06Å; L105-V157 HydrophobicContact CD1-CG2 3.47Å; L105-V157 VanDerWaalsContact CD1-CG2 3.47Å
106	T	90.5	Very high	71.1	Confident	8 Å²	8	60.9 Å²	60.9	5%	0.049	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119.4	176.3	-52.1	0	0	0	0	109.4	Q57 Y108 F120	Q57-T106 PolarHBondContact N-O 2.89Å; Q57-T106 PolarHBondContact O-N 3.16Å; T106-Y108 HydrophobicContact CG2-CD2 4.15Å; T106-Y108 HydrophobicContact CG2-CE1 4.43Å; T106-Y108 HydrophobicContact CG2-CE2 3.41Å; T106-Y108 VanDerWaalsContact CG2-CE2 3.41Å; T106-F120 HydrophobicContact CG2-CD2 3.61Å; T106-F120 HydrophobicContact CG2-CE2 3.5Å; T106-F120 VanDerWaalsContact CG2-CE2 3.5Å
107	V	90.1	Very high	71.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.3	-176.8	-166.9	0	0	0	0	109.6	L43 L55 V56 L121 G122 L143	L43-V107 HydrophobicContact CD1-CG1 4.02Å; L43-V107 HydrophobicContact CD2-CG1 4.12Å; L55-V107 CarbonylContact O-C 3.57Å; L55-V107 WeakPolarHBondContact O-CA 3.34Å; V56-V107 HydrophobicContact CG1-CG2 4.37Å; V56-V107 HydrophobicContact CG2-CG1 4.49Å; V56-V107 HydrophobicContact CG2-CG2 4.15Å; V107-L121 HydrophobicContact CB-CB 4.49Å; V107-L121 HydrophobicContact CG1-CD1 4.22Å; V107-L121 WeakPolarHBondContact O-CB 3.39Å; V107-L121 PolarHBondContact O-N 3.35Å; V107-G122 PolarHBondContact N-O 3.43Å; V107-G122 PolarHBondContact O-N 3.41Å; V107-L143 HydrophobicContact CB-CD1 4.35Å; V107-L143 HydrophobicContact CG2-CD1 3.68Å; V107-L143 HydrophobicContact CG2-CD2 3.67Å; V107-L143 HydrophobicContact CG2-CG 4.34Å
108	Y	88.7	Confident	72.3	Confident	44 Å²	44	58 Å²	58	17%	0.173	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150.9	-178.9	-65.9	-91.7	0	0	0	111.9	A54 L55 Q57 T106 S118 S119 F120	A54-Y108 CarbonylContact C-O 3.6Å; A54-Y108 WeakPolarHBondContact CA-O 3.44Å; L55-Y108 PolarHBondContact N-O 2.76Å; L55-Y108 PolarHBondContact O-N 3.36Å; Q57-Y108 HydrophobicContact CB-CD2 4.2Å; Q57-Y108 HydrophobicContact CB-CE2 3.85Å; T106-Y108 HydrophobicContact CG2-CD2 4.15Å; T106-Y108 HydrophobicContact CG2-CE1 4.43Å; T106-Y108 HydrophobicContact CG2-CE2 3.41Å; T106-Y108 VanDerWaalsContact CG2-CE2 3.41Å; Y108-S118 WeakPolarHBondContact CD1-OG 3.31Å; Y108-S119 CarbonylContact C-O 3.53Å; Y108-S119 VanDerWaalsContact CA-O 3.32Å; Y108-S119 WeakPolarHBondContact CA-O 3.41Å; Y108-F120 HydrophobicContact CD1-CB 4.28Å; Y108-F120 HydrophobicContact CE1-CB 4.14Å; Y108-F120 HydrophobicContact CE1-CD2 4.39Å
109	D	87.7	Confident	73.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	106.3	163.6	170.9	42.5	0	0	0	108.5	R50 P52 N53 K111 S119 L121	R50-D109 IonicContact CZ-OD2 3.28Å; R50-D109 VanDerWaalsContact CZ-OD2 3.28Å; R50-D109 IonicContact NH1-OD2 3.36Å; R50-D109 PolarHBondContact NH1-OD2 2.79Å; R50-D109 VanDerWaalsContact NH2-CG 3.29Å; R50-D109 IonicContact NH2-OD1 3.08Å; R50-D109 PolarHBondContact NH2-OD1 2.86Å; R50-D109 VanDerWaalsContact NH2-OD1 3.08Å; R50-D109 IonicContact NH2-OD2 2.71Å; R50-D109 PolarHBondContact NH2-OD2 3.08Å; P52-D109 WeakPolarHBondContact CA-OD1 3.32Å; P52-D109 HydrophobicContact CB-CB 4.12Å; N53-D109 PolarHBondContact N-OD1 3.33Å; N53-D109 WeakPolarHBondContact O-CA 3.41Å; D109-K111 PolarHBondContact O-N 3.4Å; D109-S119 PolarHBondContact N-O 2.89Å; D109-S119 PolarHBondContact O-N 2.79Å; D109-S119 PolarHBondContact O-OG 2.73Å; D109-S119 PolarHBondContact OD2-OG 3.43Å; D109-L121 HydrophobicContact CB-CD1 4.02Å; D109-L121 HydrophobicContact CB-CD2 3.83Å; D109-L121 HydrophobicContact CB-CG 3.99Å
110	A	81.6	Confident	74.4	Confident	3 Å²	3	55.4 Å²	55.4	3%	0.025	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	116.1	-178.1	0	0	0	0	0	111.4	N53 I76	N53-A110 HydrophobicContact CB-CB 4.35Å; N53-A110 VanDerWaalsContact CB-O 3.3Å; N53-A110 WeakPolarHBondContact CB-O 3.08Å; N53-A110 PolarHBondContact ND2-O 2.92Å; N53-A110 PolarHBondContact O-N 3.42Å; I76-A110 HydrophobicContact CD1-CB 3.86Å; I76-A110 HydrophobicContact CG1-CB 4.31Å; I76-A110 HydrophobicContact CG2-CB 4.18Å
111	K	67.4	Low	75.2	Confident	116 Å²	116	50.2 Å²	50.2	50%	0.504	25%	0.254	S	S	.	.	S	Bend	trans	-81.5	-16.2	-179.7	-54.7	179	-177	178.3	0	113.4	D109 S117 S119	D109-K111 PolarHBondContact O-N 3.4Å; K111-S117 WeakPolarHBondContact CB-O 3.29Å; K111-S117 WeakPolarHBondContact CG-O 3.43Å; K111-S117 PolarHBondContact N-O 2.98Å; K111-S117 VanDerWaalsContact N-O 3.1Å; K111-S119 WeakPolarHBondContact CE-OG 3.47Å
112	N	57.3	Low	75.7	Confident	100 Å²	100	50 Å²	50	54%	0.535	25%	0.253	S	S	.	.	S	Bend	trans	-146.1	157.7	178.6	-87.5	-28.9	0	0	0	111.5	S114	N112-S114 PolarHBondContact O-N 3.18Å
113	K	49.2	Very low	76.1	Confident	121 Å²	121	47.6 Å²	47.6	53%	0.526	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-1.1	176.2	-64.8	-172.5	176.7	-175.2	0	115.1	E78	E78-K113 WeakPolarHBondContact OE1-CE 3.35Å
114	S	46.3	Very low	76.3	Confident	61 Å²	61	48.1 Å²	48.1	43%	0.427	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	5.6	-176.7	64.2	0	0	0	0	115.5	N112 E116	N112-S114 PolarHBondContact O-N 3.18Å; S114-E116 PolarHBondContact O-N 3.3Å; S114-E116 PolarHBondContact OG-OE2 3.33Å
115	Q	51.8	Low	76.3	Confident	81 Å²	81	48.4 Å²	48.4	38%	0.379	25%	0.254	S	S	.	.	S	Bend	trans	60.9	-19.7	-176.5	-67	-179.3	-11.3	0	0	116.9	L55 S117	L55-Q115 HydrophobicContact CD2-CG 4.12Å; Q115-S117 PolarHBondContact O-N 2.84Å; Q115-S117 VanDerWaalsContact O-N 3.12Å
116	E	44.7	Very low	76.3	Confident	175 Å²	175	48.8 Å²	48.8	82%	0.818	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.2	-175.4	-69.4	160.6	156.3	0	0	115.7	S114	S114-E116 PolarHBondContact O-N 3.3Å; S114-E116 PolarHBondContact OG-OE2 3.33Å
117	S	58.1	Low	76.1	Confident	47 Å²	47	49 Å²	49	33%	0.329	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	68.4	178.3	59.8	0	0	0	0	112.2	K111 Q115	K111-S117 WeakPolarHBondContact CB-O 3.29Å; K111-S117 WeakPolarHBondContact CG-O 3.43Å; K111-S117 PolarHBondContact N-O 2.98Å; K111-S117 VanDerWaalsContact N-O 3.1Å; Q115-S117 PolarHBondContact O-N 2.84Å; Q115-S117 VanDerWaalsContact O-N 3.12Å
118	S	75.4	Confident	75.7	Confident	50 Å²	50	49 Å²	49	35%	0.35	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.7	176	70.2	0	0	0	0	111.9	Y108	Y108-S118 WeakPolarHBondContact CD1-OG 3.31Å
119	S	84.3	Confident	75.2	Confident	23 Å²	23	47 Å²	47	16%	0.161	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128	169.6	17.2	0	0	0	0	110	Y108 D109 K111 L121	Y108-S119 CarbonylContact C-O 3.53Å; Y108-S119 VanDerWaalsContact CA-O 3.32Å; Y108-S119 WeakPolarHBondContact CA-O 3.41Å; D109-S119 PolarHBondContact N-O 2.89Å; D109-S119 PolarHBondContact O-N 2.79Å; D109-S119 PolarHBondContact O-OG 2.73Å; D109-S119 PolarHBondContact OD2-OG 3.43Å; K111-S119 WeakPolarHBondContact CE-OG 3.47Å; S119-L121 PolarHBondContact O-N 3Å
120	F	87.4	Confident	75	Confident	70 Å²	70	50.2 Å²	50.2	31%	0.307	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	133.4	174.5	177.1	-80.2	0	0	0	110.8	T106 Y108 G122 S146	T106-F120 HydrophobicContact CG2-CD2 3.61Å; T106-F120 HydrophobicContact CG2-CE2 3.5Å; T106-F120 VanDerWaalsContact CG2-CE2 3.5Å; Y108-F120 HydrophobicContact CD1-CB 4.28Å; Y108-F120 HydrophobicContact CE1-CB 4.14Å; Y108-F120 HydrophobicContact CE1-CD2 4.39Å; F120-G122 VanDerWaalsContact CE1-CA 3.46Å; F120-G122 VanDerWaalsContact CZ-C 3.49Å; F120-S146 VanDerWaalsContact CE1-N 3.28Å
121	L	87.5	Confident	75	Confident	16 Å²	16	50.1 Å²	50.1	8%	0.084	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-53.7	172.9	-63.1	-179.8	0	0	0	111	L43 A44 P52 V107 D109 S119 A152	L43-L121 HydrophobicContact CD1-CD1 4.32Å; A44-L121 WeakPolarHBondContact O-CD2 3.41Å; P52-L121 HydrophobicContact CB-CD1 3.86Å; P52-L121 HydrophobicContact CG-CD1 4.32Å; V107-L121 HydrophobicContact CB-CB 4.49Å; V107-L121 HydrophobicContact CG1-CD1 4.22Å; V107-L121 WeakPolarHBondContact O-CB 3.39Å; V107-L121 PolarHBondContact O-N 3.35Å; D109-L121 HydrophobicContact CB-CD1 4.02Å; D109-L121 HydrophobicContact CB-CD2 3.83Å; D109-L121 HydrophobicContact CB-CG 3.99Å; S119-L121 PolarHBondContact O-N 3Å; L121-A152 VanDerWaalsContact O-CB 3.28Å; L121-A152 WeakPolarHBondContact O-CB 3.27Å
122	G	89.2	Confident	75.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	167.5	-179.5	0	0	0	0	0	113.4	V107 F120 R144	V107-G122 PolarHBondContact N-O 3.43Å; V107-G122 PolarHBondContact O-N 3.41Å; F120-G122 VanDerWaalsContact CE1-CA 3.46Å; F120-G122 VanDerWaalsContact CZ-C 3.49Å; G122-R144 CarbonylContact C-O 3.54Å; G122-R144 WeakPolarHBondContact CA-O 3.18Å
123	S	92.1	Very high	76.7	Confident	22 Å²	22	49 Å²	49	15%	0.154	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	156.2	173.4	65.6	0	0	0	0	113	L105 R144	L105-S123 CarbonylContact O-C 3.58Å; L105-S123 WeakPolarHBondContact O-CA 3.38Å; L105-S123 WeakPolarHBondContact O-CB 3.49Å; S123-R144 PolarHBondContact N-O 3.49Å; S123-R144 PolarHBondContact O-N 3.34Å
124	A	92.3	Very high	78.2	Confident	11 Å²	11	44.1 Å²	44.1	9%	0.091	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	156.4	173.7	0	0	0	0	0	109.8	K104 L105 L141 L143 V155	K104-A124 WeakPolarHBondContact CA-O 3.46Å; L105-A124 PolarHBondContact N-O 2.9Å; L105-A124 PolarHBondContact O-N 2.86Å; A124-L141 HydrophobicContact CB-CB 3.84Å; A124-L141 HydrophobicContact CB-CD1 4.28Å; A124-L143 HydrophobicContact CB-CD2 4.12Å; A124-V155 HydrophobicContact CB-CG1 4.33Å
125	T	90.1	Very high	79.2	Confident	69 Å²	69	51 Å²	51	42%	0.423	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.8	177	-52.8	0	0	0	0	109.1	I61 L102 V103	I61-T125 HydrophobicContact CD1-CG2 4.34Å; L102-T125 HydrophobicContact CB-CG2 4.13Å; L102-T125 HydrophobicContact CD2-CG2 4.38Å; V103-T125 VanDerWaalsContact O-CA 3.27Å; V103-T125 WeakPolarHBondContact O-CA 3.25Å; V103-T125 WeakPolarHBondContact O-CG2 3.4Å
126	F	90.1	Very high	80.3	Confident	7 Å²	7	53.9 Å²	53.9	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.9	174.4	68.2	-79.1	0	0	0	110.4	F35 V103 L105 L131 L139 L141 V157	F35-F126 HydrophobicContact CD1-CZ 4.08Å; F35-F126 AromaticContact CE1-CZ 3.71Å; F35-F126 HydrophobicContact CE1-CZ 3.71Å; F35-F126 HydrophobicContact CE2-CZ 4.27Å; F35-F126 HydrophobicContact CG-CZ 4.5Å; F35-F126 HydrophobicContact CZ-CE1 4.36Å; F35-F126 AromaticContact CZ-CZ 3.85Å; F35-F126 HydrophobicContact CZ-CZ 3.85Å; V103-F126 HydrophobicContact CB-CD1 4.14Å; V103-F126 HydrophobicContact CB-CE1 3.66Å; V103-F126 HydrophobicContact CB-CE2 4.3Å; V103-F126 HydrophobicContact CB-CZ 3.75Å; V103-F126 HydrophobicContact CG1-CD1 4.4Å; V103-F126 HydrophobicContact CG1-CE1 3.57Å; V103-F126 HydrophobicContact CG1-CZ 3.79Å; V103-F126 HydrophobicContact CG2-CZ 4.23Å; V103-F126 PolarHBondContact N-O 2.9Å; V103-F126 PolarHBondContact O-N 3.11Å; L105-F126 HydrophobicContact CD1-CD1 4.43Å; L105-F126 HydrophobicContact CD1-CE1 3.99Å; L105-F126 HydrophobicContact CD2-CE1 4.29Å; L105-F126 HydrophobicContact CG-CD1 4.5Å; L105-F126 HydrophobicContact CG-CE1 4.03Å; F126-L131 HydrophobicContact CD2-CB 4.14Å; F126-L131 HydrophobicContact CE2-CB 3.96Å; F126-L131 HydrophobicContact CE2-CD2 3.87Å; F126-L131 HydrophobicContact CE2-CG 4.45Å; F126-L131 HydrophobicContact CZ-CD2 4.46Å; F126-L139 HydrophobicContact CB-CD1 4.05Å; F126-L139 HydrophobicContact CD2-CD1 3.74Å; F126-L139 HydrophobicContact CE2-CD1 4.5Å; F126-L139 HydrophobicContact CG-CD1 4.08Å; F126-L141 HydrophobicContact CB-CD1 3.91Å; F126-L141 HydrophobicContact CB-CD2 4.22Å; F126-L141 HydrophobicContact CD1-CD1 3.55Å; F126-L141 HydrophobicContact CE1-CD1 4.37Å; F126-L141 HydrophobicContact CG-CD1 3.97Å; F126-V157 HydrophobicContact CE1-CG1 4.36Å; F126-V157 HydrophobicContact CE1-CG2 4.34Å; F126-V157 HydrophobicContact CE2-CG1 4.43Å; F126-V157 HydrophobicContact CZ-CG1 3.94Å
127	S	86.5	Confident	81.9	Confident	12 Å²	12	46 Å²	46	8%	0.084	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	149.1	168.4	73.8	0	0	0	0	110.9	S101 G129 D130 L131	S101-S127 WeakPolarHBondContact O-CA 3.46Å; S127-G129 PolarHBondContact O-N 3.4Å; S127-D130 WeakPolarHBondContact CB-OD2 3.39Å; S127-D130 PolarHBondContact N-OD2 3.02Å; S127-D130 WeakPolarHBondContact O-CB 3.4Å; S127-D130 PolarHBondContact O-N 3.36Å; S127-D130 PolarHBondContact OG-N 2.85Å; S127-D130 VanDerWaalsContact OG-N 3.1Å; S127-D130 PolarHBondContact OG-OD1 3.14Å; S127-D130 PolarHBondContact OG-OD2 3.28Å; S127-L131 PolarHBondContact O-N 2.91Å
128	I	81.3	Confident	83.1	Confident	2 Å²	2	50 Å²	50	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-54.5	-37.4	171.7	-70.5	-64.5	0	0	0	111.1	L32 P33 F91 Q99 S101 V103 D130 L131 L132	L32-I128 HydrophobicContact CD2-CG1 4.32Å; L32-I128 HydrophobicContact CD2-CG2 4.41Å; P33-I128 HydrophobicContact CG-CG2 3.53Å; F91-I128 HydrophobicContact CE2-CD1 4.33Å; Q99-I128 PolarHBondContact O-N 3.28Å; S101-I128 PolarHBondContact O-N 3.22Å; V103-I128 HydrophobicContact CG2-CD1 3.84Å; V103-I128 HydrophobicContact CG2-CG1 4.19Å; I128-D130 VanDerWaalsContact C-N 3.33Å; I128-D130 PolarHBondContact O-N 3.27Å; I128-L131 PolarHBondContact O-N 3.43Å; I128-L132 HydrophobicContact CG2-CD1 3.99Å; I128-L132 HydrophobicContact CG2-CG 4.29Å; I128-L132 WeakPolarHBondContact O-CG 3.43Å; I128-L132 PolarHBondContact O-N 3.46Å
129	G	78.2	Confident	83.7	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-37.7	174.2	0	0	0	0	0	113.8	Q99 S127 L131 L132 R133	Q99-G129 PolarHBondContact O-N 2.93Å; S127-G129 PolarHBondContact O-N 3.4Å; G129-L131 VanDerWaalsContact C-N 3.32Å; G129-L131 PolarHBondContact O-N 3Å; G129-L132 PolarHBondContact O-N 3.48Å; G129-R133 VanDerWaalsContact C-NH2 3.34Å; G129-R133 WeakPolarHBondContact O-CB 3.39Å; G129-R133 VanDerWaalsContact O-CG 3.25Å; G129-R133 WeakPolarHBondContact O-CG 3.27Å; G129-R133 VanDerWaalsContact O-CZ 3.25Å; G129-R133 PolarHBondContact O-N 3.34Å; G129-R133 PolarHBondContact O-NE 2.98Å
130	D	84.2	Confident	83.9	Confident	68 Å²	68	52.7 Å²	52.7	36%	0.364	26%	0.262	S	S	.	.	H	α-helix	trans	-64.8	-40.2	176.6	-60	-43.7	0	0	0	111.2	S127 I128 R133 A134 L139	S127-D130 WeakPolarHBondContact CB-OD2 3.39Å; S127-D130 PolarHBondContact N-OD2 3.02Å; S127-D130 WeakPolarHBondContact O-CB 3.4Å; S127-D130 PolarHBondContact O-N 3.36Å; S127-D130 PolarHBondContact OG-N 2.85Å; S127-D130 VanDerWaalsContact OG-N 3.1Å; S127-D130 PolarHBondContact OG-OD1 3.14Å; S127-D130 PolarHBondContact OG-OD2 3.28Å; I128-D130 VanDerWaalsContact C-N 3.33Å; I128-D130 PolarHBondContact O-N 3.27Å; D130-R133 PolarHBondContact O-N 2.64Å; D130-R133 IonicContact OD1-CZ 2.58Å; D130-R133 IonicContact OD1-NE 2.63Å; D130-R133 IonicContact OD1-NH2 3.86Å; D130-R133 PolarHBondContact OD1-NH2 3.46Å; D130-A134 PolarHBondContact O-N 3.13Å; D130-A134 VanDerWaalsContact O-N 3.1Å; D130-L139 HydrophobicContact CB-CD1 4.08Å
131	L	82.6	Confident	84.1	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-71.1	-33.5	178	-174.7	62.9	0	0	0	111.9	F35 F126 S127 I128 G129 G137 L139 V157 R159	F35-L131 HydrophobicContact CB-CD2 3.58Å; F35-L131 HydrophobicContact CD1-CD2 4.13Å; F35-L131 HydrophobicContact CG-CD2 4.08Å; F126-L131 HydrophobicContact CD2-CB 4.14Å; F126-L131 HydrophobicContact CE2-CB 3.96Å; F126-L131 HydrophobicContact CE2-CD2 3.87Å; F126-L131 HydrophobicContact CE2-CG 4.45Å; F126-L131 HydrophobicContact CZ-CD2 4.46Å; S127-L131 PolarHBondContact O-N 2.91Å; I128-L131 PolarHBondContact O-N 3.43Å; G129-L131 VanDerWaalsContact C-N 3.32Å; G129-L131 PolarHBondContact O-N 3Å; L131-G137 WeakPolarHBondContact CD1-O 3.47Å; L131-L139 HydrophobicContact CB-CD1 3.84Å; L131-L139 HydrophobicContact CB-CG 4.45Å; L131-L139 HydrophobicContact CD1-CB 4.45Å; L131-L139 HydrophobicContact CD1-CD1 3.99Å; L131-L139 HydrophobicContact CD1-CG 3.86Å; L131-V157 HydrophobicContact CD1-CG1 4.16Å; L131-V157 HydrophobicContact CD2-CG1 4.11Å; L131-R159 HydrophobicContact CD1-CB 4.08Å; L131-R159 HydrophobicContact CD2-CB 4.31Å; L131-R159 HydrophobicContact CG-CB 3.92Å
132	L	77.6	Confident	84.3	Confident	43 Å²	43	53.7 Å²	53.7	23%	0.225	28%	0.277	C	S	.	.	H	α-helix	trans	-67.8	-35.1	172.7	-72	174.6	0	0	0	112.7	P33 Q99 I128 G129 R159	P33-L132 HydrophobicContact CB-CD2 4.17Å; P33-L132 HydrophobicContact CG-CD2 3.86Å; P33-L132 HydrophobicContact CG-CG 4.2Å; Q99-L132 HydrophobicContact CG-CD1 3.87Å; I128-L132 HydrophobicContact CG2-CD1 3.99Å; I128-L132 HydrophobicContact CG2-CG 4.29Å; I128-L132 WeakPolarHBondContact O-CG 3.43Å; I128-L132 PolarHBondContact O-N 3.46Å; G129-L132 PolarHBondContact O-N 3.48Å; L132-R159 PolarHBondContact O-NH1 3.01Å
133	R	81.1	Confident	84.3	Confident	150 Å²	150	53.7 Å²	53.7	57%	0.566	28%	0.277	S	S	*	.	H	α-helix	trans	-84.6	-13	-179.1	-72	-179	-66.1	-99.3	5.7	114.7	G129 D130 K135	G129-R133 VanDerWaalsContact C-NH2 3.34Å; G129-R133 WeakPolarHBondContact O-CB 3.39Å; G129-R133 VanDerWaalsContact O-CG 3.25Å; G129-R133 WeakPolarHBondContact O-CG 3.27Å; G129-R133 VanDerWaalsContact O-CZ 3.25Å; G129-R133 PolarHBondContact O-N 3.34Å; G129-R133 PolarHBondContact O-NE 2.98Å; D130-R133 PolarHBondContact O-N 2.64Å; D130-R133 IonicContact OD1-CZ 2.58Å; D130-R133 IonicContact OD1-NE 2.63Å; D130-R133 IonicContact OD1-NH2 3.86Å; D130-R133 PolarHBondContact OD1-NH2 3.46Å; R133-K135 PolarHBondContact O-N 2.85Å
134	A	82.4	Confident	84.2	Confident	19 Å²	19	59.1 Å²	59.1	16%	0.157	29%	0.294	C	S	.	.			trans	-63.3	125.4	179	0	0	0	0	0	111.3	D130 D136 G137 R138 L139	D130-A134 PolarHBondContact O-N 3.13Å; D130-A134 VanDerWaalsContact O-N 3.1Å; A134-D136 VanDerWaalsContact C-N 3.35Å; A134-D136 PolarHBondContact O-N 2.92Å; A134-G137 PolarHBondContact O-N 3.21Å; A134-R138 WeakPolarHBondContact CB-O 3.27Å; A134-L139 HydrophobicContact CB-CD2 4.01Å; A134-L139 HydrophobicContact CB-CG 4.43Å
135	K	66.1	Low	83.7	Confident	204 Å²	204	59.7 Å²	59.7	89%	0.887	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-49.2	-174.9	-74.1	-170.4	173.5	-171.6	0	112.9	R133 G137	R133-K135 PolarHBondContact O-N 2.85Å; K135-G137 VanDerWaalsContact C-N 3.27Å; K135-G137 PolarHBondContact O-N 3.07Å
136	D	75.9	Confident	83.1	Confident	143 Å²	143	61.7 Å²	61.7	77%	0.765	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	15.3	-178.2	-42.1	-37.1	0	0	0	111.8	A134 R138	A134-D136 VanDerWaalsContact C-N 3.35Å; A134-D136 PolarHBondContact O-N 2.92Å; D136-R138 PolarHBondContact O-N 2.68Å; D136-R138 VanDerWaalsContact O-N 3.13Å
137	G	76.6	Confident	82.3	Confident	10 Å²	10	66 Å²	66	10%	0.103	34%	0.338	C	S	.	.	S	Bend	trans	63	11.1	-170.1	0	0	0	0	0	114.5	L131 A134 K135 S158 R159	L131-G137 WeakPolarHBondContact CD1-O 3.47Å; A134-G137 PolarHBondContact O-N 3.21Å; K135-G137 VanDerWaalsContact C-N 3.27Å; K135-G137 PolarHBondContact O-N 3.07Å; G137-S158 CarbonylContact O-C 3.57Å; G137-R159 VanDerWaalsContact O-CB 3.31Å; G137-R159 WeakPolarHBondContact O-CB 3.22Å; G137-R159 PolarHBondContact O-N 3.37Å
138	R	83.8	Confident	81.5	Confident	130 Å²	130	67 Å²	67	49%	0.491	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.7	-173.6	-78.8	174.9	162.2	150.9	3.9	113.2	E38 A134 D136 L156 V157	E38-R138 IonicContact OE1-CZ 3.7Å; E38-R138 IonicContact OE1-NE 2.71Å; E38-R138 PolarHBondContact OE1-NE 3.5Å; E38-R138 IonicContact OE1-NH2 2.65Å; E38-R138 PolarHBondContact OE1-NH2 3.29Å; E38-R138 IonicContact OE2-CZ 3.91Å; E38-R138 VanDerWaalsContact OE2-CZ 3.3Å; E38-R138 IonicContact OE2-NE 3.15Å; E38-R138 PolarHBondContact OE2-NE 3.09Å; E38-R138 IonicContact OE2-NH2 3.74Å; E38-R138 PolarHBondContact OE2-NH2 3.3Å; E38-R138 VanDerWaalsContact OE2-NH2 3.17Å; A134-R138 WeakPolarHBondContact CB-O 3.27Å; D136-R138 PolarHBondContact O-N 2.68Å; D136-R138 VanDerWaalsContact O-N 3.13Å; R138-L156 HydrophobicContact CB-CD1 4.31Å; R138-L156 HydrophobicContact CG-CD1 4.48Å; R138-V157 CarbonylContact C-O 3.55Å; R138-V157 VanDerWaalsContact CA-O 3.32Å; R138-V157 WeakPolarHBondContact CA-O 3Å
139	L	88.3	Confident	80.9	Confident	30 Å²	30	72.1 Å²	72.1	16%	0.157	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125	170.8	-66.3	179.3	0	0	0	110.2	F126 D130 L131 A134 L141 V157	F126-L139 HydrophobicContact CB-CD1 4.05Å; F126-L139 HydrophobicContact CD2-CD1 3.74Å; F126-L139 HydrophobicContact CE2-CD1 4.5Å; F126-L139 HydrophobicContact CG-CD1 4.08Å; D130-L139 HydrophobicContact CB-CD1 4.08Å; L131-L139 HydrophobicContact CB-CD1 3.84Å; L131-L139 HydrophobicContact CB-CG 4.45Å; L131-L139 HydrophobicContact CD1-CB 4.45Å; L131-L139 HydrophobicContact CD1-CD1 3.99Å; L131-L139 HydrophobicContact CD1-CG 3.86Å; A134-L139 HydrophobicContact CB-CD2 4.01Å; A134-L139 HydrophobicContact CB-CG 4.43Å; L139-L141 HydrophobicContact CB-CD2 4.26Å; L139-L141 HydrophobicContact CB-CG 4.35Å; L139-V157 HydrophobicContact CB-CB 4.39Å; L139-V157 PolarHBondContact N-O 3.44Å; L139-V157 PolarHBondContact O-N 3.44Å
140	T	89.4	Confident	80.9	Confident	99 Å²	99	75.1 Å²	75.1	61%	0.607	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.4	166.2	-56	0	0	0	0	108.6	T154	T140-T154 HydrophobicContact CG2-CG2 4.22Å
141	L	90.9	Very high	80.8	Confident	28 Å²	28	77.2 Å²	77.2	15%	0.147	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.3	-176.1	-55.1	172.9	0	0	0	110.3	L105 A124 F126 L139 L143 T154 V155 V157	L105-L141 HydrophobicContact CD1-CD1 4.29Å; A124-L141 HydrophobicContact CB-CB 3.84Å; A124-L141 HydrophobicContact CB-CD1 4.28Å; F126-L141 HydrophobicContact CB-CD1 3.91Å; F126-L141 HydrophobicContact CB-CD2 4.22Å; F126-L141 HydrophobicContact CD1-CD1 3.55Å; F126-L141 HydrophobicContact CE1-CD1 4.37Å; F126-L141 HydrophobicContact CG-CD1 3.97Å; L139-L141 HydrophobicContact CB-CD2 4.26Å; L139-L141 HydrophobicContact CB-CG 4.35Å; L141-L143 PolarHBondContact O-N 3.41Å; L141-T154 CarbonylContact O-C 3.43Å; L141-T154 VanDerWaalsContact O-CA 3.31Å; L141-T154 WeakPolarHBondContact O-CA 3.02Å; L141-V155 HydrophobicContact CB-CG1 3.89Å; L141-V155 HydrophobicContact CD1-CG1 4.45Å; L141-V155 PolarHBondContact N-O 3.43Å; L141-V155 PolarHBondContact O-N 2.96Å; L141-V157 HydrophobicContact CD1-CG2 3.99Å
142	S	90.7	Very high	80.9	Confident	79 Å²	79	77.5 Å²	77.5	55%	0.552	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	123.7	172.6	-53.4	0	0	0	0	110.7
143	L	90.4	Very high	81.5	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	135.7	173.9	-65.3	169.6	0	0	0	109.7	L43 V107 A124 L141 A152 G153 V155	L43-L143 HydrophobicContact CD2-CD1 3.56Å; V107-L143 HydrophobicContact CB-CD1 4.35Å; V107-L143 HydrophobicContact CG2-CD1 3.68Å; V107-L143 HydrophobicContact CG2-CD2 3.67Å; V107-L143 HydrophobicContact CG2-CG 4.34Å; A124-L143 HydrophobicContact CB-CD2 4.12Å; L141-L143 PolarHBondContact O-N 3.41Å; L143-A152 HydrophobicContact CB-CB 4.12Å; L143-A152 PolarHBondContact O-N 2.72Å; L143-G153 PolarHBondContact N-O 2.87Å; L143-V155 HydrophobicContact CD1-CB 4.35Å; L143-V155 HydrophobicContact CD2-CB 4.09Å; L143-V155 HydrophobicContact CD2-CG1 3.7Å; L143-V155 HydrophobicContact CG-CB 4.27Å; L143-V155 HydrophobicContact CG-CG1 4.18Å
144	R	89.3	Confident	81.9	Confident	136 Å²	136	70.8 Å²	70.8	51%	0.513	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.8	177.5	-63.9	177.8	177.3	-79.4	-6.8	111.2	G122 S123 G148	G122-R144 CarbonylContact C-O 3.54Å; G122-R144 WeakPolarHBondContact CA-O 3.18Å; S123-R144 PolarHBondContact N-O 3.49Å; S123-R144 PolarHBondContact O-N 3.34Å; R144-G148 WeakPolarHBondContact CD-O 3.28Å; R144-G148 PolarHBondContact NH1-O 3.26Å; R144-G148 VanDerWaalsContact NH1-O 3.12Å
145	S	83.2	Confident	82.3	Confident	24 Å²	24	69.9 Å²	69.9	17%	0.168	40%	0.395	C	S	.	.			trans	-59.7	172.3	171.7	44.5	0	0	0	0	112.7	D147 G148 C150	S145-D147 WeakPolarHBondContact CB-OD1 3.39Å; S145-D147 PolarHBondContact O-N 2.99Å; S145-D147 PolarHBondContact OG-OD1 3.47Å; S145-G148 WeakPolarHBondContact O-CA 3.29Å; S145-G148 PolarHBondContact O-N 3.35Å; S145-C150 PolarHBondContact N-O 3.47Å; S145-C150 WeakPolarHBondContact OG-CA 3.28Å; S145-C150 WeakPolarHBondContact OG-CB 3.43Å; S145-C150 PolarHBondContact OG-N 2.89Å; S145-C150 PolarHBondContact OG-O 3.25Å; S145-C150 VanDerWaalsContact OG-O 3.05Å
146	S	76.8	Confident	83.4	Confident	111 Å²	111	61.8 Å²	61.8	78%	0.776	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.6	-174.3	53.2	0	0	0	0	114.6	F120	F120-S146 VanDerWaalsContact CE1-N 3.28Å
147	D	73.8	Confident	83.9	Confident	97 Å²	97	55 Å²	55	52%	0.519	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-9	170.3	61.6	2.7	0	0	0	113.3	S145 V149	S145-D147 WeakPolarHBondContact CB-OD1 3.39Å; S145-D147 PolarHBondContact O-N 2.99Å; S145-D147 PolarHBondContact OG-OD1 3.47Å; D147-V149 PolarHBondContact O-N 3.4Å; D147-V149 PolarHBondContact OD1-N 2.91Å
148	G	67.9	Low	84.2	Confident	33 Å²	33	54.9 Å²	54.9	34%	0.34	32%	0.322	S	S	.	.	S	Bend	trans	77.5	-7.2	-175.7	0	0	0	0	0	115.6	R144 S145	R144-G148 WeakPolarHBondContact CD-O 3.28Å; R144-G148 PolarHBondContact NH1-O 3.26Å; R144-G148 VanDerWaalsContact NH1-O 3.12Å; S145-G148 WeakPolarHBondContact O-CA 3.29Å; S145-G148 PolarHBondContact O-N 3.35Å
149	V	70.3	Confident	83.9	Confident	110 Å²	110	52.8 Å²	52.8	67%	0.667	32%	0.315	S	S	*	.			trans	-94.9	-46	-167	-178	0	0	0	0	112.3	D147	D147-V149 PolarHBondContact O-N 3.4Å; D147-V149 PolarHBondContact OD1-N 2.91Å
150	C	77.6	Confident	82.8	Confident	62 Å²	62	52.4 Å²	52.4	42%	0.419	31%	0.313	S	S	.	.	S	Bend	trans	-87	138.2	-172.9	-51.7	0	0	0	0	111.9	S145	S145-C150 PolarHBondContact N-O 3.47Å; S145-C150 WeakPolarHBondContact OG-CA 3.28Å; S145-C150 WeakPolarHBondContact OG-CB 3.43Å; S145-C150 PolarHBondContact OG-N 2.89Å; S145-C150 PolarHBondContact OG-O 3.25Å; S145-C150 VanDerWaalsContact OG-O 3.05Å
151	P	81.4	Confident	81.2	Confident	113 Å²	113	53 Å²	53	73%	0.734	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	134.5	171.3	29.8	-33.3	0	0	0	110.3
152	A	85.1	Confident	79.1	Confident	6 Å²	6	54.2 Å²	54.2	5%	0.05	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	25.8	-175.8	0	0	0	0	0	112.9	L121 L143	L121-A152 VanDerWaalsContact O-CB 3.28Å; L121-A152 WeakPolarHBondContact O-CB 3.27Å; L143-A152 HydrophobicContact CB-CB 4.12Å; L143-A152 PolarHBondContact O-N 2.72Å
153	G	89.5	Confident	76.7	Confident	17 Å²	17	53.5 Å²	53.5	18%	0.175	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	99	-163.2	-172.6	0	0	0	0	0	112.8	N41 L143	N41-G153 CarbonylContact O-C 3.57Å; N41-G153 VanDerWaalsContact O-CA 3.25Å; N41-G153 WeakPolarHBondContact O-CA 3.43Å; L143-G153 PolarHBondContact N-O 2.87Å
154	T	91.2	Very high	74	Confident	36 Å²	36	61 Å²	61	22%	0.221	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	156.9	174.8	57.1	0	0	0	0	111.3	C40 N41 T140 L141	C40-T154 CarbonylContact C-O 3.56Å; C40-T154 WeakPolarHBondContact CA-O 3.43Å; C40-T154 VanDerWaalsContact CB-O 3.27Å; C40-T154 WeakPolarHBondContact CB-O 3.47Å; N41-T154 PolarHBondContact N-O 3.37Å; N41-T154 PolarHBondContact ND2-OG1 3.45Å; N41-T154 PolarHBondContact O-N 3.47Å; T140-T154 HydrophobicContact CG2-CG2 4.22Å; L141-T154 CarbonylContact O-C 3.43Å; L141-T154 VanDerWaalsContact O-CA 3.31Å; L141-T154 WeakPolarHBondContact O-CA 3.02Å
155	V	90.1	Very high	71.3	Confident	0 Å²	0	62 Å²	62	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.5	166.6	61.7	0	0	0	0	109.5	A39 L105 A124 L141 L143	A39-V155 WeakPolarHBondContact O-CA 3.21Å; L105-V155 HydrophobicContact CD1-CG1 3.86Å; L105-V155 HydrophobicContact CD1-CG2 4.06Å; A124-V155 HydrophobicContact CB-CG1 4.33Å; L141-V155 HydrophobicContact CB-CG1 3.89Å; L141-V155 HydrophobicContact CD1-CG1 4.45Å; L141-V155 PolarHBondContact N-O 3.43Å; L141-V155 PolarHBondContact O-N 2.96Å; L143-V155 HydrophobicContact CD1-CB 4.35Å; L143-V155 HydrophobicContact CD2-CB 4.09Å; L143-V155 HydrophobicContact CD2-CG1 3.7Å; L143-V155 HydrophobicContact CG-CB 4.27Å; L143-V155 HydrophobicContact CG-CG1 4.18Å
156	L	88.4	Confident	68.7	Low	33 Å²	33	69 Å²	69	17%	0.173	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.9	177.3	179.4	57.9	0	0	0	109	C37 E38 A39 R138	C37-L156 CarbonylContact C-O 3.29Å; E38-L156 HydrophobicContact CB-CB 4.47Å; E38-L156 HydrophobicContact CB-CD2 4.17Å; E38-L156 HydrophobicContact CB-CG 4.12Å; E38-L156 HydrophobicContact CG-CG 4.37Å; E38-L156 PolarHBondContact N-O 2.81Å; E38-L156 WeakPolarHBondContact OE2-CD2 3.33Å; E38-L156 WeakPolarHBondContact OE2-CG 3.24Å; A39-L156 HydrophobicContact CB-CB 4.28Å; A39-L156 PolarHBondContact O-N 2.94Å; R138-L156 HydrophobicContact CB-CD1 4.31Å; R138-L156 HydrophobicContact CG-CD1 4.48Å
157	V	86.8	Confident	66.4	Low	0 Å²	0	72.4 Å²	72.4	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.5	179.2	-173.7	0	0	0	0	108.4	F35 L36 L105 F126 L131 R138 L139 L141	F35-V157 HydrophobicContact CB-CG1 4.09Å; F35-V157 HydrophobicContact CD2-CG1 3.6Å; F35-V157 HydrophobicContact CE2-CG1 4.22Å; F35-V157 HydrophobicContact CG-CG1 3.94Å; L36-V157 CarbonylContact O-C 3.53Å; L36-V157 WeakPolarHBondContact O-CA 3.35Å; L105-V157 HydrophobicContact CD1-CG2 3.47Å; L105-V157 VanDerWaalsContact CD1-CG2 3.47Å; F126-V157 HydrophobicContact CE1-CG1 4.36Å; F126-V157 HydrophobicContact CE1-CG2 4.34Å; F126-V157 HydrophobicContact CE2-CG1 4.43Å; F126-V157 HydrophobicContact CZ-CG1 3.94Å; L131-V157 HydrophobicContact CD1-CG1 4.16Å; L131-V157 HydrophobicContact CD2-CG1 4.11Å; R138-V157 CarbonylContact C-O 3.55Å; R138-V157 VanDerWaalsContact CA-O 3.32Å; R138-V157 WeakPolarHBondContact CA-O 3Å; L139-V157 HydrophobicContact CB-CB 4.39Å; L139-V157 PolarHBondContact N-O 3.44Å; L139-V157 PolarHBondContact O-N 3.44Å; L141-V157 HydrophobicContact CD1-CG2 3.99Å
158	S	82.3	Confident	64.1	Low	9 Å²	9	72.6 Å²	72.6	6%	0.063	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.9	175.4	62.1	0	0	0	0	111.4	F35 L36 E38 G137	F35-S158 CarbonylContact C-O 3.6Å; F35-S158 WeakPolarHBondContact CA-O 3.35Å; F35-S158 VanDerWaalsContact CB-O 3.23Å; F35-S158 WeakPolarHBondContact CB-O 3.09Å; L36-S158 WeakPolarHBondContact CB-OG 3.41Å; L36-S158 PolarHBondContact N-O 2.93Å; L36-S158 PolarHBondContact O-N 3.19Å; E38-S158 WeakPolarHBondContact CG-OG 3.37Å; E38-S158 PolarHBondContact OE1-OG 3.31Å; G137-S158 CarbonylContact O-C 3.57Å
159	R	78.1	Confident	62.2	Low	86 Å²	86	76.7 Å²	76.7	33%	0.325	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	131.5	167.9	-174.8	-179	169.1	-177.4	-2.3	108.4	L131 L132 G137 K161	L131-R159 HydrophobicContact CD1-CB 4.08Å; L131-R159 HydrophobicContact CD2-CB 4.31Å; L131-R159 HydrophobicContact CG-CB 3.92Å; L132-R159 PolarHBondContact O-NH1 3.01Å; G137-R159 VanDerWaalsContact O-CB 3.31Å; G137-R159 WeakPolarHBondContact O-CB 3.22Å; G137-R159 PolarHBondContact O-N 3.37Å; R159-K161 PolarHBondContact O-N 2.74Å
160	L	65.7	Low	60.2	Low	22 Å²	22	79.2 Å²	79.2	12%	0.115	43%	0.432	C	S	.	.			trans	-88.1	104.9	168.1	-62.8	169.1	0	0	0	107.8	P34 V211 L223	P34-L160 HydrophobicContact CB-CD1 4.17Å; P34-L160 HydrophobicContact CG-CB 4.18Å; P34-L160 WeakPolarHBondContact O-CB 3.12Å; P34-L160 PolarHBondContact O-N 2.7Å; L160-V211 HydrophobicContact CD1-CG1 3.84Å; L160-L223 HydrophobicContact CD1-CD1 4.33Å; L160-L223 HydrophobicContact CD2-CD1 3.67Å; L160-L223 HydrophobicContact CD2-CD2 4.16Å
161	K	55.9	Low	57.9	Low	111 Å²	111	84.8 Å²	84.8	48%	0.483	46%	0.456	S	S	.	.			trans	-75.4	118.3	163.5	-74.1	-173.5	178.4	-177.4	0	107.3	R159	R159-K161 PolarHBondContact O-N 2.74Å
162	M	46.4	Very low	55.3	Low	53 Å²	53	83.5 Å²	83.5	26%	0.261	46%	0.455	S	S	.	.	S	Bend	trans	-92.4	130	170.9	-61.4	-65.4	-62.1	0	0	108.1	L223	M162-L223 HydrophobicContact SD-CD2 4.06Å
163	G	40.4	Very low	52.4	Low	65 Å²	65	90.2 Å²	90.2	67%	0.67	50%	0.495	S	S	*	.	S	Bend	trans	101.2	-30.8	170.5	0	0	0	0	0	116.7
164	E	34.2	Very low	49.3	Very low	158 Å²	158	97 Å²	97	74%	0.738	53%	0.528	S	S	*	.			trans	-141.2	131.8	-179.3	-66.9	179.3	162.6	0	0	111.8
165	M	32.7	Very low	46	Very low	157 Å²	157	100.5 Å²	100.5	77%	0.773	55%	0.553	S	S	*	*			trans	-143.6	115.5	166.2	-132.9	177.3	74.1	0	0	110.3
166	E	28.1	Very low	42.9	Very low	170 Å²	170	105.2 Å²	105.2	79%	0.794	59%	0.586	S	S	*	*			trans	-65.2	158.4	171.4	-65.2	170.5	123.1	0	0	111.2	A168	E166-A168 PolarHBondContact O-N 3.23Å
167	E	27.5	Very low	39.8	Very low	183 Å²	183	109 Å²	109	86%	0.855	62%	0.615	S	S	*	*			trans	-62.6	114.8	178.4	-62.6	179.3	142.5	0	0	111.2	D169	E167-D169 PolarHBondContact O-N 3.43Å
168	A	27.2	Very low	36.8	Very low	100 Å²	100	118.6 Å²	118.6	83%	0.826	66%	0.66	S	S	*	*			trans	-90.2	83.6	171.2	0	0	0	0	0	109.9	E166	E166-A168 PolarHBondContact O-N 3.23Å
169	D	26.9	Very low	33.9	Very low	120 Å²	120	127.3 Å²	127.3	64%	0.642	70%	0.697	S	S	*	*			trans	-87.5	140.6	-172	-130	24.9	0	0	0	114.2	E167	E167-D169 PolarHBondContact O-N 3.43Å
170	H	29.1	Very low	31.1	Very low	163 Å²	163	129 Å²	129	76%	0.755	72%	0.721	S	S	*	*			trans	26.3	123.1	157.3	-57.8	-48.1	0	0	0	122.6
171	I	29.2	Very low	29.4	Very low	179 Å²	179	133.1 Å²	133.1	92%	0.918	75%	0.749	S	S	*	*			trans	-73.2	129.5	156.7	-65.1	176.9	0	0	0	109.6
172	A	26.6	Very low	27.7	Very low	86 Å²	86	135.2 Å²	135.2	71%	0.711	76%	0.764	S	S	*	*			trans	-59.9	153.8	-164.7	0	0	0	0	0	118.7
173	T	23.7	Very low	26.6	Very low	146 Å²	146	138.9 Å²	138.9	90%	0.896	79%	0.79	S	S	*	*			trans	-132.6	144.5	137.7	33.1	0	0	0	0	109.8
174	D	25	Very low	25.7	Very low	161 Å²	161	141.9 Å²	141.9	86%	0.861	80%	0.798	S	S	*	*			trans	-64.5	142.6	-169.4	-79.3	-59.3	0	0	0	115.9
175	S	22.6	Very low	25	Very low	108 Å²	108	143.3 Å²	143.3	76%	0.755	81%	0.805	S	S	*	*				170	135.8	108.4	46.5	0	0	0	0	116.5
176	S	23	Very low	24.6	Very low	100 Å²	100	142.1 Å²	142.1	70%	0.699	81%	0.809	S	S	*	*			trans	43.5	102.5	150.3	60.7	0	0	0	0	123.3
177	S	24.1	Very low	24.3	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	81%	0.807	S	S	*	*				52.9	114.7	126.9	66	0	0	0	0	123
178	Q	23.5	Very low	24.2	Very low	203 Å²	203	137.5 Å²	137.5	95%	0.949	81%	0.809	S	S	*	*				-163.4	175.2	127.5	-109.2	174.9	14.3	0	0	112.2
179	K	21.2	Very low	23.9	Very low	192 Å²	192	141 Å²	141	84%	0.835	81%	0.808	S	S	*	*			trans	-106.3	137.4	-158.1	-63.7	172.9	174.5	176.9	0	115.6
180	C	19.3	Very low	23.8	Very low	122 Å²	122	139.7 Å²	139.7	82%	0.824	81%	0.806	S	S	*	*			trans	57.7	168.6	137.4	-63.7	0	0	0	0	121.1
181	P	31.1	Very low	23.6	Very low	108 Å²	108	136 Å²	136	70%	0.701	80%	0.798	S	S	*	*			cis	-132	-159.2	-26.4	35.9	-15	0	0	0	113.4
182	L	20.3	Very low	23.7	Very low	154 Å²	154	132.7 Å²	132.7	81%	0.806	78%	0.781	S	S	*	*			trans	83.8	118.5	175.3	-59.5	134.2	0	0	0	114.1
183	V	23.9	Very low	24.2	Very low	131 Å²	131	131.3 Å²	131.3	79%	0.794	76%	0.761	S	S	*	*			cis	71	95.7	43.7	-172.6	0	0	0	0	113.7
184	C	19.6	Very low	24.6	Very low	127 Å²	127	130.6 Å²	130.6	86%	0.858	74%	0.742	S	S	*	*			trans	-155.1	129.5	142.5	-99.5	0	0	0	0	107.7
185	E	20.5	Very low	25.2	Very low	188 Å²	188	128.4 Å²	128.4	88%	0.879	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-76.5	146.1	172.1	-64.9	177.7	136.9	0	0	109.9
186	P	24.5	Very low	26.2	Very low	132 Å²	132	125.7 Å²	125.7	86%	0.857	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-74.5	133.9	172.4	-8.1	25.1	0	0	0	110.5
187	A	20.9	Very low	27.4	Very low	92 Å²	92	125.4 Å²	125.4	76%	0.76	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-76.8	151.4	172.8	0	0	0	0	0	111.8	Q189	A187-Q189 PolarHBondContact O-N 2.88Å
188	D	26	Very low	28.7	Very low	164 Å²	164	123.2 Å²	123.2	88%	0.877	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-57.8	122.3	-179	-62.9	-77.1	0	0	0	113.4
189	Q	21.1	Very low	30.5	Very low	173 Å²	173	114.5 Å²	114.5	81%	0.808	64%	0.636	S	S	*	*			trans	-117.5	117	166.6	-157.8	79	49.2	0	0	108.3	A187	A187-Q189 PolarHBondContact O-N 2.88Å
190	P	24.3	Very low	32.8	Very low	94 Å²	94	105.8 Å²	105.8	61%	0.61	60%	0.599	S	S	*	*			trans	-69.9	139.8	-174	26.1	-33.3	0	0	0	112.5	I192	P190-I192 PolarHBondContact O-N 3.45Å
191	C	25.1	Very low	34.9	Very low	86 Å²	86	100.7 Å²	100.7	58%	0.581	57%	0.568	S	S	*	*			trans	-71.8	112.2	-176	-179.5	0	0	0	0	112.6	D193 R194	C191-D193 PolarHBondContact O-N 3.36Å; C191-D193 VanDerWaalsContact O-N 3.15Å; C191-R194 PolarHBondContact O-N 3.37Å
192	I	32.3	Very low	37	Very low	108 Å²	108	95.6 Å²	95.6	55%	0.554	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.5	-175.4	-64.7	175.3	0	0	0	113.6	P190 R194	P190-I192 PolarHBondContact O-N 3.45Å; I192-R194 PolarHBondContact O-N 3.27Å
193	D	35.9	Very low	40	Very low	57 Å²	57	88.2 Å²	88.2	31%	0.305	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.2	-177.1	-86.2	29.2	0	0	0	114.1	C191 R225 R322	C191-D193 PolarHBondContact O-N 3.36Å; C191-D193 VanDerWaalsContact O-N 3.15Å; D193-R225 IonicContact OD2-NH1 2.83Å; D193-R322 IonicContact OD1-CZ 2.65Å; D193-R322 IonicContact OD1-NH1 2.79Å; D193-R322 PolarHBondContact OD1-NH1 2.91Å; D193-R322 IonicContact OD1-NH2 2.7Å; D193-R322 IonicContact OD2-NH1 3.84Å
194	R	33.1	Very low	43	Very low	131 Å²	131	82 Å²	82	49%	0.494	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-35.6	-173.1	-150.3	172.7	-160.5	-75.4	-22.9	114.1	L27 G28 C191 I192	L27-R194 PolarHBondContact O-NE 2.72Å; L27-R194 PolarHBondContact O-NH2 3.11Å; L27-R194 VanDerWaalsContact O-NH2 3.1Å; G28-R194 PolarHBondContact O-NE 3.02Å; G28-R194 PolarHBondContact O-NH2 2.77Å; C191-R194 PolarHBondContact O-N 3.37Å; I192-R194 PolarHBondContact O-N 3.27Å
195	E	37	Very low	46.1	Very low	115 Å²	115	81.6 Å²	81.6	54%	0.537	44%	0.438	S	S	.	.	H	α-helix	trans	-78.5	-37.5	-179.9	-62.2	-177.3	161.1	0	0	111.2	Y197 A198 L199	E195-Y197 VanDerWaalsContact C-N 3.26Å; E195-Y197 PolarHBondContact O-N 3.29Å; E195-A198 PolarHBondContact O-N 3.01Å; E195-L199 PolarHBondContact O-N 3.37Å
196	D	42.5	Very low	48.9	Very low	52 Å²	52	77 Å²	77	28%	0.278	42%	0.42	S	S	.	.	H	α-helix	trans	-57.8	-36.6	-178.1	-135.8	31.9	0	0	0	112.1	T200 R320	D196-T200 WeakPolarHBondContact O-CB 3.47Å; D196-T200 VanDerWaalsContact O-CG2 3.29Å; D196-T200 WeakPolarHBondContact O-CG2 3.44Å; D196-T200 PolarHBondContact O-N 3.49Å; D196-T200 PolarHBondContact O-OG1 3.1Å; D196-R320 IonicContact OD2-NH1 3.83Å; D196-R320 PolarHBondContact OD2-NH1 2.85Å
197	Y	49.5	Very low	51.5	Low	94 Å²	94	72.5 Å²	72.5	37%	0.369	39%	0.391	S	S	.	.	H	α-helix	trans	-76	-32	177.4	-166.5	-102.5	0	0	0	113.7	E195 L199 T200 G201	E195-Y197 VanDerWaalsContact C-N 3.26Å; E195-Y197 PolarHBondContact O-N 3.29Å; Y197-L199 VanDerWaalsContact C-N 3.31Å; Y197-L199 PolarHBondContact O-N 3.4Å; Y197-T200 WeakPolarHBondContact CA-OG1 3.36Å; Y197-T200 PolarHBondContact O-OG1 2.95Å; Y197-G201 PolarHBondContact O-N 3.35Å
198	A	51.9	Low	54.3	Low	64 Å²	64	69.3 Å²	69.3	53%	0.529	36%	0.362	S	S	.	.	H	α-helix	trans	-66.1	-36.6	178.2	0	0	0	0	0	111.6	E195	E195-A198 PolarHBondContact O-N 3.01Å
199	L	61.2	Low	56.9	Low	20 Å²	20	62.7 Å²	62.7	11%	0.105	33%	0.328	C	S	.	.	H	α-helix	trans	-77.2	-37.3	177.1	-76.3	155.4	0	0	0	113.7	E195 Y197 Y641 P722 I725	E195-L199 PolarHBondContact O-N 3.37Å; Y197-L199 VanDerWaalsContact C-N 3.31Å; Y197-L199 PolarHBondContact O-N 3.4Å; L199-Y641 WeakPolarHBondContact O-CE2 3.48Å; L199-P722 HydrophobicContact CD2-CG 3.82Å; L199-I725 HydrophobicContact CD1-CD1 3.64Å; L199-I725 HydrophobicContact CD2-CD1 3.54Å; L199-I725 HydrophobicContact CG-CD1 4.02Å
200	T	67.9	Low	59.7	Low	10 Å²	10	56.5 Å²	56.5	6%	0.061	30%	0.298	C	S	.	.	H	α-helix	trans	-84.6	-30.6	-175.8	49.8	0	0	0	0	113.8	D196 Y197 V203 F204 M638 Y641	D196-T200 WeakPolarHBondContact O-CB 3.47Å; D196-T200 VanDerWaalsContact O-CG2 3.29Å; D196-T200 WeakPolarHBondContact O-CG2 3.44Å; D196-T200 PolarHBondContact O-N 3.49Å; D196-T200 PolarHBondContact O-OG1 3.1Å; Y197-T200 WeakPolarHBondContact CA-OG1 3.36Å; Y197-T200 PolarHBondContact O-OG1 2.95Å; T200-V203 PolarHBondContact O-N 2.76Å; T200-F204 HydrophobicContact CG2-CD2 4.07Å; T200-F204 PolarHBondContact O-N 3.04Å; T200-M638 HydrophobicContact CG2-CE 3.91Å; T200-Y641 HydrophobicContact CG2-CD2 3.73Å; T200-Y641 HydrophobicContact CG2-CE2 4.32Å
201	G	63.6	Low	62.2	Low	15 Å²	15	52.3 Å²	52.3	16%	0.155	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-28	-174	0	0	0	0	0	118.3	Y197 V203	Y197-G201 PolarHBondContact O-N 3.35Å; G201-V203 VanDerWaalsContact C-N 3.33Å
202	P	75.4	Confident	65	Low	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-41.5	168.8	-23.6	33.1	0	0	0	112.7	T232 L701 L704 Q705	P202-T232 PolarHBondContact O-OG1 3.27Å; P202-L701 HydrophobicContact CG-CD2 3.81Å; P202-L704 HydrophobicContact CB-CB 4.04Å; P202-L704 HydrophobicContact CG-CB 3.63Å; P202-L704 HydrophobicContact CG-CD1 3.95Å; P202-L704 HydrophobicContact CG-CG 4.46Å; P202-Q705 VanDerWaalsContact C-NE2 3.34Å; P202-Q705 PolarHBondContact O-NE2 3.23Å
203	V	84.4	Confident	67.4	Low	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-35.6	-166.9	178.4	0	0	0	0	112.3	T200 G201 C231 T232 L233 V637 P706	T200-V203 PolarHBondContact O-N 2.76Å; G201-V203 VanDerWaalsContact C-N 3.33Å; V203-C231 WeakPolarHBondContact O-CA 3.47Å; V203-T232 WeakPolarHBondContact CA-OG1 3.47Å; V203-T232 PolarHBondContact O-N 3.32Å; V203-T232 PolarHBondContact O-OG1 3.13Å; V203-T232 VanDerWaalsContact O-OG1 3.11Å; V203-L233 HydrophobicContact CG1-CD1 3.97Å; V203-L233 HydrophobicContact CG1-CD2 4.4Å; V203-L233 HydrophobicContact CG1-CG 3.89Å; V203-V637 HydrophobicContact CB-CG1 4.45Å; V203-V637 HydrophobicContact CG1-CG1 4.18Å; V203-V637 HydrophobicContact CG2-CG1 4.26Å; V203-P706 HydrophobicContact CG2-CG 4.36Å
204	F	87.2	Confident	69.7	Low	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.4	-174.7	-55.7	-65.5	0	0	0	110.7	T200 E229 E230 C231 T318 V637 M638	T200-F204 HydrophobicContact CG2-CD2 4.07Å; T200-F204 PolarHBondContact O-N 3.04Å; F204-E229 HydrophobicContact CB-CB 4.03Å; F204-E230 WeakPolarHBondContact CA-O 3.14Å; F204-C231 HydrophobicContact CD1-CB 4.12Å; F204-C231 HydrophobicContact CE1-CB 4.07Å; F204-T318 HydrophobicContact CD1-CG2 3.54Å; F204-T318 HydrophobicContact CE1-CG2 3.27Å; F204-T318 HydrophobicContact CG-CG2 4.46Å; F204-T318 HydrophobicContact CZ-CG2 4.01Å; F204-V637 HydrophobicContact CE2-CG1 4.06Å; F204-V637 HydrophobicContact CZ-CG1 4.31Å; F204-M638 HydrophobicContact CD2-SD 4.34Å; F204-M638 HydrophobicContact CE2-CB 4.34Å; F204-M638 HydrophobicContact CE2-CE 4.32Å; F204-M638 HydrophobicContact CE2-SD 3.9Å; F204-M638 HydrophobicContact CZ-CB 3.92Å; F204-M638 HydrophobicContact CZ-SD 4.13Å
205	R	82.8	Confident	72	Confident	117 Å²	117	37.8 Å²	37.8	44%	0.442	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	167.3	-173.5	-64.6	-170.3	-178.9	-177.8	1.9	112.6	E230 T232	R205-E230 PolarHBondContact N-O 3.16Å; R205-E230 PolarHBondContact O-N 3.46Å; R205-T232 HydrophobicContact CG-CG2 4.01Å
206	N	79.5	Confident	74.3	Confident	92 Å²	92	32.9 Å²	32.9	49%	0.492	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.9	52.1	174.9	-56	-27.4	0	0	0	113.6	V208 E230 K891	N206-V208 PolarHBondContact O-N 2.82Å; N206-E230 WeakPolarHBondContact CB-OE2 3.28Å; N206-E230 PolarHBondContact ND2-OE2 2.69Å; N206-K891 PolarHBondContact O-NZ 3.49Å
207	P	80.4	Confident	76.3	Confident	38 Å²	38	34.7 Å²	34.7	25%	0.247	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	130.5	-175.5	25.1	-34.6	0	0	0	111.9	Q227 E229	P207-Q227 HydrophobicContact CB-CG 4.46Å; P207-E229 HydrophobicContact CB-CG 3.64Å
208	V	79.5	Confident	78	Confident	24 Å²	24	33.9 Å²	33.9	15%	0.145	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.8	166.9	-180	0	0	0	0	107.4	N206 Q227 M228 C884 E887	N206-V208 PolarHBondContact O-N 2.82Å; V208-Q227 CarbonylContact O-C 3.58Å; V208-Q227 WeakPolarHBondContact O-CA 3.29Å; V208-M228 HydrophobicContact CB-CB 4.49Å; V208-M228 HydrophobicContact CB-CE 4.18Å; V208-M228 HydrophobicContact CG2-CE 3.98Å; V208-M228 PolarHBondContact N-O 3.4Å; V208-M228 PolarHBondContact O-N 3.08Å; V208-C884 HydrophobicContact CB-CB 4.48Å; V208-C884 HydrophobicContact CG1-CB 4.06Å; V208-C884 PolarHBondContact O-SG 3.48Å; V208-E887 HydrophobicContact CG1-CB 3.91Å; V208-E887 HydrophobicContact CG1-CG 3.84Å
209	C	80	Confident	79.3	Confident	26 Å²	26	34.6 Å²	34.6	18%	0.176	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.9	179	-163.5	0	0	0	0	110.7	T90 R225 E226	T90-C209 HydrophobicContact CG2-CB 4.34Å; T90-C209 PolarHBondContact OG1-O 3.06Å; C209-R225 PolarHBondContact SG-NE 3.49Å; C209-E226 CarbonylContact C-O 3.58Å; C209-E226 WeakPolarHBondContact CA-O 3.34Å
210	K	80.3	Confident	80.2	Confident	42 Å²	42	37.1 Å²	37.1	18%	0.183	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	140.3	172.3	-64.5	-72.3	-179.8	146.5	0	108.4	Y212 R225 E226 E882 C884 E887	K210-Y212 HydrophobicContact CB-CE2 4.2Å; K210-R225 CarbonylContact O-C 3.45Å; K210-R225 WeakPolarHBondContact O-CA 3.43Å; K210-E226 HydrophobicContact CB-CB 4.47Å; K210-E226 PolarHBondContact N-O 3.42Å; K210-E226 PolarHBondContact O-N 3.13Å; K210-E882 VanDerWaalsContact CD-O 3.28Å; K210-E882 WeakPolarHBondContact CD-O 3.31Å; K210-E882 WeakPolarHBondContact CE-O 3.42Å; K210-E882 PolarHBondContact NZ-O 3.44Å; K210-C884 WeakPolarHBondContact CG-SG 3.49Å; K210-E887 WeakPolarHBondContact CE-OE1 3.27Å; K210-E887 IonicContact NZ-OE1 3.99Å; K210-E887 PolarHBondContact NZ-OE1 3.07Å
211	V	77.5	Confident	80.7	Confident	6 Å²	6	40.3 Å²	40.3	4%	0.036	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.6	-178.2	178.5	0	0	0	0	109.5	G88 T90 L160 L223 V224 R225	G88-V211 PolarHBondContact N-O 3.25Å; T90-V211 HydrophobicContact CG2-CB 4.43Å; T90-V211 HydrophobicContact CG2-CG2 3.55Å; L160-V211 HydrophobicContact CD1-CG1 3.84Å; V211-L223 HydrophobicContact CG1-CD1 3.52Å; V211-L223 HydrophobicContact CG1-CG 4.11Å; V211-V224 CarbonylContact C-O 3.57Å; V211-V224 WeakPolarHBondContact CA-O 3.16Å; V211-R225 HydrophobicContact CG2-CB 4.16Å; V211-R225 HydrophobicContact CG2-CG 4.13Å
212	Y	82.7	Confident	81.7	Confident	1 Å²	1	39.6 Å²	39.6	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.8	178.9	-42.9	-88.1	0	0	0	110.4	L86 T87 K210 F214 V224 E226 M879 G883	L86-Y212 CarbonylContact O-C 3.43Å; L86-Y212 WeakPolarHBondContact O-CA 3.4Å; T87-Y212 HydrophobicContact CG2-CD1 4.46Å; K210-Y212 HydrophobicContact CB-CE2 4.2Å; Y212-F214 VanDerWaalsContact CB-CZ 3.46Å; Y212-F214 HydrophobicContact CD1-CZ 4.08Å; Y212-F214 HydrophobicContact CD2-CE2 4.44Å; Y212-F214 HydrophobicContact CD2-CZ 4.42Å; Y212-F214 HydrophobicContact CG-CE2 4.09Å; Y212-F214 AromaticContact CG-CZ 3.74Å; Y212-F214 HydrophobicContact CG-CZ 3.74Å; Y212-V224 HydrophobicContact CD2-CB 4.28Å; Y212-V224 HydrophobicContact CD2-CG1 4.25Å; Y212-V224 PolarHBondContact N-O 3.33Å; Y212-V224 PolarHBondContact O-N 2.89Å; Y212-E226 HydrophobicContact CE2-CB 4.2Å; Y212-E226 HydrophobicContact CE2-CG 3.85Å; Y212-E226 VanDerWaalsContact CE2-OE2 3.26Å; Y212-E226 WeakPolarHBondContact CE2-OE2 3.39Å; Y212-E226 PolarHBondContact OH-OE2 2.96Å; Y212-M879 HydrophobicContact CD2-CG 4.43Å; Y212-M879 HydrophobicContact CE1-CG 4.15Å; Y212-M879 HydrophobicContact CE2-CE 4.48Å; Y212-M879 HydrophobicContact CE2-CG 4.02Å; Y212-G883 WeakPolarHBondContact OH-CA 3.38Å
213	R	83	Confident	82	Confident	32 Å²	32	40.8 Å²	40.8	12%	0.121	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.9	165.4	-147.5	178.8	70.3	-169.7	4	109.2	L36 E38 L86 W221 M222	L36-R213 HydrophobicContact CD1-CB 4.35Å; L36-R213 HydrophobicContact CD2-CB 4.01Å; E38-R213 IonicContact OE1-CZ 3.73Å; E38-R213 IonicContact OE1-NH1 3.22Å; E38-R213 PolarHBondContact OE1-NH1 3.14Å; L86-R213 WeakPolarHBondContact CD2-O 3.16Å; L86-R213 PolarHBondContact O-N 2.94Å; R213-W221 HydrophobicContact CB-CE3 4.17Å; R213-W221 HydrophobicContact CG-CB 3.94Å; R213-W221 HydrophobicContact CG-CD2 4.21Å; R213-W221 HydrophobicContact CG-CE3 3.71Å; R213-W221 HydrophobicContact CG-CG 4.34Å; R213-W221 HydrophobicContact CG-CZ3 4.5Å; R213-W221 VanDerWaalsContact NH2-CE2 3.29Å; R213-M222 WeakPolarHBondContact CA-O 3.31Å; R213-M222 VanDerWaalsContact CG-O 3.31Å; R213-M222 WeakPolarHBondContact CG-O 3.36Å
214	F	84.7	Confident	82.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	160.5	177.7	-57.8	-53.4	0	0	0	111.3	L86 Y212 W221 M222 V224 L861 L867 A875 M879	L86-F214 HydrophobicContact CB-CE1 4.38Å; L86-F214 HydrophobicContact CD1-CD1 4.36Å; L86-F214 HydrophobicContact CD1-CE1 4.23Å; L86-F214 HydrophobicContact CD2-CD1 4.45Å; Y212-F214 VanDerWaalsContact CB-CZ 3.46Å; Y212-F214 HydrophobicContact CD1-CZ 4.08Å; Y212-F214 HydrophobicContact CD2-CE2 4.44Å; Y212-F214 HydrophobicContact CD2-CZ 4.42Å; Y212-F214 HydrophobicContact CG-CE2 4.09Å; Y212-F214 AromaticContact CG-CZ 3.74Å; Y212-F214 HydrophobicContact CG-CZ 3.74Å; F214-W221 WeakPolarHBondContact O-CA 3.49Å; F214-M222 HydrophobicContact CB-CG 3.83Å; F214-M222 HydrophobicContact CB-SD 4.05Å; F214-M222 HydrophobicContact CD2-SD 4.43Å; F214-M222 PolarHBondContact N-O 3.25Å; F214-M222 WeakPolarHBondContact O-CG 2.89Å; F214-M222 PolarHBondContact O-N 2.99Å; F214-V224 HydrophobicContact CD2-CB 4.39Å; F214-V224 HydrophobicContact CD2-CG2 3.76Å; F214-V224 HydrophobicContact CE2-CB 4.3Å; F214-V224 HydrophobicContact CE2-CG2 4.11Å; F214-L861 HydrophobicContact CD2-CD1 3.89Å; F214-L861 HydrophobicContact CE2-CD1 3.85Å; F214-L867 HydrophobicContact CB-CD1 3.56Å; F214-L867 HydrophobicContact CG-CD1 4.16Å; F214-A875 HydrophobicContact CD1-CB 4Å; F214-A875 HydrophobicContact CD2-CB 4.29Å; F214-A875 HydrophobicContact CE1-CB 3.65Å; F214-A875 HydrophobicContact CE2-CB 3.95Å; F214-A875 HydrophobicContact CG-CB 4.32Å; F214-A875 HydrophobicContact CZ-CB 3.61Å; F214-M879 HydrophobicContact CE2-SD 4.27Å; F214-M879 HydrophobicContact CZ-CG 4.24Å; F214-M879 HydrophobicContact CZ-SD 4.38Å
215	Q	80.4	Confident	82	Confident	45 Å²	45	43.4 Å²	43.4	21%	0.21	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.8	-178.4	-159	171.7	25.5	0	0	111.2	S219 W221 S868 F871	Q215-S219 PolarHBondContact NE2-O 3.45Å; Q215-W221 HydrophobicContact CB-CE3 4.43Å; Q215-W221 HydrophobicContact CB-CZ3 4.38Å; Q215-S868 PolarHBondContact O-N 2.8Å; Q215-S868 VanDerWaalsContact O-N 3.09Å; Q215-F871 HydrophobicContact CB-CD2 4.4Å; Q215-F871 HydrophobicContact CB-CE1 4.27Å; Q215-F871 HydrophobicContact CB-CE2 4.11Å; Q215-F871 HydrophobicContact CB-CZ 4.03Å
216	T	85.4	Confident	82.2	Confident	12 Å²	12	37.8 Å²	37.8	7%	0.074	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-76.6	168.8	172.7	57.1	0	0	0	0	111.3	D218 S219 K220 M222 Q866	T216-D218 VanDerWaalsContact C-N 3.26Å; T216-D218 PolarHBondContact O-N 2.96Å; T216-D218 PolarHBondContact OG1-OD1 2.62Å; T216-S219 PolarHBondContact O-N 3.24Å; T216-S219 VanDerWaalsContact O-N 3.1Å; T216-K220 PolarHBondContact N-O 3.35Å; T216-K220 PolarHBondContact OG1-N 3.42Å; T216-K220 PolarHBondContact OG1-O 2.71Å; T216-M222 HydrophobicContact CG2-CB 4.23Å; T216-M222 HydrophobicContact CG2-CE 3.54Å; T216-Q866 CarbonylContact C-O 3.55Å; T216-Q866 VanDerWaalsContact CA-O 3.23Å; T216-Q866 WeakPolarHBondContact CA-O 3.2Å
217	V	85.9	Confident	82.5	Confident	90 Å²	90	34.8 Å²	34.8	55%	0.545	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.2	177.6	-66.2	0	0	0	0	114.5	S219 Q866	V217-S219 PolarHBondContact O-N 3.31Å; V217-Q866 WeakPolarHBondContact CG1-O 3.46Å; V217-Q866 HydrophobicContact CG2-CB 3.87Å; V217-Q866 PolarHBondContact N-O 2.87Å
218	D	84	Confident	83.1	Confident	77 Å²	77	33 Å²	33	41%	0.412	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	14.5	177.7	77	-4.9	0	0	0	112.9	T216 K220	T216-D218 VanDerWaalsContact C-N 3.26Å; T216-D218 PolarHBondContact O-N 2.96Å; T216-D218 PolarHBondContact OG1-OD1 2.62Å; D218-K220 PolarHBondContact O-N 3.44Å; D218-K220 WeakPolarHBondContact OD1-CB 3.33Å; D218-K220 VanDerWaalsContact OD1-CG 3.25Å; D218-K220 WeakPolarHBondContact OD1-CG 3.22Å; D218-K220 PolarHBondContact OD1-N 3.4Å; D218-K220 IonicContact OD2-NZ 2.9Å; D218-K220 PolarHBondContact OD2-NZ 2.78Å
219	S	79.8	Confident	83.6	Confident	78 Å²	78	32.1 Å²	32.1	55%	0.545	16%	0.163	S	C	.	.	S	Bend	trans	68	2.7	-177.3	-58.9	0	0	0	0	116.2	Q215 T216 V217	Q215-S219 PolarHBondContact NE2-O 3.45Å; T216-S219 PolarHBondContact O-N 3.24Å; T216-S219 VanDerWaalsContact O-N 3.1Å; V217-S219 PolarHBondContact O-N 3.31Å
220	K	80.3	Confident	84.1	Confident	73 Å²	73	31.2 Å²	31.2	32%	0.317	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-71.6	158.2	170.5	-63.8	-175.3	-172.8	104.8	0	111.8	T216 D218 P326 Q327	T216-K220 PolarHBondContact N-O 3.35Å; T216-K220 PolarHBondContact OG1-N 3.42Å; T216-K220 PolarHBondContact OG1-O 2.71Å; D218-K220 PolarHBondContact O-N 3.44Å; D218-K220 WeakPolarHBondContact OD1-CB 3.33Å; D218-K220 VanDerWaalsContact OD1-CG 3.25Å; D218-K220 WeakPolarHBondContact OD1-CG 3.22Å; D218-K220 PolarHBondContact OD1-N 3.4Å; D218-K220 IonicContact OD2-NZ 2.9Å; D218-K220 PolarHBondContact OD2-NZ 2.78Å; K220-P326 HydrophobicContact CB-CG 4.48Å; K220-P326 HydrophobicContact CD-CB 4.47Å; K220-Q327 VanDerWaalsContact NZ-CD 3.31Å
221	W	78.9	Confident	84.7	Confident	78 Å²	78	29.2 Å²	29.2	30%	0.295	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.1	178.6	-68.5	101.4	0	0	0	111.5	L86 R213 F214 Q215 P326	L86-W221 HydrophobicContact CD2-CZ3 4.29Å; R213-W221 HydrophobicContact CB-CE3 4.17Å; R213-W221 HydrophobicContact CG-CB 3.94Å; R213-W221 HydrophobicContact CG-CD2 4.21Å; R213-W221 HydrophobicContact CG-CE3 3.71Å; R213-W221 HydrophobicContact CG-CG 4.34Å; R213-W221 HydrophobicContact CG-CZ3 4.5Å; R213-W221 VanDerWaalsContact NH2-CE2 3.29Å; F214-W221 WeakPolarHBondContact O-CA 3.49Å; Q215-W221 HydrophobicContact CB-CE3 4.43Å; Q215-W221 HydrophobicContact CB-CZ3 4.38Å; W221-P326 VanDerWaalsContact O-CD 3.27Å; W221-P326 WeakPolarHBondContact O-CD 3.29Å; W221-P326 WeakPolarHBondContact O-CG 3.37Å
222	M	84.3	Confident	85.4	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	146	163.9	66.8	174.7	71.6	0	0	109.7	R213 F214 T216 V224 L861 H865 L867	R213-M222 WeakPolarHBondContact CA-O 3.31Å; R213-M222 VanDerWaalsContact CG-O 3.31Å; R213-M222 WeakPolarHBondContact CG-O 3.36Å; F214-M222 HydrophobicContact CB-CG 3.83Å; F214-M222 HydrophobicContact CB-SD 4.05Å; F214-M222 HydrophobicContact CD2-SD 4.43Å; F214-M222 PolarHBondContact N-O 3.25Å; F214-M222 WeakPolarHBondContact O-CG 2.89Å; F214-M222 PolarHBondContact O-N 2.99Å; T216-M222 HydrophobicContact CG2-CB 4.23Å; T216-M222 HydrophobicContact CG2-CE 3.54Å; M222-V224 HydrophobicContact CG-CG2 4.23Å; M222-V224 HydrophobicContact SD-CG2 3.99Å; M222-L861 HydrophobicContact SD-CB 4.48Å; M222-L861 HydrophobicContact SD-CD2 3.92Å; M222-H865 HydrophobicContact CE-CB 3.82Å; M222-H865 VanDerWaalsContact CE-O 3.23Å; M222-H865 WeakPolarHBondContact CE-O 3.37Å; M222-H865 HydrophobicContact SD-CB 4.29Å; M222-L867 HydrophobicContact CE-CB 3.88Å; M222-L867 HydrophobicContact CE-CD1 4.29Å; M222-L867 HydrophobicContact SD-CD1 4.46Å
223	L	81.5	Confident	85.9	Confident	25 Å²	25	29.6 Å²	29.6	13%	0.131	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.9	169	-170.6	72.5	0	0	0	108.8	L160 M162 V211 V323 T324	L160-L223 HydrophobicContact CD1-CD1 4.33Å; L160-L223 HydrophobicContact CD2-CD1 3.67Å; L160-L223 HydrophobicContact CD2-CD2 4.16Å; M162-L223 HydrophobicContact SD-CD2 4.06Å; V211-L223 HydrophobicContact CG1-CD1 3.52Å; V211-L223 HydrophobicContact CG1-CG 4.11Å; L223-V323 WeakPolarHBondContact O-CA 3.48Å; L223-T324 PolarHBondContact N-O 3.04Å; L223-T324 PolarHBondContact O-N 2.95Å
224	V	86.4	Confident	86.5	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.6	178.9	-178	0	0	0	0	108.6	V211 Y212 F214 M222 M321 R322 V323 L861	V211-V224 CarbonylContact C-O 3.57Å; V211-V224 WeakPolarHBondContact CA-O 3.16Å; Y212-V224 HydrophobicContact CD2-CB 4.28Å; Y212-V224 HydrophobicContact CD2-CG1 4.25Å; Y212-V224 PolarHBondContact N-O 3.33Å; Y212-V224 PolarHBondContact O-N 2.89Å; F214-V224 HydrophobicContact CD2-CB 4.39Å; F214-V224 HydrophobicContact CD2-CG2 3.76Å; F214-V224 HydrophobicContact CE2-CB 4.3Å; F214-V224 HydrophobicContact CE2-CG2 4.11Å; M222-V224 HydrophobicContact CG-CG2 4.23Å; M222-V224 HydrophobicContact SD-CG2 3.99Å; V224-M321 HydrophobicContact CG1-CG 3.64Å; V224-M321 HydrophobicContact CG1-SD 3.76Å; V224-R322 CarbonylContact C-O 3.11Å; V224-R322 WeakPolarHBondContact CA-O 3.32Å; V224-V323 HydrophobicContact CG2-CG1 4.21Å; V224-V323 HydrophobicContact CG2-CG2 4.46Å; V224-L861 HydrophobicContact CG1-CD1 4.38Å; V224-L861 HydrophobicContact CG1-CD2 4.3Å; V224-L861 HydrophobicContact CG2-CD1 4.03Å; V224-L861 HydrophobicContact CG2-CD2 3.54Å; V224-L861 HydrophobicContact CG2-CG 4.45Å
225	R	83.9	Confident	87	Confident	55 Å²	55	28.6 Å²	28.6	21%	0.208	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.5	174	173.9	177.9	168.4	-176.6	-3.9	109.1	D193 C209 K210 V211 M321 R322	D193-R225 IonicContact OD2-NH1 2.83Å; C209-R225 PolarHBondContact SG-NE 3.49Å; K210-R225 CarbonylContact O-C 3.45Å; K210-R225 WeakPolarHBondContact O-CA 3.43Å; V211-R225 HydrophobicContact CG2-CB 4.16Å; V211-R225 HydrophobicContact CG2-CG 4.13Å; R225-M321 CarbonylContact O-C 3.54Å; R225-M321 WeakPolarHBondContact O-CA 3.33Å; R225-R322 HydrophobicContact CB-CB 4.35Å; R225-R322 PolarHBondContact N-O 2.89Å; R225-R322 PolarHBondContact O-N 2.97Å
226	E	88.8	Confident	87.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135.1	165	-75.6	-166.9	94.6	0	0	110.6	C209 K210 Y212 Q319 R320 Q857 M879 C884	C209-E226 CarbonylContact C-O 3.58Å; C209-E226 WeakPolarHBondContact CA-O 3.34Å; K210-E226 HydrophobicContact CB-CB 4.47Å; K210-E226 PolarHBondContact N-O 3.42Å; K210-E226 PolarHBondContact O-N 3.13Å; Y212-E226 HydrophobicContact CE2-CB 4.2Å; Y212-E226 HydrophobicContact CE2-CG 3.85Å; Y212-E226 VanDerWaalsContact CE2-OE2 3.26Å; Y212-E226 WeakPolarHBondContact CE2-OE2 3.39Å; Y212-E226 PolarHBondContact OH-OE2 2.96Å; E226-Q319 PolarHBondContact OE1-NE2 3.39Å; E226-R320 CarbonylContact C-O 3.54Å; E226-R320 WeakPolarHBondContact CA-O 3.41Å; E226-Q857 PolarHBondContact OE1-NE2 2.69Å; E226-Q857 PolarHBondContact OE1-OE1 2.81Å; E226-M879 HydrophobicContact CG-CE 3.76Å; E226-M879 WeakPolarHBondContact OE2-CE 3.34Å; E226-C884 PolarHBondContact O-SG 2.92Å
227	Q	85.4	Confident	88.2	Confident	28 Å²	28	27.9 Å²	27.9	13%	0.131	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135	172.1	-178.3	164.4	-58.9	0	0	109.2	P207 V208 E229 Q319 R320	P207-Q227 HydrophobicContact CB-CG 4.46Å; V208-Q227 CarbonylContact O-C 3.58Å; V208-Q227 WeakPolarHBondContact O-CA 3.29Å; Q227-E229 HydrophobicContact CG-CG 4.27Å; Q227-E229 PolarHBondContact NE2-OE1 3.15Å; Q227-E229 VanDerWaalsContact NE2-OE1 3.15Å; Q227-E229 PolarHBondContact NE2-OE2 3.3Å; Q227-Q319 CarbonylContact O-C 3.58Å; Q227-Q319 WeakPolarHBondContact O-CA 3.4Å; Q227-R320 HydrophobicContact CB-CB 4.42Å; Q227-R320 PolarHBondContact N-O 2.92Å; Q227-R320 PolarHBondContact O-N 3.02Å
228	M	91.8	Very high	88.8	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.3	174.9	-178	-168.5	67.3	0	0	109.5	V208 H317 T318 C884 N888	V208-M228 HydrophobicContact CB-CB 4.49Å; V208-M228 HydrophobicContact CB-CE 4.18Å; V208-M228 HydrophobicContact CG2-CE 3.98Å; V208-M228 PolarHBondContact N-O 3.4Å; V208-M228 PolarHBondContact O-N 3.08Å; M228-H317 HydrophobicContact CG-CB 3.97Å; M228-H317 HydrophobicContact SD-CB 4.42Å; M228-T318 VanDerWaalsContact CA-O 3.31Å; M228-T318 WeakPolarHBondContact CA-O 3.45Å; M228-T318 VanDerWaalsContact CG-O 3.27Å; M228-T318 WeakPolarHBondContact CG-O 3.33Å; M228-C884 HydrophobicContact CB-CB 3.65Å; M228-C884 WeakPolarHBondContact CE-O 3.48Å; M228-N888 HydrophobicContact CE-CB 4Å; M228-N888 HydrophobicContact SD-CB 3.74Å
229	E	89.8	Confident	89.4	Confident	6 Å²	6	22.5 Å²	22.5	3%	0.028	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	153.7	-179.4	-71.3	152.4	123.2	0	0	111.8	F204 P207 Q227 H317 T318	F204-E229 HydrophobicContact CB-CB 4.03Å; P207-E229 HydrophobicContact CB-CG 3.64Å; Q227-E229 HydrophobicContact CG-CG 4.27Å; Q227-E229 PolarHBondContact NE2-OE1 3.15Å; Q227-E229 VanDerWaalsContact NE2-OE1 3.15Å; Q227-E229 PolarHBondContact NE2-OE2 3.3Å; E229-H317 CarbonylContact O-C 3.59Å; E229-H317 WeakPolarHBondContact O-CA 3.36Å; E229-H317 VanDerWaalsContact O-CB 3.31Å; E229-H317 WeakPolarHBondContact O-CB 3.23Å; E229-T318 WeakPolarHBondContact CB-OG1 3.48Å; E229-T318 PolarHBondContact N-O 3.42Å; E229-T318 PolarHBondContact N-OG1 3.35Å; E229-T318 PolarHBondContact O-N 3.43Å
230	E	91.9	Very high	90.3	Very high	7 Å²	7	21.2 Å²	21.2	3%	0.033	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.6	176.1	-64.3	164.4	-171.2	0	0	108.8	F204 R205 N206 S297 F298 K891	F204-E230 WeakPolarHBondContact CA-O 3.14Å; R205-E230 PolarHBondContact N-O 3.16Å; R205-E230 PolarHBondContact O-N 3.46Å; N206-E230 WeakPolarHBondContact CB-OE2 3.28Å; N206-E230 PolarHBondContact ND2-OE2 2.69Å; E230-S297 VanDerWaalsContact OE2-CB 3.26Å; E230-S297 WeakPolarHBondContact OE2-CB 3.44Å; E230-S297 PolarHBondContact OE2-OG 2.78Å; E230-F298 HydrophobicContact CB-CD1 4.38Å; E230-F298 HydrophobicContact CG-CD1 3.68Å; E230-F298 HydrophobicContact CG-CE1 4.15Å; E230-F298 WeakPolarHBondContact OE1-CE1 3.31Å; E230-K891 WeakPolarHBondContact OE1-CD 3.47Å; E230-K891 WeakPolarHBondContact OE1-CE 3.36Å; E230-K891 IonicContact OE1-NZ 2.77Å; E230-K891 PolarHBondContact OE1-NZ 3.34Å
231	C	92.9	Very high	91.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117.3	-175.8	-176.2	0	0	0	0	111.7	V203 F204 L233 S234 S297 L316 C634	V203-C231 WeakPolarHBondContact O-CA 3.47Å; F204-C231 HydrophobicContact CD1-CB 4.12Å; F204-C231 HydrophobicContact CE1-CB 4.07Å; C231-L233 PolarHBondContact O-N 3.09Å; C231-L233 VanDerWaalsContact O-N 3.16Å; C231-S234 WeakPolarHBondContact O-CB 3.38Å; C231-S234 PolarHBondContact O-N 3Å; C231-S297 VanDerWaalsContact O-O 3.08Å; C231-L316 HydrophobicContact CB-CD2 4.24Å; C231-L316 HydrophobicContact CB-CG 4.22Å; C231-C634 HydrophobicContact CB-CB 4.27Å; C231-C634 VanDerWaalsContact CB-SG 3.58Å; C231-C634 VanDerWaalsContact SG-CB 3.5Å; C231-C634 PolarHBondContact SG-SG 3.26Å
232	T	91.2	Very high	92.1	Very high	16 Å²	16	14 Å²	14	10%	0.098	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.9	-179.1	59.7	0	0	0	0	113	P202 V203 R205 S234 F235 T236	P202-T232 PolarHBondContact O-OG1 3.27Å; V203-T232 WeakPolarHBondContact CA-OG1 3.47Å; V203-T232 PolarHBondContact O-N 3.32Å; V203-T232 PolarHBondContact O-OG1 3.13Å; V203-T232 VanDerWaalsContact O-OG1 3.11Å; R205-T232 HydrophobicContact CG-CG2 4.01Å; T232-S234 PolarHBondContact O-N 3.11Å; T232-S234 VanDerWaalsContact O-N 3.09Å; T232-F235 PolarHBondContact O-N 2.96Å; T232-T236 PolarHBondContact O-N 3.22Å
233	L	94.4	Very high	92.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.8	-18.2	172.2	-51.6	-174.3	0	0	0	113.3	V203 C231 F235 T236 I237 P238 A633 V637 P706	V203-L233 HydrophobicContact CG1-CD1 3.97Å; V203-L233 HydrophobicContact CG1-CD2 4.4Å; V203-L233 HydrophobicContact CG1-CG 3.89Å; C231-L233 PolarHBondContact O-N 3.09Å; C231-L233 VanDerWaalsContact O-N 3.16Å; L233-F235 PolarHBondContact O-N 3.29Å; L233-F235 VanDerWaalsContact O-N 3.16Å; L233-T236 WeakPolarHBondContact CA-OG1 3.38Å; L233-T236 WeakPolarHBondContact CD2-OG1 3.45Å; L233-I237 HydrophobicContact CB-CG1 3.85Å; L233-I237 HydrophobicContact CD2-CG1 4.34Å; L233-I237 HydrophobicContact CG-CG1 4.49Å; L233-I237 PolarHBondContact O-N 3.36Å; L233-P238 WeakPolarHBondContact O-CD 3.46Å; L233-A633 HydrophobicContact CD1-CB 3.88Å; L233-V637 HydrophobicContact CD1-CG2 4.38Å; L233-P706 HydrophobicContact CD1-CG 4.24Å; L233-P706 HydrophobicContact CD2-CB 4.26Å; L233-P706 HydrophobicContact CD2-CG 3.97Å
234	S	95	Very high	93.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-52.8	-31.7	168.2	-171.2	0	0	0	0	112	C231 T232 P238 S297 I312 P313	C231-S234 WeakPolarHBondContact O-CB 3.38Å; C231-S234 PolarHBondContact O-N 3Å; T232-S234 PolarHBondContact O-N 3.11Å; T232-S234 VanDerWaalsContact O-N 3.09Å; S234-P238 WeakPolarHBondContact O-CG 3.3Å; S234-S297 WeakPolarHBondContact CB-O 3.39Å; S234-I312 WeakPolarHBondContact O-CG2 3.45Å; S234-I312 WeakPolarHBondContact OG-CG2 3.31Å; S234-P313 WeakPolarHBondContact O-CD 3.07Å
235	F	95.1	Very high	94.1	Very high	11 Å²	11	16.8 Å²	16.8	5%	0.048	9%	0.086	C	C	.	.	H	α-helix	trans	-113	-32	179.2	-75.8	-89.8	0	0	0	114.3	T232 L233 K239 L291 I294 G296 L309 I312	T232-F235 PolarHBondContact O-N 2.96Å; L233-F235 PolarHBondContact O-N 3.29Å; L233-F235 VanDerWaalsContact O-N 3.16Å; F235-K239 VanDerWaalsContact O-CG 3.26Å; F235-K239 WeakPolarHBondContact O-CG 3.4Å; F235-K239 PolarHBondContact O-N 2.81Å; F235-L291 HydrophobicContact CD1-CD2 4.27Å; F235-L291 HydrophobicContact CE1-CD2 4.22Å; F235-I294 HydrophobicContact CE1-CG2 3.88Å; F235-I294 HydrophobicContact CZ-CG2 4.15Å; F235-G296 VanDerWaalsContact CD2-O 3.3Å; F235-G296 WeakPolarHBondContact CD2-O 3.48Å; F235-L309 HydrophobicContact CE1-CD2 3.76Å; F235-L309 HydrophobicContact CZ-CD2 4.15Å; F235-I312 HydrophobicContact CD1-CD1 3.8Å; F235-I312 HydrophobicContact CD1-CG1 4.11Å; F235-I312 HydrophobicContact CD1-CG2 4.43Å; F235-I312 HydrophobicContact CE1-CD1 4.17Å; F235-I312 HydrophobicContact CE1-CG1 3.95Å; F235-I312 HydrophobicContact CE1-CG2 4.12Å; F235-I312 HydrophobicContact CE2-CG2 4.19Å; F235-I312 HydrophobicContact CG-CD1 4.4Å; F235-I312 HydrophobicContact CZ-CG2 4Å
236	T	94.4	Very high	94.7	Very high	41 Å²	41	14.7 Å²	14.7	25%	0.252	8%	0.079	S	C	.	.	H	α-helix	trans	-71.6	-43.3	-177.3	62	0	0	0	0	112.2	T232 L233 K239 Q240	T232-T236 PolarHBondContact O-N 3.22Å; L233-T236 WeakPolarHBondContact CA-OG1 3.38Å; L233-T236 WeakPolarHBondContact CD2-OG1 3.45Å; T236-K239 PolarHBondContact O-N 3.1Å; T236-Q240 WeakPolarHBondContact O-CG 3.33Å; T236-Q240 PolarHBondContact O-N 3.26Å; T236-Q240 VanDerWaalsContact O-N 3.09Å
237	I	97.1	Very high	95.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.6	-47.9	-179.8	-61.1	-66.9	0	0	0	111.7	L233 K239 Q240 L241 L629 A630 A633 V708	L233-I237 HydrophobicContact CB-CG1 3.85Å; L233-I237 HydrophobicContact CD2-CG1 4.34Å; L233-I237 HydrophobicContact CG-CG1 4.49Å; L233-I237 PolarHBondContact O-N 3.36Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 3.18Å; I237-Q240 PolarHBondContact O-N 3.15Å; I237-L241 HydrophobicContact CG2-CD1 4.12Å; I237-L241 HydrophobicContact CG2-CG 4.41Å; I237-L241 WeakPolarHBondContact O-CG 3.34Å; I237-L241 PolarHBondContact O-N 3.46Å; I237-L629 HydrophobicContact CG2-CB 4.34Å; I237-L629 HydrophobicContact CG2-CD2 4.08Å; I237-L629 HydrophobicContact CG2-CG 3.95Å; I237-A630 HydrophobicContact CB-CB 4.06Å; I237-A630 HydrophobicContact CG2-CB 4.15Å; I237-A633 HydrophobicContact CD1-CB 4.37Å; I237-A633 HydrophobicContact CG1-CB 4.4Å; I237-V708 HydrophobicContact CD1-CG2 3.43Å; I237-V708 VanDerWaalsContact CD1-CG2 3.43Å; I237-V708 HydrophobicContact CG2-CG2 4.28Å
238	P	97.8	Very high	95.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61	-36.1	175.8	-30.1	40.2	0	0	0	114.9	L233 S234 L242 F311 I312 S626 A630	L233-P238 WeakPolarHBondContact O-CD 3.46Å; S234-P238 WeakPolarHBondContact O-CG 3.3Å; P238-L242 WeakPolarHBondContact O-CB 3Å; P238-L242 WeakPolarHBondContact O-CG 2.91Å; P238-L242 PolarHBondContact O-N 2.99Å; P238-F311 HydrophobicContact CB-CB 4.1Å; P238-I312 HydrophobicContact CB-CD1 3.55Å; P238-I312 HydrophobicContact CG-CD1 3.68Å; P238-S626 WeakPolarHBondContact CB-OG 3.29Å; P238-S626 WeakPolarHBondContact CG-OG 3.33Å; P238-A630 HydrophobicContact CG-CB 4.45Å
239	K	97.5	Very high	95.5	Very high	54 Å²	54	20.7 Å²	20.7	24%	0.235	11%	0.107	C	C	.	.	H	α-helix	trans	-63.6	-47.1	175.4	-74.7	174.6	177.8	-175.5	0	111.1	F235 T236 I237 L242 S243 L288 L291	F235-K239 VanDerWaalsContact O-CG 3.26Å; F235-K239 WeakPolarHBondContact O-CG 3.4Å; F235-K239 PolarHBondContact O-N 2.81Å; T236-K239 PolarHBondContact O-N 3.1Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 3.18Å; K239-L242 PolarHBondContact O-N 3.3Å; K239-S243 PolarHBondContact O-N 2.77Å; K239-S243 VanDerWaalsContact O-N 3.1Å; K239-S243 PolarHBondContact O-OG 3.26Å; K239-L288 HydrophobicContact CB-CD1 3.96Å; K239-L288 HydrophobicContact CG-CD1 4Å; K239-L291 WeakPolarHBondContact CE-O 3.35Å; K239-L291 HydrophobicContact CG-CB 4.21Å; K239-L291 PolarHBondContact NZ-O 3.48Å
240	Q	97.9	Very high	95.8	Very high	51 Å²	51	27 Å²	27	24%	0.238	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-44.9	177.6	-68.2	-179.1	65.3	0	0	111.8	T236 I237 L242 S243 L244 P706 V708	T236-Q240 WeakPolarHBondContact O-CG 3.33Å; T236-Q240 PolarHBondContact O-N 3.26Å; T236-Q240 VanDerWaalsContact O-N 3.09Å; I237-Q240 PolarHBondContact O-N 3.15Å; Q240-L242 PolarHBondContact O-N 2.94Å; Q240-S243 WeakPolarHBondContact O-CB 3.36Å; Q240-S243 PolarHBondContact O-N 3.26Å; Q240-L244 WeakPolarHBondContact O-CG 3.11Å; Q240-L244 PolarHBondContact O-N 3.13Å; Q240-P706 PolarHBondContact NE2-O 3.49Å; Q240-P706 VanDerWaalsContact NE2-O 3.14Å; Q240-V708 HydrophobicContact CB-CB 4.35Å; Q240-V708 HydrophobicContact CB-CG2 4.45Å
241	L	98.4	Very high	95.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.2	-44.7	175.4	-75.4	176.4	0	0	0	112.7	I237 S243 L244 Y245 F625 L629 V708 F715	I237-L241 HydrophobicContact CG2-CD1 4.12Å; I237-L241 HydrophobicContact CG2-CG 4.41Å; I237-L241 WeakPolarHBondContact O-CG 3.34Å; I237-L241 PolarHBondContact O-N 3.46Å; L241-S243 VanDerWaalsContact C-N 3.32Å; L241-S243 PolarHBondContact O-N 3.3Å; L241-L244 PolarHBondContact O-N 3.15Å; L241-Y245 HydrophobicContact CB-CD2 4.46Å; L241-Y245 HydrophobicContact CB-CE2 3.88Å; L241-Y245 WeakPolarHBondContact O-CD2 3.43Å; L241-Y245 PolarHBondContact O-N 3.01Å; L241-F625 HydrophobicContact CD1-CD1 4.34Å; L241-F625 HydrophobicContact CD1-CE1 4.45Å; L241-F625 HydrophobicContact CD2-CE1 4.26Å; L241-L629 HydrophobicContact CD1-CD2 4.05Å; L241-L629 HydrophobicContact CD2-CD2 4.04Å; L241-L629 HydrophobicContact CG-CD2 4.35Å; L241-V708 HydrophobicContact CD2-CG1 4.12Å; L241-F715 HydrophobicContact CD2-CD1 4.23Å; L241-F715 HydrophobicContact CD2-CD2 4.47Å; L241-F715 HydrophobicContact CD2-CE1 3.84Å; L241-F715 HydrophobicContact CD2-CE2 4.07Å; L241-F715 HydrophobicContact CD2-CZ 3.74Å
242	L	98.3	Very high	95.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.5	-43.7	175.8	-79.1	165.4	0	0	0	111.7	P238 K239 Q240 Y245 I246 Y284 T287 L288 L291 F311	P238-L242 WeakPolarHBondContact O-CB 3Å; P238-L242 WeakPolarHBondContact O-CG 2.91Å; P238-L242 PolarHBondContact O-N 2.99Å; K239-L242 PolarHBondContact O-N 3.3Å; Q240-L242 PolarHBondContact O-N 2.94Å; L242-Y245 PolarHBondContact O-N 2.93Å; L242-I246 WeakPolarHBondContact O-CB 3.48Å; L242-I246 VanDerWaalsContact O-CD1 3.32Å; L242-I246 WeakPolarHBondContact O-CD1 3.14Å; L242-I246 WeakPolarHBondContact O-CG1 3.5Å; L242-I246 PolarHBondContact O-N 3.05Å; L242-Y284 HydrophobicContact CD2-CD1 3.94Å; L242-Y284 HydrophobicContact CD2-CG 3.91Å; L242-T287 HydrophobicContact CD1-CG2 4.04Å; L242-L288 HydrophobicContact CB-CB 4.39Å; L242-L288 HydrophobicContact CB-CD1 4.32Å; L242-L288 HydrophobicContact CD1-CB 4.35Å; L242-L291 HydrophobicContact CD1-CD1 3.65Å; L242-F311 HydrophobicContact CD1-CD2 4.48Å; L242-F311 HydrophobicContact CD1-CG 4.34Å; L242-F311 HydrophobicContact CD2-CD1 4.07Å; L242-F311 HydrophobicContact CD2-CD2 4.21Å; L242-F311 HydrophobicContact CD2-CE1 3.8Å; L242-F311 HydrophobicContact CD2-CE2 3.95Å; L242-F311 HydrophobicContact CD2-CG 4.28Å; L242-F311 HydrophobicContact CD2-CZ 3.75Å; L242-F311 HydrophobicContact CG-CD1 4.24Å; L242-F311 HydrophobicContact CG-CE1 4.42Å; L242-F311 HydrophobicContact CG-CG 4.39Å
243	S	98.3	Very high	95.6	Very high	55 Å²	55	33.3 Å²	33.3	39%	0.385	16%	0.163	S	C	.	.	H	α-helix	trans	-60	-44.7	174.3	-62.5	0	0	0	0	112.4	K239 Q240 L241 I246 Q247	K239-S243 PolarHBondContact O-N 2.77Å; K239-S243 VanDerWaalsContact O-N 3.1Å; K239-S243 PolarHBondContact O-OG 3.26Å; Q240-S243 WeakPolarHBondContact O-CB 3.36Å; Q240-S243 PolarHBondContact O-N 3.26Å; L241-S243 VanDerWaalsContact C-N 3.32Å; L241-S243 PolarHBondContact O-N 3.3Å; S243-I246 PolarHBondContact O-N 3.46Å; S243-Q247 WeakPolarHBondContact O-CB 3.3Å; S243-Q247 PolarHBondContact O-N 3.41Å
244	L	98.1	Very high	95.5	Very high	28 Å²	28	38.3 Å²	38.3	15%	0.147	19%	0.186	C	C	.	.	H	α-helix	trans	-64.6	-43.5	177.1	-68	171.8	0	0	0	111.9	Q240 L241 Q247 E248 V708 F715	Q240-L244 WeakPolarHBondContact O-CG 3.11Å; Q240-L244 PolarHBondContact O-N 3.13Å; L241-L244 PolarHBondContact O-N 3.15Å; L244-Q247 PolarHBondContact O-N 3.31Å; L244-E248 VanDerWaalsContact O-CB 3.32Å; L244-E248 WeakPolarHBondContact O-CB 3.38Å; L244-E248 PolarHBondContact O-N 3.1Å; L244-V708 HydrophobicContact CD1-CB 4.29Å; L244-V708 HydrophobicContact CD1-CG1 3.97Å; L244-F715 HydrophobicContact CB-CE1 4.42Å; L244-F715 HydrophobicContact CD1-CD1 4.17Å; L244-F715 HydrophobicContact CD1-CE1 3.8Å
245	Y	97.5	Very high	95.2	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-61.5	-44.5	175.7	-61.2	-33.7	0	0	0	112	L241 L242 Q247 E248 D249 Y284 F311 D622 F625 R712 F715	L241-Y245 HydrophobicContact CB-CD2 4.46Å; L241-Y245 HydrophobicContact CB-CE2 3.88Å; L241-Y245 WeakPolarHBondContact O-CD2 3.43Å; L241-Y245 PolarHBondContact O-N 3.01Å; L242-Y245 PolarHBondContact O-N 2.93Å; Y245-Q247 VanDerWaalsContact C-N 3.33Å; Y245-Q247 PolarHBondContact O-N 3.47Å; Y245-E248 PolarHBondContact O-N 2.95Å; Y245-D249 WeakPolarHBondContact O-CB 3.28Å; Y245-D249 VanDerWaalsContact O-CG 3.27Å; Y245-D249 PolarHBondContact O-N 3.01Å; Y245-Y284 HydrophobicContact CD2-CE2 4.3Å; Y245-Y284 HydrophobicContact CG-CE2 4.31Å; Y245-F311 HydrophobicContact CD2-CE1 4.44Å; Y245-F311 HydrophobicContact CE2-CE1 4.15Å; Y245-D622 HydrophobicContact CD2-CB 4.15Å; Y245-D622 HydrophobicContact CE2-CB 3.63Å; Y245-F625 WeakPolarHBondContact OH-CD1 3.22Å; Y245-R712 HydrophobicContact CD1-CG 3.84Å; Y245-R712 HydrophobicContact CE1-CG 3.61Å; Y245-F715 HydrophobicContact CD1-CZ 4.44Å; Y245-F715 HydrophobicContact CE1-CE2 4.27Å; Y245-F715 AromaticContact CE1-CZ 3.76Å; Y245-F715 HydrophobicContact CE1-CZ 3.76Å
246	I	97.8	Very high	95	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.051	19%	0.193	C	C	.	.	H	α-helix	trans	-60.3	-42.8	175	-70.4	160.2	0	0	0	110.7	L242 S243 R250 I281 Y284 Q285 L288	L242-I246 WeakPolarHBondContact O-CB 3.48Å; L242-I246 VanDerWaalsContact O-CD1 3.32Å; L242-I246 WeakPolarHBondContact O-CD1 3.14Å; L242-I246 WeakPolarHBondContact O-CG1 3.5Å; L242-I246 PolarHBondContact O-N 3.05Å; S243-I246 PolarHBondContact O-N 3.46Å; I246-R250 HydrophobicContact CG2-CG 4.41Å; I246-R250 VanDerWaalsContact O-CB 3.23Å; I246-R250 WeakPolarHBondContact O-CB 3.3Å; I246-R250 WeakPolarHBondContact O-CG 3.42Å; I246-R250 PolarHBondContact O-N 2.73Å; I246-I281 HydrophobicContact CG2-CG2 4.41Å; I246-Y284 HydrophobicContact CG1-CD2 4.38Å; I246-Q285 HydrophobicContact CD1-CG 3.82Å; I246-Q285 HydrophobicContact CG1-CG 4.31Å; I246-Q285 HydrophobicContact CG2-CG 4.4Å; I246-L288 HydrophobicContact CD1-CD2 4.08Å
247	Q	96.3	Very high	94.8	Very high	133 Å²	133	43.3 Å²	43.3	62%	0.621	21%	0.208	S	C	*	.	H	α-helix	trans	-66.4	-46.4	178.5	-177.8	177.8	-4.6	0	0	111.8	S243 L244 Y245 R250 S251	S243-Q247 WeakPolarHBondContact O-CB 3.3Å; S243-Q247 PolarHBondContact O-N 3.41Å; L244-Q247 PolarHBondContact O-N 3.31Å; Y245-Q247 VanDerWaalsContact C-N 3.33Å; Y245-Q247 PolarHBondContact O-N 3.47Å; Q247-R250 PolarHBondContact O-N 3.08Å; Q247-S251 PolarHBondContact O-N 2.89Å
248	E	92.8	Very high	94.5	Very high	21 Å²	21	46.1 Å²	46.1	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-45.5	179	-163.6	-167.1	158.7	0	0	111.2	L244 Y245 S251 R252 R711 R712	L244-E248 VanDerWaalsContact O-CB 3.32Å; L244-E248 WeakPolarHBondContact O-CB 3.38Å; L244-E248 PolarHBondContact O-N 3.1Å; Y245-E248 PolarHBondContact O-N 2.95Å; E248-S251 WeakPolarHBondContact O-CB 3.09Å; E248-S251 PolarHBondContact O-N 2.67Å; E248-R252 WeakPolarHBondContact O-CG 3.48Å; E248-R252 PolarHBondContact O-N 2.76Å; E248-R252 VanDerWaalsContact O-N 3.12Å; E248-R252 IonicContact OE1-CZ 3.6Å; E248-R252 IonicContact OE1-NH1 3.78Å; E248-R252 PolarHBondContact OE1-NH1 3.31Å; E248-R252 IonicContact OE1-NH2 2.71Å; E248-R252 PolarHBondContact OE1-NH2 3.23Å; E248-R252 IonicContact OE2-NH1 2.71Å; E248-R711 HydrophobicContact CG-CG 4.49Å; E248-R712 VanDerWaalsContact CD-NH1 3.31Å; E248-R712 IonicContact OE1-NH1 3.3Å; E248-R712 WeakPolarHBondContact OE2-CG 3.24Å; E248-R712 IonicContact OE2-CZ 3.17Å; E248-R712 PolarHBondContact OE2-N 3.11Å; E248-R712 IonicContact OE2-NE 2.67Å; E248-R712 IonicContact OE2-NH1 2.85Å; E248-R712 PolarHBondContact OE2-NH1 3.26Å
249	D	93.1	Very high	94.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-75.8	-30.5	-178.9	-62.4	-25.8	0	0	0	112.2	Y245 R252 V253 Y277 I281 R712	Y245-D249 WeakPolarHBondContact O-CB 3.28Å; Y245-D249 VanDerWaalsContact O-CG 3.27Å; Y245-D249 PolarHBondContact O-N 3.01Å; D249-R252 PolarHBondContact O-N 3.1Å; D249-R252 IonicContact OD1-CZ 2.69Å; D249-R252 IonicContact OD1-NH1 3.71Å; D249-R252 PolarHBondContact OD1-NH1 2.93Å; D249-V253 PolarHBondContact O-N 3.48Å; D249-V253 VanDerWaalsContact O-N 3.12Å; D249-Y277 HydrophobicContact CB-CD1 4.18Å; D249-I281 HydrophobicContact CB-CD1 3.95Å; D249-I281 HydrophobicContact CB-CG1 3.75Å; D249-R712 IonicContact OD1-CZ 3.6Å; D249-R712 IonicContact OD1-NH1 2.68Å; D249-R712 PolarHBondContact OD1-NH1 3.1Å; D249-R712 IonicContact OD1-NH2 3.76Å; D249-R712 IonicContact OD2-CZ 3.4Å; D249-R712 IonicContact OD2-NH1 3.2Å; D249-R712 PolarHBondContact OD2-NH1 2.82Å; D249-R712 IonicContact OD2-NH2 3.93Å; D249-R712 PolarHBondContact OD2-NH2 2.75Å
250	R	95.2	Very high	93.5	Very high	138 Å²	138	45.6 Å²	45.6	52%	0.521	23%	0.23	S	C	.	.	H	α-helix	trans	-63.8	-42.3	168.1	-80.9	173.2	173.3	174.5	-2.2	112	I246 Q247 R252 V253 Q254 I281	I246-R250 HydrophobicContact CG2-CG 4.41Å; I246-R250 VanDerWaalsContact O-CB 3.23Å; I246-R250 WeakPolarHBondContact O-CB 3.3Å; I246-R250 WeakPolarHBondContact O-CG 3.42Å; I246-R250 PolarHBondContact O-N 2.73Å; Q247-R250 PolarHBondContact O-N 3.08Å; R250-R252 VanDerWaalsContact C-N 3.3Å; R250-R252 PolarHBondContact O-N 2.85Å; R250-V253 PolarHBondContact O-N 3.48Å; R250-Q254 PolarHBondContact O-N 3.34Å; R250-I281 HydrophobicContact CG-CD1 4.13Å; R250-I281 HydrophobicContact CG-CG2 4.25Å
251	S	91.2	Very high	93	Very high	56 Å²	56	50.4 Å²	50.4	39%	0.392	25%	0.252	S	S	.	.	H	α-helix	trans	-59.7	-42.5	175.5	-165.9	0	0	0	0	111	Q247 E248 V253 Q254 D255	Q247-S251 PolarHBondContact O-N 2.89Å; E248-S251 WeakPolarHBondContact O-CB 3.09Å; E248-S251 PolarHBondContact O-N 2.67Å; S251-V253 VanDerWaalsContact C-N 3.35Å; S251-V253 PolarHBondContact O-N 2.98Å; S251-Q254 PolarHBondContact O-N 2.89Å; S251-D255 PolarHBondContact O-N 2.85Å
252	R	88.2	Confident	92.5	Very high	81 Å²	81	51 Å²	51	31%	0.306	26%	0.255	S	S	.	.	H	α-helix	trans	-59.9	-41.7	174.7	-71	174.1	171	115.5	12.4	112.9	E248 D249 R250 D255 L256	E248-R252 WeakPolarHBondContact O-CG 3.48Å; E248-R252 PolarHBondContact O-N 2.76Å; E248-R252 VanDerWaalsContact O-N 3.12Å; E248-R252 IonicContact OE1-CZ 3.6Å; E248-R252 IonicContact OE1-NH1 3.78Å; E248-R252 PolarHBondContact OE1-NH1 3.31Å; E248-R252 IonicContact OE1-NH2 2.71Å; E248-R252 PolarHBondContact OE1-NH2 3.23Å; E248-R252 IonicContact OE2-NH1 2.71Å; D249-R252 PolarHBondContact O-N 3.1Å; D249-R252 IonicContact OD1-CZ 2.69Å; D249-R252 IonicContact OD1-NH1 3.71Å; D249-R252 PolarHBondContact OD1-NH1 2.93Å; R250-R252 VanDerWaalsContact C-N 3.3Å; R250-R252 PolarHBondContact O-N 2.85Å; R252-D255 PolarHBondContact O-N 3.46Å; R252-L256 VanDerWaalsContact O-CG 3.26Å; R252-L256 WeakPolarHBondContact O-CG 3.44Å; R252-L256 PolarHBondContact O-N 2.78Å; R252-L256 VanDerWaalsContact O-N 3.14Å
253	V	92.3	Very high	92	Very high	20 Å²	20	51.4 Å²	51.4	12%	0.121	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-46.8	176.1	168.2	0	0	0	0	110.8	D249 R250 S251 D255 L256 E257 V274 Y277 I281	D249-V253 PolarHBondContact O-N 3.48Å; D249-V253 VanDerWaalsContact O-N 3.12Å; R250-V253 PolarHBondContact O-N 3.48Å; S251-V253 VanDerWaalsContact C-N 3.35Å; S251-V253 PolarHBondContact O-N 2.98Å; V253-D255 PolarHBondContact O-N 3.17Å; V253-L256 WeakPolarHBondContact O-CB 3.42Å; V253-L256 PolarHBondContact O-N 3.34Å; V253-E257 WeakPolarHBondContact O-CG 3.13Å; V253-E257 PolarHBondContact O-N 3.36Å; V253-V274 HydrophobicContact CG1-CG1 3.84Å; V253-V274 HydrophobicContact CG1-CG2 4.33Å; V253-Y277 HydrophobicContact CG2-CD2 4.5Å; V253-Y277 HydrophobicContact CG2-CG 4.22Å; V253-I281 HydrophobicContact CG2-CD1 4.06Å
254	Q	92.7	Very high	91.4	Very high	104 Å²	104	53.3 Å²	53.3	49%	0.486	27%	0.269	S	S	.	.	H	α-helix	trans	-58.8	-46.5	176.4	179.5	177.7	-12.4	0	0	111.6	R250 S251 L256 E257 E258	R250-Q254 PolarHBondContact O-N 3.34Å; S251-Q254 PolarHBondContact O-N 2.89Å; Q254-L256 VanDerWaalsContact C-N 3.25Å; Q254-L256 PolarHBondContact O-N 3.46Å; Q254-E257 PolarHBondContact O-N 2.95Å; Q254-E257 VanDerWaalsContact O-N 3.11Å; Q254-E258 HydrophobicContact CG-CG 4.35Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.21Å; Q254-E258 PolarHBondContact NE2-OE1 3.42Å; Q254-E258 WeakPolarHBondContact O-CB 3.41Å; Q254-E258 WeakPolarHBondContact O-CG 3.07Å; Q254-E258 PolarHBondContact O-N 3.08Å
255	D	89.6	Confident	90.8	Very high	30 Å²	30	56.6 Å²	56.6	16%	0.16	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-36.3	178.9	-64.6	-20.8	0	0	0	112	S251 R252 V253 E258 L259 K596 T600	S251-D255 PolarHBondContact O-N 2.85Å; R252-D255 PolarHBondContact O-N 3.46Å; V253-D255 PolarHBondContact O-N 3.17Å; D255-E258 PolarHBondContact O-N 2.86Å; D255-L259 PolarHBondContact O-N 3.31Å; D255-K596 WeakPolarHBondContact OD1-CE 3.25Å; D255-K596 IonicContact OD1-NZ 2.62Å; D255-K596 PolarHBondContact OD1-NZ 3.3Å; D255-T600 HydrophobicContact CB-CG2 3.95Å; D255-T600 WeakPolarHBondContact O-CG2 3.46Å
256	L	91.1	Very high	90.2	Very high	9 Å²	9	57.6 Å²	57.6	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-69.4	-39.6	175.8	-71	170.7	0	0	0	112.2	R252 V253 Q254 E258 L259 R270 V273 V274 Y277 T600 L604	R252-L256 VanDerWaalsContact O-CG 3.26Å; R252-L256 WeakPolarHBondContact O-CG 3.44Å; R252-L256 PolarHBondContact O-N 2.78Å; R252-L256 VanDerWaalsContact O-N 3.14Å; V253-L256 WeakPolarHBondContact O-CB 3.42Å; V253-L256 PolarHBondContact O-N 3.34Å; Q254-L256 VanDerWaalsContact C-N 3.25Å; Q254-L256 PolarHBondContact O-N 3.46Å; L256-E258 VanDerWaalsContact C-N 3.34Å; L256-L259 HydrophobicContact CD2-CD1 4.1Å; L256-L259 WeakPolarHBondContact O-CB 3.39Å; L256-L259 WeakPolarHBondContact O-CG 3.34Å; L256-L259 PolarHBondContact O-N 3.49Å; L256-R270 HydrophobicContact CB-CG 4.41Å; L256-R270 WeakPolarHBondContact O-CD 3.44Å; L256-R270 PolarHBondContact O-NH1 2.96Å; L256-V273 HydrophobicContact CD1-CG1 3.64Å; L256-V274 HydrophobicContact CB-CG2 4.07Å; L256-V274 HydrophobicContact CD1-CG2 4.02Å; L256-Y277 HydrophobicContact CD1-CD2 4.43Å; L256-Y277 HydrophobicContact CD1-CE2 4.41Å; L256-T600 HydrophobicContact CD2-CG2 3.87Å; L256-T600 HydrophobicContact CG-CG2 4.33Å; L256-L604 HydrophobicContact CD2-CB 3.72Å; L256-L604 HydrophobicContact CD2-CD1 3.96Å; L256-L604 HydrophobicContact CD2-CG 4.26Å
257	E	90.5	Very high	89.7	Confident	118 Å²	118	58.4 Å²	58.4	55%	0.551	29%	0.292	S	S	*	.	H	α-helix	trans	-64.7	-39.6	174.3	-69.1	174.5	170.1	0	0	110.8	V253 Q254 L259 G260 R270	V253-E257 WeakPolarHBondContact O-CG 3.13Å; V253-E257 PolarHBondContact O-N 3.36Å; Q254-E257 PolarHBondContact O-N 2.95Å; Q254-E257 VanDerWaalsContact O-N 3.11Å; E257-L259 PolarHBondContact O-N 3.49Å; E257-L259 VanDerWaalsContact O-N 3.15Å; E257-G260 PolarHBondContact O-N 3.39Å; E257-R270 PolarHBondContact O-NH1 3.5Å
258	E	90.3	Very high	89.4	Confident	60 Å²	60	57 Å²	57	28%	0.28	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-4.2	176.8	-73	175.1	-177.5	0	0	115.3	Q254 D255 L256 G260 K596 R597	Q254-E258 HydrophobicContact CG-CG 4.35Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.21Å; Q254-E258 PolarHBondContact NE2-OE1 3.42Å; Q254-E258 WeakPolarHBondContact O-CB 3.41Å; Q254-E258 WeakPolarHBondContact O-CG 3.07Å; Q254-E258 PolarHBondContact O-N 3.08Å; D255-E258 PolarHBondContact O-N 2.86Å; L256-E258 VanDerWaalsContact C-N 3.34Å; E258-G260 PolarHBondContact O-N 3.2Å; E258-K596 IonicContact OE2-NZ 2.96Å; E258-K596 PolarHBondContact OE2-NZ 3.13Å; E258-R597 PolarHBondContact O-NE 3.31Å
259	L	88.8	Confident	89	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.021	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.9	171.5	-70.6	176.5	0	0	0	113.5	D255 L256 E257 L262 R597 T600 F601 L604	D255-L259 PolarHBondContact O-N 3.31Å; L256-L259 HydrophobicContact CD2-CD1 4.1Å; L256-L259 WeakPolarHBondContact O-CB 3.39Å; L256-L259 WeakPolarHBondContact O-CG 3.34Å; L256-L259 PolarHBondContact O-N 3.49Å; E257-L259 PolarHBondContact O-N 3.49Å; E257-L259 VanDerWaalsContact O-N 3.15Å; L259-L262 HydrophobicContact CB-CD1 4.32Å; L259-L262 HydrophobicContact CD1-CD1 4.25Å; L259-R597 HydrophobicContact CD2-CB 4.31Å; L259-R597 WeakPolarHBondContact CD2-O 3.29Å; L259-T600 HydrophobicContact CD1-CG2 4.28Å; L259-T600 HydrophobicContact CD2-CG2 3.92Å; L259-T600 HydrophobicContact CG-CG2 4.1Å; L259-F601 HydrophobicContact CD2-CB 4.22Å; L259-L604 HydrophobicContact CD1-CD2 3.92Å
260	G	86.1	Confident	88.9	Confident	38 Å²	38	58.7 Å²	58.7	39%	0.392	30%	0.296	S	S	.	.			trans	82.1	-149.9	179.2	0	0	0	0	0	113.7	E257 E258 R270	E257-G260 PolarHBondContact O-N 3.39Å; E258-G260 PolarHBondContact O-N 3.2Å; G260-R270 PolarHBondContact O-NH1 3.13Å; G260-R270 PolarHBondContact O-NH2 3.42Å
261	E	86.6	Confident	88.7	Confident	153 Å²	153	57.3 Å²	57.3	72%	0.715	29%	0.294	S	S	*	.			trans	-76.3	123.1	-179.8	-67.1	-172.7	179.8	0	0	112	P452	E261-P452 HydrophobicContact CB-CG 4.11Å
262	L	88.5	Confident	88.6	Confident	12 Å²	12	58.9 Å²	58.9	6%	0.063	30%	0.295	C	S	.	.			trans	-120.6	153.6	177.4	-63.2	176.5	0	0	0	109.7	L259 W266 D267 L447 A450 F601 L604	L259-L262 HydrophobicContact CB-CD1 4.32Å; L259-L262 HydrophobicContact CD1-CD1 4.25Å; L262-W266 HydrophobicContact CB-CB 3.96Å; L262-W266 HydrophobicContact CD1-CB 4.28Å; L262-D267 HydrophobicContact CB-CB 4.21Å; L262-L447 HydrophobicContact CD2-CD1 3.85Å; L262-A450 HydrophobicContact CD2-CB 4.17Å; L262-F601 HydrophobicContact CD2-CE2 4.49Å; L262-L604 HydrophobicContact CD1-CD2 4.43Å
263	S	86.4	Confident	88.6	Confident	8 Å²	8	55.1 Å²	55.1	6%	0.056	28%	0.281	C	S	.	.			trans	-63.3	157	174.6	81.1	0	0	0	0	110.9	H265 W266 D267 A450	S263-H265 PolarHBondContact O-N 3.2Å; S263-W266 PolarHBondContact O-N 2.95Å; S263-D267 PolarHBondContact O-N 2.97Å; S263-A450 WeakPolarHBondContact CB-O 3.33Å; S263-A450 PolarHBondContact N-O 3.38Å
264	P	87.6	Confident	88.5	Confident	95 Å²	95	55.5 Å²	55.5	62%	0.617	28%	0.283	S	S	*	.	H	α-helix	trans	-54.5	-31.3	-171.4	-29.2	35.9	0	0	0	115.1	N268	P264-N268 VanDerWaalsContact O-CB 3.3Å; P264-N268 WeakPolarHBondContact O-CB 3.44Å; P264-N268 PolarHBondContact O-N 2.77Å; P264-N268 VanDerWaalsContact O-N 3.08Å; P264-N268 PolarHBondContact O-ND2 3.49Å
265	H	84	Confident	88.5	Confident	98 Å²	98	55.4 Å²	55.4	45%	0.454	29%	0.29	S	S	.	.	H	α-helix	trans	-66.2	-53.1	175.3	176.7	69.2	0	0	0	112	S263 N268 L269	S263-H265 PolarHBondContact O-N 3.2Å; H265-N268 PolarHBondContact O-N 3.25Å; H265-L269 PolarHBondContact O-N 3.33Å; H265-L269 VanDerWaalsContact O-N 3.1Å
266	W	84.8	Confident	88.5	Confident	21 Å²	21	56.3 Å²	56.3	8%	0.08	29%	0.291	C	S	.	.	H	α-helix	trans	-68.7	-34.1	-179.6	-69.9	118.8	0	0	0	112.6	L262 S263 L269 R270 C373 A450 F601 Q605	L262-W266 HydrophobicContact CB-CB 3.96Å; L262-W266 HydrophobicContact CD1-CB 4.28Å; S263-W266 PolarHBondContact O-N 2.95Å; W266-L269 HydrophobicContact CE3-CD2 3.74Å; W266-L269 HydrophobicContact CZ3-CD2 3.68Å; W266-L269 WeakPolarHBondContact O-CB 3.36Å; W266-L269 PolarHBondContact O-N 3.46Å; W266-R270 WeakPolarHBondContact O-CB 3.39Å; W266-R270 PolarHBondContact O-N 2.86Å; W266-C373 HydrophobicContact CZ2-CB 4.21Å; W266-A450 HydrophobicContact CD2-CB 4.48Å; W266-A450 HydrophobicContact CG-CB 3.98Å; W266-F601 HydrophobicContact CD2-CE2 4Å; W266-F601 AromaticContact CD2-CZ 3.9Å; W266-F601 HydrophobicContact CD2-CZ 3.9Å; W266-F601 AromaticContact CE2-CZ 3.86Å; W266-F601 HydrophobicContact CE3-CE2 4.03Å; W266-F601 HydrophobicContact CE3-CZ 4.03Å; W266-F601 HydrophobicContact CG-CE2 4.33Å; W266-F601 HydrophobicContact CG-CZ 4.5Å; W266-F601 HydrophobicContact CH2-CZ 4.16Å; W266-F601 AromaticContact CZ2-CZ 3.99Å; W266-F601 HydrophobicContact CZ2-CZ 3.99Å; W266-F601 HydrophobicContact CZ3-CZ 4.18Å; W266-Q605 HydrophobicContact CH2-CG 4.08Å; W266-Q605 VanDerWaalsContact CH2-NE2 3.33Å; W266-Q605 HydrophobicContact CZ3-CG 3.82Å
267	D	88.8	Confident	88.5	Confident	27 Å²	27	57.1 Å²	57.1	14%	0.144	29%	0.294	C	S	.	.	H	α-helix	trans	-69.6	-39.6	176.1	-174.6	55.3	0	0	0	112.5	L262 S263 L269 R270 K271	L262-D267 HydrophobicContact CB-CB 4.21Å; S263-D267 PolarHBondContact O-N 2.97Å; D267-L269 VanDerWaalsContact C-N 3.31Å; D267-L269 PolarHBondContact O-N 3.37Å; D267-R270 PolarHBondContact O-N 3.25Å; D267-R270 IonicContact OD1-CZ 2.78Å; D267-R270 IonicContact OD1-NE 2.77Å; D267-R270 PolarHBondContact OD1-NE 2.92Å; D267-R270 IonicContact OD1-NH2 3.91Å; D267-R270 PolarHBondContact OD1-NH2 2.65Å; D267-K271 WeakPolarHBondContact O-CB 3.29Å; D267-K271 VanDerWaalsContact O-CG 3.32Å; D267-K271 WeakPolarHBondContact O-CG 3.34Å; D267-K271 PolarHBondContact O-N 2.7Å; D267-K271 WeakPolarHBondContact OD2-CE 3.34Å; D267-K271 IonicContact OD2-NZ 2.67Å; D267-K271 PolarHBondContact OD2-NZ 3.33Å
268	N	88.5	Confident	88.6	Confident	103 Å²	103	53.3 Å²	53.3	55%	0.551	29%	0.286	S	S	*	.	H	α-helix	trans	-62.1	-41.2	171.3	-74.8	-17.1	0	0	0	111.4	P264 H265 K271 E272	P264-N268 VanDerWaalsContact O-CB 3.3Å; P264-N268 WeakPolarHBondContact O-CB 3.44Å; P264-N268 PolarHBondContact O-N 2.77Å; P264-N268 VanDerWaalsContact O-N 3.08Å; P264-N268 PolarHBondContact O-ND2 3.49Å; H265-N268 PolarHBondContact O-N 3.25Å; N268-K271 PolarHBondContact O-N 2.91Å; N268-E272 PolarHBondContact O-N 2.94Å
269	L	85.9	Confident	88.7	Confident	27 Å²	27	52.8 Å²	52.8	14%	0.141	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-44.5	176.8	-156.7	70.4	0	0	0	111.8	H265 W266 D267 E272 V273 A608	H265-L269 PolarHBondContact O-N 3.33Å; H265-L269 VanDerWaalsContact O-N 3.1Å; W266-L269 HydrophobicContact CE3-CD2 3.74Å; W266-L269 HydrophobicContact CZ3-CD2 3.68Å; W266-L269 WeakPolarHBondContact O-CB 3.36Å; W266-L269 PolarHBondContact O-N 3.46Å; D267-L269 VanDerWaalsContact C-N 3.31Å; D267-L269 PolarHBondContact O-N 3.37Å; L269-E272 PolarHBondContact O-N 3.28Å; L269-V273 WeakPolarHBondContact O-CG2 3.44Å; L269-V273 PolarHBondContact O-N 3Å; L269-A608 HydrophobicContact CD1-CB 3.67Å; L269-A608 HydrophobicContact CD2-CB 3.5Å; L269-A608 VanDerWaalsContact CD2-CB 3.5Å; L269-A608 HydrophobicContact CG-CB 3.43Å; L269-A608 VanDerWaalsContact CG-CB 3.43Å
270	R	90.1	Very high	88.9	Confident	30 Å²	30	53.1 Å²	53.1	11%	0.113	30%	0.298	C	S	.	.	H	α-helix	trans	-56.9	-50.6	171.7	169.4	172	62.2	-176.4	-2.6	111.4	L256 E257 G260 W266 D267 E272 V273 V274 L604	L256-R270 HydrophobicContact CB-CG 4.41Å; L256-R270 WeakPolarHBondContact O-CD 3.44Å; L256-R270 PolarHBondContact O-NH1 2.96Å; E257-R270 PolarHBondContact O-NH1 3.5Å; G260-R270 PolarHBondContact O-NH1 3.13Å; G260-R270 PolarHBondContact O-NH2 3.42Å; W266-R270 WeakPolarHBondContact O-CB 3.39Å; W266-R270 PolarHBondContact O-N 2.86Å; D267-R270 PolarHBondContact O-N 3.25Å; D267-R270 IonicContact OD1-CZ 2.78Å; D267-R270 IonicContact OD1-NE 2.77Å; D267-R270 PolarHBondContact OD1-NE 2.92Å; D267-R270 IonicContact OD1-NH2 3.91Å; D267-R270 PolarHBondContact OD1-NH2 2.65Å; R270-E272 VanDerWaalsContact C-N 3.29Å; R270-E272 PolarHBondContact O-N 3.07Å; R270-V273 PolarHBondContact O-N 3.37Å; R270-V274 HydrophobicContact CG-CG2 4.2Å; R270-V274 WeakPolarHBondContact O-CB 3.41Å; R270-V274 WeakPolarHBondContact O-CG2 3.42Å; R270-V274 PolarHBondContact O-N 3.18Å; R270-L604 HydrophobicContact CB-CD1 4.26Å; R270-L604 HydrophobicContact CB-CD2 4.14Å
271	K	90.8	Very high	89.4	Confident	110 Å²	110	52 Å²	52	48%	0.478	28%	0.283	S	S	.	.	H	α-helix	trans	-58.9	-40.2	179.5	-76.5	164	173.3	164.1	0	112.1	D267 N268 T275	D267-K271 WeakPolarHBondContact O-CB 3.29Å; D267-K271 VanDerWaalsContact O-CG 3.32Å; D267-K271 WeakPolarHBondContact O-CG 3.34Å; D267-K271 PolarHBondContact O-N 2.7Å; D267-K271 WeakPolarHBondContact OD2-CE 3.34Å; D267-K271 IonicContact OD2-NZ 2.67Å; D267-K271 PolarHBondContact OD2-NZ 3.33Å; N268-K271 PolarHBondContact O-N 2.91Å; K271-T275 VanDerWaalsContact O-CB 3.32Å; K271-T275 WeakPolarHBondContact O-CB 3.49Å; K271-T275 PolarHBondContact O-N 3.04Å; K271-T275 PolarHBondContact O-OG1 3.3Å
272	E	88.3	Confident	89.9	Confident	89 Å²	89	45.9 Å²	45.9	42%	0.416	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-50	175.3	-169.4	-176.1	172.8	0	0	111.3	N268 L269 R270 V274 T275 R276	N268-E272 PolarHBondContact O-N 2.94Å; L269-E272 PolarHBondContact O-N 3.28Å; R270-E272 VanDerWaalsContact C-N 3.29Å; R270-E272 PolarHBondContact O-N 3.07Å; E272-V274 PolarHBondContact O-N 2.87Å; E272-T275 WeakPolarHBondContact O-CB 3.33Å; E272-T275 PolarHBondContact O-N 3.09Å; E272-R276 VanDerWaalsContact O-CG 3.3Å; E272-R276 WeakPolarHBondContact O-CG 3.49Å; E272-R276 PolarHBondContact O-N 2.7Å; E272-R276 IonicContact OE1-CZ 3.25Å; E272-R276 IonicContact OE1-NE 2.74Å; E272-R276 PolarHBondContact OE1-NE 2.88Å; E272-R276 IonicContact OE1-NH2 3.73Å; E272-R276 PolarHBondContact OE1-NH2 2.78Å
273	V	88.1	Confident	90.2	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-45.6	178.4	170.2	0	0	0	0	111.9	L256 L269 R270 T275 R276 Y277 L604 A607 A608	L256-V273 HydrophobicContact CD1-CG1 3.64Å; L269-V273 WeakPolarHBondContact O-CG2 3.44Å; L269-V273 PolarHBondContact O-N 3Å; R270-V273 PolarHBondContact O-N 3.37Å; V273-T275 VanDerWaalsContact C-N 3.34Å; V273-T275 PolarHBondContact O-N 3.33Å; V273-R276 PolarHBondContact O-N 2.99Å; V273-Y277 HydrophobicContact CG1-CD2 3.73Å; V273-Y277 HydrophobicContact CG1-CE2 3.62Å; V273-Y277 WeakPolarHBondContact O-CD2 3.31Å; V273-Y277 PolarHBondContact O-N 2.93Å; V273-L604 HydrophobicContact CB-CD1 4.05Å; V273-L604 HydrophobicContact CG1-CD1 4.4Å; V273-L604 HydrophobicContact CG2-CD1 3.93Å; V273-A607 HydrophobicContact CB-CB 4.49Å; V273-A607 HydrophobicContact CG1-CB 3.57Å; V273-A607 HydrophobicContact CG2-CB 4.02Å; V273-A608 HydrophobicContact CG2-CB 3.99Å
274	V	92.1	Very high	90.7	Very high	27 Å²	27	46 Å²	46	16%	0.164	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-43.3	175.4	166.7	0	0	0	0	111.3	V253 L256 R270 E272 R276 Y277 G278	V253-V274 HydrophobicContact CG1-CG1 3.84Å; V253-V274 HydrophobicContact CG1-CG2 4.33Å; L256-V274 HydrophobicContact CB-CG2 4.07Å; L256-V274 HydrophobicContact CD1-CG2 4.02Å; R270-V274 HydrophobicContact CG-CG2 4.2Å; R270-V274 WeakPolarHBondContact O-CB 3.41Å; R270-V274 WeakPolarHBondContact O-CG2 3.42Å; R270-V274 PolarHBondContact O-N 3.18Å; E272-V274 PolarHBondContact O-N 2.87Å; V274-R276 VanDerWaalsContact C-N 3.34Å; V274-R276 PolarHBondContact O-N 2.73Å; V274-Y277 PolarHBondContact O-N 3.13Å; V274-G278 PolarHBondContact O-N 3.21Å
275	T	92.1	Very high	91.2	Very high	103 Å²	103	44.9 Å²	44.9	63%	0.632	25%	0.249	S	C	*	.	H	α-helix	trans	-61.1	-42.7	176.5	-58.5	0	0	0	0	111.5	K271 E272 V273 G278 G279	K271-T275 VanDerWaalsContact O-CB 3.32Å; K271-T275 WeakPolarHBondContact O-CB 3.49Å; K271-T275 PolarHBondContact O-N 3.04Å; K271-T275 PolarHBondContact O-OG1 3.3Å; E272-T275 WeakPolarHBondContact O-CB 3.33Å; E272-T275 PolarHBondContact O-N 3.09Å; V273-T275 VanDerWaalsContact C-N 3.34Å; V273-T275 PolarHBondContact O-N 3.33Å; T275-G278 PolarHBondContact O-N 3.16Å; T275-G279 PolarHBondContact O-N 3.5Å
276	R	88.3	Confident	91.8	Very high	49 Å²	49	45.9 Å²	45.9	19%	0.185	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-44.4	177.7	-65.9	168.6	-178.6	-169.3	2.5	112.1	E272 V273 V274 G279 I280 A607 S610 L615	E272-R276 VanDerWaalsContact O-CG 3.3Å; E272-R276 WeakPolarHBondContact O-CG 3.49Å; E272-R276 PolarHBondContact O-N 2.7Å; E272-R276 IonicContact OE1-CZ 3.25Å; E272-R276 IonicContact OE1-NE 2.74Å; E272-R276 PolarHBondContact OE1-NE 2.88Å; E272-R276 IonicContact OE1-NH2 3.73Å; E272-R276 PolarHBondContact OE1-NH2 2.78Å; V273-R276 PolarHBondContact O-N 2.99Å; V274-R276 VanDerWaalsContact C-N 3.34Å; V274-R276 PolarHBondContact O-N 2.73Å; R276-G279 PolarHBondContact O-N 2.93Å; R276-I280 PolarHBondContact O-N 3.21Å; R276-A607 PolarHBondContact NH1-O 2.9Å; R276-S610 PolarHBondContact NH1-O 3.26Å; R276-L615 HydrophobicContact CB-CD1 3.55Å; R276-L615 HydrophobicContact CG-CD1 4.38Å
277	Y	91.1	Very high	92.4	Very high	26 Å²	26	45.2 Å²	45.2	10%	0.102	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-43.2	173.2	-83.3	-66.4	0	0	0	111.7	D249 V253 L256 V273 V274 G279 I280 I281 A607 L615	D249-Y277 HydrophobicContact CB-CD1 4.18Å; V253-Y277 HydrophobicContact CG2-CD2 4.5Å; V253-Y277 HydrophobicContact CG2-CG 4.22Å; L256-Y277 HydrophobicContact CD1-CD2 4.43Å; L256-Y277 HydrophobicContact CD1-CE2 4.41Å; V273-Y277 HydrophobicContact CG1-CD2 3.73Å; V273-Y277 HydrophobicContact CG1-CE2 3.62Å; V273-Y277 WeakPolarHBondContact O-CD2 3.31Å; V273-Y277 PolarHBondContact O-N 2.93Å; V274-Y277 PolarHBondContact O-N 3.13Å; Y277-G279 PolarHBondContact O-N 3.29Å; Y277-I280 PolarHBondContact O-N 3.14Å; Y277-I280 VanDerWaalsContact O-N 3.1Å; Y277-I281 WeakPolarHBondContact O-CB 3.45Å; Y277-I281 WeakPolarHBondContact O-CD1 3.37Å; Y277-I281 VanDerWaalsContact O-CG1 3.24Å; Y277-I281 WeakPolarHBondContact O-CG1 3.49Å; Y277-I281 PolarHBondContact O-N 2.84Å; Y277-A607 HydrophobicContact CE2-CB 4.42Å; Y277-L615 HydrophobicContact CE1-CD2 4.24Å
278	G	93.7	Very high	92.8	Very high	38 Å²	38	44.9 Å²	44.9	39%	0.392	25%	0.251	S	S	.	.	H	α-helix	trans	-54.2	-38.9	174.3	0	0	0	0	0	113	V274 T275 G282	V274-G278 PolarHBondContact O-N 3.21Å; T275-G278 PolarHBondContact O-N 3.16Å; G278-G282 PolarHBondContact O-N 2.97Å
279	G	92.9	Very high	93.2	Very high	48 Å²	48	41.9 Å²	41.9	50%	0.495	24%	0.24	S	C	.	.	H	α-helix	trans	-62.6	-44.3	174.1	0	0	0	0	0	114.2	T275 R276 Y277 S283	T275-G279 PolarHBondContact O-N 3.5Å; R276-G279 PolarHBondContact O-N 2.93Å; Y277-G279 PolarHBondContact O-N 3.29Å; G279-S283 PolarHBondContact O-N 2.99Å
280	I	92.1	Very high	93.6	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.062	25%	0.25	C	S	.	.	H	α-helix	trans	-67	-47.7	175.1	-67.5	166.3	0	0	0	110.9	R276 Y277 G282 S283 Y284 L615	R276-I280 PolarHBondContact O-N 3.21Å; Y277-I280 PolarHBondContact O-N 3.14Å; Y277-I280 VanDerWaalsContact O-N 3.1Å; I280-G282 PolarHBondContact O-N 3.44Å; I280-S283 CarbonylContact O-C 3.47Å; I280-S283 WeakPolarHBondContact O-CA 3.17Å; I280-S283 WeakPolarHBondContact O-CB 3.34Å; I280-S283 PolarHBondContact O-N 3.02Å; I280-Y284 HydrophobicContact CG2-CD1 4.26Å; I280-Y284 HydrophobicContact CG2-CD2 3.73Å; I280-Y284 HydrophobicContact CG2-CE1 3.91Å; I280-Y284 HydrophobicContact CG2-CE2 3.36Å; I280-Y284 HydrophobicContact CG2-CG 4.18Å; I280-Y284 VanDerWaalsContact CG2-CZ 3.48Å; I280-Y284 PolarHBondContact O-N 3.28Å; I280-L615 HydrophobicContact CD1-CB 3.55Å; I280-L615 HydrophobicContact CD1-CD1 4.12Å; I280-L615 HydrophobicContact CD1-CD2 3.65Å; I280-L615 HydrophobicContact CD1-CG 3.93Å
281	I	96.1	Very high	93.8	Very high	15 Å²	15	42.8 Å²	42.8	8%	0.077	25%	0.245	C	C	.	.	H	α-helix	trans	-55.5	-43.9	179.4	-71.5	164.6	0	0	0	110	I246 D249 R250 V253 Y277 Y284 Q285	I246-I281 HydrophobicContact CG2-CG2 4.41Å; D249-I281 HydrophobicContact CB-CD1 3.95Å; D249-I281 HydrophobicContact CB-CG1 3.75Å; R250-I281 HydrophobicContact CG-CD1 4.13Å; R250-I281 HydrophobicContact CG-CG2 4.25Å; V253-I281 HydrophobicContact CG2-CD1 4.06Å; Y277-I281 WeakPolarHBondContact O-CB 3.45Å; Y277-I281 WeakPolarHBondContact O-CD1 3.37Å; Y277-I281 VanDerWaalsContact O-CG1 3.24Å; Y277-I281 WeakPolarHBondContact O-CG1 3.49Å; Y277-I281 PolarHBondContact O-N 2.84Å; I281-Y284 PolarHBondContact O-N 2.91Å; I281-Q285 WeakPolarHBondContact O-CB 3.48Å; I281-Q285 WeakPolarHBondContact O-CG 3.43Å; I281-Q285 PolarHBondContact O-N 2.99Å
282	G	96.9	Very high	93.9	Very high	24 Å²	24	43.7 Å²	43.7	25%	0.247	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-47.3	171.8	0	0	0	0	0	112.8	G278 I280 Y284 Q285 E286	G278-G282 PolarHBondContact O-N 2.97Å; I280-G282 PolarHBondContact O-N 3.44Å; G282-Y284 VanDerWaalsContact C-N 3.28Å; G282-Y284 PolarHBondContact O-N 2.98Å; G282-Q285 PolarHBondContact O-N 2.93Å; G282-E286 PolarHBondContact O-N 3.33Å
283	S	95.3	Very high	94	Very high	22 Å²	22	46.3 Å²	46.3	15%	0.154	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-33	177.3	-174.9	0	0	0	0	113.5	G279 I280 T287 Q619	G279-S283 PolarHBondContact O-N 2.99Å; I280-S283 CarbonylContact O-C 3.47Å; I280-S283 WeakPolarHBondContact O-CA 3.17Å; I280-S283 WeakPolarHBondContact O-CB 3.34Å; I280-S283 PolarHBondContact O-N 3.02Å; S283-T287 WeakPolarHBondContact O-CB 3.4Å; S283-T287 PolarHBondContact O-N 3.14Å; S283-T287 PolarHBondContact O-OG1 3.05Å; S283-Q619 PolarHBondContact OG-NE2 3.36Å
284	Y	97.7	Very high	94	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-76.2	-39.7	175.4	-69	-10.3	0	0	0	111.5	L242 Y245 I246 I280 I281 G282 T287 L288 F311 Q619 D622	L242-Y284 HydrophobicContact CD2-CD1 3.94Å; L242-Y284 HydrophobicContact CD2-CG 3.91Å; Y245-Y284 HydrophobicContact CD2-CE2 4.3Å; Y245-Y284 HydrophobicContact CG-CE2 4.31Å; I246-Y284 HydrophobicContact CG1-CD2 4.38Å; I280-Y284 HydrophobicContact CG2-CD1 4.26Å; I280-Y284 HydrophobicContact CG2-CD2 3.73Å; I280-Y284 HydrophobicContact CG2-CE1 3.91Å; I280-Y284 HydrophobicContact CG2-CE2 3.36Å; I280-Y284 HydrophobicContact CG2-CG 4.18Å; I280-Y284 VanDerWaalsContact CG2-CZ 3.48Å; I280-Y284 PolarHBondContact O-N 3.28Å; I281-Y284 PolarHBondContact O-N 2.91Å; G282-Y284 VanDerWaalsContact C-N 3.28Å; G282-Y284 PolarHBondContact O-N 2.98Å; Y284-T287 PolarHBondContact O-N 2.95Å; Y284-L288 WeakPolarHBondContact O-CB 3.48Å; Y284-L288 PolarHBondContact O-N 3.37Å; Y284-F311 HydrophobicContact CD1-CE2 4.49Å; Y284-F311 HydrophobicContact CD1-CZ 4.02Å; Y284-F311 HydrophobicContact CE1-CE2 4.4Å; Y284-F311 AromaticContact CE1-CZ 3.64Å; Y284-F311 HydrophobicContact CE1-CZ 3.64Å; Y284-Q619 HydrophobicContact CE1-CG 4.05Å; Y284-Q619 WeakPolarHBondContact OH-CA 3.48Å; Y284-D622 PolarHBondContact OH-OD2 3.27Å
285	Q	98	Very high	93	Very high	72 Å²	72	53.5 Å²	53.5	34%	0.336	31%	0.307	S	S	.	.	H	α-helix	trans	-61.5	-46.7	173.4	-73.8	165.1	15.4	0	0	111.8	I246 I281 G282 T287 L288 A289	I246-Q285 HydrophobicContact CD1-CG 3.82Å; I246-Q285 HydrophobicContact CG1-CG 4.31Å; I246-Q285 HydrophobicContact CG2-CG 4.4Å; I281-Q285 WeakPolarHBondContact O-CB 3.48Å; I281-Q285 WeakPolarHBondContact O-CG 3.43Å; I281-Q285 PolarHBondContact O-N 2.99Å; G282-Q285 PolarHBondContact O-N 2.93Å; Q285-T287 VanDerWaalsContact C-N 3.32Å; Q285-T287 PolarHBondContact O-N 2.85Å; Q285-L288 PolarHBondContact O-N 3.1Å; Q285-A289 WeakPolarHBondContact O-CB 3.22Å; Q285-A289 PolarHBondContact O-N 3.16Å
286	E	97.1	Very high	92.1	Very high	118 Å²	118	50.8 Å²	50.8	55%	0.551	30%	0.3	S	S	*	.	H	α-helix	trans	-54.6	-48.7	172.8	-77.3	-174.8	172	0	0	111.3	G282 L288 A289 E290 K307	G282-E286 PolarHBondContact O-N 3.33Å; E286-L288 PolarHBondContact O-N 3.38Å; E286-A289 PolarHBondContact O-N 3.32Å; E286-E290 WeakPolarHBondContact O-CG 3.36Å; E286-E290 PolarHBondContact O-N 2.99Å; E286-K307 IonicContact OE2-NZ 3.61Å; E286-K307 PolarHBondContact OE2-NZ 2.84Å
287	T	96.5	Very high	91.7	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.043	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-42.2	-177.6	-55.1	0	0	0	0	111.4	L242 S283 Y284 Q285 E290 L291 F311	L242-T287 HydrophobicContact CD1-CG2 4.04Å; S283-T287 WeakPolarHBondContact O-CB 3.4Å; S283-T287 PolarHBondContact O-N 3.14Å; S283-T287 PolarHBondContact O-OG1 3.05Å; Y284-T287 PolarHBondContact O-N 2.95Å; Q285-T287 VanDerWaalsContact C-N 3.32Å; Q285-T287 PolarHBondContact O-N 2.85Å; T287-E290 PolarHBondContact O-N 3.26Å; T287-L291 HydrophobicContact CG2-CD1 4.28Å; T287-L291 VanDerWaalsContact O-CG 3.29Å; T287-L291 WeakPolarHBondContact O-CG 3.16Å; T287-L291 PolarHBondContact O-N 3.49Å; T287-F311 HydrophobicContact CG2-CD2 3.85Å; T287-F311 HydrophobicContact CG2-CE2 4.23Å
288	L	97.2	Very high	91.7	Very high	21 Å²	21	49.4 Å²	49.4	11%	0.11	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-47.1	177	-178.2	58.9	0	0	0	111.5	K239 L242 I246 Y284 Q285 E286 E290 L291 E292	K239-L288 HydrophobicContact CB-CD1 3.96Å; K239-L288 HydrophobicContact CG-CD1 4Å; L242-L288 HydrophobicContact CB-CB 4.39Å; L242-L288 HydrophobicContact CB-CD1 4.32Å; L242-L288 HydrophobicContact CD1-CB 4.35Å; I246-L288 HydrophobicContact CD1-CD2 4.08Å; Y284-L288 WeakPolarHBondContact O-CB 3.48Å; Y284-L288 PolarHBondContact O-N 3.37Å; Q285-L288 PolarHBondContact O-N 3.1Å; E286-L288 PolarHBondContact O-N 3.38Å; L288-E290 VanDerWaalsContact C-N 3.3Å; L288-E290 PolarHBondContact O-N 3.26Å; L288-L291 PolarHBondContact O-N 2.87Å; L288-L291 VanDerWaalsContact O-N 3.09Å; L288-E292 WeakPolarHBondContact O-CG 3.48Å; L288-E292 PolarHBondContact O-N 2.85Å
289	A	96.8	Very high	91.8	Very high	39 Å²	39	47.7 Å²	47.7	32%	0.322	28%	0.281	S	S	.	.	H	α-helix	trans	-64	-32.3	178.1	0	0	0	0	0	112.8	Q285 E286 K293	Q285-A289 WeakPolarHBondContact O-CB 3.22Å; Q285-A289 PolarHBondContact O-N 3.16Å; E286-A289 PolarHBondContact O-N 3.32Å; A289-K293 WeakPolarHBondContact O-CE 3.47Å; A289-K293 WeakPolarHBondContact O-CG 3.45Å
290	E	95.3	Very high	91.7	Very high	77 Å²	77	47 Å²	47	36%	0.36	27%	0.267	S	S	.	.	H	α-helix	trans	-70.1	-41.2	170.8	-72.1	-59.2	116	0	0	112	E286 T287 L288 E292 K293 I294	E286-E290 WeakPolarHBondContact O-CG 3.36Å; E286-E290 PolarHBondContact O-N 2.99Å; T287-E290 PolarHBondContact O-N 3.26Å; L288-E290 VanDerWaalsContact C-N 3.3Å; L288-E290 PolarHBondContact O-N 3.26Å; E290-E292 VanDerWaalsContact C-N 3.31Å; E290-E292 PolarHBondContact O-N 2.88Å; E290-K293 PolarHBondContact O-N 3.03Å; E290-K293 IonicContact OE1-NZ 3.63Å; E290-K293 PolarHBondContact OE1-NZ 3.36Å; E290-I294 WeakPolarHBondContact O-CG1 3.29Å
291	L	94.1	Very high	91.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.2	-30.8	177	-71.9	176.4	0	0	0	113.1	F235 K239 L242 T287 L288 K293 I294 S308 L309 I312	F235-L291 HydrophobicContact CD1-CD2 4.27Å; F235-L291 HydrophobicContact CE1-CD2 4.22Å; K239-L291 WeakPolarHBondContact CE-O 3.35Å; K239-L291 HydrophobicContact CG-CB 4.21Å; K239-L291 PolarHBondContact NZ-O 3.48Å; L242-L291 HydrophobicContact CD1-CD1 3.65Å; T287-L291 HydrophobicContact CG2-CD1 4.28Å; T287-L291 VanDerWaalsContact O-CG 3.29Å; T287-L291 WeakPolarHBondContact O-CG 3.16Å; T287-L291 PolarHBondContact O-N 3.49Å; L288-L291 PolarHBondContact O-N 2.87Å; L288-L291 VanDerWaalsContact O-N 3.09Å; L291-K293 VanDerWaalsContact C-N 3.3Å; L291-K293 PolarHBondContact O-N 3.13Å; L291-I294 HydrophobicContact CD2-CD1 4.48Å; L291-I294 PolarHBondContact O-N 3.3Å; L291-S308 WeakPolarHBondContact CD2-O 3.34Å; L291-L309 HydrophobicContact CD2-CD2 3.86Å; L291-I312 HydrophobicContact CD1-CD1 3.88Å; L291-I312 HydrophobicContact CD1-CG1 4.49Å; L291-I312 HydrophobicContact CD2-CD1 3.66Å; L291-I312 HydrophobicContact CD2-CG1 3.6Å; L291-I312 HydrophobicContact CG-CD1 4.43Å
292	E	92.2	Very high	91.4	Very high	129 Å²	129	50.1 Å²	50.1	60%	0.603	29%	0.29	S	S	*	.	H	α-helix	trans	-63.3	-33.6	174.1	-76.7	174.7	175.8	0	0	112.8	L288 E290 I294	L288-E292 WeakPolarHBondContact O-CG 3.48Å; L288-E292 PolarHBondContact O-N 2.85Å; E290-E292 VanDerWaalsContact C-N 3.31Å; E290-E292 PolarHBondContact O-N 2.88Å; E292-I294 VanDerWaalsContact C-N 3.32Å; E292-I294 PolarHBondContact O-N 3.42Å
293	K	91.4	Very high	91.2	Very high	144 Å²	144	50.5 Å²	50.5	63%	0.626	29%	0.289	S	S	*	.	H	α-helix	trans	-74	-20.7	177.4	-61.4	164.4	-166.2	173.7	0	113.3	A289 E290 L291 S295	A289-K293 WeakPolarHBondContact O-CE 3.47Å; A289-K293 WeakPolarHBondContact O-CG 3.45Å; E290-K293 PolarHBondContact O-N 3.03Å; E290-K293 IonicContact OE1-NZ 3.63Å; E290-K293 PolarHBondContact OE1-NZ 3.36Å; L291-K293 VanDerWaalsContact C-N 3.3Å; L291-K293 PolarHBondContact O-N 3.13Å; K293-S295 PolarHBondContact O-N 3Å
294	I	87.3	Confident	91.1	Very high	51 Å²	51	52.8 Å²	52.8	26%	0.262	30%	0.296	S	S	.	.			trans	-86.6	113.9	-172.1	-65.2	173.1	0	0	0	110.6	F235 E290 L291 E292 L309	F235-I294 HydrophobicContact CE1-CG2 3.88Å; F235-I294 HydrophobicContact CZ-CG2 4.15Å; E290-I294 WeakPolarHBondContact O-CG1 3.29Å; L291-I294 HydrophobicContact CD2-CD1 4.48Å; L291-I294 PolarHBondContact O-N 3.3Å; E292-I294 VanDerWaalsContact C-N 3.32Å; E292-I294 PolarHBondContact O-N 3.42Å; I294-L309 HydrophobicContact CD1-CD2 3.67Å; I294-L309 HydrophobicContact CD1-CG 4.24Å
295	S	72.1	Confident	90.9	Very high	128 Å²	128	55.6 Å²	55.6	90%	0.895	32%	0.319	S	S	*	.			trans	-87.6	107.1	166.3	-64.1	0	0	0	0	109.4	K293	K293-S295 PolarHBondContact O-N 3Å
296	G	72.1	Confident	90.7	Very high	47 Å²	47	55.6 Å²	55.6	49%	0.485	32%	0.319	S	S	.	.			trans	-172.7	159.6	-177.9	0	0	0	0	0	112.9	F235	F235-G296 VanDerWaalsContact CD2-O 3.3Å; F235-G296 WeakPolarHBondContact CD2-O 3.48Å
297	S	79.3	Confident	90.6	Very high	22 Å²	22	54.2 Å²	54.2	15%	0.154	31%	0.312	C	S	.	.	S	Bend	trans	-109.1	-27.9	-173.6	46.2	0	0	0	0	113.3	E230 C231 S234	E230-S297 VanDerWaalsContact OE2-CB 3.26Å; E230-S297 WeakPolarHBondContact OE2-CB 3.44Å; E230-S297 PolarHBondContact OE2-OG 2.78Å; C231-S297 VanDerWaalsContact O-O 3.08Å; S234-S297 WeakPolarHBondContact CB-O 3.39Å
298	F	92.4	Very high	90.5	Very high	24 Å²	24	55 Å²	55	11%	0.105	32%	0.317	C	S	.	.	S	Bend	trans	-147.7	162.2	172.1	73.7	-81.4	0	0	0	111.5	E230 P300 H317 K891	E230-F298 HydrophobicContact CB-CD1 4.38Å; E230-F298 HydrophobicContact CG-CD1 3.68Å; E230-F298 HydrophobicContact CG-CE1 4.15Å; E230-F298 WeakPolarHBondContact OE1-CE1 3.31Å; F298-P300 HydrophobicContact CE2-CB 4.31Å; F298-P300 HydrophobicContact CE2-CG 4.04Å; F298-P300 HydrophobicContact CZ-CG 4.46Å; F298-P300 WeakPolarHBondContact O-CD 3.48Å; F298-H317 AromaticContact CD2-CE1 3.67Å; F298-H317 AromaticContact CE2-CE1 3.96Å; F298-H317 AromaticContact CG-CE1 3.73Å; F298-K891 HydrophobicContact CZ-CB 4.13Å
299	K	94.6	Very high	90.4	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.009	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-88.9	118.1	171.9	170.9	-177.4	-177.5	-177.6	0	111.7	C303 K304 L309 I312 I314 N315	K299-C303 WeakPolarHBondContact CE-O 3.48Å; K299-C303 HydrophobicContact CG-CB 4.35Å; K299-K304 PolarHBondContact NZ-O 2.73Å; K299-L309 HydrophobicContact CD-CB 4Å; K299-L309 WeakPolarHBondContact CE-O 3.46Å; K299-L309 HydrophobicContact CG-CB 4.42Å; K299-L309 HydrophobicContact CG-CD1 4.31Å; K299-L309 PolarHBondContact NZ-O 3.19Å; K299-I312 HydrophobicContact CB-CB 4.25Å; K299-I312 HydrophobicContact CB-CG2 3.54Å; K299-I312 HydrophobicContact CD-CB 4.03Å; K299-I312 HydrophobicContact CD-CG2 4.22Å; K299-I312 WeakPolarHBondContact CD-O 3.31Å; K299-I312 PolarHBondContact NZ-O 3.5Å; K299-I314 HydrophobicContact CD-CG1 3.73Å; K299-I314 HydrophobicContact CG-CG1 4.28Å; K299-N315 PolarHBondContact O-N 3.36Å
300	P	92.3	Very high	90.4	Very high	33 Å²	33	53.1 Å²	53.1	21%	0.214	30%	0.301	C	S	.	.			trans	-65.5	151.1	175.9	-23.9	36.2	0	0	0	113.8	F298 C302 C303	F298-P300 HydrophobicContact CE2-CB 4.31Å; F298-P300 HydrophobicContact CE2-CG 4.04Å; F298-P300 HydrophobicContact CZ-CG 4.46Å; F298-P300 WeakPolarHBondContact O-CD 3.48Å; P300-C302 PolarHBondContact O-N 2.84Å; P300-C303 WeakPolarHBondContact O-CB 3.41Å; P300-C303 PolarHBondContact O-N 2.77Å
301	S	91.7	Very high	90.5	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.049	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-65.6	-18.6	180	56.8	0	0	0	0	115.4	K304 S844 N892	S301-K304 WeakPolarHBondContact O-CG 3.3Å; S301-K304 PolarHBondContact O-NZ 3.41Å; S301-S844 WeakPolarHBondContact CB-OG 3.39Å; S301-N892 VanDerWaalsContact CB-OD1 3.23Å; S301-N892 WeakPolarHBondContact CB-OD1 3.21Å; S301-N892 PolarHBondContact N-OD1 2.91Å; S301-N892 PolarHBondContact OG-OD1 3.25Å
302	C	89.7	Confident	90.7	Very high	85 Å²	85	49.5 Å²	49.5	57%	0.574	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-72	-36.7	168.8	52.9	0	0	0	0	111.6	P300 K304	P300-C302 PolarHBondContact O-N 2.84Å; C302-K304 PolarHBondContact O-N 3.23Å
303	C	92.3	Very high	91	Very high	32 Å²	32	43.4 Å²	43.4	22%	0.216	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-78.8	10.6	178	-60.4	0	0	0	0	114.2	K299 P300 A305 Q306 L309	K299-C303 WeakPolarHBondContact CE-O 3.48Å; K299-C303 HydrophobicContact CG-CB 4.35Å; P300-C303 WeakPolarHBondContact O-CB 3.41Å; P300-C303 PolarHBondContact O-N 2.77Å; C303-A305 VanDerWaalsContact C-N 3.26Å; C303-A305 PolarHBondContact O-N 2.94Å; C303-Q306 WeakPolarHBondContact O-CB 3.25Å; C303-Q306 PolarHBondContact O-N 3.3Å; C303-Q306 VanDerWaalsContact O-N 3.13Å; C303-L309 HydrophobicContact CB-CD1 3.91Å
304	K	93.8	Very high	91.3	Very high	71 Å²	71	36.6 Å²	36.6	31%	0.309	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-53.6	-39.7	-174.6	60.4	176.4	170.5	-90.7	0	114.1	K299 S301 C302 I314 H344	K299-K304 PolarHBondContact NZ-O 2.73Å; S301-K304 WeakPolarHBondContact O-CG 3.3Å; S301-K304 PolarHBondContact O-NZ 3.41Å; C302-K304 PolarHBondContact O-N 3.23Å; K304-I314 HydrophobicContact CB-CD1 3.5Å; K304-I314 HydrophobicContact CB-CG1 4.26Å; K304-H344 WeakPolarHBondContact O-CB 3.11Å
305	A	93.1	Very high	91.7	Very high	58 Å²	58	34.1 Å²	34.1	48%	0.479	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-97.5	17.6	-176.5	0	0	0	0	0	113.9	C303 F345	C303-A305 VanDerWaalsContact C-N 3.26Å; C303-A305 PolarHBondContact O-N 2.94Å; A305-F345 WeakPolarHBondContact O-CD2 3.29Å
306	Q	94.4	Very high	93	Very high	73 Å²	73	28 Å²	28	34%	0.341	17%	0.171	S	C	.	.			trans	-84.8	121.7	178.1	-179.5	177.7	-23.9	0	0	111	C303 S308 L309 E310	C303-Q306 WeakPolarHBondContact O-CB 3.25Å; C303-Q306 PolarHBondContact O-N 3.3Å; C303-Q306 VanDerWaalsContact O-N 3.13Å; Q306-S308 PolarHBondContact NE2-OG 3.4Å; Q306-S308 PolarHBondContact O-N 3.49Å; Q306-L309 HydrophobicContact CB-CB 4.41Å; Q306-L309 HydrophobicContact CG-CB 4.5Å; Q306-L309 HydrophobicContact CG-CD1 4.47Å; Q306-L309 HydrophobicContact CG-CG 4.45Å; Q306-L309 CarbonylContact O-C 3.23Å; Q306-L309 PolarHBondContact O-N 2.96Å; Q306-L309 VanDerWaalsContact O-N 3.1Å; Q306-E310 PolarHBondContact O-N 3.35Å
307	K	94.1	Very high	94.1	Very high	89 Å²	89	25.8 Å²	25.8	39%	0.387	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-51.8	-52	-178.7	-172.7	-170.6	176.9	-158.5	0	112.7	E286 L309 E310 F345	E286-K307 IonicContact OE2-NZ 3.61Å; E286-K307 PolarHBondContact OE2-NZ 2.84Å; K307-L309 PolarHBondContact O-N 3.13Å; K307-E310 VanDerWaalsContact O-CB 3.23Å; K307-E310 WeakPolarHBondContact O-CB 3.28Å; K307-E310 PolarHBondContact O-N 3.31Å; K307-F345 HydrophobicContact CB-CD1 4.05Å; K307-F345 HydrophobicContact CB-CD2 4.01Å; K307-F345 HydrophobicContact CB-CE1 3.87Å; K307-F345 HydrophobicContact CB-CE2 3.82Å; K307-F345 HydrophobicContact CB-CG 4.13Å; K307-F345 HydrophobicContact CB-CZ 3.75Å; K307-F345 HydrophobicContact CD-CE1 4Å; K307-F345 HydrophobicContact CD-CZ 4.05Å; K307-F345 HydrophobicContact CG-CD1 3.96Å; K307-F345 HydrophobicContact CG-CE1 3.61Å; K307-F345 HydrophobicContact CG-CE2 4.45Å; K307-F345 HydrophobicContact CG-CZ 3.88Å
308	S	93.6	Very high	94.9	Very high	23 Å²	23	24.9 Å²	24.9	16%	0.161	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-65.7	-11.9	-177	52.3	0	0	0	0	114.6	L291 Q306	L291-S308 WeakPolarHBondContact CD2-O 3.34Å; Q306-S308 PolarHBondContact NE2-OG 3.4Å; Q306-S308 PolarHBondContact O-N 3.49Å
309	L	95.8	Very high	95.1	Very high	9 Å²	9	23.8 Å²	23.8	5%	0.047	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-110.3	12.5	174.6	-68.5	176.2	0	0	0	112.3	F235 L291 I294 K299 C303 Q306 K307 F311 I312	F235-L309 HydrophobicContact CE1-CD2 3.76Å; F235-L309 HydrophobicContact CZ-CD2 4.15Å; L291-L309 HydrophobicContact CD2-CD2 3.86Å; I294-L309 HydrophobicContact CD1-CD2 3.67Å; I294-L309 HydrophobicContact CD1-CG 4.24Å; K299-L309 HydrophobicContact CD-CB 4Å; K299-L309 WeakPolarHBondContact CE-O 3.46Å; K299-L309 HydrophobicContact CG-CB 4.42Å; K299-L309 HydrophobicContact CG-CD1 4.31Å; K299-L309 PolarHBondContact NZ-O 3.19Å; C303-L309 HydrophobicContact CB-CD1 3.91Å; Q306-L309 HydrophobicContact CB-CB 4.41Å; Q306-L309 HydrophobicContact CG-CB 4.5Å; Q306-L309 HydrophobicContact CG-CD1 4.47Å; Q306-L309 HydrophobicContact CG-CG 4.45Å; Q306-L309 CarbonylContact O-C 3.23Å; Q306-L309 PolarHBondContact O-N 2.96Å; Q306-L309 VanDerWaalsContact O-N 3.1Å; K307-L309 PolarHBondContact O-N 3.13Å; L309-F311 VanDerWaalsContact C-N 3.33Å; L309-F311 PolarHBondContact O-N 3.16Å; L309-I312 HydrophobicContact CB-CG1 4.48Å; L309-I312 HydrophobicContact CD2-CG1 3.89Å; L309-I312 WeakPolarHBondContact O-CB 3.34Å; L309-I312 PolarHBondContact O-N 3.21Å; L309-I312 VanDerWaalsContact O-N 3.11Å
310	E	96.3	Very high	95.1	Very high	11 Å²	11	24.7 Å²	24.7	5%	0.051	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-38.7	-171.2	-174.4	167.6	-149.8	0	0	112.8	Q306 K307 I312 F345 Q346 V623 Q627	Q306-E310 PolarHBondContact O-N 3.35Å; K307-E310 VanDerWaalsContact O-CB 3.23Å; K307-E310 WeakPolarHBondContact O-CB 3.28Å; K307-E310 PolarHBondContact O-N 3.31Å; E310-I312 VanDerWaalsContact C-N 3.29Å; E310-I312 PolarHBondContact O-N 2.88Å; E310-F345 HydrophobicContact CG-CB 4.38Å; E310-Q346 WeakPolarHBondContact OE1-CG 3.41Å; E310-Q346 PolarHBondContact OE1-NE2 2.99Å; E310-Q346 VanDerWaalsContact OE1-NE2 3.1Å; E310-V623 HydrophobicContact CG-CB 4.38Å; E310-V623 HydrophobicContact CG-CG1 3.61Å; E310-V623 HydrophobicContact CG-CG2 3.78Å; E310-Q627 PolarHBondContact O-NE2 3.47Å
311	F	98	Very high	95.1	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.009	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.2	178	-73.4	-101.3	0	0	0	114.8	P238 L242 Y245 Y284 T287 L309 D622 V623 S626	P238-F311 HydrophobicContact CB-CB 4.1Å; L242-F311 HydrophobicContact CD1-CD2 4.48Å; L242-F311 HydrophobicContact CD1-CG 4.34Å; L242-F311 HydrophobicContact CD2-CD1 4.07Å; L242-F311 HydrophobicContact CD2-CD2 4.21Å; L242-F311 HydrophobicContact CD2-CE1 3.8Å; L242-F311 HydrophobicContact CD2-CE2 3.95Å; L242-F311 HydrophobicContact CD2-CG 4.28Å; L242-F311 HydrophobicContact CD2-CZ 3.75Å; L242-F311 HydrophobicContact CG-CD1 4.24Å; L242-F311 HydrophobicContact CG-CE1 4.42Å; L242-F311 HydrophobicContact CG-CG 4.39Å; Y245-F311 HydrophobicContact CD2-CE1 4.44Å; Y245-F311 HydrophobicContact CE2-CE1 4.15Å; Y284-F311 HydrophobicContact CD1-CE2 4.49Å; Y284-F311 HydrophobicContact CD1-CZ 4.02Å; Y284-F311 HydrophobicContact CE1-CE2 4.4Å; Y284-F311 AromaticContact CE1-CZ 3.64Å; Y284-F311 HydrophobicContact CE1-CZ 3.64Å; T287-F311 HydrophobicContact CG2-CD2 3.85Å; T287-F311 HydrophobicContact CG2-CE2 4.23Å; L309-F311 VanDerWaalsContact C-N 3.33Å; L309-F311 PolarHBondContact O-N 3.16Å; F311-D622 HydrophobicContact CE1-CB 4.11Å; F311-V623 HydrophobicContact CD1-CG2 4.16Å; F311-V623 HydrophobicContact CD2-CG2 3.86Å; F311-V623 HydrophobicContact CE1-CG2 3.85Å; F311-V623 HydrophobicContact CE2-CG2 3.53Å; F311-V623 HydrophobicContact CG-CG2 4.15Å; F311-V623 HydrophobicContact CZ-CG2 3.52Å; F311-S626 PolarHBondContact O-OG 3.05Å
312	I	98.2	Very high	95	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-86.8	128.1	-174.2	-52.4	-52.3	0	0	0	109.8	S234 F235 P238 L291 K299 L309 E310 I314	S234-I312 WeakPolarHBondContact O-CG2 3.45Å; S234-I312 WeakPolarHBondContact OG-CG2 3.31Å; F235-I312 HydrophobicContact CD1-CD1 3.8Å; F235-I312 HydrophobicContact CD1-CG1 4.11Å; F235-I312 HydrophobicContact CD1-CG2 4.43Å; F235-I312 HydrophobicContact CE1-CD1 4.17Å; F235-I312 HydrophobicContact CE1-CG1 3.95Å; F235-I312 HydrophobicContact CE1-CG2 4.12Å; F235-I312 HydrophobicContact CE2-CG2 4.19Å; F235-I312 HydrophobicContact CG-CD1 4.4Å; F235-I312 HydrophobicContact CZ-CG2 4Å; P238-I312 HydrophobicContact CB-CD1 3.55Å; P238-I312 HydrophobicContact CG-CD1 3.68Å; L291-I312 HydrophobicContact CD1-CD1 3.88Å; L291-I312 HydrophobicContact CD1-CG1 4.49Å; L291-I312 HydrophobicContact CD2-CD1 3.66Å; L291-I312 HydrophobicContact CD2-CG1 3.6Å; L291-I312 HydrophobicContact CG-CD1 4.43Å; K299-I312 HydrophobicContact CB-CB 4.25Å; K299-I312 HydrophobicContact CB-CG2 3.54Å; K299-I312 HydrophobicContact CD-CB 4.03Å; K299-I312 HydrophobicContact CD-CG2 4.22Å; K299-I312 WeakPolarHBondContact CD-O 3.31Å; K299-I312 PolarHBondContact NZ-O 3.5Å; L309-I312 HydrophobicContact CB-CG1 4.48Å; L309-I312 HydrophobicContact CD2-CG1 3.89Å; L309-I312 WeakPolarHBondContact O-CB 3.34Å; L309-I312 PolarHBondContact O-N 3.21Å; L309-I312 VanDerWaalsContact O-N 3.11Å; E310-I312 VanDerWaalsContact C-N 3.29Å; E310-I312 PolarHBondContact O-N 2.88Å; I312-I314 PolarHBondContact O-N 3.01Å
313	P	98.2	Very high	94.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-63.7	135.5	177.3	27.7	-35.7	0	0	0	110.9	S234 N315 L316 V338 Q627 A630	S234-P313 WeakPolarHBondContact O-CD 3.07Å; P313-N315 PolarHBondContact O-N 3.28Å; P313-L316 HydrophobicContact CB-CB 4.33Å; P313-L316 HydrophobicContact CG-CB 4.11Å; P313-L316 HydrophobicContact CG-CD2 3.87Å; P313-V338 HydrophobicContact CB-CG2 3.77Å; P313-Q627 HydrophobicContact CB-CB 4.16Å; P313-A630 HydrophobicContact CG-CB 3.8Å
314	I	97.8	Very high	94.5	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-74	126.7	-178.6	-65.1	160.2	0	0	0	109.6	K299 K304 I312 L316 G339 H344	K299-I314 HydrophobicContact CD-CG1 3.73Å; K299-I314 HydrophobicContact CG-CG1 4.28Å; K304-I314 HydrophobicContact CB-CD1 3.5Å; K304-I314 HydrophobicContact CB-CG1 4.26Å; I312-I314 PolarHBondContact O-N 3.01Å; I314-L316 VanDerWaalsContact C-N 3.28Å; I314-L316 PolarHBondContact O-N 3Å; I314-G339 PolarHBondContact O-N 3.38Å; I314-H344 WeakPolarHBondContact CD1-CD2 3.47Å
315	N	96.8	Very high	93.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	35.1	166.4	-160.4	31	0	0	0	114.3	K299 P313 H317 S844 A845 N888 N892	K299-N315 PolarHBondContact O-N 3.36Å; P313-N315 PolarHBondContact O-N 3.28Å; N315-H317 PolarHBondContact O-N 3.21Å; N315-H317 PolarHBondContact O-ND1 3.38Å; N315-H317 PolarHBondContact OD1-CE1 3.32Å; N315-H317 PolarHBondContact OD1-ND1 3.42Å; N315-S844 WeakPolarHBondContact CB-O 3.33Å; N315-S844 PolarHBondContact ND2-O 3.06Å; N315-A845 HydrophobicContact CB-CB 3.8Å; N315-A845 PolarHBondContact ND2-O 3.46Å; N315-N888 PolarHBondContact ND2-OD1 3.23Å; N315-N888 PolarHBondContact OD1-ND2 3.26Å; N315-N888 PolarHBondContact OD1-OD1 2.95Å; N315-N892 PolarHBondContact OD1-ND2 3.08Å
316	L	97.9	Very high	92.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.			trans	-65.7	115.9	178.2	179.4	61.8	0	0	0	111.8	C231 P313 I314 I336 T337 V338 A631 C634	C231-L316 HydrophobicContact CB-CD2 4.24Å; C231-L316 HydrophobicContact CB-CG 4.22Å; P313-L316 HydrophobicContact CB-CB 4.33Å; P313-L316 HydrophobicContact CG-CB 4.11Å; P313-L316 HydrophobicContact CG-CD2 3.87Å; I314-L316 VanDerWaalsContact C-N 3.28Å; I314-L316 PolarHBondContact O-N 3Å; L316-I336 HydrophobicContact CD1-CG2 3.7Å; L316-T337 WeakPolarHBondContact CA-O 3.33Å; L316-V338 HydrophobicContact CB-CG2 4.15Å; L316-V338 HydrophobicContact CD1-CB 3.91Å; L316-V338 HydrophobicContact CD1-CG2 3.95Å; L316-A631 HydrophobicContact CD1-CB 4.11Å; L316-C634 HydrophobicContact CD1-CB 4.33Å; L316-C634 HydrophobicContact CD2-CB 4.12Å
317	H	96.9	Very high	91.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	150	177.3	-64.7	71.9	0	0	0	111.2	M228 E229 F298 N315 T337 N888	M228-H317 HydrophobicContact CG-CB 3.97Å; M228-H317 HydrophobicContact SD-CB 4.42Å; E229-H317 CarbonylContact O-C 3.59Å; E229-H317 WeakPolarHBondContact O-CA 3.36Å; E229-H317 VanDerWaalsContact O-CB 3.31Å; E229-H317 WeakPolarHBondContact O-CB 3.23Å; F298-H317 AromaticContact CD2-CE1 3.67Å; F298-H317 AromaticContact CE2-CE1 3.96Å; F298-H317 AromaticContact CG-CE1 3.73Å; N315-H317 PolarHBondContact O-N 3.21Å; N315-H317 PolarHBondContact O-ND1 3.38Å; N315-H317 PolarHBondContact OD1-CE1 3.32Å; N315-H317 PolarHBondContact OD1-ND1 3.42Å; H317-T337 PolarHBondContact N-O 3.11Å; H317-T337 PolarHBondContact O-N 3.46Å; H317-T337 PolarHBondContact O-OG1 3.27Å; H317-N888 PolarHBondContact CE1-ND2 3.17Å; H317-N888 PolarHBondContact ND1-ND2 3.13Å; H317-N888 PolarHBondContact NE2-ND2 3.05Å
318	T	96.1	Very high	90	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	154	160.1	61.4	0	0	0	0	109.9	F204 M228 E229 I336 M638	F204-T318 HydrophobicContact CD1-CG2 3.54Å; F204-T318 HydrophobicContact CE1-CG2 3.27Å; F204-T318 HydrophobicContact CG-CG2 4.46Å; F204-T318 HydrophobicContact CZ-CG2 4.01Å; M228-T318 VanDerWaalsContact CA-O 3.31Å; M228-T318 WeakPolarHBondContact CA-O 3.45Å; M228-T318 VanDerWaalsContact CG-O 3.27Å; M228-T318 WeakPolarHBondContact CG-O 3.33Å; E229-T318 WeakPolarHBondContact CB-OG1 3.48Å; E229-T318 PolarHBondContact N-O 3.42Å; E229-T318 PolarHBondContact N-OG1 3.35Å; E229-T318 PolarHBondContact O-N 3.43Å; T318-I336 HydrophobicContact CG2-CD1 3.89Å; T318-M638 HydrophobicContact CG2-CG 4.45Å; T318-M638 HydrophobicContact CG2-SD 4.25Å
319	Q	95.3	Very high	88.9	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	106.9	167.8	-171.9	87.6	23	0	0	107.6	E226 Q227 D334 I335 V853	E226-Q319 PolarHBondContact OE1-NE2 3.39Å; Q227-Q319 CarbonylContact O-C 3.58Å; Q227-Q319 WeakPolarHBondContact O-CA 3.4Å; Q319-D334 CarbonylContact O-C 3.57Å; Q319-D334 WeakPolarHBondContact O-CA 3.26Å; Q319-I335 HydrophobicContact CB-CB 4.39Å; Q319-I335 WeakPolarHBondContact CB-O 3.36Å; Q319-I335 PolarHBondContact N-O 3.18Å; Q319-I335 PolarHBondContact O-N 3.5Å; Q319-V853 HydrophobicContact CG-CG1 3.84Å
320	R	93.9	Very high	88	Confident	22 Å²	22	29.6 Å²	29.6	8%	0.083	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.4	177.7	173.7	164.5	-79.3	-165.4	-7.8	109.5	D196 E226 Q227 L332 D334 M638	D196-R320 IonicContact OD2-NH1 3.83Å; D196-R320 PolarHBondContact OD2-NH1 2.85Å; E226-R320 CarbonylContact C-O 3.54Å; E226-R320 WeakPolarHBondContact CA-O 3.41Å; Q227-R320 HydrophobicContact CB-CB 4.42Å; Q227-R320 PolarHBondContact N-O 2.92Å; Q227-R320 PolarHBondContact O-N 3.02Å; R320-L332 HydrophobicContact CG-CD2 4.38Å; R320-D334 WeakPolarHBondContact CA-OD1 3.47Å; R320-D334 WeakPolarHBondContact CB-OD1 3.45Å; R320-D334 VanDerWaalsContact CG-OD1 3.27Å; R320-D334 WeakPolarHBondContact CG-OD1 3.3Å; R320-D334 IonicContact CZ-OD1 2.7Å; R320-D334 IonicContact CZ-OD2 3.15Å; R320-D334 IonicContact NE-OD1 2.73Å; R320-D334 PolarHBondContact NE-OD1 2.81Å; R320-D334 IonicContact NE-OD2 2.81Å; R320-D334 IonicContact NH2-OD1 2.73Å; R320-D334 IonicContact NH2-OD2 2.68Å; R320-D334 PolarHBondContact NH2-OD2 3.28Å; R320-M638 VanDerWaalsContact NH2-CE 3.34Å
321	M	94.3	Very high	87.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.6	168.1	-176.5	177.2	71.9	0	0	109.2	V224 R225 V323 Y333 Q857 L860 L861 M879	V224-M321 HydrophobicContact CG1-CG 3.64Å; V224-M321 HydrophobicContact CG1-SD 3.76Å; R225-M321 CarbonylContact O-C 3.54Å; R225-M321 WeakPolarHBondContact O-CA 3.33Å; M321-V323 HydrophobicContact CE-CG2 3.89Å; M321-V323 HydrophobicContact CG-CG2 4Å; M321-V323 HydrophobicContact SD-CG2 4.27Å; M321-Y333 HydrophobicContact CE-CD2 3.5Å; M321-Y333 HydrophobicContact CE-CE2 4.1Å; M321-Y333 HydrophobicContact CE-CG 4.2Å; M321-Y333 PolarHBondContact N-O 3.43Å; M321-Y333 PolarHBondContact O-N 3.46Å; M321-Q857 HydrophobicContact CB-CG 4.42Å; M321-Q857 HydrophobicContact CE-CB 4.12Å; M321-Q857 HydrophobicContact CE-CG 4.32Å; M321-Q857 HydrophobicContact SD-CB 3.67Å; M321-Q857 HydrophobicContact SD-CG 3.88Å; M321-L860 HydrophobicContact CE-CB 4.1Å; M321-L860 HydrophobicContact CE-CD1 4.48Å; M321-L861 HydrophobicContact CE-CD2 3.97Å; M321-L861 HydrophobicContact CE-CG 4.07Å; M321-L861 HydrophobicContact SD-CD1 4.3Å; M321-L861 HydrophobicContact SD-CD2 4.04Å; M321-L861 HydrophobicContact SD-CG 4.08Å; M321-M879 HydrophobicContact SD-CE 4.34Å
322	R	89.1	Confident	87.1	Confident	40 Å²	40	33.9 Å²	33.9	15%	0.151	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.9	168.1	-175.3	172.8	178.8	171.4	-4.1	109.4	D193 V224 R225 D330 A331 L332	D193-R322 IonicContact OD1-CZ 2.65Å; D193-R322 IonicContact OD1-NH1 2.79Å; D193-R322 PolarHBondContact OD1-NH1 2.91Å; D193-R322 IonicContact OD1-NH2 2.7Å; D193-R322 IonicContact OD2-NH1 3.84Å; V224-R322 CarbonylContact C-O 3.11Å; V224-R322 WeakPolarHBondContact CA-O 3.32Å; R225-R322 HydrophobicContact CB-CB 4.35Å; R225-R322 PolarHBondContact N-O 2.89Å; R225-R322 PolarHBondContact O-N 2.97Å; R322-D330 IonicContact CZ-OD2 3.61Å; R322-D330 IonicContact NE-OD2 3.27Å; R322-D330 PolarHBondContact NE-OD2 3.27Å; R322-D330 IonicContact NH2-OD2 3.49Å; R322-D330 PolarHBondContact NH2-OD2 2.97Å; R322-A331 CarbonylContact C-O 3.51Å; R322-A331 VanDerWaalsContact CA-O 3.31Å; R322-A331 WeakPolarHBondContact CA-O 3.32Å; R322-L332 HydrophobicContact CB-CD2 3.63Å; R322-L332 HydrophobicContact CG-CD2 3.71Å
323	V	88	Confident	86.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122.3	178.5	-169.6	0	0	0	0	109.4	L223 V224 M321 D330 A331 Y333 L861 H865	L223-V323 WeakPolarHBondContact O-CA 3.48Å; V224-V323 HydrophobicContact CG2-CG1 4.21Å; V224-V323 HydrophobicContact CG2-CG2 4.46Å; M321-V323 HydrophobicContact CE-CG2 3.89Å; M321-V323 HydrophobicContact CG-CG2 4Å; M321-V323 HydrophobicContact SD-CG2 4.27Å; V323-D330 WeakPolarHBondContact O-CA 3.38Å; V323-A331 PolarHBondContact N-O 3.49Å; V323-A331 PolarHBondContact O-N 2.88Å; V323-Y333 HydrophobicContact CG2-CD2 4.21Å; V323-Y333 HydrophobicContact CG2-CE2 4.01Å; V323-L861 HydrophobicContact CB-CD2 4.4Å; V323-L861 HydrophobicContact CG1-CD2 3.92Å; V323-L861 HydrophobicContact CG2-CD2 3.54Å; V323-H865 HydrophobicContact CG1-CB 4.14Å; V323-H865 WeakPolarHBondContact CG1-ND1 3.37Å
324	T	83	Confident	86.8	Confident	46 Å²	46	36.4 Å²	36.4	28%	0.282	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.8	177.7	-59.6	0	0	0	0	108.3	L223 D330	L223-T324 PolarHBondContact N-O 3.04Å; L223-T324 PolarHBondContact O-N 2.95Å; T324-D330 VanDerWaalsContact CA-OD1 3.3Å; T324-D330 WeakPolarHBondContact CA-OD1 3.49Å; T324-D330 WeakPolarHBondContact CB-OD1 3.18Å; T324-D330 VanDerWaalsContact CG2-OD1 3.23Å; T324-D330 WeakPolarHBondContact CG2-OD1 3.39Å; T324-D330 VanDerWaalsContact OG1-CG 3.24Å; T324-D330 PolarHBondContact OG1-OD1 3.31Å; T324-D330 PolarHBondContact OG1-OD2 2.81Å
325	C	79.4	Confident	86.8	Confident	11 Å²	11	36.5 Å²	36.5	7%	0.074	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.2	177.4	-71.1	0	0	0	0	109.9	Q327 K328	C325-Q327 PolarHBondContact O-N 3.35Å; C325-K328 HydrophobicContact CB-CB 4.25Å; C325-K328 PolarHBondContact O-N 3.27Å
326	P	67	Low	86.9	Confident	80 Å²	80	36.7 Å²	36.7	52%	0.519	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-5.9	-171.9	-26.5	35.5	0	0	0	117.3	K220 W221	K220-P326 HydrophobicContact CB-CG 4.48Å; K220-P326 HydrophobicContact CD-CB 4.47Å; W221-P326 VanDerWaalsContact O-CD 3.27Å; W221-P326 WeakPolarHBondContact O-CD 3.29Å; W221-P326 WeakPolarHBondContact O-CG 3.37Å
327	Q	64.6	Low	86.9	Confident	146 Å²	146	36.7 Å²	36.7	68%	0.682	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-140	16.4	-173.8	-63.5	-175.5	-41	0	0	112.6	K220 C325	K220-Q327 VanDerWaalsContact NZ-CD 3.31Å; C325-Q327 PolarHBondContact O-N 3.35Å
328	K	69.3	Low	87	Confident	72 Å²	72	36.7 Å²	36.7	31%	0.313	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	151.3	-178.2	-62.4	177.4	-177.3	164.5	0	109.6	C325	C325-K328 HydrophobicContact CB-CB 4.25Å; C325-K328 PolarHBondContact O-N 3.27Å
329	T	70.2	Confident	87.1	Confident	127 Å²	127	36.7 Å²	36.7	78%	0.779	20%	0.196	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-56.9	146.6	168.9	50.2	0	0	0	0	110.8	A331	T329-A331 PolarHBondContact O-N 3.17Å
330	D	77.7	Confident	87.3	Confident	61 Å²	61	36.7 Å²	36.7	33%	0.326	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	136.6	171.6	-84.5	2.7	0	0	0	111.2	R322 V323 T324	R322-D330 IonicContact CZ-OD2 3.61Å; R322-D330 IonicContact NE-OD2 3.27Å; R322-D330 PolarHBondContact NE-OD2 3.27Å; R322-D330 IonicContact NH2-OD2 3.49Å; R322-D330 PolarHBondContact NH2-OD2 2.97Å; V323-D330 WeakPolarHBondContact O-CA 3.38Å; T324-D330 VanDerWaalsContact CA-OD1 3.3Å; T324-D330 WeakPolarHBondContact CA-OD1 3.49Å; T324-D330 WeakPolarHBondContact CB-OD1 3.18Å; T324-D330 VanDerWaalsContact CG2-OD1 3.23Å; T324-D330 WeakPolarHBondContact CG2-OD1 3.39Å; T324-D330 VanDerWaalsContact OG1-CG 3.24Å; T324-D330 PolarHBondContact OG1-OD1 3.31Å; T324-D330 PolarHBondContact OG1-OD2 2.81Å
331	A	86.2	Confident	87.5	Confident	17 Å²	17	35.7 Å²	35.7	14%	0.14	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.7	174.3	0	0	0	0	0	111	R322 V323 T329 Y333 H865	R322-A331 CarbonylContact C-O 3.51Å; R322-A331 VanDerWaalsContact CA-O 3.31Å; R322-A331 WeakPolarHBondContact CA-O 3.32Å; V323-A331 PolarHBondContact N-O 3.49Å; V323-A331 PolarHBondContact O-N 2.88Å; T329-A331 PolarHBondContact O-N 3.17Å; A331-Y333 HydrophobicContact CB-CE2 3.7Å; A331-H865 WeakPolarHBondContact CB-CE1 3.31Å; A331-H865 WeakPolarHBondContact CB-NE2 3.25Å
332	L	89.6	Confident	87.7	Confident	86 Å²	86	35.7 Å²	35.7	45%	0.45	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.2	176.1	-67.1	174.3	0	0	0	110.3	R320 R322	R320-L332 HydrophobicContact CG-CD2 4.38Å; R322-L332 HydrophobicContact CB-CD2 3.63Å; R322-L332 HydrophobicContact CG-CD2 3.71Å
333	Y	94.5	Very high	88.1	Confident	21 Å²	21	33.8 Å²	33.8	8%	0.082	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	110.1	176.9	-55.3	-76.6	0	0	0	110.7	M321 V323 A331 F796 L860 H865	M321-Y333 HydrophobicContact CE-CD2 3.5Å; M321-Y333 HydrophobicContact CE-CE2 4.1Å; M321-Y333 HydrophobicContact CE-CG 4.2Å; M321-Y333 PolarHBondContact N-O 3.43Å; M321-Y333 PolarHBondContact O-N 3.46Å; V323-Y333 HydrophobicContact CG2-CD2 4.21Å; V323-Y333 HydrophobicContact CG2-CE2 4.01Å; A331-Y333 HydrophobicContact CB-CE2 3.7Å; Y333-F796 HydrophobicContact CE1-CE1 4.19Å; Y333-L860 HydrophobicContact CD1-CD1 3.78Å; Y333-L860 HydrophobicContact CD1-CD2 4.1Å; Y333-L860 HydrophobicContact CD1-CG 4.43Å; Y333-L860 HydrophobicContact CE1-CD1 4.36Å; Y333-L860 HydrophobicContact CE1-CD2 3.93Å; Y333-L860 HydrophobicContact CG-CD1 3.85Å; Y333-H865 AromaticContact CE1-NE2 3.96Å; Y333-H865 AromaticContact CE2-NE2 2.64Å; Y333-H865 WeakPolarHBondContact CE2-NE2 3.27Å; Y333-H865 AromaticContact CZ-NE2 2.59Å; Y333-H865 PolarHBondContact OH-NE2 2.81Å
334	D	95.5	Very high	88.5	Confident	31 Å²	31	34.7 Å²	34.7	17%	0.166	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	142.4	177.3	-64.2	-33.6	0	0	0	111.5	Q319 R320 R832	Q319-D334 CarbonylContact O-C 3.57Å; Q319-D334 WeakPolarHBondContact O-CA 3.26Å; R320-D334 WeakPolarHBondContact CA-OD1 3.47Å; R320-D334 WeakPolarHBondContact CB-OD1 3.45Å; R320-D334 VanDerWaalsContact CG-OD1 3.27Å; R320-D334 WeakPolarHBondContact CG-OD1 3.3Å; R320-D334 IonicContact CZ-OD1 2.7Å; R320-D334 IonicContact CZ-OD2 3.15Å; R320-D334 IonicContact NE-OD1 2.73Å; R320-D334 PolarHBondContact NE-OD1 2.81Å; R320-D334 IonicContact NE-OD2 2.81Å; R320-D334 IonicContact NH2-OD1 2.73Å; R320-D334 IonicContact NH2-OD2 2.68Å; R320-D334 PolarHBondContact NH2-OD2 3.28Å; D334-R832 PolarHBondContact O-NH1 3.17Å; D334-R832 PolarHBondContact O-NH2 2.96Å
335	I	98.1	Very high	89.1	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	131	168.1	-59.7	168.4	0	0	0	107.5	Q319 T337 R838 T840 V853 E856 Q857	Q319-I335 HydrophobicContact CB-CB 4.39Å; Q319-I335 WeakPolarHBondContact CB-O 3.36Å; Q319-I335 PolarHBondContact N-O 3.18Å; Q319-I335 PolarHBondContact O-N 3.5Å; I335-T337 HydrophobicContact CG2-CG2 4.15Å; I335-R838 HydrophobicContact CG1-CG 4.14Å; I335-R838 HydrophobicContact CG2-CG 4.45Å; I335-T840 VanDerWaalsContact CG2-OG1 3.31Å; I335-T840 WeakPolarHBondContact CG2-OG1 3.46Å; I335-V853 HydrophobicContact CD1-CG1 4.15Å; I335-V853 HydrophobicContact CD1-CG2 4.5Å; I335-V853 HydrophobicContact CG2-CG2 4.2Å; I335-E856 HydrophobicContact CD1-CB 4.47Å; I335-E856 HydrophobicContact CD1-CG 4.47Å; I335-Q857 HydrophobicContact CD1-CG 4.46Å
336	I	98.6	Very high	89.8	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.4	168.9	-48.8	-58.4	0	0	0	108.8	L316 T318 M638 R838 F839 T840	L316-I336 HydrophobicContact CD1-CG2 3.7Å; T318-I336 HydrophobicContact CG2-CD1 3.89Å; I336-M638 HydrophobicContact CD1-CB 4.4Å; I336-R838 PolarHBondContact N-O 3.01Å; I336-F839 HydrophobicContact CB-CD1 3.49Å; I336-F839 VanDerWaalsContact CB-CD1 3.49Å; I336-F839 HydrophobicContact CB-CE1 3.62Å; I336-F839 HydrophobicContact CB-CG 4.28Å; I336-F839 HydrophobicContact CG1-CD1 4.17Å; I336-F839 HydrophobicContact CG1-CE1 3.87Å; I336-F839 HydrophobicContact CG1-CZ 4.37Å; I336-F839 HydrophobicContact CG2-CD1 3.73Å; I336-F839 HydrophobicContact CG2-CE1 3.67Å; I336-F839 CarbonylContact O-C 3.5Å; I336-F839 VanDerWaalsContact O-CA 3.28Å; I336-F839 WeakPolarHBondContact O-CA 3Å; I336-T840 PolarHBondContact O-N 2.89Å
337	T	98.6	Very high	91.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.4	178.8	65.5	0	0	0	0	110.1	L316 H317 I335 T849 V853 R885	L316-T337 WeakPolarHBondContact CA-O 3.33Å; H317-T337 PolarHBondContact N-O 3.11Å; H317-T337 PolarHBondContact O-N 3.46Å; H317-T337 PolarHBondContact O-OG1 3.27Å; I335-T337 HydrophobicContact CG2-CG2 4.15Å; T337-T849 HydrophobicContact CG2-CG2 3.78Å; T337-V853 HydrophobicContact CG2-CG2 3.67Å; T337-R885 PolarHBondContact OG1-NH1 3.47Å
338	V	98.6	Very high	92.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	154	-179.1	70.5	0	0	0	0	111.4	P313 L316 A631 T840 S841 A845	P313-V338 HydrophobicContact CB-CG2 3.77Å; L316-V338 HydrophobicContact CB-CG2 4.15Å; L316-V338 HydrophobicContact CD1-CB 3.91Å; L316-V338 HydrophobicContact CD1-CG2 3.95Å; V338-A631 HydrophobicContact CB-CB 4.37Å; V338-A631 HydrophobicContact CG1-CB 4.09Å; V338-A631 HydrophobicContact CG2-CB 4.2Å; V338-T840 PolarHBondContact N-O 3.18Å; V338-S841 WeakPolarHBondContact CG1-OG 3.16Å; V338-S841 VanDerWaalsContact O-CA 3.26Å; V338-S841 WeakPolarHBondContact O-CA 3.32Å; V338-S841 WeakPolarHBondContact O-CB 3.48Å; V338-S841 PolarHBondContact O-OG 3.29Å; V338-A845 WeakPolarHBondContact O-CB 3.47Å
339	G	98.4	Very high	93.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	148.4	168.5	0	0	0	0	0	109.5	I314 P341 C842	I314-G339 PolarHBondContact O-N 3.38Å; G339-P341 VanDerWaalsContact O-CD 3.29Å; G339-P341 WeakPolarHBondContact O-CD 3.41Å; G339-C842 CarbonylContact C-O 3.57Å; G339-C842 WeakPolarHBondContact CA-O 3.24Å
340	A	98.3	Very high	94.8	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.008	19%	0.185	C	C	.	.			trans	-52.6	123.5	171.5	0	0	0	0	0	109.8	A342 L666 M679 C842	A340-A342 WeakPolarHBondContact O-CB 3.34Å; A340-A342 PolarHBondContact O-N 3.15Å; A340-L666 HydrophobicContact CB-CD1 3.68Å; A340-L666 HydrophobicContact CB-CD2 4.29Å; A340-L666 HydrophobicContact CB-CG 4.2Å; A340-M679 HydrophobicContact CB-SD 3.6Å; A340-M679 VanDerWaalsContact CB-SD 3.6Å; A340-C842 PolarHBondContact N-O 2.93Å
341	P	98.4	Very high	95.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	17%	0.172	C	C	.	.			trans	-53	111.1	174.2	-30.1	37	0	0	0	110.8	G339 V624 Q627 A628 D678 M679	G339-P341 VanDerWaalsContact O-CD 3.29Å; G339-P341 WeakPolarHBondContact O-CD 3.41Å; P341-V624 HydrophobicContact CB-CG1 3.73Å; P341-Q627 VanDerWaalsContact CA-OE1 3.29Å; P341-Q627 HydrophobicContact CB-CB 4.16Å; P341-A628 HydrophobicContact CB-CB 4.25Å; P341-A628 HydrophobicContact CG-CB 4.01Å; P341-D678 WeakPolarHBondContact O-CB 3.36Å; P341-M679 PolarHBondContact O-N 2.83Å
342	A	98.2	Very high	96.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.			trans	-159.9	142.8	-171.3	0	0	0	0	0	113.3	A340 H344 F348 Q627 M675 D678	A340-A342 WeakPolarHBondContact O-CB 3.34Å; A340-A342 PolarHBondContact O-N 3.15Å; A342-H344 VanDerWaalsContact C-N 3.27Å; A342-H344 PolarHBondContact O-N 2.99Å; A342-F348 HydrophobicContact CB-CE1 4.26Å; A342-F348 HydrophobicContact CB-CZ 3.98Å; A342-Q627 PolarHBondContact O-NE2 2.89Å; A342-Q627 PolarHBondContact O-OE1 3.16Å; A342-M675 HydrophobicContact CB-CB 4.14Å; A342-M675 HydrophobicContact CB-CG 4.02Å; A342-D678 WeakPolarHBondContact CA-OD2 3.19Å; A342-D678 HydrophobicContact CB-CB 4.24Å
343	A	97.2	Very high	96.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.			trans	-83.2	67.4	178.3	0	0	0	0	0	111.4	F345 Q346 G347 R620 V623 V624 D678	A343-F345 PolarHBondContact O-N 3.42Å; A343-Q346 HydrophobicContact CB-CB 4.14Å; A343-Q346 HydrophobicContact CB-CG 4.34Å; A343-Q346 PolarHBondContact O-N 2.91Å; A343-G347 PolarHBondContact O-N 2.99Å; A343-R620 HydrophobicContact CB-CG 3.72Å; A343-V623 HydrophobicContact CB-CG1 4.12Å; A343-V624 HydrophobicContact CB-CG2 4.42Å; A343-D678 PolarHBondContact N-OD2 3.42Å
344	H	96.8	Very high	96.5	Very high	20 Å²	20	30 Å²	30	9%	0.093	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.1	-175.2	-77.2	-73.1	0	0	0	115	K304 I314 A342 F348	K304-H344 WeakPolarHBondContact O-CB 3.11Å; I314-H344 WeakPolarHBondContact CD1-CD2 3.47Å; A342-H344 VanDerWaalsContact C-N 3.27Å; A342-H344 PolarHBondContact O-N 2.99Å; H344-F348 AromaticContact ND1-CE2 3.89Å
345	F	95.9	Very high	96.5	Very high	103 Å²	103	32.1 Å²	32.1	45%	0.452	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-40	177.4	171.8	-107.8	0	0	0	111.3	A305 K307 E310 A343	A305-F345 WeakPolarHBondContact O-CD2 3.29Å; K307-F345 HydrophobicContact CB-CD1 4.05Å; K307-F345 HydrophobicContact CB-CD2 4.01Å; K307-F345 HydrophobicContact CB-CE1 3.87Å; K307-F345 HydrophobicContact CB-CE2 3.82Å; K307-F345 HydrophobicContact CB-CG 4.13Å; K307-F345 HydrophobicContact CB-CZ 3.75Å; K307-F345 HydrophobicContact CD-CE1 4Å; K307-F345 HydrophobicContact CD-CZ 4.05Å; K307-F345 HydrophobicContact CG-CD1 3.96Å; K307-F345 HydrophobicContact CG-CE1 3.61Å; K307-F345 HydrophobicContact CG-CE2 4.45Å; K307-F345 HydrophobicContact CG-CZ 3.88Å; E310-F345 HydrophobicContact CG-CB 4.38Å; A343-F345 PolarHBondContact O-N 3.42Å
346	Q	95.1	Very high	96.3	Very high	71 Å²	71	33.5 Å²	33.5	33%	0.332	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-28.5	174.2	-64.1	168.4	40.9	0	0	113.2	E310 A343 R620	E310-Q346 WeakPolarHBondContact OE1-CG 3.41Å; E310-Q346 PolarHBondContact OE1-NE2 2.99Å; E310-Q346 VanDerWaalsContact OE1-NE2 3.1Å; A343-Q346 HydrophobicContact CB-CB 4.14Å; A343-Q346 HydrophobicContact CB-CG 4.34Å; A343-Q346 PolarHBondContact O-N 2.91Å; Q346-R620 VanDerWaalsContact OE1-CB 3.3Å
347	G	95.7	Very high	95.9	Very high	20 Å²	20	34.7 Å²	34.7	21%	0.206	17%	0.171	C	C	.	.			trans	75.7	-170.6	176.6	0	0	0	0	0	114.5	A343 R620	A343-G347 PolarHBondContact O-N 2.99Å; G347-R620 PolarHBondContact O-NH1 3.42Å; G347-R620 PolarHBondContact O-NH2 2.93Å; G347-R620 VanDerWaalsContact O-NH2 3.16Å
348	F	96.6	Very high	95.5	Very high	20 Å²	20	37.4 Å²	37.4	9%	0.088	19%	0.189	C	C	.	.	S	Bend	trans	-135.4	11.3	-162.3	-50.9	-81.3	0	0	0	114.5	A342 H344 C350 G351 R620 E671 M675 D678	A342-F348 HydrophobicContact CB-CE1 4.26Å; A342-F348 HydrophobicContact CB-CZ 3.98Å; H344-F348 AromaticContact ND1-CE2 3.89Å; F348-C350 PolarHBondContact O-N 3.4Å; F348-C350 VanDerWaalsContact O-N 3.14Å; F348-G351 PolarHBondContact O-N 2.94Å; F348-R620 VanDerWaalsContact CD1-NH2 3.33Å; F348-E671 HydrophobicContact CB-CB 4.36Å; F348-E671 HydrophobicContact CD2-CB 4.07Å; F348-E671 HydrophobicContact CG-CB 4.45Å; F348-M675 HydrophobicContact CD1-CG 4.24Å; F348-M675 HydrophobicContact CD2-CE 3.62Å; F348-M675 HydrophobicContact CD2-CG 4.36Å; F348-M675 HydrophobicContact CE1-CB 4.35Å; F348-M675 HydrophobicContact CE1-CG 3.63Å; F348-M675 HydrophobicContact CE2-CE 3.33Å; F348-M675 HydrophobicContact CE2-CG 3.83Å; F348-M675 HydrophobicContact CE2-SD 4.48Å; F348-M675 HydrophobicContact CG-CE 4.46Å; F348-M675 HydrophobicContact CZ-CE 3.94Å; F348-M675 HydrophobicContact CZ-CG 3.43Å; F348-M675 VanDerWaalsContact CZ-CG 3.43Å; F348-D678 WeakPolarHBondContact CE1-OD2 3.42Å
349	K	93.4	Very high	95	Very high	217 Å²	217	42.6 Å²	42.6	94%	0.943	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.9	-178	-69.5	-177.3	179.4	177.3	0	113
350	C	90.6	Very high	94.3	Very high	81 Å²	81	44 Å²	44	55%	0.547	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	5.4	179.5	-60.4	0	0	0	0	113.4	F348 L356 R359	F348-C350 PolarHBondContact O-N 3.4Å; F348-C350 VanDerWaalsContact O-N 3.14Å; C350-L356 HydrophobicContact CB-CD2 3.99Å; C350-R359 PolarHBondContact O-NH1 3.39Å
351	G	94.4	Very high	93.5	Very high	4 Å²	4	49.3 Å²	49.3	4%	0.041	24%	0.239	C	C	.	.			trans	93.9	179.4	-162.7	0	0	0	0	0	112.3	F348	F348-G351 PolarHBondContact O-N 2.94Å
352	G	96.6	Very high	92.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.			trans	-101.1	-173.2	172.9	0	0	0	0	0	113.3	Q354 R355 L356 G674 E677 D678	G352-Q354 PolarHBondContact O-N 3.3Å; G352-R355 PolarHBondContact O-N 3.49Å; G352-R355 VanDerWaalsContact O-N 3.15Å; G352-L356 WeakPolarHBondContact O-CG 3.41Å; G352-L356 PolarHBondContact O-N 3.13Å; G352-G674 WeakPolarHBondContact CA-O 3.43Å; G352-E677 PolarHBondContact N-OE2 3.1Å; G352-D678 WeakPolarHBondContact CA-OD1 3.31Å
353	L	96.6	Very high	91.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-47	-164.6	-175.9	57.9	0	0	0	113.8	R355 L356 L357 R620 R621 D678 T681	L353-R355 VanDerWaalsContact C-N 3.29Å; L353-R355 PolarHBondContact O-N 3.38Å; L353-L356 PolarHBondContact O-N 3.37Å; L353-L357 HydrophobicContact CD1-CD1 3.96Å; L353-L357 HydrophobicContact CD1-CD2 4.36Å; L353-L357 HydrophobicContact CD1-CG 3.88Å; L353-L357 HydrophobicContact CG-CD1 3.85Å; L353-L357 HydrophobicContact CG-CG 4.24Å; L353-L357 WeakPolarHBondContact O-CB 3.23Å; L353-L357 WeakPolarHBondContact O-CG 3.18Å; L353-L357 PolarHBondContact O-N 3.18Å; L353-R620 HydrophobicContact CD1-CB 4.19Å; L353-R620 HydrophobicContact CD1-CG 4.22Å; L353-R621 HydrophobicContact CD1-CB 4.43Å; L353-R621 HydrophobicContact CD2-CB 3.81Å; L353-R621 HydrophobicContact CD2-CG 4.04Å; L353-D678 VanDerWaalsContact CB-OD1 3.29Å; L353-D678 WeakPolarHBondContact CB-OD1 3.17Å; L353-D678 PolarHBondContact N-OD1 3.27Å; L353-T681 HydrophobicContact CD2-CG2 3.66Å; L353-T681 HydrophobicContact CG-CG2 4.04Å
354	Q	95.6	Very high	90.1	Very high	52 Å²	52	57.7 Å²	57.7	24%	0.243	29%	0.287	C	S	.	.	H	α-helix	trans	-54.2	-44.9	179.1	-172.9	-76.7	-34	0	0	112.3	G352 S358 E677 T681	G352-Q354 PolarHBondContact O-N 3.3Å; Q354-S358 PolarHBondContact NE2-OG 3.29Å; Q354-S358 WeakPolarHBondContact O-CB 3.44Å; Q354-S358 PolarHBondContact O-N 2.87Å; Q354-S358 PolarHBondContact O-OG 3.09Å; Q354-E677 HydrophobicContact CB-CB 4Å; Q354-E677 HydrophobicContact CB-CG 4.3Å; Q354-E677 WeakPolarHBondContact CB-O 3.37Å; Q354-E677 PolarHBondContact N-O 2.84Å; Q354-T681 PolarHBondContact N-OG1 2.94Å
355	R	94.3	Very high	88.6	Confident	75 Å²	75	64 Å²	64	28%	0.283	31%	0.314	S	S	.	.	H	α-helix	trans	-72.8	-38.6	-179.3	-169.6	-172	-53.8	-168.8	-3.4	111.9	G352 L353 S358 R359 E677	G352-R355 PolarHBondContact O-N 3.49Å; G352-R355 VanDerWaalsContact O-N 3.15Å; L353-R355 VanDerWaalsContact C-N 3.29Å; L353-R355 PolarHBondContact O-N 3.38Å; R355-S358 PolarHBondContact O-N 2.98Å; R355-R359 WeakPolarHBondContact O-CG 3Å; R355-R359 PolarHBondContact O-N 2.86Å; R355-E677 IonicContact CZ-OE1 2.74Å; R355-E677 IonicContact CZ-OE2 3.46Å; R355-E677 IonicContact NE-OE1 3.42Å; R355-E677 PolarHBondContact NE-OE1 2.96Å; R355-E677 IonicContact NE-OE2 2.63Å; R355-E677 PolarHBondContact NE-OE2 2.87Å; R355-E677 IonicContact NH2-OE1 3.6Å; R355-E677 PolarHBondContact NH2-OE1 3.17Å; R355-E677 IonicContact NH2-OE2 2.93Å; R355-E677 PolarHBondContact NH2-OE2 3.03Å
356	L	93.9	Very high	87	Confident	32 Å²	32	63.1 Å²	63.1	17%	0.168	32%	0.32	C	S	.	.	H	α-helix	trans	-66.3	-43.2	178	-65.9	170.5	0	0	0	111.4	C350 G352 L353 R359 Y360 L617	C350-L356 HydrophobicContact CB-CD2 3.99Å; G352-L356 WeakPolarHBondContact O-CG 3.41Å; G352-L356 PolarHBondContact O-N 3.13Å; L353-L356 PolarHBondContact O-N 3.37Å; L356-R359 PolarHBondContact O-N 3.07Å; L356-Y360 WeakPolarHBondContact O-CB 3.43Å; L356-Y360 PolarHBondContact O-N 2.95Å; L356-L617 HydrophobicContact CB-CD1 4.44Å; L356-L617 HydrophobicContact CB-CD2 3.54Å; L356-L617 HydrophobicContact CD1-CD2 3.97Å; L356-L617 HydrophobicContact CG-CD2 4.3Å
357	L	91.1	Very high	85.1	Confident	31 Å²	31	64.8 Å²	64.8	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-47.2	172.2	-70.6	171.6	0	0	0	111.2	L353 R359 Y360 E361 L617 T681	L353-L357 HydrophobicContact CD1-CD1 3.96Å; L353-L357 HydrophobicContact CD1-CD2 4.36Å; L353-L357 HydrophobicContact CD1-CG 3.88Å; L353-L357 HydrophobicContact CG-CD1 3.85Å; L353-L357 HydrophobicContact CG-CG 4.24Å; L353-L357 WeakPolarHBondContact O-CB 3.23Å; L353-L357 WeakPolarHBondContact O-CG 3.18Å; L353-L357 PolarHBondContact O-N 3.18Å; L357-R359 VanDerWaalsContact C-N 3.31Å; L357-R359 PolarHBondContact O-N 3.11Å; L357-Y360 PolarHBondContact O-N 2.97Å; L357-E361 WeakPolarHBondContact O-CG 3.35Å; L357-E361 PolarHBondContact O-N 2.82Å; L357-L617 HydrophobicContact CD2-CB 4.33Å; L357-L617 HydrophobicContact CD2-CD1 4.34Å; L357-T681 HydrophobicContact CD1-CG2 4.09Å
358	S	90.1	Very high	83.1	Confident	56 Å²	56	65.5 Å²	65.5	39%	0.392	33%	0.328	S	S	.	.	H	α-helix	trans	-58.9	-39.5	179.3	-58.8	0	0	0	0	112.9	Q354 R355 A362	Q354-S358 PolarHBondContact NE2-OG 3.29Å; Q354-S358 WeakPolarHBondContact O-CB 3.44Å; Q354-S358 PolarHBondContact O-N 2.87Å; Q354-S358 PolarHBondContact O-OG 3.09Å; R355-S358 PolarHBondContact O-N 2.98Å; S358-A362 PolarHBondContact O-N 3.43Å
359	R	89	Confident	80.8	Confident	109 Å²	109	70.6 Å²	70.6	41%	0.411	36%	0.361	S	S	.	.	H	α-helix	trans	-69.2	-47.4	174.3	-72.9	-179.9	-174.5	148.8	0.5	112	C350 R355 L356 L357 E361 A362 E363	C350-R359 PolarHBondContact O-NH1 3.39Å; R355-R359 WeakPolarHBondContact O-CG 3Å; R355-R359 PolarHBondContact O-N 2.86Å; L356-R359 PolarHBondContact O-N 3.07Å; L357-R359 VanDerWaalsContact C-N 3.31Å; L357-R359 PolarHBondContact O-N 3.11Å; R359-E361 VanDerWaalsContact C-N 3.29Å; R359-E361 PolarHBondContact O-N 2.99Å; R359-A362 WeakPolarHBondContact O-CB 3.37Å; R359-A362 PolarHBondContact O-N 3.38Å; R359-E363 WeakPolarHBondContact O-CG 3.27Å; R359-E363 PolarHBondContact O-N 3.09Å
360	Y	83.7	Confident	78.5	Confident	30 Å²	30	63.6 Å²	63.6	12%	0.118	34%	0.344	C	S	.	.	H	α-helix	trans	-58.5	-39.9	179	173.8	-100.6	0	0	0	112.3	L356 L357 E363 K364 S610 I611 L617	L356-Y360 WeakPolarHBondContact O-CB 3.43Å; L356-Y360 PolarHBondContact O-N 2.95Å; L357-Y360 PolarHBondContact O-N 2.97Å; Y360-E363 PolarHBondContact O-N 3.25Å; Y360-K364 HydrophobicContact CE1-CD 4.45Å; Y360-K364 VanDerWaalsContact O-CB 3.3Å; Y360-K364 WeakPolarHBondContact O-CB 3.23Å; Y360-K364 PolarHBondContact O-N 2.89Å; Y360-S610 WeakPolarHBondContact OH-CA 3.47Å; Y360-S610 WeakPolarHBondContact OH-CB 3.39Å; Y360-I611 HydrophobicContact CE2-CB 4.42Å; Y360-L617 HydrophobicContact CD1-CD1 4.35Å; Y360-L617 HydrophobicContact CD2-CD1 4.32Å; Y360-L617 HydrophobicContact CG-CD1 3.83Å
361	E	79.6	Confident	76.4	Confident	114 Å²	114	66.8 Å²	66.8	53%	0.533	35%	0.345	S	S	.	.	H	α-helix	trans	-66.3	-35.3	174.2	-73.2	178.5	-168.2	0	0	113.3	L357 R359 K365	L357-E361 WeakPolarHBondContact O-CG 3.35Å; L357-E361 PolarHBondContact O-N 2.82Å; R359-E361 VanDerWaalsContact C-N 3.29Å; R359-E361 PolarHBondContact O-N 2.99Å; E361-K365 WeakPolarHBondContact O-CG 3.45Å; E361-K365 PolarHBondContact O-N 2.92Å
362	A	80.9	Confident	74	Confident	55 Å²	55	76.2 Å²	76.2	46%	0.455	39%	0.388	S	S	.	.	H	α-helix	trans	-70.3	-39.4	174.7	0	0	0	0	0	112	S358 R359 S366	S358-A362 PolarHBondContact O-N 3.43Å; R359-A362 WeakPolarHBondContact O-CB 3.37Å; R359-A362 PolarHBondContact O-N 3.38Å; A362-S366 PolarHBondContact O-OG 2.97Å; A362-S366 VanDerWaalsContact O-OG 3.13Å
363	E	75.4	Confident	71.9	Confident	70 Å²	70	79.7 Å²	79.7	33%	0.327	41%	0.412	S	S	.	.	H	α-helix	trans	-68.3	-44.5	175.3	-71.2	173.5	-152.6	0	0	111.3	R359 Y360 K365 S366 F367	R359-E363 WeakPolarHBondContact O-CG 3.27Å; R359-E363 PolarHBondContact O-N 3.09Å; Y360-E363 PolarHBondContact O-N 3.25Å; E363-K365 PolarHBondContact O-N 3.37Å; E363-S366 WeakPolarHBondContact O-CA 3.4Å; E363-S366 WeakPolarHBondContact O-CB 3.47Å; E363-S366 PolarHBondContact O-N 3.16Å; E363-F367 WeakPolarHBondContact O-CD2 3.3Å; E363-F367 PolarHBondContact O-N 3.1Å; E363-F367 VanDerWaalsContact O-N 3.17Å
364	K	67.7	Low	70.3	Confident	52 Å²	52	82.7 Å²	82.7	23%	0.226	43%	0.427	C	S	.	.	H	α-helix	trans	-55.4	-36.7	176.6	-174.6	176.8	179	-178.2	0	112.5	Y360 S366 E606	Y360-K364 HydrophobicContact CE1-CD 4.45Å; Y360-K364 VanDerWaalsContact O-CB 3.3Å; Y360-K364 WeakPolarHBondContact O-CB 3.23Å; Y360-K364 PolarHBondContact O-N 2.89Å; K364-S366 VanDerWaalsContact C-N 3.28Å; K364-S366 PolarHBondContact O-N 2.97Å; K364-E606 IonicContact NZ-OE1 2.65Å; K364-E606 PolarHBondContact NZ-OE1 3.23Å
365	K	65.1	Low	68.9	Low	153 Å²	153	85.3 Å²	85.3	67%	0.665	44%	0.435	S	S	*	.	H	α-helix	trans	-66.8	-27.3	174	-71.8	171.4	-175.7	174.5	0	113.3	E361 E363	E361-K365 WeakPolarHBondContact O-CG 3.45Å; E361-K365 PolarHBondContact O-N 2.92Å; E363-K365 PolarHBondContact O-N 3.37Å
366	S	61	Low	67.8	Low	83 Å²	83	82.5 Å²	82.5	58%	0.58	43%	0.425	S	S	*	.	H	α-helix	trans	-84.7	-31.2	-177.8	-53.2	0	0	0	0	113.2	A362 E363 K364 T369	A362-S366 PolarHBondContact O-OG 2.97Å; A362-S366 VanDerWaalsContact O-OG 3.13Å; E363-S366 WeakPolarHBondContact O-CA 3.4Å; E363-S366 WeakPolarHBondContact O-CB 3.47Å; E363-S366 PolarHBondContact O-N 3.16Å; K364-S366 VanDerWaalsContact C-N 3.28Å; K364-S366 PolarHBondContact O-N 2.97Å; S366-T369 PolarHBondContact O-OG1 2.79Å
367	F	56.8	Low	66.6	Low	107 Å²	107	82 Å²	82	47%	0.469	42%	0.424	S	S	.	.	H	α-helix	trans	-82.1	-17.3	179.7	-78.3	-78.3	0	0	0	114.8	E363 T369 A370 I611	E363-F367 WeakPolarHBondContact O-CD2 3.3Å; E363-F367 PolarHBondContact O-N 3.1Å; E363-F367 VanDerWaalsContact O-N 3.17Å; F367-T369 PolarHBondContact O-N 2.99Å; F367-A370 PolarHBondContact O-N 2.78Å; F367-A370 VanDerWaalsContact O-N 3.1Å; F367-I611 HydrophobicContact CD2-CD1 4.06Å; F367-I611 HydrophobicContact CE2-CD1 3.8Å
368	S	52.3	Low	65.6	Low	34 Å²	34	83.5 Å²	83.5	24%	0.238	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-26	179.4	163.4	0	0	0	0	114.3	Y375	S368-Y375 VanDerWaalsContact OG-CE1 3.3Å; S368-Y375 WeakPolarHBondContact OG-CE1 3.47Å; S368-Y375 WeakPolarHBondContact OG-CE2 3.17Å; S368-Y375 PolarHBondContact OG-OH 3.03Å
369	T	48.9	Very low	65	Low	127 Å²	127	88.2 Å²	88.2	78%	0.779	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-3	-176.7	51.7	0	0	0	0	114.6	S366 F367	S366-T369 PolarHBondContact O-OG1 2.79Å; F367-T369 PolarHBondContact O-N 2.99Å
370	A	44	Very low	64.6	Low	70 Å²	70	87 Å²	87	58%	0.579	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-22.7	-171.2	0	0	0	0	0	115.4	F367	F367-A370 PolarHBondContact O-N 2.78Å; F367-A370 VanDerWaalsContact O-N 3.1Å
371	Y	47	Very low	64.4	Low	149 Å²	149	85.9 Å²	85.9	58%	0.584	45%	0.447	S	S	*	.			trans	-96.9	110	-178.9	-78.2	-91.2	0	0	0	111.2	C373	Y371-C373 VanDerWaalsContact C-N 3.25Å; Y371-C373 PolarHBondContact O-N 3.11Å; Y371-C373 VanDerWaalsContact O-N 3.09Å
372	Q	44.4	Very low	64.3	Low	202 Å²	202	83 Å²	83	94%	0.944	44%	0.442	S	S	*	.			trans	-79.3	16.5	-165.9	-116.3	174.1	-1.4	0	0	116.4
373	C	52.6	Low	64.5	Low	72 Å²	72	83.2 Å²	83.2	49%	0.486	43%	0.433	S	S	.	.	S	Bend	trans	-136.7	96.2	-176	-80.1	0	0	0	0	112	W266 Y371	W266-C373 HydrophobicContact CZ2-CB 4.21Å; Y371-C373 VanDerWaalsContact C-N 3.25Å; Y371-C373 PolarHBondContact O-N 3.11Å; Y371-C373 VanDerWaalsContact O-N 3.09Å
374	I	62.6	Low	65	Low	64 Å²	64	79.9 Å²	79.9	33%	0.328	42%	0.418	S	S	.	.			trans	57.7	108.7	171.6	-51.3	179.1	0	0	0	113.3	Y376 A446 Q605	I374-Y376 HydrophobicContact CG2-CE2 3.91Å; I374-A446 HydrophobicContact CD1-CB 3.7Å; I374-A446 HydrophobicContact CG2-CB 4.29Å; I374-Q605 PolarHBondContact O-OE1 3.29Å
375	Y	65.9	Low	65.8	Low	106 Å²	106	82.3 Å²	82.3	42%	0.416	43%	0.43	S	S	.	.			trans	-109.8	122.6	176.9	176	-101.4	0	0	0	111.7	S368	S368-Y375 VanDerWaalsContact OG-CE1 3.3Å; S368-Y375 WeakPolarHBondContact OG-CE1 3.47Å; S368-Y375 WeakPolarHBondContact OG-CE2 3.17Å; S368-Y375 PolarHBondContact OG-OH 3.03Å
376	Y	72.6	Confident	66.8	Low	16 Å²	16	79.7 Å²	79.7	6%	0.063	42%	0.42	C	S	.	.			trans	-92.9	131.4	164.9	-66.4	-70.3	0	0	0	110.8	I374 H380 L439 S442 A443 A446 V602	I374-Y376 HydrophobicContact CG2-CE2 3.91Å; Y376-H380 HydrophobicContact CD1-CB 4.05Å; Y376-H380 AromaticContact CD1-ND1 3.81Å; Y376-H380 HydrophobicContact CG-CB 4.41Å; Y376-L439 HydrophobicContact CD1-CD1 3.76Å; Y376-L439 HydrophobicContact CE1-CD1 3.81Å; Y376-S442 PolarHBondContact OH-O 2.96Å; Y376-A443 WeakPolarHBondContact OH-CA 2.85Å; Y376-A446 WeakPolarHBondContact OH-CB 3.35Å; Y376-V602 HydrophobicContact CD1-CG1 4.32Å; Y376-V602 HydrophobicContact CD1-CG2 4.33Å; Y376-V602 HydrophobicContact CD2-CB 4.07Å; Y376-V602 HydrophobicContact CD2-CG1 3.79Å; Y376-V602 HydrophobicContact CD2-CG2 3.91Å; Y376-V602 HydrophobicContact CE1-CG2 4.16Å; Y376-V602 HydrophobicContact CE2-CB 4.32Å; Y376-V602 HydrophobicContact CE2-CG1 4.47Å; Y376-V602 HydrophobicContact CE2-CG2 3.74Å; Y376-V602 HydrophobicContact CG-CB 4.46Å; Y376-V602 HydrophobicContact CG-CG1 3.75Å; Y376-V602 HydrophobicContact CG-CG2 4.26Å
377	S	67.9	Low	68	Low	22 Å²	22	75.8 Å²	75.8	15%	0.154	39%	0.392	C	S	.	.			trans	-68.2	161.7	176	74.6	0	0	0	0	111.3	Q379 H380 T381	S377-Q379 PolarHBondContact O-N 3.25Å; S377-Q379 VanDerWaalsContact O-N 3.09Å; S377-Q379 PolarHBondContact OG-N 3.05Å; S377-H380 WeakPolarHBondContact O-CA 3.16Å; S377-H380 WeakPolarHBondContact O-CB 3.42Å; S377-H380 PolarHBondContact O-N 3.48Å; S377-H380 PolarHBondContact OG-CD2 3.03Å; S377-H380 VanDerWaalsContact OG-CG 3.29Å; S377-H380 PolarHBondContact OG-N 2.94Å; S377-H380 VanDerWaalsContact OG-N 3.16Å; S377-T381 PolarHBondContact O-N 3.49Å
378	P	70.1	Confident	69.4	Low	63 Å²	63	72.5 Å²	72.5	41%	0.409	38%	0.379	S	S	.	.	H	α-helix	trans	-60.1	-21.1	173.4	-23.5	35.3	0	0	0	113.6	T381 A382	P378-T381 WeakPolarHBondContact CA-OG1 3.44Å; P378-T381 PolarHBondContact O-OG1 3.29Å; P378-A382 VanDerWaalsContact O-CB 3.3Å; P378-A382 WeakPolarHBondContact O-CB 3.47Å; P378-A382 PolarHBondContact O-N 2.89Å; P378-A382 VanDerWaalsContact O-N 3.1Å
379	Q	76.4	Confident	70.9	Confident	154 Å²	154	72.7 Å²	72.7	72%	0.72	38%	0.381	S	S	*	.	H	α-helix	trans	-74.2	-41.6	173.6	-64.7	161.1	-19.2	0	0	110.4	S377 K383	S377-Q379 PolarHBondContact O-N 3.25Å; S377-Q379 VanDerWaalsContact O-N 3.09Å; S377-Q379 PolarHBondContact OG-N 3.05Å; Q379-K383 VanDerWaalsContact O-CB 3.3Å; Q379-K383 WeakPolarHBondContact O-CB 3.3Å; Q379-K383 PolarHBondContact O-N 2.87Å
380	H	82.3	Confident	72.7	Confident	84 Å²	84	68.2 Å²	68.2	39%	0.389	35%	0.354	S	S	.	.	H	α-helix	trans	-65	-40.9	173.8	-61.1	169	0	0	0	111.3	Y376 S377 K383 A384 L439	Y376-H380 HydrophobicContact CD1-CB 4.05Å; Y376-H380 AromaticContact CD1-ND1 3.81Å; Y376-H380 HydrophobicContact CG-CB 4.41Å; S377-H380 WeakPolarHBondContact O-CA 3.16Å; S377-H380 WeakPolarHBondContact O-CB 3.42Å; S377-H380 PolarHBondContact O-N 3.48Å; S377-H380 PolarHBondContact OG-CD2 3.03Å; S377-H380 VanDerWaalsContact OG-CG 3.29Å; S377-H380 PolarHBondContact OG-N 2.94Å; S377-H380 VanDerWaalsContact OG-N 3.16Å; H380-K383 PolarHBondContact O-N 3.04Å; H380-A384 WeakPolarHBondContact O-CB 3.41Å; H380-A384 PolarHBondContact O-N 3.33Å; H380-L439 HydrophobicContact CB-CD1 3.81Å; H380-L439 HydrophobicContact CB-CD2 4.31Å; H380-L439 WeakPolarHBondContact O-CD2 3.15Å
381	T	78.8	Confident	74.7	Confident	6 Å²	6	65.3 Å²	65.3	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-70.1	-39.5	179.4	65.9	0	0	0	0	112	S377 P378 K383 A384 Q385 V602 E606	S377-T381 PolarHBondContact O-N 3.49Å; P378-T381 WeakPolarHBondContact CA-OG1 3.44Å; P378-T381 PolarHBondContact O-OG1 3.29Å; T381-K383 VanDerWaalsContact C-N 3.35Å; T381-K383 PolarHBondContact O-N 3.31Å; T381-A384 PolarHBondContact O-N 3.39Å; T381-Q385 WeakPolarHBondContact O-CG 3.39Å; T381-Q385 PolarHBondContact O-N 3.43Å; T381-Q385 VanDerWaalsContact O-N 3.13Å; T381-V602 HydrophobicContact CG2-CG1 4.14Å; T381-E606 VanDerWaalsContact CB-CD 3.5Å; T381-E606 VanDerWaalsContact CB-OE2 3.28Å; T381-E606 WeakPolarHBondContact CB-OE2 3.39Å; T381-E606 HydrophobicContact CG2-CB 3.82Å; T381-E606 HydrophobicContact CG2-CG 4.31Å; T381-E606 VanDerWaalsContact OG1-CD 3.28Å; T381-E606 PolarHBondContact OG1-OE1 3Å; T381-E606 PolarHBondContact OG1-OE2 3.23Å
382	A	77.9	Confident	76.4	Confident	53 Å²	53	61 Å²	61	44%	0.438	32%	0.321	S	S	.	.	H	α-helix	trans	-60.7	-42.4	170	0	0	0	0	0	112.1	P378 A384 Q385 E386	P378-A382 VanDerWaalsContact O-CB 3.3Å; P378-A382 WeakPolarHBondContact O-CB 3.47Å; P378-A382 PolarHBondContact O-N 2.89Å; P378-A382 VanDerWaalsContact O-N 3.1Å; A382-A384 PolarHBondContact O-N 2.97Å; A382-Q385 PolarHBondContact O-N 2.94Å; A382-E386 PolarHBondContact O-N 3.36Å
383	K	85	Confident	78.4	Confident	61 Å²	61	56.6 Å²	56.6	27%	0.265	30%	0.303	S	S	.	.	H	α-helix	trans	-65.9	-35.8	176.4	-172.9	56.6	168.5	-175.9	0	112.5	Q379 H380 T381 Q385 E386 V387 D437 L439	Q379-K383 VanDerWaalsContact O-CB 3.3Å; Q379-K383 WeakPolarHBondContact O-CB 3.3Å; Q379-K383 PolarHBondContact O-N 2.87Å; H380-K383 PolarHBondContact O-N 3.04Å; T381-K383 VanDerWaalsContact C-N 3.35Å; T381-K383 PolarHBondContact O-N 3.31Å; K383-Q385 VanDerWaalsContact C-N 3.34Å; K383-Q385 PolarHBondContact O-N 3.26Å; K383-E386 HydrophobicContact CD-CB 4.35Å; K383-E386 WeakPolarHBondContact CD-OE2 3.16Å; K383-E386 IonicContact NZ-OE1 3.3Å; K383-E386 PolarHBondContact NZ-OE1 3.48Å; K383-E386 IonicContact NZ-OE2 3.35Å; K383-E386 PolarHBondContact NZ-OE2 3.33Å; K383-E386 WeakPolarHBondContact O-CB 3.23Å; K383-E386 PolarHBondContact O-N 3.12Å; K383-V387 HydrophobicContact CD-CG2 4.46Å; K383-V387 HydrophobicContact CG-CG2 4.49Å; K383-V387 WeakPolarHBondContact O-CG2 3.49Å; K383-V387 PolarHBondContact O-N 3.31Å; K383-D437 WeakPolarHBondContact CE-OD2 3.28Å; K383-D437 IonicContact NZ-OD2 3.99Å; K383-L439 HydrophobicContact CB-CD2 3.81Å; K383-L439 HydrophobicContact CG-CD2 3.93Å
384	A	86.4	Confident	80.1	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-39.5	173.5	0	0	0	0	0	112.3	H380 T381 A382 L388 L439 M599 V602 L603	H380-A384 WeakPolarHBondContact O-CB 3.41Å; H380-A384 PolarHBondContact O-N 3.33Å; T381-A384 PolarHBondContact O-N 3.39Å; A382-A384 PolarHBondContact O-N 2.97Å; A384-L388 WeakPolarHBondContact O-CB 3.3Å; A384-L388 WeakPolarHBondContact O-CG 3.39Å; A384-L388 PolarHBondContact O-N 3.43Å; A384-L439 HydrophobicContact CB-CD2 4.18Å; A384-M599 HydrophobicContact CB-CB 4.19Å; A384-M599 HydrophobicContact CB-CG 4.42Å; A384-M599 HydrophobicContact CB-SD 3.7Å; A384-V602 HydrophobicContact CB-CB 4.13Å; A384-V602 HydrophobicContact CB-CG1 3.86Å; A384-L603 HydrophobicContact CB-CD2 4.18Å; A384-L603 HydrophobicContact CB-CG 4.39Å
385	Q	83.6	Confident	81.5	Confident	103 Å²	103	53 Å²	53	48%	0.481	28%	0.278	S	S	.	.	H	α-helix	trans	-65.8	-41.9	173.3	-64.3	174.9	13.5	0	0	111.7	T381 A382 K383 S389 L603	T381-Q385 WeakPolarHBondContact O-CG 3.39Å; T381-Q385 PolarHBondContact O-N 3.43Å; T381-Q385 VanDerWaalsContact O-N 3.13Å; A382-Q385 PolarHBondContact O-N 2.94Å; K383-Q385 VanDerWaalsContact C-N 3.34Å; K383-Q385 PolarHBondContact O-N 3.26Å; Q385-S389 WeakPolarHBondContact O-CB 3.44Å; Q385-S389 PolarHBondContact O-N 3.49Å; Q385-L603 HydrophobicContact CG-CD1 4.09Å; Q385-L603 HydrophobicContact CG-CD2 3.83Å
386	E	85.5	Confident	82.7	Confident	97 Å²	97	51.3 Å²	51.3	45%	0.453	28%	0.279	S	S	.	.	H	α-helix	trans	-59.1	-51	174.6	-169.8	-155.8	131.3	0	0	111.3	A382 K383 L388 S389 T390	A382-E386 PolarHBondContact O-N 3.36Å; K383-E386 HydrophobicContact CD-CB 4.35Å; K383-E386 WeakPolarHBondContact CD-OE2 3.16Å; K383-E386 IonicContact NZ-OE1 3.3Å; K383-E386 PolarHBondContact NZ-OE1 3.48Å; K383-E386 IonicContact NZ-OE2 3.35Å; K383-E386 PolarHBondContact NZ-OE2 3.33Å; K383-E386 WeakPolarHBondContact O-CB 3.23Å; K383-E386 PolarHBondContact O-N 3.12Å; E386-L388 PolarHBondContact O-N 3.01Å; E386-S389 PolarHBondContact O-N 3.38Å; E386-T390 PolarHBondContact O-N 2.81Å; E386-T390 PolarHBondContact O-OG1 2.76Å; E386-T390 VanDerWaalsContact O-OG1 3.08Å
387	V	87.6	Confident	83.6	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-58.4	-50.1	178.1	169.7	0	0	0	0	110.9	K383 S389 T390 V391 T434 L435 V440 M599	K383-V387 HydrophobicContact CD-CG2 4.46Å; K383-V387 HydrophobicContact CG-CG2 4.49Å; K383-V387 WeakPolarHBondContact O-CG2 3.49Å; K383-V387 PolarHBondContact O-N 3.31Å; V387-S389 VanDerWaalsContact C-N 3.31Å; V387-S389 PolarHBondContact O-N 2.79Å; V387-T390 PolarHBondContact O-N 2.9Å; V387-V391 HydrophobicContact CG1-CG2 4.16Å; V387-V391 VanDerWaalsContact O-CB 3.28Å; V387-V391 WeakPolarHBondContact O-CB 3.43Å; V387-V391 WeakPolarHBondContact O-CG2 3.46Å; V387-V391 PolarHBondContact O-N 2.82Å; V387-T434 HydrophobicContact CG1-CG2 4.36Å; V387-T434 HydrophobicContact CG2-CG2 4.32Å; V387-L435 HydrophobicContact CG1-CD2 3.99Å; V387-V440 HydrophobicContact CG1-CG2 4.16Å; V387-M599 HydrophobicContact CB-CG 4.31Å; V387-M599 HydrophobicContact CB-SD 4.22Å; V387-M599 HydrophobicContact CG1-CG 3.93Å; V387-M599 HydrophobicContact CG1-SD 4.18Å
388	L	86.4	Confident	84.8	Confident	38 Å²	38	53.1 Å²	53.1	20%	0.199	29%	0.288	C	S	.	.	H	α-helix	trans	-57.1	-43.7	176.4	-77.5	169.3	0	0	0	112.1	A384 E386 S392 K596 M599 L603	A384-L388 WeakPolarHBondContact O-CB 3.3Å; A384-L388 WeakPolarHBondContact O-CG 3.39Å; A384-L388 PolarHBondContact O-N 3.43Å; E386-L388 PolarHBondContact O-N 3.01Å; L388-S392 WeakPolarHBondContact O-CB 3.47Å; L388-S392 PolarHBondContact O-N 3.06Å; L388-S392 PolarHBondContact O-OG 2.93Å; L388-K596 HydrophobicContact CD2-CB 4.34Å; L388-K596 HydrophobicContact CD2-CG 4.12Å; L388-M599 HydrophobicContact CD1-CB 3.76Å; L388-M599 HydrophobicContact CD2-CB 3.87Å; L388-M599 HydrophobicContact CD2-CG 4.5Å; L388-M599 HydrophobicContact CG-CB 3.56Å; L388-M599 HydrophobicContact CG-CG 4.19Å; L388-L603 HydrophobicContact CD1-CD1 3.6Å
389	S	83.7	Confident	85.8	Confident	38 Å²	38	52.2 Å²	52.2	27%	0.266	28%	0.281	S	S	.	.	H	α-helix	trans	-64.8	-48.6	179.2	-157.9	0	0	0	0	111.6	Q385 E386 V387 V391 S392 L393 R711	Q385-S389 WeakPolarHBondContact O-CB 3.44Å; Q385-S389 PolarHBondContact O-N 3.49Å; E386-S389 PolarHBondContact O-N 3.38Å; V387-S389 VanDerWaalsContact C-N 3.31Å; V387-S389 PolarHBondContact O-N 2.79Å; S389-V391 PolarHBondContact O-N 2.77Å; S389-S392 PolarHBondContact O-N 3.29Å; S389-S392 PolarHBondContact O-OG 2.68Å; S389-L393 PolarHBondContact O-N 2.64Å; S389-L393 VanDerWaalsContact O-N 3.15Å; S389-R711 PolarHBondContact OG-NH2 2.77Å
390	T	85.2	Confident	86.6	Confident	34 Å²	34	47.6 Å²	47.6	21%	0.209	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-40.9	177.8	-57.6	0	0	0	0	112.3	E386 V387 L393 L394 T434	E386-T390 PolarHBondContact O-N 2.81Å; E386-T390 PolarHBondContact O-OG1 2.76Å; E386-T390 VanDerWaalsContact O-OG1 3.08Å; V387-T390 PolarHBondContact O-N 2.9Å; T390-L393 PolarHBondContact O-N 3.2Å; T390-L394 HydrophobicContact CG2-CD1 3.67Å; T390-L394 HydrophobicContact CG2-CG 4.26Å; T390-L394 WeakPolarHBondContact O-CB 3.4Å; T390-L394 WeakPolarHBondContact O-CG 3.47Å; T390-L394 PolarHBondContact O-N 3.25Å; T390-T434 HydrophobicContact CG2-CG2 3.86Å
391	V	86.9	Confident	87.2	Confident	8 Å²	8	44.7 Å²	44.7	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-45.6	176.4	168.8	0	0	0	0	111.2	V387 S389 L393 L394 Q395 F431 L435 V592	V387-V391 HydrophobicContact CG1-CG2 4.16Å; V387-V391 VanDerWaalsContact O-CB 3.28Å; V387-V391 WeakPolarHBondContact O-CB 3.43Å; V387-V391 WeakPolarHBondContact O-CG2 3.46Å; V387-V391 PolarHBondContact O-N 2.82Å; S389-V391 PolarHBondContact O-N 2.77Å; V391-L393 PolarHBondContact O-N 3.48Å; V391-L394 PolarHBondContact O-N 2.85Å; V391-Q395 WeakPolarHBondContact O-CB 3.2Å; V391-Q395 PolarHBondContact O-N 3.15Å; V391-F431 HydrophobicContact CG1-CE2 4.34Å; V391-L435 HydrophobicContact CG2-CD1 4.43Å; V391-L435 HydrophobicContact CG2-CD2 3.66Å; V391-L435 HydrophobicContact CG2-CG 4.19Å; V391-V592 HydrophobicContact CG1-CB 4.25Å; V391-V592 HydrophobicContact CG1-CG1 3.85Å; V391-V592 HydrophobicContact CG1-CG2 3.9Å
392	S	83.3	Confident	87.9	Confident	60 Å²	60	44.5 Å²	44.5	42%	0.42	25%	0.252	S	S	.	.	H	α-helix	trans	-63.1	-25.1	177.6	71.7	0	0	0	0	113.8	L388 S389 P396	L388-S392 WeakPolarHBondContact O-CB 3.47Å; L388-S392 PolarHBondContact O-N 3.06Å; L388-S392 PolarHBondContact O-OG 2.93Å; S389-S392 PolarHBondContact O-N 3.29Å; S389-S392 PolarHBondContact O-OG 2.68Å; S392-P396 WeakPolarHBondContact O-CD 3.38Å; S392-P396 WeakPolarHBondContact O-CG 3.18Å
393	L	86.1	Confident	88.6	Confident	109 Å²	109	45.6 Å²	45.6	57%	0.571	25%	0.251	S	S	*	.	H	α-helix	trans	-82.6	-44.7	173.5	179.6	64.3	0	0	0	112.2	S389 T390 V391 P396 L397	S389-L393 PolarHBondContact O-N 2.64Å; S389-L393 VanDerWaalsContact O-N 3.15Å; T390-L393 PolarHBondContact O-N 3.2Å; V391-L393 PolarHBondContact O-N 3.48Å; L393-P396 WeakPolarHBondContact O-CD 3.48Å; L393-P396 WeakPolarHBondContact O-CG 3.45Å; L393-L397 HydrophobicContact CD1-CD1 4.08Å; L393-L397 HydrophobicContact CG-CD1 4.02Å; L393-L397 WeakPolarHBondContact O-CD1 3.35Å; L393-L397 VanDerWaalsContact O-CG 3.29Å; L393-L397 WeakPolarHBondContact O-CG 3.36Å
394	L	88.8	Confident	89	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-75.6	-35.6	-173.3	-70.4	175.7	0	0	0	113.4	T390 V391 L397 I398 K427 Q430 F431	T390-L394 HydrophobicContact CG2-CD1 3.67Å; T390-L394 HydrophobicContact CG2-CG 4.26Å; T390-L394 WeakPolarHBondContact O-CB 3.4Å; T390-L394 WeakPolarHBondContact O-CG 3.47Å; T390-L394 PolarHBondContact O-N 3.25Å; V391-L394 PolarHBondContact O-N 2.85Å; L394-L397 PolarHBondContact O-N 3.36Å; L394-I398 HydrophobicContact CB-CD1 4.35Å; L394-I398 WeakPolarHBondContact O-CB 3.43Å; L394-I398 VanDerWaalsContact O-CG1 3.28Å; L394-I398 WeakPolarHBondContact O-CG1 3.3Å; L394-I398 PolarHBondContact O-N 2.95Å; L394-K427 HydrophobicContact CD2-CD 4.11Å; L394-Q430 HydrophobicContact CD1-CB 4.43Å; L394-Q430 HydrophobicContact CD1-CG 4.05Å; L394-F431 HydrophobicContact CB-CB 4.29Å; L394-F431 HydrophobicContact CB-CD2 4.08Å; L394-F431 HydrophobicContact CD1-CB 3.91Å
395	Q	91.7	Very high	89.4	Confident	57 Å²	57	47.4 Å²	47.4	27%	0.266	26%	0.26	S	S	.	.	H	α-helix	trans	-54.1	-56.3	178	176.1	-160.7	5.1	0	0	113.4	V391 L397 I398 T399 V592	V391-Q395 WeakPolarHBondContact O-CB 3.2Å; V391-Q395 PolarHBondContact O-N 3.15Å; Q395-L397 VanDerWaalsContact C-N 3.32Å; Q395-L397 PolarHBondContact O-N 3.12Å; Q395-I398 PolarHBondContact O-N 3.12Å; Q395-T399 WeakPolarHBondContact O-CB 3.32Å; Q395-T399 PolarHBondContact O-N 3.19Å; Q395-T399 PolarHBondContact O-OG1 3.14Å; Q395-V592 HydrophobicContact CB-CG2 3.93Å; Q395-V592 HydrophobicContact CG-CG2 3.96Å
396	P	90.2	Very high	89.8	Confident	70 Å²	70	43.2 Å²	43.2	46%	0.455	24%	0.241	S	C	.	.	H	α-helix	trans	-67.1	-32.1	-179.9	26.1	-34.9	0	0	0	112.3	S392 L393 T399 S400	S392-P396 WeakPolarHBondContact O-CD 3.38Å; S392-P396 WeakPolarHBondContact O-CG 3.18Å; L393-P396 WeakPolarHBondContact O-CD 3.48Å; L393-P396 WeakPolarHBondContact O-CG 3.45Å; P396-T399 PolarHBondContact O-N 2.94Å; P396-S400 WeakPolarHBondContact O-CB 3.5Å; P396-S400 PolarHBondContact O-N 3.41Å
397	L	91.2	Very high	90.1	Very high	75 Å²	75	43.1 Å²	43.1	39%	0.393	24%	0.241	S	C	.	.	H	α-helix	trans	-65	-48.4	175.2	-71.3	173.4	0	0	0	111.9	L393 L394 Q395 T399 S400 L401	L393-L397 HydrophobicContact CD1-CD1 4.08Å; L393-L397 HydrophobicContact CG-CD1 4.02Å; L393-L397 WeakPolarHBondContact O-CD1 3.35Å; L393-L397 VanDerWaalsContact O-CG 3.29Å; L393-L397 WeakPolarHBondContact O-CG 3.36Å; L394-L397 PolarHBondContact O-N 3.36Å; Q395-L397 VanDerWaalsContact C-N 3.32Å; Q395-L397 PolarHBondContact O-N 3.12Å; L397-T399 VanDerWaalsContact C-N 3.28Å; L397-T399 PolarHBondContact O-N 3.42Å; L397-S400 PolarHBondContact O-N 3.44Å; L397-L401 WeakPolarHBondContact O-CB 3.46Å; L397-L401 VanDerWaalsContact O-CG 3.29Å; L397-L401 WeakPolarHBondContact O-CG 3.46Å; L397-L401 PolarHBondContact O-N 3.05Å
398	I	92.8	Very high	90.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-42.2	175	-70.1	165.4	0	0	0	110.3	L394 Q395 L401 A402 L424 K427 F431 V588	L394-I398 HydrophobicContact CB-CD1 4.35Å; L394-I398 WeakPolarHBondContact O-CB 3.43Å; L394-I398 VanDerWaalsContact O-CG1 3.28Å; L394-I398 WeakPolarHBondContact O-CG1 3.3Å; L394-I398 PolarHBondContact O-N 2.95Å; Q395-I398 PolarHBondContact O-N 3.12Å; I398-L401 PolarHBondContact O-N 3.21Å; I398-A402 WeakPolarHBondContact O-CB 3.42Å; I398-A402 PolarHBondContact O-N 3.18Å; I398-L424 HydrophobicContact CG2-CD1 3.87Å; I398-K427 HydrophobicContact CG1-CB 4.04Å; I398-F431 HydrophobicContact CD1-CB 3.57Å; I398-F431 HydrophobicContact CD1-CD1 4.31Å; I398-F431 HydrophobicContact CD1-CD2 4.2Å; I398-F431 HydrophobicContact CD1-CG 3.8Å; I398-V588 HydrophobicContact CG2-CG1 4.46Å; I398-V588 HydrophobicContact CG2-CG2 4.17Å
399	T	92.7	Very high	90.5	Very high	44 Å²	44	41.6 Å²	41.6	27%	0.27	23%	0.234	S	C	.	.	H	α-helix	trans	-61.5	-45.2	176.7	-53.9	0	0	0	0	111.7	Q395 P396 L397 A402 D403 K585	Q395-T399 WeakPolarHBondContact O-CB 3.32Å; Q395-T399 PolarHBondContact O-N 3.19Å; Q395-T399 PolarHBondContact O-OG1 3.14Å; P396-T399 PolarHBondContact O-N 2.94Å; L397-T399 VanDerWaalsContact C-N 3.28Å; L397-T399 PolarHBondContact O-N 3.42Å; T399-A402 WeakPolarHBondContact O-CB 3.47Å; T399-A402 PolarHBondContact O-N 3.4Å; T399-D403 PolarHBondContact O-N 2.74Å; T399-D403 VanDerWaalsContact O-OD2 3.1Å; T399-K585 HydrophobicContact CG2-CD 4.08Å
400	S	93.5	Very high	90.7	Very high	57 Å²	57	43.4 Å²	43.4	40%	0.399	24%	0.24	S	C	.	.	H	α-helix	trans	-67.6	-41.8	178.4	-177	0	0	0	0	112.7	P396 L397 A402 D403 Q404	P396-S400 WeakPolarHBondContact O-CB 3.5Å; P396-S400 PolarHBondContact O-N 3.41Å; L397-S400 PolarHBondContact O-N 3.44Å; S400-A402 VanDerWaalsContact C-N 3.31Å; S400-A402 PolarHBondContact O-N 3.25Å; S400-D403 PolarHBondContact O-N 2.89Å; S400-D403 VanDerWaalsContact O-N 3.14Å; S400-Q404 WeakPolarHBondContact O-CG 3.45Å; S400-Q404 PolarHBondContact O-N 3.07Å
401	L	93.9	Very high	90.8	Very high	23 Å²	23	47.7 Å²	47.7	12%	0.12	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-36.3	175.5	-70.9	167.7	0	0	0	111.8	L397 I398 Q404 L405 L424 K427	L397-L401 WeakPolarHBondContact O-CB 3.46Å; L397-L401 VanDerWaalsContact O-CG 3.29Å; L397-L401 WeakPolarHBondContact O-CG 3.46Å; L397-L401 PolarHBondContact O-N 3.05Å; I398-L401 PolarHBondContact O-N 3.21Å; L401-Q404 PolarHBondContact O-N 3.47Å; L401-L405 PolarHBondContact O-N 3.48Å; L401-L424 HydrophobicContact CB-CB 4.16Å; L401-L424 HydrophobicContact CB-CD1 4.06Å; L401-K427 HydrophobicContact CD1-CB 4.12Å; L401-K427 HydrophobicContact CD1-CG 3.76Å
402	A	93.5	Very high	90.8	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-38	170.8	0	0	0	0	0	112.5	I398 T399 S400 L406 L424 V581 K585	I398-A402 WeakPolarHBondContact O-CB 3.42Å; I398-A402 PolarHBondContact O-N 3.18Å; T399-A402 WeakPolarHBondContact O-CB 3.47Å; T399-A402 PolarHBondContact O-N 3.4Å; S400-A402 VanDerWaalsContact C-N 3.31Å; S400-A402 PolarHBondContact O-N 3.25Å; A402-L406 PolarHBondContact O-N 3.34Å; A402-L424 HydrophobicContact CB-CD1 4.24Å; A402-L424 HydrophobicContact CB-CD2 4.47Å; A402-V581 HydrophobicContact CB-CG1 3.65Å; A402-K585 HydrophobicContact CB-CG 4.27Å
403	D	93.4	Very high	91.1	Very high	77 Å²	77	50.7 Å²	50.7	41%	0.412	27%	0.268	S	S	.	.	H	α-helix	trans	-70.1	-39.2	172	-74.9	-47.8	0	0	0	112.8	T399 S400 L405 L406 Q407 K585	T399-D403 PolarHBondContact O-N 2.74Å; T399-D403 VanDerWaalsContact O-OD2 3.1Å; S400-D403 PolarHBondContact O-N 2.89Å; S400-D403 VanDerWaalsContact O-N 3.14Å; D403-L405 VanDerWaalsContact C-N 3.28Å; D403-L405 PolarHBondContact O-N 2.8Å; D403-L406 PolarHBondContact O-N 3.14Å; D403-L406 VanDerWaalsContact O-N 3.14Å; D403-Q407 PolarHBondContact O-N 2.98Å; D403-K585 IonicContact OD1-NZ 3.28Å; D403-K585 PolarHBondContact OD1-NZ 3.22Å; D403-K585 IonicContact OD2-NZ 2.65Å; D403-K585 PolarHBondContact OD2-NZ 3.29Å
404	Q	92.9	Very high	91.2	Very high	98 Å²	98	47.3 Å²	47.3	46%	0.458	25%	0.253	S	S	.	.	H	α-helix	trans	-60.7	-37.4	173.2	-71	172.5	25.9	0	0	111.8	S400 L401 Q407 A408 A420	S400-Q404 WeakPolarHBondContact O-CG 3.45Å; S400-Q404 PolarHBondContact O-N 3.07Å; L401-Q404 PolarHBondContact O-N 3.47Å; Q404-Q407 PolarHBondContact O-N 2.96Å; Q404-A408 WeakPolarHBondContact O-CB 3.35Å; Q404-A408 PolarHBondContact O-N 3.25Å; Q404-A420 HydrophobicContact CB-CB 4.46Å
405	L	93.8	Very high	91.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-40.9	173.9	-171.6	72	0	0	0	112	L401 D403 A409 L417 A420 L421 L424 V538 V542 V581	L401-L405 PolarHBondContact O-N 3.48Å; D403-L405 VanDerWaalsContact C-N 3.28Å; D403-L405 PolarHBondContact O-N 2.8Å; L405-A409 WeakPolarHBondContact O-CB 3.32Å; L405-A409 PolarHBondContact O-N 3.26Å; L405-L417 HydrophobicContact CD1-CD1 3.73Å; L405-L417 HydrophobicContact CD1-CG 4.06Å; L405-L417 WeakPolarHBondContact CD1-O 3.36Å; L405-L417 HydrophobicContact CG-CD1 4.25Å; L405-A420 HydrophobicContact CB-CB 4.22Å; L405-A420 HydrophobicContact CD1-CB 4.01Å; L405-L421 HydrophobicContact CD1-CB 3.96Å; L405-L421 HydrophobicContact CD2-CD1 4.37Å; L405-L424 HydrophobicContact CD2-CD2 3.99Å; L405-V538 HydrophobicContact CD2-CG1 3.45Å; L405-V538 VanDerWaalsContact CD2-CG1 3.45Å; L405-V542 HydrophobicContact CD1-CG2 4.18Å; L405-V542 HydrophobicContact CD2-CG2 4.3Å; L405-V581 HydrophobicContact CD2-CG2 4.14Å
406	L	93.2	Very high	90.9	Very high	16 Å²	16	49 Å²	49	8%	0.084	28%	0.276	C	S	.	.	H	α-helix	trans	-70.5	-30.3	175.1	-66.7	175.7	0	0	0	112.9	A402 D403 L410 R574 L577 V581	A402-L406 PolarHBondContact O-N 3.34Å; D403-L406 PolarHBondContact O-N 3.14Å; D403-L406 VanDerWaalsContact O-N 3.14Å; L406-L410 PolarHBondContact O-N 2.94Å; L406-L410 VanDerWaalsContact O-N 3.12Å; L406-R574 HydrophobicContact CD2-CG 4.37Å; L406-L577 HydrophobicContact CD2-CB 3.82Å; L406-V581 HydrophobicContact CD1-CB 4.08Å; L406-V581 HydrophobicContact CD1-CG1 3.73Å; L406-V581 HydrophobicContact CD2-CB 4Å; L406-V581 HydrophobicContact CD2-CG1 4.38Å; L406-V581 HydrophobicContact CD2-CG2 3.84Å; L406-V581 HydrophobicContact CG-CB 4.12Å; L406-V581 HydrophobicContact CG-CG1 3.93Å; L406-V581 HydrophobicContact CG-CG2 4.16Å
407	Q	91.8	Very high	91	Very high	95 Å²	95	45.7 Å²	45.7	44%	0.444	25%	0.254	S	S	.	.	H	α-helix	trans	-71.8	-44.9	174.2	-173.5	60.9	27.9	0	0	111.5	D403 Q404 A409 L410 E411	D403-Q407 PolarHBondContact O-N 2.98Å; Q404-Q407 PolarHBondContact O-N 2.96Å; Q407-A409 PolarHBondContact O-N 3.49Å; Q407-L410 WeakPolarHBondContact O-CB 3.18Å; Q407-L410 PolarHBondContact O-N 3.43Å; Q407-L410 VanDerWaalsContact O-N 3.12Å; Q407-E411 WeakPolarHBondContact CG-OE1 3.24Å; Q407-E411 PolarHBondContact NE2-OE1 2.98Å; Q407-E411 WeakPolarHBondContact O-CG 3.42Å; Q407-E411 PolarHBondContact O-N 3.42Å
408	A	91.4	Very high	90.9	Very high	7 Å²	7	47.5 Å²	47.5	6%	0.058	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-31.2	172.9	0	0	0	0	0	112.3	Q404 H412 S413 L417	Q404-A408 WeakPolarHBondContact O-CB 3.35Å; Q404-A408 PolarHBondContact O-N 3.25Å; A408-H412 PolarHBondContact O-N 2.63Å; A408-S413 PolarHBondContact O-N 2.81Å; A408-L417 HydrophobicContact CB-CB 4.45Å; A408-L417 HydrophobicContact CB-CD1 4.24Å
409	A	89.8	Confident	90.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.8	-42.8	172.4	0	0	0	0	0	113	L405 Q407 E411 H412 L417 W573 R574 L577	L405-A409 WeakPolarHBondContact O-CB 3.32Å; L405-A409 PolarHBondContact O-N 3.26Å; Q407-A409 PolarHBondContact O-N 3.49Å; A409-E411 VanDerWaalsContact C-N 3.3Å; A409-E411 PolarHBondContact O-N 2.95Å; A409-H412 PolarHBondContact O-N 3.1Å; A409-L417 HydrophobicContact CB-CD1 4.03Å; A409-W573 HydrophobicContact CB-CB 3.95Å; A409-R574 HydrophobicContact CB-CB 4.28Å; A409-L577 HydrophobicContact CB-CD1 3.77Å
410	L	88.6	Confident	90.8	Very high	75 Å²	75	50.8 Å²	50.8	39%	0.393	28%	0.275	S	S	.	.	H	α-helix	trans	-59.8	-40.6	172.8	-84.3	161	0	0	0	112.7	L406 Q407 H412 R574	L406-L410 PolarHBondContact O-N 2.94Å; L406-L410 VanDerWaalsContact O-N 3.12Å; Q407-L410 WeakPolarHBondContact O-CB 3.18Å; Q407-L410 PolarHBondContact O-N 3.43Å; Q407-L410 VanDerWaalsContact O-N 3.12Å; L410-H412 PolarHBondContact O-N 2.83Å; L410-R574 VanDerWaalsContact CD1-CD 3.42Å; L410-R574 HydrophobicContact CD2-CB 4.39Å; L410-R574 HydrophobicContact CG-CB 4.14Å; L410-R574 HydrophobicContact CG-CG 4.36Å
411	E	88.2	Confident	90.9	Very high	124 Å²	124	48.8 Å²	48.8	58%	0.579	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.7	-178.7	-68.2	169.9	-168.6	0	0	112.7	Q407 A409 S413	Q407-E411 WeakPolarHBondContact CG-OE1 3.24Å; Q407-E411 PolarHBondContact NE2-OE1 2.98Å; Q407-E411 WeakPolarHBondContact O-CG 3.42Å; Q407-E411 PolarHBondContact O-N 3.42Å; A409-E411 VanDerWaalsContact C-N 3.3Å; A409-E411 PolarHBondContact O-N 2.95Å; E411-S413 PolarHBondContact O-N 3.4Å; E411-S413 VanDerWaalsContact O-N 3.15Å
412	H	87	Confident	90.8	Very high	97 Å²	97	54.3 Å²	54.3	45%	0.449	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	34	-171.7	-75.2	-78	0	0	0	113.2	A408 A409 L410 S414 W573	A408-H412 PolarHBondContact O-N 2.63Å; A409-H412 PolarHBondContact O-N 3.1Å; L410-H412 PolarHBondContact O-N 2.83Å; H412-S414 PolarHBondContact O-N 2.86Å; H412-W573 HydrophobicContact CB-CE3 4.45Å; H412-W573 HydrophobicContact CB-CH2 4.34Å; H412-W573 HydrophobicContact CB-CZ3 4.23Å; H412-W573 AromaticContact CE1-CD1 3.51Å; H412-W573 AromaticContact CE1-CD2 3.8Å; H412-W573 AromaticContact CE1-CE2 3.84Å; H412-W573 AromaticContact CE1-CG 3.6Å; H412-W573 AromaticContact CE1-NE1 3.68Å; H412-W573 AromaticContact ND1-CD1 3.71Å; H412-W573 AromaticContact ND1-CD2 3.23Å; H412-W573 AromaticContact ND1-CE2 3.22Å; H412-W573 AromaticContact ND1-CE3 3.69Å; H412-W573 AromaticContact ND1-CG 3.56Å; H412-W573 AromaticContact ND1-CZ2 3.64Å; H412-W573 AromaticContact ND1-NE1 3.54Å
413	S	88.6	Confident	90.8	Very high	35 Å²	35	56.6 Å²	56.6	25%	0.245	30%	0.3	C	S	.	.			trans	-87.2	89.9	-172.1	-176.1	0	0	0	0	111.3	A408 E411 S415 G416 L417	A408-S413 PolarHBondContact O-N 2.81Å; E411-S413 PolarHBondContact O-N 3.4Å; E411-S413 VanDerWaalsContact O-N 3.15Å; S413-S415 PolarHBondContact O-N 3.4Å; S413-S415 VanDerWaalsContact O-N 3.16Å; S413-G416 PolarHBondContact O-N 2.58Å; S413-G416 VanDerWaalsContact O-N 3.14Å; S413-G416 PolarHBondContact OG-N 3.24Å; S413-L417 WeakPolarHBondContact O-CB 3.39Å; S413-L417 PolarHBondContact O-N 3.43Å
414	S	87.4	Confident	90.9	Very high	37 Å²	37	53 Å²	53	26%	0.259	28%	0.28	S	S	.	.	H	α-helix	trans	-58.5	-25.4	-179.2	-69.6	0	0	0	0	114.9	H412 K418 D549 W573	H412-S414 PolarHBondContact O-N 2.86Å; S414-K418 WeakPolarHBondContact O-CG 3.4Å; S414-D549 PolarHBondContact OG-OD2 3.48Å; S414-W573 WeakPolarHBondContact OG-CH2 3.46Å
415	S	87.8	Confident	90.9	Very high	76 Å²	76	49.1 Å²	49.1	53%	0.531	26%	0.264	S	S	.	.	H	α-helix	trans	-80.2	-49.7	170.6	47.7	0	0	0	0	111.7	S413 L417 K418 D419	S413-S415 PolarHBondContact O-N 3.4Å; S413-S415 VanDerWaalsContact O-N 3.16Å; S415-L417 PolarHBondContact O-N 3.45Å; S415-K418 WeakPolarHBondContact O-CB 3.35Å; S415-K418 PolarHBondContact O-N 2.9Å; S415-D419 PolarHBondContact O-N 3.11Å
416	G	88.3	Confident	90.9	Very high	22 Å²	22	53.2 Å²	53.2	23%	0.227	29%	0.286	C	S	.	.	H	α-helix	trans	-58	-36.7	178.1	0	0	0	0	0	112.9	S413 K418 D419 A420	S413-G416 PolarHBondContact O-N 2.58Å; S413-G416 VanDerWaalsContact O-N 3.14Å; S413-G416 PolarHBondContact OG-N 3.24Å; G416-K418 PolarHBondContact O-N 3.48Å; G416-D419 PolarHBondContact O-N 2.98Å; G416-A420 WeakPolarHBondContact O-CB 3.32Å; G416-A420 PolarHBondContact O-N 3.43Å
417	L	90.4	Very high	90.8	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-39.3	176.8	-156.9	74.7	0	0	0	111.7	L405 A408 A409 S413 S415 L421 V542 L546 W573 L577	L405-L417 HydrophobicContact CD1-CD1 3.73Å; L405-L417 HydrophobicContact CD1-CG 4.06Å; L405-L417 WeakPolarHBondContact CD1-O 3.36Å; L405-L417 HydrophobicContact CG-CD1 4.25Å; A408-L417 HydrophobicContact CB-CB 4.45Å; A408-L417 HydrophobicContact CB-CD1 4.24Å; A409-L417 HydrophobicContact CB-CD1 4.03Å; S413-L417 WeakPolarHBondContact O-CB 3.39Å; S413-L417 PolarHBondContact O-N 3.43Å; S415-L417 PolarHBondContact O-N 3.45Å; L417-L421 WeakPolarHBondContact O-CB 3.35Å; L417-L421 PolarHBondContact O-N 3.46Å; L417-V542 HydrophobicContact CD2-CB 4.39Å; L417-V542 HydrophobicContact CD2-CG1 3.72Å; L417-V542 HydrophobicContact CD2-CG2 4.27Å; L417-V542 HydrophobicContact CG-CG1 3.84Å; L417-V542 HydrophobicContact CG-CG2 4.18Å; L417-L546 HydrophobicContact CD2-CD2 4.28Å; L417-L546 HydrophobicContact CD2-CG 4.27Å; L417-W573 HydrophobicContact CD2-CE3 4.22Å; L417-W573 HydrophobicContact CD2-CZ3 4.32Å; L417-L577 HydrophobicContact CD1-CD1 3.99Å
418	K	90.4	Very high	90.8	Very high	112 Å²	112	51.5 Å²	51.5	49%	0.487	28%	0.277	S	S	.	.	H	α-helix	trans	-70.6	-45.6	176.6	-72	175.1	179.4	177.8	0	112.1	S414 S415 G416 L421 K422 L546	S414-K418 WeakPolarHBondContact O-CG 3.4Å; S415-K418 WeakPolarHBondContact O-CB 3.35Å; S415-K418 PolarHBondContact O-N 2.9Å; G416-K418 PolarHBondContact O-N 3.48Å; K418-L421 PolarHBondContact O-N 3.01Å; K418-K422 WeakPolarHBondContact O-CB 3.33Å; K418-K422 PolarHBondContact O-N 3.13Å; K418-L546 HydrophobicContact CD-CD1 4.35Å; K418-L546 HydrophobicContact CG-CD1 3.75Å
419	D	91.1	Very high	90.7	Very high	106 Å²	106	57.1 Å²	57.1	57%	0.567	30%	0.301	S	S	*	.	H	α-helix	trans	-68.8	-40.5	-177.9	-67.7	-31.1	0	0	0	111.7	S415 G416 S423	S415-D419 PolarHBondContact O-N 3.11Å; G416-D419 PolarHBondContact O-N 2.98Å; D419-S423 WeakPolarHBondContact O-CB 3.23Å; D419-S423 PolarHBondContact O-N 3.5Å; D419-S423 VanDerWaalsContact O-N 3.08Å; D419-S423 PolarHBondContact O-OG 3.43Å
420	A	91.9	Very high	90.6	Very high	8 Å²	8	61.2 Å²	61.2	7%	0.066	32%	0.32	C	S	.	.	H	α-helix	trans	-66.1	-44.3	173.3	0	0	0	0	0	111.8	Q404 L405 G416 S423 L424	Q404-A420 HydrophobicContact CB-CB 4.46Å; L405-A420 HydrophobicContact CB-CB 4.22Å; L405-A420 HydrophobicContact CD1-CB 4.01Å; G416-A420 WeakPolarHBondContact O-CB 3.32Å; G416-A420 PolarHBondContact O-N 3.43Å; A420-S423 PolarHBondContact O-N 3.27Å; A420-L424 WeakPolarHBondContact O-CB 3.22Å; A420-L424 PolarHBondContact O-N 3.32Å
421	L	94.7	Very high	90.7	Very high	16 Å²	16	57.7 Å²	57.7	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-46	177.9	-179.7	67.7	0	0	0	111.7	L405 L417 K418 L424 S425 V538 I539 V542	L405-L421 HydrophobicContact CD1-CB 3.96Å; L405-L421 HydrophobicContact CD2-CD1 4.37Å; L417-L421 WeakPolarHBondContact O-CB 3.35Å; L417-L421 PolarHBondContact O-N 3.46Å; K418-L421 PolarHBondContact O-N 3.01Å; L421-L424 PolarHBondContact O-N 3.18Å; L421-S425 WeakPolarHBondContact O-CB 3.48Å; L421-S425 PolarHBondContact O-N 3.04Å; L421-V538 HydrophobicContact CD1-CG1 3.95Å; L421-I539 HydrophobicContact CD1-CG1 3.81Å; L421-I539 HydrophobicContact CD2-CB 4.39Å; L421-I539 HydrophobicContact CD2-CG1 4.13Å; L421-I539 HydrophobicContact CD2-CG2 4.41Å; L421-I539 HydrophobicContact CG-CG1 4.25Å; L421-V542 HydrophobicContact CD1-CG2 4.36Å; L421-V542 HydrophobicContact CD2-CB 3.85Å; L421-V542 HydrophobicContact CD2-CG1 3.63Å; L421-V542 HydrophobicContact CD2-CG2 4.29Å
422	K	93.6	Very high	90.5	Very high	138 Å²	138	52.6 Å²	52.6	60%	0.6	28%	0.279	S	S	*	.	H	α-helix	trans	-58.9	-50.1	178	-178.1	179	178.2	-177.7	0	110.9	K418 L424 S425 D426	K418-K422 WeakPolarHBondContact O-CB 3.33Å; K418-K422 PolarHBondContact O-N 3.13Å; K422-L424 VanDerWaalsContact C-N 3.32Å; K422-L424 PolarHBondContact O-N 3.06Å; K422-S425 PolarHBondContact O-N 3.16Å; K422-D426 VanDerWaalsContact O-CG 3.29Å; K422-D426 PolarHBondContact O-N 2.87Å
423	S	93.5	Very high	90.4	Very high	50 Å²	50	55 Å²	55	35%	0.35	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-41	178.3	-57.7	0	0	0	0	112.1	D419 A420 K427	D419-S423 WeakPolarHBondContact O-CB 3.23Å; D419-S423 PolarHBondContact O-N 3.5Å; D419-S423 VanDerWaalsContact O-N 3.08Å; D419-S423 PolarHBondContact O-OG 3.43Å; A420-S423 PolarHBondContact O-N 3.27Å; S423-K427 WeakPolarHBondContact O-CB 3.15Å; S423-K427 VanDerWaalsContact O-CG 3.29Å; S423-K427 WeakPolarHBondContact O-CG 3.4Å; S423-K427 PolarHBondContact O-N 3.47Å; S423-K427 VanDerWaalsContact O-N 3.13Å
424	L	94.5	Very high	90.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-43.1	175.2	178.6	61.7	0	0	0	111.6	I398 L401 A402 L405 A420 L421 K422 T428 L535 L584	I398-L424 HydrophobicContact CG2-CD1 3.87Å; L401-L424 HydrophobicContact CB-CB 4.16Å; L401-L424 HydrophobicContact CB-CD1 4.06Å; A402-L424 HydrophobicContact CB-CD1 4.24Å; A402-L424 HydrophobicContact CB-CD2 4.47Å; L405-L424 HydrophobicContact CD2-CD2 3.99Å; A420-L424 WeakPolarHBondContact O-CB 3.22Å; A420-L424 PolarHBondContact O-N 3.32Å; L421-L424 PolarHBondContact O-N 3.18Å; K422-L424 VanDerWaalsContact C-N 3.32Å; K422-L424 PolarHBondContact O-N 3.06Å; L424-T428 VanDerWaalsContact O-CB 3.25Å; L424-T428 WeakPolarHBondContact O-CB 3.44Å; L424-T428 PolarHBondContact O-N 2.83Å; L424-T428 PolarHBondContact O-OG1 3.44Å; L424-L535 HydrophobicContact CG-CD1 4.34Å; L424-L584 HydrophobicContact CD1-CD2 4.39Å; L424-L584 HydrophobicContact CD2-CD2 4.07Å; L424-L584 HydrophobicContact CG-CD2 4.44Å
425	S	93.6	Very high	89.9	Confident	18 Å²	18	52.9 Å²	52.9	13%	0.126	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-54.5	177.3	-161.6	0	0	0	0	110.9	L421 K422 K427 T428 E429	L421-S425 WeakPolarHBondContact O-CB 3.48Å; L421-S425 PolarHBondContact O-N 3.04Å; K422-S425 PolarHBondContact O-N 3.16Å; S425-K427 VanDerWaalsContact C-N 3.26Å; S425-K427 PolarHBondContact O-N 3.25Å; S425-T428 PolarHBondContact O-N 3.08Å; S425-T428 VanDerWaalsContact O-N 3.07Å; S425-E429 PolarHBondContact O-N 2.88Å
426	D	92.9	Very high	89.3	Confident	85 Å²	85	54.7 Å²	54.7	46%	0.455	27%	0.273	S	S	.	.	H	α-helix	trans	-54.2	-42.1	-179.9	-67.9	-10.8	0	0	0	111.5	K422 Q430	K422-D426 VanDerWaalsContact O-CG 3.29Å; K422-D426 PolarHBondContact O-N 2.87Å; D426-Q430 WeakPolarHBondContact O-CB 3.39Å; D426-Q430 PolarHBondContact O-N 3.29Å; D426-Q430 VanDerWaalsContact O-N 3.1Å
427	K	92.4	Very high	89	Confident	75 Å²	75	56.1 Å²	56.1	33%	0.326	28%	0.275	S	S	.	.	H	α-helix	trans	-76.2	-33.5	179	-64.7	-66.9	155.5	-161.3	0	113.5	L394 I398 L401 S423 S425 Q430 F431	L394-K427 HydrophobicContact CD2-CD 4.11Å; I398-K427 HydrophobicContact CG1-CB 4.04Å; L401-K427 HydrophobicContact CD1-CB 4.12Å; L401-K427 HydrophobicContact CD1-CG 3.76Å; S423-K427 WeakPolarHBondContact O-CB 3.15Å; S423-K427 VanDerWaalsContact O-CG 3.29Å; S423-K427 WeakPolarHBondContact O-CG 3.4Å; S423-K427 PolarHBondContact O-N 3.47Å; S423-K427 VanDerWaalsContact O-N 3.13Å; S425-K427 VanDerWaalsContact C-N 3.26Å; S425-K427 PolarHBondContact O-N 3.25Å; K427-Q430 PolarHBondContact O-N 2.73Å; K427-F431 WeakPolarHBondContact O-CB 3.48Å; K427-F431 PolarHBondContact O-N 2.65Å
428	T	90.6	Very high	88.6	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-71	-37.6	175.9	-56.1	0	0	0	0	111.2	L424 S425 F431 V432 V531 L535	L424-T428 VanDerWaalsContact O-CB 3.25Å; L424-T428 WeakPolarHBondContact O-CB 3.44Å; L424-T428 PolarHBondContact O-N 2.83Å; L424-T428 PolarHBondContact O-OG1 3.44Å; S425-T428 PolarHBondContact O-N 3.08Å; S425-T428 VanDerWaalsContact O-N 3.07Å; T428-F431 PolarHBondContact O-N 3.33Å; T428-V432 WeakPolarHBondContact O-CG2 3.38Å; T428-V432 PolarHBondContact O-N 3.09Å; T428-V531 HydrophobicContact CG2-CG1 3.57Å; T428-L535 HydrophobicContact CG2-CD2 3.93Å
429	E	88.7	Confident	88.4	Confident	124 Å²	124	58 Å²	58	58%	0.579	29%	0.286	S	S	*	.	H	α-helix	trans	-63.9	-45.4	171.6	-74	-173.8	-166.2	0	0	111.9	S425 F431 V432 H433	S425-E429 PolarHBondContact O-N 2.88Å; E429-F431 VanDerWaalsContact C-N 3.28Å; E429-F431 PolarHBondContact O-N 3.09Å; E429-V432 PolarHBondContact O-N 3.13Å; E429-H433 WeakPolarHBondContact O-CB 3.36Å; E429-H433 PolarHBondContact O-N 3.21Å
430	Q	88.7	Confident	88.1	Confident	86 Å²	86	52.9 Å²	52.9	40%	0.402	26%	0.259	S	S	.	.	H	α-helix	trans	-56.1	-44.1	174.4	-172.1	178.9	1	0	0	111.4	L394 D426 K427 H433 T434	L394-Q430 HydrophobicContact CD1-CB 4.43Å; L394-Q430 HydrophobicContact CD1-CG 4.05Å; D426-Q430 WeakPolarHBondContact O-CB 3.39Å; D426-Q430 PolarHBondContact O-N 3.29Å; D426-Q430 VanDerWaalsContact O-N 3.1Å; K427-Q430 PolarHBondContact O-N 2.73Å; Q430-H433 PolarHBondContact O-N 3.46Å; Q430-T434 PolarHBondContact O-N 2.86Å; Q430-T434 VanDerWaalsContact O-N 3.09Å; Q430-T434 PolarHBondContact O-OG1 2.86Å
431	F	89.4	Confident	87.6	Confident	1 Å²	1	54.8 Å²	54.8	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-63.6	-46	177.2	170	-95.8	0	0	0	112.9	V391 L394 I398 K427 T428 E429 H433 T434 L435 V588 V591 V592	V391-F431 HydrophobicContact CG1-CE2 4.34Å; L394-F431 HydrophobicContact CB-CB 4.29Å; L394-F431 HydrophobicContact CB-CD2 4.08Å; L394-F431 HydrophobicContact CD1-CB 3.91Å; I398-F431 HydrophobicContact CD1-CB 3.57Å; I398-F431 HydrophobicContact CD1-CD1 4.31Å; I398-F431 HydrophobicContact CD1-CD2 4.2Å; I398-F431 HydrophobicContact CD1-CG 3.8Å; K427-F431 WeakPolarHBondContact O-CB 3.48Å; K427-F431 PolarHBondContact O-N 2.65Å; T428-F431 PolarHBondContact O-N 3.33Å; E429-F431 VanDerWaalsContact C-N 3.28Å; E429-F431 PolarHBondContact O-N 3.09Å; F431-H433 VanDerWaalsContact C-N 3.32Å; F431-H433 PolarHBondContact O-N 2.95Å; F431-T434 PolarHBondContact O-N 3.36Å; F431-L435 HydrophobicContact CD1-CD1 4.35Å; F431-L435 HydrophobicContact CD2-CD1 4.28Å; F431-L435 HydrophobicContact CE1-CD1 3.81Å; F431-L435 HydrophobicContact CE2-CD1 3.73Å; F431-L435 HydrophobicContact CZ-CD1 3.47Å; F431-L435 VanDerWaalsContact CZ-CD1 3.47Å; F431-L435 PolarHBondContact O-N 3.47Å; F431-V588 HydrophobicContact CE1-CG1 4.18Å; F431-V588 HydrophobicContact CE1-CG2 4.46Å; F431-V588 HydrophobicContact CE2-CG1 4.4Å; F431-V588 HydrophobicContact CZ-CG1 3.95Å; F431-V591 HydrophobicContact CE1-CB 4.35Å; F431-V591 HydrophobicContact CE1-CG1 3.71Å; F431-V591 HydrophobicContact CZ-CB 4.26Å; F431-V591 HydrophobicContact CZ-CG1 3.67Å; F431-V592 HydrophobicContact CE2-CG2 3.73Å; F431-V592 HydrophobicContact CZ-CG2 3.79Å
432	V	85.1	Confident	87.1	Confident	17 Å²	17	55.1 Å²	55.1	10%	0.103	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-39	175.6	169.3	0	0	0	0	111.1	T428 E429 L435 K436 W528 V531	T428-V432 WeakPolarHBondContact O-CG2 3.38Å; T428-V432 PolarHBondContact O-N 3.09Å; E429-V432 PolarHBondContact O-N 3.13Å; V432-L435 PolarHBondContact O-N 3.35Å; V432-K436 HydrophobicContact CG1-CD 4.18Å; V432-K436 HydrophobicContact CG1-CG 4.5Å; V432-K436 WeakPolarHBondContact O-CG 3.38Å; V432-K436 PolarHBondContact O-N 3.42Å; V432-K436 VanDerWaalsContact O-N 3.16Å; V432-W528 HydrophobicContact CG1-CE3 3.69Å; V432-W528 HydrophobicContact CG1-CZ3 3.92Å; V432-V531 HydrophobicContact CG2-CG1 4.3Å
433	H	85.7	Confident	86.8	Confident	149 Å²	149	48.6 Å²	48.6	69%	0.69	24%	0.241	S	C	*	.	H	α-helix	trans	-63.1	-44	177.2	-175	-72.8	0	0	0	112.1	E429 Q430 F431 L435 K436	E429-H433 WeakPolarHBondContact O-CB 3.36Å; E429-H433 PolarHBondContact O-N 3.21Å; Q430-H433 PolarHBondContact O-N 3.46Å; F431-H433 VanDerWaalsContact C-N 3.32Å; F431-H433 PolarHBondContact O-N 2.95Å; H433-L435 PolarHBondContact O-N 3.15Å; H433-K436 PolarHBondContact O-N 2.91Å
434	T	83.5	Confident	86.4	Confident	25 Å²	25	47 Å²	47	15%	0.153	23%	0.228	C	C	.	.	H	α-helix	trans	-59.8	-32.9	176.3	-64.8	0	0	0	0	112.8	V387 T390 Q430 F431	V387-T434 HydrophobicContact CG1-CG2 4.36Å; V387-T434 HydrophobicContact CG2-CG2 4.32Å; T390-T434 HydrophobicContact CG2-CG2 3.86Å; Q430-T434 PolarHBondContact O-N 2.86Å; Q430-T434 VanDerWaalsContact O-N 3.09Å; Q430-T434 PolarHBondContact O-OG1 2.86Å; F431-T434 PolarHBondContact O-N 3.36Å
435	L	80.9	Confident	85.8	Confident	2 Å²	2	49 Å²	49	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-93	-6.4	-175	-68.2	-180	0	0	0	115.1	V387 V391 F431 V432 H433 D437 V440 W524 V591 A595	V387-L435 HydrophobicContact CG1-CD2 3.99Å; V391-L435 HydrophobicContact CG2-CD1 4.43Å; V391-L435 HydrophobicContact CG2-CD2 3.66Å; V391-L435 HydrophobicContact CG2-CG 4.19Å; F431-L435 HydrophobicContact CD1-CD1 4.35Å; F431-L435 HydrophobicContact CD2-CD1 4.28Å; F431-L435 HydrophobicContact CE1-CD1 3.81Å; F431-L435 HydrophobicContact CE2-CD1 3.73Å; F431-L435 HydrophobicContact CZ-CD1 3.47Å; F431-L435 VanDerWaalsContact CZ-CD1 3.47Å; F431-L435 PolarHBondContact O-N 3.47Å; V432-L435 PolarHBondContact O-N 3.35Å; H433-L435 PolarHBondContact O-N 3.15Å; L435-D437 PolarHBondContact O-N 3.5Å; L435-V440 HydrophobicContact CD2-CG2 4.45Å; L435-W524 HydrophobicContact CB-CZ2 4.44Å; L435-V591 HydrophobicContact CD1-CG1 3.27Å; L435-A595 HydrophobicContact CD1-CB 4.43Å; L435-A595 HydrophobicContact CD2-CB 3.5Å; L435-A595 VanDerWaalsContact CD2-CB 3.5Å
436	K	76.3	Confident	85.4	Confident	114 Å²	114	48.4 Å²	48.4	50%	0.496	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	3.2	168.9	-80.1	174.3	172.9	178.5	0	113.8	V432 H433 E438 W528	V432-K436 HydrophobicContact CG1-CD 4.18Å; V432-K436 HydrophobicContact CG1-CG 4.5Å; V432-K436 WeakPolarHBondContact O-CG 3.38Å; V432-K436 PolarHBondContact O-N 3.42Å; V432-K436 VanDerWaalsContact O-N 3.16Å; H433-K436 PolarHBondContact O-N 2.91Å; K436-E438 PolarHBondContact O-N 3.26Å; K436-W528 HydrophobicContact CD-CH2 4.47Å; K436-W528 HydrophobicContact CG-CZ2 4.4Å
437	D	81.6	Confident	85	Confident	51 Å²	51	44.7 Å²	44.7	27%	0.273	22%	0.215	S	C	.	.			trans	-63.6	130.9	176.7	-163.9	-61.5	0	0	0	110.7	K383 L435 L439 V440	K383-D437 WeakPolarHBondContact CE-OD2 3.28Å; K383-D437 IonicContact NZ-OD2 3.99Å; L435-D437 PolarHBondContact O-N 3.5Å; D437-L439 PolarHBondContact O-N 3.34Å; D437-L439 VanDerWaalsContact O-N 3.1Å; D437-L439 WeakPolarHBondContact OD1-CB 3.42Å; D437-L439 PolarHBondContact OD1-N 2.71Å; D437-V440 HydrophobicContact CB-CG2 4.32Å; D437-V440 WeakPolarHBondContact O-CB 3.39Å; D437-V440 PolarHBondContact O-N 2.94Å
438	E	82.2	Confident	84.5	Confident	142 Å²	142	43.6 Å²	43.6	66%	0.664	21%	0.211	S	C	*	.	H	α-helix	trans	-58.2	-23.3	179	-71.2	-63.7	157.8	0	0	112.6	K436 V440 K441 S442	K436-E438 PolarHBondContact O-N 3.26Å; E438-V440 VanDerWaalsContact C-N 3.31Å; E438-V440 PolarHBondContact O-N 3.44Å; E438-K441 PolarHBondContact O-N 3.35Å; E438-S442 WeakPolarHBondContact O-CB 3.43Å; E438-S442 PolarHBondContact O-N 3.45Å; E438-S442 PolarHBondContact O-OG 3.21Å
439	L	84.8	Confident	84	Confident	9 Å²	9	45.3 Å²	45.3	5%	0.047	23%	0.225	C	C	.	.	H	α-helix	trans	-61.8	-38.4	170.5	-177.6	61.2	0	0	0	112.1	Y376 H380 K383 A384 D437 S442 A443 M599 V602	Y376-L439 HydrophobicContact CD1-CD1 3.76Å; Y376-L439 HydrophobicContact CE1-CD1 3.81Å; H380-L439 HydrophobicContact CB-CD1 3.81Å; H380-L439 HydrophobicContact CB-CD2 4.31Å; H380-L439 WeakPolarHBondContact O-CD2 3.15Å; K383-L439 HydrophobicContact CB-CD2 3.81Å; K383-L439 HydrophobicContact CG-CD2 3.93Å; A384-L439 HydrophobicContact CB-CD2 4.18Å; D437-L439 PolarHBondContact O-N 3.34Å; D437-L439 VanDerWaalsContact O-N 3.1Å; D437-L439 WeakPolarHBondContact OD1-CB 3.42Å; D437-L439 PolarHBondContact OD1-N 2.71Å; L439-S442 WeakPolarHBondContact CA-OG 3.33Å; L439-S442 PolarHBondContact O-OG 3.31Å; L439-A443 WeakPolarHBondContact O-CB 3.43Å; L439-A443 PolarHBondContact O-N 2.82Å; L439-M599 HydrophobicContact CD2-SD 4.23Å; L439-M599 HydrophobicContact CG-CE 4.16Å; L439-M599 HydrophobicContact CG-SD 4.32Å; L439-V602 HydrophobicContact CD1-CG2 4.34Å
440	V	84.9	Confident	83.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.4	-44.6	179.4	-177	0	0	0	0	110.4	V387 L435 D437 E438 A443 L444 W524 A595 M599	V387-V440 HydrophobicContact CG1-CG2 4.16Å; L435-V440 HydrophobicContact CD2-CG2 4.45Å; D437-V440 HydrophobicContact CB-CG2 4.32Å; D437-V440 WeakPolarHBondContact O-CB 3.39Å; D437-V440 PolarHBondContact O-N 2.94Å; E438-V440 VanDerWaalsContact C-N 3.31Å; E438-V440 PolarHBondContact O-N 3.44Å; V440-A443 PolarHBondContact O-N 2.77Å; V440-L444 HydrophobicContact CG1-CD1 4.09Å; V440-L444 WeakPolarHBondContact O-CB 3.39Å; V440-L444 VanDerWaalsContact O-CG 3.31Å; V440-L444 WeakPolarHBondContact O-CG 3.18Å; V440-L444 PolarHBondContact O-N 2.62Å; V440-W524 HydrophobicContact CG1-CH2 4.34Å; V440-W524 HydrophobicContact CG1-CZ2 3.64Å; V440-A595 HydrophobicContact CG1-CB 4.39Å; V440-M599 HydrophobicContact CB-CE 4.3Å; V440-M599 HydrophobicContact CG2-CE 3.98Å; V440-M599 HydrophobicContact CG2-SD 4.18Å
441	K	82.8	Confident	83.5	Confident	48 Å²	48	41.1 Å²	41.1	21%	0.209	20%	0.2	C	C	.	.	H	α-helix	trans	-63.4	-47.3	176.9	-171.5	163.6	-177.7	160.8	0	111.8	E438 A443 L444 L445 D525	E438-K441 PolarHBondContact O-N 3.35Å; K441-A443 PolarHBondContact O-N 3.22Å; K441-L444 PolarHBondContact O-N 2.79Å; K441-L445 WeakPolarHBondContact O-CG 3.11Å; K441-L445 PolarHBondContact O-N 2.79Å; K441-L445 VanDerWaalsContact O-N 3.13Å; K441-D525 IonicContact NZ-OD2 2.89Å; K441-D525 PolarHBondContact NZ-OD2 2.93Å
442	S	83.8	Confident	82.6	Confident	23 Å²	23	43.4 Å²	43.4	16%	0.161	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-34.1	177.4	58.5	0	0	0	0	113.6	Y376 E438 L439 A446	Y376-S442 PolarHBondContact OH-O 2.96Å; E438-S442 WeakPolarHBondContact O-CB 3.43Å; E438-S442 PolarHBondContact O-N 3.45Å; E438-S442 PolarHBondContact O-OG 3.21Å; L439-S442 WeakPolarHBondContact CA-OG 3.33Å; L439-S442 PolarHBondContact O-OG 3.31Å; S442-A446 WeakPolarHBondContact O-CB 2.64Å; S442-A446 PolarHBondContact O-N 3.15Å
443	A	87.2	Confident	81.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.5	-37.8	174.4	0	0	0	0	0	113.3	Y376 L439 V440 K441 A446 L447 A598 M599 V602	Y376-A443 WeakPolarHBondContact OH-CA 2.85Å; L439-A443 WeakPolarHBondContact O-CB 3.43Å; L439-A443 PolarHBondContact O-N 2.82Å; V440-A443 PolarHBondContact O-N 2.77Å; K441-A443 PolarHBondContact O-N 3.22Å; A443-A446 PolarHBondContact O-N 3.25Å; A443-L447 WeakPolarHBondContact O-CB 3.28Å; A443-L447 PolarHBondContact O-N 3.44Å; A443-A598 HydrophobicContact CB-CB 3.9Å; A443-M599 HydrophobicContact CB-CE 3.46Å; A443-M599 VanDerWaalsContact CB-CE 3.46Å; A443-V602 HydrophobicContact CB-CG2 3.56Å
444	L	85.1	Confident	79.8	Confident	17 Å²	17	40.3 Å²	40.3	9%	0.089	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-42.9	173.5	-76.9	165.6	0	0	0	111.8	V440 K441 L447 H448 W524 K594 A598	V440-L444 HydrophobicContact CG1-CD1 4.09Å; V440-L444 WeakPolarHBondContact O-CB 3.39Å; V440-L444 VanDerWaalsContact O-CG 3.31Å; V440-L444 WeakPolarHBondContact O-CG 3.18Å; V440-L444 PolarHBondContact O-N 2.62Å; K441-L444 PolarHBondContact O-N 2.79Å; L444-L447 PolarHBondContact O-N 3.23Å; L444-H448 WeakPolarHBondContact O-CB 3.19Å; L444-H448 PolarHBondContact O-N 3.01Å; L444-W524 HydrophobicContact CD1-CB 4.18Å; L444-W524 HydrophobicContact CD1-CD2 3.25Å; L444-W524 HydrophobicContact CD1-CE3 3.55Å; L444-W524 HydrophobicContact CD1-CG 3.55Å; L444-W524 HydrophobicContact CD1-CH2 4.32Å; L444-W524 HydrophobicContact CD1-CZ2 4.09Å; L444-W524 HydrophobicContact CD1-CZ3 4.09Å; L444-K594 HydrophobicContact CD2-CB 4.29Å; L444-A598 HydrophobicContact CD2-CB 3.78Å; L444-A598 HydrophobicContact CG-CB 3.72Å
445	L	82.3	Confident	78.1	Confident	43 Å²	43	42.3 Å²	42.3	23%	0.225	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-48.6	172.5	-78.3	163.4	0	0	0	111.7	K441 H448 A449 Y519	K441-L445 WeakPolarHBondContact O-CG 3.11Å; K441-L445 PolarHBondContact O-N 2.79Å; K441-L445 VanDerWaalsContact O-N 3.13Å; L445-H448 PolarHBondContact O-N 3.42Å; L445-A449 PolarHBondContact O-N 3.49Å; L445-Y519 HydrophobicContact CD2-CD1 3.25Å; L445-Y519 HydrophobicContact CD2-CD2 4.18Å; L445-Y519 HydrophobicContact CD2-CE1 3.57Å; L445-Y519 HydrophobicContact CD2-CE2 4.45Å; L445-Y519 HydrophobicContact CD2-CG 3.58Å; L445-Y519 HydrophobicContact CG-CD1 4.21Å; L445-Y519 HydrophobicContact CG-CE1 4.03Å
446	A	83.8	Confident	76.3	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.033	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-43.1	179.6	0	0	0	0	0	112.7	I374 Y376 S442 A443 H448 A449 A450 F601	I374-A446 HydrophobicContact CD1-CB 3.7Å; I374-A446 HydrophobicContact CG2-CB 4.29Å; Y376-A446 WeakPolarHBondContact OH-CB 3.35Å; S442-A446 WeakPolarHBondContact O-CB 2.64Å; S442-A446 PolarHBondContact O-N 3.15Å; A443-A446 PolarHBondContact O-N 3.25Å; A446-H448 VanDerWaalsContact C-N 3.34Å; A446-H448 PolarHBondContact O-N 3.14Å; A446-A449 PolarHBondContact O-N 3.2Å; A446-A450 WeakPolarHBondContact O-CB 3.48Å; A446-A450 PolarHBondContact O-N 2.84Å; A446-F601 HydrophobicContact CB-CD1 4.26Å; A446-F601 HydrophobicContact CB-CE1 3.85Å
447	L	85.1	Confident	74.5	Confident	8 Å²	8	46.1 Å²	46.1	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-35.4	175.7	176.2	59.8	0	0	0	112.1	L262 A443 L444 A450 R597 F601	L262-L447 HydrophobicContact CD2-CD1 3.85Å; A443-L447 WeakPolarHBondContact O-CB 3.28Å; A443-L447 PolarHBondContact O-N 3.44Å; L444-L447 PolarHBondContact O-N 3.23Å; L447-A450 WeakPolarHBondContact O-CB 3.46Å; L447-A450 PolarHBondContact O-N 2.96Å; L447-R597 HydrophobicContact CD2-CB 3.87Å; L447-F601 HydrophobicContact CB-CB 4.24Å; L447-F601 HydrophobicContact CB-CD1 4.08Å; L447-F601 HydrophobicContact CB-CG 4.04Å; L447-F601 HydrophobicContact CD1-CB 4.1Å; L447-F601 HydrophobicContact CD1-CD2 3.73Å; L447-F601 HydrophobicContact CD1-CE2 4.37Å; L447-F601 HydrophobicContact CD1-CG 3.92Å
448	H	82.4	Confident	72.4	Confident	52 Å²	52	48.4 Å²	48.4	24%	0.241	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-47.7	173.7	-174.1	105.8	0	0	0	111.3	L444 L445 A446 A450 R451 Y519	L444-H448 WeakPolarHBondContact O-CB 3.19Å; L444-H448 PolarHBondContact O-N 3.01Å; L445-H448 PolarHBondContact O-N 3.42Å; A446-H448 VanDerWaalsContact C-N 3.34Å; A446-H448 PolarHBondContact O-N 3.14Å; H448-A450 PolarHBondContact O-N 2.87Å; H448-R451 WeakPolarHBondContact O-CB 3.35Å; H448-R451 PolarHBondContact O-N 3.36Å; H448-R451 VanDerWaalsContact O-N 3.13Å; H448-Y519 HydrophobicContact CB-CD2 3.79Å; H448-Y519 HydrophobicContact CB-CE2 3.8Å; H448-Y519 AromaticContact CG-CD2 3.55Å; H448-Y519 AromaticContact CG-CE2 3.92Å; H448-Y519 AromaticContact ND1-CD2 3.62Å; H448-Y519 AromaticContact ND1-CE2 3.88Å
449	A	80.8	Confident	70.2	Confident	37 Å²	37	49.4 Å²	49.4	31%	0.306	28%	0.277	S	S	.	.	H	α-helix	trans	-62	-24.1	176.6	0	0	0	0	0	113.1	L445 A446 R451	L445-A449 PolarHBondContact O-N 3.49Å; A446-A449 PolarHBondContact O-N 3.2Å; A449-R451 VanDerWaalsContact C-N 3.29Å; A449-R451 PolarHBondContact O-N 3.04Å
450	A	82.6	Confident	67.8	Low	1 Å²	1	57.7 Å²	57.7	1%	0.008	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-8.8	176.3	0	0	0	0	0	114.8	L262 S263 W266 A446 L447 H448 F601	L262-A450 HydrophobicContact CD2-CB 4.17Å; S263-A450 WeakPolarHBondContact CB-O 3.33Å; S263-A450 PolarHBondContact N-O 3.38Å; W266-A450 HydrophobicContact CD2-CB 4.48Å; W266-A450 HydrophobicContact CG-CB 3.98Å; A446-A450 WeakPolarHBondContact O-CB 3.48Å; A446-A450 PolarHBondContact O-N 2.84Å; L447-A450 WeakPolarHBondContact O-CB 3.46Å; L447-A450 PolarHBondContact O-N 2.96Å; H448-A450 PolarHBondContact O-N 2.87Å; A450-F601 HydrophobicContact CB-CE2 3.72Å; A450-F601 HydrophobicContact CB-CZ 3.59Å
451	R	83.8	Confident	65.4	Low	121 Å²	121	65.9 Å²	65.9	46%	0.457	35%	0.351	S	S	.	.	S	Bend	trans	-76.5	153	-176	-67.8	-176.8	172.7	177.1	-1.5	113.7	H448 A449 G453 Y454	H448-R451 WeakPolarHBondContact O-CB 3.35Å; H448-R451 PolarHBondContact O-N 3.36Å; H448-R451 VanDerWaalsContact O-N 3.13Å; A449-R451 VanDerWaalsContact C-N 3.29Å; A449-R451 PolarHBondContact O-N 3.04Å; R451-G453 PolarHBondContact O-N 2.91Å; R451-Y454 PolarHBondContact O-N 3.01Å
452	P	70.9	Confident	62.7	Low	48 Å²	48	69.1 Å²	69.1	31%	0.312	38%	0.375	S	S	.	.	H	α-helix	trans	-55.8	-43.5	-173.3	-26.1	33	0	0	0	115.2	E261 Y454	E261-P452 HydrophobicContact CB-CG 4.11Å; P452-Y454 PolarHBondContact O-N 3.1Å
453	G	57.5	Low	60	Low	56 Å²	56	73.8 Å²	73.8	58%	0.577	41%	0.405	S	S	*	.	H	α-helix	trans	-68.4	-13.6	-172.8	0	0	0	0	0	115.6	R451	R451-G453 PolarHBondContact O-N 2.91Å
454	Y	52.8	Low	57.2	Low	45 Å²	45	79.4 Å²	79.4	18%	0.176	44%	0.439	C	S	.	.	H	α-helix	trans	-86.4	-41.5	-174.6	-142.7	-100.1	0	0	0	112.3	R451 P452 S456 K457 E518	R451-Y454 PolarHBondContact O-N 3.01Å; P452-Y454 PolarHBondContact O-N 3.1Å; Y454-S456 VanDerWaalsContact C-N 3.31Å; Y454-S456 PolarHBondContact O-N 3.45Å; Y454-K457 PolarHBondContact O-N 3Å; Y454-E518 HydrophobicContact CE2-CB 3.97Å
455	V	49.3	Very low	54.6	Low	68 Å²	68	86.1 Å²	86.1	41%	0.412	47%	0.474	S	S	.	.	H	α-helix	trans	-61.6	-38.2	-177.5	-175.5	0	0	0	0	111.8	K457 S458	V455-K457 VanDerWaalsContact C-N 3.28Å; V455-K457 PolarHBondContact O-N 2.66Å; V455-S458 PolarHBondContact O-N 2.93Å
456	S	41.7	Very low	51.8	Low	83 Å²	83	89.8 Å²	89.8	58%	0.58	50%	0.502	S	S	*	.	H	α-helix	trans	-70.9	-14.6	-179.8	-54.8	0	0	0	0	115	Y454	Y454-S456 VanDerWaalsContact C-N 3.31Å; Y454-S456 PolarHBondContact O-N 3.45Å
457	K	39.7	Very low	49.2	Very low	112 Å²	112	98.2 Å²	98.2	49%	0.487	54%	0.54	S	S	.	.	H	α-helix	trans	-84.2	-41.1	173.9	-72.3	-174.8	179.6	-179.9	0	112	Y454 V455 Q459 K460 E518	Y454-K457 PolarHBondContact O-N 3Å; V455-K457 VanDerWaalsContact C-N 3.28Å; V455-K457 PolarHBondContact O-N 2.66Å; K457-Q459 VanDerWaalsContact C-N 3.33Å; K457-Q459 PolarHBondContact O-N 3.27Å; K457-K460 PolarHBondContact O-N 3.37Å; K457-E518 IonicContact NZ-OE1 2.73Å; K457-E518 PolarHBondContact NZ-OE1 2.91Å; K457-E518 IonicContact NZ-OE2 3.75Å; K457-E518 PolarHBondContact NZ-OE2 3.38Å
458	S	37.2	Very low	46.5	Very low	99 Å²	99	107 Å²	107	69%	0.692	58%	0.581	S	S	*	*	H	α-helix	trans	-63.2	-34.7	-175.5	-170	0	0	0	0	113.3	V455 K460	V455-S458 PolarHBondContact O-N 2.93Å; S458-K460 VanDerWaalsContact C-N 3.26Å; S458-K460 PolarHBondContact O-N 3.42Å
459	Q	36.8	Very low	43.9	Very low	164 Å²	164	114.1 Å²	114.1	77%	0.766	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-4.8	178.1	-76.1	-176	-25	0	0	115.3	K457	K457-Q459 VanDerWaalsContact C-N 3.33Å; K457-Q459 PolarHBondContact O-N 3.27Å
460	K	33.9	Very low	41.2	Very low	182 Å²	182	117.3 Å²	117.3	79%	0.791	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	3.9	-179.9	-75.3	-172.5	176.4	-179.5	0	114.8	K457 S458	K457-K460 PolarHBondContact O-N 3.37Å; S458-K460 VanDerWaalsContact C-N 3.26Å; S458-K460 PolarHBondContact O-N 3.42Å
461	Q	34.2	Very low	38.6	Very low	172 Å²	172	126.6 Å²	126.6	80%	0.804	68%	0.678	S	S	*	*	S	Bend	trans	-118.5	51	-176.8	-68.6	-169.1	-7.2	0	0	114.8
462	T	25.3	Very low	35.8	Very low	117 Å²	117	124.9 Å²	124.9	72%	0.718	70%	0.697	S	S	*	*			trans	-156.6	96.6	157.2	20.5	0	0	0	0	112.9
463	P	27.4	Very low	33.6	Very low	120 Å²	120	126.3 Å²	126.3	78%	0.779	72%	0.721	S	S	*	*			trans	-94.1	95.4	157.4	32.8	-25.1	0	0	0	109.3	L465	P463-L465 PolarHBondContact O-N 3.18Å
464	V	29.3	Very low	32.1	Very low	119 Å²	119	130.8 Å²	130.8	72%	0.721	73%	0.732	S	S	*	*			trans	-80.8	109.3	169.9	-180	0	0	0	0	108.8	C466	V464-C466 PolarHBondContact O-N 2.83Å
465	L	29.5	Very low	31	Very low	157 Å²	157	135.7 Å²	135.7	82%	0.822	76%	0.76	S	S	*	*			trans	-68.6	104.6	172.1	-80.9	148.4	0	0	0	110.3	P463 H467	P463-L465 PolarHBondContact O-N 3.18Å; L465-H467 PolarHBondContact O-N 2.75Å
466	C	24.9	Very low	30	Very low	120 Å²	120	138 Å²	138	81%	0.811	77%	0.77	S	S	*	*			trans	-85.1	105.6	165.2	-77.8	0	0	0	0	110.2	V464	V464-C466 PolarHBondContact O-N 2.83Å
467	H	28.5	Very low	29.4	Very low	182 Å²	182	141.9 Å²	141.9	84%	0.843	78%	0.779	S	S	*	*			trans	-65.7	134.2	167.1	-97.2	-77.4	0	0	0	110.8	L465	L465-H467 PolarHBondContact O-N 2.75Å
468	Q	27.8	Very low	28.6	Very low	192 Å²	192	141.7 Å²	141.7	90%	0.897	79%	0.791	S	S	*	*			trans	-74	132.1	165.8	-69.9	175.8	-16.1	0	0	110.4
469	Q	27.8	Very low	29	Very low	202 Å²	202	142.1 Å²	142.1	94%	0.944	79%	0.792	S	S	*	*			trans	-145.2	155.1	146.9	-111	176	8.5	0	0	109.6
470	S	24.4	Very low	28.6	Very low	104 Å²	104	139.6 Å²	139.6	73%	0.727	79%	0.788	S	S	*	*			trans	-108.8	-173.7	-154.2	61.1	0	0	0	0	114.5
471	Q	27.7	Very low	28.2	Very low	196 Å²	196	140.1 Å²	140.1	92%	0.916	79%	0.793	S	S	*	*			trans	95	128.5	-179.5	-54.8	174.1	26	0	0	113.4
472	G	24.2	Very low	27.8	Very low	84 Å²	84	135.7 Å²	135.7	87%	0.866	79%	0.793	S	S	*	*			cis	157.2	151.3	-5	0	0	0	0	0	110.6
473	G	25.3	Very low	27.8	Very low	78 Å²	78	138.4 Å²	138.4	80%	0.804	80%	0.802	S	S	*	*			trans	110.7	66.8	168	0	0	0	0	0	118.1
474	D	26.5	Very low	28.3	Very low	151 Å²	151	138.6 Å²	138.6	81%	0.807	80%	0.804	S	S	*	*				37.2	147.2	116.9	-108.5	-27.1	0	0	0	124.4
475	L	30.1	Very low	28.1	Very low	147 Å²	147	136.2 Å²	136.2	77%	0.77	80%	0.803	S	S	*	*			trans	75	144.6	155.9	-60.3	161.5	0	0	0	120
476	N	27.9	Very low	28	Very low	117 Å²	117	138.1 Å²	138.1	63%	0.626	81%	0.807	S	S	*	*			cis	-168.5	172.7	-28.1	-149.5	-4.1	0	0	0	110.9
477	H	28.5	Very low	28	Very low	165 Å²	165	137.5 Å²	137.5	76%	0.764	80%	0.804	S	S	*	*			trans	78.2	115.4	160.6	-64.7	-62.8	0	0	0	122.4
478	S	22.5	Very low	28.3	Very low	107 Å²	107	134.5 Å²	134.5	75%	0.748	80%	0.801	S	S	*	*			trans	-97.2	-160.3	154.8	58.3	0	0	0	0	109.5
479	P	47.5	Very low	28.1	Very low	108 Å²	108	131.1 Å²	131.1	70%	0.701	79%	0.793	S	S	*	*			cis	-135.4	-168.1	-18.8	23.8	1.5	0	0	0	114
480	V	27.5	Very low	28	Very low	112 Å²	112	128.2 Å²	128.2	68%	0.679	79%	0.79	S	S	*	*			trans	135.3	106.7	132.2	177.4	0	0	0	0	118.2
481	Q	26.2	Very low	28	Very low	192 Å²	192	132.1 Å²	132.1	90%	0.897	80%	0.796	S	S	*	*			trans	50.4	135	136.2	-60	172.7	-25.7	0	0	125.2
482	G	25.5	Very low	27.8	Very low	79 Å²	79	127.6 Å²	127.6	81%	0.814	79%	0.787	S	S	*	*			trans	175.4	103.8	156.9	0	0	0	0	0	114.4
483	L	24.1	Very low	27.9	Very low	174 Å²	174	130 Å²	130	91%	0.911	79%	0.787	S	S	*	*			trans	-131	171.8	173	-91.1	166.9	0	0	0	108
484	P	38.2	Very low	27.9	Very low	125 Å²	125	132.5 Å²	132.5	81%	0.812	79%	0.786	S	S	*	*			cis	-135.5	-179.2	9.3	40.4	-22	0	0	0	116.2
485	G	24.6	Very low	27.7	Very low	69 Å²	69	129.4 Å²	129.4	71%	0.711	78%	0.782	S	S	*	*			trans	171.6	78.3	167.3	0	0	0	0	0	118.6
486	H	28	Very low	27.4	Very low	196 Å²	196	128.3 Å²	128.3	91%	0.907	79%	0.785	S	S	*	*			trans	23.1	133.6	161	-67.1	-79.8	0	0	0	124.9
487	S	25.7	Very low	27.2	Very low	107 Å²	107	129.8 Å²	129.8	75%	0.748	79%	0.793	S	S	*	*			trans	-80.5	178.2	177.4	-21.2	0	0	0	0	114.3
488	P	33.7	Very low	27.1	Very low	120 Å²	120	130 Å²	130	78%	0.779	80%	0.8	S	S	*	*			cis	-137.1	132.2	44.6	36.2	-15.4	0	0	0	119.2
489	V	25	Very low	27.2	Very low	120 Å²	120	131.6 Å²	131.6	73%	0.727	80%	0.804	S	S	*	*			trans	24.5	118	134.8	-167.3	0	0	0	0	120.2	E491	V489-E491 HydrophobicContact CG1-CG 4.14Å
490	T	24.5	Very low	26.1	Very low	142 Å²	142	136.5 Å²	136.5	87%	0.871	82%	0.815	S	S	*	*			trans	-133.8	121.8	143.5	-3.8	0	0	0	0	107.9
491	E	24.6	Very low	26	Very low	185 Å²	185	135 Å²	135	86%	0.864	82%	0.821	S	S	*	*			trans	-81.6	139.9	-179.4	-68.8	-173.3	149.5	0	0	111.8	V489	V489-E491 HydrophobicContact CG1-CG 4.14Å
492	S	23.2	Very low	25.8	Very low	102 Å²	102	129.4 Å²	129.4	71%	0.713	82%	0.816	S	S	*	*			trans	-133.6	140.3	169.4	54	0	0	0	0	108.9
493	P	27.2	Very low	25.7	Very low	133 Å²	133	133.8 Å²	133.8	86%	0.864	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-74.9	138.2	-172.9	28.8	-33.7	0	0	0	111.9
494	V	24.8	Very low	26.1	Very low	131 Å²	131	131.2 Å²	131.2	79%	0.794	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-73	127.1	-172.6	175.5	0	0	0	0	111.8
495	A	23.2	Very low	25.4	Very low	86 Å²	86	128.3 Å²	128.3	71%	0.711	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-87.2	117.9	166.9	0	0	0	0	0	110.7	N497	A495-N497 PolarHBondContact O-N 3.28Å
496	C	23.1	Very low	25.8	Very low	125 Å²	125	130.8 Å²	130.8	85%	0.845	82%	0.817	S	S	*	*			trans	-86.1	89.6	175.4	-71.5	0	0	0	0	111.4
497	N	24.4	Very low	25.6	Very low	148 Å²	148	129.2 Å²	129.2	79%	0.791	81%	0.814	S	S	*	*			trans	-78.1	131.9	163.8	-83.9	-27.2	0	0	0	110.5	A495	A495-N497 PolarHBondContact O-N 3.28Å
498	N	24.8	Very low	25.6	Very low	169 Å²	169	133.4 Å²	133.4	90%	0.904	82%	0.819	S	S	*	*			trans	-159.9	94.9	150.7	-102.6	-27.5	0	0	0	110.9
499	V	25.8	Very low	25.3	Very low	140 Å²	140	135.2 Å²	135.2	85%	0.848	82%	0.817	S	S	*	*			trans	-133.5	119.8	161.1	179.8	0	0	0	0	107.7
500	K	23.9	Very low	25.3	Very low	212 Å²	212	138.2 Å²	138.2	92%	0.922	82%	0.822	S	S	*	*			trans	-111.6	126.5	156	-90.7	-174.3	172.6	-179.3	0	106.9
501	G	25.2	Very low	25.6	Very low	79 Å²	79	137.9 Å²	137.9	81%	0.814	82%	0.815	S	S	*	*			trans	-75.5	160.4	-175.9	0	0	0	0	0	113.5
502	G	22.6	Very low	25.9	Very low	76 Å²	76	133 Å²	133	78%	0.784	80%	0.801	S	S	*	*			trans	-177.8	90.3	176.9	0	0	0	0	0	112.4
503	D	23.7	Very low	26.8	Very low	170 Å²	170	132 Å²	132	91%	0.909	79%	0.787	S	S	*	*			trans	58.3	161.8	157.8	-78.6	-21.9	0	0	0	123.3
504	S	32.6	Very low	27.5	Very low	120 Å²	120	129.2 Å²	129.2	84%	0.839	77%	0.77	S	S	*	*			trans	-80.2	128.1	-163.5	46.4	0	0	0	0	114.2
505	G	22.7	Very low	28.2	Very low	64 Å²	64	130.8 Å²	130.8	66%	0.66	77%	0.768	S	S	*	*			trans	-151.6	117	169.5	0	0	0	0	0	110.9	L507	G505-L507 PolarHBondContact O-N 2.9Å
506	S	33	Very low	29.4	Very low	122 Å²	122	131.1 Å²	131.1	85%	0.853	75%	0.754	S	S	*	*			trans	-67.5	102.1	178.8	176.9	0	0	0	0	111.1
507	L	24.6	Very low	30.2	Very low	163 Å²	163	135.6 Å²	135.6	85%	0.853	76%	0.76	S	S	*	*			trans	-104.1	117.6	170.1	-77.6	163.7	0	0	0	109.1	G505 H509	G505-L507 PolarHBondContact O-N 2.9Å; L507-H509 PolarHBondContact O-N 3.4Å
508	K	25.2	Very low	31.2	Very low	194 Å²	194	133.6 Å²	133.6	84%	0.843	75%	0.745	S	S	*	*			trans	-67.6	127.5	179.4	-68	178.8	176.2	-180	0	110	Q510	K508-Q510 PolarHBondContact O-N 3.47Å
509	H	26.8	Very low	32.3	Very low	159 Å²	159	127 Å²	127	74%	0.736	71%	0.708	S	S	*	*			trans	-56.5	132.1	165.5	-103	-108.6	0	0	0	110.4	L507 D511	L507-H509 PolarHBondContact O-N 3.4Å; H509-D511 IonicContact CE1-OD1 3.55Å; H509-D511 IonicContact CG-OD1 3.94Å; H509-D511 IonicContact ND1-OD1 3.3Å; H509-D511 PolarHBondContact ND1-OD1 3.49Å
510	Q	25.5	Very low	33.8	Very low	182 Å²	182	123.3 Å²	123.3	85%	0.85	68%	0.684	S	S	*	*			trans	-107.7	86.9	162.9	-81.7	-171.5	-26.3	0	0	108.4	K508 S512	K508-Q510 PolarHBondContact O-N 3.47Å; Q510-S512 VanDerWaalsContact C-N 3.34Å; Q510-S512 PolarHBondContact O-N 2.84Å; Q510-S512 VanDerWaalsContact O-N 3.09Å
511	D	30.4	Very low	35.3	Very low	135 Å²	135	117.3 Å²	117.3	72%	0.722	66%	0.659	S	S	*	*			trans	-80	83.4	172.6	-57.1	-39	0	0	0	108.3	H509	H509-D511 IonicContact CE1-OD1 3.55Å; H509-D511 IonicContact CG-OD1 3.94Å; H509-D511 IonicContact ND1-OD1 3.3Å; H509-D511 PolarHBondContact ND1-OD1 3.49Å
512	S	32	Very low	36.8	Very low	82 Å²	82	119.2 Å²	119.2	57%	0.573	65%	0.646	S	S	*	*			trans	-143.6	122.9	-177.7	-57.9	0	0	0	0	112.2	Q510	Q510-S512 VanDerWaalsContact C-N 3.34Å; Q510-S512 PolarHBondContact O-N 2.84Å; Q510-S512 VanDerWaalsContact O-N 3.09Å
513	I	42.6	Very low	38.8	Very low	82 Å²	82	119.6 Å²	119.6	42%	0.421	63%	0.628	S	S	.	*			trans	-53.5	128.4	159.7	-60.4	170.1	0	0	0	106.3	H515	I513-H515 PolarHBondContact O-N 3.46Å
514	P	40.7	Very low	41.1	Very low	75 Å²	75	111.9 Å²	111.9	49%	0.487	59%	0.586	S	S	.	*			trans	-72.1	112.4	-168.9	29.8	-36.2	0	0	0	110.2	H516	P514-H516 PolarHBondContact O-CD2 3.23Å; P514-H516 VanDerWaalsContact O-CD2 3.28Å; P514-H516 PolarHBondContact O-N 2.99Å
515	H	40.5	Very low	43.1	Very low	164 Å²	164	108.9 Å²	108.9	76%	0.759	56%	0.561	S	S	*	*			trans	-61.7	124.6	178	-67.2	-76.4	0	0	0	110.4	I513	I513-H515 PolarHBondContact O-N 3.46Å
516	H	47.5	Very low	45.7	Very low	92 Å²	92	111 Å²	111	43%	0.426	55%	0.549	S	S	.	.			trans	-138.7	124.7	-163.1	-79.8	-17.5	0	0	0	114.2	P514 E518 Y519	P514-H516 PolarHBondContact O-CD2 3.23Å; P514-H516 VanDerWaalsContact O-CD2 3.28Å; P514-H516 PolarHBondContact O-N 2.99Å; H516-E518 VanDerWaalsContact C-N 3.3Å; H516-E518 PolarHBondContact O-N 3.29Å; H516-Y519 PolarHBondContact O-N 3.22Å
517	K	40.3	Very low	47.6	Very low	220 Å²	220	105.7 Å²	105.7	96%	0.957	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	1.1	-170.8	-67.7	-177.4	173.3	-178.5	0	116.8
518	E	45.4	Very low	50.1	Low	105 Å²	105	100.2 Å²	100.2	49%	0.491	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-8.1	177.5	-69.5	-164.6	161.3	0	0	113.6	Y454 K457 H516	Y454-E518 HydrophobicContact CE2-CB 3.97Å; K457-E518 IonicContact NZ-OE1 2.73Å; K457-E518 PolarHBondContact NZ-OE1 2.91Å; K457-E518 IonicContact NZ-OE2 3.75Å; K457-E518 PolarHBondContact NZ-OE2 3.38Å; H516-E518 VanDerWaalsContact C-N 3.3Å; H516-E518 PolarHBondContact O-N 3.29Å
519	Y	47.1	Very low	52.8	Low	30 Å²	30	92.1 Å²	92.1	12%	0.118	45%	0.449	C	S	.	.	S	Bend	trans	-87.5	124.5	168.3	-171.6	-98.7	0	0	0	109	L445 H448 H516 E521	L445-Y519 HydrophobicContact CD2-CD1 3.25Å; L445-Y519 HydrophobicContact CD2-CD2 4.18Å; L445-Y519 HydrophobicContact CD2-CE1 3.57Å; L445-Y519 HydrophobicContact CD2-CE2 4.45Å; L445-Y519 HydrophobicContact CD2-CG 3.58Å; L445-Y519 HydrophobicContact CG-CD1 4.21Å; L445-Y519 HydrophobicContact CG-CE1 4.03Å; H448-Y519 HydrophobicContact CB-CD2 3.79Å; H448-Y519 HydrophobicContact CB-CE2 3.8Å; H448-Y519 AromaticContact CG-CD2 3.55Å; H448-Y519 AromaticContact CG-CE2 3.92Å; H448-Y519 AromaticContact ND1-CD2 3.62Å; H448-Y519 AromaticContact ND1-CE2 3.88Å; H516-Y519 PolarHBondContact O-N 3.22Å; Y519-E521 VanDerWaalsContact C-N 3.32Å; Y519-E521 HydrophobicContact CD1-CB 4.39Å; Y519-E521 HydrophobicContact CD1-CG 3.93Å; Y519-E521 PolarHBondContact O-N 3.38Å
520	D	58.7	Low	55.6	Low	63 Å²	63	87 Å²	87	34%	0.337	43%	0.427	S	S	.	.			trans	-73.6	90	168.4	-175.4	13.7	0	0	0	107.5	E522 E523 R526	D520-E522 PolarHBondContact O-N 3.36Å; D520-E522 VanDerWaalsContact O-N 3.08Å; D520-E522 WeakPolarHBondContact OD1-CB 3.3Å; D520-E522 PolarHBondContact OD1-N 3.04Å; D520-E523 HydrophobicContact CB-CB 4.1Å; D520-E523 WeakPolarHBondContact O-CB 3.43Å; D520-E523 PolarHBondContact O-N 3.48Å; D520-R526 IonicContact OD1-CZ 3.46Å; D520-R526 IonicContact OD1-NH1 2.97Å; D520-R526 IonicContact OD1-NH2 3.17Å; D520-R526 PolarHBondContact OD1-NH2 3.35Å; D520-R526 IonicContact OD2-CZ 3.6Å; D520-R526 IonicContact OD2-NH1 2.7Å; D520-R526 PolarHBondContact OD2-NH1 3.37Å; D520-R526 IonicContact OD2-NH2 2.72Å; D520-R526 PolarHBondContact OD2-NH2 3.1Å; D520-R526 VanDerWaalsContact OD2-NH2 3.14Å
521	E	53.5	Low	58.6	Low	87 Å²	87	78.4 Å²	78.4	41%	0.407	39%	0.386	S	S	.	.	H	α-helix	trans	-55.1	-25.9	178.1	-74.8	-171.1	-172.8	0	0	111.9	Y519	Y519-E521 VanDerWaalsContact C-N 3.32Å; Y519-E521 HydrophobicContact CD1-CB 4.39Å; Y519-E521 HydrophobicContact CD1-CG 3.93Å; Y519-E521 PolarHBondContact O-N 3.38Å
522	E	56.8	Low	61.2	Low	118 Å²	118	73.7 Å²	73.7	55%	0.551	37%	0.366	S	S	*	.	H	α-helix	trans	-79.1	-13.1	174.5	-52.9	179.3	178.7	0	0	113.6	D520 W524 D525 R526	D520-E522 PolarHBondContact O-N 3.36Å; D520-E522 VanDerWaalsContact O-N 3.08Å; D520-E522 WeakPolarHBondContact OD1-CB 3.3Å; D520-E522 PolarHBondContact OD1-N 3.04Å; E522-W524 PolarHBondContact O-N 3.18Å; E522-D525 PolarHBondContact O-N 2.89Å; E522-R526 VanDerWaalsContact O-CB 3.27Å; E522-R526 WeakPolarHBondContact O-CB 3.27Å; E522-R526 WeakPolarHBondContact O-CD 3.3Å; E522-R526 WeakPolarHBondContact O-CG 3.39Å; E522-R526 PolarHBondContact O-N 3.16Å; E522-R526 IonicContact OE2-CZ 3.41Å; E522-R526 IonicContact OE2-NE 2.64Å; E522-R526 PolarHBondContact OE2-NE 3.09Å; E522-R526 IonicContact OE2-NH2 2.9Å; E522-R526 PolarHBondContact OE2-NH2 2.94Å
523	E	65.6	Low	63.9	Low	85 Å²	85	75.4 Å²	75.4	40%	0.397	36%	0.363	S	S	.	.	H	α-helix	trans	-61.6	-47.8	179.9	-165.5	-152.5	128.7	0	0	110.4	D520 R526 V527 K594	D520-E523 HydrophobicContact CB-CB 4.1Å; D520-E523 WeakPolarHBondContact O-CB 3.43Å; D520-E523 PolarHBondContact O-N 3.48Å; E523-R526 PolarHBondContact O-N 3.29Å; E523-V527 WeakPolarHBondContact O-CB 3.31Å; E523-V527 WeakPolarHBondContact O-CG2 3.42Å; E523-V527 PolarHBondContact O-N 3.38Å; E523-K594 IonicContact OE1-NZ 2.75Å; E523-K594 PolarHBondContact OE1-NZ 3.08Å
524	W	72.1	Confident	66.2	Low	8 Å²	8	72.4 Å²	72.4	3%	0.03	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-45.1	175.5	177.9	-119.9	0	0	0	111.6	L435 V440 L444 E522 R526 V527 W528 V591 K594 A595	L435-W524 HydrophobicContact CB-CZ2 4.44Å; V440-W524 HydrophobicContact CG1-CH2 4.34Å; V440-W524 HydrophobicContact CG1-CZ2 3.64Å; L444-W524 HydrophobicContact CD1-CB 4.18Å; L444-W524 HydrophobicContact CD1-CD2 3.25Å; L444-W524 HydrophobicContact CD1-CE3 3.55Å; L444-W524 HydrophobicContact CD1-CG 3.55Å; L444-W524 HydrophobicContact CD1-CH2 4.32Å; L444-W524 HydrophobicContact CD1-CZ2 4.09Å; L444-W524 HydrophobicContact CD1-CZ3 4.09Å; E522-W524 PolarHBondContact O-N 3.18Å; W524-R526 VanDerWaalsContact C-N 3.28Å; W524-R526 PolarHBondContact O-N 3.2Å; W524-V527 HydrophobicContact CE3-CB 4.4Å; W524-V527 HydrophobicContact CE3-CG1 4.34Å; W524-V527 HydrophobicContact CZ3-CG1 4.28Å; W524-V527 PolarHBondContact O-N 3.42Å; W524-W528 AromaticContact CD1-CD1 3.9Å; W524-W528 AromaticContact CE2-CD1 3.76Å; W524-W528 AromaticContact NE1-CD1 3.63Å; W524-W528 PolarHBondContact O-N 2.89Å; W524-W528 VanDerWaalsContact O-N 3.13Å; W524-V591 HydrophobicContact CH2-CG1 4.01Å; W524-K594 HydrophobicContact CE3-CB 4.38Å; W524-K594 HydrophobicContact CE3-CD 4.37Å; W524-K594 HydrophobicContact CZ3-CB 3.74Å; W524-K594 HydrophobicContact CZ3-CD 4.37Å; W524-A595 HydrophobicContact CH2-CB 4.32Å
525	D	74.6	Confident	68.7	Low	56 Å²	56	69.2 Å²	69.2	30%	0.299	33%	0.328	S	S	.	.	H	α-helix	trans	-66.6	-29.3	-178.9	-68.3	-33	0	0	0	112.3	K441 E522 W528 A529	K441-D525 IonicContact NZ-OD2 2.89Å; K441-D525 PolarHBondContact NZ-OD2 2.93Å; E522-D525 PolarHBondContact O-N 2.89Å; D525-W528 PolarHBondContact OD1-NE1 3.11Å; D525-A529 WeakPolarHBondContact O-CB 3.22Å; D525-A529 PolarHBondContact O-N 3.35Å
526	R	76.8	Confident	71.1	Confident	110 Å²	110	66.2 Å²	66.2	42%	0.415	32%	0.318	S	S	.	.	H	α-helix	trans	-70.9	-41.1	168.1	-69.3	165	-155.1	160.6	10.3	111.9	D520 E522 E523 W524 A529 N530	D520-R526 IonicContact OD1-CZ 3.46Å; D520-R526 IonicContact OD1-NH1 2.97Å; D520-R526 IonicContact OD1-NH2 3.17Å; D520-R526 PolarHBondContact OD1-NH2 3.35Å; D520-R526 IonicContact OD2-CZ 3.6Å; D520-R526 IonicContact OD2-NH1 2.7Å; D520-R526 PolarHBondContact OD2-NH1 3.37Å; D520-R526 IonicContact OD2-NH2 2.72Å; D520-R526 PolarHBondContact OD2-NH2 3.1Å; D520-R526 VanDerWaalsContact OD2-NH2 3.14Å; E522-R526 VanDerWaalsContact O-CB 3.27Å; E522-R526 WeakPolarHBondContact O-CB 3.27Å; E522-R526 WeakPolarHBondContact O-CD 3.3Å; E522-R526 WeakPolarHBondContact O-CG 3.39Å; E522-R526 PolarHBondContact O-N 3.16Å; E522-R526 IonicContact OE2-CZ 3.41Å; E522-R526 IonicContact OE2-NE 2.64Å; E522-R526 PolarHBondContact OE2-NE 3.09Å; E522-R526 IonicContact OE2-NH2 2.9Å; E522-R526 PolarHBondContact OE2-NH2 2.94Å; E523-R526 PolarHBondContact O-N 3.29Å; W524-R526 VanDerWaalsContact C-N 3.28Å; W524-R526 PolarHBondContact O-N 3.2Å; R526-A529 PolarHBondContact O-N 2.87Å; R526-N530 PolarHBondContact O-N 2.69Å; R526-N530 PolarHBondContact O-ND2 3.06Å; R526-N530 PolarHBondContact O-OD1 2.95Å
527	V	72.5	Confident	73.3	Confident	10 Å²	10	64.9 Å²	64.9	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-65.9	-49.8	-173.9	168.8	0	0	0	0	111.9	E523 W524 N530 E590 V591 K594	E523-V527 WeakPolarHBondContact O-CB 3.31Å; E523-V527 WeakPolarHBondContact O-CG2 3.42Å; E523-V527 PolarHBondContact O-N 3.38Å; W524-V527 HydrophobicContact CE3-CB 4.4Å; W524-V527 HydrophobicContact CE3-CG1 4.34Å; W524-V527 HydrophobicContact CZ3-CG1 4.28Å; W524-V527 PolarHBondContact O-N 3.42Å; V527-N530 WeakPolarHBondContact O-CB 3.43Å; V527-N530 PolarHBondContact O-N 2.84Å; V527-E590 HydrophobicContact CG1-CG 4.44Å; V527-V591 HydrophobicContact CG1-CG2 3.69Å; V527-K594 HydrophobicContact CG1-CD 4.21Å; V527-K594 VanDerWaalsContact CG2-NZ 3.26Å
528	W	77.3	Confident	75.8	Confident	47 Å²	47	54.4 Å²	54.4	18%	0.178	27%	0.273	C	S	.	.	H	α-helix	trans	-75.8	-28.3	175.3	71.8	-101.7	0	0	0	112.7	V432 K436 W524 D525 N530 V531 V591	V432-W528 HydrophobicContact CG1-CE3 3.69Å; V432-W528 HydrophobicContact CG1-CZ3 3.92Å; K436-W528 HydrophobicContact CD-CH2 4.47Å; K436-W528 HydrophobicContact CG-CZ2 4.4Å; W524-W528 AromaticContact CD1-CD1 3.9Å; W524-W528 AromaticContact CE2-CD1 3.76Å; W524-W528 AromaticContact NE1-CD1 3.63Å; W524-W528 PolarHBondContact O-N 2.89Å; W524-W528 VanDerWaalsContact O-N 3.13Å; D525-W528 PolarHBondContact OD1-NE1 3.11Å; W528-N530 PolarHBondContact O-N 2.97Å; W528-V531 WeakPolarHBondContact O-CB 3.48Å; W528-V531 PolarHBondContact O-N 2.93Å; W528-V531 VanDerWaalsContact O-N 3.09Å; W528-V591 HydrophobicContact CB-CG1 4.45Å; W528-V591 HydrophobicContact CB-CG2 4.13Å
529	A	82	Confident	78.1	Confident	25 Å²	25	51.4 Å²	51.4	21%	0.207	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-24.6	171.2	0	0	0	0	0	113.1	D525 R526 V531 A532 K533	D525-A529 WeakPolarHBondContact O-CB 3.22Å; D525-A529 PolarHBondContact O-N 3.35Å; R526-A529 PolarHBondContact O-N 2.87Å; A529-V531 VanDerWaalsContact C-N 3.31Å; A529-V531 PolarHBondContact O-N 2.92Å; A529-A532 PolarHBondContact O-N 3.04Å; A529-K533 WeakPolarHBondContact O-CG 3.4Å; A529-K533 PolarHBondContact O-N 2.75Å
530	N	85.3	Confident	80.2	Confident	52 Å²	52	52.9 Å²	52.9	28%	0.278	28%	0.278	S	S	.	.	H	α-helix	trans	-66.8	-30.7	172.8	-69.6	-24.5	0	0	0	112.4	R526 V527 W528 K533 C534	R526-N530 PolarHBondContact O-N 2.69Å; R526-N530 PolarHBondContact O-ND2 3.06Å; R526-N530 PolarHBondContact O-OD1 2.95Å; V527-N530 WeakPolarHBondContact O-CB 3.43Å; V527-N530 PolarHBondContact O-N 2.84Å; W528-N530 PolarHBondContact O-N 2.97Å; N530-K533 PolarHBondContact O-N 2.96Å; N530-C534 WeakPolarHBondContact O-CB 3.44Å; N530-C534 PolarHBondContact O-N 3.27Å; N530-C534 PolarHBondContact O-SG 3.16Å
531	V	88.2	Confident	81.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-48.5	172.2	176.6	0	0	0	0	110.3	T428 V432 W528 A529 K533 C534 L535 L584 C587 V588 V591	T428-V531 HydrophobicContact CG2-CG1 3.57Å; V432-V531 HydrophobicContact CG2-CG1 4.3Å; W528-V531 WeakPolarHBondContact O-CB 3.48Å; W528-V531 PolarHBondContact O-N 2.93Å; W528-V531 VanDerWaalsContact O-N 3.09Å; A529-V531 VanDerWaalsContact C-N 3.31Å; A529-V531 PolarHBondContact O-N 2.92Å; V531-K533 VanDerWaalsContact C-N 3.35Å; V531-K533 PolarHBondContact O-N 3.5Å; V531-C534 PolarHBondContact O-N 2.86Å; V531-L535 WeakPolarHBondContact O-CB 3.12Å; V531-L535 PolarHBondContact O-N 3.4Å; V531-L584 HydrophobicContact CG1-CD1 4.03Å; V531-C587 HydrophobicContact CG2-CB 3.87Å; V531-V588 HydrophobicContact CG1-CG2 3.83Å; V531-V588 HydrophobicContact CG2-CG2 4.24Å; V531-V591 HydrophobicContact CG2-CB 4.43Å; V531-V591 HydrophobicContact CG2-CG2 3.76Å
532	A	86.4	Confident	83.6	Confident	36 Å²	36	47.7 Å²	47.7	30%	0.298	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-40.2	177.2	0	0	0	0	0	112.4	A529 L535 N536	A529-A532 PolarHBondContact O-N 3.04Å; A532-L535 PolarHBondContact O-N 3.41Å; A532-N536 WeakPolarHBondContact O-CB 3.44Å; A532-N536 VanDerWaalsContact O-CG 3.23Å; A532-N536 PolarHBondContact O-N 2.84Å; A532-N536 PolarHBondContact O-ND2 2.96Å
533	K	88	Confident	85.2	Confident	119 Å²	119	45.6 Å²	45.6	52%	0.517	24%	0.244	S	C	.	.	H	α-helix	trans	-62.3	-45.1	173.3	-70.1	170.4	-170	166	0	112	A529 N530 V531 N536 C537	A529-K533 WeakPolarHBondContact O-CG 3.4Å; A529-K533 PolarHBondContact O-N 2.75Å; N530-K533 PolarHBondContact O-N 2.96Å; V531-K533 VanDerWaalsContact C-N 3.35Å; V531-K533 PolarHBondContact O-N 3.5Å; K533-N536 PolarHBondContact O-N 3.2Å; K533-C537 PolarHBondContact O-N 2.83Å; K533-C537 PolarHBondContact O-SG 3.02Å
534	C	91.6	Very high	86.3	Confident	18 Å²	18	47.4 Å²	47.4	12%	0.122	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-40.9	179.4	-65.4	0	0	0	0	111.7	N530 V531 C537 V538 L584	N530-C534 WeakPolarHBondContact O-CB 3.44Å; N530-C534 PolarHBondContact O-N 3.27Å; N530-C534 PolarHBondContact O-SG 3.16Å; V531-C534 PolarHBondContact O-N 2.86Å; C534-C537 WeakPolarHBondContact O-CB 3.41Å; C534-C537 PolarHBondContact O-N 3.42Å; C534-V538 WeakPolarHBondContact O-CG2 3.27Å; C534-V538 PolarHBondContact O-N 3.4Å; C534-L584 HydrophobicContact CB-CB 4.08Å; C534-L584 HydrophobicContact CB-CD1 3.95Å
535	L	92.4	Very high	87	Confident	9 Å²	9	47.5 Å²	47.5	5%	0.047	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-47.6	173.2	-179.2	68	0	0	0	111.1	L424 T428 V531 A532 C537 V538 I539 L584	L424-L535 HydrophobicContact CG-CD1 4.34Å; T428-L535 HydrophobicContact CG2-CD2 3.93Å; V531-L535 WeakPolarHBondContact O-CB 3.12Å; V531-L535 PolarHBondContact O-N 3.4Å; A532-L535 PolarHBondContact O-N 3.41Å; L535-C537 VanDerWaalsContact C-N 3.3Å; L535-C537 PolarHBondContact O-N 2.79Å; L535-V538 WeakPolarHBondContact O-CB 3.36Å; L535-V538 PolarHBondContact O-N 3.49Å; L535-I539 HydrophobicContact CD1-CD1 4.46Å; L535-I539 HydrophobicContact CD2-CD1 4.49Å; L535-I539 HydrophobicContact CG-CD1 3.94Å; L535-I539 HydrophobicContact CG-CG1 4.49Å; L535-I539 WeakPolarHBondContact O-CG1 3.21Å; L535-I539 PolarHBondContact O-N 2.95Å; L535-L584 HydrophobicContact CB-CD1 4.32Å; L535-L584 HydrophobicContact CD1-CD2 4.33Å
536	N	92.1	Very high	87.5	Confident	100 Å²	100	45.5 Å²	45.5	54%	0.535	24%	0.241	S	C	.	.	H	α-helix	trans	-61.1	-36.3	176.7	-71.7	-19.5	0	0	0	112.8	A532 K533 A540	A532-N536 WeakPolarHBondContact O-CB 3.44Å; A532-N536 VanDerWaalsContact O-CG 3.23Å; A532-N536 PolarHBondContact O-N 2.84Å; A532-N536 PolarHBondContact O-ND2 2.96Å; K533-N536 PolarHBondContact O-N 3.2Å; N536-A540 WeakPolarHBondContact O-CB 3.49Å; N536-A540 PolarHBondContact O-N 3.28Å
537	C	93.1	Very high	87.7	Confident	65 Å²	65	46.8 Å²	46.8	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-65.7	-38.6	172.4	-68	0	0	0	0	112.4	K533 C534 L535 M541 L580	K533-C537 PolarHBondContact O-N 2.83Å; K533-C537 PolarHBondContact O-SG 3.02Å; C534-C537 WeakPolarHBondContact O-CB 3.41Å; C534-C537 PolarHBondContact O-N 3.42Å; L535-C537 VanDerWaalsContact C-N 3.3Å; L535-C537 PolarHBondContact O-N 2.79Å; C537-M541 WeakPolarHBondContact O-CB 3.33Å; C537-M541 PolarHBondContact O-N 3.21Å; C537-L580 HydrophobicContact CB-CD2 4.17Å
538	V	92.8	Very high	87.6	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-46.6	174.7	172	0	0	0	0	110.7	L405 L421 C534 L535 M541 V542 L580 V581 L584	L405-V538 HydrophobicContact CD2-CG1 3.45Å; L405-V538 VanDerWaalsContact CD2-CG1 3.45Å; L421-V538 HydrophobicContact CD1-CG1 3.95Å; C534-V538 WeakPolarHBondContact O-CG2 3.27Å; C534-V538 PolarHBondContact O-N 3.4Å; L535-V538 WeakPolarHBondContact O-CB 3.36Å; L535-V538 PolarHBondContact O-N 3.49Å; V538-M541 PolarHBondContact O-N 3.22Å; V538-V542 HydrophobicContact CG1-CG2 4.48Å; V538-V542 WeakPolarHBondContact O-CG2 3.38Å; V538-V542 PolarHBondContact O-N 2.98Å; V538-L580 HydrophobicContact CG2-CB 3.77Å; V538-V581 HydrophobicContact CG1-CG2 4.39Å; V538-V581 HydrophobicContact CG2-CG2 4.22Å; V538-L584 HydrophobicContact CG2-CD2 4.45Å
539	I	92.8	Very high	86.9	Confident	42 Å²	42	48.3 Å²	48.3	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-55.4	-55.6	175.4	-67.2	165.3	0	0	0	110.1	L421 L535 M541 V542 D543	L421-I539 HydrophobicContact CD1-CG1 3.81Å; L421-I539 HydrophobicContact CD2-CB 4.39Å; L421-I539 HydrophobicContact CD2-CG1 4.13Å; L421-I539 HydrophobicContact CD2-CG2 4.41Å; L421-I539 HydrophobicContact CG-CG1 4.25Å; L535-I539 HydrophobicContact CD1-CD1 4.46Å; L535-I539 HydrophobicContact CD2-CD1 4.49Å; L535-I539 HydrophobicContact CG-CD1 3.94Å; L535-I539 HydrophobicContact CG-CG1 4.49Å; L535-I539 WeakPolarHBondContact O-CG1 3.21Å; L535-I539 PolarHBondContact O-N 2.95Å; I539-M541 VanDerWaalsContact C-N 3.26Å; I539-M541 PolarHBondContact O-N 2.71Å; I539-V542 PolarHBondContact O-N 3.37Å; I539-V542 VanDerWaalsContact O-N 3.07Å; I539-D543 WeakPolarHBondContact CG2-OD2 3.21Å; I539-D543 PolarHBondContact O-N 3.28Å
540	A	91.9	Very high	85.7	Confident	60 Å²	60	53.7 Å²	53.7	50%	0.496	30%	0.297	S	S	.	.	H	α-helix	trans	-61.7	-30.8	-178.5	0	0	0	0	0	113.6	N536 K544	N536-A540 WeakPolarHBondContact O-CB 3.49Å; N536-A540 PolarHBondContact O-N 3.28Å; A540-K544 VanDerWaalsContact O-CB 3.32Å; A540-K544 WeakPolarHBondContact O-CB 3.2Å; A540-K544 PolarHBondContact O-N 2.68Å; A540-K544 VanDerWaalsContact O-N 3.16Å
541	M	92.3	Very high	84.3	Confident	41 Å²	41	55.4 Å²	55.4	20%	0.202	31%	0.313	C	S	.	.	H	α-helix	trans	-73.3	-43	173.4	-173.4	64.6	78.1	0	0	111.7	C537 V538 I539 K544 L545 Q576 L577 L580	C537-M541 WeakPolarHBondContact O-CB 3.33Å; C537-M541 PolarHBondContact O-N 3.21Å; V538-M541 PolarHBondContact O-N 3.22Å; I539-M541 VanDerWaalsContact C-N 3.26Å; I539-M541 PolarHBondContact O-N 2.71Å; M541-K544 PolarHBondContact O-N 2.73Å; M541-K544 HydrophobicContact SD-CD 4.37Å; M541-L545 HydrophobicContact CG-CD1 4.23Å; M541-L545 VanDerWaalsContact O-CG 3.26Å; M541-L545 WeakPolarHBondContact O-CG 3.31Å; M541-L545 PolarHBondContact O-N 3.08Å; M541-Q576 HydrophobicContact SD-CB 4.26Å; M541-L577 HydrophobicContact CB-CD2 3.92Å; M541-L577 HydrophobicContact CG-CD2 3.71Å; M541-L577 HydrophobicContact CG-CG 4.25Å; M541-L580 HydrophobicContact CB-CD1 3.56Å; M541-L580 HydrophobicContact CE-CD1 3.85Å; M541-L580 HydrophobicContact CG-CD1 3.88Å
542	V	90.8	Very high	82.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-60.7	-46.8	175.4	166.3	0	0	0	0	110.8	L405 L417 L421 V538 I539 K544 L545 L546 L577	L405-V542 HydrophobicContact CD1-CG2 4.18Å; L405-V542 HydrophobicContact CD2-CG2 4.3Å; L417-V542 HydrophobicContact CD2-CB 4.39Å; L417-V542 HydrophobicContact CD2-CG1 3.72Å; L417-V542 HydrophobicContact CD2-CG2 4.27Å; L417-V542 HydrophobicContact CG-CG1 3.84Å; L417-V542 HydrophobicContact CG-CG2 4.18Å; L421-V542 HydrophobicContact CD1-CG2 4.36Å; L421-V542 HydrophobicContact CD2-CB 3.85Å; L421-V542 HydrophobicContact CD2-CG1 3.63Å; L421-V542 HydrophobicContact CD2-CG2 4.29Å; V538-V542 HydrophobicContact CG1-CG2 4.48Å; V538-V542 WeakPolarHBondContact O-CG2 3.38Å; V538-V542 PolarHBondContact O-N 2.98Å; I539-V542 PolarHBondContact O-N 3.37Å; I539-V542 VanDerWaalsContact O-N 3.07Å; V542-K544 VanDerWaalsContact C-N 3.34Å; V542-K544 PolarHBondContact O-N 3.25Å; V542-L545 PolarHBondContact O-N 3.31Å; V542-L545 VanDerWaalsContact O-N 3.15Å; V542-L546 HydrophobicContact CG1-CD1 3.64Å; V542-L546 HydrophobicContact CG1-CG 4.31Å; V542-L546 VanDerWaalsContact O-CG 3.27Å; V542-L546 WeakPolarHBondContact O-CG 3.43Å; V542-L546 PolarHBondContact O-N 2.84Å; V542-L577 HydrophobicContact CG2-CD1 4.21Å; V542-L577 HydrophobicContact CG2-CD2 3.76Å
543	D	90.6	Very high	80.4	Confident	74 Å²	74	66.4 Å²	66.4	40%	0.396	37%	0.367	S	S	.	.	H	α-helix	trans	-58.3	-46.6	177.1	-68.8	-29	0	0	0	111	I539 L545 L546 E547	I539-D543 WeakPolarHBondContact CG2-OD2 3.21Å; I539-D543 PolarHBondContact O-N 3.28Å; D543-L545 VanDerWaalsContact C-N 3.34Å; D543-L545 PolarHBondContact O-N 3.05Å; D543-L546 PolarHBondContact O-N 3.42Å; D543-E547 WeakPolarHBondContact O-CB 3.39Å; D543-E547 WeakPolarHBondContact O-CG 3.43Å; D543-E547 PolarHBondContact O-N 3.03Å
544	K	88.6	Confident	77.9	Confident	123 Å²	123	69.5 Å²	69.5	54%	0.535	38%	0.383	S	S	.	.	H	α-helix	trans	-60	-38.4	175.5	-176	-169.9	173.9	-160	0	113.2	A540 M541 V542 G548	A540-K544 VanDerWaalsContact O-CB 3.32Å; A540-K544 WeakPolarHBondContact O-CB 3.2Å; A540-K544 PolarHBondContact O-N 2.68Å; A540-K544 VanDerWaalsContact O-N 3.16Å; M541-K544 PolarHBondContact O-N 2.73Å; M541-K544 HydrophobicContact SD-CD 4.37Å; V542-K544 VanDerWaalsContact C-N 3.34Å; V542-K544 PolarHBondContact O-N 3.25Å; K544-G548 PolarHBondContact O-N 2.9Å
545	L	86.6	Confident	75.5	Confident	11 Å²	11	75 Å²	75	6%	0.058	42%	0.418	C	S	.	.	H	α-helix	trans	-68.6	-40.1	177.1	-69.7	170.3	0	0	0	111.3	M541 V542 D543 G548 D549 W573 L577	M541-L545 HydrophobicContact CG-CD1 4.23Å; M541-L545 VanDerWaalsContact O-CG 3.26Å; M541-L545 WeakPolarHBondContact O-CG 3.31Å; M541-L545 PolarHBondContact O-N 3.08Å; V542-L545 PolarHBondContact O-N 3.31Å; V542-L545 VanDerWaalsContact O-N 3.15Å; D543-L545 VanDerWaalsContact C-N 3.34Å; D543-L545 PolarHBondContact O-N 3.05Å; L545-G548 PolarHBondContact O-N 2.96Å; L545-D549 PolarHBondContact O-N 2.89Å; L545-W573 HydrophobicContact CD1-CB 4.1Å; L545-W573 HydrophobicContact CD1-CG 4.21Å; L545-W573 HydrophobicContact CD2-CG 4.06Å; L545-L577 HydrophobicContact CD1-CD1 3.66Å; L545-L577 HydrophobicContact CD1-CD2 4.33Å; L545-L577 HydrophobicContact CD1-CG 3.77Å
546	L	85.2	Confident	72.8	Confident	13 Å²	13	78.8 Å²	78.8	7%	0.068	45%	0.451	C	S	.	.	H	α-helix	trans	-68.9	-38.2	176.3	-67.2	166.3	0	0	0	112.4	L417 K418 V542 D543 N550	L417-L546 HydrophobicContact CD2-CD2 4.28Å; L417-L546 HydrophobicContact CD2-CG 4.27Å; K418-L546 HydrophobicContact CD-CD1 4.35Å; K418-L546 HydrophobicContact CG-CD1 3.75Å; V542-L546 HydrophobicContact CG1-CD1 3.64Å; V542-L546 HydrophobicContact CG1-CG 4.31Å; V542-L546 VanDerWaalsContact O-CG 3.27Å; V542-L546 WeakPolarHBondContact O-CG 3.43Å; V542-L546 PolarHBondContact O-N 2.84Å; D543-L546 PolarHBondContact O-N 3.42Å; L546-N550 PolarHBondContact O-N 3.46Å; L546-N550 PolarHBondContact O-ND2 2.85Å
547	E	82.4	Confident	70.4	Confident	138 Å²	138	80.2 Å²	80.2	65%	0.645	47%	0.466	S	S	*	.	H	α-helix	trans	-64.6	-42.4	171.2	-74.1	178	173.8	0	0	111.4	D543 D549 N550 S551	D543-E547 WeakPolarHBondContact O-CB 3.39Å; D543-E547 WeakPolarHBondContact O-CG 3.43Å; D543-E547 PolarHBondContact O-N 3.03Å; E547-D549 PolarHBondContact O-N 2.65Å; E547-N550 PolarHBondContact O-N 2.84Å; E547-S551 PolarHBondContact O-N 1.86Å
548	G	68.8	Low	68.1	Low	36 Å²	36	85.9 Å²	85.9	37%	0.371	49%	0.486	S	S	.	.	H	α-helix	trans	-60.2	-41.3	176.4	0	0	0	0	0	113.1	K544 L545 S551	K544-G548 PolarHBondContact O-N 2.9Å; L545-G548 PolarHBondContact O-N 2.96Å; G548-S551 PolarHBondContact O-N 2.79Å; G548-S551 PolarHBondContact O-OG 2.88Å
549	D	63.5	Low	65.3	Low	52 Å²	52	95.3 Å²	95.3	28%	0.278	53%	0.53	S	S	.	.	H	α-helix	trans	-69.9	-38.8	179.8	-155.5	44.5	0	0	0	112.9	S414 L545 E547 S551 K552 W573	S414-D549 PolarHBondContact OG-OD2 3.48Å; L545-D549 PolarHBondContact O-N 2.89Å; E547-D549 PolarHBondContact O-N 2.65Å; D549-S551 PolarHBondContact O-N 2.87Å; D549-S551 VanDerWaalsContact O-N 3.11Å; D549-K552 IonicContact OD1-NZ 2.72Å; D549-K552 PolarHBondContact OD1-NZ 3.05Å; D549-W573 HydrophobicContact CB-CH2 4.22Å; D549-W573 HydrophobicContact CB-CZ2 3.82Å
550	N	57.3	Low	63.1	Low	138 Å²	138	102.1 Å²	102.1	74%	0.738	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-8.1	173.9	-74.6	-54.1	0	0	0	113.9	L546 E547	L546-N550 PolarHBondContact O-N 3.46Å; L546-N550 PolarHBondContact O-ND2 2.85Å; E547-N550 PolarHBondContact O-N 2.84Å
551	S	54.6	Low	60.6	Low	88 Å²	88	107.8 Å²	107.8	62%	0.615	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	3.7	-175	73.8	0	0	0	0	115.1	E547 G548 D549 P553	E547-S551 PolarHBondContact O-N 1.86Å; G548-S551 PolarHBondContact O-N 2.79Å; G548-S551 PolarHBondContact O-OG 2.88Å; D549-S551 PolarHBondContact O-N 2.87Å; D549-S551 VanDerWaalsContact O-N 3.11Å; S551-P553 WeakPolarHBondContact O-CD 3.5Å
552	K	50.3	Low	58.3	Low	147 Å²	147	110 Å²	110	64%	0.639	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-78.7	119.3	175.8	-70.7	170.9	-177	155.9	0	112	D549	D549-K552 IonicContact OD1-NZ 2.72Å; D549-K552 PolarHBondContact OD1-NZ 3.05Å
553	P	43.3	Very low	55.7	Low	121 Å²	121	117.7 Å²	117.7	79%	0.786	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-75.9	162.2	169	-10.8	29	0	0	0	112	S551	S551-P553 WeakPolarHBondContact O-CD 3.5Å
554	E	34.6	Very low	53.7	Low	183 Å²	183	120.3 Å²	120.3	86%	0.855	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-57.1	149.7	174.1	-71.1	-170.5	137.7	0	0	113.2	A556	E554-A556 PolarHBondContact O-N 3.23Å
555	P	41.9	Very low	51.3	Low	134 Å²	134	121.5 Å²	121.5	87%	0.87	68%	0.677	S	S	*	*			trans	-76	110.1	177.4	30.9	-33.4	0	0	0	111.8
556	A	34.8	Very low	48.9	Very low	89 Å²	89	126.4 Å²	126.4	74%	0.736	71%	0.707	S	S	*	*			trans	-92.5	152.2	163.4	0	0	0	0	0	110.6	E554	E554-A556 PolarHBondContact O-N 3.23Å
557	P	41.9	Very low	46.6	Very low	129 Å²	129	131.4 Å²	131.4	84%	0.838	74%	0.743	S	S	*	*			trans	-77.9	162.8	-158.2	30.1	-36.4	0	0	0	115.8
558	E	46.2	Very low	44.4	Very low	185 Å²	185	132.9 Å²	132.9	86%	0.864	75%	0.75	S	S	*	*			trans	-40.7	136.2	-172.4	-56.6	175.9	133.8	0	0	117
559	Q	33.8	Very low	43.1	Very low	198 Å²	198	138.1 Å²	138.1	93%	0.925	77%	0.769	S	S	*	*			trans	-148	123.6	145.3	-113.3	147.6	20.2	0	0	111.7
560	Q	46.1	Very low	42.5	Very low	185 Å²	185	141.8 Å²	141.8	86%	0.864	80%	0.796	S	S	*	*			trans	-79.2	134.2	178	-64.9	173.4	-24.8	0	0	110.7
561	L	38.3	Very low	42.5	Very low	178 Å²	178	136 Å²	136	93%	0.932	77%	0.769	S	S	*	*			trans	-160.2	150.1	133	-131.1	76	0	0	0	109.6
562	A	45.6	Very low	43.7	Very low	87 Å²	87	134.4 Å²	134.4	72%	0.719	75%	0.754	S	S	*	*			trans	-90.7	147.6	-176.6	0	0	0	0	0	112.1
563	D	35.4	Very low	45.4	Very low	163 Å²	163	128.2 Å²	128.2	87%	0.872	73%	0.726	S	S	*	*				-165.9	164.5	107.9	-117.4	-31.3	0	0	0	114.3
564	V	47.9	Very low	47.5	Very low	128 Å²	128	127.3 Å²	127.3	78%	0.776	71%	0.707	S	S	*	*			trans	-74.1	132.3	-171.5	175.1	0	0	0	0	113.5
565	I	39.6	Very low	50	Low	148 Å²	148	125 Å²	125	76%	0.759	70%	0.697	S	S	*	*				-161.8	136.4	125.3	-68	-150.6	0	0	0	109.8
566	T	34.5	Very low	52.2	Low	115 Å²	115	121.5 Å²	121.5	71%	0.706	67%	0.669	S	S	*	*			trans	55.7	106.7	171.7	47.8	0	0	0	0	119.1	H568	T566-H568 PolarHBondContact O-N 3.17Å
567	S	37.7	Very low	54.8	Low	117 Å²	117	117.3 Å²	117.3	82%	0.818	63%	0.634	S	S	*	*			trans	-67.7	108.9	163.4	53.8	0	0	0	0	112.1
568	H	35.8	Very low	57.2	Low	170 Å²	170	112.9 Å²	112.9	79%	0.787	61%	0.606	S	S	*	*			trans	-118.6	101.8	148.6	-77.5	-71.9	0	0	0	107.7	T566	T566-H568 PolarHBondContact O-N 3.17Å
569	N	42.7	Very low	59.5	Low	146 Å²	146	107.8 Å²	107.8	78%	0.781	59%	0.589	S	S	*	*			trans	-55	140.6	157.9	-88.9	-12.9	0	0	0	107.5	G571	N569-G571 PolarHBondContact O-N 3.32Å
570	P	49.9	Very low	62.4	Low	128 Å²	128	100.5 Å²	100.5	83%	0.831	56%	0.556	S	S	*	*			trans	-65.1	91.5	164.8	28.1	-31.6	0	0	0	107.1
571	G	57.8	Low	64.6	Low	18 Å²	18	91.7 Å²	91.7	19%	0.186	52%	0.515	C	S	.	.			trans	-59	137.9	-164.2	0	0	0	0	0	112.2	N569 W573 Q576	N569-G571 PolarHBondContact O-N 3.32Å; G571-W573 PolarHBondContact O-N 2.97Å; G571-Q576 PolarHBondContact O-NE2 2.87Å
572	D	79.4	Confident	67.2	Low	53 Å²	53	86.2 Å²	86.2	28%	0.283	49%	0.489	S	S	.	.			trans	-40	129.6	172.8	171.4	0.6	0	0	0	109.7	R574 E575 Q576	D572-R574 PolarHBondContact O-N 2.97Å; D572-R574 VanDerWaalsContact O-N 3.12Å; D572-R574 WeakPolarHBondContact OD1-CB 3.4Å; D572-R574 PolarHBondContact OD1-N 3.47Å; D572-E575 HydrophobicContact CB-CB 4.22Å; D572-E575 HydrophobicContact CB-CG 3.97Å; D572-E575 WeakPolarHBondContact O-CB 3.3Å; D572-E575 PolarHBondContact O-N 3.31Å; D572-Q576 PolarHBondContact O-N 2.89Å
573	W	86.1	Confident	69.5	Low	18 Å²	18	87.9 Å²	87.9	7%	0.068	48%	0.477	C	S	.	.	H	α-helix	trans	-55.3	-33.6	-178.3	-70.8	8.2	0	0	0	110.9	A409 H412 S414 L417 L545 D549 G571 Q576 L577	A409-W573 HydrophobicContact CB-CB 3.95Å; H412-W573 HydrophobicContact CB-CE3 4.45Å; H412-W573 HydrophobicContact CB-CH2 4.34Å; H412-W573 HydrophobicContact CB-CZ3 4.23Å; H412-W573 AromaticContact CE1-CD1 3.51Å; H412-W573 AromaticContact CE1-CD2 3.8Å; H412-W573 AromaticContact CE1-CE2 3.84Å; H412-W573 AromaticContact CE1-CG 3.6Å; H412-W573 AromaticContact CE1-NE1 3.68Å; H412-W573 AromaticContact ND1-CD1 3.71Å; H412-W573 AromaticContact ND1-CD2 3.23Å; H412-W573 AromaticContact ND1-CE2 3.22Å; H412-W573 AromaticContact ND1-CE3 3.69Å; H412-W573 AromaticContact ND1-CG 3.56Å; H412-W573 AromaticContact ND1-CZ2 3.64Å; H412-W573 AromaticContact ND1-NE1 3.54Å; S414-W573 WeakPolarHBondContact OG-CH2 3.46Å; L417-W573 HydrophobicContact CD2-CE3 4.22Å; L417-W573 HydrophobicContact CD2-CZ3 4.32Å; L545-W573 HydrophobicContact CD1-CB 4.1Å; L545-W573 HydrophobicContact CD1-CG 4.21Å; L545-W573 HydrophobicContact CD2-CG 4.06Å; D549-W573 HydrophobicContact CB-CH2 4.22Å; D549-W573 HydrophobicContact CB-CZ2 3.82Å; G571-W573 PolarHBondContact O-N 2.97Å; W573-Q576 PolarHBondContact O-N 3.41Å; W573-L577 WeakPolarHBondContact O-CB 3.44Å; W573-L577 WeakPolarHBondContact O-CG 3.36Å; W573-L577 PolarHBondContact O-N 2.86Å
574	R	86.8	Confident	72.2	Confident	102 Å²	102	80.2 Å²	80.2	39%	0.385	44%	0.435	S	S	.	.	H	α-helix	trans	-70	-37.4	174.8	178.2	166.7	169.9	-84	6.4	112.8	L406 A409 L410 D572 Q576 L577 S578	L406-R574 HydrophobicContact CD2-CG 4.37Å; A409-R574 HydrophobicContact CB-CB 4.28Å; L410-R574 VanDerWaalsContact CD1-CD 3.42Å; L410-R574 HydrophobicContact CD2-CB 4.39Å; L410-R574 HydrophobicContact CG-CB 4.14Å; L410-R574 HydrophobicContact CG-CG 4.36Å; D572-R574 PolarHBondContact O-N 2.97Å; D572-R574 VanDerWaalsContact O-N 3.12Å; D572-R574 WeakPolarHBondContact OD1-CB 3.4Å; D572-R574 PolarHBondContact OD1-N 3.47Å; R574-Q576 VanDerWaalsContact C-N 3.25Å; R574-Q576 PolarHBondContact O-N 2.88Å; R574-L577 PolarHBondContact O-N 2.91Å; R574-S578 WeakPolarHBondContact O-CA 3.47Å; R574-S578 WeakPolarHBondContact O-CB 3.16Å; R574-S578 PolarHBondContact O-N 2.84Å
575	E	87.4	Confident	74.3	Confident	135 Å²	135	76.3 Å²	76.3	63%	0.631	41%	0.408	S	S	*	.	H	α-helix	trans	-62.4	-35.8	175.9	-73.9	-172.9	156.5	0	0	111.6	D572 P579	D572-E575 HydrophobicContact CB-CB 4.22Å; D572-E575 HydrophobicContact CB-CG 3.97Å; D572-E575 WeakPolarHBondContact O-CB 3.3Å; D572-E575 PolarHBondContact O-N 3.31Å; E575-P579 VanDerWaalsContact O-CD 3.22Å; E575-P579 WeakPolarHBondContact O-CD 3.49Å
576	Q	87.6	Confident	76.9	Confident	60 Å²	60	73.7 Å²	73.7	28%	0.28	39%	0.392	S	S	.	.	H	α-helix	trans	-75.6	-37.7	177.4	-62.6	-173	66.6	0	0	113.1	M541 G571 D572 W573 R574	M541-Q576 HydrophobicContact SD-CB 4.26Å; G571-Q576 PolarHBondContact O-NE2 2.87Å; D572-Q576 PolarHBondContact O-N 2.89Å; W573-Q576 PolarHBondContact O-N 3.41Å; R574-Q576 VanDerWaalsContact C-N 3.25Å; R574-Q576 PolarHBondContact O-N 2.88Å
577	L	91.4	Very high	79.5	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-83.4	-34.2	-179.6	-74.8	166.9	0	0	0	113.9	L406 A409 L417 M541 V542 L545 W573 R574 L580 V581	L406-L577 HydrophobicContact CD2-CB 3.82Å; A409-L577 HydrophobicContact CB-CD1 3.77Å; L417-L577 HydrophobicContact CD1-CD1 3.99Å; M541-L577 HydrophobicContact CB-CD2 3.92Å; M541-L577 HydrophobicContact CG-CD2 3.71Å; M541-L577 HydrophobicContact CG-CG 4.25Å; V542-L577 HydrophobicContact CG2-CD1 4.21Å; V542-L577 HydrophobicContact CG2-CD2 3.76Å; L545-L577 HydrophobicContact CD1-CD1 3.66Å; L545-L577 HydrophobicContact CD1-CD2 4.33Å; L545-L577 HydrophobicContact CD1-CG 3.77Å; W573-L577 WeakPolarHBondContact O-CB 3.44Å; W573-L577 WeakPolarHBondContact O-CG 3.36Å; W573-L577 PolarHBondContact O-N 2.86Å; R574-L577 PolarHBondContact O-N 2.91Å; L577-L580 PolarHBondContact O-N 2.95Å; L577-V581 HydrophobicContact CB-CG2 4.41Å; L577-V581 WeakPolarHBondContact O-CG2 3.31Å; L577-V581 PolarHBondContact O-N 2.84Å
578	S	91.9	Very high	82.1	Confident	37 Å²	37	62.8 Å²	62.8	26%	0.259	32%	0.321	S	S	.	.	H	α-helix	trans	-46.9	-51.3	-177	177.4	0	0	0	0	114.6	R574 L580 V581 T582	R574-S578 WeakPolarHBondContact O-CA 3.47Å; R574-S578 WeakPolarHBondContact O-CB 3.16Å; R574-S578 PolarHBondContact O-N 2.84Å; S578-L580 PolarHBondContact O-N 3.33Å; S578-V581 PolarHBondContact O-N 2.83Å; S578-T582 VanDerWaalsContact O-CB 3.26Å; S578-T582 WeakPolarHBondContact O-CB 3.3Å; S578-T582 PolarHBondContact O-N 2.86Å; S578-T582 PolarHBondContact O-OG1 2.71Å
579	P	93.9	Very high	84.7	Confident	77 Å²	77	58.6 Å²	58.6	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-66.1	-35.4	179.5	25.4	-34.2	0	0	0	113.1	E575 R583	E575-P579 VanDerWaalsContact O-CD 3.22Å; E575-P579 WeakPolarHBondContact O-CD 3.49Å; P579-R583 VanDerWaalsContact O-CB 3.28Å; P579-R583 WeakPolarHBondContact O-CB 3.34Å; P579-R583 PolarHBondContact O-N 2.89Å
580	L	94	Very high	86.9	Confident	45 Å²	45	55.4 Å²	55.4	24%	0.236	28%	0.284	C	S	.	.	H	α-helix	trans	-71.2	-43.2	178.9	-60.8	177.8	0	0	0	111.6	C537 V538 M541 L577 S578 R583 L584	C537-L580 HydrophobicContact CB-CD2 4.17Å; V538-L580 HydrophobicContact CG2-CB 3.77Å; M541-L580 HydrophobicContact CB-CD1 3.56Å; M541-L580 HydrophobicContact CE-CD1 3.85Å; M541-L580 HydrophobicContact CG-CD1 3.88Å; L577-L580 PolarHBondContact O-N 2.95Å; S578-L580 PolarHBondContact O-N 3.33Å; L580-R583 PolarHBondContact O-N 3.24Å; L580-L584 PolarHBondContact O-N 3.35Å
581	V	93.1	Very high	88.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.7	-41.8	177.2	174.8	0	0	0	0	111.1	A402 L405 L406 V538 L577 S578 R583 L584 K585	A402-V581 HydrophobicContact CB-CG1 3.65Å; L405-V581 HydrophobicContact CD2-CG2 4.14Å; L406-V581 HydrophobicContact CD1-CB 4.08Å; L406-V581 HydrophobicContact CD1-CG1 3.73Å; L406-V581 HydrophobicContact CD2-CB 4Å; L406-V581 HydrophobicContact CD2-CG1 4.38Å; L406-V581 HydrophobicContact CD2-CG2 3.84Å; L406-V581 HydrophobicContact CG-CB 4.12Å; L406-V581 HydrophobicContact CG-CG1 3.93Å; L406-V581 HydrophobicContact CG-CG2 4.16Å; V538-V581 HydrophobicContact CG1-CG2 4.39Å; V538-V581 HydrophobicContact CG2-CG2 4.22Å; L577-V581 HydrophobicContact CB-CG2 4.41Å; L577-V581 WeakPolarHBondContact O-CG2 3.31Å; L577-V581 PolarHBondContact O-N 2.84Å; S578-V581 PolarHBondContact O-N 2.83Å; V581-R583 VanDerWaalsContact C-N 3.31Å; V581-R583 PolarHBondContact O-N 2.85Å; V581-L584 PolarHBondContact O-N 3.36Å; V581-K585 WeakPolarHBondContact O-CG 3.41Å; V581-K585 PolarHBondContact O-N 2.81Å
582	T	92.8	Very high	90.2	Very high	63 Å²	63	48.7 Å²	48.7	39%	0.387	24%	0.238	S	C	.	.	H	α-helix	trans	-59.1	-45.7	173	-57.8	0	0	0	0	110.3	S578 L584 K585 E586	S578-T582 VanDerWaalsContact O-CB 3.26Å; S578-T582 WeakPolarHBondContact O-CB 3.3Å; S578-T582 PolarHBondContact O-N 2.86Å; S578-T582 PolarHBondContact O-OG1 2.71Å; T582-L584 PolarHBondContact O-N 3.11Å; T582-K585 WeakPolarHBondContact O-CB 3.46Å; T582-K585 PolarHBondContact O-N 3.13Å; T582-E586 WeakPolarHBondContact O-CG 3.26Å; T582-E586 PolarHBondContact O-N 3.4Å
583	R	93.2	Very high	90.6	Very high	123 Å²	123	48.9 Å²	48.9	46%	0.464	24%	0.236	S	C	.	.	H	α-helix	trans	-64.3	-37.2	178	-172.4	57.3	178.9	173.5	4.2	113.2	P579 L580 V581 E586 C587	P579-R583 VanDerWaalsContact O-CB 3.28Å; P579-R583 WeakPolarHBondContact O-CB 3.34Å; P579-R583 PolarHBondContact O-N 2.89Å; L580-R583 PolarHBondContact O-N 3.24Å; V581-R583 VanDerWaalsContact C-N 3.31Å; V581-R583 PolarHBondContact O-N 2.85Å; R583-E586 VanDerWaalsContact CD-OE2 3.23Å; R583-E586 WeakPolarHBondContact CD-OE2 3.47Å; R583-E586 IonicContact CZ-OE2 3.71Å; R583-E586 IonicContact NE-OE2 3.92Å; R583-E586 IonicContact NH1-OE2 3.21Å; R583-E586 PolarHBondContact NH1-OE2 2.92Å; R583-E586 PolarHBondContact O-N 3.15Å; R583-C587 PolarHBondContact O-N 2.82Å
584	L	92.5	Very high	90.7	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-46.7	172.6	177.6	61.5	0	0	0	111.1	L424 V531 C534 L535 V538 L580 V581 T582 E586 C587 V588	L424-L584 HydrophobicContact CD1-CD2 4.39Å; L424-L584 HydrophobicContact CD2-CD2 4.07Å; L424-L584 HydrophobicContact CG-CD2 4.44Å; V531-L584 HydrophobicContact CG1-CD1 4.03Å; C534-L584 HydrophobicContact CB-CB 4.08Å; C534-L584 HydrophobicContact CB-CD1 3.95Å; L535-L584 HydrophobicContact CB-CD1 4.32Å; L535-L584 HydrophobicContact CD1-CD2 4.33Å; V538-L584 HydrophobicContact CG2-CD2 4.45Å; L580-L584 PolarHBondContact O-N 3.35Å; V581-L584 PolarHBondContact O-N 3.36Å; T582-L584 PolarHBondContact O-N 3.11Å; L584-E586 PolarHBondContact O-N 3.35Å; L584-C587 PolarHBondContact O-N 2.78Å; L584-V588 HydrophobicContact CD1-CG2 4.21Å; L584-V588 VanDerWaalsContact O-CG2 3.31Å; L584-V588 WeakPolarHBondContact O-CG2 3.45Å; L584-V588 PolarHBondContact O-N 3.46Å
585	K	93.1	Very high	90.7	Very high	47 Å²	47	45.4 Å²	45.4	20%	0.204	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-43.1	176.5	-69.1	179.4	-177.7	-168.5	0	112.2	T399 A402 D403 V581 T582 V588 L589	T399-K585 HydrophobicContact CG2-CD 4.08Å; A402-K585 HydrophobicContact CB-CG 4.27Å; D403-K585 IonicContact OD1-NZ 3.28Å; D403-K585 PolarHBondContact OD1-NZ 3.22Å; D403-K585 IonicContact OD2-NZ 2.65Å; D403-K585 PolarHBondContact OD2-NZ 3.29Å; V581-K585 WeakPolarHBondContact O-CG 3.41Å; V581-K585 PolarHBondContact O-N 2.81Å; T582-K585 WeakPolarHBondContact O-CB 3.46Å; T582-K585 PolarHBondContact O-N 3.13Å; K585-V588 PolarHBondContact O-N 3.02Å; K585-L589 WeakPolarHBondContact O-CB 3.21Å; K585-L589 PolarHBondContact O-N 3.43Å
586	E	92.5	Very high	90.8	Very high	92 Å²	92	41 Å²	41	43%	0.43	20%	0.204	S	C	.	.	H	α-helix	trans	-58.7	-49.3	174.3	-72.2	175.6	175.6	0	0	112.2	T582 R583 L584 V588 L589 E590	T582-E586 WeakPolarHBondContact O-CG 3.26Å; T582-E586 PolarHBondContact O-N 3.4Å; R583-E586 VanDerWaalsContact CD-OE2 3.23Å; R583-E586 WeakPolarHBondContact CD-OE2 3.47Å; R583-E586 IonicContact CZ-OE2 3.71Å; R583-E586 IonicContact NE-OE2 3.92Å; R583-E586 IonicContact NH1-OE2 3.21Å; R583-E586 PolarHBondContact NH1-OE2 2.92Å; R583-E586 PolarHBondContact O-N 3.15Å; L584-E586 PolarHBondContact O-N 3.35Å; E586-V588 PolarHBondContact O-N 3.42Å; E586-L589 PolarHBondContact O-N 2.62Å; E586-E590 PolarHBondContact O-N 2.75Å
587	C	90.9	Very high	90.9	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.014	21%	0.207	C	C	.	.	H	α-helix	trans	-66.1	-37.2	-179.9	-72.9	0	0	0	0	112.4	V531 R583 L584 V591	V531-C587 HydrophobicContact CG2-CB 3.87Å; R583-C587 PolarHBondContact O-N 2.82Å; L584-C587 PolarHBondContact O-N 2.78Å; C587-V591 WeakPolarHBondContact O-CB 3.31Å; C587-V591 VanDerWaalsContact O-CG2 3.27Å; C587-V591 WeakPolarHBondContact O-CG2 3.26Å; C587-V591 PolarHBondContact O-N 2.8Å; C587-V591 VanDerWaalsContact O-N 3.13Å
588	V	90.5	Very high	90.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-45.1	172.9	169.8	0	0	0	0	110.2	I398 F431 V531 L584 K585 E586 V591 V592	I398-V588 HydrophobicContact CG2-CG1 4.46Å; I398-V588 HydrophobicContact CG2-CG2 4.17Å; F431-V588 HydrophobicContact CE1-CG1 4.18Å; F431-V588 HydrophobicContact CE1-CG2 4.46Å; F431-V588 HydrophobicContact CE2-CG1 4.4Å; F431-V588 HydrophobicContact CZ-CG1 3.95Å; V531-V588 HydrophobicContact CG1-CG2 3.83Å; V531-V588 HydrophobicContact CG2-CG2 4.24Å; L584-V588 HydrophobicContact CD1-CG2 4.21Å; L584-V588 VanDerWaalsContact O-CG2 3.31Å; L584-V588 WeakPolarHBondContact O-CG2 3.45Å; L584-V588 PolarHBondContact O-N 3.46Å; K585-V588 PolarHBondContact O-N 3.02Å; E586-V588 PolarHBondContact O-N 3.42Å; V588-V591 PolarHBondContact O-N 3.01Å; V588-V592 HydrophobicContact CG1-CG2 4.33Å; V588-V592 WeakPolarHBondContact O-CG2 3.45Å; V588-V592 PolarHBondContact O-N 3.24Å
589	L	90.8	Very high	90.8	Very high	82 Å²	82	40.8 Å²	40.8	43%	0.429	20%	0.195	S	C	.	.	H	α-helix	trans	-62	-44	177.5	-177	65.6	0	0	0	112.6	K585 E586 V591 V592 E593	K585-L589 WeakPolarHBondContact O-CB 3.21Å; K585-L589 PolarHBondContact O-N 3.43Å; E586-L589 PolarHBondContact O-N 2.62Å; L589-V591 VanDerWaalsContact C-N 3.32Å; L589-V591 PolarHBondContact O-N 3.39Å; L589-V592 PolarHBondContact O-N 2.97Å; L589-E593 WeakPolarHBondContact O-CG 3.38Å; L589-E593 PolarHBondContact O-N 3.38Å
590	E	89.3	Confident	90.6	Very high	78 Å²	78	37.5 Å²	37.5	36%	0.364	17%	0.173	S	C	.	.	H	α-helix	trans	-59.9	-43.6	176.7	-168.8	-165.7	158.8	0	0	111.6	V527 E586 E593 K594	V527-E590 HydrophobicContact CG1-CG 4.44Å; E586-E590 PolarHBondContact O-N 2.75Å; E590-E593 PolarHBondContact O-N 3.39Å; E590-K594 PolarHBondContact O-N 2.94Å; E590-K594 VanDerWaalsContact OE1-CE 3.24Å; E590-K594 WeakPolarHBondContact OE1-CE 3.34Å; E590-K594 IonicContact OE1-NZ 2.74Å; E590-K594 PolarHBondContact OE1-NZ 3.26Å
591	V	88.3	Confident	90.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.1	-43.7	177.8	167.1	0	0	0	0	111.4	F431 L435 W524 V527 W528 V531 C587 V588 L589 A595	F431-V591 HydrophobicContact CE1-CB 4.35Å; F431-V591 HydrophobicContact CE1-CG1 3.71Å; F431-V591 HydrophobicContact CZ-CB 4.26Å; F431-V591 HydrophobicContact CZ-CG1 3.67Å; L435-V591 HydrophobicContact CD1-CG1 3.27Å; W524-V591 HydrophobicContact CH2-CG1 4.01Å; V527-V591 HydrophobicContact CG1-CG2 3.69Å; W528-V591 HydrophobicContact CB-CG1 4.45Å; W528-V591 HydrophobicContact CB-CG2 4.13Å; V531-V591 HydrophobicContact CG2-CB 4.43Å; V531-V591 HydrophobicContact CG2-CG2 3.76Å; C587-V591 WeakPolarHBondContact O-CB 3.31Å; C587-V591 VanDerWaalsContact O-CG2 3.27Å; C587-V591 WeakPolarHBondContact O-CG2 3.26Å; C587-V591 PolarHBondContact O-N 2.8Å; C587-V591 VanDerWaalsContact O-N 3.13Å; V588-V591 PolarHBondContact O-N 3.01Å; L589-V591 VanDerWaalsContact C-N 3.32Å; L589-V591 PolarHBondContact O-N 3.39Å; V591-A595 VanDerWaalsContact O-CB 3.31Å; V591-A595 WeakPolarHBondContact O-CB 3.46Å; V591-A595 PolarHBondContact O-N 2.66Å
592	V	88.9	Confident	90	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.036	16%	0.162	C	C	.	.	H	α-helix	trans	-56.3	-51.1	173.3	169.5	0	0	0	0	110.3	V391 Q395 F431 V588 L589 K594 A595 K596	V391-V592 HydrophobicContact CG1-CB 4.25Å; V391-V592 HydrophobicContact CG1-CG1 3.85Å; V391-V592 HydrophobicContact CG1-CG2 3.9Å; Q395-V592 HydrophobicContact CB-CG2 3.93Å; Q395-V592 HydrophobicContact CG-CG2 3.96Å; F431-V592 HydrophobicContact CE2-CG2 3.73Å; F431-V592 HydrophobicContact CZ-CG2 3.79Å; V588-V592 HydrophobicContact CG1-CG2 4.33Å; V588-V592 WeakPolarHBondContact O-CG2 3.45Å; V588-V592 PolarHBondContact O-N 3.24Å; L589-V592 PolarHBondContact O-N 2.97Å; V592-K594 PolarHBondContact O-N 3.3Å; V592-A595 PolarHBondContact O-N 2.73Å; V592-K596 WeakPolarHBondContact O-CB 3.29Å; V592-K596 PolarHBondContact O-N 3.08Å
593	E	88.3	Confident	89.7	Confident	56 Å²	56	34.2 Å²	34.2	26%	0.262	15%	0.153	S	C	.	.	H	α-helix	trans	-63.7	-41.6	-176.5	-77.7	-62.2	123.1	0	0	113	L589 E590 R597	L589-E593 WeakPolarHBondContact O-CG 3.38Å; L589-E593 PolarHBondContact O-N 3.38Å; E590-E593 PolarHBondContact O-N 3.39Å; E593-R597 WeakPolarHBondContact O-CG 3Å; E593-R597 PolarHBondContact O-N 3.45Å; E593-R597 VanDerWaalsContact O-N 3.09Å; E593-R597 IonicContact OE2-NH2 3.34Å
594	K	87.3	Confident	89.3	Confident	45 Å²	45	28.4 Å²	28.4	20%	0.196	13%	0.131	C	C	.	.	H	α-helix	trans	-65.5	-45.1	174.8	-72.9	-169.6	-169	176.9	0	111.5	L444 E523 W524 V527 E590 V592 A598	L444-K594 HydrophobicContact CD2-CB 4.29Å; E523-K594 IonicContact OE1-NZ 2.75Å; E523-K594 PolarHBondContact OE1-NZ 3.08Å; W524-K594 HydrophobicContact CE3-CB 4.38Å; W524-K594 HydrophobicContact CE3-CD 4.37Å; W524-K594 HydrophobicContact CZ3-CB 3.74Å; W524-K594 HydrophobicContact CZ3-CD 4.37Å; V527-K594 HydrophobicContact CG1-CD 4.21Å; V527-K594 VanDerWaalsContact CG2-NZ 3.26Å; E590-K594 PolarHBondContact O-N 2.94Å; E590-K594 VanDerWaalsContact OE1-CE 3.24Å; E590-K594 WeakPolarHBondContact OE1-CE 3.34Å; E590-K594 IonicContact OE1-NZ 2.74Å; E590-K594 PolarHBondContact OE1-NZ 3.26Å; V592-K594 PolarHBondContact O-N 3.3Å; K594-A598 WeakPolarHBondContact O-CB 3.43Å; K594-A598 PolarHBondContact O-N 3.15Å
595	A	87.7	Confident	88.6	Confident	2 Å²	2	29 Å²	29	2%	0.017	13%	0.134	C	C	.	.	H	α-helix	trans	-64.5	-43	177.3	0	0	0	0	0	112.3	L435 V440 W524 V591 V592 A598 M599	L435-A595 HydrophobicContact CD1-CB 4.43Å; L435-A595 HydrophobicContact CD2-CB 3.5Å; L435-A595 VanDerWaalsContact CD2-CB 3.5Å; V440-A595 HydrophobicContact CG1-CB 4.39Å; W524-A595 HydrophobicContact CH2-CB 4.32Å; V591-A595 VanDerWaalsContact O-CB 3.31Å; V591-A595 WeakPolarHBondContact O-CB 3.46Å; V591-A595 PolarHBondContact O-N 2.66Å; V592-A595 PolarHBondContact O-N 2.73Å; A595-A598 PolarHBondContact O-N 2.82Å; A595-M599 WeakPolarHBondContact O-CG 3.46Å; A595-M599 PolarHBondContact O-N 3.29Å
596	K	89.6	Confident	87.8	Confident	42 Å²	42	28.6 Å²	28.6	18%	0.183	13%	0.133	C	C	.	.	H	α-helix	trans	-54.8	-55.2	176	-175	-167.9	178.3	-161.4	0	110.1	D255 E258 L388 V592 A598 M599 T600	D255-K596 WeakPolarHBondContact OD1-CE 3.25Å; D255-K596 IonicContact OD1-NZ 2.62Å; D255-K596 PolarHBondContact OD1-NZ 3.3Å; E258-K596 IonicContact OE2-NZ 2.96Å; E258-K596 PolarHBondContact OE2-NZ 3.13Å; L388-K596 HydrophobicContact CD2-CB 4.34Å; L388-K596 HydrophobicContact CD2-CG 4.12Å; V592-K596 WeakPolarHBondContact O-CB 3.29Å; V592-K596 PolarHBondContact O-N 3.08Å; K596-A598 VanDerWaalsContact C-N 3.34Å; K596-A598 PolarHBondContact O-N 3.31Å; K596-M599 PolarHBondContact O-N 3.09Å; K596-T600 WeakPolarHBondContact O-CB 3.49Å; K596-T600 PolarHBondContact O-N 2.86Å; K596-T600 PolarHBondContact O-OG1 3.33Å
597	R	89.2	Confident	87.1	Confident	94 Å²	94	24.9 Å²	24.9	36%	0.355	12%	0.118	S	C	.	.	H	α-helix	trans	-58.9	-41.9	178	-72.4	177.4	176.2	139.6	12.6	112.8	E258 L259 L447 E593 T600 F601	E258-R597 PolarHBondContact O-NE 3.31Å; L259-R597 HydrophobicContact CD2-CB 4.31Å; L259-R597 WeakPolarHBondContact CD2-O 3.29Å; L447-R597 HydrophobicContact CD2-CB 3.87Å; E593-R597 WeakPolarHBondContact O-CG 3Å; E593-R597 PolarHBondContact O-N 3.45Å; E593-R597 VanDerWaalsContact O-N 3.09Å; E593-R597 IonicContact OE2-NH2 3.34Å; R597-T600 PolarHBondContact O-N 3.36Å; R597-F601 WeakPolarHBondContact O-CB 3.35Å; R597-F601 PolarHBondContact O-N 3.26Å
598	A	89.1	Confident	86.1	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.7	-48.5	178.1	0	0	0	0	0	112.1	A443 L444 K594 A595 K596 F601 V602	A443-A598 HydrophobicContact CB-CB 3.9Å; L444-A598 HydrophobicContact CD2-CB 3.78Å; L444-A598 HydrophobicContact CG-CB 3.72Å; K594-A598 WeakPolarHBondContact O-CB 3.43Å; K594-A598 PolarHBondContact O-N 3.15Å; A595-A598 PolarHBondContact O-N 2.82Å; K596-A598 VanDerWaalsContact C-N 3.34Å; K596-A598 PolarHBondContact O-N 3.31Å; A598-F601 WeakPolarHBondContact O-CB 3.41Å; A598-F601 PolarHBondContact O-N 3Å; A598-V602 PolarHBondContact O-N 3.47Å; A598-V602 VanDerWaalsContact O-N 3.16Å
599	M	91.5	Very high	84.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68	-38	178.1	-62.8	-57.5	88.2	0	0	111.9	A384 V387 L388 L439 V440 A443 A595 K596 F601 V602 L603	A384-M599 HydrophobicContact CB-CB 4.19Å; A384-M599 HydrophobicContact CB-CG 4.42Å; A384-M599 HydrophobicContact CB-SD 3.7Å; V387-M599 HydrophobicContact CB-CG 4.31Å; V387-M599 HydrophobicContact CB-SD 4.22Å; V387-M599 HydrophobicContact CG1-CG 3.93Å; V387-M599 HydrophobicContact CG1-SD 4.18Å; L388-M599 HydrophobicContact CD1-CB 3.76Å; L388-M599 HydrophobicContact CD2-CB 3.87Å; L388-M599 HydrophobicContact CD2-CG 4.5Å; L388-M599 HydrophobicContact CG-CB 3.56Å; L388-M599 HydrophobicContact CG-CG 4.19Å; L439-M599 HydrophobicContact CD2-SD 4.23Å; L439-M599 HydrophobicContact CG-CE 4.16Å; L439-M599 HydrophobicContact CG-SD 4.32Å; V440-M599 HydrophobicContact CB-CE 4.3Å; V440-M599 HydrophobicContact CG2-CE 3.98Å; V440-M599 HydrophobicContact CG2-SD 4.18Å; A443-M599 HydrophobicContact CB-CE 3.46Å; A443-M599 VanDerWaalsContact CB-CE 3.46Å; A595-M599 WeakPolarHBondContact O-CG 3.46Å; A595-M599 PolarHBondContact O-N 3.29Å; K596-M599 PolarHBondContact O-N 3.09Å; M599-F601 VanDerWaalsContact C-N 3.26Å; M599-F601 PolarHBondContact O-N 2.95Å; M599-V602 HydrophobicContact CE-CG2 4.19Å; M599-V602 WeakPolarHBondContact O-CB 3.33Å; M599-V602 PolarHBondContact O-N 3.16Å; M599-V602 VanDerWaalsContact O-N 3.13Å; M599-L603 WeakPolarHBondContact O-CG 3.47Å; M599-L603 PolarHBondContact O-N 3.37Å
600	T	89.5	Confident	83.6	Confident	7 Å²	7	24.5 Å²	24.5	4%	0.043	12%	0.122	C	C	.	.	H	α-helix	trans	-62.3	-33.1	172.5	-62.7	0	0	0	0	112.1	D255 L256 L259 K596 R597 L603 L604	D255-T600 HydrophobicContact CB-CG2 3.95Å; D255-T600 WeakPolarHBondContact O-CG2 3.46Å; L256-T600 HydrophobicContact CD2-CG2 3.87Å; L256-T600 HydrophobicContact CG-CG2 4.33Å; L259-T600 HydrophobicContact CD1-CG2 4.28Å; L259-T600 HydrophobicContact CD2-CG2 3.92Å; L259-T600 HydrophobicContact CG-CG2 4.1Å; K596-T600 WeakPolarHBondContact O-CB 3.49Å; K596-T600 PolarHBondContact O-N 2.86Å; K596-T600 PolarHBondContact O-OG1 3.33Å; R597-T600 PolarHBondContact O-N 3.36Å; T600-L603 PolarHBondContact O-N 3.44Å; T600-L604 WeakPolarHBondContact O-CB 3.41Å; T600-L604 PolarHBondContact O-N 2.96Å
601	F	88.7	Confident	82.3	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.5	-38.1	172.6	-174	-103.7	0	0	0	112.6	L259 L262 W266 A446 L447 A450 R597 A598 M599 L603 L604 Q605	L259-F601 HydrophobicContact CD2-CB 4.22Å; L262-F601 HydrophobicContact CD2-CE2 4.49Å; W266-F601 HydrophobicContact CD2-CE2 4Å; W266-F601 AromaticContact CD2-CZ 3.9Å; W266-F601 HydrophobicContact CD2-CZ 3.9Å; W266-F601 AromaticContact CE2-CZ 3.86Å; W266-F601 HydrophobicContact CE3-CE2 4.03Å; W266-F601 HydrophobicContact CE3-CZ 4.03Å; W266-F601 HydrophobicContact CG-CE2 4.33Å; W266-F601 HydrophobicContact CG-CZ 4.5Å; W266-F601 HydrophobicContact CH2-CZ 4.16Å; W266-F601 AromaticContact CZ2-CZ 3.99Å; W266-F601 HydrophobicContact CZ2-CZ 3.99Å; W266-F601 HydrophobicContact CZ3-CZ 4.18Å; A446-F601 HydrophobicContact CB-CD1 4.26Å; A446-F601 HydrophobicContact CB-CE1 3.85Å; L447-F601 HydrophobicContact CB-CB 4.24Å; L447-F601 HydrophobicContact CB-CD1 4.08Å; L447-F601 HydrophobicContact CB-CG 4.04Å; L447-F601 HydrophobicContact CD1-CB 4.1Å; L447-F601 HydrophobicContact CD1-CD2 3.73Å; L447-F601 HydrophobicContact CD1-CE2 4.37Å; L447-F601 HydrophobicContact CD1-CG 3.92Å; A450-F601 HydrophobicContact CB-CE2 3.72Å; A450-F601 HydrophobicContact CB-CZ 3.59Å; R597-F601 WeakPolarHBondContact O-CB 3.35Å; R597-F601 PolarHBondContact O-N 3.26Å; A598-F601 WeakPolarHBondContact O-CB 3.41Å; A598-F601 PolarHBondContact O-N 3Å; M599-F601 VanDerWaalsContact C-N 3.26Å; M599-F601 PolarHBondContact O-N 2.95Å; F601-L603 VanDerWaalsContact C-N 3.34Å; F601-L604 HydrophobicContact CD2-CD2 4.4Å; F601-L604 PolarHBondContact O-N 2.98Å; F601-Q605 PolarHBondContact O-N 3.44Å
602	V	87	Confident	81.2	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-44.5	170.1	175.5	0	0	0	0	110.8	Y376 T381 A384 L439 A443 A598 M599 Q605 E606	Y376-V602 HydrophobicContact CD1-CG1 4.32Å; Y376-V602 HydrophobicContact CD1-CG2 4.33Å; Y376-V602 HydrophobicContact CD2-CB 4.07Å; Y376-V602 HydrophobicContact CD2-CG1 3.79Å; Y376-V602 HydrophobicContact CD2-CG2 3.91Å; Y376-V602 HydrophobicContact CE1-CG2 4.16Å; Y376-V602 HydrophobicContact CE2-CB 4.32Å; Y376-V602 HydrophobicContact CE2-CG1 4.47Å; Y376-V602 HydrophobicContact CE2-CG2 3.74Å; Y376-V602 HydrophobicContact CG-CB 4.46Å; Y376-V602 HydrophobicContact CG-CG1 3.75Å; Y376-V602 HydrophobicContact CG-CG2 4.26Å; T381-V602 HydrophobicContact CG2-CG1 4.14Å; A384-V602 HydrophobicContact CB-CB 4.13Å; A384-V602 HydrophobicContact CB-CG1 3.86Å; L439-V602 HydrophobicContact CD1-CG2 4.34Å; A443-V602 HydrophobicContact CB-CG2 3.56Å; A598-V602 PolarHBondContact O-N 3.47Å; A598-V602 VanDerWaalsContact O-N 3.16Å; M599-V602 HydrophobicContact CE-CG2 4.19Å; M599-V602 WeakPolarHBondContact O-CB 3.33Å; M599-V602 PolarHBondContact O-N 3.16Å; M599-V602 VanDerWaalsContact O-N 3.13Å; V602-Q605 PolarHBondContact O-N 3.24Å; V602-E606 PolarHBondContact O-N 3.3Å
603	L	85.6	Confident	80.5	Confident	39 Å²	39	30.1 Å²	30.1	20%	0.204	16%	0.155	C	C	.	.	H	α-helix	trans	-73.5	-28.3	-179.3	-62.9	-177.1	0	0	0	113.7	A384 Q385 L388 M599 T600 F601 Q605 E606 A607	A384-L603 HydrophobicContact CB-CD2 4.18Å; A384-L603 HydrophobicContact CB-CG 4.39Å; Q385-L603 HydrophobicContact CG-CD1 4.09Å; Q385-L603 HydrophobicContact CG-CD2 3.83Å; L388-L603 HydrophobicContact CD1-CD1 3.6Å; M599-L603 WeakPolarHBondContact O-CG 3.47Å; M599-L603 PolarHBondContact O-N 3.37Å; T600-L603 PolarHBondContact O-N 3.44Å; F601-L603 VanDerWaalsContact C-N 3.34Å; L603-Q605 VanDerWaalsContact C-N 3.29Å; L603-Q605 PolarHBondContact O-N 3.37Å; L603-E606 PolarHBondContact O-N 2.85Å; L603-A607 WeakPolarHBondContact O-CB 3.31Å; L603-A607 PolarHBondContact O-N 3Å
604	L	85.4	Confident	80.1	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-57.9	-44.2	169.6	170.6	57.6	0	0	0	110.6	L256 L259 L262 R270 V273 T600 F601 E606 A607 A608	L256-L604 HydrophobicContact CD2-CB 3.72Å; L256-L604 HydrophobicContact CD2-CD1 3.96Å; L256-L604 HydrophobicContact CD2-CG 4.26Å; L259-L604 HydrophobicContact CD1-CD2 3.92Å; L262-L604 HydrophobicContact CD1-CD2 4.43Å; R270-L604 HydrophobicContact CB-CD1 4.26Å; R270-L604 HydrophobicContact CB-CD2 4.14Å; V273-L604 HydrophobicContact CB-CD1 4.05Å; V273-L604 HydrophobicContact CG1-CD1 4.4Å; V273-L604 HydrophobicContact CG2-CD1 3.93Å; T600-L604 WeakPolarHBondContact O-CB 3.41Å; T600-L604 PolarHBondContact O-N 2.96Å; F601-L604 HydrophobicContact CD2-CD2 4.4Å; F601-L604 PolarHBondContact O-N 2.98Å; L604-E606 PolarHBondContact O-N 3.31Å; L604-A607 PolarHBondContact O-N 3.31Å; L604-A608 WeakPolarHBondContact O-CB 3.43Å; L604-A608 PolarHBondContact O-N 2.96Å
605	Q	76.5	Confident	79.8	Confident	13 Å²	13	26.8 Å²	26.8	6%	0.061	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-40.6	177.5	-63.3	-173.9	3.3	0	0	112	W266 I374 F601 V602 L603 A608 C609	W266-Q605 HydrophobicContact CH2-CG 4.08Å; W266-Q605 VanDerWaalsContact CH2-NE2 3.33Å; W266-Q605 HydrophobicContact CZ3-CG 3.82Å; I374-Q605 PolarHBondContact O-OE1 3.29Å; F601-Q605 PolarHBondContact O-N 3.44Å; V602-Q605 PolarHBondContact O-N 3.24Å; L603-Q605 VanDerWaalsContact C-N 3.29Å; L603-Q605 PolarHBondContact O-N 3.37Å; Q605-A608 PolarHBondContact O-N 2.92Å; Q605-C609 VanDerWaalsContact O-CB 3.3Å; Q605-C609 WeakPolarHBondContact O-CB 3.21Å; Q605-C609 PolarHBondContact O-N 2.88Å; Q605-C609 PolarHBondContact O-SG 2.93Å; Q605-C609 VanDerWaalsContact O-SG 3.35Å
606	E	77.7	Confident	79.8	Confident	39 Å²	39	32.3 Å²	32.3	18%	0.182	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-47.7	174.2	179.9	160.6	-122.6	0	0	112.3	K364 T381 V602 L603 L604 A608 C609 S610	K364-E606 IonicContact NZ-OE1 2.65Å; K364-E606 PolarHBondContact NZ-OE1 3.23Å; T381-E606 VanDerWaalsContact CB-CD 3.5Å; T381-E606 VanDerWaalsContact CB-OE2 3.28Å; T381-E606 WeakPolarHBondContact CB-OE2 3.39Å; T381-E606 HydrophobicContact CG2-CB 3.82Å; T381-E606 HydrophobicContact CG2-CG 4.31Å; T381-E606 VanDerWaalsContact OG1-CD 3.28Å; T381-E606 PolarHBondContact OG1-OE1 3Å; T381-E606 PolarHBondContact OG1-OE2 3.23Å; V602-E606 PolarHBondContact O-N 3.3Å; L603-E606 PolarHBondContact O-N 2.85Å; L604-E606 PolarHBondContact O-N 3.31Å; E606-A608 VanDerWaalsContact C-N 3.28Å; E606-A608 PolarHBondContact O-N 3.44Å; E606-C609 PolarHBondContact O-N 2.83Å; E606-S610 WeakPolarHBondContact O-CB 3.29Å; E606-S610 PolarHBondContact O-N 2.72Å
607	A	76.3	Confident	79.9	Confident	14 Å²	14	31.2 Å²	31.2	12%	0.116	17%	0.166	C	C	.	.	H	α-helix	trans	-66.4	-31.6	-179.7	0	0	0	0	0	112.3	V273 R276 Y277 L603 L604 S610	V273-A607 HydrophobicContact CB-CB 4.49Å; V273-A607 HydrophobicContact CG1-CB 3.57Å; V273-A607 HydrophobicContact CG2-CB 4.02Å; R276-A607 PolarHBondContact NH1-O 2.9Å; Y277-A607 HydrophobicContact CE2-CB 4.42Å; L603-A607 WeakPolarHBondContact O-CB 3.31Å; L603-A607 PolarHBondContact O-N 3Å; L604-A607 PolarHBondContact O-N 3.31Å; A607-S610 PolarHBondContact O-OG 3.07Å
608	A	71.8	Confident	80	Confident	12 Å²	12	29 Å²	29	10%	0.099	16%	0.16	C	C	.	.	H	α-helix	trans	-71.6	-50.3	174.8	0	0	0	0	0	112.7	L269 V273 L604 Q605 E606 S610	L269-A608 HydrophobicContact CD1-CB 3.67Å; L269-A608 HydrophobicContact CD2-CB 3.5Å; L269-A608 VanDerWaalsContact CD2-CB 3.5Å; L269-A608 HydrophobicContact CG-CB 3.43Å; L269-A608 VanDerWaalsContact CG-CB 3.43Å; V273-A608 HydrophobicContact CG2-CB 3.99Å; L604-A608 WeakPolarHBondContact O-CB 3.43Å; L604-A608 PolarHBondContact O-N 2.96Å; Q605-A608 PolarHBondContact O-N 2.92Å; E606-A608 VanDerWaalsContact C-N 3.28Å; E606-A608 PolarHBondContact O-N 3.44Å; A608-S610 PolarHBondContact O-N 3.1Å
609	C	63.9	Low	80.2	Confident	54 Å²	54	30.4 Å²	30.4	37%	0.365	17%	0.166	S	C	.	.	H	α-helix	trans	-69.4	-17	177	-68.8	0	0	0	0	112.8	Q605 E606 I611	Q605-C609 VanDerWaalsContact O-CB 3.3Å; Q605-C609 WeakPolarHBondContact O-CB 3.21Å; Q605-C609 PolarHBondContact O-N 2.88Å; Q605-C609 PolarHBondContact O-SG 2.93Å; Q605-C609 VanDerWaalsContact O-SG 3.35Å; E606-C609 PolarHBondContact O-N 2.83Å; C609-I611 PolarHBondContact O-N 2.88Å
610	S	63.6	Low	80.5	Confident	12 Å²	12	30.8 Å²	30.8	8%	0.084	17%	0.168	C	C	.	.	S	Bend	trans	-65.3	117	167	75.8	0	0	0	0	109.8	R276 Y360 E606 A607 A608	R276-S610 PolarHBondContact NH1-O 3.26Å; Y360-S610 WeakPolarHBondContact OH-CA 3.47Å; Y360-S610 WeakPolarHBondContact OH-CB 3.39Å; E606-S610 WeakPolarHBondContact O-CB 3.29Å; E606-S610 PolarHBondContact O-N 2.72Å; A607-S610 PolarHBondContact O-OG 3.07Å; A608-S610 PolarHBondContact O-N 3.1Å
611	I	61.5	Low	80.9	Confident	38 Å²	38	34.1 Å²	34.1	20%	0.195	18%	0.179	C	C	.	.			trans	-53.6	146.7	169.8	-56.1	173.3	0	0	0	107.8	Y360 F367 C609 Q613 G614	Y360-I611 HydrophobicContact CE2-CB 4.42Å; F367-I611 HydrophobicContact CD2-CD1 4.06Å; F367-I611 HydrophobicContact CE2-CD1 3.8Å; C609-I611 PolarHBondContact O-N 2.88Å; I611-Q613 HydrophobicContact CB-CB 4.44Å; I611-Q613 HydrophobicContact CG2-CB 4.09Å; I611-Q613 HydrophobicContact CG2-CG 3.83Å; I611-Q613 PolarHBondContact O-N 3.1Å; I611-G614 PolarHBondContact O-N 3.35Å
612	P	65.9	Low	81.3	Confident	69 Å²	69	34.4 Å²	34.4	45%	0.448	18%	0.181	S	C	.	.	H	α-helix	trans	-46.7	-25.9	175.4	-32.5	36.2	0	0	0	115.2	G614 H616	P612-G614 VanDerWaalsContact C-N 3.34Å; P612-G614 PolarHBondContact O-N 2.96Å; P612-H616 PolarHBondContact O-CD2 3.43Å; P612-H616 VanDerWaalsContact O-CD2 3.3Å
613	Q	74.7	Confident	81.9	Confident	96 Å²	96	34.4 Å²	34.4	45%	0.449	18%	0.181	S	C	.	.	H	α-helix	trans	-55.3	-39.1	170.7	-62.7	177.1	16.4	0	0	114.3	I611 L615 H616 L617	I611-Q613 HydrophobicContact CB-CB 4.44Å; I611-Q613 HydrophobicContact CG2-CB 4.09Å; I611-Q613 HydrophobicContact CG2-CG 3.83Å; I611-Q613 PolarHBondContact O-N 3.1Å; Q613-L615 VanDerWaalsContact C-N 3.26Å; Q613-L615 PolarHBondContact O-N 2.94Å; Q613-H616 CarbonylContact O-C 3.41Å; Q613-H616 WeakPolarHBondContact O-CA 3.35Å; Q613-H616 WeakPolarHBondContact O-CB 3.43Å; Q613-H616 PolarHBondContact O-N 3.45Å; Q613-L617 WeakPolarHBondContact O-CG 3.45Å; Q613-L617 PolarHBondContact O-N 3.43Å
614	G	78.9	Confident	82.5	Confident	14 Å²	14	32.6 Å²	32.6	14%	0.144	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-38.2	-175.3	0	0	0	0	0	112.9	I611 P612 L617 Q618	I611-G614 PolarHBondContact O-N 3.35Å; P612-G614 VanDerWaalsContact C-N 3.34Å; P612-G614 PolarHBondContact O-N 2.96Å; G614-L617 PolarHBondContact O-N 3.34Å; G614-Q618 PolarHBondContact O-N 2.91Å
615	L	81.6	Confident	83.1	Confident	17 Å²	17	33.1 Å²	33.1	9%	0.089	17%	0.173	C	C	.	.	H	α-helix	trans	-70.9	-36.4	175.7	-71.6	177.7	0	0	0	112.6	R276 Y277 I280 Q613 Q618 Q619	R276-L615 HydrophobicContact CB-CD1 3.55Å; R276-L615 HydrophobicContact CG-CD1 4.38Å; Y277-L615 HydrophobicContact CE1-CD2 4.24Å; I280-L615 HydrophobicContact CD1-CB 3.55Å; I280-L615 HydrophobicContact CD1-CD1 4.12Å; I280-L615 HydrophobicContact CD1-CD2 3.65Å; I280-L615 HydrophobicContact CD1-CG 3.93Å; Q613-L615 VanDerWaalsContact C-N 3.26Å; Q613-L615 PolarHBondContact O-N 2.94Å; L615-Q618 PolarHBondContact O-N 2.82Å; L615-Q619 PolarHBondContact O-N 3.09Å
616	H	87.1	Confident	84.2	Confident	118 Å²	118	32.5 Å²	32.5	55%	0.546	17%	0.171	S	C	.	.	H	α-helix	trans	-67.3	-33.5	169.7	-68.7	-61.8	0	0	0	112.8	P612 Q613 Q619 R620	P612-H616 PolarHBondContact O-CD2 3.43Å; P612-H616 VanDerWaalsContact O-CD2 3.3Å; Q613-H616 CarbonylContact O-C 3.41Å; Q613-H616 WeakPolarHBondContact O-CA 3.35Å; Q613-H616 WeakPolarHBondContact O-CB 3.43Å; Q613-H616 PolarHBondContact O-N 3.45Å; H616-Q619 PolarHBondContact O-N 2.97Å; H616-R620 PolarHBondContact O-N 3.39Å
617	L	91.6	Very high	85.2	Confident	18 Å²	18	30.7 Å²	30.7	9%	0.094	16%	0.162	C	C	.	.	H	α-helix	trans	-69.9	-37	173.8	-63.5	-178	0	0	0	111.9	L356 L357 Y360 Q613 G614 R620 R621	L356-L617 HydrophobicContact CB-CD1 4.44Å; L356-L617 HydrophobicContact CB-CD2 3.54Å; L356-L617 HydrophobicContact CD1-CD2 3.97Å; L356-L617 HydrophobicContact CG-CD2 4.3Å; L357-L617 HydrophobicContact CD2-CB 4.33Å; L357-L617 HydrophobicContact CD2-CD1 4.34Å; Y360-L617 HydrophobicContact CD1-CD1 4.35Å; Y360-L617 HydrophobicContact CD2-CD1 4.32Å; Y360-L617 HydrophobicContact CG-CD1 3.83Å; Q613-L617 WeakPolarHBondContact O-CG 3.45Å; Q613-L617 PolarHBondContact O-N 3.43Å; G614-L617 PolarHBondContact O-N 3.34Å; L617-R620 PolarHBondContact O-N 3Å; L617-R621 WeakPolarHBondContact O-CB 3.41Å; L617-R621 PolarHBondContact O-N 3.49Å
618	Q	91.4	Very high	86.2	Confident	49 Å²	49	30 Å²	30	23%	0.229	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-46.9	169.4	-178.5	171.5	-36.4	0	0	110.9	G614 L615 R620 R621 D622	G614-Q618 PolarHBondContact O-N 2.91Å; L615-Q618 PolarHBondContact O-N 2.82Å; Q618-R620 VanDerWaalsContact C-N 3.34Å; Q618-R620 PolarHBondContact O-N 3.32Å; Q618-R621 WeakPolarHBondContact O-CB 3.21Å; Q618-R621 PolarHBondContact O-N 3.48Å; Q618-R621 VanDerWaalsContact O-N 3.08Å; Q618-D622 WeakPolarHBondContact O-CB 3.39Å; Q618-D622 VanDerWaalsContact O-CG 3.27Å; Q618-D622 PolarHBondContact O-N 3.21Å
619	Q	94.5	Very high	87.5	Confident	28 Å²	28	29.4 Å²	29.4	13%	0.131	15%	0.152	C	C	.	.	H	α-helix	trans	-58.5	-41.7	174.3	176	169.5	52.7	0	0	112.9	S283 Y284 L615 H616 R621 V623	S283-Q619 PolarHBondContact OG-NE2 3.36Å; Y284-Q619 HydrophobicContact CE1-CG 4.05Å; Y284-Q619 WeakPolarHBondContact OH-CA 3.48Å; L615-Q619 PolarHBondContact O-N 3.09Å; H616-Q619 PolarHBondContact O-N 2.97Å; Q619-R621 VanDerWaalsContact C-N 3.34Å; Q619-R621 PolarHBondContact O-N 3.33Å; Q619-V623 WeakPolarHBondContact O-CB 3.24Å; Q619-V623 VanDerWaalsContact O-CG2 3.29Å; Q619-V623 WeakPolarHBondContact O-CG2 3.38Å; Q619-V623 PolarHBondContact O-N 2.78Å
620	R	97.1	Very high	89.2	Confident	9 Å²	9	26.9 Å²	26.9	3%	0.034	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-40.6	173.6	-168	176.4	-177.6	114.3	6.6	112.2	A343 Q346 G347 F348 L353 H616 L617 Q618 V624 D678	A343-R620 HydrophobicContact CB-CG 3.72Å; Q346-R620 VanDerWaalsContact OE1-CB 3.3Å; G347-R620 PolarHBondContact O-NH1 3.42Å; G347-R620 PolarHBondContact O-NH2 2.93Å; G347-R620 VanDerWaalsContact O-NH2 3.16Å; F348-R620 VanDerWaalsContact CD1-NH2 3.33Å; L353-R620 HydrophobicContact CD1-CB 4.19Å; L353-R620 HydrophobicContact CD1-CG 4.22Å; H616-R620 PolarHBondContact O-N 3.39Å; L617-R620 PolarHBondContact O-N 3Å; Q618-R620 VanDerWaalsContact C-N 3.34Å; Q618-R620 PolarHBondContact O-N 3.32Å; R620-V624 VanDerWaalsContact O-CG2 3.23Å; R620-V624 WeakPolarHBondContact O-CG2 3.43Å; R620-V624 PolarHBondContact O-N 3.4Å; R620-V624 VanDerWaalsContact O-N 3.12Å; R620-D678 IonicContact CZ-OD1 3.66Å; R620-D678 VanDerWaalsContact CZ-OD1 3.32Å; R620-D678 IonicContact CZ-OD2 2.81Å; R620-D678 IonicContact NE-OD1 2.92Å; R620-D678 PolarHBondContact NE-OD1 3.31Å; R620-D678 IonicContact NE-OD2 2.82Å; R620-D678 VanDerWaalsContact NH2-CG 3.29Å; R620-D678 IonicContact NH2-OD1 2.75Å; R620-D678 PolarHBondContact NH2-OD1 2.94Å; R620-D678 IonicContact NH2-OD2 3.27Å; R620-D678 PolarHBondContact NH2-OD2 2.8Å
621	R	97.5	Very high	90.8	Very high	76 Å²	76	26.3 Å²	26.3	29%	0.287	13%	0.131	S	C	.	.	H	α-helix	trans	-67	-46.9	177.2	-169.7	176.2	-169	164.9	5.6	112	L353 L617 Q618 Q619 V623 V624 F625 D685	L353-R621 HydrophobicContact CD1-CB 4.43Å; L353-R621 HydrophobicContact CD2-CB 3.81Å; L353-R621 HydrophobicContact CD2-CG 4.04Å; L617-R621 WeakPolarHBondContact O-CB 3.41Å; L617-R621 PolarHBondContact O-N 3.49Å; Q618-R621 WeakPolarHBondContact O-CB 3.21Å; Q618-R621 PolarHBondContact O-N 3.48Å; Q618-R621 VanDerWaalsContact O-N 3.08Å; Q619-R621 VanDerWaalsContact C-N 3.34Å; Q619-R621 PolarHBondContact O-N 3.33Å; R621-V623 VanDerWaalsContact C-N 3.32Å; R621-V623 PolarHBondContact O-N 3.24Å; R621-V624 PolarHBondContact O-N 3.41Å; R621-F625 WeakPolarHBondContact O-CB 3.25Å; R621-F625 PolarHBondContact O-N 3.48Å; R621-D685 IonicContact CZ-OD1 2.77Å; R621-D685 IonicContact CZ-OD2 3.54Å; R621-D685 VanDerWaalsContact CZ-OD2 3.25Å; R621-D685 IonicContact NE-OD1 2.79Å; R621-D685 IonicContact NE-OD2 3.5Å; R621-D685 PolarHBondContact NE-OD2 2.67Å; R621-D685 IonicContact NH2-OD1 3.17Å; R621-D685 PolarHBondContact NH2-OD1 2.84Å; R621-D685 IonicContact NH2-OD2 3.42Å; R621-D685 PolarHBondContact NH2-OD2 2.87Å
622	D	98.1	Very high	92.6	Very high	7 Å²	7	24.6 Å²	24.6	4%	0.037	12%	0.122	C	C	.	.	H	α-helix	trans	-57.8	-43.1	176.2	-71.4	-11.8	0	0	0	111	Y245 Y284 F311 Q618 S626 R712	Y245-D622 HydrophobicContact CD2-CB 4.15Å; Y245-D622 HydrophobicContact CE2-CB 3.63Å; Y284-D622 PolarHBondContact OH-OD2 3.27Å; F311-D622 HydrophobicContact CE1-CB 4.11Å; Q618-D622 WeakPolarHBondContact O-CB 3.39Å; Q618-D622 VanDerWaalsContact O-CG 3.27Å; Q618-D622 PolarHBondContact O-N 3.21Å; D622-S626 WeakPolarHBondContact O-CB 3.44Å; D622-S626 PolarHBondContact O-N 3.4Å; D622-R712 IonicContact OD1-CZ 3.78Å; D622-R712 IonicContact OD1-NE 3.67Å; D622-R712 PolarHBondContact OD1-NE 3.32Å; D622-R712 IonicContact OD2-CZ 3.67Å; D622-R712 IonicContact OD2-NE 2.94Å; D622-R712 PolarHBondContact OD2-NE 3.22Å; D622-R712 IonicContact OD2-NH2 2.97Å; D622-R712 PolarHBondContact OD2-NH2 2.73Å
623	V	98.5	Very high	94.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58	-54	173.2	158.7	0	0	0	0	112	E310 F311 A343 Q619 R621 S626 Q627	E310-V623 HydrophobicContact CG-CB 4.38Å; E310-V623 HydrophobicContact CG-CG1 3.61Å; E310-V623 HydrophobicContact CG-CG2 3.78Å; F311-V623 HydrophobicContact CD1-CG2 4.16Å; F311-V623 HydrophobicContact CD2-CG2 3.86Å; F311-V623 HydrophobicContact CE1-CG2 3.85Å; F311-V623 HydrophobicContact CE2-CG2 3.53Å; F311-V623 HydrophobicContact CG-CG2 4.15Å; F311-V623 HydrophobicContact CZ-CG2 3.52Å; A343-V623 HydrophobicContact CB-CG1 4.12Å; Q619-V623 WeakPolarHBondContact O-CB 3.24Å; Q619-V623 VanDerWaalsContact O-CG2 3.29Å; Q619-V623 WeakPolarHBondContact O-CG2 3.38Å; Q619-V623 PolarHBondContact O-N 2.78Å; R621-V623 VanDerWaalsContact C-N 3.32Å; R621-V623 PolarHBondContact O-N 3.24Å; V623-S626 WeakPolarHBondContact O-CB 3.45Å; V623-S626 PolarHBondContact O-N 2.78Å; V623-Q627 WeakPolarHBondContact O-CG 3.36Å; V623-Q627 PolarHBondContact O-N 3.17Å; V623-Q627 VanDerWaalsContact O-N 3.15Å
624	V	98.4	Very high	95.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-70.5	-39.6	-173.2	175.6	0	0	0	0	110.5	P341 A343 R620 R621 Q627 A628 D678	P341-V624 HydrophobicContact CB-CG1 3.73Å; A343-V624 HydrophobicContact CB-CG2 4.42Å; R620-V624 VanDerWaalsContact O-CG2 3.23Å; R620-V624 WeakPolarHBondContact O-CG2 3.43Å; R620-V624 PolarHBondContact O-N 3.4Å; R620-V624 VanDerWaalsContact O-N 3.12Å; R621-V624 PolarHBondContact O-N 3.41Å; V624-Q627 PolarHBondContact O-N 3.04Å; V624-A628 WeakPolarHBondContact O-CB 3.25Å; V624-A628 PolarHBondContact O-N 2.75Å; V624-D678 HydrophobicContact CG1-CB 4.16Å; V624-D678 WeakPolarHBondContact CG1-O 3.31Å; V624-D678 HydrophobicContact CG2-CB 3.88Å
625	F	98.8	Very high	96.2	Very high	12 Å²	12	16.1 Å²	16.1	5%	0.053	7%	0.073	C	C	.	.	H	α-helix	trans	-62.1	-42.9	173.1	179.9	-94.7	0	0	0	111.7	L241 Y245 R621 Q627 A628 L629 D685 L686 V689 F715	L241-F625 HydrophobicContact CD1-CD1 4.34Å; L241-F625 HydrophobicContact CD1-CE1 4.45Å; L241-F625 HydrophobicContact CD2-CE1 4.26Å; Y245-F625 WeakPolarHBondContact OH-CD1 3.22Å; R621-F625 WeakPolarHBondContact O-CB 3.25Å; R621-F625 PolarHBondContact O-N 3.48Å; F625-Q627 PolarHBondContact O-N 3.25Å; F625-A628 CarbonylContact O-C 3.59Å; F625-A628 PolarHBondContact O-N 3.02Å; F625-A628 VanDerWaalsContact O-N 3.13Å; F625-L629 HydrophobicContact CE1-CB 4.23Å; F625-L629 HydrophobicContact CE1-CD2 3.9Å; F625-L629 HydrophobicContact CZ-CB 4.43Å; F625-L629 HydrophobicContact CZ-CD2 4.21Å; F625-L629 WeakPolarHBondContact O-CB 3.38Å; F625-L629 PolarHBondContact O-N 2.88Å; F625-D685 HydrophobicContact CD2-CB 3.77Å; F625-D685 HydrophobicContact CE2-CB 4.18Å; F625-L686 HydrophobicContact CE2-CD2 4.12Å; F625-V689 HydrophobicContact CE2-CG2 4.03Å; F625-V689 HydrophobicContact CZ-CG2 3.73Å; F625-F715 HydrophobicContact CD1-CE2 4.34Å; F625-F715 AromaticContact CE1-CD2 3.49Å; F625-F715 HydrophobicContact CE1-CD2 3.49Å; F625-F715 VanDerWaalsContact CE1-CD2 3.49Å; F625-F715 AromaticContact CE1-CE2 3.54Å; F625-F715 HydrophobicContact CE1-CE2 3.54Å; F625-F715 AromaticContact CZ-CD2 3.59Å; F625-F715 HydrophobicContact CZ-CD2 3.59Å; F625-F715 HydrophobicContact CZ-CE2 4.05Å
626	S	98.7	Very high	96.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57.5	-46.4	175.4	171.6	0	0	0	0	112.7	P238 F311 D622 V623 A628 A630	P238-S626 WeakPolarHBondContact CB-OG 3.29Å; P238-S626 WeakPolarHBondContact CG-OG 3.33Å; F311-S626 PolarHBondContact O-OG 3.05Å; D622-S626 WeakPolarHBondContact O-CB 3.44Å; D622-S626 PolarHBondContact O-N 3.4Å; V623-S626 WeakPolarHBondContact O-CB 3.45Å; V623-S626 PolarHBondContact O-N 2.78Å; S626-A628 VanDerWaalsContact C-N 3.33Å; S626-A628 PolarHBondContact O-N 3.47Å; S626-A630 WeakPolarHBondContact O-CB 3.23Å; S626-A630 PolarHBondContact O-N 3.29Å; S626-A630 VanDerWaalsContact O-N 3.11Å
627	Q	98.8	Very high	97.4	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-62.5	-40.1	175.4	-63.7	177.6	22.7	0	0	111.8	E310 P313 P341 A342 V623 V624 F625 A631	E310-Q627 PolarHBondContact O-NE2 3.47Å; P313-Q627 HydrophobicContact CB-CB 4.16Å; P341-Q627 VanDerWaalsContact CA-OE1 3.29Å; P341-Q627 HydrophobicContact CB-CB 4.16Å; A342-Q627 PolarHBondContact O-NE2 2.89Å; A342-Q627 PolarHBondContact O-OE1 3.16Å; V623-Q627 WeakPolarHBondContact O-CG 3.36Å; V623-Q627 PolarHBondContact O-N 3.17Å; V623-Q627 VanDerWaalsContact O-N 3.15Å; V624-Q627 PolarHBondContact O-N 3.04Å; F625-Q627 PolarHBondContact O-N 3.25Å; Q627-A631 PolarHBondContact O-N 3.41Å
628	A	98.8	Very high	97.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-70.6	-41.9	179.7	0	0	0	0	0	112.9	P341 V624 F625 S626 A631 L632 L686	P341-A628 HydrophobicContact CB-CB 4.25Å; P341-A628 HydrophobicContact CG-CB 4.01Å; V624-A628 WeakPolarHBondContact O-CB 3.25Å; V624-A628 PolarHBondContact O-N 2.75Å; F625-A628 CarbonylContact O-C 3.59Å; F625-A628 PolarHBondContact O-N 3.02Å; F625-A628 VanDerWaalsContact O-N 3.13Å; S626-A628 VanDerWaalsContact C-N 3.33Å; S626-A628 PolarHBondContact O-N 3.47Å; A628-A631 PolarHBondContact O-N 3.28Å; A628-L632 PolarHBondContact O-N 2.86Å; A628-L686 HydrophobicContact CB-CD1 4.13Å; A628-L686 HydrophobicContact CB-CD2 4.08Å; A628-L686 HydrophobicContact CB-CG 4.23Å
629	L	98.8	Very high	97.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-68.5	-42	-179.9	-178.4	58.2	0	0	0	111.5	I237 L241 F625 A631 L632 A633 L686 V689 V708 V717	I237-L629 HydrophobicContact CG2-CB 4.34Å; I237-L629 HydrophobicContact CG2-CD2 4.08Å; I237-L629 HydrophobicContact CG2-CG 3.95Å; L241-L629 HydrophobicContact CD1-CD2 4.05Å; L241-L629 HydrophobicContact CD2-CD2 4.04Å; L241-L629 HydrophobicContact CG-CD2 4.35Å; F625-L629 HydrophobicContact CE1-CB 4.23Å; F625-L629 HydrophobicContact CE1-CD2 3.9Å; F625-L629 HydrophobicContact CZ-CB 4.43Å; F625-L629 HydrophobicContact CZ-CD2 4.21Å; F625-L629 WeakPolarHBondContact O-CB 3.38Å; F625-L629 PolarHBondContact O-N 2.88Å; L629-A631 VanDerWaalsContact C-N 3.26Å; L629-A631 PolarHBondContact O-N 3.01Å; L629-L632 PolarHBondContact O-N 3.39Å; L629-L632 VanDerWaalsContact O-N 3.14Å; L629-A633 WeakPolarHBondContact O-CB 3.36Å; L629-A633 PolarHBondContact O-N 3Å; L629-L686 HydrophobicContact CB-CD2 4.2Å; L629-L686 HydrophobicContact CD1-CD2 4.35Å; L629-V689 HydrophobicContact CD1-CB 4.41Å; L629-V689 HydrophobicContact CD1-CG1 3.71Å; L629-V689 HydrophobicContact CD1-CG2 3.88Å; L629-V708 HydrophobicContact CD2-CG1 4.32Å; L629-V717 HydrophobicContact CD1-CG2 3.94Å; L629-V717 HydrophobicContact CD2-CG2 4.46Å
630	A	98.6	Very high	97.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-59.6	-38.1	175.2	0	0	0	0	0	111.9	I237 P238 P313 S626 C634	I237-A630 HydrophobicContact CB-CB 4.06Å; I237-A630 HydrophobicContact CG2-CB 4.15Å; P238-A630 HydrophobicContact CG-CB 4.45Å; P313-A630 HydrophobicContact CG-CB 3.8Å; S626-A630 WeakPolarHBondContact O-CB 3.23Å; S626-A630 PolarHBondContact O-N 3.29Å; S626-A630 VanDerWaalsContact O-N 3.11Å; A630-C634 VanDerWaalsContact O-CB 3.31Å; A630-C634 WeakPolarHBondContact O-CB 3.48Å; A630-C634 PolarHBondContact O-N 2.68Å
631	A	98.6	Very high	97	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-67.3	-47.8	171.4	0	0	0	0	0	111.8	L316 V338 Q627 A628 L629 A633 C634 G635 F839	L316-A631 HydrophobicContact CD1-CB 4.11Å; V338-A631 HydrophobicContact CB-CB 4.37Å; V338-A631 HydrophobicContact CG1-CB 4.09Å; V338-A631 HydrophobicContact CG2-CB 4.2Å; Q627-A631 PolarHBondContact O-N 3.41Å; A628-A631 PolarHBondContact O-N 3.28Å; L629-A631 VanDerWaalsContact C-N 3.26Å; L629-A631 PolarHBondContact O-N 3.01Å; A631-A633 PolarHBondContact O-N 3.42Å; A631-C634 WeakPolarHBondContact O-CB 3.47Å; A631-C634 PolarHBondContact O-N 3.39Å; A631-G635 PolarHBondContact O-N 3.44Å; A631-F839 HydrophobicContact CB-CE1 4.2Å; A631-F839 VanDerWaalsContact O-CE1 3.22Å; A631-F839 WeakPolarHBondContact O-CE1 3.23Å
632	L	98.8	Very high	96.5	Very high	2 Å²	2	6 Å²	6	1%	0.01	3%	0.034	C	C	.	.	H	α-helix	trans	-59	-46.7	-179.4	-171.3	68.5	0	0	0	112.1	A628 L629 C634 G635 F636 A660 F662 L686 F691 V741 F839	A628-L632 PolarHBondContact O-N 2.86Å; L629-L632 PolarHBondContact O-N 3.39Å; L629-L632 VanDerWaalsContact O-N 3.14Å; L632-C634 PolarHBondContact O-N 2.88Å; L632-G635 PolarHBondContact O-N 2.95Å; L632-F636 WeakPolarHBondContact O-CB 3.45Å; L632-F636 PolarHBondContact O-N 2.96Å; L632-A660 HydrophobicContact CD1-CB 3.67Å; L632-F662 HydrophobicContact CD1-CZ 4.36Å; L632-L686 HydrophobicContact CB-CD1 4.16Å; L632-L686 HydrophobicContact CB-CD2 4.31Å; L632-L686 HydrophobicContact CD1-CD1 4.43Å; L632-L686 HydrophobicContact CD2-CB 4.11Å; L632-L686 HydrophobicContact CD2-CD1 4.14Å; L632-L686 HydrophobicContact CD2-CD2 4.03Å; L632-L686 HydrophobicContact CD2-CG 4.31Å; L632-L686 HydrophobicContact CG-CD1 4.48Å; L632-F691 HydrophobicContact CD2-CE2 3.83Å; L632-F691 HydrophobicContact CD2-CZ 4.07Å; L632-F691 HydrophobicContact CG-CE2 4.17Å; L632-F691 HydrophobicContact CG-CZ 4.03Å; L632-V741 HydrophobicContact CD1-CG1 3.95Å; L632-F839 HydrophobicContact CD1-CE2 4.35Å; L632-F839 HydrophobicContact CD1-CZ 4.27Å
633	A	98.5	Very high	96.1	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-62.3	-42.2	178.2	0	0	0	0	0	111.7	L233 I237 L629 A631 G635 F636 V637 F691 V717	L233-A633 HydrophobicContact CD1-CB 3.88Å; I237-A633 HydrophobicContact CD1-CB 4.37Å; I237-A633 HydrophobicContact CG1-CB 4.4Å; L629-A633 WeakPolarHBondContact O-CB 3.36Å; L629-A633 PolarHBondContact O-N 3Å; A631-A633 PolarHBondContact O-N 3.42Å; A633-G635 PolarHBondContact O-N 3.47Å; A633-F636 PolarHBondContact O-N 3.41Å; A633-V637 WeakPolarHBondContact O-CB 3.46Å; A633-V637 VanDerWaalsContact O-CG2 3.3Å; A633-V637 WeakPolarHBondContact O-CG2 3.37Å; A633-V637 PolarHBondContact O-N 2.99Å; A633-F691 HydrophobicContact CB-CE1 4.32Å; A633-V717 HydrophobicContact CB-CG1 4.41Å
634	C	97.6	Very high	95.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-54.9	-48.7	172.4	170.6	0	0	0	0	111.9	C231 L316 A630 A631 L632 M638	C231-C634 HydrophobicContact CB-CB 4.27Å; C231-C634 VanDerWaalsContact CB-SG 3.58Å; C231-C634 VanDerWaalsContact SG-CB 3.5Å; C231-C634 PolarHBondContact SG-SG 3.26Å; L316-C634 HydrophobicContact CD1-CB 4.33Å; L316-C634 HydrophobicContact CD2-CB 4.12Å; A630-C634 VanDerWaalsContact O-CB 3.31Å; A630-C634 WeakPolarHBondContact O-CB 3.48Å; A630-C634 PolarHBondContact O-N 2.68Å; A631-C634 WeakPolarHBondContact O-CB 3.47Å; A631-C634 PolarHBondContact O-N 3.39Å; L632-C634 PolarHBondContact O-N 2.88Å; C634-M638 WeakPolarHBondContact O-CB 3.46Å; C634-M638 PolarHBondContact O-N 3.41Å; C634-M638 VanDerWaalsContact O-N 3.15Å
635	G	97.8	Very high	95.1	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-70	-35.9	178.3	0	0	0	0	0	114.5	A631 L632 A633 R639	A631-G635 PolarHBondContact O-N 3.44Å; L632-G635 PolarHBondContact O-N 2.95Å; A633-G635 PolarHBondContact O-N 3.47Å; G635-R639 WeakPolarHBondContact O-CB 3.33Å; G635-R639 PolarHBondContact O-N 3.08Å
636	F	98.1	Very high	94.6	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-66	-48.7	177.2	-176.5	-87.6	0	0	0	111.2	L632 A633 M638 R639 L640 L653 L658 F691 V719 L739 V741 I837	L632-F636 WeakPolarHBondContact O-CB 3.45Å; L632-F636 PolarHBondContact O-N 2.96Å; A633-F636 PolarHBondContact O-N 3.41Å; F636-M638 VanDerWaalsContact C-N 3.34Å; F636-M638 PolarHBondContact O-N 2.76Å; F636-R639 PolarHBondContact O-N 3.49Å; F636-L640 HydrophobicContact CE1-CB 4.41Å; F636-L640 HydrophobicContact CE1-CD2 4.12Å; F636-L640 VanDerWaalsContact O-CB 3.23Å; F636-L640 WeakPolarHBondContact O-CB 3.37Å; F636-L640 PolarHBondContact O-N 3.27Å; F636-L653 HydrophobicContact CE2-CD1 4.02Å; F636-L653 HydrophobicContact CZ-CD1 4.25Å; F636-L658 HydrophobicContact CD2-CD1 4.45Å; F636-L658 HydrophobicContact CE2-CD1 4.38Å; F636-F691 HydrophobicContact CB-CD1 4.1Å; F636-F691 HydrophobicContact CB-CE1 3.59Å; F636-F691 HydrophobicContact CB-CE2 4.32Å; F636-F691 HydrophobicContact CB-CZ 3.72Å; F636-F691 HydrophobicContact CD1-CB 4.28Å; F636-F691 AromaticContact CD1-CD1 3.27Å; F636-F691 HydrophobicContact CD1-CD1 3.27Å; F636-F691 AromaticContact CD1-CE1 3.66Å; F636-F691 HydrophobicContact CD1-CE1 3.66Å; F636-F691 AromaticContact CD1-CG 3.81Å; F636-F691 HydrophobicContact CD1-CG 3.81Å; F636-F691 HydrophobicContact CD1-CZ 4.46Å; F636-F691 HydrophobicContact CD2-CB 4.38Å; F636-F691 AromaticContact CD2-CD1 4Å; F636-F691 HydrophobicContact CD2-CD1 4Å; F636-F691 AromaticContact CD2-CD2 3.84Å; F636-F691 HydrophobicContact CD2-CD2 3.84Å; F636-F691 HydrophobicContact CD2-CE1 4.23Å; F636-F691 HydrophobicContact CD2-CE2 4.09Å; F636-F691 AromaticContact CD2-CG 3.8Å; F636-F691 HydrophobicContact CD2-CG 3.8Å; F636-F691 HydrophobicContact CD2-CZ 4.28Å; F636-F691 HydrophobicContact CE1-CB 3.73Å; F636-F691 AromaticContact CE1-CD1 3.59Å; F636-F691 HydrophobicContact CE1-CD1 3.59Å; F636-F691 HydrophobicContact CE1-CE1 4.41Å; F636-F691 AromaticContact CE1-CG 3.78Å; F636-F691 HydrophobicContact CE1-CG 3.78Å; F636-F691 HydrophobicContact CE2-CB 3.84Å; F636-F691 HydrophobicContact CE2-CD1 4.26Å; F636-F691 HydrophobicContact CE2-CD2 4.02Å; F636-F691 AromaticContact CE2-CG 3.77Å; F636-F691 HydrophobicContact CE2-CG 3.77Å; F636-F691 AromaticContact CG-CD1 3.5Å; F636-F691 HydrophobicContact CG-CD1 3.5Å; F636-F691 HydrophobicContact CG-CD2 4.14Å; F636-F691 AromaticContact CG-CE1 3.55Å; F636-F691 HydrophobicContact CG-CE1 3.55Å; F636-F691 HydrophobicContact CG-CE2 4.18Å; F636-F691 AromaticContact CG-CG 3.81Å; F636-F691 HydrophobicContact CG-CG 3.81Å; F636-F691 AromaticContact CG-CZ 3.9Å; F636-F691 HydrophobicContact CG-CZ 3.9Å; F636-F691 HydrophobicContact CZ-CB 3.49Å; F636-F691 VanDerWaalsContact CZ-CB 3.49Å; F636-F691 HydrophobicContact CZ-CD1 4.08Å; F636-F691 HydrophobicContact CZ-CD2 4.47Å; F636-F691 AromaticContact CZ-CG 3.77Å; F636-F691 HydrophobicContact CZ-CG 3.77Å; F636-V719 HydrophobicContact CD1-CG2 4.13Å; F636-V719 HydrophobicContact CE1-CG2 4.14Å; F636-L739 HydrophobicContact CZ-CB 4.48Å; F636-L739 HydrophobicContact CZ-CD1 4.06Å; F636-V741 HydrophobicContact CD2-CG2 3.8Å; F636-V741 HydrophobicContact CE2-CG2 4.12Å; F636-I837 HydrophobicContact CB-CD1 4.2Å; F636-I837 HydrophobicContact CD2-CD1 4.36Å
637	V	95.7	Very high	94.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.7	-46.3	176.7	172.7	0	0	0	0	110.6	V203 F204 L233 A633 R639 L640 Y641 P706 V719	V203-V637 HydrophobicContact CB-CG1 4.45Å; V203-V637 HydrophobicContact CG1-CG1 4.18Å; V203-V637 HydrophobicContact CG2-CG1 4.26Å; F204-V637 HydrophobicContact CE2-CG1 4.06Å; F204-V637 HydrophobicContact CZ-CG1 4.31Å; L233-V637 HydrophobicContact CD1-CG2 4.38Å; A633-V637 WeakPolarHBondContact O-CB 3.46Å; A633-V637 VanDerWaalsContact O-CG2 3.3Å; A633-V637 WeakPolarHBondContact O-CG2 3.37Å; A633-V637 PolarHBondContact O-N 2.99Å; V637-R639 PolarHBondContact O-N 3.01Å; V637-L640 PolarHBondContact O-N 2.87Å; V637-Y641 HydrophobicContact CG1-CD2 3.89Å; V637-Y641 HydrophobicContact CG1-CE1 4.08Å; V637-Y641 HydrophobicContact CG1-CE2 3.41Å; V637-Y641 VanDerWaalsContact CG1-CE2 3.41Å; V637-Y641 HydrophobicContact CG1-CG 4.45Å; V637-Y641 VanDerWaalsContact O-CG 3.31Å; V637-Y641 PolarHBondContact O-N 2.83Å; V637-P706 HydrophobicContact CG2-CG 3.88Å; V637-V719 HydrophobicContact CG2-CG1 4.07Å; V637-V719 HydrophobicContact CG2-CG2 4.21Å
638	M	91.9	Very high	94	Very high	6 Å²	6	28 Å²	28	3%	0.03	14%	0.139	C	C	.	.	H	α-helix	trans	-63	-44.3	179.2	-168.4	73.4	-84.5	0	0	112.4	T200 F204 T318 R320 I336 C634 F636 A642	T200-M638 HydrophobicContact CG2-CE 3.91Å; F204-M638 HydrophobicContact CD2-SD 4.34Å; F204-M638 HydrophobicContact CE2-CB 4.34Å; F204-M638 HydrophobicContact CE2-CE 4.32Å; F204-M638 HydrophobicContact CE2-SD 3.9Å; F204-M638 HydrophobicContact CZ-CB 3.92Å; F204-M638 HydrophobicContact CZ-SD 4.13Å; T318-M638 HydrophobicContact CG2-CG 4.45Å; T318-M638 HydrophobicContact CG2-SD 4.25Å; R320-M638 VanDerWaalsContact NH2-CE 3.34Å; I336-M638 HydrophobicContact CD1-CB 4.4Å; C634-M638 WeakPolarHBondContact O-CB 3.46Å; C634-M638 PolarHBondContact O-N 3.41Å; C634-M638 VanDerWaalsContact O-N 3.15Å; F636-M638 VanDerWaalsContact C-N 3.34Å; F636-M638 PolarHBondContact O-N 2.76Å; M638-A642 WeakPolarHBondContact O-CB 3.49Å; M638-A642 PolarHBondContact O-N 3.1Å; M638-A642 VanDerWaalsContact O-N 3.12Å
639	R	94.4	Very high	93.8	Very high	40 Å²	40	28 Å²	28	15%	0.151	14%	0.139	C	C	.	.	H	α-helix	trans	-69.8	-35.8	178.7	-179.5	62.1	-162.8	106.3	-16.9	112.5	G635 F636 V637 A642 G643 F649 L658 N835 I837	G635-R639 WeakPolarHBondContact O-CB 3.33Å; G635-R639 PolarHBondContact O-N 3.08Å; F636-R639 PolarHBondContact O-N 3.49Å; V637-R639 PolarHBondContact O-N 3.01Å; R639-A642 PolarHBondContact NH1-O 2.95Å; R639-G643 PolarHBondContact O-N 2.92Å; R639-F649 HydrophobicContact CG-CE2 3.83Å; R639-F649 HydrophobicContact CG-CZ 3.97Å; R639-F649 VanDerWaalsContact CZ-CD2 3.41Å; R639-F649 VanDerWaalsContact CZ-CE2 3.41Å; R639-F649 VanDerWaalsContact NH2-CD2 3.26Å; R639-L658 HydrophobicContact CG-CD1 4.13Å; R639-N835 PolarHBondContact NE-O 3.17Å; R639-N835 VanDerWaalsContact NE-O 3.08Å; R639-N835 PolarHBondContact NH2-OD1 3.15Å; R639-I837 HydrophobicContact CB-CG1 4.01Å; R639-I837 HydrophobicContact CG-CG1 4.23Å
640	L	93.7	Very high	93.6	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-60.6	-55.4	175.1	173.8	60.5	0	0	0	110	F636 V637 A642 G643 L644 F649 L653 I693 V719	F636-L640 HydrophobicContact CE1-CB 4.41Å; F636-L640 HydrophobicContact CE1-CD2 4.12Å; F636-L640 VanDerWaalsContact O-CB 3.23Å; F636-L640 WeakPolarHBondContact O-CB 3.37Å; F636-L640 PolarHBondContact O-N 3.27Å; V637-L640 PolarHBondContact O-N 2.87Å; L640-A642 VanDerWaalsContact C-N 3.31Å; L640-A642 PolarHBondContact O-N 3.43Å; L640-G643 CarbonylContact O-C 3.56Å; L640-G643 WeakPolarHBondContact O-CA 3.34Å; L640-G643 PolarHBondContact O-N 3.42Å; L640-L644 HydrophobicContact CD1-CD2 3.94Å; L640-L644 HydrophobicContact CG-CD2 4.2Å; L640-L644 WeakPolarHBondContact O-CG 3.45Å; L640-L644 PolarHBondContact O-N 2.88Å; L640-F649 HydrophobicContact CD1-CE1 4.49Å; L640-L653 HydrophobicContact CD1-CD2 4.06Å; L640-I693 HydrophobicContact CD1-CD1 3.59Å; L640-I693 HydrophobicContact CD2-CD1 3.7Å; L640-I693 HydrophobicContact CD2-CG1 3.93Å; L640-I693 HydrophobicContact CG-CD1 4.31Å; L640-V719 HydrophobicContact CD2-CG1 3.95Å
641	Y	87.5	Confident	93.3	Very high	12 Å²	12	33.1 Å²	33.1	5%	0.047	16%	0.159	C	C	.	.	H	α-helix	trans	-58.5	-43.6	-179.2	-65.3	-9.9	0	0	0	111.8	L199 T200 V637 G643 L644 L721	L199-Y641 WeakPolarHBondContact O-CE2 3.48Å; T200-Y641 HydrophobicContact CG2-CD2 3.73Å; T200-Y641 HydrophobicContact CG2-CE2 4.32Å; V637-Y641 HydrophobicContact CG1-CD2 3.89Å; V637-Y641 HydrophobicContact CG1-CE1 4.08Å; V637-Y641 HydrophobicContact CG1-CE2 3.41Å; V637-Y641 VanDerWaalsContact CG1-CE2 3.41Å; V637-Y641 HydrophobicContact CG1-CG 4.45Å; V637-Y641 VanDerWaalsContact O-CG 3.31Å; V637-Y641 PolarHBondContact O-N 2.83Å; Y641-G643 PolarHBondContact O-N 2.9Å; Y641-L644 HydrophobicContact CD1-CD1 4.04Å; Y641-L644 PolarHBondContact O-N 3.2Å; Y641-L721 HydrophobicContact CD1-CD2 4.23Å; Y641-L721 HydrophobicContact CE1-CD2 3.58Å
642	A	86.8	Confident	93.1	Very high	43 Å²	43	33.1 Å²	33.1	36%	0.355	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-5.9	173.6	0	0	0	0	0	115	M638 R639 L640	M638-A642 WeakPolarHBondContact O-CB 3.49Å; M638-A642 PolarHBondContact O-N 3.1Å; M638-A642 VanDerWaalsContact O-N 3.12Å; R639-A642 PolarHBondContact NH1-O 2.95Å; L640-A642 VanDerWaalsContact C-N 3.31Å; L640-A642 PolarHBondContact O-N 3.43Å
643	G	89.6	Confident	92.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.01	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	3.3	-178.7	0	0	0	0	0	114.9	R639 L640 Y641 Q645 D646 F649	R639-G643 PolarHBondContact O-N 2.92Å; L640-G643 CarbonylContact O-C 3.56Å; L640-G643 WeakPolarHBondContact O-CA 3.34Å; L640-G643 PolarHBondContact O-N 3.42Å; Y641-G643 PolarHBondContact O-N 2.9Å; G643-Q645 PolarHBondContact O-N 3.04Å; G643-D646 PolarHBondContact O-N 3.22Å; G643-F649 WeakPolarHBondContact O-CD1 3.36Å
644	L	89	Confident	92.7	Very high	20 Å²	20	35.1 Å²	35.1	11%	0.105	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.6	-176.6	-76.7	170.7	0	0	0	113.6	L640 Y641 L721 I725 L729	L640-L644 HydrophobicContact CD1-CD2 3.94Å; L640-L644 HydrophobicContact CG-CD2 4.2Å; L640-L644 WeakPolarHBondContact O-CG 3.45Å; L640-L644 PolarHBondContact O-N 2.88Å; Y641-L644 HydrophobicContact CD1-CD1 4.04Å; Y641-L644 PolarHBondContact O-N 3.2Å; L644-L721 HydrophobicContact CD1-CD2 4.44Å; L644-L721 HydrophobicContact CD2-CD1 3.91Å; L644-I725 HydrophobicContact CD1-CG2 3.9Å; L644-I725 HydrophobicContact CD2-CG2 4.23Å; L644-L729 HydrophobicContact CD2-CD2 4.06Å
645	Q	86.1	Confident	92.6	Very high	161 Å²	161	38 Å²	38	75%	0.752	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-10.7	177.8	-61.6	-177.1	-3.4	0	0	113.1	G643 K647	G643-Q645 PolarHBondContact O-N 3.04Å; Q645-K647 PolarHBondContact O-N 3.05Å
646	D	89.9	Confident	92.4	Very high	59 Å²	59	38.1 Å²	38.1	32%	0.316	18%	0.183	S	C	.	.			trans	-92.1	101.3	-176.9	177.5	-5.8	0	0	0	110.2	G643 D648 F649 L650	G643-D646 PolarHBondContact O-N 3.22Å; D646-D648 PolarHBondContact O-N 3.31Å; D646-D648 PolarHBondContact OD1-N 2.71Å; D646-F649 HydrophobicContact CB-CB 3.8Å; D646-F649 PolarHBondContact O-N 3.06Å; D646-F649 PolarHBondContact OD1-N 3.06Å; D646-F649 VanDerWaalsContact OD2-CB 3.24Å; D646-F649 WeakPolarHBondContact OD2-CB 3.33Å; D646-L650 WeakPolarHBondContact O-CG 3.44Å; D646-L650 PolarHBondContact O-N 3.36Å
647	K	91.3	Very high	92.3	Very high	175 Å²	175	38 Å²	38	76%	0.761	18%	0.183	S	C	*	.	H	α-helix	trans	-62.5	-31.4	-179.4	-65.5	-177.7	179.5	179.2	0	112.8	Q645 R651	Q645-K647 PolarHBondContact O-N 3.05Å; K647-R651 VanDerWaalsContact O-CB 3.29Å; K647-R651 WeakPolarHBondContact O-CB 3.38Å; K647-R651 PolarHBondContact O-N 2.75Å
648	D	92.3	Very high	92.4	Very high	66 Å²	66	38.1 Å²	38.1	35%	0.353	18%	0.183	S	C	.	.	H	α-helix	trans	-78.6	-37.9	-178.8	-79.2	-43.9	0	0	0	111.2	D646 R651 Q652 C792	D646-D648 PolarHBondContact O-N 3.31Å; D646-D648 PolarHBondContact OD1-N 2.71Å; D648-R651 WeakPolarHBondContact O-CB 3.35Å; D648-R651 PolarHBondContact O-N 2.84Å; D648-Q652 PolarHBondContact O-N 2.89Å; D648-C792 HydrophobicContact CB-CB 3.78Å; D648-C792 PolarHBondContact OD1-SG 3.41Å
649	F	94.1	Very high	92.7	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-49.5	165.7	167.8	-99.6	0	0	0	112.2	R639 L640 G643 D646 R651 Q652 L653 L658 N835	R639-F649 HydrophobicContact CG-CE2 3.83Å; R639-F649 HydrophobicContact CG-CZ 3.97Å; R639-F649 VanDerWaalsContact CZ-CD2 3.41Å; R639-F649 VanDerWaalsContact CZ-CE2 3.41Å; R639-F649 VanDerWaalsContact NH2-CD2 3.26Å; L640-F649 HydrophobicContact CD1-CE1 4.49Å; G643-F649 WeakPolarHBondContact O-CD1 3.36Å; D646-F649 HydrophobicContact CB-CB 3.8Å; D646-F649 PolarHBondContact O-N 3.06Å; D646-F649 PolarHBondContact OD1-N 3.06Å; D646-F649 VanDerWaalsContact OD2-CB 3.24Å; D646-F649 WeakPolarHBondContact OD2-CB 3.33Å; F649-R651 PolarHBondContact O-N 3.45Å; F649-Q652 PolarHBondContact O-N 3.27Å; F649-Q652 VanDerWaalsContact O-N 3.16Å; F649-L653 HydrophobicContact CE1-CD2 4Å; F649-L653 HydrophobicContact CZ-CD2 4.22Å; F649-L653 VanDerWaalsContact O-CB 3.3Å; F649-L653 WeakPolarHBondContact O-CB 3.31Å; F649-L653 PolarHBondContact O-N 3.31Å; F649-L658 HydrophobicContact CD2-CD2 4.3Å; F649-L658 HydrophobicContact CE2-CD1 3.98Å; F649-L658 HydrophobicContact CE2-CD2 3.64Å; F649-L658 HydrophobicContact CE2-CG 4.45Å; F649-L658 HydrophobicContact CZ-CD1 4.1Å; F649-L658 HydrophobicContact CZ-CD2 4.41Å; F649-N835 HydrophobicContact CD2-CB 4.06Å
650	L	94.4	Very high	92.9	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-32.8	178.5	-69.1	178.2	0	0	0	111.9	D646 L653 H654 L729 P730 I733	D646-L650 WeakPolarHBondContact O-CG 3.44Å; D646-L650 PolarHBondContact O-N 3.36Å; L650-L653 HydrophobicContact CD2-CD2 4.13Å; L650-H654 PolarHBondContact O-N 3.13Å; L650-H654 PolarHBondContact O-ND1 3.18Å; L650-L729 HydrophobicContact CD1-CD2 3.93Å; L650-L729 HydrophobicContact CD2-CD2 4.16Å; L650-P730 HydrophobicContact CB-CG 4.22Å; L650-I733 HydrophobicContact CD2-CD1 4.17Å
651	R	93	Very high	93.2	Very high	99 Å²	99	35.9 Å²	35.9	37%	0.374	18%	0.175	S	C	.	.	H	α-helix	trans	-65.2	-48.1	171.9	-177.3	178.3	178.4	-165.8	0.8	112.1	K647 D648 F649 L653 H654 L655	K647-R651 VanDerWaalsContact O-CB 3.29Å; K647-R651 WeakPolarHBondContact O-CB 3.38Å; K647-R651 PolarHBondContact O-N 2.75Å; D648-R651 WeakPolarHBondContact O-CB 3.35Å; D648-R651 PolarHBondContact O-N 2.84Å; F649-R651 PolarHBondContact O-N 3.45Å; R651-L653 VanDerWaalsContact C-N 3.33Å; R651-L653 PolarHBondContact O-N 3.2Å; R651-H654 PolarHBondContact O-ND1 3.38Å; R651-L655 HydrophobicContact CG-CD1 3.67Å; R651-L655 HydrophobicContact CG-CG 4.44Å; R651-L655 WeakPolarHBondContact O-CB 3.31Å; R651-L655 VanDerWaalsContact O-CG 3.31Å; R651-L655 WeakPolarHBondContact O-CG 3.31Å; R651-L655 PolarHBondContact O-N 3.29Å; R651-L655 VanDerWaalsContact O-N 3.17Å
652	Q	95.1	Very high	93.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.3	-44.3	174.3	174.2	-179.7	-16.2	0	0	112	D648 F649 H654 V656 G657 Y780 L784 V788 L834 N835	D648-Q652 PolarHBondContact O-N 2.89Å; F649-Q652 PolarHBondContact O-N 3.27Å; F649-Q652 VanDerWaalsContact O-N 3.16Å; Q652-H654 PolarHBondContact O-N 3.02Å; Q652-V656 PolarHBondContact O-N 2.88Å; Q652-G657 PolarHBondContact O-N 3.19Å; Q652-G657 VanDerWaalsContact O-N 3.1Å; Q652-Y780 PolarHBondContact NE2-OH 2.78Å; Q652-L784 HydrophobicContact CG-CD1 3.65Å; Q652-V788 HydrophobicContact CB-CG2 4.37Å; Q652-L834 PolarHBondContact NE2-O 2.88Å; Q652-N835 PolarHBondContact OE1-ND2 2.71Å
653	L	95.3	Very high	94.3	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-57.3	-44.6	-174.9	177.4	59.1	0	0	0	112.5	F636 L640 F649 L650 R651 G657 L658 I733 L739	F636-L653 HydrophobicContact CE2-CD1 4.02Å; F636-L653 HydrophobicContact CZ-CD1 4.25Å; L640-L653 HydrophobicContact CD1-CD2 4.06Å; F649-L653 HydrophobicContact CE1-CD2 4Å; F649-L653 HydrophobicContact CZ-CD2 4.22Å; F649-L653 VanDerWaalsContact O-CB 3.3Å; F649-L653 WeakPolarHBondContact O-CB 3.31Å; F649-L653 PolarHBondContact O-N 3.31Å; L650-L653 HydrophobicContact CD2-CD2 4.13Å; R651-L653 VanDerWaalsContact C-N 3.33Å; R651-L653 PolarHBondContact O-N 3.2Å; L653-G657 WeakPolarHBondContact O-CA 3.37Å; L653-G657 PolarHBondContact O-N 2.92Å; L653-L658 HydrophobicContact CD1-CD1 3.91Å; L653-L658 HydrophobicContact CD1-CD2 4.29Å; L653-L658 HydrophobicContact CD1-CG 3.77Å; L653-I733 HydrophobicContact CD2-CD1 4.45Å; L653-L739 HydrophobicContact CD1-CB 4.3Å; L653-L739 HydrophobicContact CD1-CD1 4.19Å; L653-L739 HydrophobicContact CD2-CD1 4.05Å; L653-L739 HydrophobicContact CG-CD1 3.99Å; L653-L739 HydrophobicContact CG-CD2 4.21Å
654	H	94.1	Very high	94.7	Very high	42 Å²	42	33.4 Å²	33.4	19%	0.194	16%	0.156	C	C	.	.	H	α-helix	trans	-90.4	-29.1	-178.3	80.7	-89.8	0	0	0	114.4	L650 R651 Q652 I733 L739	L650-H654 PolarHBondContact O-N 3.13Å; L650-H654 PolarHBondContact O-ND1 3.18Å; R651-H654 PolarHBondContact O-ND1 3.38Å; Q652-H654 PolarHBondContact O-N 3.02Å; H654-I733 HydrophobicContact CB-CD1 4.27Å; H654-I733 HydrophobicContact CB-CG1 3.9Å; H654-L739 HydrophobicContact CB-CD2 3.97Å
655	L	93.8	Very high	95.1	Very high	61 Å²	61	32.4 Å²	32.4	32%	0.319	15%	0.151	S	C	.	.	H	α-helix	trans	-79.1	-31.3	179.3	-67.5	-179.7	0	0	0	113.7	R651 K787	R651-L655 HydrophobicContact CG-CD1 3.67Å; R651-L655 HydrophobicContact CG-CG 4.44Å; R651-L655 WeakPolarHBondContact O-CB 3.31Å; R651-L655 VanDerWaalsContact O-CG 3.31Å; R651-L655 WeakPolarHBondContact O-CG 3.31Å; R651-L655 PolarHBondContact O-N 3.29Å; R651-L655 VanDerWaalsContact O-N 3.17Å; L655-K787 WeakPolarHBondContact O-CD 3.32Å; L655-K787 PolarHBondContact O-NZ 2.95Å
656	V	95.4	Very high	95.7	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.018	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-56.9	-172.2	-174.4	0	0	0	0	110.6	Q652 R740 F742 Y780 T783 L784 K787 V788	Q652-V656 PolarHBondContact O-N 2.88Å; V656-R740 PolarHBondContact O-NH2 3.46Å; V656-F742 WeakPolarHBondContact O-CE2 3.28Å; V656-Y780 HydrophobicContact CG1-CD2 4.39Å; V656-Y780 HydrophobicContact CG1-CE2 3.83Å; V656-T783 HydrophobicContact CG1-CG2 4.36Å; V656-L784 HydrophobicContact CB-CD1 4.35Å; V656-L784 HydrophobicContact CG1-CB 4.44Å; V656-L784 HydrophobicContact CG1-CD1 4.32Å; V656-L784 HydrophobicContact CG2-CD1 4.06Å; V656-K787 HydrophobicContact CG2-CB 3.82Å; V656-K787 HydrophobicContact CG2-CD 3.84Å; V656-K787 HydrophobicContact CG2-CG 4.49Å; V656-V788 HydrophobicContact CG2-CG2 3.81Å
657	G	95.9	Very high	96.1	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.1	C	C	.	.			trans	112.2	-176	-164.9	0	0	0	0	0	112	Q652 L653 R740 Y780	Q652-G657 PolarHBondContact O-N 3.19Å; Q652-G657 VanDerWaalsContact O-N 3.1Å; L653-G657 WeakPolarHBondContact O-CA 3.37Å; L653-G657 PolarHBondContact O-N 2.92Å; G657-R740 CarbonylContact C-O 3.56Å; G657-R740 WeakPolarHBondContact CA-O 3.29Å; G657-Y780 PolarHBondContact O-OH 3.16Å
658	L	97.4	Very high	96.3	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	151	179.9	-58.8	-179.7	0	0	0	112	F636 R639 F649 L653 R740 V741 F742 I837	F636-L658 HydrophobicContact CD2-CD1 4.45Å; F636-L658 HydrophobicContact CE2-CD1 4.38Å; R639-L658 HydrophobicContact CG-CD1 4.13Å; F649-L658 HydrophobicContact CD2-CD2 4.3Å; F649-L658 HydrophobicContact CE2-CD1 3.98Å; F649-L658 HydrophobicContact CE2-CD2 3.64Å; F649-L658 HydrophobicContact CE2-CG 4.45Å; F649-L658 HydrophobicContact CZ-CD1 4.1Å; F649-L658 HydrophobicContact CZ-CD2 4.41Å; L653-L658 HydrophobicContact CD1-CD1 3.91Å; L653-L658 HydrophobicContact CD1-CD2 4.29Å; L653-L658 HydrophobicContact CD1-CG 3.77Å; L658-R740 PolarHBondContact N-O 3.11Å; L658-V741 CarbonylContact O-C 3.57Å; L658-V741 VanDerWaalsContact O-CA 3.29Å; L658-V741 WeakPolarHBondContact O-CA 3.23Å; L658-F742 PolarHBondContact O-N 3.37Å; L658-I837 HydrophobicContact CD1-CD1 4.24Å; L658-I837 HydrophobicContact CD1-CG1 4.3Å
659	V	98.3	Very high	96.5	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	139.3	164.3	65.6	0	0	0	0	110.4	V744 L777 Y780 L834 G836 I837	V659-V744 HydrophobicContact CG2-CG1 4.43Å; V659-V744 HydrophobicContact CG2-CG2 3.73Å; V659-L777 HydrophobicContact CG2-CD1 3.9Å; V659-Y780 HydrophobicContact CB-CD1 4.12Å; V659-Y780 HydrophobicContact CB-CE1 3.92Å; V659-Y780 HydrophobicContact CG1-CE1 4.1Å; V659-L834 HydrophobicContact CG1-CB 4.05Å; V659-L834 HydrophobicContact CG1-CD1 4.4Å; V659-G836 CarbonylContact O-C 3.56Å; V659-G836 WeakPolarHBondContact O-CA 3.47Å; V659-I837 PolarHBondContact O-N 2.87Å
660	A	98.8	Very high	96.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	101.9	172.7	0	0	0	0	0	109.4	L632 F662 V741 F742 P743 V744 I837 F839	L632-A660 HydrophobicContact CD1-CB 3.67Å; A660-F662 HydrophobicContact CB-CE2 4.07Å; A660-F662 WeakPolarHBondContact O-CD2 3.42Å; A660-V741 HydrophobicContact CB-CG1 3.51Å; A660-F742 PolarHBondContact N-O 3.22Å; A660-P743 WeakPolarHBondContact O-CA 3.4Å; A660-V744 PolarHBondContact O-N 2.9Å; A660-I837 CarbonylContact C-O 3.52Å; A660-I837 WeakPolarHBondContact CA-O 3.44Å; A660-I837 HydrophobicContact CB-CB 4.39Å; A660-F839 HydrophobicContact CB-CE2 3.96Å
661	Q	98.7	Very high	96.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	112.5	-174	-172	-84.6	-36.8	0	0	111.2	V744 F746 A827 C831 I837 F839	Q661-V744 WeakPolarHBondContact CA-O 3.29Å; Q661-V744 HydrophobicContact CB-CG2 3.87Å; Q661-V744 HydrophobicContact CG-CG2 3.93Å; Q661-F746 HydrophobicContact CG-CD2 4.2Å; Q661-A827 HydrophobicContact CG-CB 4.2Å; Q661-C831 HydrophobicContact CB-CB 3.69Å; Q661-C831 VanDerWaalsContact CB-SG 3.57Å; Q661-C831 HydrophobicContact CG-CB 4.25Å; Q661-I837 PolarHBondContact N-O 3.19Å; Q661-F839 PolarHBondContact O-N 3.37Å
662	F	98.8	Very high	96.7	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	115.8	175	-65.5	-96.3	0	0	0	110.7	L632 A660 M679 I683 L686 P743 V744 L745 F746 F839	L632-F662 HydrophobicContact CD1-CZ 4.36Å; A660-F662 HydrophobicContact CB-CE2 4.07Å; A660-F662 WeakPolarHBondContact O-CD2 3.42Å; F662-M679 HydrophobicContact CB-CE 4.4Å; F662-I683 HydrophobicContact CB-CD1 3.78Å; F662-I683 HydrophobicContact CD1-CD1 3.76Å; F662-I683 HydrophobicContact CD1-CG1 4.39Å; F662-I683 HydrophobicContact CD2-CD1 4.1Å; F662-I683 HydrophobicContact CD2-CG1 4.39Å; F662-I683 HydrophobicContact CD2-CG2 3.78Å; F662-I683 HydrophobicContact CE1-CD1 4.35Å; F662-I683 HydrophobicContact CE2-CG2 4.08Å; F662-I683 HydrophobicContact CG-CD1 3.62Å; F662-I683 HydrophobicContact CG-CG1 4.32Å; F662-I683 HydrophobicContact CG-CG2 4.36Å; F662-L686 HydrophobicContact CE2-CD1 4.03Å; F662-L686 HydrophobicContact CZ-CD1 3.87Å; F662-P743 HydrophobicContact CE2-CB 4.43Å; F662-V744 PolarHBondContact N-O 3.18Å; F662-L745 HydrophobicContact CB-CD1 3.95Å; F662-L745 WeakPolarHBondContact O-CA 3.37Å; F662-F746 PolarHBondContact O-N 2.93Å; F662-F839 HydrophobicContact CB-CB 4.43Å; F662-F839 HydrophobicContact CD1-CB 3.52Å; F662-F839 HydrophobicContact CD1-CD1 4.14Å; F662-F839 HydrophobicContact CD1-CD2 4.02Å; F662-F839 AromaticContact CD1-CG 3.65Å; F662-F839 HydrophobicContact CD1-CG 3.65Å; F662-F839 HydrophobicContact CD2-CD2 4.23Å; F662-F839 HydrophobicContact CE1-CB 3.93Å; F662-F839 AromaticContact CE1-CD1 3.64Å; F662-F839 HydrophobicContact CE1-CD1 3.64Å; F662-F839 AromaticContact CE1-CD2 3.8Å; F662-F839 HydrophobicContact CE1-CD2 3.8Å; F662-F839 HydrophobicContact CE1-CE1 4.08Å; F662-F839 HydrophobicContact CE1-CE2 4.2Å; F662-F839 AromaticContact CE1-CG 3.52Å; F662-F839 HydrophobicContact CE1-CG 3.52Å; F662-F839 HydrophobicContact CE1-CZ 4.34Å; F662-F839 HydrophobicContact CE2-CD2 4.01Å; F662-F839 HydrophobicContact CE2-CE2 4.14Å; F662-F839 HydrophobicContact CG-CB 4.01Å; F662-F839 HydrophobicContact CG-CD2 4.23Å; F662-F839 HydrophobicContact CG-CG 4.24Å; F662-F839 HydrophobicContact CZ-CD1 4.2Å; F662-F839 AromaticContact CZ-CD2 3.8Å; F662-F839 HydrophobicContact CZ-CD2 3.8Å; F662-F839 HydrophobicContact CZ-CE1 4.26Å; F662-F839 AromaticContact CZ-CE2 3.83Å; F662-F839 HydrophobicContact CZ-CE2 3.83Å; F662-F839 HydrophobicContact CZ-CG 4Å; F662-F839 HydrophobicContact CZ-CZ 4.08Å
663	E	98.6	Very high	96.8	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.009	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133	163.3	165.5	177	134.8	0	0	110	L665 F746 L824 R838 F839 T840 S841 S852	E663-L665 HydrophobicContact CG-CD2 4.31Å; E663-L665 HydrophobicContact CG-CG 4.4Å; E663-L665 WeakPolarHBondContact OE1-CD2 3.37Å; E663-F746 CarbonylContact C-O 3.55Å; E663-F746 WeakPolarHBondContact CA-O 3.45Å; E663-L824 HydrophobicContact CG-CB 4.43Å; E663-L824 HydrophobicContact CG-CD1 3.84Å; E663-L824 HydrophobicContact CG-CD2 4.03Å; E663-L824 HydrophobicContact CG-CG 4.31Å; E663-R838 VanDerWaalsContact CB-NH1 3.26Å; E663-R838 IonicContact OE2-CZ 4Å; E663-R838 IonicContact OE2-NH1 2.73Å; E663-R838 IonicContact OE2-NH2 3.29Å; E663-R838 PolarHBondContact OE2-NH2 3.44Å; E663-F839 WeakPolarHBondContact CB-O 3.33Å; E663-F839 PolarHBondContact N-O 3.48Å; E663-T840 HydrophobicContact CG-CG2 4.44Å; E663-T840 WeakPolarHBondContact OE1-CG2 3.32Å; E663-S841 WeakPolarHBondContact O-CA 3.41Å; E663-S841 WeakPolarHBondContact O-CB 3.48Å; E663-S841 PolarHBondContact O-N 2.67Å; E663-S852 VanDerWaalsContact OE1-CB 3.23Å; E663-S852 WeakPolarHBondContact OE1-CB 3.23Å; E663-S852 PolarHBondContact OE1-OG 2.81Å
664	S	98.5	Very high	97	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.7	169.3	173.6	0	0	0	0	111.8	L666 F746 N747 V748	S664-L666 WeakPolarHBondContact OG-CB 3.42Å; S664-L666 WeakPolarHBondContact OG-CG 3.49Å; S664-L666 PolarHBondContact OG-N 2.71Å; S664-F746 PolarHBondContact N-O 2.86Å; S664-N747 WeakPolarHBondContact CB-OD1 3.48Å; S664-N747 VanDerWaalsContact O-CA 3.31Å; S664-N747 WeakPolarHBondContact O-CA 3.48Å; S664-N747 PolarHBondContact O-OD1 2.85Å; S664-N747 PolarHBondContact OG-OD1 3.47Å; S664-V748 PolarHBondContact O-N 3.41Å
665	L	98.4	Very high	97.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.			trans	-100	13.6	176.6	-58.2	170.1	0	0	0	112.7	E663 I750 L824 S841 C842 R848 Y912	E663-L665 HydrophobicContact CG-CD2 4.31Å; E663-L665 HydrophobicContact CG-CG 4.4Å; E663-L665 WeakPolarHBondContact OE1-CD2 3.37Å; L665-I750 HydrophobicContact CB-CG1 4.43Å; L665-I750 HydrophobicContact CD1-CD1 4.34Å; L665-I750 HydrophobicContact CD2-CD1 4.29Å; L665-I750 HydrophobicContact CD2-CG2 4.03Å; L665-L824 HydrophobicContact CD2-CD1 3.7Å; L665-S841 PolarHBondContact N-O 3.3Å; L665-C842 HydrophobicContact CB-CB 4.01Å; L665-C842 HydrophobicContact CD1-CB 4.46Å; L665-R848 HydrophobicContact CB-CB 4.49Å; L665-R848 HydrophobicContact CD1-CB 4.03Å; L665-R848 WeakPolarHBondContact CD1-O 3.48Å; L665-R848 PolarHBondContact O-NH1 2.71Å; L665-Y912 HydrophobicContact CD2-CE1 4.42Å
666	L	98.1	Very high	97.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.			trans	-68.2	144.4	178.8	-67.3	179.7	0	0	0	111.8	A340 S664 E672 M675 L676 M679 N747 G749 K843	A340-L666 HydrophobicContact CB-CD1 3.68Å; A340-L666 HydrophobicContact CB-CD2 4.29Å; A340-L666 HydrophobicContact CB-CG 4.2Å; S664-L666 WeakPolarHBondContact OG-CB 3.42Å; S664-L666 WeakPolarHBondContact OG-CG 3.49Å; S664-L666 PolarHBondContact OG-N 2.71Å; L666-E672 WeakPolarHBondContact CA-OE2 3.29Å; L666-E672 HydrophobicContact CB-CB 4.45Å; L666-E672 HydrophobicContact CD2-CB 4.24Å; L666-E672 HydrophobicContact CD2-CG 4.25Å; L666-M675 HydrophobicContact CD1-CB 3.73Å; L666-M675 HydrophobicContact CD2-CB 4.42Å; L666-L676 HydrophobicContact CD1-CB 4.01Å; L666-L676 HydrophobicContact CD1-CD1 4.46Å; L666-M679 HydrophobicContact CD1-SD 4.41Å; L666-N747 PolarHBondContact O-ND2 3.11Å; L666-N747 PolarHBondContact O-OD1 3.3Å; L666-G749 WeakPolarHBondContact O-CA 3.39Å; L666-G749 PolarHBondContact O-N 3.44Å; L666-K843 HydrophobicContact CD2-CB 4.13Å
667	S	97.4	Very high	97.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.			trans	-87.5	149.5	170.7	55.6	0	0	0	0	113	Y669 E672 I673 N751 Q753	S667-Y669 PolarHBondContact O-N 2.83Å; S667-E672 PolarHBondContact N-OE2 3.25Å; S667-E672 CarbonylContact O-C 3.59Å; S667-E672 VanDerWaalsContact O-C 3.23Å; S667-E672 WeakPolarHBondContact O-CB 3.44Å; S667-E672 PolarHBondContact OG-OE2 2.86Å; S667-I673 PolarHBondContact O-N 3.32Å; S667-N751 WeakPolarHBondContact CB-OD1 3.38Å; S667-Q753 VanDerWaalsContact OG-CB 3.3Å; S667-Q753 WeakPolarHBondContact OG-CB 3.26Å; S667-Q753 PolarHBondContact OG-OE1 2.84Å
668	T	96.6	Very high	97.7	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.018	8%	0.075	C	C	.	.	S	Bend	trans	-79.9	38.8	172.2	58.7	0	0	0	0	112.8	L676 Q754 A757 D762 L765 Q766	T668-L676 HydrophobicContact CG2-CD2 4.11Å; T668-Q754 PolarHBondContact OG1-NE2 3.35Å; T668-Q754 PolarHBondContact OG1-OE1 3.01Å; T668-A757 WeakPolarHBondContact OG1-CB 3.49Å; T668-D762 VanDerWaalsContact CB-O 3.27Å; T668-D762 WeakPolarHBondContact CB-O 3.47Å; T668-D762 PolarHBondContact OG1-O 3.46Å; T668-L765 HydrophobicContact CG2-CB 4.45Å; T668-Q766 HydrophobicContact CG2-CB 3.71Å
669	Y	95.2	Very high	97.7	Very high	93 Å²	93	14.7 Å²	14.7	37%	0.365	7%	0.074	S	C	.	.	S	Bend	trans	-141.2	155.2	-176.7	-159.5	-100.3	0	0	0	112.6	S667 E671 E672 I756	S667-Y669 PolarHBondContact O-N 2.83Å; Y669-E671 PolarHBondContact O-N 2.94Å; Y669-E672 PolarHBondContact O-N 3.49Å; Y669-E672 VanDerWaalsContact O-N 3.16Å; Y669-I756 HydrophobicContact CD1-CB 4.48Å; Y669-I756 HydrophobicContact CD1-CG2 4.25Å; Y669-I756 HydrophobicContact CD2-CG2 4.11Å; Y669-I756 HydrophobicContact CE1-CB 4.45Å; Y669-I756 HydrophobicContact CE1-CG2 3.8Å; Y669-I756 HydrophobicContact CE2-CG2 3.65Å; Y669-I756 HydrophobicContact CG-CG2 4.4Å; Y669-I756 VanDerWaalsContact CZ-CG2 3.48Å
670	S	94.4	Very high	97.7	Very high	73 Å²	73	15.5 Å²	15.5	51%	0.51	8%	0.078	S	C	.	.	H	α-helix	trans	51.6	-135.4	179.2	-170.8	0	0	0	0	111.4	E672 I673	S670-E672 VanDerWaalsContact C-N 3.31Å; S670-E672 PolarHBondContact O-N 3.05Å; S670-I673 WeakPolarHBondContact O-CG2 3.13Å
671	E	95.5	Very high	97.7	Very high	92 Å²	92	16.3 Å²	16.3	43%	0.43	8%	0.083	S	C	.	.	H	α-helix	trans	-68.6	-26.1	178.6	-51.7	-174.8	132.6	0	0	113.9	F348 Y669 I673 G674 M675 K843	F348-E671 HydrophobicContact CB-CB 4.36Å; F348-E671 HydrophobicContact CD2-CB 4.07Å; F348-E671 HydrophobicContact CG-CB 4.45Å; Y669-E671 PolarHBondContact O-N 2.94Å; E671-I673 VanDerWaalsContact C-N 3.27Å; E671-I673 PolarHBondContact O-N 3.18Å; E671-G674 PolarHBondContact O-N 3.27Å; E671-G674 VanDerWaalsContact O-N 3.11Å; E671-M675 HydrophobicContact CB-CE 3.52Å; E671-M675 PolarHBondContact O-N 2.85Å; E671-M675 VanDerWaalsContact O-N 3.17Å; E671-K843 IonicContact OE2-NZ 3.77Å; E671-K843 PolarHBondContact OE2-NZ 2.97Å
672	E	97.1	Very high	97.7	Very high	8 Å²	8	16.3 Å²	16.3	4%	0.037	8%	0.083	C	C	.	.	H	α-helix	trans	-70.6	-23.9	-172.6	-63.7	-156.8	167.9	0	0	112.5	L666 S667 Y669 S670 G674 M675 L676 K843 R848	L666-E672 WeakPolarHBondContact CA-OE2 3.29Å; L666-E672 HydrophobicContact CB-CB 4.45Å; L666-E672 HydrophobicContact CD2-CB 4.24Å; L666-E672 HydrophobicContact CD2-CG 4.25Å; S667-E672 PolarHBondContact N-OE2 3.25Å; S667-E672 CarbonylContact O-C 3.59Å; S667-E672 VanDerWaalsContact O-C 3.23Å; S667-E672 WeakPolarHBondContact O-CB 3.44Å; S667-E672 PolarHBondContact OG-OE2 2.86Å; Y669-E672 PolarHBondContact O-N 3.49Å; Y669-E672 VanDerWaalsContact O-N 3.16Å; S670-E672 VanDerWaalsContact C-N 3.31Å; S670-E672 PolarHBondContact O-N 3.05Å; E672-G674 VanDerWaalsContact C-N 3.31Å; E672-G674 PolarHBondContact O-N 3.25Å; E672-M675 HydrophobicContact CG-SD 4.14Å; E672-M675 PolarHBondContact O-N 3.06Å; E672-L676 WeakPolarHBondContact O-CB 3.34Å; E672-L676 PolarHBondContact O-N 3.42Å; E672-K843 HydrophobicContact CG-CD 4.37Å; E672-K843 WeakPolarHBondContact OE1-CD 3.37Å; E672-R848 IonicContact OE1-CZ 3.58Å; E672-R848 IonicContact OE1-NH1 3.47Å; E672-R848 IonicContact OE1-NH2 3.32Å; E672-R848 PolarHBondContact OE1-NH2 2.83Å; E672-R848 IonicContact OE2-CZ 3.64Å; E672-R848 VanDerWaalsContact OE2-CZ 3.3Å; E672-R848 IonicContact OE2-NH1 3.98Å; E672-R848 PolarHBondContact OE2-NH1 3.33Å; E672-R848 IonicContact OE2-NH2 2.79Å; E672-R848 PolarHBondContact OE2-NH2 2.85Å
673	I	97.3	Very high	97.7	Very high	26 Å²	26	16.3 Å²	16.3	13%	0.133	8%	0.084	C	C	.	.	H	α-helix	trans	-63.7	-38.5	171	-156.1	177.4	0	0	0	111.4	S667 S670 E671 L676 E677 L765	S667-I673 PolarHBondContact O-N 3.32Å; S670-I673 WeakPolarHBondContact O-CG2 3.13Å; E671-I673 VanDerWaalsContact C-N 3.27Å; E671-I673 PolarHBondContact O-N 3.18Å; I673-L676 PolarHBondContact O-N 3.32Å; I673-E677 WeakPolarHBondContact O-CG 3.27Å; I673-E677 PolarHBondContact O-N 3.19Å; I673-L765 HydrophobicContact CD1-CD2 4.29Å; I673-L765 HydrophobicContact CG1-CD2 3.5Å
674	G	97.8	Very high	97.6	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-74	-31.5	177.4	0	0	0	0	0	112.5	G352 E671 E672 L676 E677 D678	G352-G674 WeakPolarHBondContact CA-O 3.43Å; E671-G674 PolarHBondContact O-N 3.27Å; E671-G674 VanDerWaalsContact O-N 3.11Å; E672-G674 VanDerWaalsContact C-N 3.31Å; E672-G674 PolarHBondContact O-N 3.25Å; G674-L676 VanDerWaalsContact C-N 3.29Å; G674-E677 PolarHBondContact O-N 3.34Å; G674-D678 PolarHBondContact O-N 2.88Å
675	M	98.4	Very high	97.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-66.2	-34.8	170.2	-64.5	161.1	-157.6	0	0	111.3	A342 F348 L666 E671 E672 M679 K843	A342-M675 HydrophobicContact CB-CB 4.14Å; A342-M675 HydrophobicContact CB-CG 4.02Å; F348-M675 HydrophobicContact CD1-CG 4.24Å; F348-M675 HydrophobicContact CD2-CE 3.62Å; F348-M675 HydrophobicContact CD2-CG 4.36Å; F348-M675 HydrophobicContact CE1-CB 4.35Å; F348-M675 HydrophobicContact CE1-CG 3.63Å; F348-M675 HydrophobicContact CE2-CE 3.33Å; F348-M675 HydrophobicContact CE2-CG 3.83Å; F348-M675 HydrophobicContact CE2-SD 4.48Å; F348-M675 HydrophobicContact CG-CE 4.46Å; F348-M675 HydrophobicContact CZ-CE 3.94Å; F348-M675 HydrophobicContact CZ-CG 3.43Å; F348-M675 VanDerWaalsContact CZ-CG 3.43Å; L666-M675 HydrophobicContact CD1-CB 3.73Å; L666-M675 HydrophobicContact CD2-CB 4.42Å; E671-M675 HydrophobicContact CB-CE 3.52Å; E671-M675 PolarHBondContact O-N 2.85Å; E671-M675 VanDerWaalsContact O-N 3.17Å; E672-M675 HydrophobicContact CG-SD 4.14Å; E672-M675 PolarHBondContact O-N 3.06Å; M675-M679 VanDerWaalsContact O-CB 3.23Å; M675-M679 WeakPolarHBondContact O-CB 3.18Å; M675-M679 PolarHBondContact O-N 2.78Å; M675-K843 HydrophobicContact CE-CD 4.1Å; M675-K843 VanDerWaalsContact CE-CE 3.46Å; M675-K843 HydrophobicContact CE-CG 4.48Å; M675-K843 HydrophobicContact SD-CB 4.43Å; M675-K843 HydrophobicContact SD-CD 3.86Å; M675-K843 HydrophobicContact SD-CG 3.81Å
676	L	98.6	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-72.4	-37.1	175.6	-173.9	57.5	0	0	0	112	L666 T668 E672 I673 G674 M679 E680 L745 N747 L765 I769	L666-L676 HydrophobicContact CD1-CB 4.01Å; L666-L676 HydrophobicContact CD1-CD1 4.46Å; T668-L676 HydrophobicContact CG2-CD2 4.11Å; E672-L676 WeakPolarHBondContact O-CB 3.34Å; E672-L676 PolarHBondContact O-N 3.42Å; I673-L676 PolarHBondContact O-N 3.32Å; G674-L676 VanDerWaalsContact C-N 3.29Å; L676-M679 PolarHBondContact O-N 2.88Å; L676-E680 WeakPolarHBondContact O-CB 3.39Å; L676-E680 PolarHBondContact O-N 2.8Å; L676-L745 HydrophobicContact CD1-CD2 4.36Å; L676-N747 HydrophobicContact CD1-CB 4.06Å; L676-N747 WeakPolarHBondContact CD1-OD1 3.33Å; L676-N747 HydrophobicContact CD2-CB 4.28Å; L676-L765 HydrophobicContact CB-CD2 4.15Å; L676-L765 HydrophobicContact CD2-CD2 3.86Å; L676-L765 HydrophobicContact CD2-CG 4.04Å; L676-L765 HydrophobicContact CG-CD2 4Å; L676-L765 HydrophobicContact CG-CG 4.35Å; L676-I769 HydrophobicContact CD1-CD1 3.83Å; L676-I769 HydrophobicContact CD2-CD1 4.02Å; L676-I769 HydrophobicContact CG-CD1 3.68Å
677	E	98.5	Very high	97.5	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.037	13%	0.126	C	C	.	.	H	α-helix	trans	-66.5	-33	172.7	-73.2	171.6	161.6	0	0	113.2	G352 Q354 R355 I673 G674 T681 L765	G352-E677 PolarHBondContact N-OE2 3.1Å; Q354-E677 HydrophobicContact CB-CB 4Å; Q354-E677 HydrophobicContact CB-CG 4.3Å; Q354-E677 WeakPolarHBondContact CB-O 3.37Å; Q354-E677 PolarHBondContact N-O 2.84Å; R355-E677 IonicContact CZ-OE1 2.74Å; R355-E677 IonicContact CZ-OE2 3.46Å; R355-E677 IonicContact NE-OE1 3.42Å; R355-E677 PolarHBondContact NE-OE1 2.96Å; R355-E677 IonicContact NE-OE2 2.63Å; R355-E677 PolarHBondContact NE-OE2 2.87Å; R355-E677 IonicContact NH2-OE1 3.6Å; R355-E677 PolarHBondContact NH2-OE1 3.17Å; R355-E677 IonicContact NH2-OE2 2.93Å; R355-E677 PolarHBondContact NH2-OE2 3.03Å; I673-E677 WeakPolarHBondContact O-CG 3.27Å; I673-E677 PolarHBondContact O-N 3.19Å; G674-E677 PolarHBondContact O-N 3.34Å; E677-T681 PolarHBondContact O-OG1 3.49Å; E677-L765 HydrophobicContact CG-CD1 4.38Å; E677-L765 HydrophobicContact CG-CD2 3.82Å
678	D	98.8	Very high	97.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.3	-57.3	166.9	-76.6	0.3	0	0	0	110	P341 A342 A343 F348 G352 L353 R620 V624 G674 E680 T681 G682	P341-D678 WeakPolarHBondContact O-CB 3.36Å; A342-D678 WeakPolarHBondContact CA-OD2 3.19Å; A342-D678 HydrophobicContact CB-CB 4.24Å; A343-D678 PolarHBondContact N-OD2 3.42Å; F348-D678 WeakPolarHBondContact CE1-OD2 3.42Å; G352-D678 WeakPolarHBondContact CA-OD1 3.31Å; L353-D678 VanDerWaalsContact CB-OD1 3.29Å; L353-D678 WeakPolarHBondContact CB-OD1 3.17Å; L353-D678 PolarHBondContact N-OD1 3.27Å; R620-D678 IonicContact CZ-OD1 3.66Å; R620-D678 VanDerWaalsContact CZ-OD1 3.32Å; R620-D678 IonicContact CZ-OD2 2.81Å; R620-D678 IonicContact NE-OD1 2.92Å; R620-D678 PolarHBondContact NE-OD1 3.31Å; R620-D678 IonicContact NE-OD2 2.82Å; R620-D678 VanDerWaalsContact NH2-CG 3.29Å; R620-D678 IonicContact NH2-OD1 2.75Å; R620-D678 PolarHBondContact NH2-OD1 2.94Å; R620-D678 IonicContact NH2-OD2 3.27Å; R620-D678 PolarHBondContact NH2-OD2 2.8Å; V624-D678 HydrophobicContact CG1-CB 4.16Å; V624-D678 WeakPolarHBondContact CG1-O 3.31Å; V624-D678 HydrophobicContact CG2-CB 3.88Å; G674-D678 PolarHBondContact O-N 2.88Å; D678-E680 PolarHBondContact O-N 2.75Å; D678-T681 WeakPolarHBondContact O-CB 3.32Å; D678-T681 PolarHBondContact O-N 2.95Å; D678-G682 PolarHBondContact O-N 3.12Å
679	M	98.6	Very high	97.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.7	-39.2	-174.4	179.4	168.2	-172	0	0	113.7	A340 P341 F662 L666 M675 L676 T681 I683 L745	A340-M679 HydrophobicContact CB-SD 3.6Å; A340-M679 VanDerWaalsContact CB-SD 3.6Å; P341-M679 PolarHBondContact O-N 2.83Å; F662-M679 HydrophobicContact CB-CE 4.4Å; L666-M679 HydrophobicContact CD1-SD 4.41Å; M675-M679 VanDerWaalsContact O-CB 3.23Å; M675-M679 WeakPolarHBondContact O-CB 3.18Å; M675-M679 PolarHBondContact O-N 2.78Å; L676-M679 PolarHBondContact O-N 2.88Å; M679-T681 VanDerWaalsContact C-N 3.32Å; M679-T681 PolarHBondContact O-N 2.78Å; M679-I683 HydrophobicContact CE-CD1 3.46Å; M679-I683 VanDerWaalsContact CE-CD1 3.46Å; M679-I683 HydrophobicContact CG-CD1 3.52Å; M679-I683 HydrophobicContact CG-CG1 4.35Å; M679-I683 WeakPolarHBondContact O-CB 3.47Å; M679-I683 WeakPolarHBondContact O-CG1 3.23Å; M679-I683 PolarHBondContact O-N 2.81Å; M679-I683 HydrophobicContact SD-CD1 4.36Å; M679-L745 HydrophobicContact CE-CD1 3.71Å; M679-L745 HydrophobicContact CG-CD1 4.44Å; M679-L745 HydrophobicContact CG-CD2 4.17Å; M679-L745 HydrophobicContact SD-CD1 4.39Å
680	E	98.3	Very high	97.5	Very high	18 Å²	18	24.8 Å²	24.8	8%	0.084	13%	0.128	C	C	.	.	H	α-helix	trans	-57.1	-45.8	173.3	179.6	-175.6	-161.4	0	0	111.2	L676 D678 S684 L745 R768 I769	L676-E680 WeakPolarHBondContact O-CB 3.39Å; L676-E680 PolarHBondContact O-N 2.8Å; D678-E680 PolarHBondContact O-N 2.75Å; E680-S684 WeakPolarHBondContact O-CB 3.14Å; E680-S684 PolarHBondContact O-N 3.35Å; E680-L745 HydrophobicContact CB-CD2 4.37Å; E680-R768 VanDerWaalsContact CD-NH2 3.3Å; E680-R768 IonicContact OE1-CZ 3.76Å; E680-R768 IonicContact OE1-NE 2.98Å; E680-R768 PolarHBondContact OE1-NE 2.68Å; E680-R768 IonicContact OE1-NH2 2.64Å; E680-R768 PolarHBondContact OE1-NH2 2.78Å; E680-R768 IonicContact OE2-CZ 3.32Å; E680-R768 IonicContact OE2-NH2 2.82Å; E680-R768 PolarHBondContact OE2-NH2 3.33Å; E680-I769 HydrophobicContact CB-CD1 3.95Å; E680-I769 HydrophobicContact CB-CG1 4.37Å; E680-I769 HydrophobicContact CG-CD1 4.07Å; E680-I769 HydrophobicContact CG-CG1 3.93Å
681	T	98.1	Very high	97.6	Very high	16 Å²	16	21.3 Å²	21.3	10%	0.098	10%	0.104	C	C	.	.	H	α-helix	trans	-69.7	-50.5	-178.4	-50.2	0	0	0	0	110.6	L353 Q354 L357 E677 D678 M679 I683 S684 D685	L353-T681 HydrophobicContact CD2-CG2 3.66Å; L353-T681 HydrophobicContact CG-CG2 4.04Å; Q354-T681 PolarHBondContact N-OG1 2.94Å; L357-T681 HydrophobicContact CD1-CG2 4.09Å; E677-T681 PolarHBondContact O-OG1 3.49Å; D678-T681 WeakPolarHBondContact O-CB 3.32Å; D678-T681 PolarHBondContact O-N 2.95Å; M679-T681 VanDerWaalsContact C-N 3.32Å; M679-T681 PolarHBondContact O-N 2.78Å; T681-I683 PolarHBondContact O-N 2.83Å; T681-S684 PolarHBondContact O-N 2.91Å; T681-D685 PolarHBondContact O-N 3.05Å
682	G	98.1	Very high	97.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-61.6	-40.6	-178	0	0	0	0	0	114	D678 D685	D678-G682 PolarHBondContact O-N 3.12Å; G682-D685 PolarHBondContact O-N 3.3Å
683	I	98.6	Very high	97.7	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-73	-38.6	176.8	-68.2	171.9	0	0	0	110.7	F662 M679 T681 D685 L686 P743 L745	F662-I683 HydrophobicContact CB-CD1 3.78Å; F662-I683 HydrophobicContact CD1-CD1 3.76Å; F662-I683 HydrophobicContact CD1-CG1 4.39Å; F662-I683 HydrophobicContact CD2-CD1 4.1Å; F662-I683 HydrophobicContact CD2-CG1 4.39Å; F662-I683 HydrophobicContact CD2-CG2 3.78Å; F662-I683 HydrophobicContact CE1-CD1 4.35Å; F662-I683 HydrophobicContact CE2-CG2 4.08Å; F662-I683 HydrophobicContact CG-CD1 3.62Å; F662-I683 HydrophobicContact CG-CG1 4.32Å; F662-I683 HydrophobicContact CG-CG2 4.36Å; M679-I683 HydrophobicContact CE-CD1 3.46Å; M679-I683 VanDerWaalsContact CE-CD1 3.46Å; M679-I683 HydrophobicContact CG-CD1 3.52Å; M679-I683 HydrophobicContact CG-CG1 4.35Å; M679-I683 WeakPolarHBondContact O-CB 3.47Å; M679-I683 WeakPolarHBondContact O-CG1 3.23Å; M679-I683 PolarHBondContact O-N 2.81Å; M679-I683 HydrophobicContact SD-CD1 4.36Å; T681-I683 PolarHBondContact O-N 2.83Å; I683-D685 PolarHBondContact O-N 3.5Å; I683-L686 WeakPolarHBondContact O-CB 3.23Å; I683-L686 PolarHBondContact O-N 2.91Å; I683-L686 VanDerWaalsContact O-N 3.17Å; I683-P743 HydrophobicContact CG2-CB 3.79Å; I683-P743 WeakPolarHBondContact O-CB 3.49Å; I683-P743 WeakPolarHBondContact O-CG 3.36Å; I683-L745 HydrophobicContact CD1-CD1 3.97Å; I683-L745 HydrophobicContact CD1-CD2 4.33Å; I683-L745 HydrophobicContact CG2-CB 4.3Å
684	S	97.8	Very high	97.5	Very high	33 Å²	33	19.9 Å²	19.9	23%	0.231	10%	0.097	C	C	.	.	H	α-helix	trans	-64.2	-27.9	175.2	-167	0	0	0	0	112.6	E680 T681 L686 Q687 K772	E680-S684 WeakPolarHBondContact O-CB 3.14Å; E680-S684 PolarHBondContact O-N 3.35Å; T681-S684 PolarHBondContact O-N 2.91Å; S684-L686 VanDerWaalsContact C-N 3.34Å; S684-Q687 WeakPolarHBondContact O-CG 3.49Å; S684-Q687 PolarHBondContact O-NE2 2.86Å; S684-Q687 VanDerWaalsContact O-NE2 3.13Å; S684-K772 PolarHBondContact OG-NZ 3.44Å
685	D	97.7	Very high	97.3	Very high	9 Å²	9	23.8 Å²	23.8	5%	0.048	12%	0.115	C	C	.	.	H	α-helix	trans	-76.3	-17.9	176.4	-79.4	-31.9	0	0	0	113.8	R621 F625 T681 G682 I683 Q687 R688	R621-D685 IonicContact CZ-OD1 2.77Å; R621-D685 IonicContact CZ-OD2 3.54Å; R621-D685 VanDerWaalsContact CZ-OD2 3.25Å; R621-D685 IonicContact NE-OD1 2.79Å; R621-D685 IonicContact NE-OD2 3.5Å; R621-D685 PolarHBondContact NE-OD2 2.67Å; R621-D685 IonicContact NH2-OD1 3.17Å; R621-D685 PolarHBondContact NH2-OD1 2.84Å; R621-D685 IonicContact NH2-OD2 3.42Å; R621-D685 PolarHBondContact NH2-OD2 2.87Å; F625-D685 HydrophobicContact CD2-CB 3.77Å; F625-D685 HydrophobicContact CE2-CB 4.18Å; T681-D685 PolarHBondContact O-N 3.05Å; G682-D685 PolarHBondContact O-N 3.3Å; I683-D685 PolarHBondContact O-N 3.5Å; D685-Q687 PolarHBondContact O-N 3.17Å; D685-Q687 VanDerWaalsContact O-N 3.09Å; D685-R688 VanDerWaalsContact O-CB 3.31Å; D685-R688 WeakPolarHBondContact O-CB 3.34Å; D685-R688 WeakPolarHBondContact O-CG 3.39Å; D685-R688 PolarHBondContact O-N 2.77Å; D685-R688 IonicContact OD1-CZ 3.46Å; D685-R688 IonicContact OD1-NE 2.98Å; D685-R688 PolarHBondContact OD1-NE 3.43Å; D685-R688 IonicContact OD1-NH2 2.66Å
686	L	98.4	Very high	96.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-61.6	-17.1	174.2	-64.5	175.1	0	0	0	113.3	F625 A628 L629 L632 F662 I683 S684 R688 V689 P743	F625-L686 HydrophobicContact CE2-CD2 4.12Å; A628-L686 HydrophobicContact CB-CD1 4.13Å; A628-L686 HydrophobicContact CB-CD2 4.08Å; A628-L686 HydrophobicContact CB-CG 4.23Å; L629-L686 HydrophobicContact CB-CD2 4.2Å; L629-L686 HydrophobicContact CD1-CD2 4.35Å; L632-L686 HydrophobicContact CB-CD1 4.16Å; L632-L686 HydrophobicContact CB-CD2 4.31Å; L632-L686 HydrophobicContact CD1-CD1 4.43Å; L632-L686 HydrophobicContact CD2-CB 4.11Å; L632-L686 HydrophobicContact CD2-CD1 4.14Å; L632-L686 HydrophobicContact CD2-CD2 4.03Å; L632-L686 HydrophobicContact CD2-CG 4.31Å; L632-L686 HydrophobicContact CG-CD1 4.48Å; F662-L686 HydrophobicContact CE2-CD1 4.03Å; F662-L686 HydrophobicContact CZ-CD1 3.87Å; I683-L686 WeakPolarHBondContact O-CB 3.23Å; I683-L686 PolarHBondContact O-N 2.91Å; I683-L686 VanDerWaalsContact O-N 3.17Å; S684-L686 VanDerWaalsContact C-N 3.34Å; L686-R688 PolarHBondContact O-N 2.79Å; L686-R688 VanDerWaalsContact O-N 3.11Å; L686-V689 HydrophobicContact CD2-CG2 4.32Å; L686-V689 VanDerWaalsContact O-CB 3.31Å; L686-V689 WeakPolarHBondContact O-CB 3.37Å; L686-V689 PolarHBondContact O-N 2.86Å; L686-P743 HydrophobicContact CB-CB 4.11Å; L686-P743 HydrophobicContact CB-CG 3.97Å; L686-P743 HydrophobicContact CD1-CB 4.44Å
687	Q	95.9	Very high	96.2	Very high	130 Å²	130	33.8 Å²	33.8	61%	0.607	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-60.9	-15.9	171.6	75.8	-169.8	-25.3	0	0	113.6	S684 D685 V689 P743	S684-Q687 WeakPolarHBondContact O-CG 3.49Å; S684-Q687 PolarHBondContact O-NE2 2.86Å; S684-Q687 VanDerWaalsContact O-NE2 3.13Å; D685-Q687 PolarHBondContact O-N 3.17Å; D685-Q687 VanDerWaalsContact O-N 3.09Å; Q687-V689 VanDerWaalsContact C-N 3.29Å; Q687-P743 HydrophobicContact CB-CG 4.46Å
688	R	93.3	Very high	95.3	Very high	84 Å²	84	35.3 Å²	35.3	32%	0.317	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-85.8	-1	176.7	-56.6	172.4	-175.2	-136.2	-12.1	113.1	D685 L686 R712 H714 F715	D685-R688 VanDerWaalsContact O-CB 3.31Å; D685-R688 WeakPolarHBondContact O-CB 3.34Å; D685-R688 WeakPolarHBondContact O-CG 3.39Å; D685-R688 PolarHBondContact O-N 2.77Å; D685-R688 IonicContact OD1-CZ 3.46Å; D685-R688 IonicContact OD1-NE 2.98Å; D685-R688 PolarHBondContact OD1-NE 3.43Å; D685-R688 IonicContact OD1-NH2 2.66Å; L686-R688 PolarHBondContact O-N 2.79Å; L686-R688 VanDerWaalsContact O-N 3.11Å; R688-R712 PolarHBondContact NH1-O 3.37Å; R688-R712 VanDerWaalsContact NH1-O 3.15Å; R688-H714 PolarHBondContact O-ND1 3.4Å; R688-F715 PolarHBondContact O-N 3.46Å
689	V	97.8	Very high	93.9	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.8	-174.4	-177.7	0	0	0	0	109.5	F625 L629 L686 Q687 F691 F715 V717	F625-V689 HydrophobicContact CE2-CG2 4.03Å; F625-V689 HydrophobicContact CZ-CG2 3.73Å; L629-V689 HydrophobicContact CD1-CB 4.41Å; L629-V689 HydrophobicContact CD1-CG1 3.71Å; L629-V689 HydrophobicContact CD1-CG2 3.88Å; L686-V689 HydrophobicContact CD2-CG2 4.32Å; L686-V689 VanDerWaalsContact O-CB 3.31Å; L686-V689 WeakPolarHBondContact O-CB 3.37Å; L686-V689 PolarHBondContact O-N 2.86Å; Q687-V689 VanDerWaalsContact C-N 3.29Å; V689-F691 HydrophobicContact CG1-CD2 4.45Å; V689-F691 HydrophobicContact CG1-CE2 3.97Å; V689-F691 HydrophobicContact CG1-CZ 4.41Å; V689-F715 WeakPolarHBondContact CA-O 3.45Å; V689-V717 HydrophobicContact CG1-CG2 4.01Å
690	T	97.6	Very high	92.8	Very high	15 Å²	15	45.6 Å²	45.6	9%	0.092	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	156.8	165.5	59	0	0	0	0	110.3	H714 F715 T716 V717 P738	T690-H714 PolarHBondContact OG1-NE2 3.24Å; T690-F715 PolarHBondContact N-O 2.66Å; T690-T716 CarbonylContact O-C 3.53Å; T690-T716 WeakPolarHBondContact O-CA 3.42Å; T690-T716 PolarHBondContact OG1-OG1 3.19Å; T690-V717 PolarHBondContact O-N 3.5Å; T690-P738 HydrophobicContact CG2-CB 3.99Å
691	F	98.4	Very high	91.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145.8	172.6	-72	-97	0	0	0	109.3	L632 A633 F636 V689 V717 V719 L739 V741	L632-F691 HydrophobicContact CD2-CE2 3.83Å; L632-F691 HydrophobicContact CD2-CZ 4.07Å; L632-F691 HydrophobicContact CG-CE2 4.17Å; L632-F691 HydrophobicContact CG-CZ 4.03Å; A633-F691 HydrophobicContact CB-CE1 4.32Å; F636-F691 HydrophobicContact CB-CD1 4.1Å; F636-F691 HydrophobicContact CB-CE1 3.59Å; F636-F691 HydrophobicContact CB-CE2 4.32Å; F636-F691 HydrophobicContact CB-CZ 3.72Å; F636-F691 HydrophobicContact CD1-CB 4.28Å; F636-F691 AromaticContact CD1-CD1 3.27Å; F636-F691 HydrophobicContact CD1-CD1 3.27Å; F636-F691 AromaticContact CD1-CE1 3.66Å; F636-F691 HydrophobicContact CD1-CE1 3.66Å; F636-F691 AromaticContact CD1-CG 3.81Å; F636-F691 HydrophobicContact CD1-CG 3.81Å; F636-F691 HydrophobicContact CD1-CZ 4.46Å; F636-F691 HydrophobicContact CD2-CB 4.38Å; F636-F691 AromaticContact CD2-CD1 4Å; F636-F691 HydrophobicContact CD2-CD1 4Å; F636-F691 AromaticContact CD2-CD2 3.84Å; F636-F691 HydrophobicContact CD2-CD2 3.84Å; F636-F691 HydrophobicContact CD2-CE1 4.23Å; F636-F691 HydrophobicContact CD2-CE2 4.09Å; F636-F691 AromaticContact CD2-CG 3.8Å; F636-F691 HydrophobicContact CD2-CG 3.8Å; F636-F691 HydrophobicContact CD2-CZ 4.28Å; F636-F691 HydrophobicContact CE1-CB 3.73Å; F636-F691 AromaticContact CE1-CD1 3.59Å; F636-F691 HydrophobicContact CE1-CD1 3.59Å; F636-F691 HydrophobicContact CE1-CE1 4.41Å; F636-F691 AromaticContact CE1-CG 3.78Å; F636-F691 HydrophobicContact CE1-CG 3.78Å; F636-F691 HydrophobicContact CE2-CB 3.84Å; F636-F691 HydrophobicContact CE2-CD1 4.26Å; F636-F691 HydrophobicContact CE2-CD2 4.02Å; F636-F691 AromaticContact CE2-CG 3.77Å; F636-F691 HydrophobicContact CE2-CG 3.77Å; F636-F691 AromaticContact CG-CD1 3.5Å; F636-F691 HydrophobicContact CG-CD1 3.5Å; F636-F691 HydrophobicContact CG-CD2 4.14Å; F636-F691 AromaticContact CG-CE1 3.55Å; F636-F691 HydrophobicContact CG-CE1 3.55Å; F636-F691 HydrophobicContact CG-CE2 4.18Å; F636-F691 AromaticContact CG-CG 3.81Å; F636-F691 HydrophobicContact CG-CG 3.81Å; F636-F691 AromaticContact CG-CZ 3.9Å; F636-F691 HydrophobicContact CG-CZ 3.9Å; F636-F691 HydrophobicContact CZ-CB 3.49Å; F636-F691 VanDerWaalsContact CZ-CB 3.49Å; F636-F691 HydrophobicContact CZ-CD1 4.08Å; F636-F691 HydrophobicContact CZ-CD2 4.47Å; F636-F691 AromaticContact CZ-CG 3.77Å; F636-F691 HydrophobicContact CZ-CG 3.77Å; V689-F691 HydrophobicContact CG1-CD2 4.45Å; V689-F691 HydrophobicContact CG1-CE2 3.97Å; V689-F691 HydrophobicContact CG1-CZ 4.41Å; F691-V717 CarbonylContact C-O 3.41Å; F691-V717 VanDerWaalsContact CA-O 3.29Å; F691-V717 WeakPolarHBondContact CA-O 3.46Å; F691-V717 HydrophobicContact CD1-CB 3.65Å; F691-V717 HydrophobicContact CD1-CG1 3.92Å; F691-V717 HydrophobicContact CD1-CG2 4.48Å; F691-V717 HydrophobicContact CE1-CB 3.64Å; F691-V717 HydrophobicContact CE1-CG1 3.73Å; F691-V717 HydrophobicContact CE1-CG2 4.07Å; F691-V717 HydrophobicContact CG-CB 4.38Å; F691-V717 HydrophobicContact CZ-CB 4.35Å; F691-V717 HydrophobicContact CZ-CG2 4.34Å; F691-V719 HydrophobicContact CD1-CG2 4.13Å; F691-L739 HydrophobicContact CB-CB 4.19Å; F691-L739 PolarHBondContact N-O 2.86Å; F691-L739 WeakPolarHBondContact O-CB 3.43Å; F691-L739 PolarHBondContact O-N 3.36Å; F691-V741 HydrophobicContact CD2-CG2 3.73Å; F691-V741 HydrophobicContact CE2-CG2 3.76Å
692	K	97.1	Very high	90.4	Very high	67 Å²	67	52.6 Å²	52.6	29%	0.291	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.7	172.1	176.2	178.4	169.1	-172.8	0	107.9	T694 T716 V717 E718 V719	K692-T694 HydrophobicContact CD-CG2 4.3Å; K692-T694 HydrophobicContact CG-CG2 4.19Å; K692-T716 HydrophobicContact CB-CG2 4.04Å; K692-V717 PolarHBondContact N-O 3.05Å; K692-E718 HydrophobicContact CB-CG 4.38Å; K692-E718 IonicContact NZ-OE1 2.71Å; K692-E718 CarbonylContact O-C 3.57Å; K692-E718 VanDerWaalsContact O-CA 3.31Å; K692-E718 WeakPolarHBondContact O-CA 3.44Å; K692-V719 PolarHBondContact O-N 2.88Å
693	I	96	Very high	89.6	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	136	173.4	-63.6	169.6	0	0	0	107.4	L640 V719 L721 F726 L729 I733 L739	L640-I693 HydrophobicContact CD1-CD1 3.59Å; L640-I693 HydrophobicContact CD2-CD1 3.7Å; L640-I693 HydrophobicContact CD2-CG1 3.93Å; L640-I693 HydrophobicContact CG-CD1 4.31Å; I693-V719 WeakPolarHBondContact CA-O 3.46Å; I693-L721 HydrophobicContact CG2-CD1 3.41Å; I693-L721 VanDerWaalsContact CG2-CD1 3.41Å; I693-L721 HydrophobicContact CG2-CG 3.91Å; I693-F726 HydrophobicContact CG2-CD2 4.03Å; I693-F726 HydrophobicContact CG2-CE2 4.1Å; I693-L729 HydrophobicContact CG2-CD1 3.68Å; I693-I733 HydrophobicContact CB-CG2 3.86Å; I693-I733 HydrophobicContact CD1-CG2 3.72Å; I693-I733 HydrophobicContact CG1-CG2 4.25Å; I693-I733 HydrophobicContact CG2-CG2 4.4Å; I693-L739 HydrophobicContact CD1-CD1 3.69Å; I693-L739 HydrophobicContact CG1-CD1 3.9Å
694	T	94.3	Very high	89	Confident	26 Å²	26	55.5 Å²	55.5	16%	0.16	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156.4	-176	48.6	0	0	0	0	111.1	K692 E718 V719 P720 L721 F726	K692-T694 HydrophobicContact CD-CG2 4.3Å; K692-T694 HydrophobicContact CG-CG2 4.19Å; T694-E718 HydrophobicContact CG2-CB 4.18Å; T694-E718 HydrophobicContact CG2-CG 4.34Å; T694-V719 PolarHBondContact N-O 3.37Å; T694-P720 CarbonylContact O-C 3.54Å; T694-P720 WeakPolarHBondContact O-CA 3.36Å; T694-P720 WeakPolarHBondContact OG1-CA 3.2Å; T694-L721 PolarHBondContact O-N 3.19Å; T694-F726 VanDerWaalsContact C-CE2 3.46Å; T694-F726 WeakPolarHBondContact O-CD2 3.46Å
695	E	92.9	Very high	88.5	Confident	83 Å²	83	55.9 Å²	55.9	39%	0.388	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.6	169.4	-163.9	172.3	-177.4	0	0	109.1	Q723 F726	E695-Q723 HydrophobicContact CG-CB 4.42Å; E695-Q723 VanDerWaalsContact OE1-CG 3.22Å; E695-Q723 WeakPolarHBondContact OE1-CG 3.49Å; E695-Q723 PolarHBondContact OE1-NE2 2.5Å; E695-F726 HydrophobicContact CB-CB 4.49Å; E695-F726 HydrophobicContact CB-CD1 3.69Å; E695-F726 HydrophobicContact CB-CD2 4.3Å; E695-F726 HydrophobicContact CB-CE1 3.92Å; E695-F726 HydrophobicContact CB-CG 3.9Å; E695-F726 HydrophobicContact CB-CZ 4.32Å; E695-F726 HydrophobicContact CG-CB 4.29Å; E695-F726 HydrophobicContact CG-CD1 3.91Å; E695-F726 HydrophobicContact CG-CG 4.16Å
696	A	89.1	Confident	88.4	Confident	13 Å²	13	55.5 Å²	55.5	11%	0.107	28%	0.284	C	S	.	.			trans	-68.3	146.6	173.7	0	0	0	0	0	110.8	A698 L704 P720 L721	A696-A698 VanDerWaalsContact C-N 3.34Å; A696-L704 HydrophobicContact CB-CD2 3.71Å; A696-P720 HydrophobicContact CB-CB 4.24Å; A696-L721 VanDerWaalsContact CB-O 3.3Å; A696-L721 WeakPolarHBondContact CB-O 3.3Å; A696-L721 PolarHBondContact N-O 3.49Å
697	K	84.8	Confident	88.2	Confident	198 Å²	198	57.5 Å²	57.5	86%	0.861	30%	0.298	S	S	*	.	S	Bend	trans	-72.8	-30.7	-179.4	-63.6	175.8	-176.6	171.2	0	112.7
698	A	78.9	Confident	88.3	Confident	39 Å²	39	51.9 Å²	51.9	32%	0.322	27%	0.273	S	S	.	.	S	Bend	trans	-151.2	164.5	173.6	0	0	0	0	0	108.3	A696 D700	A696-A698 VanDerWaalsContact C-N 3.34Å; A698-D700 PolarHBondContact O-N 3.05Å; A698-D700 VanDerWaalsContact O-N 3.13Å
699	D	70.1	Confident	88.4	Confident	110 Å²	110	50.2 Å²	50.2	59%	0.588	27%	0.274	S	S	*	.	S	Bend	trans	-78.3	15.6	176.3	-63.3	-37.5	0	0	0	113.2
700	D	75.4	Confident	88.1	Confident	106 Å²	106	52 Å²	52	57%	0.567	29%	0.292	S	S	*	.	S	Bend	trans	-72.6	140.1	176.9	-82.8	-38	0	0	0	111.9	A698 S702 D703 L704	A698-D700 PolarHBondContact O-N 3.05Å; A698-D700 VanDerWaalsContact O-N 3.13Å; D700-S702 PolarHBondContact O-N 3.47Å; D700-D703 PolarHBondContact O-N 3.38Å; D700-L704 PolarHBondContact O-N 2.9Å
701	L	70.7	Confident	87.7	Confident	102 Å²	102	55.7 Å²	55.7	53%	0.534	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.8	-175.9	-60.6	175.2	0	0	0	114.7	P202	P202-L701 HydrophobicContact CG-CD2 3.81Å
702	S	75.2	Confident	87.3	Confident	79 Å²	79	57.2 Å²	57.2	55%	0.552	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-36.3	171.9	50.9	0	0	0	0	112.6	D700 L704 Q705	D700-S702 PolarHBondContact O-N 3.47Å; S702-L704 VanDerWaalsContact C-N 3.28Å; S702-Q705 WeakPolarHBondContact O-CB 3.44Å; S702-Q705 WeakPolarHBondContact O-CG 3.48Å; S702-Q705 PolarHBondContact O-N 3.32Å
703	D	81.8	Confident	86.7	Confident	57 Å²	57	57.5 Å²	57.5	31%	0.305	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-11.9	-171.5	-71	23.1	0	0	0	111.3	D700 Q705 P720	D700-D703 PolarHBondContact O-N 3.38Å; D703-Q705 VanDerWaalsContact C-N 3.33Å; D703-P720 VanDerWaalsContact O-CB 3.29Å; D703-P720 WeakPolarHBondContact O-CB 3.41Å; D703-P720 WeakPolarHBondContact O-CG 3.45Å
704	L	84.9	Confident	86.4	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.037	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	12.1	169.2	-60.4	176.7	0	0	0	113.7	P202 A696 D700 S702 P722	P202-L704 HydrophobicContact CB-CB 4.04Å; P202-L704 HydrophobicContact CG-CB 3.63Å; P202-L704 HydrophobicContact CG-CD1 3.95Å; P202-L704 HydrophobicContact CG-CG 4.46Å; A696-L704 HydrophobicContact CB-CD2 3.71Å; D700-L704 PolarHBondContact O-N 2.9Å; S702-L704 VanDerWaalsContact C-N 3.28Å; L704-P722 HydrophobicContact CD1-CG 4.3Å; L704-P722 HydrophobicContact CD2-CG 3.89Å
705	Q	88.4	Confident	86.5	Confident	42 Å²	42	60.3 Å²	60.3	20%	0.196	33%	0.326	C	S	.	.	S	Bend	trans	-84.6	129.2	173.2	-69.3	-64.6	-47.4	0	0	111.8	P202 S702 D703 S707 P720	P202-Q705 VanDerWaalsContact C-NE2 3.34Å; P202-Q705 PolarHBondContact O-NE2 3.23Å; S702-Q705 WeakPolarHBondContact O-CB 3.44Å; S702-Q705 WeakPolarHBondContact O-CG 3.48Å; S702-Q705 PolarHBondContact O-N 3.32Å; D703-Q705 VanDerWaalsContact C-N 3.33Å; Q705-S707 PolarHBondContact O-N 3.41Å; Q705-P720 WeakPolarHBondContact O-CG 3.41Å
706	P	94.6	Very high	86.8	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	32%	0.316	C	S	.	.			trans	-56.9	134.2	169.5	-26.6	34	0	0	0	114	V203 L233 Q240 V637 V717 E718	V203-P706 HydrophobicContact CG2-CG 4.36Å; L233-P706 HydrophobicContact CD1-CG 4.24Å; L233-P706 HydrophobicContact CD2-CB 4.26Å; L233-P706 HydrophobicContact CD2-CG 3.97Å; Q240-P706 PolarHBondContact NE2-O 3.49Å; Q240-P706 VanDerWaalsContact NE2-O 3.14Å; V637-P706 HydrophobicContact CG2-CG 3.88Å; P706-V717 HydrophobicContact CB-CG1 4.34Å; P706-E718 CarbonylContact C-O 3.53Å; P706-E718 VanDerWaalsContact CA-O 3.22Å; P706-E718 WeakPolarHBondContact CA-O 3.24Å
707	S	95.3	Very high	87.2	Confident	43 Å²	43	57.2 Å²	57.2	30%	0.301	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	151.1	177	46.4	0	0	0	0	112.5	Q705 V717 E718	Q705-S707 PolarHBondContact O-N 3.41Å; S707-V717 CarbonylContact O-C 3.55Å; S707-V717 WeakPolarHBondContact O-CA 3.36Å; S707-E718 PolarHBondContact N-O 3.39Å; S707-E718 PolarHBondContact O-N 3.1Å
708	V	97.7	Very high	87.8	Confident	11 Å²	11	50.2 Å²	50.2	7%	0.067	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.5	176.9	-170.1	0	0	0	0	109.2	I237 Q240 L241 L244 L629 F715 T716 V717	I237-V708 HydrophobicContact CD1-CG2 3.43Å; I237-V708 VanDerWaalsContact CD1-CG2 3.43Å; I237-V708 HydrophobicContact CG2-CG2 4.28Å; Q240-V708 HydrophobicContact CB-CB 4.35Å; Q240-V708 HydrophobicContact CB-CG2 4.45Å; L241-V708 HydrophobicContact CD2-CG1 4.12Å; L244-V708 HydrophobicContact CD1-CB 4.29Å; L244-V708 HydrophobicContact CD1-CG1 3.97Å; L629-V708 HydrophobicContact CD2-CG1 4.32Å; V708-F715 HydrophobicContact CG1-CB 4.41Å; V708-F715 HydrophobicContact CG1-CD1 3.92Å; V708-F715 HydrophobicContact CG1-CG 4.41Å; V708-T716 WeakPolarHBondContact CA-O 3.42Å; V708-V717 HydrophobicContact CG2-CG2 4.42Å
709	C	95	Very high	88.6	Confident	50 Å²	50	48.3 Å²	48.3	34%	0.338	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	165.4	172.4	65.2	0	0	0	0	110.9	F715 T716	C709-F715 WeakPolarHBondContact O-CA 3.45Å; C709-T716 PolarHBondContact N-O 3.32Å; C709-T716 PolarHBondContact O-N 2.97Å
710	G	92.3	Very high	89.7	Confident	40 Å²	40	43.5 Å²	43.5	41%	0.412	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	107.2	-150.4	-176.9	0	0	0	0	0	113.6	H714	G710-H714 WeakPolarHBondContact CA-O 3.37Å
711	R	89.5	Confident	90.4	Very high	94 Å²	94	38.4 Å²	38.4	36%	0.355	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	172.1	-169.6	-64.7	-169.5	-46.7	-150.2	-2.3	110.9	E248 S389 D713 H714 F715	E248-R711 HydrophobicContact CG-CG 4.49Å; S389-R711 PolarHBondContact OG-NH2 2.77Å; R711-D713 WeakPolarHBondContact CB-OD1 3.41Å; R711-D713 IonicContact CZ-OD1 3.57Å; R711-D713 IonicContact CZ-OD2 3.83Å; R711-D713 IonicContact NE-OD1 3.06Å; R711-D713 PolarHBondContact NE-OD1 2.84Å; R711-D713 IonicContact NE-OD2 2.71Å; R711-D713 IonicContact NH2-OD1 3.14Å; R711-D713 PolarHBondContact NH2-OD1 3.37Å; R711-D713 IonicContact NH2-OD2 3.22Å; R711-D713 PolarHBondContact NH2-OD2 3.09Å; R711-D713 PolarHBondContact O-N 2.93Å; R711-H714 PolarHBondContact N-O 2.85Å; R711-H714 CarbonylContact O-C 3.57Å; R711-H714 PolarHBondContact O-N 3.19Å; R711-F715 WeakPolarHBondContact O-CD2 3.49Å; R711-F715 VanDerWaalsContact O-CE2 3.3Å; R711-F715 WeakPolarHBondContact O-CE2 3.32Å; R711-F715 WeakPolarHBondContact O-CZ 3.42Å
712	R	89	Confident	91.3	Very high	32 Å²	32	34.6 Å²	34.6	12%	0.121	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-20.5	178.7	-74	172.4	-178.2	114.4	-25	116.4	Y245 E248 D249 D622 R688 F715	Y245-R712 HydrophobicContact CD1-CG 3.84Å; Y245-R712 HydrophobicContact CE1-CG 3.61Å; E248-R712 VanDerWaalsContact CD-NH1 3.31Å; E248-R712 IonicContact OE1-NH1 3.3Å; E248-R712 WeakPolarHBondContact OE2-CG 3.24Å; E248-R712 IonicContact OE2-CZ 3.17Å; E248-R712 PolarHBondContact OE2-N 3.11Å; E248-R712 IonicContact OE2-NE 2.67Å; E248-R712 IonicContact OE2-NH1 2.85Å; E248-R712 PolarHBondContact OE2-NH1 3.26Å; D249-R712 IonicContact OD1-CZ 3.6Å; D249-R712 IonicContact OD1-NH1 2.68Å; D249-R712 PolarHBondContact OD1-NH1 3.1Å; D249-R712 IonicContact OD1-NH2 3.76Å; D249-R712 IonicContact OD2-CZ 3.4Å; D249-R712 IonicContact OD2-NH1 3.2Å; D249-R712 PolarHBondContact OD2-NH1 2.82Å; D249-R712 IonicContact OD2-NH2 3.93Å; D249-R712 PolarHBondContact OD2-NH2 2.75Å; D622-R712 IonicContact OD1-CZ 3.78Å; D622-R712 IonicContact OD1-NE 3.67Å; D622-R712 PolarHBondContact OD1-NE 3.32Å; D622-R712 IonicContact OD2-CZ 3.67Å; D622-R712 IonicContact OD2-NE 2.94Å; D622-R712 PolarHBondContact OD2-NE 3.22Å; D622-R712 IonicContact OD2-NH2 2.97Å; D622-R712 PolarHBondContact OD2-NH2 2.73Å; R688-R712 PolarHBondContact NH1-O 3.37Å; R688-R712 VanDerWaalsContact NH1-O 3.15Å; R712-F715 HydrophobicContact CG-CZ 4.49Å
713	D	83.9	Confident	91.9	Very high	72 Å²	72	35.6 Å²	35.6	39%	0.385	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-33.6	173.3	59	-43.5	0	0	0	113.1	R711	R711-D713 WeakPolarHBondContact CB-OD1 3.41Å; R711-D713 IonicContact CZ-OD1 3.57Å; R711-D713 IonicContact CZ-OD2 3.83Å; R711-D713 IonicContact NE-OD1 3.06Å; R711-D713 PolarHBondContact NE-OD1 2.84Å; R711-D713 IonicContact NE-OD2 2.71Å; R711-D713 IonicContact NH2-OD1 3.14Å; R711-D713 PolarHBondContact NH2-OD1 3.37Å; R711-D713 IonicContact NH2-OD2 3.22Å; R711-D713 PolarHBondContact NH2-OD2 3.09Å; R711-D713 PolarHBondContact O-N 2.93Å
714	H	91.6	Very high	92.2	Very high	86 Å²	86	38 Å²	38	40%	0.398	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	123.4	177.5	-163.4	77.2	0	0	0	112.1	R688 T690 G710 R711	R688-H714 PolarHBondContact O-ND1 3.4Å; T690-H714 PolarHBondContact OG1-NE2 3.24Å; G710-H714 WeakPolarHBondContact CA-O 3.37Å; R711-H714 PolarHBondContact N-O 2.85Å; R711-H714 CarbonylContact O-C 3.57Å; R711-H714 PolarHBondContact O-N 3.19Å
715	F	96.1	Very high	92.3	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.3	174.3	-73.1	-69.4	0	0	0	111	L241 L244 Y245 F625 R688 V689 T690 V708 C709 R711 R712	L241-F715 HydrophobicContact CD2-CD1 4.23Å; L241-F715 HydrophobicContact CD2-CD2 4.47Å; L241-F715 HydrophobicContact CD2-CE1 3.84Å; L241-F715 HydrophobicContact CD2-CE2 4.07Å; L241-F715 HydrophobicContact CD2-CZ 3.74Å; L244-F715 HydrophobicContact CB-CE1 4.42Å; L244-F715 HydrophobicContact CD1-CD1 4.17Å; L244-F715 HydrophobicContact CD1-CE1 3.8Å; Y245-F715 HydrophobicContact CD1-CZ 4.44Å; Y245-F715 HydrophobicContact CE1-CE2 4.27Å; Y245-F715 AromaticContact CE1-CZ 3.76Å; Y245-F715 HydrophobicContact CE1-CZ 3.76Å; F625-F715 HydrophobicContact CD1-CE2 4.34Å; F625-F715 AromaticContact CE1-CD2 3.49Å; F625-F715 HydrophobicContact CE1-CD2 3.49Å; F625-F715 VanDerWaalsContact CE1-CD2 3.49Å; F625-F715 AromaticContact CE1-CE2 3.54Å; F625-F715 HydrophobicContact CE1-CE2 3.54Å; F625-F715 AromaticContact CZ-CD2 3.59Å; F625-F715 HydrophobicContact CZ-CD2 3.59Å; F625-F715 HydrophobicContact CZ-CE2 4.05Å; R688-F715 PolarHBondContact O-N 3.46Å; V689-F715 WeakPolarHBondContact CA-O 3.45Å; T690-F715 PolarHBondContact N-O 2.66Å; V708-F715 HydrophobicContact CG1-CB 4.41Å; V708-F715 HydrophobicContact CG1-CD1 3.92Å; V708-F715 HydrophobicContact CG1-CG 4.41Å; C709-F715 WeakPolarHBondContact O-CA 3.45Å; R711-F715 WeakPolarHBondContact O-CD2 3.49Å; R711-F715 VanDerWaalsContact O-CE2 3.3Å; R711-F715 WeakPolarHBondContact O-CE2 3.32Å; R711-F715 WeakPolarHBondContact O-CZ 3.42Å; R712-F715 HydrophobicContact CG-CZ 4.49Å
716	T	97.8	Very high	92.5	Very high	30 Å²	30	38.6 Å²	38.6	18%	0.184	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.9	169.1	-54.4	0	0	0	0	108.8	T690 K692 V708 C709 E718	T690-T716 CarbonylContact O-C 3.53Å; T690-T716 WeakPolarHBondContact O-CA 3.42Å; T690-T716 PolarHBondContact OG1-OG1 3.19Å; K692-T716 HydrophobicContact CB-CG2 4.04Å; V708-T716 WeakPolarHBondContact CA-O 3.42Å; C709-T716 PolarHBondContact N-O 3.32Å; C709-T716 PolarHBondContact O-N 2.97Å; T716-E718 HydrophobicContact CG2-CG 4.34Å
717	V	98.4	Very high	92.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	112.7	169.5	-176.9	0	0	0	0	108.3	L629 A633 V689 T690 F691 K692 P706 S707 V708 V719	L629-V717 HydrophobicContact CD1-CG2 3.94Å; L629-V717 HydrophobicContact CD2-CG2 4.46Å; A633-V717 HydrophobicContact CB-CG1 4.41Å; V689-V717 HydrophobicContact CG1-CG2 4.01Å; T690-V717 PolarHBondContact O-N 3.5Å; F691-V717 CarbonylContact C-O 3.41Å; F691-V717 VanDerWaalsContact CA-O 3.29Å; F691-V717 WeakPolarHBondContact CA-O 3.46Å; F691-V717 HydrophobicContact CD1-CB 3.65Å; F691-V717 HydrophobicContact CD1-CG1 3.92Å; F691-V717 HydrophobicContact CD1-CG2 4.48Å; F691-V717 HydrophobicContact CE1-CB 3.64Å; F691-V717 HydrophobicContact CE1-CG1 3.73Å; F691-V717 HydrophobicContact CE1-CG2 4.07Å; F691-V717 HydrophobicContact CG-CB 4.38Å; F691-V717 HydrophobicContact CZ-CB 4.35Å; F691-V717 HydrophobicContact CZ-CG2 4.34Å; K692-V717 PolarHBondContact N-O 3.05Å; P706-V717 HydrophobicContact CB-CG1 4.34Å; S707-V717 CarbonylContact O-C 3.55Å; S707-V717 WeakPolarHBondContact O-CA 3.36Å; V708-V717 HydrophobicContact CG2-CG2 4.42Å; V717-V719 HydrophobicContact CG1-CG2 4.35Å
718	E	96.8	Very high	92.2	Very high	51 Å²	51	46.9 Å²	46.9	24%	0.238	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.9	174.7	-62.6	-173.5	135.1	0	0	109.3	K692 T694 P706 S707 T716	K692-E718 HydrophobicContact CB-CG 4.38Å; K692-E718 IonicContact NZ-OE1 2.71Å; K692-E718 CarbonylContact O-C 3.57Å; K692-E718 VanDerWaalsContact O-CA 3.31Å; K692-E718 WeakPolarHBondContact O-CA 3.44Å; T694-E718 HydrophobicContact CG2-CB 4.18Å; T694-E718 HydrophobicContact CG2-CG 4.34Å; P706-E718 CarbonylContact C-O 3.53Å; P706-E718 VanDerWaalsContact CA-O 3.22Å; P706-E718 WeakPolarHBondContact CA-O 3.24Å; S707-E718 PolarHBondContact N-O 3.39Å; S707-E718 PolarHBondContact O-N 3.1Å; T716-E718 HydrophobicContact CG2-CG 4.34Å
719	V	95.5	Very high	92	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	100.1	-179.2	-177.3	0	0	0	0	108.2	F636 V637 L640 F691 K692 I693 T694 V717	F636-V719 HydrophobicContact CD1-CG2 4.13Å; F636-V719 HydrophobicContact CE1-CG2 4.14Å; V637-V719 HydrophobicContact CG2-CG1 4.07Å; V637-V719 HydrophobicContact CG2-CG2 4.21Å; L640-V719 HydrophobicContact CD2-CG1 3.95Å; F691-V719 HydrophobicContact CD1-CG2 4.13Å; K692-V719 PolarHBondContact O-N 2.88Å; I693-V719 WeakPolarHBondContact CA-O 3.46Å; T694-V719 PolarHBondContact N-O 3.37Å; V717-V719 HydrophobicContact CG1-CG2 4.35Å
720	P	93.4	Very high	91.9	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.052	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	142.9	179.1	28.2	-34.2	0	0	0	111.8	T694 A696 D703 Q705	T694-P720 CarbonylContact O-C 3.54Å; T694-P720 WeakPolarHBondContact O-CA 3.36Å; T694-P720 WeakPolarHBondContact OG1-CA 3.2Å; A696-P720 HydrophobicContact CB-CB 4.24Å; D703-P720 VanDerWaalsContact O-CB 3.29Å; D703-P720 WeakPolarHBondContact O-CB 3.41Å; D703-P720 WeakPolarHBondContact O-CG 3.45Å; Q705-P720 WeakPolarHBondContact O-CG 3.41Å
721	L	90.9	Very high	91.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.6	173.3	-67	177.2	0	0	0	110.9	Y641 L644 I693 T694 A696 I725 F726 L729	Y641-L721 HydrophobicContact CD1-CD2 4.23Å; Y641-L721 HydrophobicContact CE1-CD2 3.58Å; L644-L721 HydrophobicContact CD1-CD2 4.44Å; L644-L721 HydrophobicContact CD2-CD1 3.91Å; I693-L721 HydrophobicContact CG2-CD1 3.41Å; I693-L721 VanDerWaalsContact CG2-CD1 3.41Å; I693-L721 HydrophobicContact CG2-CG 3.91Å; T694-L721 PolarHBondContact O-N 3.19Å; A696-L721 VanDerWaalsContact CB-O 3.3Å; A696-L721 WeakPolarHBondContact CB-O 3.3Å; A696-L721 PolarHBondContact N-O 3.49Å; L721-I725 HydrophobicContact CD1-CG2 4.23Å; L721-F726 HydrophobicContact CB-CB 4.32Å; L721-L729 HydrophobicContact CD1-CD1 3.78Å
722	P	88.7	Confident	92	Very high	21 Å²	21	48 Å²	48	14%	0.136	25%	0.248	C	C	.	.			trans	-55.3	143.4	170.7	-24.1	35.2	0	0	0	111.5	L199 L704 V724 I725 F726	L199-P722 HydrophobicContact CD2-CG 3.82Å; L704-P722 HydrophobicContact CD1-CG 4.3Å; L704-P722 HydrophobicContact CD2-CG 3.89Å; P722-V724 VanDerWaalsContact C-N 3.29Å; P722-V724 PolarHBondContact O-N 3.2Å; P722-I725 HydrophobicContact CG-CD1 4.47Å; P722-I725 PolarHBondContact O-N 2.6Å; P722-F726 PolarHBondContact O-N 3.46Å
723	Q	88.3	Confident	92.2	Very high	100 Å²	100	46.5 Å²	46.5	47%	0.467	24%	0.242	S	C	.	.	H	α-helix	trans	-50.5	-46.4	-173.4	167.6	165.4	82.8	0	0	113	E695 I725 F726 Q727	E695-Q723 HydrophobicContact CG-CB 4.42Å; E695-Q723 VanDerWaalsContact OE1-CG 3.22Å; E695-Q723 WeakPolarHBondContact OE1-CG 3.49Å; E695-Q723 PolarHBondContact OE1-NE2 2.5Å; Q723-I725 PolarHBondContact O-N 2.76Å; Q723-F726 PolarHBondContact O-N 3.43Å; Q723-Q727 HydrophobicContact CG-CG 4.48Å; Q723-Q727 VanDerWaalsContact CG-NE2 3.29Å; Q723-Q727 WeakPolarHBondContact O-CG 3.49Å; Q723-Q727 PolarHBondContact O-N 2.75Å
724	V	87.3	Confident	92.7	Very high	108 Å²	108	45.7 Å²	45.7	66%	0.655	24%	0.235	S	C	*	.	H	α-helix	trans	-56.1	-39.4	-179	-179.7	0	0	0	0	112	P722	P722-V724 VanDerWaalsContact C-N 3.29Å; P722-V724 PolarHBondContact O-N 3.2Å
725	I	88.6	Confident	92.6	Very high	41 Å²	41	47.7 Å²	47.7	21%	0.21	25%	0.245	C	C	.	.	H	α-helix	trans	-84.6	-38.5	-177.9	-70.6	159.9	0	0	0	110.5	L199 L644 L721 P722 Q723 Q727 T728	L199-I725 HydrophobicContact CD1-CD1 3.64Å; L199-I725 HydrophobicContact CD2-CD1 3.54Å; L199-I725 HydrophobicContact CG-CD1 4.02Å; L644-I725 HydrophobicContact CD1-CG2 3.9Å; L644-I725 HydrophobicContact CD2-CG2 4.23Å; L721-I725 HydrophobicContact CD1-CG2 4.23Å; P722-I725 HydrophobicContact CG-CD1 4.47Å; P722-I725 PolarHBondContact O-N 2.6Å; Q723-I725 PolarHBondContact O-N 2.76Å; I725-Q727 PolarHBondContact O-N 3.06Å; I725-T728 PolarHBondContact O-N 3.1Å; I725-T728 VanDerWaalsContact O-N 3.13Å; I725-T728 PolarHBondContact O-OG1 3.01Å
726	F	92.3	Very high	92.1	Very high	21 Å²	21	48.3 Å²	48.3	9%	0.092	25%	0.252	C	S	.	.	H	α-helix	trans	-57.1	-39.7	175.3	-174.8	-98.6	0	0	0	111.5	I693 T694 E695 L721 P722 Q723 T728 L729 K734	I693-F726 HydrophobicContact CG2-CD2 4.03Å; I693-F726 HydrophobicContact CG2-CE2 4.1Å; T694-F726 VanDerWaalsContact C-CE2 3.46Å; T694-F726 WeakPolarHBondContact O-CD2 3.46Å; E695-F726 HydrophobicContact CB-CB 4.49Å; E695-F726 HydrophobicContact CB-CD1 3.69Å; E695-F726 HydrophobicContact CB-CD2 4.3Å; E695-F726 HydrophobicContact CB-CE1 3.92Å; E695-F726 HydrophobicContact CB-CG 3.9Å; E695-F726 HydrophobicContact CB-CZ 4.32Å; E695-F726 HydrophobicContact CG-CB 4.29Å; E695-F726 HydrophobicContact CG-CD1 3.91Å; E695-F726 HydrophobicContact CG-CG 4.16Å; L721-F726 HydrophobicContact CB-CB 4.32Å; P722-F726 PolarHBondContact O-N 3.46Å; Q723-F726 PolarHBondContact O-N 3.43Å; F726-T728 VanDerWaalsContact C-N 3.29Å; F726-T728 PolarHBondContact O-N 3.01Å; F726-L729 HydrophobicContact CD2-CD1 4.04Å; F726-L729 HydrophobicContact CE2-CD1 4.5Å; F726-L729 WeakPolarHBondContact O-CB 3.39Å; F726-L729 PolarHBondContact O-N 3.39Å; F726-K734 HydrophobicContact CD1-CG 4.42Å; F726-K734 HydrophobicContact CE1-CB 4.1Å; F726-K734 HydrophobicContact CE1-CD 4.42Å; F726-K734 HydrophobicContact CE1-CG 3.96Å; F726-K734 HydrophobicContact CZ-CB 4Å; F726-K734 HydrophobicContact CZ-CG 4.02Å; F726-K734 VanDerWaalsContact O-CD 3.27Å; F726-K734 WeakPolarHBondContact O-CD 3.33Å
727	Q	91	Very high	91.7	Very high	112 Å²	112	52.5 Å²	52.5	52%	0.523	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.4	178.5	-72.8	176	9.8	0	0	114.3	Q723 I725 L729 K734	Q723-Q727 HydrophobicContact CG-CG 4.48Å; Q723-Q727 VanDerWaalsContact CG-NE2 3.29Å; Q723-Q727 WeakPolarHBondContact O-CG 3.49Å; Q723-Q727 PolarHBondContact O-N 2.75Å; I725-Q727 PolarHBondContact O-N 3.06Å; Q727-L729 VanDerWaalsContact C-N 3.29Å; Q727-L729 PolarHBondContact O-N 3.45Å; Q727-K734 PolarHBondContact O-NZ 3.08Å
728	T	91.4	Very high	91.4	Very high	105 Å²	105	56.6 Å²	56.6	64%	0.644	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.6	179.5	69.5	0	0	0	0	114	I725 F726	I725-T728 PolarHBondContact O-N 3.1Å; I725-T728 VanDerWaalsContact O-N 3.13Å; I725-T728 PolarHBondContact O-OG1 3.01Å; F726-T728 VanDerWaalsContact C-N 3.29Å; F726-T728 PolarHBondContact O-N 3.01Å
729	L	93.8	Very high	91.5	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.026	28%	0.28	C	S	.	.	S	Bend	trans	-71.4	154.6	-178.5	-64.1	175.7	0	0	0	112.8	L644 L650 I693 L721 F726 Q727 I733 K734	L644-L729 HydrophobicContact CD2-CD2 4.06Å; L650-L729 HydrophobicContact CD1-CD2 3.93Å; L650-L729 HydrophobicContact CD2-CD2 4.16Å; I693-L729 HydrophobicContact CG2-CD1 3.68Å; L721-L729 HydrophobicContact CD1-CD1 3.78Å; F726-L729 HydrophobicContact CD2-CD1 4.04Å; F726-L729 HydrophobicContact CE2-CD1 4.5Å; F726-L729 WeakPolarHBondContact O-CB 3.39Å; F726-L729 PolarHBondContact O-N 3.39Å; Q727-L729 VanDerWaalsContact C-N 3.29Å; Q727-L729 PolarHBondContact O-N 3.45Å; L729-I733 HydrophobicContact CB-CB 4.48Å; L729-I733 HydrophobicContact CB-CG2 4.48Å; L729-I733 HydrophobicContact CD1-CG2 3.93Å; L729-K734 HydrophobicContact CB-CD 4.32Å; L729-K734 HydrophobicContact CB-CG 3.93Å; L729-K734 WeakPolarHBondContact O-CD 3.1Å; L729-K734 WeakPolarHBondContact O-CE 3.31Å; L729-K734 PolarHBondContact O-NZ 2.65Å
730	P	93.6	Very high	91.5	Very high	36 Å²	36	59.9 Å²	59.9	23%	0.234	30%	0.301	C	S	.	.			trans	-53.2	144.7	168.6	-24.6	32.9	0	0	0	112.6	L650 E732 I733 K734	L650-P730 HydrophobicContact CB-CG 4.22Å; P730-E732 WeakPolarHBondContact CB-OE2 3.41Å; P730-E732 PolarHBondContact O-N 3.16Å; P730-I733 HydrophobicContact CB-CG1 4.49Å; P730-I733 HydrophobicContact CG-CD1 4.33Å; P730-I733 PolarHBondContact O-N 3.12Å; P730-K734 PolarHBondContact O-N 2.84Å; P730-K734 VanDerWaalsContact O-N 3.11Å
731	E	92.8	Very high	91.7	Very high	114 Å²	114	59.8 Å²	59.8	53%	0.533	30%	0.301	S	S	.	.	H	α-helix	trans	-56.5	-37.1	179.7	-59.1	-53.1	144.6	0	0	111.8	I733 K734 E735	E731-I733 PolarHBondContact O-N 3.47Å; E731-I733 VanDerWaalsContact O-N 3.15Å; E731-K734 VanDerWaalsContact CD-NZ 3.3Å; E731-K734 PolarHBondContact O-N 3.35Å; E731-K734 VanDerWaalsContact O-N 3.1Å; E731-K734 VanDerWaalsContact OE1-CE 3.27Å; E731-K734 WeakPolarHBondContact OE1-CE 3.47Å; E731-K734 IonicContact OE1-NZ 2.71Å; E731-K734 PolarHBondContact OE1-NZ 3.01Å; E731-K734 WeakPolarHBondContact OE2-CE 3.23Å; E731-K734 IonicContact OE2-NZ 3.25Å; E731-K734 PolarHBondContact OE2-NZ 2.58Å; E731-E735 WeakPolarHBondContact O-CB 3.23Å; E731-E735 VanDerWaalsContact O-CG 3.28Å; E731-E735 WeakPolarHBondContact O-CG 3.42Å; E731-E735 PolarHBondContact O-N 2.92Å
732	E	91.1	Very high	92.1	Very high	64 Å²	64	62.4 Å²	62.4	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-58.1	-30.6	176.9	-61.6	85.9	174.8	0	0	113.2	P730 R737	P730-E732 WeakPolarHBondContact CB-OE2 3.41Å; P730-E732 PolarHBondContact O-N 3.16Å; E732-R737 VanDerWaalsContact CG-NH1 3.27Å; E732-R737 VanDerWaalsContact O-CB 3.22Å; E732-R737 WeakPolarHBondContact O-CB 3.33Å; E732-R737 WeakPolarHBondContact O-CD 3.12Å; E732-R737 WeakPolarHBondContact O-CG 3.39Å; E732-R737 PolarHBondContact O-N 2.83Å
733	I	93.7	Very high	92.6	Very high	1 Å²	1	62 Å²	62	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-85.1	-39.8	177.4	-61.2	-174.1	0	0	0	110.1	L650 L653 H654 I693 L729 P730 E731 G736 L739	L650-I733 HydrophobicContact CD2-CD1 4.17Å; L653-I733 HydrophobicContact CD2-CD1 4.45Å; H654-I733 HydrophobicContact CB-CD1 4.27Å; H654-I733 HydrophobicContact CB-CG1 3.9Å; I693-I733 HydrophobicContact CB-CG2 3.86Å; I693-I733 HydrophobicContact CD1-CG2 3.72Å; I693-I733 HydrophobicContact CG1-CG2 4.25Å; I693-I733 HydrophobicContact CG2-CG2 4.4Å; L729-I733 HydrophobicContact CB-CB 4.48Å; L729-I733 HydrophobicContact CB-CG2 4.48Å; L729-I733 HydrophobicContact CD1-CG2 3.93Å; P730-I733 HydrophobicContact CB-CG1 4.49Å; P730-I733 HydrophobicContact CG-CD1 4.33Å; P730-I733 PolarHBondContact O-N 3.12Å; E731-I733 PolarHBondContact O-N 3.47Å; E731-I733 VanDerWaalsContact O-N 3.15Å; I733-G736 WeakPolarHBondContact O-CA 3.48Å; I733-G736 PolarHBondContact O-N 3.43Å; I733-L739 HydrophobicContact CG1-CD2 4.48Å
734	K	92.9	Very high	93	Very high	55 Å²	55	57.3 Å²	57.3	24%	0.239	29%	0.288	C	S	.	.	H	α-helix	trans	-68.2	-32.9	178.8	-64	-176.5	-58.4	-164.9	0	113.3	F726 Q727 L729 P730 E731 G736	F726-K734 HydrophobicContact CD1-CG 4.42Å; F726-K734 HydrophobicContact CE1-CB 4.1Å; F726-K734 HydrophobicContact CE1-CD 4.42Å; F726-K734 HydrophobicContact CE1-CG 3.96Å; F726-K734 HydrophobicContact CZ-CB 4Å; F726-K734 HydrophobicContact CZ-CG 4.02Å; F726-K734 VanDerWaalsContact O-CD 3.27Å; F726-K734 WeakPolarHBondContact O-CD 3.33Å; Q727-K734 PolarHBondContact O-NZ 3.08Å; L729-K734 HydrophobicContact CB-CD 4.32Å; L729-K734 HydrophobicContact CB-CG 3.93Å; L729-K734 WeakPolarHBondContact O-CD 3.1Å; L729-K734 WeakPolarHBondContact O-CE 3.31Å; L729-K734 PolarHBondContact O-NZ 2.65Å; P730-K734 PolarHBondContact O-N 2.84Å; P730-K734 VanDerWaalsContact O-N 3.11Å; E731-K734 VanDerWaalsContact CD-NZ 3.3Å; E731-K734 PolarHBondContact O-N 3.35Å; E731-K734 VanDerWaalsContact O-N 3.1Å; E731-K734 VanDerWaalsContact OE1-CE 3.27Å; E731-K734 WeakPolarHBondContact OE1-CE 3.47Å; E731-K734 IonicContact OE1-NZ 2.71Å; E731-K734 PolarHBondContact OE1-NZ 3.01Å; E731-K734 WeakPolarHBondContact OE2-CE 3.23Å; E731-K734 IonicContact OE2-NZ 3.25Å; E731-K734 PolarHBondContact OE2-NZ 2.58Å; K734-G736 PolarHBondContact O-N 3.04Å; K734-G736 VanDerWaalsContact O-N 3.1Å
735	E	90.6	Very high	93.6	Very high	127 Å²	127	52.2 Å²	52.2	59%	0.593	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.2	166.1	-76.2	175.3	178.8	0	0	113	E731 R737	E731-E735 WeakPolarHBondContact O-CB 3.23Å; E731-E735 VanDerWaalsContact O-CG 3.28Å; E731-E735 WeakPolarHBondContact O-CG 3.42Å; E731-E735 PolarHBondContact O-N 2.92Å; E735-R737 HydrophobicContact CB-CG 4.48Å; E735-R737 IonicContact OE1-NH2 3.14Å; E735-R737 IonicContact OE2-CZ 2.77Å; E735-R737 IonicContact OE2-NE 3.83Å; E735-R737 PolarHBondContact OE2-NE 3.11Å; E735-R737 IonicContact OE2-NH2 2.94Å; E735-R737 PolarHBondContact OE2-NH2 3.33Å
736	G	86.3	Confident	94.1	Very high	15 Å²	15	50.3 Å²	50.3	16%	0.155	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	27.3	177	0	0	0	0	0	114.1	I733 K734	I733-G736 WeakPolarHBondContact O-CA 3.48Å; I733-G736 PolarHBondContact O-N 3.43Å; K734-G736 PolarHBondContact O-N 3.04Å; K734-G736 VanDerWaalsContact O-N 3.1Å
737	R	89.4	Confident	94.4	Very high	119 Å²	119	49.3 Å²	49.3	45%	0.449	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-61	139.5	177.8	-64.5	-179.2	-167	-178.8	5.8	110.8	E732 E735 L739	E732-R737 VanDerWaalsContact CG-NH1 3.27Å; E732-R737 VanDerWaalsContact O-CB 3.22Å; E732-R737 WeakPolarHBondContact O-CB 3.33Å; E732-R737 WeakPolarHBondContact O-CD 3.12Å; E732-R737 WeakPolarHBondContact O-CG 3.39Å; E732-R737 PolarHBondContact O-N 2.83Å; E735-R737 HydrophobicContact CB-CG 4.48Å; E735-R737 IonicContact OE1-NH2 3.14Å; E735-R737 IonicContact OE2-CZ 2.77Å; E735-R737 IonicContact OE2-NE 3.83Å; E735-R737 PolarHBondContact OE2-NE 3.11Å; E735-R737 IonicContact OE2-NH2 2.94Å; E735-R737 PolarHBondContact OE2-NH2 3.33Å; R737-L739 PolarHBondContact O-N 3.29Å
738	P	92	Very high	94.7	Very high	86 Å²	86	44 Å²	44	56%	0.558	22%	0.218	S	C	*	.	P	Polyproline II helix	trans	-70	118	-176.2	27.2	-34.2	0	0	0	111.7	T690	T690-P738 HydrophobicContact CG2-CB 3.99Å
739	L	97.2	Very high	95	Very high	3 Å²	3	39 Å²	39	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.8	176.3	-51.2	177.2	0	0	0	109	F636 L653 H654 F691 I693 I733 R737	F636-L739 HydrophobicContact CZ-CB 4.48Å; F636-L739 HydrophobicContact CZ-CD1 4.06Å; L653-L739 HydrophobicContact CD1-CB 4.3Å; L653-L739 HydrophobicContact CD1-CD1 4.19Å; L653-L739 HydrophobicContact CD2-CD1 4.05Å; L653-L739 HydrophobicContact CG-CD1 3.99Å; L653-L739 HydrophobicContact CG-CD2 4.21Å; H654-L739 HydrophobicContact CB-CD2 3.97Å; F691-L739 HydrophobicContact CB-CB 4.19Å; F691-L739 PolarHBondContact N-O 2.86Å; F691-L739 WeakPolarHBondContact O-CB 3.43Å; F691-L739 PolarHBondContact O-N 3.36Å; I693-L739 HydrophobicContact CD1-CD1 3.69Å; I693-L739 HydrophobicContact CG1-CD1 3.9Å; I733-L739 HydrophobicContact CG1-CD2 4.48Å; R737-L739 PolarHBondContact O-N 3.29Å
740	R	96.8	Very high	95.1	Very high	116 Å²	116	38.8 Å²	38.8	44%	0.438	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	148.2	-174.1	-61.9	-177.7	-57.4	168.5	9.4	111.6	V656 G657 L658 F742	V656-R740 PolarHBondContact O-NH2 3.46Å; G657-R740 CarbonylContact C-O 3.56Å; G657-R740 WeakPolarHBondContact CA-O 3.29Å; L658-R740 PolarHBondContact N-O 3.11Å; R740-F742 HydrophobicContact CB-CE2 4.25Å
741	V	97.9	Very high	95	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	135	171.6	-172.3	0	0	0	0	109.7	L632 F636 L658 A660 F691 P743 I837	L632-V741 HydrophobicContact CD1-CG1 3.95Å; F636-V741 HydrophobicContact CD2-CG2 3.8Å; F636-V741 HydrophobicContact CE2-CG2 4.12Å; L658-V741 CarbonylContact O-C 3.57Å; L658-V741 VanDerWaalsContact O-CA 3.29Å; L658-V741 WeakPolarHBondContact O-CA 3.23Å; A660-V741 HydrophobicContact CB-CG1 3.51Å; F691-V741 HydrophobicContact CD2-CG2 3.73Å; F691-V741 HydrophobicContact CE2-CG2 3.76Å; V741-P743 VanDerWaalsContact O-CD 3.25Å; V741-P743 WeakPolarHBondContact O-CD 3.48Å; V741-I837 HydrophobicContact CG1-CD1 4.42Å
742	F	98.3	Very high	95.1	Very high	54 Å²	54	34.5 Å²	34.5	24%	0.237	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	97.4	-177.9	-64.9	-92.5	0	0	0	109.1	V656 L658 A660 R740 Y780	V656-F742 WeakPolarHBondContact O-CE2 3.28Å; L658-F742 PolarHBondContact O-N 3.37Å; A660-F742 PolarHBondContact N-O 3.22Å; R740-F742 HydrophobicContact CB-CE2 4.25Å; F742-Y780 HydrophobicContact CB-CD2 4.13Å; F742-Y780 HydrophobicContact CD1-CD2 4.4Å; F742-Y780 AromaticContact CD2-CD2 3.42Å; F742-Y780 HydrophobicContact CD2-CD2 3.42Å; F742-Y780 VanDerWaalsContact CD2-CD2 3.42Å; F742-Y780 AromaticContact CD2-CE2 3.59Å; F742-Y780 HydrophobicContact CD2-CE2 3.59Å; F742-Y780 AromaticContact CE2-CD2 3.86Å; F742-Y780 HydrophobicContact CE2-CD2 3.86Å; F742-Y780 AromaticContact CE2-CE2 3.99Å; F742-Y780 HydrophobicContact CE2-CE2 3.99Å; F742-Y780 AromaticContact CG-CD2 3.72Å; F742-Y780 HydrophobicContact CG-CD2 3.72Å; F742-Y780 HydrophobicContact CG-CE2 4.3Å
743	P	98.4	Very high	95.3	Very high	13 Å²	13	33.6 Å²	33.6	8%	0.084	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.7	179.6	31	-36.6	0	0	0	110.8	A660 F662 I683 L686 Q687 V741	A660-P743 WeakPolarHBondContact O-CA 3.4Å; F662-P743 HydrophobicContact CE2-CB 4.43Å; I683-P743 HydrophobicContact CG2-CB 3.79Å; I683-P743 WeakPolarHBondContact O-CB 3.49Å; I683-P743 WeakPolarHBondContact O-CG 3.36Å; L686-P743 HydrophobicContact CB-CB 4.11Å; L686-P743 HydrophobicContact CB-CG 3.97Å; L686-P743 HydrophobicContact CD1-CB 4.44Å; Q687-P743 HydrophobicContact CB-CG 4.46Å; V741-P743 VanDerWaalsContact O-CD 3.25Å; V741-P743 WeakPolarHBondContact O-CD 3.48Å
744	V	98.7	Very high	95.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131	172.1	-63.5	0	0	0	0	111.1	V659 A660 Q661 F662 F746 N773 I776 L777	V659-V744 HydrophobicContact CG2-CG1 4.43Å; V659-V744 HydrophobicContact CG2-CG2 3.73Å; A660-V744 PolarHBondContact O-N 2.9Å; Q661-V744 WeakPolarHBondContact CA-O 3.29Å; Q661-V744 HydrophobicContact CB-CG2 3.87Å; Q661-V744 HydrophobicContact CG-CG2 3.93Å; F662-V744 PolarHBondContact N-O 3.18Å; V744-F746 HydrophobicContact CB-CE2 4.25Å; V744-F746 HydrophobicContact CG2-CE2 4.14Å; V744-N773 WeakPolarHBondContact CA-OD1 3.44Å; V744-N773 HydrophobicContact CB-CB 4.26Å; V744-I776 HydrophobicContact CG1-CB 3.98Å; V744-I776 HydrophobicContact CG1-CG2 3.57Å; V744-L777 HydrophobicContact CG1-CB 4.41Å
745	L	98.8	Very high	95.4	Very high	2 Å²	2	32 Å²	32	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.5	-178.8	176.1	60.4	0	0	0	111.5	F662 L676 M679 E680 I683 I769 N773	F662-L745 HydrophobicContact CB-CD1 3.95Å; F662-L745 WeakPolarHBondContact O-CA 3.37Å; L676-L745 HydrophobicContact CD1-CD2 4.36Å; M679-L745 HydrophobicContact CE-CD1 3.71Å; M679-L745 HydrophobicContact CG-CD1 4.44Å; M679-L745 HydrophobicContact CG-CD2 4.17Å; M679-L745 HydrophobicContact SD-CD1 4.39Å; E680-L745 HydrophobicContact CB-CD2 4.37Å; I683-L745 HydrophobicContact CD1-CD1 3.97Å; I683-L745 HydrophobicContact CD1-CD2 4.33Å; I683-L745 HydrophobicContact CG2-CB 4.3Å; L745-I769 HydrophobicContact CB-CG2 4.27Å; L745-I769 HydrophobicContact CD2-CG2 3.92Å; L745-I769 HydrophobicContact CG-CG2 3.8Å; L745-I769 WeakPolarHBondContact O-CG2 3.33Å; L745-N773 VanDerWaalsContact N-CG 3.25Å; L745-N773 PolarHBondContact N-OD1 3.14Å; L745-N773 WeakPolarHBondContact O-CB 3.47Å; L745-N773 PolarHBondContact O-ND2 3.49Å
746	F	98.8	Very high	95.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.8	168.8	-68.4	-88.2	0	0	0	110.1	Q661 F662 E663 S664 V744 N770 N773 F774 L777 L809 V813 I823 L824 A827	Q661-F746 HydrophobicContact CG-CD2 4.2Å; F662-F746 PolarHBondContact O-N 2.93Å; E663-F746 CarbonylContact C-O 3.55Å; E663-F746 WeakPolarHBondContact CA-O 3.45Å; S664-F746 PolarHBondContact N-O 2.86Å; V744-F746 HydrophobicContact CB-CE2 4.25Å; V744-F746 HydrophobicContact CG2-CE2 4.14Å; F746-N770 WeakPolarHBondContact CA-OD1 3.45Å; F746-N770 HydrophobicContact CD1-CB 4.31Å; F746-N773 HydrophobicContact CE2-CB 4.3Å; F746-N773 HydrophobicContact CZ-CB 4.22Å; F746-F774 HydrophobicContact CE1-CB 4.29Å; F746-F774 HydrophobicContact CZ-CB 4.41Å; F746-L777 HydrophobicContact CE2-CD2 4.2Å; F746-L777 HydrophobicContact CZ-CD2 4.18Å; F746-L809 HydrophobicContact CE1-CD1 4.36Å; F746-L809 HydrophobicContact CE1-CD2 4.21Å; F746-L809 HydrophobicContact CZ-CD2 4.01Å; F746-V813 HydrophobicContact CE1-CG2 4.36Å; F746-I823 HydrophobicContact CB-CG2 4.4Å; F746-I823 HydrophobicContact CD1-CG2 3.71Å; F746-I823 HydrophobicContact CE1-CG2 4.48Å; F746-I823 HydrophobicContact CG-CG2 4.42Å; F746-L824 HydrophobicContact CB-CD2 3.93Å; F746-L824 WeakPolarHBondContact O-CD2 3.22Å; F746-A827 HydrophobicContact CB-CB 4.48Å; F746-A827 HydrophobicContact CD1-CB 4.44Å; F746-A827 HydrophobicContact CD2-CB 3.6Å; F746-A827 HydrophobicContact CE2-CB 3.84Å; F746-A827 HydrophobicContact CG-CB 3.92Å; F746-A827 HydrophobicContact CZ-CB 4.36Å
747	N	98.6	Very high	95.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.3	-179.6	-172.4	92.6	0	0	0	111.7	S664 L666 L676 Q766 N770	S664-N747 WeakPolarHBondContact CB-OD1 3.48Å; S664-N747 VanDerWaalsContact O-CA 3.31Å; S664-N747 WeakPolarHBondContact O-CA 3.48Å; S664-N747 PolarHBondContact O-OD1 2.85Å; S664-N747 PolarHBondContact OG-OD1 3.47Å; L666-N747 PolarHBondContact O-ND2 3.11Å; L666-N747 PolarHBondContact O-OD1 3.3Å; L676-N747 HydrophobicContact CD1-CB 4.06Å; L676-N747 WeakPolarHBondContact CD1-OD1 3.33Å; L676-N747 HydrophobicContact CD2-CB 4.28Å; N747-Q766 HydrophobicContact CB-CG 4.21Å; N747-Q766 PolarHBondContact ND2-OE1 3.29Å; N747-Q766 VanDerWaalsContact O-CD 3.22Å; N747-Q766 WeakPolarHBondContact O-CG 3.43Å; N747-Q766 PolarHBondContact O-OE1 3.39Å; N747-N770 PolarHBondContact N-OD1 2.94Å; N747-N770 PolarHBondContact O-ND2 3.04Å; N747-N770 PolarHBondContact O-OD1 3.18Å
748	V	98.1	Very high	96.1	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	12%	0.124	C	C	.	.			trans	-140.8	111.7	163	-177.1	0	0	0	0	109.4	S664 I750 V821 I823 L824	S664-V748 PolarHBondContact O-N 3.41Å; V748-I750 PolarHBondContact O-N 3.07Å; V748-V821 HydrophobicContact CG1-CG1 4.09Å; V748-I823 HydrophobicContact CG2-CB 4.19Å; V748-I823 HydrophobicContact CG2-CD1 4.38Å; V748-L824 HydrophobicContact CB-CD1 3.79Å; V748-L824 HydrophobicContact CB-CD2 4.31Å; V748-L824 HydrophobicContact CB-CG 3.96Å; V748-L824 HydrophobicContact CG2-CD1 4.17Å; V748-L824 HydrophobicContact CG2-CD2 3.92Å; V748-L824 HydrophobicContact CG2-CG 3.75Å
749	G	97.1	Very high	96.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.128	C	C	.	.			trans	-65	127.4	174.4	0	0	0	0	0	112.5	L666 Q754 Q766	L666-G749 WeakPolarHBondContact O-CA 3.39Å; L666-G749 PolarHBondContact O-N 3.44Å; G749-Q754 WeakPolarHBondContact O-CB 3.23Å; G749-Q754 VanDerWaalsContact O-CG 3.26Å; G749-Q754 WeakPolarHBondContact O-CG 3.41Å; G749-Q766 VanDerWaalsContact N-OE1 3.17Å
750	I	95.4	Very high	95.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.162	C	C	.	.			trans	-103.9	-16.1	-179.6	63.5	170.5	0	0	0	114.6	L665 V748 K819 V821 R848 F908 Y912	L665-I750 HydrophobicContact CB-CG1 4.43Å; L665-I750 HydrophobicContact CD1-CD1 4.34Å; L665-I750 HydrophobicContact CD2-CD1 4.29Å; L665-I750 HydrophobicContact CD2-CG2 4.03Å; V748-I750 PolarHBondContact O-N 3.07Å; I750-K819 PolarHBondContact O-NZ 3.4Å; I750-V821 HydrophobicContact CG2-CG1 3.85Å; I750-R848 HydrophobicContact CD1-CB 4.18Å; I750-R848 HydrophobicContact CD1-CG 4.14Å; I750-R848 HydrophobicContact CG1-CG 4.38Å; I750-F908 HydrophobicContact CD1-CD1 4.08Å; I750-F908 HydrophobicContact CD1-CE1 3.86Å; I750-F908 HydrophobicContact CG1-CD1 4.42Å; I750-F908 HydrophobicContact CG1-CE1 4.17Å; I750-Y912 HydrophobicContact CD1-CD1 3.5Å; I750-Y912 HydrophobicContact CD1-CE1 4.09Å; I750-Y912 HydrophobicContact CD1-CG 4.15Å
751	N	93.2	Very high	95.5	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.037	16%	0.161	C	C	.	.	S	Bend	trans	-85.6	-178.1	-168.7	74	-11.5	0	0	0	114.6	S667 Q753 Q754 T755 K819 R848 F908	S667-N751 WeakPolarHBondContact CB-OD1 3.38Å; N751-Q753 VanDerWaalsContact C-N 3.29Å; N751-Q753 PolarHBondContact ND2-OE1 3.39Å; N751-Q753 PolarHBondContact O-N 3.16Å; N751-Q753 PolarHBondContact OD1-N 2.95Å; N751-Q754 PolarHBondContact O-N 2.99Å; N751-Q754 PolarHBondContact OD1-N 2.81Å; N751-T755 PolarHBondContact O-N 2.88Å; N751-K819 PolarHBondContact O-NZ 2.99Å; N751-R848 PolarHBondContact ND2-NH1 3.17Å; N751-F908 HydrophobicContact CB-CE2 3.84Å; N751-F908 HydrophobicContact CB-CZ 4.09Å
752	E	94.3	Very high	95.1	Very high	53 Å²	53	37.2 Å²	37.2	25%	0.248	18%	0.182	C	C	.	.	H	α-helix	trans	-59.3	-37.2	174.3	72.1	-75.3	-171.8	0	0	113	Q754 T755 I756 Q904 A907	E752-Q754 VanDerWaalsContact C-N 3.32Å; E752-Q754 PolarHBondContact O-N 3.43Å; E752-T755 WeakPolarHBondContact O-CA 3.39Å; E752-T755 VanDerWaalsContact O-CB 3.3Å; E752-T755 WeakPolarHBondContact O-CB 3.42Å; E752-T755 PolarHBondContact O-N 2.89Å; E752-I756 PolarHBondContact O-N 3.09Å; E752-I756 VanDerWaalsContact O-N 3.14Å; E752-Q904 HydrophobicContact CG-CG 4.26Å; E752-Q904 PolarHBondContact OE1-NE2 3.17Å; E752-A907 HydrophobicContact CB-CB 3.86Å
753	Q	94.2	Very high	94.9	Very high	46 Å²	46	36.9 Å²	36.9	22%	0.215	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-35.6	178.2	-64.6	-177	-41.1	0	0	111.9	S667 N751 T755 I756 A757	S667-Q753 VanDerWaalsContact OG-CB 3.3Å; S667-Q753 WeakPolarHBondContact OG-CB 3.26Å; S667-Q753 PolarHBondContact OG-OE1 2.84Å; N751-Q753 VanDerWaalsContact C-N 3.29Å; N751-Q753 PolarHBondContact ND2-OE1 3.39Å; N751-Q753 PolarHBondContact O-N 3.16Å; N751-Q753 PolarHBondContact OD1-N 2.95Å; Q753-T755 VanDerWaalsContact C-N 3.35Å; Q753-T755 PolarHBondContact O-N 3.31Å; Q753-I756 WeakPolarHBondContact O-CB 3.46Å; Q753-I756 PolarHBondContact O-N 3.05Å; Q753-I756 VanDerWaalsContact O-N 3.16Å; Q753-A757 PolarHBondContact O-N 2.91Å
754	Q	96	Very high	94.8	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-66.1	-36.1	171.2	-168.8	63.4	25	0	0	112.3	T668 G749 N751 E752 I756 A757 E758 K819	T668-Q754 PolarHBondContact OG1-NE2 3.35Å; T668-Q754 PolarHBondContact OG1-OE1 3.01Å; G749-Q754 WeakPolarHBondContact O-CB 3.23Å; G749-Q754 VanDerWaalsContact O-CG 3.26Å; G749-Q754 WeakPolarHBondContact O-CG 3.41Å; N751-Q754 PolarHBondContact O-N 2.99Å; N751-Q754 PolarHBondContact OD1-N 2.81Å; E752-Q754 VanDerWaalsContact C-N 3.32Å; E752-Q754 PolarHBondContact O-N 3.43Å; Q754-I756 PolarHBondContact O-N 3.01Å; Q754-A757 WeakPolarHBondContact O-CB 3.41Å; Q754-A757 PolarHBondContact O-N 3.1Å; Q754-A757 VanDerWaalsContact O-N 3.15Å; Q754-E758 HydrophobicContact CG-CG 4.2Å; Q754-E758 WeakPolarHBondContact O-CB 3.18Å; Q754-E758 VanDerWaalsContact O-CG 3.25Å; Q754-E758 WeakPolarHBondContact O-CG 3.19Å; Q754-E758 PolarHBondContact O-N 3.28Å; Q754-K819 HydrophobicContact CG-CG 4.48Å
755	T	94.3	Very high	94.7	Very high	20 Å²	20	39 Å²	39	12%	0.123	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-32	173.5	-59.2	0	0	0	0	111.8	N751 E752 Q753 R759 R818 K819	N751-T755 PolarHBondContact O-N 2.88Å; E752-T755 WeakPolarHBondContact O-CA 3.39Å; E752-T755 VanDerWaalsContact O-CB 3.3Å; E752-T755 WeakPolarHBondContact O-CB 3.42Å; E752-T755 PolarHBondContact O-N 2.89Å; Q753-T755 VanDerWaalsContact C-N 3.35Å; Q753-T755 PolarHBondContact O-N 3.31Å; T755-R759 WeakPolarHBondContact O-CB 3.43Å; T755-R759 WeakPolarHBondContact O-CG 2.92Å; T755-R759 PolarHBondContact O-N 2.56Å; T755-R818 PolarHBondContact OG1-NH2 3.04Å; T755-K819 WeakPolarHBondContact OG1-CE 3.48Å; T755-K819 PolarHBondContact OG1-NZ 2.76Å
756	I	93.6	Very high	94.6	Very high	62 Å²	62	39.9 Å²	39.9	32%	0.318	20%	0.201	S	C	.	.	H	α-helix	trans	-72.2	-45	174.5	-59.5	169.9	0	0	0	109.8	Y669 E752 Q753 Q754 E758 R759 F760 G761	Y669-I756 HydrophobicContact CD1-CB 4.48Å; Y669-I756 HydrophobicContact CD1-CG2 4.25Å; Y669-I756 HydrophobicContact CD2-CG2 4.11Å; Y669-I756 HydrophobicContact CE1-CB 4.45Å; Y669-I756 HydrophobicContact CE1-CG2 3.8Å; Y669-I756 HydrophobicContact CE2-CG2 3.65Å; Y669-I756 HydrophobicContact CG-CG2 4.4Å; Y669-I756 VanDerWaalsContact CZ-CG2 3.48Å; E752-I756 PolarHBondContact O-N 3.09Å; E752-I756 VanDerWaalsContact O-N 3.14Å; Q753-I756 WeakPolarHBondContact O-CB 3.46Å; Q753-I756 PolarHBondContact O-N 3.05Å; Q753-I756 VanDerWaalsContact O-N 3.16Å; Q754-I756 PolarHBondContact O-N 3.01Å; I756-E758 PolarHBondContact O-N 2.87Å; I756-R759 PolarHBondContact O-N 3.15Å; I756-F760 HydrophobicContact CG2-CD2 4.32Å; I756-F760 PolarHBondContact O-N 2.85Å; I756-G761 PolarHBondContact O-N 2.93Å
757	A	93.5	Very high	94.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-54.8	-50.3	174.8	0	0	0	0	0	112.4	T668 Q753 Q754 R759 G761 I763	T668-A757 WeakPolarHBondContact OG1-CB 3.49Å; Q753-A757 PolarHBondContact O-N 2.91Å; Q754-A757 WeakPolarHBondContact O-CB 3.41Å; Q754-A757 PolarHBondContact O-N 3.1Å; Q754-A757 VanDerWaalsContact O-N 3.15Å; A757-R759 PolarHBondContact O-N 3.43Å; A757-G761 CarbonylContact O-C 3.15Å; A757-G761 VanDerWaalsContact O-C 3.29Å; A757-G761 WeakPolarHBondContact O-CA 3.42Å; A757-G761 PolarHBondContact O-N 3.03Å; A757-I763 HydrophobicContact CB-CG2 4.12Å
758	E	93.4	Very high	94.4	Very high	53 Å²	53	48 Å²	48	25%	0.248	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-22.9	-179.6	-69.3	174.2	142.6	0	0	114.4	Q754 I756 R818 K819	Q754-E758 HydrophobicContact CG-CG 4.2Å; Q754-E758 WeakPolarHBondContact O-CB 3.18Å; Q754-E758 VanDerWaalsContact O-CG 3.25Å; Q754-E758 WeakPolarHBondContact O-CG 3.19Å; Q754-E758 PolarHBondContact O-N 3.28Å; I756-E758 PolarHBondContact O-N 2.87Å; E758-R818 VanDerWaalsContact CD-CG 3.4Å; E758-R818 VanDerWaalsContact OE1-CG 3.24Å; E758-R818 WeakPolarHBondContact OE1-CG 3.48Å; E758-R818 WeakPolarHBondContact OE2-CG 3.31Å; E758-R818 IonicContact OE2-CZ 2.75Å; E758-R818 IonicContact OE2-NE 3.67Å; E758-R818 PolarHBondContact OE2-NE 3.35Å; E758-K819 WeakPolarHBondContact OE1-CG 3.26Å; E758-K819 PolarHBondContact OE1-N 3.12Å
759	R	92.7	Very high	94.4	Very high	171 Å²	171	48 Å²	48	65%	0.645	23%	0.234	S	C	*	.	H	α-helix	trans	-104	-32.9	-176.2	-73.5	-178.3	171.6	-160.7	-3.7	113.9	T755 I756 A757	T755-R759 WeakPolarHBondContact O-CB 3.43Å; T755-R759 WeakPolarHBondContact O-CG 2.92Å; T755-R759 PolarHBondContact O-N 2.56Å; I756-R759 PolarHBondContact O-N 3.15Å; A757-R759 PolarHBondContact O-N 3.43Å
760	F	91.8	Very high	94.5	Very high	166 Å²	166	48.1 Å²	48.1	73%	0.728	24%	0.235	S	C	*	.	H	α-helix	trans	-143.6	-4.2	-165.5	-53.3	-65.8	0	0	0	114	I756	I756-F760 HydrophobicContact CG2-CD2 4.32Å; I756-F760 PolarHBondContact O-N 2.85Å
761	G	88.9	Confident	94.7	Very high	41 Å²	41	51 Å²	51	42%	0.423	25%	0.249	S	C	.	.	S	Bend	trans	-119.1	-158.8	-177.4	0	0	0	0	0	112.3	I756 A757	I756-G761 PolarHBondContact O-N 2.93Å; A757-G761 CarbonylContact O-C 3.15Å; A757-G761 VanDerWaalsContact O-C 3.29Å; A757-G761 WeakPolarHBondContact O-CA 3.42Å; A757-G761 PolarHBondContact O-N 3.03Å
762	D	89.8	Confident	94.9	Very high	88 Å²	88	54.6 Å²	54.6	47%	0.471	26%	0.264	S	S	.	.			trans	-111.2	141.1	177.2	-174.1	17.1	0	0	0	110.6	T668 S764	T668-D762 VanDerWaalsContact CB-O 3.27Å; T668-D762 WeakPolarHBondContact CB-O 3.47Å; T668-D762 PolarHBondContact OG1-O 3.46Å; D762-S764 VanDerWaalsContact CG-OG 3.25Å; D762-S764 WeakPolarHBondContact OD1-CB 3.34Å; D762-S764 PolarHBondContact OD1-N 2.6Å; D762-S764 PolarHBondContact OD1-OG 3.33Å; D762-S764 VanDerWaalsContact OD1-OG 3.13Å; D762-S764 PolarHBondContact OD2-OG 3.36Å
763	I	94.2	Very high	95.1	Very high	48 Å²	48	52.6 Å²	52.6	25%	0.246	26%	0.255	C	S	.	.			trans	-120.4	-0.6	175.1	65.2	172.3	0	0	0	112.3	A757 L765 Q766 E767	A757-I763 HydrophobicContact CB-CG2 4.12Å; I763-L765 PolarHBondContact O-N 2.96Å; I763-L765 VanDerWaalsContact O-N 3.16Å; I763-Q766 WeakPolarHBondContact O-CB 3.38Å; I763-Q766 PolarHBondContact O-N 3.36Å; I763-E767 HydrophobicContact CG1-CG 4.44Å; I763-E767 PolarHBondContact O-N 3.49Å; I763-E767 VanDerWaalsContact O-N 3.11Å
764	S	95.6	Very high	95.3	Very high	51 Å²	51	51.3 Å²	51.3	36%	0.357	25%	0.249	S	C	.	.	H	α-helix	trans	-55.7	-34.7	-176.6	72.8	0	0	0	0	113.3	D762 Q766 E767 R768	D762-S764 VanDerWaalsContact CG-OG 3.25Å; D762-S764 WeakPolarHBondContact OD1-CB 3.34Å; D762-S764 PolarHBondContact OD1-N 2.6Å; D762-S764 PolarHBondContact OD1-OG 3.33Å; D762-S764 VanDerWaalsContact OD1-OG 3.13Å; D762-S764 PolarHBondContact OD2-OG 3.36Å; S764-Q766 VanDerWaalsContact C-N 3.35Å; S764-Q766 PolarHBondContact O-N 3.35Å; S764-E767 PolarHBondContact O-N 3.27Å; S764-R768 VanDerWaalsContact O-CB 3.3Å; S764-R768 WeakPolarHBondContact O-CB 3.29Å; S764-R768 PolarHBondContact O-N 2.77Å
765	L	96.3	Very high	95.5	Very high	6 Å²	6	56 Å²	56	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-45.7	173.4	177.1	61.9	0	0	0	111.7	T668 I673 L676 E677 I763 I769	T668-L765 HydrophobicContact CG2-CB 4.45Å; I673-L765 HydrophobicContact CD1-CD2 4.29Å; I673-L765 HydrophobicContact CG1-CD2 3.5Å; L676-L765 HydrophobicContact CB-CD2 4.15Å; L676-L765 HydrophobicContact CD2-CD2 3.86Å; L676-L765 HydrophobicContact CD2-CG 4.04Å; L676-L765 HydrophobicContact CG-CD2 4Å; L676-L765 HydrophobicContact CG-CG 4.35Å; E677-L765 HydrophobicContact CG-CD1 4.38Å; E677-L765 HydrophobicContact CG-CD2 3.82Å; I763-L765 PolarHBondContact O-N 2.96Å; I763-L765 VanDerWaalsContact O-N 3.16Å; L765-I769 HydrophobicContact CD1-CD1 3.75Å; L765-I769 HydrophobicContact CD1-CG1 4.31Å; L765-I769 HydrophobicContact CG-CD1 3.93Å; L765-I769 WeakPolarHBondContact O-CB 3.46Å; L765-I769 WeakPolarHBondContact O-CD1 3.46Å; L765-I769 WeakPolarHBondContact O-CG1 3.4Å; L765-I769 PolarHBondContact O-N 2.81Å
766	Q	97	Very high	95.6	Very high	21 Å²	21	57.8 Å²	57.8	10%	0.098	28%	0.279	C	S	.	.	H	α-helix	trans	-69.2	-43.2	179.2	-178.1	-177.8	-83.2	0	0	111.3	T668 N747 G749 I763 S764 I769 N770	T668-Q766 HydrophobicContact CG2-CB 3.71Å; N747-Q766 HydrophobicContact CB-CG 4.21Å; N747-Q766 PolarHBondContact ND2-OE1 3.29Å; N747-Q766 VanDerWaalsContact O-CD 3.22Å; N747-Q766 WeakPolarHBondContact O-CG 3.43Å; N747-Q766 PolarHBondContact O-OE1 3.39Å; G749-Q766 VanDerWaalsContact N-OE1 3.17Å; I763-Q766 WeakPolarHBondContact O-CB 3.38Å; I763-Q766 PolarHBondContact O-N 3.36Å; S764-Q766 VanDerWaalsContact C-N 3.35Å; S764-Q766 PolarHBondContact O-N 3.35Å; Q766-I769 PolarHBondContact O-N 2.96Å; Q766-N770 WeakPolarHBondContact O-CB 3.28Å; Q766-N770 VanDerWaalsContact O-CG 3.25Å; Q766-N770 PolarHBondContact O-N 3.15Å; Q766-N770 PolarHBondContact O-ND2 3.21Å
767	E	96.3	Very high	95.9	Very high	72 Å²	72	54.9 Å²	54.9	34%	0.336	26%	0.264	S	S	.	.	H	α-helix	trans	-60.1	-48	177	-65.6	178.8	149.9	0	0	110.6	I763 S764 N770 Q771	I763-E767 HydrophobicContact CG1-CG 4.44Å; I763-E767 PolarHBondContact O-N 3.49Å; I763-E767 VanDerWaalsContact O-N 3.11Å; S764-E767 PolarHBondContact O-N 3.27Å; E767-N770 PolarHBondContact O-N 3.4Å; E767-Q771 VanDerWaalsContact O-CB 3.31Å; E767-Q771 WeakPolarHBondContact O-CB 3.49Å; E767-Q771 PolarHBondContact O-N 3.22Å
768	R	97.7	Very high	96.1	Very high	99 Å²	99	59.6 Å²	59.6	37%	0.374	29%	0.285	S	S	.	.	H	α-helix	trans	-58.5	-48.6	175.5	-177.3	-173.1	74.1	-137.3	14.2	112.6	E680 S764 Q771 K772	E680-R768 VanDerWaalsContact CD-NH2 3.3Å; E680-R768 IonicContact OE1-CZ 3.76Å; E680-R768 IonicContact OE1-NE 2.98Å; E680-R768 PolarHBondContact OE1-NE 2.68Å; E680-R768 IonicContact OE1-NH2 2.64Å; E680-R768 PolarHBondContact OE1-NH2 2.78Å; E680-R768 IonicContact OE2-CZ 3.32Å; E680-R768 IonicContact OE2-NH2 2.82Å; E680-R768 PolarHBondContact OE2-NH2 3.33Å; S764-R768 VanDerWaalsContact O-CB 3.3Å; S764-R768 WeakPolarHBondContact O-CB 3.29Å; S764-R768 PolarHBondContact O-N 2.77Å; R768-Q771 PolarHBondContact O-N 3.33Å; R768-K772 WeakPolarHBondContact O-CB 3.47Å; R768-K772 PolarHBondContact O-N 3.3Å
769	I	98.4	Very high	96.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60	-50.5	-179.9	-74.9	169.1	0	0	0	109.7	L676 E680 L745 L765 Q766 Q771 K772 N773	L676-I769 HydrophobicContact CD1-CD1 3.83Å; L676-I769 HydrophobicContact CD2-CD1 4.02Å; L676-I769 HydrophobicContact CG-CD1 3.68Å; E680-I769 HydrophobicContact CB-CD1 3.95Å; E680-I769 HydrophobicContact CB-CG1 4.37Å; E680-I769 HydrophobicContact CG-CD1 4.07Å; E680-I769 HydrophobicContact CG-CG1 3.93Å; L745-I769 HydrophobicContact CB-CG2 4.27Å; L745-I769 HydrophobicContact CD2-CG2 3.92Å; L745-I769 HydrophobicContact CG-CG2 3.8Å; L745-I769 WeakPolarHBondContact O-CG2 3.33Å; L765-I769 HydrophobicContact CD1-CD1 3.75Å; L765-I769 HydrophobicContact CD1-CG1 4.31Å; L765-I769 HydrophobicContact CG-CD1 3.93Å; L765-I769 WeakPolarHBondContact O-CB 3.46Å; L765-I769 WeakPolarHBondContact O-CD1 3.46Å; L765-I769 WeakPolarHBondContact O-CG1 3.4Å; L765-I769 PolarHBondContact O-N 2.81Å; Q766-I769 PolarHBondContact O-N 2.96Å; I769-Q771 PolarHBondContact O-N 3.11Å; I769-K772 PolarHBondContact O-N 3.43Å; I769-N773 WeakPolarHBondContact O-CB 3.15Å; I769-N773 PolarHBondContact O-N 3.25Å; I769-N773 PolarHBondContact O-ND2 3.05Å
770	N	98.6	Very high	96.6	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-64.6	-39.8	-177.6	-68.6	-12.8	0	0	0	112.2	F746 N747 Q766 E767 F774 V813	F746-N770 WeakPolarHBondContact CA-OD1 3.45Å; F746-N770 HydrophobicContact CD1-CB 4.31Å; N747-N770 PolarHBondContact N-OD1 2.94Å; N747-N770 PolarHBondContact O-ND2 3.04Å; N747-N770 PolarHBondContact O-OD1 3.18Å; Q766-N770 WeakPolarHBondContact O-CB 3.28Å; Q766-N770 VanDerWaalsContact O-CG 3.25Å; Q766-N770 PolarHBondContact O-N 3.15Å; Q766-N770 PolarHBondContact O-ND2 3.21Å; E767-N770 PolarHBondContact O-N 3.4Å; N770-F774 WeakPolarHBondContact O-CB 3.32Å; N770-F774 PolarHBondContact O-N 3.31Å; N770-V813 HydrophobicContact CB-CG1 3.97Å; N770-V813 HydrophobicContact CB-CG2 4.27Å
771	Q	98.6	Very high	96.8	Very high	62 Å²	62	44.7 Å²	44.7	29%	0.29	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-53	177	-176.8	58.5	45.4	0	0	111.9	E767 R768 I769 N773 F774 E775 V813	E767-Q771 VanDerWaalsContact O-CB 3.31Å; E767-Q771 WeakPolarHBondContact O-CB 3.49Å; E767-Q771 PolarHBondContact O-N 3.22Å; R768-Q771 PolarHBondContact O-N 3.33Å; I769-Q771 PolarHBondContact O-N 3.11Å; Q771-N773 VanDerWaalsContact C-N 3.27Å; Q771-N773 PolarHBondContact O-N 2.89Å; Q771-F774 WeakPolarHBondContact O-CB 3.43Å; Q771-F774 PolarHBondContact O-N 3.46Å; Q771-E775 WeakPolarHBondContact CG-OE1 3.32Å; Q771-E775 PolarHBondContact NE2-OE1 3.45Å; Q771-E775 PolarHBondContact O-N 3.14Å; Q771-V813 HydrophobicContact CB-CG1 4.22Å
772	K	98.4	Very high	97.1	Very high	81 Å²	81	48.8 Å²	48.8	35%	0.352	24%	0.24	S	C	.	.	H	α-helix	trans	-56.9	-41	178.1	-179.4	-171.5	172.5	-166.7	0	112.1	S684 R768 I769 I776	S684-K772 PolarHBondContact OG-NZ 3.44Å; R768-K772 WeakPolarHBondContact O-CB 3.47Å; R768-K772 PolarHBondContact O-N 3.3Å; I769-K772 PolarHBondContact O-N 3.43Å; K772-I776 HydrophobicContact CG-CD1 4.29Å; K772-I776 WeakPolarHBondContact O-CG1 3.36Å; K772-I776 PolarHBondContact O-N 2.83Å
773	N	98.6	Very high	97.4	Very high	12 Å²	12	47 Å²	47	6%	0.064	23%	0.232	C	C	.	.	H	α-helix	trans	-80.8	-22.9	-176.4	-73.4	-85.5	0	0	0	113.3	V744 L745 F746 I769 Q771 L777	V744-N773 WeakPolarHBondContact CA-OD1 3.44Å; V744-N773 HydrophobicContact CB-CB 4.26Å; L745-N773 VanDerWaalsContact N-CG 3.25Å; L745-N773 PolarHBondContact N-OD1 3.14Å; L745-N773 WeakPolarHBondContact O-CB 3.47Å; L745-N773 PolarHBondContact O-ND2 3.49Å; F746-N773 HydrophobicContact CE2-CB 4.3Å; F746-N773 HydrophobicContact CZ-CB 4.22Å; I769-N773 WeakPolarHBondContact O-CB 3.15Å; I769-N773 PolarHBondContact O-N 3.25Å; I769-N773 PolarHBondContact O-ND2 3.05Å; Q771-N773 VanDerWaalsContact C-N 3.27Å; Q771-N773 PolarHBondContact O-N 2.89Å; N773-L777 WeakPolarHBondContact O-CB 3.43Å; N773-L777 PolarHBondContact O-N 2.97Å; N773-L777 VanDerWaalsContact O-N 3.11Å
774	F	98.8	Very high	97.4	Very high	19 Å²	19	44.8 Å²	44.8	8%	0.083	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-47.5	166.1	173.1	-104.3	0	0	0	111.4	F746 N770 Q771 I776 L777 E778 L806 L809 V813	F746-F774 HydrophobicContact CE1-CB 4.29Å; F746-F774 HydrophobicContact CZ-CB 4.41Å; N770-F774 WeakPolarHBondContact O-CB 3.32Å; N770-F774 PolarHBondContact O-N 3.31Å; Q771-F774 WeakPolarHBondContact O-CB 3.43Å; Q771-F774 PolarHBondContact O-N 3.46Å; F774-I776 VanDerWaalsContact C-N 3.33Å; F774-I776 PolarHBondContact O-N 2.88Å; F774-L777 PolarHBondContact O-N 2.82Å; F774-L777 VanDerWaalsContact O-N 3.13Å; F774-E778 PolarHBondContact O-N 2.77Å; F774-L806 HydrophobicContact CE2-CD2 4.19Å; F774-L806 VanDerWaalsContact CE2-O 3.23Å; F774-L806 WeakPolarHBondContact CE2-O 3.3Å; F774-L809 HydrophobicContact CD2-CB 4.42Å; F774-L809 HydrophobicContact CD2-CD2 3.97Å; F774-L809 HydrophobicContact CD2-CG 3.89Å; F774-L809 HydrophobicContact CE2-CB 4.37Å; F774-L809 HydrophobicContact CE2-CG 4.34Å; F774-V813 HydrophobicContact CB-CG2 4.49Å
775	E	98.4	Very high	97.3	Very high	101 Å²	101	50.3 Å²	50.3	47%	0.472	23%	0.234	S	C	.	.	H	α-helix	trans	-59.7	-40.6	178.2	-68.1	160	-161.2	0	0	112.3	Q771 A779	Q771-E775 WeakPolarHBondContact CG-OE1 3.32Å; Q771-E775 PolarHBondContact NE2-OE1 3.45Å; Q771-E775 PolarHBondContact O-N 3.14Å; E775-A779 WeakPolarHBondContact O-CB 3.45Å; E775-A779 PolarHBondContact O-N 2.64Å
776	I	98.4	Very high	97.2	Very high	57 Å²	57	56.3 Å²	56.3	29%	0.292	26%	0.262	S	S	.	.	H	α-helix	trans	-64.5	-43	175.1	-64.1	165.2	0	0	0	111.1	V744 K772 F774 A779 Y780	V744-I776 HydrophobicContact CG1-CB 3.98Å; V744-I776 HydrophobicContact CG1-CG2 3.57Å; K772-I776 HydrophobicContact CG-CD1 4.29Å; K772-I776 WeakPolarHBondContact O-CG1 3.36Å; K772-I776 PolarHBondContact O-N 2.83Å; F774-I776 VanDerWaalsContact C-N 3.33Å; F774-I776 PolarHBondContact O-N 2.88Å; I776-A779 PolarHBondContact O-N 2.79Å; I776-Y780 WeakPolarHBondContact O-CB 3.36Å; I776-Y780 PolarHBondContact O-N 2.64Å
777	L	98.5	Very high	97	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-66.3	-41	179.7	-178.1	63.6	0	0	0	112.1	V659 V744 F746 N773 F774 Y780 Y781 L806 L809 I830 L834	V659-L777 HydrophobicContact CG2-CD1 3.9Å; V744-L777 HydrophobicContact CG1-CB 4.41Å; F746-L777 HydrophobicContact CE2-CD2 4.2Å; F746-L777 HydrophobicContact CZ-CD2 4.18Å; N773-L777 WeakPolarHBondContact O-CB 3.43Å; N773-L777 PolarHBondContact O-N 2.97Å; N773-L777 VanDerWaalsContact O-N 3.11Å; F774-L777 PolarHBondContact O-N 2.82Å; F774-L777 VanDerWaalsContact O-N 3.13Å; L777-Y780 PolarHBondContact O-N 2.79Å; L777-Y781 PolarHBondContact O-N 3.34Å; L777-L806 HydrophobicContact CD2-CD2 4Å; L777-L806 HydrophobicContact CG-CD2 3.99Å; L777-L809 HydrophobicContact CD2-CD2 3.85Å; L777-I830 HydrophobicContact CD1-CG2 4.25Å; L777-I830 HydrophobicContact CD2-CG2 3.99Å; L777-I830 HydrophobicContact CG-CG2 4.36Å; L777-L834 HydrophobicContact CD1-CD1 4.01Å
778	E	98.1	Very high	96.7	Very high	99 Å²	99	57 Å²	57	46%	0.463	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-44.5	175.8	-174.7	178.1	-120	0	0	111.5	F774 Y780 Y781 K782	F774-E778 PolarHBondContact O-N 2.77Å; E778-Y780 VanDerWaalsContact C-N 3.33Å; E778-Y780 PolarHBondContact O-N 3Å; E778-Y781 PolarHBondContact O-N 3.16Å; E778-K782 PolarHBondContact O-N 2.88Å
779	A	97.9	Very high	96.1	Very high	53 Å²	53	54.6 Å²	54.6	44%	0.438	26%	0.261	S	S	.	.	H	α-helix	trans	-62.5	-38.3	175.7	0	0	0	0	0	112.6	E775 I776 T783	E775-A779 WeakPolarHBondContact O-CB 3.45Å; E775-A779 PolarHBondContact O-N 2.64Å; I776-A779 PolarHBondContact O-N 2.79Å; A779-T783 PolarHBondContact O-N 2.98Å; A779-T783 VanDerWaalsContact O-N 3.11Å; A779-T783 PolarHBondContact O-OG1 3Å
780	Y	97.8	Very high	95.2	Very high	5 Å²	5	58 Å²	58	2%	0.02	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-48.8	172	172.1	-92.5	0	0	0	111.5	Q652 V656 G657 V659 F742 I776 L777 E778 K782 T783 L784 L834	Q652-Y780 PolarHBondContact NE2-OH 2.78Å; V656-Y780 HydrophobicContact CG1-CD2 4.39Å; V656-Y780 HydrophobicContact CG1-CE2 3.83Å; G657-Y780 PolarHBondContact O-OH 3.16Å; V659-Y780 HydrophobicContact CB-CD1 4.12Å; V659-Y780 HydrophobicContact CB-CE1 3.92Å; V659-Y780 HydrophobicContact CG1-CE1 4.1Å; F742-Y780 HydrophobicContact CB-CD2 4.13Å; F742-Y780 HydrophobicContact CD1-CD2 4.4Å; F742-Y780 AromaticContact CD2-CD2 3.42Å; F742-Y780 HydrophobicContact CD2-CD2 3.42Å; F742-Y780 VanDerWaalsContact CD2-CD2 3.42Å; F742-Y780 AromaticContact CD2-CE2 3.59Å; F742-Y780 HydrophobicContact CD2-CE2 3.59Å; F742-Y780 AromaticContact CE2-CD2 3.86Å; F742-Y780 HydrophobicContact CE2-CD2 3.86Å; F742-Y780 AromaticContact CE2-CE2 3.99Å; F742-Y780 HydrophobicContact CE2-CE2 3.99Å; F742-Y780 AromaticContact CG-CD2 3.72Å; F742-Y780 HydrophobicContact CG-CD2 3.72Å; F742-Y780 HydrophobicContact CG-CE2 4.3Å; I776-Y780 WeakPolarHBondContact O-CB 3.36Å; I776-Y780 PolarHBondContact O-N 2.64Å; L777-Y780 PolarHBondContact O-N 2.79Å; E778-Y780 VanDerWaalsContact C-N 3.33Å; E778-Y780 PolarHBondContact O-N 3Å; Y780-K782 VanDerWaalsContact C-N 3.32Å; Y780-K782 PolarHBondContact O-N 2.84Å; Y780-T783 WeakPolarHBondContact O-CB 3.21Å; Y780-T783 PolarHBondContact O-N 3.02Å; Y780-T783 VanDerWaalsContact O-N 3.13Å; Y780-L784 HydrophobicContact CE1-CD2 4.2Å; Y780-L784 WeakPolarHBondContact O-CB 3.38Å; Y780-L784 PolarHBondContact O-N 3.18Å; Y780-L834 HydrophobicContact CD1-CD1 4.21Å; Y780-L834 HydrophobicContact CE1-CB 4.29Å; Y780-L834 HydrophobicContact CE1-CD1 4.14Å
781	Y	96.9	Very high	94.3	Very high	20 Å²	20	65.6 Å²	65.6	8%	0.078	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-41.5	178.9	173.6	-117	0	0	0	112.4	L777 E778 T783 L784 R785 L790 I802 K803 L806 L834	L777-Y781 PolarHBondContact O-N 3.34Å; E778-Y781 PolarHBondContact O-N 3.16Å; Y781-T783 PolarHBondContact O-N 3.21Å; Y781-L784 PolarHBondContact O-N 2.86Å; Y781-R785 WeakPolarHBondContact O-CB 3.43Å; Y781-R785 PolarHBondContact O-N 3.21Å; Y781-L790 HydrophobicContact CE2-CD2 4.3Å; Y781-I802 HydrophobicContact CD2-CG2 3.82Å; Y781-I802 HydrophobicContact CE2-CB 3.86Å; Y781-I802 HydrophobicContact CE2-CD1 4.38Å; Y781-I802 HydrophobicContact CE2-CG2 3.59Å; Y781-I802 HydrophobicContact CG-CG2 4.42Å; Y781-K803 HydrophobicContact CE1-CB 4.26Å; Y781-L806 HydrophobicContact CD1-CD1 3.23Å; Y781-L806 HydrophobicContact CD2-CD1 4.36Å; Y781-L806 HydrophobicContact CE1-CD1 3.86Å; Y781-L806 HydrophobicContact CG-CD1 3.52Å; Y781-L834 HydrophobicContact CD2-CD2 3.79Å; Y781-L834 HydrophobicContact CE2-CD2 4.43Å
782	K	95.8	Very high	93.5	Very high	127 Å²	127	63.3 Å²	63.3	55%	0.552	30%	0.304	S	S	*	.	H	α-helix	trans	-57.9	-49	173.3	-178.2	-179.2	172.8	-174.9	0	111.5	E778 Y780 L784 R785 E786	E778-K782 PolarHBondContact O-N 2.88Å; Y780-K782 VanDerWaalsContact C-N 3.32Å; Y780-K782 PolarHBondContact O-N 2.84Å; K782-L784 VanDerWaalsContact C-N 3.3Å; K782-L784 PolarHBondContact O-N 2.77Å; K782-R785 PolarHBondContact O-N 3.03Å; K782-E786 WeakPolarHBondContact CE-OE1 3.25Å; K782-E786 WeakPolarHBondContact CG-OE1 3.37Å; K782-E786 WeakPolarHBondContact O-CG 3.27Å; K782-E786 PolarHBondContact O-N 2.79Å; K782-E786 VanDerWaalsContact O-N 3.16Å
783	T	95.3	Very high	92.9	Very high	50 Å²	50	60.4 Å²	60.4	31%	0.307	29%	0.293	S	S	.	.	H	α-helix	trans	-62.7	-36.5	179.1	-53.3	0	0	0	0	112.3	V656 A779 Y780 Y781 K787	V656-T783 HydrophobicContact CG1-CG2 4.36Å; A779-T783 PolarHBondContact O-N 2.98Å; A779-T783 VanDerWaalsContact O-N 3.11Å; A779-T783 PolarHBondContact O-OG1 3Å; Y780-T783 WeakPolarHBondContact O-CB 3.21Å; Y780-T783 PolarHBondContact O-N 3.02Å; Y780-T783 VanDerWaalsContact O-N 3.13Å; Y781-T783 PolarHBondContact O-N 3.21Å; T783-K787 HydrophobicContact CG2-CD 4.4Å
784	L	95.2	Very high	92.1	Very high	1 Å²	1	62 Å²	62	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-53	176.7	-179.8	67.8	0	0	0	111	Q652 V656 Y780 Y781 K782 E786 K787 V788 L793 L834	Q652-L784 HydrophobicContact CG-CD1 3.65Å; V656-L784 HydrophobicContact CB-CD1 4.35Å; V656-L784 HydrophobicContact CG1-CB 4.44Å; V656-L784 HydrophobicContact CG1-CD1 4.32Å; V656-L784 HydrophobicContact CG2-CD1 4.06Å; Y780-L784 HydrophobicContact CE1-CD2 4.2Å; Y780-L784 WeakPolarHBondContact O-CB 3.38Å; Y780-L784 PolarHBondContact O-N 3.18Å; Y781-L784 PolarHBondContact O-N 2.86Å; K782-L784 VanDerWaalsContact C-N 3.3Å; K782-L784 PolarHBondContact O-N 2.77Å; L784-E786 PolarHBondContact O-N 2.96Å; L784-K787 PolarHBondContact O-N 3.46Å; L784-V788 HydrophobicContact CD1-CB 3.88Å; L784-V788 HydrophobicContact CD1-CG1 4.43Å; L784-V788 HydrophobicContact CD1-CG2 3.81Å; L784-V788 PolarHBondContact O-N 3.25Å; L784-L793 HydrophobicContact CD2-CD1 4.2Å; L784-L793 HydrophobicContact CD2-CD2 4.06Å; L784-L834 HydrophobicContact CD2-CD2 3.43Å; L784-L834 VanDerWaalsContact CD2-CD2 3.43Å
785	R	93.3	Very high	91	Very high	168 Å²	168	66.8 Å²	66.8	63%	0.634	34%	0.338	S	S	*	.	H	α-helix	trans	-55.6	-34.2	178.3	174.3	-175	169.5	-139.7	-4.7	113.2	Y781 K782 K787	Y781-R785 WeakPolarHBondContact O-CB 3.43Å; Y781-R785 PolarHBondContact O-N 3.21Å; K782-R785 PolarHBondContact O-N 3.03Å; R785-K787 VanDerWaalsContact C-N 3.29Å; R785-K787 PolarHBondContact O-N 2.82Å
786	E	93.4	Very high	90.1	Very high	132 Å²	132	63.4 Å²	63.4	62%	0.617	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-18.5	178.9	-73.8	170.1	-172.9	0	0	113.4	K782 L784	K782-E786 WeakPolarHBondContact CE-OE1 3.25Å; K782-E786 WeakPolarHBondContact CG-OE1 3.37Å; K782-E786 WeakPolarHBondContact O-CG 3.27Å; K782-E786 PolarHBondContact O-N 2.79Å; K782-E786 VanDerWaalsContact O-N 3.16Å; L784-E786 PolarHBondContact O-N 2.96Å
787	K	91.9	Very high	89.1	Confident	104 Å²	104	64.5 Å²	64.5	45%	0.452	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-24.3	-170.5	-73.3	179.8	158.9	-165.7	0	115.3	L655 V656 T783 L784 R785	L655-K787 WeakPolarHBondContact O-CD 3.32Å; L655-K787 PolarHBondContact O-NZ 2.95Å; V656-K787 HydrophobicContact CG2-CB 3.82Å; V656-K787 HydrophobicContact CG2-CD 3.84Å; V656-K787 HydrophobicContact CG2-CG 4.49Å; T783-K787 HydrophobicContact CG2-CD 4.4Å; L784-K787 PolarHBondContact O-N 3.46Å; R785-K787 VanDerWaalsContact C-N 3.29Å; R785-K787 PolarHBondContact O-N 2.82Å
788	V	89.9	Confident	87.9	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.018	34%	0.339	C	S	.	.	S	Bend	trans	-129.8	125	-173.2	-177.3	0	0	0	0	108.1	Q652 V656 L784 C792	Q652-V788 HydrophobicContact CB-CG2 4.37Å; V656-V788 HydrophobicContact CG2-CG2 3.81Å; L784-V788 HydrophobicContact CD1-CB 3.88Å; L784-V788 HydrophobicContact CD1-CG1 4.43Å; L784-V788 HydrophobicContact CD1-CG2 3.81Å; L784-V788 PolarHBondContact O-N 3.25Å; V788-C792 HydrophobicContact CG1-CB 3.74Å
789	P	85.6	Confident	86.7	Confident	49 Å²	49	70 Å²	70	32%	0.318	36%	0.355	S	S	.	.			trans	-56.4	144.4	172.4	-21.2	32.2	0	0	0	111.1	E791 C792	P789-E791 WeakPolarHBondContact CB-OE2 3.21Å; P789-E791 PolarHBondContact O-N 3.43Å; P789-C792 VanDerWaalsContact O-CB 3.28Å; P789-C792 WeakPolarHBondContact O-CB 3.46Å; P789-C792 PolarHBondContact O-N 3.44Å; P789-C792 VanDerWaalsContact O-N 3.14Å
790	L	79.7	Confident	86	Confident	70 Å²	70	69.7 Å²	69.7	37%	0.366	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-71.1	-19.9	-176.9	-66.8	176	0	0	0	112.2	Y781 C792 L793	Y781-L790 HydrophobicContact CE2-CD2 4.3Å; L790-C792 PolarHBondContact O-N 3.5Å; L790-L793 HydrophobicContact CD2-CD1 3.8Å; L790-L793 WeakPolarHBondContact O-CB 3.25Å; L790-L793 PolarHBondContact O-N 2.89Å
791	E	80	Confident	85.5	Confident	163 Å²	163	73 Å²	73	76%	0.762	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-66.2	-21.5	173.4	-56.4	77.9	-173.2	0	0	112.5	P789 L793	P789-E791 WeakPolarHBondContact CB-OE2 3.21Å; P789-E791 PolarHBondContact O-N 3.43Å; E791-L793 PolarHBondContact O-N 2.89Å
792	C	80.9	Confident	85.3	Confident	14 Å²	14	72.8 Å²	72.8	10%	0.095	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-80.7	2.3	174.6	-61.1	0	0	0	0	113	D648 V788 P789 L790	D648-C792 HydrophobicContact CB-CB 3.78Å; D648-C792 PolarHBondContact OD1-SG 3.41Å; V788-C792 HydrophobicContact CG1-CB 3.74Å; P789-C792 VanDerWaalsContact O-CB 3.28Å; P789-C792 WeakPolarHBondContact O-CB 3.46Å; P789-C792 PolarHBondContact O-N 3.44Å; P789-C792 VanDerWaalsContact O-N 3.14Å; L790-C792 PolarHBondContact O-N 3.5Å
793	L	86.1	Confident	85.2	Confident	20 Å²	20	71.9 Å²	71.9	11%	0.105	36%	0.362	C	S	.	.	S	Bend	trans	-98.6	155.1	178.3	-59.2	-178.6	0	0	0	111.4	L784 L790 E791 C795 I802	L784-L793 HydrophobicContact CD2-CD1 4.2Å; L784-L793 HydrophobicContact CD2-CD2 4.06Å; L790-L793 HydrophobicContact CD2-CD1 3.8Å; L790-L793 WeakPolarHBondContact O-CB 3.25Å; L790-L793 PolarHBondContact O-N 2.89Å; E791-L793 PolarHBondContact O-N 2.89Å; L793-C795 PolarHBondContact O-N 2.87Å; L793-I802 HydrophobicContact CD1-CD1 3.73Å
794	P	82.6	Confident	85.2	Confident	47 Å²	47	74.6 Å²	74.6	31%	0.305	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-62	128.6	-174.1	-22.4	34	0	0	0	112.3	F796 N835	P794-F796 HydrophobicContact CB-CD2 4.44Å; P794-F796 HydrophobicContact CB-CE2 3.86Å; P794-F796 VanDerWaalsContact O-CD2 3.27Å; P794-F796 WeakPolarHBondContact O-CD2 3.39Å; P794-F796 PolarHBondContact O-N 2.82Å; P794-N835 WeakPolarHBondContact CG-OD1 3.47Å
795	C	76.1	Confident	85.2	Confident	118 Å²	118	75.3 Å²	75.3	80%	0.797	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-77.6	123.2	176.5	-168.6	0	0	0	0	110.8	L793	L793-C795 PolarHBondContact O-N 2.87Å
796	F	79.6	Confident	85.4	Confident	30 Å²	30	67.5 Å²	67.5	13%	0.132	35%	0.346	C	S	.	.			trans	-107.7	152.6	172.9	-73.9	-91.9	0	0	0	109.7	Y333 P794 T798 R832 R833 E864	Y333-F796 HydrophobicContact CE1-CE1 4.19Å; P794-F796 HydrophobicContact CB-CD2 4.44Å; P794-F796 HydrophobicContact CB-CE2 3.86Å; P794-F796 VanDerWaalsContact O-CD2 3.27Å; P794-F796 WeakPolarHBondContact O-CD2 3.39Å; P794-F796 PolarHBondContact O-N 2.82Å; F796-T798 VanDerWaalsContact C-N 3.28Å; F796-R832 HydrophobicContact CZ-CB 3.89Å; F796-R833 HydrophobicContact CD2-CG 3.62Å; F796-R833 HydrophobicContact CE2-CB 4.46Å; F796-R833 HydrophobicContact CE2-CG 3.72Å; F796-R833 HydrophobicContact CG-CG 4.44Å; F796-E864 WeakPolarHBondContact CB-OE2 3.27Å; F796-E864 HydrophobicContact CD1-CG 3.83Å; F796-E864 HydrophobicContact CE1-CG 4.45Å
797	Q	75.6	Confident	85.6	Confident	80 Å²	80	66.5 Å²	66.5	37%	0.374	34%	0.341	S	S	.	.	S	Bend	trans	-66	-35.5	173.4	-82.4	164.8	59.8	0	0	111.3	Q799 E864	Q797-Q799 PolarHBondContact O-N 2.8Å; Q797-E864 PolarHBondContact N-OE2 3.27Å; Q797-E864 PolarHBondContact NE2-O 3.19Å; Q797-E864 PolarHBondContact OE1-O 2.81Å
798	T	74.8	Confident	85.9	Confident	46 Å²	46	64.2 Å²	64.2	28%	0.282	34%	0.336	S	S	.	.	S	Bend	trans	-75.9	89.2	171.4	-49.1	0	0	0	0	109.9	F796 T800 R833 D863 E864	F796-T798 VanDerWaalsContact C-N 3.28Å; T798-T800 PolarHBondContact O-N 3.25Å; T798-R833 PolarHBondContact O-NH2 3.11Å; T798-D863 PolarHBondContact OG1-O 2.86Å; T798-E864 WeakPolarHBondContact CB-OE1 3.17Å; T798-E864 PolarHBondContact N-OE1 3.39Å; T798-E864 PolarHBondContact N-OE2 2.74Å; T798-E864 PolarHBondContact OG1-OE1 2.83Å
799	Q	73.4	Confident	86.3	Confident	170 Å²	170	64.1 Å²	64.1	79%	0.794	34%	0.335	S	S	*	.			trans	-74.4	29.4	-177.9	-63.8	-163.5	-18.8	0	0	115.4	Q797 D801	Q797-Q799 PolarHBondContact O-N 2.8Å; Q799-D801 PolarHBondContact O-N 3.01Å
800	T	82	Confident	86.9	Confident	47 Å²	47	62.4 Å²	62.4	29%	0.288	33%	0.326	S	S	.	.			trans	-64.4	132	170.7	-45.8	0	0	0	0	109.3	T798 E804 L805 R833	T798-T800 PolarHBondContact O-N 3.25Å; T800-E804 HydrophobicContact CG2-CB 4.28Å; T800-E804 HydrophobicContact CG2-CG 4.19Å; T800-E804 WeakPolarHBondContact CG2-OE2 3.35Å; T800-L805 HydrophobicContact CG2-CD2 3.9Å; T800-L805 HydrophobicContact CG2-CG 4.21Å; T800-R833 PolarHBondContact O-NH1 3.22Å
801	D	87.4	Confident	87.8	Confident	75 Å²	75	64.7 Å²	64.7	40%	0.401	34%	0.335	S	S	.	.			trans	-68.1	149.4	-176.8	-177.6	59.8	0	0	0	112.1	Q799 K803 E804 L805	Q799-D801 PolarHBondContact O-N 3.01Å; D801-K803 VanDerWaalsContact C-N 3.28Å; D801-K803 PolarHBondContact O-N 3.13Å; D801-K803 WeakPolarHBondContact OD2-CA 3.45Å; D801-K803 WeakPolarHBondContact OD2-CB 3.36Å; D801-K803 PolarHBondContact OD2-N 3.39Å; D801-E804 HydrophobicContact CB-CB 4.36Å; D801-E804 PolarHBondContact O-N 3.04Å; D801-L805 PolarHBondContact O-N 2.97Å
802	I	92.3	Very high	88.7	Confident	14 Å²	14	57.9 Å²	57.9	7%	0.072	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-33.9	-179	-58.8	177.8	0	0	0	110.9	Y781 L793 L805 L806 I830 R833 L834	Y781-I802 HydrophobicContact CD2-CG2 3.82Å; Y781-I802 HydrophobicContact CE2-CB 3.86Å; Y781-I802 HydrophobicContact CE2-CD1 4.38Å; Y781-I802 HydrophobicContact CE2-CG2 3.59Å; Y781-I802 HydrophobicContact CG-CG2 4.42Å; L793-I802 HydrophobicContact CD1-CD1 3.73Å; I802-L805 PolarHBondContact O-N 2.82Å; I802-L806 HydrophobicContact CG2-CD1 4.14Å; I802-L806 WeakPolarHBondContact O-CG 3.47Å; I802-L806 PolarHBondContact O-N 2.8Å; I802-I830 HydrophobicContact CG2-CG2 4.39Å; I802-R833 HydrophobicContact CD1-CB 3.76Å; I802-R833 HydrophobicContact CG1-CB 3.92Å; I802-L834 HydrophobicContact CD1-CD2 4.02Å; I802-L834 HydrophobicContact CG2-CD2 4.18Å
803	K	93.4	Very high	89.4	Confident	109 Å²	109	57.9 Å²	57.9	47%	0.474	30%	0.304	S	S	.	.	H	α-helix	trans	-66.6	-41.4	175.7	-170.3	179.1	167	-76.8	0	111.2	Y781 D801 L806 E807	Y781-K803 HydrophobicContact CE1-CB 4.26Å; D801-K803 VanDerWaalsContact C-N 3.28Å; D801-K803 PolarHBondContact O-N 3.13Å; D801-K803 WeakPolarHBondContact OD2-CA 3.45Å; D801-K803 WeakPolarHBondContact OD2-CB 3.36Å; D801-K803 PolarHBondContact OD2-N 3.39Å; K803-L806 PolarHBondContact O-N 3.47Å; K803-E807 WeakPolarHBondContact CE-OE1 3.27Å; K803-E807 IonicContact NZ-OE1 2.67Å; K803-E807 PolarHBondContact NZ-OE1 3.42Å; K803-E807 WeakPolarHBondContact O-CG 3.45Å; K803-E807 PolarHBondContact O-N 2.67Å
804	E	95.6	Very high	89.9	Confident	106 Å²	106	61.1 Å²	61.1	50%	0.495	32%	0.324	S	S	.	.	H	α-helix	trans	-63	-41	175.5	-173.6	-174.2	173.4	0	0	111.5	T800 D801 E807 T808	T800-E804 HydrophobicContact CG2-CB 4.28Å; T800-E804 HydrophobicContact CG2-CG 4.19Å; T800-E804 WeakPolarHBondContact CG2-OE2 3.35Å; D801-E804 HydrophobicContact CB-CB 4.36Å; D801-E804 PolarHBondContact O-N 3.04Å; E804-E807 PolarHBondContact O-N 3.02Å; E804-T808 WeakPolarHBondContact O-CB 3.47Å; E804-T808 PolarHBondContact O-N 2.87Å; E804-T808 PolarHBondContact O-OG1 2.9Å
805	L	96.6	Very high	90.5	Very high	16 Å²	16	61.4 Å²	61.4	8%	0.084	33%	0.325	C	S	.	.	H	α-helix	trans	-62.8	-40.9	172.4	-70.9	-170.6	0	0	0	112.5	T800 D801 I802 T808 L809 L826 T829 I830 R833	T800-L805 HydrophobicContact CG2-CD2 3.9Å; T800-L805 HydrophobicContact CG2-CG 4.21Å; D801-L805 PolarHBondContact O-N 2.97Å; I802-L805 PolarHBondContact O-N 2.82Å; L805-T808 PolarHBondContact O-N 2.93Å; L805-L809 WeakPolarHBondContact O-CB 3.44Å; L805-L809 PolarHBondContact O-N 2.82Å; L805-L826 HydrophobicContact CD2-CD2 3.96Å; L805-T829 HydrophobicContact CD1-CG2 3.67Å; L805-I830 HydrophobicContact CB-CD1 3.91Å; L805-I830 HydrophobicContact CB-CG1 3.59Å; L805-I830 HydrophobicContact CD1-CG1 3.86Å; L805-I830 HydrophobicContact CG-CG1 4.41Å; L805-R833 VanDerWaalsContact CD1-NH1 3.32Å
806	L	97.6	Very high	91.1	Very high	5 Å²	5	64.8 Å²	64.8	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-65.7	-45.3	177.2	-78.9	164.4	0	0	0	111.8	F774 L777 Y781 I802 K803 T808 L809 G810 I830	F774-L806 HydrophobicContact CE2-CD2 4.19Å; F774-L806 VanDerWaalsContact CE2-O 3.23Å; F774-L806 WeakPolarHBondContact CE2-O 3.3Å; L777-L806 HydrophobicContact CD2-CD2 4Å; L777-L806 HydrophobicContact CG-CD2 3.99Å; Y781-L806 HydrophobicContact CD1-CD1 3.23Å; Y781-L806 HydrophobicContact CD2-CD1 4.36Å; Y781-L806 HydrophobicContact CE1-CD1 3.86Å; Y781-L806 HydrophobicContact CG-CD1 3.52Å; I802-L806 HydrophobicContact CG2-CD1 4.14Å; I802-L806 WeakPolarHBondContact O-CG 3.47Å; I802-L806 PolarHBondContact O-N 2.8Å; K803-L806 PolarHBondContact O-N 3.47Å; L806-T808 VanDerWaalsContact C-N 3.29Å; L806-T808 PolarHBondContact O-N 3.09Å; L806-L809 PolarHBondContact O-N 2.75Å; L806-L809 VanDerWaalsContact O-N 3.16Å; L806-G810 PolarHBondContact O-N 2.64Å; L806-I830 HydrophobicContact CD2-CD1 4Å; L806-I830 HydrophobicContact CD2-CG2 4.32Å; L806-I830 HydrophobicContact CG-CD1 4.15Å
807	E	97.7	Very high	91.8	Very high	110 Å²	110	67.7 Å²	67.7	51%	0.514	34%	0.339	S	S	.	.	H	α-helix	trans	-58.2	-43.4	174.1	-73.2	171.2	-177.1	0	0	111.1	K803 E804 G810 Q811	K803-E807 WeakPolarHBondContact CE-OE1 3.27Å; K803-E807 IonicContact NZ-OE1 2.67Å; K803-E807 PolarHBondContact NZ-OE1 3.42Å; K803-E807 WeakPolarHBondContact O-CG 3.45Å; K803-E807 PolarHBondContact O-N 2.67Å; E804-E807 PolarHBondContact O-N 3.02Å; E807-G810 PolarHBondContact O-N 2.82Å; E807-Q811 WeakPolarHBondContact O-CB 3.2Å; E807-Q811 PolarHBondContact O-N 2.74Å
808	T	98	Very high	92.5	Very high	57 Å²	57	70.6 Å²	70.6	35%	0.35	35%	0.346	S	S	.	.	H	α-helix	trans	-66	-37.6	175.9	-55.4	0	0	0	0	112.3	E804 L805 L806 N812 L826	E804-T808 WeakPolarHBondContact O-CB 3.47Å; E804-T808 PolarHBondContact O-N 2.87Å; E804-T808 PolarHBondContact O-OG1 2.9Å; L805-T808 PolarHBondContact O-N 2.93Å; L806-T808 VanDerWaalsContact C-N 3.29Å; L806-T808 PolarHBondContact O-N 3.09Å; T808-N812 WeakPolarHBondContact O-CB 3.19Å; T808-N812 PolarHBondContact O-N 3.39Å; T808-N812 PolarHBondContact O-ND2 3.45Å; T808-L826 HydrophobicContact CG2-CD1 3.85Å; T808-L826 HydrophobicContact CG2-CD2 4.16Å
809	L	98.4	Very high	93.4	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-67	-48.6	175.5	175.4	60.1	0	0	0	110.8	F746 F774 L777 L805 L806 Q811 N812 V813 I823 L826 A827 I830	F746-L809 HydrophobicContact CE1-CD1 4.36Å; F746-L809 HydrophobicContact CE1-CD2 4.21Å; F746-L809 HydrophobicContact CZ-CD2 4.01Å; F774-L809 HydrophobicContact CD2-CB 4.42Å; F774-L809 HydrophobicContact CD2-CD2 3.97Å; F774-L809 HydrophobicContact CD2-CG 3.89Å; F774-L809 HydrophobicContact CE2-CB 4.37Å; F774-L809 HydrophobicContact CE2-CG 4.34Å; L777-L809 HydrophobicContact CD2-CD2 3.85Å; L805-L809 WeakPolarHBondContact O-CB 3.44Å; L805-L809 PolarHBondContact O-N 2.82Å; L806-L809 PolarHBondContact O-N 2.75Å; L806-L809 VanDerWaalsContact O-N 3.16Å; L809-Q811 VanDerWaalsContact C-N 3.32Å; L809-Q811 PolarHBondContact O-N 3.13Å; L809-N812 CarbonylContact O-C 3.59Å; L809-N812 WeakPolarHBondContact O-CA 3.33Å; L809-N812 PolarHBondContact O-N 3.27Å; L809-V813 HydrophobicContact CD1-CG2 4Å; L809-V813 HydrophobicContact CG-CG2 4.35Å; L809-V813 WeakPolarHBondContact O-CG2 3.3Å; L809-V813 PolarHBondContact O-N 3.16Å; L809-I823 HydrophobicContact CD1-CB 4.41Å; L809-I823 HydrophobicContact CD1-CG2 3.96Å; L809-L826 HydrophobicContact CB-CB 4.18Å; L809-L826 HydrophobicContact CB-CD1 4.42Å; L809-L826 HydrophobicContact CD1-CB 4.06Å; L809-A827 HydrophobicContact CD2-CB 4.26Å; L809-I830 HydrophobicContact CB-CD1 4.06Å; L809-I830 HydrophobicContact CD2-CD1 3.71Å
810	G	98.1	Very high	94.5	Very high	13 Å²	13	61.4 Å²	61.4	13%	0.134	30%	0.3	C	S	.	.	H	α-helix	trans	-56.5	-45.9	177.2	0	0	0	0	0	111.7	L806 E807 N812 V813 V814	L806-G810 PolarHBondContact O-N 2.64Å; E807-G810 PolarHBondContact O-N 2.82Å; G810-N812 VanDerWaalsContact C-N 3.34Å; G810-N812 PolarHBondContact O-N 2.83Å; G810-V813 PolarHBondContact O-N 2.91Å; G810-V814 PolarHBondContact O-N 2.67Å
811	Q	97.8	Very high	95.2	Very high	118 Å²	118	59.7 Å²	59.7	55%	0.551	29%	0.29	S	S	*	.	H	α-helix	trans	-59.3	-42.5	172.7	-175.9	58.4	56.5	0	0	112	E807 L809 V814 T815	E807-Q811 WeakPolarHBondContact O-CB 3.2Å; E807-Q811 PolarHBondContact O-N 2.74Å; L809-Q811 VanDerWaalsContact C-N 3.32Å; L809-Q811 PolarHBondContact O-N 3.13Å; Q811-V814 WeakPolarHBondContact O-CG2 3.35Å; Q811-T815 PolarHBondContact NE2-OG1 2.74Å; Q811-T815 VanDerWaalsContact O-CB 3.24Å; Q811-T815 WeakPolarHBondContact O-CB 3.18Å; Q811-T815 PolarHBondContact O-N 2.96Å; Q811-T815 PolarHBondContact O-OG1 2.94Å
812	N	98	Very high	95.7	Very high	20 Å²	20	59.3 Å²	59.3	11%	0.107	29%	0.285	C	S	.	.	H	α-helix	trans	-68.8	-31.5	179.1	-91.1	-77.4	0	0	0	114	T808 L809 G810 T815 N820 I823 L826	T808-N812 WeakPolarHBondContact O-CB 3.19Å; T808-N812 PolarHBondContact O-N 3.39Å; T808-N812 PolarHBondContact O-ND2 3.45Å; L809-N812 CarbonylContact O-C 3.59Å; L809-N812 WeakPolarHBondContact O-CA 3.33Å; L809-N812 PolarHBondContact O-N 3.27Å; G810-N812 VanDerWaalsContact C-N 3.34Å; G810-N812 PolarHBondContact O-N 2.83Å; N812-T815 PolarHBondContact O-N 3.38Å; N812-N820 PolarHBondContact O-ND2 3.2Å; N812-N820 VanDerWaalsContact O-ND2 3.08Å; N812-N820 PolarHBondContact OD1-ND2 3.38Å; N812-I823 HydrophobicContact CB-CG1 3.98Å; N812-L826 HydrophobicContact CB-CD1 4.27Å
813	V	97.3	Very high	96	Very high	15 Å²	15	59 Å²	59	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-67.3	-39.9	177.2	167.5	0	0	0	0	111.5	F746 N770 Q771 F774 L809 G810 I823	F746-V813 HydrophobicContact CE1-CG2 4.36Å; N770-V813 HydrophobicContact CB-CG1 3.97Å; N770-V813 HydrophobicContact CB-CG2 4.27Å; Q771-V813 HydrophobicContact CB-CG1 4.22Å; F774-V813 HydrophobicContact CB-CG2 4.49Å; L809-V813 HydrophobicContact CD1-CG2 4Å; L809-V813 HydrophobicContact CG-CG2 4.35Å; L809-V813 WeakPolarHBondContact O-CG2 3.3Å; L809-V813 PolarHBondContact O-N 3.16Å; G810-V813 PolarHBondContact O-N 2.91Å; V813-I823 HydrophobicContact CG2-CG1 4.43Å; V813-I823 HydrophobicContact CG2-CG2 4.12Å
814	V	95.3	Very high	96.2	Very high	88 Å²	88	53.8 Å²	53.8	53%	0.533	26%	0.261	S	S	.	.	H	α-helix	trans	-84.3	-16.3	176.3	-56.9	0	0	0	0	113.8	G810 Q811 K816	G810-V814 PolarHBondContact O-N 2.67Å; Q811-V814 WeakPolarHBondContact O-CG2 3.35Å; V814-K816 PolarHBondContact O-N 3.31Å
815	T	95.1	Very high	96.2	Very high	53 Å²	53	53.8 Å²	53.8	33%	0.325	26%	0.256	S	S	.	.	S	Bend	trans	-78.1	119.7	-176.5	-66.1	0	0	0	0	111.8	Q811 N812 K817	Q811-T815 PolarHBondContact NE2-OG1 2.74Å; Q811-T815 VanDerWaalsContact O-CB 3.24Å; Q811-T815 WeakPolarHBondContact O-CB 3.18Å; Q811-T815 PolarHBondContact O-N 2.96Å; Q811-T815 PolarHBondContact O-OG1 2.94Å; N812-T815 PolarHBondContact O-N 3.38Å; T815-K817 VanDerWaalsContact C-N 3.27Å; T815-K817 HydrophobicContact CG2-CB 4.19Å; T815-K817 PolarHBondContact O-N 3.48Å
816	K	89.8	Confident	96.3	Very high	188 Å²	188	54.2 Å²	54.2	82%	0.817	26%	0.259	S	S	*	.			trans	-72.6	76.9	175.8	-64.8	-166.7	174	-169.7	0	112.3	V814	V814-K816 PolarHBondContact O-N 3.31Å
817	K	92.9	Very high	96.4	Very high	91 Å²	91	54 Å²	54	40%	0.396	26%	0.257	S	S	.	.			trans	-113.2	129.3	176.2	170.2	167.4	163.8	-177.7	0	110.1	T815 K819 N820 E822	T815-K817 VanDerWaalsContact C-N 3.27Å; T815-K817 HydrophobicContact CG2-CB 4.19Å; T815-K817 PolarHBondContact O-N 3.48Å; K817-K819 PolarHBondContact O-N 3.48Å; K817-N820 HydrophobicContact CB-CB 3.95Å; K817-N820 HydrophobicContact CD-CB 4.39Å; K817-N820 VanDerWaalsContact CD-OD1 3.25Å; K817-N820 WeakPolarHBondContact CD-OD1 3.22Å; K817-N820 WeakPolarHBondContact CE-OD1 3.41Å; K817-N820 HydrophobicContact CG-CB 3.98Å; K817-N820 PolarHBondContact O-N 3.35Å; K817-E822 IonicContact NZ-OE1 3.54Å; K817-E822 PolarHBondContact NZ-OE1 2.92Å; K817-E822 IonicContact NZ-OE2 2.79Å; K817-E822 PolarHBondContact NZ-OE2 3.17Å
818	R	91.5	Very high	96.3	Very high	142 Å²	142	48.9 Å²	48.9	54%	0.536	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	124.5	-179.6	-168.3	-170.9	169.1	-151.2	-7.6	110.2	T755 E758 N820	T755-R818 PolarHBondContact OG1-NH2 3.04Å; E758-R818 VanDerWaalsContact CD-CG 3.4Å; E758-R818 VanDerWaalsContact OE1-CG 3.24Å; E758-R818 WeakPolarHBondContact OE1-CG 3.48Å; E758-R818 WeakPolarHBondContact OE2-CG 3.31Å; E758-R818 IonicContact OE2-CZ 2.75Å; E758-R818 IonicContact OE2-NE 3.67Å; E758-R818 PolarHBondContact OE2-NE 3.35Å; R818-N820 PolarHBondContact O-N 3.33Å
819	K	94.2	Very high	96.3	Very high	16 Å²	16	48.6 Å²	48.6	7%	0.07	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.5	60.5	-175.9	-58.6	-174.6	174.4	-174.3	0	112.1	I750 N751 Q754 T755 E758 K817 V821 A907	I750-K819 PolarHBondContact O-NZ 3.4Å; N751-K819 PolarHBondContact O-NZ 2.99Å; Q754-K819 HydrophobicContact CG-CG 4.48Å; T755-K819 WeakPolarHBondContact OG1-CE 3.48Å; T755-K819 PolarHBondContact OG1-NZ 2.76Å; E758-K819 WeakPolarHBondContact OE1-CG 3.26Å; E758-K819 PolarHBondContact OE1-N 3.12Å; K817-K819 PolarHBondContact O-N 3.48Å; K819-V821 PolarHBondContact O-N 2.82Å; K819-A907 PolarHBondContact NZ-O 3.29Å
820	N	95.9	Very high	96.2	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.032	23%	0.233	C	C	.	.			trans	-70.7	70.7	-174.6	-162	16.1	0	0	0	113.6	N812 K817 R818 E822 I823	N812-N820 PolarHBondContact O-ND2 3.2Å; N812-N820 VanDerWaalsContact O-ND2 3.08Å; N812-N820 PolarHBondContact OD1-ND2 3.38Å; K817-N820 HydrophobicContact CB-CB 3.95Å; K817-N820 HydrophobicContact CD-CB 4.39Å; K817-N820 VanDerWaalsContact CD-OD1 3.25Å; K817-N820 WeakPolarHBondContact CD-OD1 3.22Å; K817-N820 WeakPolarHBondContact CE-OD1 3.41Å; K817-N820 HydrophobicContact CG-CB 3.98Å; K817-N820 PolarHBondContact O-N 3.35Å; R818-N820 PolarHBondContact O-N 3.33Å; N820-E822 PolarHBondContact O-N 3.48Å; N820-E822 VanDerWaalsContact O-N 3.11Å; N820-I823 HydrophobicContact CB-CD1 4.07Å; N820-I823 HydrophobicContact CB-CG1 4.35Å; N820-I823 WeakPolarHBondContact O-CB 3.44Å; N820-I823 WeakPolarHBondContact O-CG1 3.22Å; N820-I823 PolarHBondContact O-N 3.26Å; N820-I823 VanDerWaalsContact O-N 3.11Å
821	V	96.6	Very high	96.2	Very high	12 Å²	12	48 Å²	48	7%	0.073	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.4	-178.2	-67	0	0	0	0	113.7	V748 I750 K819 I823 L824 W825 P909 Y912	V748-V821 HydrophobicContact CG1-CG1 4.09Å; I750-V821 HydrophobicContact CG2-CG1 3.85Å; K819-V821 PolarHBondContact O-N 2.82Å; V821-I823 PolarHBondContact O-N 3.38Å; V821-L824 WeakPolarHBondContact O-CB 3.33Å; V821-L824 PolarHBondContact O-N 3.23Å; V821-W825 HydrophobicContact CB-CZ2 4.34Å; V821-W825 HydrophobicContact CG2-CH2 3.85Å; V821-W825 HydrophobicContact CG2-CZ2 3.6Å; V821-W825 HydrophobicContact CG2-CZ3 4.42Å; V821-W825 PolarHBondContact O-N 2.88Å; V821-W825 VanDerWaalsContact O-N 3.16Å; V821-P909 HydrophobicContact CG1-CG 4.36Å; V821-Y912 HydrophobicContact CB-CE2 4.2Å; V821-Y912 HydrophobicContact CG1-CE2 4.04Å; V821-Y912 HydrophobicContact CG2-CE2 4.28Å
822	E	97	Very high	96.1	Very high	66 Å²	66	43.8 Å²	43.8	31%	0.308	21%	0.206	S	C	.	.	H	α-helix	trans	-60.8	-28.3	172.3	-76	156.8	-146.1	0	0	112.3	K817 N820 L824 W825 L826	K817-E822 IonicContact NZ-OE1 3.54Å; K817-E822 PolarHBondContact NZ-OE1 2.92Å; K817-E822 IonicContact NZ-OE2 2.79Å; K817-E822 PolarHBondContact NZ-OE2 3.17Å; N820-E822 PolarHBondContact O-N 3.48Å; N820-E822 VanDerWaalsContact O-N 3.11Å; E822-L824 VanDerWaalsContact C-N 3.26Å; E822-L824 PolarHBondContact O-N 2.99Å; E822-W825 HydrophobicContact CB-CE3 4.5Å; E822-W825 HydrophobicContact CG-CE3 3.72Å; E822-W825 HydrophobicContact CG-CZ3 3.89Å; E822-W825 PolarHBondContact O-N 3.11Å; E822-L826 VanDerWaalsContact O-CB 3.29Å; E822-L826 WeakPolarHBondContact O-CB 3.44Å; E822-L826 WeakPolarHBondContact O-CD1 3.33Å; E822-L826 WeakPolarHBondContact O-CG 3.44Å; E822-L826 PolarHBondContact O-N 2.74Å
823	I	98.4	Very high	95.8	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.036	20%	0.204	C	C	.	.	H	α-helix	trans	-55.2	-44.5	170.2	-63.4	171.4	0	0	0	110.5	F746 V748 L809 N812 V813 N820 V821 A827	F746-I823 HydrophobicContact CB-CG2 4.4Å; F746-I823 HydrophobicContact CD1-CG2 3.71Å; F746-I823 HydrophobicContact CE1-CG2 4.48Å; F746-I823 HydrophobicContact CG-CG2 4.42Å; V748-I823 HydrophobicContact CG2-CB 4.19Å; V748-I823 HydrophobicContact CG2-CD1 4.38Å; L809-I823 HydrophobicContact CD1-CB 4.41Å; L809-I823 HydrophobicContact CD1-CG2 3.96Å; N812-I823 HydrophobicContact CB-CG1 3.98Å; V813-I823 HydrophobicContact CG2-CG1 4.43Å; V813-I823 HydrophobicContact CG2-CG2 4.12Å; N820-I823 HydrophobicContact CB-CD1 4.07Å; N820-I823 HydrophobicContact CB-CG1 4.35Å; N820-I823 WeakPolarHBondContact O-CB 3.44Å; N820-I823 WeakPolarHBondContact O-CG1 3.22Å; N820-I823 PolarHBondContact O-N 3.26Å; N820-I823 VanDerWaalsContact O-N 3.11Å; V821-I823 PolarHBondContact O-N 3.38Å; I823-A827 VanDerWaalsContact O-CB 3.24Å; I823-A827 WeakPolarHBondContact O-CB 3.43Å; I823-A827 PolarHBondContact O-N 2.9Å
824	L	98.3	Very high	95.7	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-71.2	-43.2	-178.6	-56.2	-178.4	0	0	0	111.4	E663 L665 F746 V748 V821 E822 G828	E663-L824 HydrophobicContact CG-CB 4.43Å; E663-L824 HydrophobicContact CG-CD1 3.84Å; E663-L824 HydrophobicContact CG-CD2 4.03Å; E663-L824 HydrophobicContact CG-CG 4.31Å; L665-L824 HydrophobicContact CD2-CD1 3.7Å; F746-L824 HydrophobicContact CB-CD2 3.93Å; F746-L824 WeakPolarHBondContact O-CD2 3.22Å; V748-L824 HydrophobicContact CB-CD1 3.79Å; V748-L824 HydrophobicContact CB-CD2 4.31Å; V748-L824 HydrophobicContact CB-CG 3.96Å; V748-L824 HydrophobicContact CG2-CD1 4.17Å; V748-L824 HydrophobicContact CG2-CD2 3.92Å; V748-L824 HydrophobicContact CG2-CG 3.75Å; V821-L824 WeakPolarHBondContact O-CB 3.33Å; V821-L824 PolarHBondContact O-N 3.23Å; E822-L824 VanDerWaalsContact C-N 3.26Å; E822-L824 PolarHBondContact O-N 2.99Å; L824-G828 PolarHBondContact O-N 3.33Å
825	W	96.8	Very high	95.7	Very high	105 Å²	105	39 Å²	39	40%	0.398	18%	0.175	S	C	.	.	H	α-helix	trans	-64.3	-45.3	178.9	-57.1	-17.8	0	0	0	111.7	V821 E822 G828 T829 L855 Y912	V821-W825 HydrophobicContact CB-CZ2 4.34Å; V821-W825 HydrophobicContact CG2-CH2 3.85Å; V821-W825 HydrophobicContact CG2-CZ2 3.6Å; V821-W825 HydrophobicContact CG2-CZ3 4.42Å; V821-W825 PolarHBondContact O-N 2.88Å; V821-W825 VanDerWaalsContact O-N 3.16Å; E822-W825 HydrophobicContact CB-CE3 4.5Å; E822-W825 HydrophobicContact CG-CE3 3.72Å; E822-W825 HydrophobicContact CG-CZ3 3.89Å; E822-W825 PolarHBondContact O-N 3.11Å; W825-G828 PolarHBondContact O-N 3.43Å; W825-T829 WeakPolarHBondContact O-CB 3.18Å; W825-T829 PolarHBondContact O-N 2.67Å; W825-T829 PolarHBondContact O-OG1 3.14Å; W825-L855 HydrophobicContact CZ2-CD2 3.97Å; W825-Y912 AromaticContact CZ2-CE2 3.98Å; W825-Y912 HydrophobicContact CZ2-CE2 3.98Å; W825-Y912 AromaticContact NE1-CZ 3.99Å; W825-Y912 PolarHBondContact NE1-OH 2.95Å
826	L	98	Very high	95.8	Very high	25 Å²	25	36.9 Å²	36.9	13%	0.131	16%	0.164	C	C	.	.	H	α-helix	trans	-63.6	-48.3	176.8	-70.2	165	0	0	0	111.3	L805 T808 L809 N812 E822 G828 T829 I830	L805-L826 HydrophobicContact CD2-CD2 3.96Å; T808-L826 HydrophobicContact CG2-CD1 3.85Å; T808-L826 HydrophobicContact CG2-CD2 4.16Å; L809-L826 HydrophobicContact CB-CB 4.18Å; L809-L826 HydrophobicContact CB-CD1 4.42Å; L809-L826 HydrophobicContact CD1-CB 4.06Å; N812-L826 HydrophobicContact CB-CD1 4.27Å; E822-L826 VanDerWaalsContact O-CB 3.29Å; E822-L826 WeakPolarHBondContact O-CB 3.44Å; E822-L826 WeakPolarHBondContact O-CD1 3.33Å; E822-L826 WeakPolarHBondContact O-CG 3.44Å; E822-L826 PolarHBondContact O-N 2.74Å; L826-G828 VanDerWaalsContact C-N 3.31Å; L826-G828 PolarHBondContact O-N 2.91Å; L826-T829 PolarHBondContact O-N 3.09Å; L826-I830 WeakPolarHBondContact O-CB 3.44Å; L826-I830 WeakPolarHBondContact O-CD1 3.4Å; L826-I830 VanDerWaalsContact O-CG1 3.22Å; L826-I830 WeakPolarHBondContact O-CG1 3.43Å; L826-I830 PolarHBondContact O-N 2.74Å
827	A	98.4	Very high	96.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-39	177.5	0	0	0	0	0	112.6	Q661 F746 L809 I823 C831	Q661-A827 HydrophobicContact CG-CB 4.2Å; F746-A827 HydrophobicContact CB-CB 4.48Å; F746-A827 HydrophobicContact CD1-CB 4.44Å; F746-A827 HydrophobicContact CD2-CB 3.6Å; F746-A827 HydrophobicContact CE2-CB 3.84Å; F746-A827 HydrophobicContact CG-CB 3.92Å; F746-A827 HydrophobicContact CZ-CB 4.36Å; L809-A827 HydrophobicContact CD2-CB 4.26Å; I823-A827 VanDerWaalsContact O-CB 3.24Å; I823-A827 WeakPolarHBondContact O-CB 3.43Å; I823-A827 PolarHBondContact O-N 2.9Å; A827-C831 VanDerWaalsContact O-CB 3.28Å; A827-C831 WeakPolarHBondContact O-CB 3.15Å; A827-C831 PolarHBondContact O-N 3.23Å
828	G	97.3	Very high	96.4	Very high	3 Å²	3	24.1 Å²	24.1	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-64.3	-47.1	173.8	0	0	0	0	0	112.8	L824 W825 L826 C831 R832	L824-G828 PolarHBondContact O-N 3.33Å; W825-G828 PolarHBondContact O-N 3.43Å; L826-G828 VanDerWaalsContact C-N 3.31Å; L826-G828 PolarHBondContact O-N 2.91Å; G828-C831 WeakPolarHBondContact O-CB 3.32Å; G828-C831 PolarHBondContact O-N 3.36Å; G828-R832 WeakPolarHBondContact O-CG 3.45Å; G828-R832 PolarHBondContact O-N 2.63Å; G828-R832 VanDerWaalsContact O-N 3.08Å
829	T	96.6	Very high	96.8	Very high	51 Å²	51	17.3 Å²	17.3	31%	0.313	8%	0.083	S	C	.	.	H	α-helix	trans	-62.6	-44.8	177.3	-58.4	0	0	0	0	111.8	L805 W825 L826 R832 R833	L805-T829 HydrophobicContact CD1-CG2 3.67Å; W825-T829 WeakPolarHBondContact O-CB 3.18Å; W825-T829 PolarHBondContact O-N 2.67Å; W825-T829 PolarHBondContact O-OG1 3.14Å; L826-T829 PolarHBondContact O-N 3.09Å; T829-R832 PolarHBondContact O-N 2.74Å; T829-R833 PolarHBondContact O-N 3.14Å
830	I	97.2	Very high	97	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.2	-47.3	175.5	-67.4	160.6	0	0	0	110.1	L777 I802 L805 L806 L809 L826 R832 R833 L834	L777-I830 HydrophobicContact CD1-CG2 4.25Å; L777-I830 HydrophobicContact CD2-CG2 3.99Å; L777-I830 HydrophobicContact CG-CG2 4.36Å; I802-I830 HydrophobicContact CG2-CG2 4.39Å; L805-I830 HydrophobicContact CB-CD1 3.91Å; L805-I830 HydrophobicContact CB-CG1 3.59Å; L805-I830 HydrophobicContact CD1-CG1 3.86Å; L805-I830 HydrophobicContact CG-CG1 4.41Å; L806-I830 HydrophobicContact CD2-CD1 4Å; L806-I830 HydrophobicContact CD2-CG2 4.32Å; L806-I830 HydrophobicContact CG-CD1 4.15Å; L809-I830 HydrophobicContact CB-CD1 4.06Å; L809-I830 HydrophobicContact CD2-CD1 3.71Å; L826-I830 WeakPolarHBondContact O-CB 3.44Å; L826-I830 WeakPolarHBondContact O-CD1 3.4Å; L826-I830 VanDerWaalsContact O-CG1 3.22Å; L826-I830 WeakPolarHBondContact O-CG1 3.43Å; L826-I830 PolarHBondContact O-N 2.74Å; I830-R832 VanDerWaalsContact C-N 3.27Å; I830-R832 PolarHBondContact O-N 3.18Å; I830-R833 PolarHBondContact O-N 2.77Å; I830-R833 VanDerWaalsContact O-N 3.16Å; I830-L834 HydrophobicContact CG2-CD1 3.49Å; I830-L834 VanDerWaalsContact CG2-CD1 3.49Å; I830-L834 HydrophobicContact CG2-CG 4.18Å; I830-L834 WeakPolarHBondContact O-CB 3.31Å; I830-L834 VanDerWaalsContact O-CG 3.23Å; I830-L834 WeakPolarHBondContact O-CG 3.32Å; I830-L834 PolarHBondContact O-N 2.96Å
831	C	97.4	Very high	97.1	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.007	8%	0.078	C	C	.	.	H	α-helix	trans	-53.5	-44.2	176.7	-177.2	0	0	0	0	112.1	Q661 A827 G828 L834 G836 I837	Q661-C831 HydrophobicContact CB-CB 3.69Å; Q661-C831 VanDerWaalsContact CB-SG 3.57Å; Q661-C831 HydrophobicContact CG-CB 4.25Å; A827-C831 VanDerWaalsContact O-CB 3.28Å; A827-C831 WeakPolarHBondContact O-CB 3.15Å; A827-C831 PolarHBondContact O-N 3.23Å; G828-C831 WeakPolarHBondContact O-CB 3.32Å; G828-C831 PolarHBondContact O-N 3.36Å; C831-L834 CarbonylContact O-C 3.56Å; C831-L834 PolarHBondContact O-N 3.31Å; C831-G836 WeakPolarHBondContact O-CA 3.17Å; C831-G836 PolarHBondContact O-N 3.5Å; C831-G836 VanDerWaalsContact SG-C 3.52Å; C831-I837 PolarHBondContact SG-O 2.93Å
832	R	95.1	Very high	97.1	Very high	29 Å²	29	15.9 Å²	15.9	11%	0.109	8%	0.076	C	C	.	.	H	α-helix	trans	-66.4	-40.3	178.5	-68.5	-172.3	-179.3	-65.7	3.9	113.4	D334 F796 G828 T829 I830 L834 N835 E856	D334-R832 PolarHBondContact O-NH1 3.17Å; D334-R832 PolarHBondContact O-NH2 2.96Å; F796-R832 HydrophobicContact CZ-CB 3.89Å; G828-R832 WeakPolarHBondContact O-CG 3.45Å; G828-R832 PolarHBondContact O-N 2.63Å; G828-R832 VanDerWaalsContact O-N 3.08Å; T829-R832 PolarHBondContact O-N 2.74Å; I830-R832 VanDerWaalsContact C-N 3.27Å; I830-R832 PolarHBondContact O-N 3.18Å; R832-L834 PolarHBondContact O-N 3.15Å; R832-N835 PolarHBondContact O-N 2.65Å; R832-E856 IonicContact CZ-OE1 3.86Å; R832-E856 IonicContact NE-OE1 2.76Å; R832-E856 PolarHBondContact NE-OE1 3.42Å; R832-E856 IonicContact NH2-OE1 2.67Å; R832-E856 PolarHBondContact NH2-OE1 3.39Å
833	R	93.7	Very high	97.1	Very high	17 Å²	17	15 Å²	15	6%	0.064	7%	0.071	C	C	.	.	H	α-helix	trans	-69.8	-14	173.9	-65.9	-168.7	-177.1	150.5	14.8	113.9	F796 T798 T800 I802 L805 T829 I830	F796-R833 HydrophobicContact CD2-CG 3.62Å; F796-R833 HydrophobicContact CE2-CB 4.46Å; F796-R833 HydrophobicContact CE2-CG 3.72Å; F796-R833 HydrophobicContact CG-CG 4.44Å; T798-R833 PolarHBondContact O-NH2 3.11Å; T800-R833 PolarHBondContact O-NH1 3.22Å; I802-R833 HydrophobicContact CD1-CB 3.76Å; I802-R833 HydrophobicContact CG1-CB 3.92Å; L805-R833 VanDerWaalsContact CD1-NH1 3.32Å; T829-R833 PolarHBondContact O-N 3.14Å; I830-R833 PolarHBondContact O-N 2.77Å; I830-R833 VanDerWaalsContact O-N 3.16Å
834	L	95	Very high	96.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	19.1	178.5	-65.1	175.7	0	0	0	113.7	Q652 V659 L777 Y780 Y781 L784 I802 I830 C831 R832 G836	Q652-L834 PolarHBondContact NE2-O 2.88Å; V659-L834 HydrophobicContact CG1-CB 4.05Å; V659-L834 HydrophobicContact CG1-CD1 4.4Å; L777-L834 HydrophobicContact CD1-CD1 4.01Å; Y780-L834 HydrophobicContact CD1-CD1 4.21Å; Y780-L834 HydrophobicContact CE1-CB 4.29Å; Y780-L834 HydrophobicContact CE1-CD1 4.14Å; Y781-L834 HydrophobicContact CD2-CD2 3.79Å; Y781-L834 HydrophobicContact CE2-CD2 4.43Å; L784-L834 HydrophobicContact CD2-CD2 3.43Å; L784-L834 VanDerWaalsContact CD2-CD2 3.43Å; I802-L834 HydrophobicContact CD1-CD2 4.02Å; I802-L834 HydrophobicContact CG2-CD2 4.18Å; I830-L834 HydrophobicContact CG2-CD1 3.49Å; I830-L834 VanDerWaalsContact CG2-CD1 3.49Å; I830-L834 HydrophobicContact CG2-CG 4.18Å; I830-L834 WeakPolarHBondContact O-CB 3.31Å; I830-L834 VanDerWaalsContact O-CG 3.23Å; I830-L834 WeakPolarHBondContact O-CG 3.32Å; I830-L834 PolarHBondContact O-N 2.96Å; C831-L834 CarbonylContact O-C 3.56Å; C831-L834 PolarHBondContact O-N 3.31Å; R832-L834 PolarHBondContact O-N 3.15Å; L834-G836 PolarHBondContact O-N 2.99Å; L834-G836 VanDerWaalsContact O-N 3.07Å
835	N	94.3	Very high	96.8	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.032	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	14.8	-174.1	-85.5	-44.6	0	0	0	115	R639 F649 Q652 P794 R832	R639-N835 PolarHBondContact NE-O 3.17Å; R639-N835 VanDerWaalsContact NE-O 3.08Å; R639-N835 PolarHBondContact NH2-OD1 3.15Å; F649-N835 HydrophobicContact CD2-CB 4.06Å; Q652-N835 PolarHBondContact OE1-ND2 2.71Å; P794-N835 WeakPolarHBondContact CG-OD1 3.47Å; R832-N835 PolarHBondContact O-N 2.65Å
836	G	96.9	Very high	96.7	Very high	8 Å²	8	10.7 Å²	10.7	8%	0.082	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-76.2	168.2	-169.2	0	0	0	0	0	115.3	V659 C831 L834	V659-G836 CarbonylContact O-C 3.56Å; V659-G836 WeakPolarHBondContact O-CA 3.47Å; C831-G836 WeakPolarHBondContact O-CA 3.17Å; C831-G836 PolarHBondContact O-N 3.5Å; C831-G836 VanDerWaalsContact SG-C 3.52Å; L834-G836 PolarHBondContact O-N 2.99Å; L834-G836 VanDerWaalsContact O-N 3.07Å
837	I	98.6	Very high	96.6	Very high	6 Å²	6	10.5 Å²	10.5	3%	0.031	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.6	-179.6	-47.4	169	0	0	0	108.7	F636 R639 L658 V659 A660 Q661 V741 C831 F839	F636-I837 HydrophobicContact CB-CD1 4.2Å; F636-I837 HydrophobicContact CD2-CD1 4.36Å; R639-I837 HydrophobicContact CB-CG1 4.01Å; R639-I837 HydrophobicContact CG-CG1 4.23Å; L658-I837 HydrophobicContact CD1-CD1 4.24Å; L658-I837 HydrophobicContact CD1-CG1 4.3Å; V659-I837 PolarHBondContact O-N 2.87Å; A660-I837 CarbonylContact C-O 3.52Å; A660-I837 WeakPolarHBondContact CA-O 3.44Å; A660-I837 HydrophobicContact CB-CB 4.39Å; Q661-I837 PolarHBondContact N-O 3.19Å; V741-I837 HydrophobicContact CG1-CD1 4.42Å; C831-I837 PolarHBondContact SG-O 2.93Å; I837-F839 HydrophobicContact CB-CE2 3.81Å; I837-F839 HydrophobicContact CB-CZ 4.46Å; I837-F839 HydrophobicContact CG2-CD2 4.13Å; I837-F839 HydrophobicContact CG2-CE2 3.3Å; I837-F839 HydrophobicContact CG2-CZ 3.54Å
838	R	98.3	Very high	96.5	Very high	5 Å²	5	11.2 Å²	11.2	2%	0.019	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.8	-174.7	-179.5	77.3	-177.1	92.2	17.1	111.4	I335 I336 E663 T840 E856	I335-R838 HydrophobicContact CG1-CG 4.14Å; I335-R838 HydrophobicContact CG2-CG 4.45Å; I336-R838 PolarHBondContact N-O 3.01Å; E663-R838 VanDerWaalsContact CB-NH1 3.26Å; E663-R838 IonicContact OE2-CZ 4Å; E663-R838 IonicContact OE2-NH1 2.73Å; E663-R838 IonicContact OE2-NH2 3.29Å; E663-R838 PolarHBondContact OE2-NH2 3.44Å; R838-T840 PolarHBondContact NH2-OG1 3.19Å; R838-E856 IonicContact CZ-OE2 3.42Å; R838-E856 IonicContact NE-OE1 3.3Å; R838-E856 PolarHBondContact NE-OE1 2.72Å; R838-E856 IonicContact NE-OE2 2.64Å; R838-E856 PolarHBondContact NE-OE2 2.93Å; R838-E856 IonicContact NH2-OE2 2.75Å; R838-E856 PolarHBondContact NH2-OE2 3.19Å
839	F	98.8	Very high	96.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	137.3	177.7	-63.4	-94.8	0	0	0	112.5	I336 A631 L632 A660 Q661 F662 E663 I837	I336-F839 HydrophobicContact CB-CD1 3.49Å; I336-F839 VanDerWaalsContact CB-CD1 3.49Å; I336-F839 HydrophobicContact CB-CE1 3.62Å; I336-F839 HydrophobicContact CB-CG 4.28Å; I336-F839 HydrophobicContact CG1-CD1 4.17Å; I336-F839 HydrophobicContact CG1-CE1 3.87Å; I336-F839 HydrophobicContact CG1-CZ 4.37Å; I336-F839 HydrophobicContact CG2-CD1 3.73Å; I336-F839 HydrophobicContact CG2-CE1 3.67Å; I336-F839 CarbonylContact O-C 3.5Å; I336-F839 VanDerWaalsContact O-CA 3.28Å; I336-F839 WeakPolarHBondContact O-CA 3Å; A631-F839 HydrophobicContact CB-CE1 4.2Å; A631-F839 VanDerWaalsContact O-CE1 3.22Å; A631-F839 WeakPolarHBondContact O-CE1 3.23Å; L632-F839 HydrophobicContact CD1-CE2 4.35Å; L632-F839 HydrophobicContact CD1-CZ 4.27Å; A660-F839 HydrophobicContact CB-CE2 3.96Å; Q661-F839 PolarHBondContact O-N 3.37Å; F662-F839 HydrophobicContact CB-CB 4.43Å; F662-F839 HydrophobicContact CD1-CB 3.52Å; F662-F839 HydrophobicContact CD1-CD1 4.14Å; F662-F839 HydrophobicContact CD1-CD2 4.02Å; F662-F839 AromaticContact CD1-CG 3.65Å; F662-F839 HydrophobicContact CD1-CG 3.65Å; F662-F839 HydrophobicContact CD2-CD2 4.23Å; F662-F839 HydrophobicContact CE1-CB 3.93Å; F662-F839 AromaticContact CE1-CD1 3.64Å; F662-F839 HydrophobicContact CE1-CD1 3.64Å; F662-F839 AromaticContact CE1-CD2 3.8Å; F662-F839 HydrophobicContact CE1-CD2 3.8Å; F662-F839 HydrophobicContact CE1-CE1 4.08Å; F662-F839 HydrophobicContact CE1-CE2 4.2Å; F662-F839 AromaticContact CE1-CG 3.52Å; F662-F839 HydrophobicContact CE1-CG 3.52Å; F662-F839 HydrophobicContact CE1-CZ 4.34Å; F662-F839 HydrophobicContact CE2-CD2 4.01Å; F662-F839 HydrophobicContact CE2-CE2 4.14Å; F662-F839 HydrophobicContact CG-CB 4.01Å; F662-F839 HydrophobicContact CG-CD2 4.23Å; F662-F839 HydrophobicContact CG-CG 4.24Å; F662-F839 HydrophobicContact CZ-CD1 4.2Å; F662-F839 AromaticContact CZ-CD2 3.8Å; F662-F839 HydrophobicContact CZ-CD2 3.8Å; F662-F839 HydrophobicContact CZ-CE1 4.26Å; F662-F839 AromaticContact CZ-CE2 3.83Å; F662-F839 HydrophobicContact CZ-CE2 3.83Å; F662-F839 HydrophobicContact CZ-CG 4Å; F662-F839 HydrophobicContact CZ-CZ 4.08Å; E663-F839 WeakPolarHBondContact CB-O 3.33Å; E663-F839 PolarHBondContact N-O 3.48Å; I837-F839 HydrophobicContact CB-CE2 3.81Å; I837-F839 HydrophobicContact CB-CZ 4.46Å; I837-F839 HydrophobicContact CG2-CD2 4.13Å; I837-F839 HydrophobicContact CG2-CE2 3.3Å; I837-F839 HydrophobicContact CG2-CZ 3.54Å
840	T	98.8	Very high	96.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	116.2	177.1	-52	0	0	0	0	112.2	I335 I336 V338 E663 R838 T849 V853	I335-T840 VanDerWaalsContact CG2-OG1 3.31Å; I335-T840 WeakPolarHBondContact CG2-OG1 3.46Å; I336-T840 PolarHBondContact O-N 2.89Å; V338-T840 PolarHBondContact N-O 3.18Å; E663-T840 HydrophobicContact CG-CG2 4.44Å; E663-T840 WeakPolarHBondContact OE1-CG2 3.32Å; R838-T840 PolarHBondContact NH2-OG1 3.19Å; T840-T849 HydrophobicContact CG2-CG2 4Å; T840-T849 WeakPolarHBondContact O-CG2 3.37Å; T840-V853 HydrophobicContact CG2-CG2 4.07Å
841	S	98.3	Very high	96.6	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.2	-171.8	-57	0	0	0	0	114.4	V338 E663 L665	V338-S841 WeakPolarHBondContact CG1-OG 3.16Å; V338-S841 VanDerWaalsContact O-CA 3.26Å; V338-S841 WeakPolarHBondContact O-CA 3.32Å; V338-S841 WeakPolarHBondContact O-CB 3.48Å; V338-S841 PolarHBondContact O-OG 3.29Å; E663-S841 WeakPolarHBondContact O-CA 3.41Å; E663-S841 WeakPolarHBondContact O-CB 3.48Å; E663-S841 PolarHBondContact O-N 2.67Å; L665-S841 PolarHBondContact N-O 3.3Å
842	C	97.1	Very high	96.6	Very high	4 Å²	4	8.7 Å²	8.7	3%	0.027	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	-172.6	165	76	0	0	0	0	108.7	G339 A340 L665 S844 R848 T849	G339-C842 CarbonylContact C-O 3.57Å; G339-C842 WeakPolarHBondContact CA-O 3.24Å; A340-C842 PolarHBondContact N-O 2.93Å; L665-C842 HydrophobicContact CB-CB 4.01Å; L665-C842 HydrophobicContact CD1-CB 4.46Å; C842-S844 PolarHBondContact O-N 2.8Å; C842-R848 HydrophobicContact CB-CB 3.93Å; C842-T849 PolarHBondContact N-OG1 2.82Å; C842-T849 PolarHBondContact SG-OG1 2.75Å
843	K	96.4	Very high	96.7	Very high	47 Å²	47	7.3 Å²	7.3	20%	0.204	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-24.4	-177.5	-178.6	165.3	-173.7	166.3	0	115.6	L666 E671 E672 M675	L666-K843 HydrophobicContact CD2-CB 4.13Å; E671-K843 IonicContact OE2-NZ 3.77Å; E671-K843 PolarHBondContact OE2-NZ 2.97Å; E672-K843 HydrophobicContact CG-CD 4.37Å; E672-K843 WeakPolarHBondContact OE1-CD 3.37Å; M675-K843 HydrophobicContact CE-CD 4.1Å; M675-K843 VanDerWaalsContact CE-CE 3.46Å; M675-K843 HydrophobicContact CE-CG 4.48Å; M675-K843 HydrophobicContact SD-CB 4.43Å; M675-K843 HydrophobicContact SD-CD 3.86Å; M675-K843 HydrophobicContact SD-CG 3.81Å
844	S	94.9	Very high	96.9	Very high	14 Å²	14	6.5 Å²	6.5	10%	0.098	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-156.1	26.5	177	75	0	0	0	0	115.4	S301 N315 C842 K846	S301-S844 WeakPolarHBondContact CB-OG 3.39Å; N315-S844 WeakPolarHBondContact CB-O 3.33Å; N315-S844 PolarHBondContact ND2-O 3.06Å; C842-S844 PolarHBondContact O-N 2.8Å; S844-K846 PolarHBondContact O-N 3.45Å
845	A	96.2	Very high	97.1	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	S	Bend	trans	53.3	9.6	-176.3	0	0	0	0	0	117.2	N315 V338 T849 R885	N315-A845 HydrophobicContact CB-CB 3.8Å; N315-A845 PolarHBondContact ND2-O 3.46Å; V338-A845 WeakPolarHBondContact O-CB 3.47Å; A845-T849 WeakPolarHBondContact CA-OG1 3.18Å; A845-T849 WeakPolarHBondContact O-CB 3.24Å; A845-R885 PolarHBondContact O-NH2 3.38Å
846	K	94	Very high	97.2	Very high	9 Å²	9	8 Å²	8	4%	0.039	4%	0.041	C	C	.	.	S	Bend	trans	-96.1	-89.7	-168	-159.3	-168.4	67.6	158	0	111.5	S844 S850 V889 N892	S844-K846 PolarHBondContact O-N 3.45Å; K846-S850 WeakPolarHBondContact O-CB 3.24Å; K846-S850 PolarHBondContact O-N 2.92Å; K846-S850 VanDerWaalsContact O-N 3.15Å; K846-S850 PolarHBondContact O-OG 3.11Å; K846-V889 HydrophobicContact CD-CG1 4.12Å; K846-V889 HydrophobicContact CG-CG2 4.16Å; K846-N892 HydrophobicContact CD-CB 3.74Å; K846-N892 HydrophobicContact CG-CB 4.37Å
847	D	94.8	Very high	97.2	Very high	20 Å²	20	7.7 Å²	7.7	11%	0.107	4%	0.037	C	C	.	.	H	α-helix	trans	-73.1	-60.4	-167	-40.9	-91	0	0	0	113	T849 S850 M851 Y898 A899 F900	D847-T849 VanDerWaalsContact C-N 3.32Å; D847-T849 PolarHBondContact O-N 2.88Å; D847-S850 WeakPolarHBondContact O-CB 3.14Å; D847-S850 PolarHBondContact O-N 3.38Å; D847-M851 PolarHBondContact O-N 3.01Å; D847-Y898 HydrophobicContact CB-CD1 4.25Å; D847-Y898 WeakPolarHBondContact OD1-CA 3.4Å; D847-A899 PolarHBondContact OD1-N 2.7Å; D847-F900 HydrophobicContact CB-CD2 4.42Å; D847-F900 HydrophobicContact CB-CE1 3.88Å; D847-F900 HydrophobicContact CB-CE2 3.64Å; D847-F900 HydrophobicContact CB-CZ 3.33Å
848	R	96.9	Very high	97.1	Very high	16 Å²	16	7.4 Å²	7.4	6%	0.06	4%	0.036	C	C	.	.	H	α-helix	trans	-60.9	-39.5	-179.1	-71	-174.3	-69.9	-174.2	-7.1	112.6	L665 E672 I750 N751 C842 S850 M851 S852 F900 F908	L665-R848 HydrophobicContact CB-CB 4.49Å; L665-R848 HydrophobicContact CD1-CB 4.03Å; L665-R848 WeakPolarHBondContact CD1-O 3.48Å; L665-R848 PolarHBondContact O-NH1 2.71Å; E672-R848 IonicContact OE1-CZ 3.58Å; E672-R848 IonicContact OE1-NH1 3.47Å; E672-R848 IonicContact OE1-NH2 3.32Å; E672-R848 PolarHBondContact OE1-NH2 2.83Å; E672-R848 IonicContact OE2-CZ 3.64Å; E672-R848 VanDerWaalsContact OE2-CZ 3.3Å; E672-R848 IonicContact OE2-NH1 3.98Å; E672-R848 PolarHBondContact OE2-NH1 3.33Å; E672-R848 IonicContact OE2-NH2 2.79Å; E672-R848 PolarHBondContact OE2-NH2 2.85Å; I750-R848 HydrophobicContact CD1-CB 4.18Å; I750-R848 HydrophobicContact CD1-CG 4.14Å; I750-R848 HydrophobicContact CG1-CG 4.38Å; N751-R848 PolarHBondContact ND2-NH1 3.17Å; C842-R848 HydrophobicContact CB-CB 3.93Å; R848-S850 VanDerWaalsContact C-N 3.35Å; R848-S850 PolarHBondContact O-N 2.82Å; R848-M851 WeakPolarHBondContact O-CB 3.25Å; R848-M851 PolarHBondContact O-N 3.49Å; R848-S852 PolarHBondContact O-N 3.43Å; R848-S852 VanDerWaalsContact O-N 3.14Å; R848-F900 HydrophobicContact CG-CE1 4.1Å; R848-F900 HydrophobicContact CG-CZ 4.13Å; R848-F908 HydrophobicContact CG-CE1 4.06Å; R848-F908 HydrophobicContact CG-CZ 4.06Å
849	T	97.8	Very high	97	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.4	-43.5	176.7	-64.8	0	0	0	0	111.1	T337 T840 C842 A845 D847 M851 S852 V853	T337-T849 HydrophobicContact CG2-CG2 3.78Å; T840-T849 HydrophobicContact CG2-CG2 4Å; T840-T849 WeakPolarHBondContact O-CG2 3.37Å; C842-T849 PolarHBondContact N-OG1 2.82Å; C842-T849 PolarHBondContact SG-OG1 2.75Å; A845-T849 WeakPolarHBondContact CA-OG1 3.18Å; A845-T849 WeakPolarHBondContact O-CB 3.24Å; D847-T849 VanDerWaalsContact C-N 3.32Å; D847-T849 PolarHBondContact O-N 2.88Å; T849-M851 VanDerWaalsContact C-N 3.25Å; T849-M851 PolarHBondContact O-N 2.91Å; T849-S852 PolarHBondContact O-N 2.81Å; T849-S852 VanDerWaalsContact O-N 3.14Å; T849-V853 HydrophobicContact CG2-CG2 3.97Å; T849-V853 WeakPolarHBondContact O-CB 3.35Å; T849-V853 VanDerWaalsContact O-CG2 3.23Å; T849-V853 WeakPolarHBondContact O-CG2 3.43Å; T849-V853 PolarHBondContact O-N 3.23Å
850	S	97.2	Very high	96.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-60.6	-35.1	175.8	-61	0	0	0	0	112.7	K846 D847 R848 T854 R885	K846-S850 WeakPolarHBondContact O-CB 3.24Å; K846-S850 PolarHBondContact O-N 2.92Å; K846-S850 VanDerWaalsContact O-N 3.15Å; K846-S850 PolarHBondContact O-OG 3.11Å; D847-S850 WeakPolarHBondContact O-CB 3.14Å; D847-S850 PolarHBondContact O-N 3.38Å; R848-S850 VanDerWaalsContact C-N 3.35Å; R848-S850 PolarHBondContact O-N 2.82Å; S850-T854 WeakPolarHBondContact O-CB 3.26Å; S850-T854 WeakPolarHBondContact O-CG2 3.18Å; S850-T854 PolarHBondContact O-N 2.88Å; S850-T854 PolarHBondContact O-OG1 3.43Å; S850-R885 PolarHBondContact OG-NE 3.04Å; S850-R885 VanDerWaalsContact OG-NE 3.16Å
851	M	97.4	Very high	96.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66.8	-41.8	174.7	-58	-60.3	102.7	0	0	112.1	D847 R848 T849 T854 L855 R880 Y898 F900 Y912 P914	D847-M851 PolarHBondContact O-N 3.01Å; R848-M851 WeakPolarHBondContact O-CB 3.25Å; R848-M851 PolarHBondContact O-N 3.49Å; T849-M851 VanDerWaalsContact C-N 3.25Å; T849-M851 PolarHBondContact O-N 2.91Å; M851-T854 PolarHBondContact O-OG1 2.98Å; M851-L855 VanDerWaalsContact O-CB 3.3Å; M851-L855 WeakPolarHBondContact O-CB 3.49Å; M851-L855 PolarHBondContact O-N 3.09Å; M851-R880 HydrophobicContact CE-CG 4.06Å; M851-R880 PolarHBondContact O-NH2 3.39Å; M851-Y898 HydrophobicContact CE-CD1 4.16Å; M851-Y898 HydrophobicContact CE-CD2 3.91Å; M851-Y898 HydrophobicContact CE-CE1 3.82Å; M851-Y898 HydrophobicContact CE-CE2 3.53Å; M851-Y898 HydrophobicContact CE-CG 4.2Å; M851-Y898 VanDerWaalsContact CE-CZ 3.49Å; M851-F900 HydrophobicContact CG-CE2 4.22Å; M851-F900 HydrophobicContact CG-CZ 4.43Å; M851-Y912 HydrophobicContact CB-CD1 4.12Å; M851-Y912 VanDerWaalsContact CG-O 3.3Å; M851-Y912 WeakPolarHBondContact CG-O 3.46Å; M851-P914 HydrophobicContact CE-CB 4.06Å; M851-P914 HydrophobicContact SD-CB 3.76Å; M851-P914 HydrophobicContact SD-CG 4.35Å
852	S	97.9	Very high	96.3	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.014	7%	0.065	C	C	.	.	H	α-helix	trans	-72.8	-46.1	179.8	-146.8	0	0	0	0	112.5	E663 R848 T849 T854 L855 E856 Y912	E663-S852 VanDerWaalsContact OE1-CB 3.23Å; E663-S852 WeakPolarHBondContact OE1-CB 3.23Å; E663-S852 PolarHBondContact OE1-OG 2.81Å; R848-S852 PolarHBondContact O-N 3.43Å; R848-S852 VanDerWaalsContact O-N 3.14Å; T849-S852 PolarHBondContact O-N 2.81Å; T849-S852 VanDerWaalsContact O-N 3.14Å; S852-T854 PolarHBondContact O-N 3.2Å; S852-L855 WeakPolarHBondContact O-CB 3.5Å; S852-L855 PolarHBondContact O-N 2.78Å; S852-L855 VanDerWaalsContact O-N 3.11Å; S852-E856 PolarHBondContact O-N 2.94Å; S852-Y912 WeakPolarHBondContact OG-CE1 3.5Å; S852-Y912 PolarHBondContact OG-OH 2.88Å
853	V	98.2	Very high	96	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-55.8	-52.4	179.5	167.9	0	0	0	0	111.5	Q319 I335 T337 T840 T849 L855 E856 Q857 R885	Q319-V853 HydrophobicContact CG-CG1 3.84Å; I335-V853 HydrophobicContact CD1-CG1 4.15Å; I335-V853 HydrophobicContact CD1-CG2 4.5Å; I335-V853 HydrophobicContact CG2-CG2 4.2Å; T337-V853 HydrophobicContact CG2-CG2 3.67Å; T840-V853 HydrophobicContact CG2-CG2 4.07Å; T849-V853 HydrophobicContact CG2-CG2 3.97Å; T849-V853 WeakPolarHBondContact O-CB 3.35Å; T849-V853 VanDerWaalsContact O-CG2 3.23Å; T849-V853 WeakPolarHBondContact O-CG2 3.43Å; T849-V853 PolarHBondContact O-N 3.23Å; V853-L855 VanDerWaalsContact C-N 3.27Å; V853-L855 PolarHBondContact O-N 2.82Å; V853-E856 PolarHBondContact O-N 2.81Å; V853-Q857 WeakPolarHBondContact O-CB 3.35Å; V853-Q857 VanDerWaalsContact O-CG 3.31Å; V853-Q857 WeakPolarHBondContact O-CG 3.3Å; V853-Q857 PolarHBondContact O-N 2.75Å; V853-Q857 PolarHBondContact O-OE1 2.89Å; V853-R885 HydrophobicContact CG1-CG 4.28Å
854	T	97.8	Very high	95.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.6	-30.8	178.5	51.6	0	0	0	0	113	S850 M851 S852 C858 L876 M879 R880 R885	S850-T854 WeakPolarHBondContact O-CB 3.26Å; S850-T854 WeakPolarHBondContact O-CG2 3.18Å; S850-T854 PolarHBondContact O-N 2.88Å; S850-T854 PolarHBondContact O-OG1 3.43Å; M851-T854 PolarHBondContact O-OG1 2.98Å; S852-T854 PolarHBondContact O-N 3.2Å; T854-C858 WeakPolarHBondContact O-CB 3.47Å; T854-C858 PolarHBondContact O-N 3.45Å; T854-C858 PolarHBondContact O-SG 3.15Å; T854-L876 VanDerWaalsContact C-CD1 3.48Å; T854-L876 WeakPolarHBondContact O-CD1 3.46Å; T854-M879 HydrophobicContact CG2-CB 4.13Å; T854-R880 HydrophobicContact CG2-CG 3.96Å; T854-R880 VanDerWaalsContact OG1-CG 3.31Å; T854-R880 WeakPolarHBondContact OG1-CG 3.44Å; T854-R880 PolarHBondContact OG1-NE 3.01Å; T854-R885 HydrophobicContact CG2-CG 4.17Å
855	L	97.7	Very high	95.5	Very high	8 Å²	8	14.3 Å²	14.3	4%	0.042	7%	0.07	C	C	.	.	H	α-helix	trans	-72.2	-42.7	176	-178	61.2	0	0	0	112	W825 M851 S852 V853 C858 A859 F872 L876 C911 Y912	W825-L855 HydrophobicContact CZ2-CD2 3.97Å; M851-L855 VanDerWaalsContact O-CB 3.3Å; M851-L855 WeakPolarHBondContact O-CB 3.49Å; M851-L855 PolarHBondContact O-N 3.09Å; S852-L855 WeakPolarHBondContact O-CB 3.5Å; S852-L855 PolarHBondContact O-N 2.78Å; S852-L855 VanDerWaalsContact O-N 3.11Å; V853-L855 VanDerWaalsContact C-N 3.27Å; V853-L855 PolarHBondContact O-N 2.82Å; L855-C858 PolarHBondContact O-N 3.28Å; L855-A859 WeakPolarHBondContact O-CB 3.46Å; L855-A859 PolarHBondContact O-N 3.21Å; L855-F872 HydrophobicContact CD1-CE1 4.18Å; L855-F872 HydrophobicContact CD1-CZ 3.93Å; L855-L876 HydrophobicContact CB-CD1 4.32Å; L855-L876 HydrophobicContact CD1-CD1 4.47Å; L855-L876 HydrophobicContact CD1-CD2 3.96Å; L855-C911 HydrophobicContact CD1-CB 3.85Å; L855-C911 HydrophobicContact CD2-CB 3.83Å; L855-Y912 HydrophobicContact CD2-CD2 3.8Å; L855-Y912 HydrophobicContact CD2-CE1 4.45Å; L855-Y912 HydrophobicContact CD2-CE2 3.47Å; L855-Y912 VanDerWaalsContact CD2-CE2 3.47Å; L855-Y912 HydrophobicContact CD2-CG 4.42Å
856	E	97.5	Very high	95.2	Very high	29 Å²	29	18 Å²	18	14%	0.136	9%	0.087	C	C	.	.	H	α-helix	trans	-63.9	-45.1	175.2	-175.6	178.7	147.9	0	0	111	I335 R832 R838 S852 V853 C858 A859 L860	I335-E856 HydrophobicContact CD1-CB 4.47Å; I335-E856 HydrophobicContact CD1-CG 4.47Å; R832-E856 IonicContact CZ-OE1 3.86Å; R832-E856 IonicContact NE-OE1 2.76Å; R832-E856 PolarHBondContact NE-OE1 3.42Å; R832-E856 IonicContact NH2-OE1 2.67Å; R832-E856 PolarHBondContact NH2-OE1 3.39Å; R838-E856 IonicContact CZ-OE2 3.42Å; R838-E856 IonicContact NE-OE1 3.3Å; R838-E856 PolarHBondContact NE-OE1 2.72Å; R838-E856 IonicContact NE-OE2 2.64Å; R838-E856 PolarHBondContact NE-OE2 2.93Å; R838-E856 IonicContact NH2-OE2 2.75Å; R838-E856 PolarHBondContact NH2-OE2 3.19Å; S852-E856 PolarHBondContact O-N 2.94Å; V853-E856 PolarHBondContact O-N 2.81Å; E856-C858 PolarHBondContact O-N 3Å; E856-A859 WeakPolarHBondContact O-CB 3.3Å; E856-A859 PolarHBondContact O-N 3.49Å; E856-L860 HydrophobicContact CG-CD1 4.23Å; E856-L860 WeakPolarHBondContact O-CG 3.39Å; E856-L860 PolarHBondContact O-N 2.91Å
857	Q	96.9	Very high	95	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.009	9%	0.086	C	C	.	.	H	α-helix	trans	-57.4	-49.4	174.1	-73.2	167.6	-54.3	0	0	111.6	E226 M321 I335 V853 A859 L860 L861 M879	E226-Q857 PolarHBondContact OE1-NE2 2.69Å; E226-Q857 PolarHBondContact OE1-OE1 2.81Å; M321-Q857 HydrophobicContact CB-CG 4.42Å; M321-Q857 HydrophobicContact CE-CB 4.12Å; M321-Q857 HydrophobicContact CE-CG 4.32Å; M321-Q857 HydrophobicContact SD-CB 3.67Å; M321-Q857 HydrophobicContact SD-CG 3.88Å; I335-Q857 HydrophobicContact CD1-CG 4.46Å; V853-Q857 WeakPolarHBondContact O-CB 3.35Å; V853-Q857 VanDerWaalsContact O-CG 3.31Å; V853-Q857 WeakPolarHBondContact O-CG 3.3Å; V853-Q857 PolarHBondContact O-N 2.75Å; V853-Q857 PolarHBondContact O-OE1 2.89Å; Q857-A859 VanDerWaalsContact C-N 3.3Å; Q857-A859 PolarHBondContact O-N 3.06Å; Q857-L860 PolarHBondContact O-N 2.76Å; Q857-L861 WeakPolarHBondContact O-CG 3.4Å; Q857-L861 PolarHBondContact O-N 3.43Å; Q857-M879 HydrophobicContact CB-CE 3.89Å; Q857-M879 HydrophobicContact CG-CE 4.47Å
858	C	96.6	Very high	94.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.1	-32.8	176.7	-70.3	0	0	0	0	113.2	T854 L855 E856 L861 R862 F872 L876 M879	T854-C858 WeakPolarHBondContact O-CB 3.47Å; T854-C858 PolarHBondContact O-N 3.45Å; T854-C858 PolarHBondContact O-SG 3.15Å; L855-C858 PolarHBondContact O-N 3.28Å; E856-C858 PolarHBondContact O-N 3Å; C858-L861 PolarHBondContact O-N 3.31Å; C858-R862 WeakPolarHBondContact O-CB 3.39Å; C858-R862 PolarHBondContact O-N 3.41Å; C858-F872 HydrophobicContact CB-CD2 4.31Å; C858-F872 HydrophobicContact CB-CE2 3.81Å; C858-F872 HydrophobicContact CB-CZ 4.03Å; C858-F872 WeakPolarHBondContact O-CE2 3.22Å; C858-L876 HydrophobicContact CB-CD1 4.28Å; C858-L876 VanDerWaalsContact SG-CA 3.52Å; C858-M879 VanDerWaalsContact SG-SD 3.62Å
859	A	95.1	Very high	93.9	Very high	24 Å²	24	25.1 Å²	25.1	20%	0.198	12%	0.12	C	C	.	.	H	α-helix	trans	-65	-45.9	173.1	0	0	0	0	0	111.2	L855 E856 Q857 L861 R862 D863	L855-A859 WeakPolarHBondContact O-CB 3.46Å; L855-A859 PolarHBondContact O-N 3.21Å; E856-A859 WeakPolarHBondContact O-CB 3.3Å; E856-A859 PolarHBondContact O-N 3.49Å; Q857-A859 VanDerWaalsContact C-N 3.3Å; Q857-A859 PolarHBondContact O-N 3.06Å; A859-L861 VanDerWaalsContact C-N 3.34Å; A859-L861 PolarHBondContact O-N 3.19Å; A859-R862 WeakPolarHBondContact O-CB 3.3Å; A859-R862 PolarHBondContact O-N 2.96Å; A859-R862 VanDerWaalsContact O-N 3.1Å; A859-D863 WeakPolarHBondContact O-CB 3.2Å; A859-D863 VanDerWaalsContact O-CG 3.31Å; A859-D863 PolarHBondContact O-N 3.25Å
860	L	94.9	Very high	93	Very high	19 Å²	19	31.7 Å²	31.7	10%	0.099	16%	0.155	C	C	.	.	H	α-helix	trans	-59.9	-41.8	173.6	-68.4	163.4	0	0	0	111.8	M321 Y333 E856 Q857 R862 E864 H865	M321-L860 HydrophobicContact CE-CB 4.1Å; M321-L860 HydrophobicContact CE-CD1 4.48Å; Y333-L860 HydrophobicContact CD1-CD1 3.78Å; Y333-L860 HydrophobicContact CD1-CD2 4.1Å; Y333-L860 HydrophobicContact CD1-CG 4.43Å; Y333-L860 HydrophobicContact CE1-CD1 4.36Å; Y333-L860 HydrophobicContact CE1-CD2 3.93Å; Y333-L860 HydrophobicContact CG-CD1 3.85Å; E856-L860 HydrophobicContact CG-CD1 4.23Å; E856-L860 WeakPolarHBondContact O-CG 3.39Å; E856-L860 PolarHBondContact O-N 2.91Å; Q857-L860 PolarHBondContact O-N 2.76Å; L860-R862 VanDerWaalsContact C-N 3.29Å; L860-R862 PolarHBondContact O-N 3.24Å; L860-E864 HydrophobicContact CD2-CG 4.31Å; L860-E864 WeakPolarHBondContact O-CA 3.19Å; L860-E864 VanDerWaalsContact O-CB 3.28Å; L860-E864 WeakPolarHBondContact O-CB 3.44Å; L860-E864 PolarHBondContact O-N 3.46Å; L860-H865 PolarHBondContact O-N 3.16Å
861	L	93.9	Very high	92.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-37.4	174.6	-65.6	176.8	0	0	0	112.3	F214 M222 V224 M321 V323 Q857 C858 A859 H865 Q866 L867 M879	F214-L861 HydrophobicContact CD2-CD1 3.89Å; F214-L861 HydrophobicContact CE2-CD1 3.85Å; M222-L861 HydrophobicContact SD-CB 4.48Å; M222-L861 HydrophobicContact SD-CD2 3.92Å; V224-L861 HydrophobicContact CG1-CD1 4.38Å; V224-L861 HydrophobicContact CG1-CD2 4.3Å; V224-L861 HydrophobicContact CG2-CD1 4.03Å; V224-L861 HydrophobicContact CG2-CD2 3.54Å; V224-L861 HydrophobicContact CG2-CG 4.45Å; M321-L861 HydrophobicContact CE-CD2 3.97Å; M321-L861 HydrophobicContact CE-CG 4.07Å; M321-L861 HydrophobicContact SD-CD1 4.3Å; M321-L861 HydrophobicContact SD-CD2 4.04Å; M321-L861 HydrophobicContact SD-CG 4.08Å; V323-L861 HydrophobicContact CB-CD2 4.4Å; V323-L861 HydrophobicContact CG1-CD2 3.92Å; V323-L861 HydrophobicContact CG2-CD2 3.54Å; Q857-L861 WeakPolarHBondContact O-CG 3.4Å; Q857-L861 PolarHBondContact O-N 3.43Å; C858-L861 PolarHBondContact O-N 3.31Å; A859-L861 VanDerWaalsContact C-N 3.34Å; A859-L861 PolarHBondContact O-N 3.19Å; L861-H865 CarbonylContact O-C 3.57Å; L861-H865 VanDerWaalsContact O-CA 3.29Å; L861-H865 WeakPolarHBondContact O-CA 3.38Å; L861-H865 WeakPolarHBondContact O-CB 3.35Å; L861-H865 PolarHBondContact O-N 3.48Å; L861-Q866 PolarHBondContact O-N 3.4Å; L861-Q866 VanDerWaalsContact O-N 3.08Å; L861-L867 VanDerWaalsContact C-CB 3.5Å; L861-L867 HydrophobicContact CB-CB 4.02Å; L861-L867 HydrophobicContact CB-CD2 3.88Å; L861-L867 HydrophobicContact CD1-CD2 4.5Å; L861-L867 VanDerWaalsContact O-CB 3.25Å; L861-L867 WeakPolarHBondContact O-CB 3.36Å; L861-L867 PolarHBondContact O-N 2.93Å; L861-M879 HydrophobicContact CD1-SD 4.4Å
862	R	92.8	Very high	92	Very high	88 Å²	88	34.3 Å²	34.3	33%	0.332	17%	0.167	S	C	.	.	H	α-helix	trans	-72	-52.6	177.6	-175.6	-167.9	68	-145.1	-6.7	112.4	C858 A859 L860 Q866 L867 F872	C858-R862 WeakPolarHBondContact O-CB 3.39Å; C858-R862 PolarHBondContact O-N 3.41Å; A859-R862 WeakPolarHBondContact O-CB 3.3Å; A859-R862 PolarHBondContact O-N 2.96Å; A859-R862 VanDerWaalsContact O-N 3.1Å; L860-R862 VanDerWaalsContact C-N 3.29Å; L860-R862 PolarHBondContact O-N 3.24Å; R862-Q866 WeakPolarHBondContact O-CA 3.12Å; R862-Q866 PolarHBondContact O-N 2.86Å; R862-L867 HydrophobicContact CB-CB 4.46Å; R862-F872 HydrophobicContact CB-CD2 4.02Å; R862-F872 HydrophobicContact CB-CE2 4.22Å; R862-F872 HydrophobicContact CG-CD2 4.37Å
863	D	90.9	Very high	91.6	Very high	66 Å²	66	38.4 Å²	38.4	35%	0.353	19%	0.191	S	C	.	.	H	α-helix	trans	-81	-34.9	-168.8	-59.6	-25.6	0	0	0	111.2	T798 A859	T798-D863 PolarHBondContact OG1-O 2.86Å; A859-D863 WeakPolarHBondContact O-CB 3.2Å; A859-D863 VanDerWaalsContact O-CG 3.31Å; A859-D863 PolarHBondContact O-N 3.25Å
864	E	90.9	Very high	91.1	Very high	10 Å²	10	44 Å²	44	5%	0.047	21%	0.213	C	C	.	.	H	α-helix	trans	-111.8	-13.6	-173.6	-51.4	-56.5	147.2	0	0	113.8	F796 Q797 T798 L860	F796-E864 WeakPolarHBondContact CB-OE2 3.27Å; F796-E864 HydrophobicContact CD1-CG 3.83Å; F796-E864 HydrophobicContact CE1-CG 4.45Å; Q797-E864 PolarHBondContact N-OE2 3.27Å; Q797-E864 PolarHBondContact NE2-O 3.19Å; Q797-E864 PolarHBondContact OE1-O 2.81Å; T798-E864 WeakPolarHBondContact CB-OE1 3.17Å; T798-E864 PolarHBondContact N-OE1 3.39Å; T798-E864 PolarHBondContact N-OE2 2.74Å; T798-E864 PolarHBondContact OG1-OE1 2.83Å; L860-E864 HydrophobicContact CD2-CG 4.31Å; L860-E864 WeakPolarHBondContact O-CA 3.19Å; L860-E864 VanDerWaalsContact O-CB 3.28Å; L860-E864 WeakPolarHBondContact O-CB 3.44Å; L860-E864 PolarHBondContact O-N 3.46Å
865	H	89.2	Confident	90.7	Very high	7 Å²	7	44 Å²	44	3%	0.032	21%	0.213	C	C	.	.	H	α-helix	trans	-124.5	6.4	175.3	-62.5	-80.8	0	0	0	113.9	M222 V323 A331 Y333 L860 L861 L867	M222-H865 HydrophobicContact CE-CB 3.82Å; M222-H865 VanDerWaalsContact CE-O 3.23Å; M222-H865 WeakPolarHBondContact CE-O 3.37Å; M222-H865 HydrophobicContact SD-CB 4.29Å; V323-H865 HydrophobicContact CG1-CB 4.14Å; V323-H865 WeakPolarHBondContact CG1-ND1 3.37Å; A331-H865 WeakPolarHBondContact CB-CE1 3.31Å; A331-H865 WeakPolarHBondContact CB-NE2 3.25Å; Y333-H865 AromaticContact CE1-NE2 3.96Å; Y333-H865 AromaticContact CE2-NE2 2.64Å; Y333-H865 WeakPolarHBondContact CE2-NE2 3.27Å; Y333-H865 AromaticContact CZ-NE2 2.59Å; Y333-H865 PolarHBondContact OH-NE2 2.81Å; L860-H865 PolarHBondContact O-N 3.16Å; L861-H865 CarbonylContact O-C 3.57Å; L861-H865 VanDerWaalsContact O-CA 3.29Å; L861-H865 WeakPolarHBondContact O-CA 3.38Å; L861-H865 WeakPolarHBondContact O-CB 3.35Å; L861-H865 PolarHBondContact O-N 3.48Å; H865-L867 VanDerWaalsContact C-N 3.26Å; H865-L867 PolarHBondContact O-N 3.45Å
866	Q	89.9	Confident	90.4	Very high	77 Å²	77	44 Å²	44	36%	0.36	21%	0.212	S	C	.	.			trans	57.5	37.6	175.8	-48.1	173.9	12.2	0	0	112.7	T216 V217 L861 R862 S868	T216-Q866 CarbonylContact C-O 3.55Å; T216-Q866 VanDerWaalsContact CA-O 3.23Å; T216-Q866 WeakPolarHBondContact CA-O 3.2Å; V217-Q866 WeakPolarHBondContact CG1-O 3.46Å; V217-Q866 HydrophobicContact CG2-CB 3.87Å; V217-Q866 PolarHBondContact N-O 2.87Å; L861-Q866 PolarHBondContact O-N 3.4Å; L861-Q866 VanDerWaalsContact O-N 3.08Å; R862-Q866 WeakPolarHBondContact O-CA 3.12Å; R862-Q866 PolarHBondContact O-N 2.86Å; Q866-S868 PolarHBondContact O-N 2.7Å
867	L	89.9	Confident	90	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-53.6	127.8	168.7	176.6	67.4	0	0	0	109.4	F214 M222 L861 R862 H865 K869 F871 F872 A875	F214-L867 HydrophobicContact CB-CD1 3.56Å; F214-L867 HydrophobicContact CG-CD1 4.16Å; M222-L867 HydrophobicContact CE-CB 3.88Å; M222-L867 HydrophobicContact CE-CD1 4.29Å; M222-L867 HydrophobicContact SD-CD1 4.46Å; L861-L867 VanDerWaalsContact C-CB 3.5Å; L861-L867 HydrophobicContact CB-CB 4.02Å; L861-L867 HydrophobicContact CB-CD2 3.88Å; L861-L867 HydrophobicContact CD1-CD2 4.5Å; L861-L867 VanDerWaalsContact O-CB 3.25Å; L861-L867 WeakPolarHBondContact O-CB 3.36Å; L861-L867 PolarHBondContact O-N 2.93Å; R862-L867 HydrophobicContact CB-CB 4.46Å; H865-L867 VanDerWaalsContact C-N 3.26Å; H865-L867 PolarHBondContact O-N 3.45Å; L867-K869 PolarHBondContact O-N 2.64Å; L867-F871 HydrophobicContact CD1-CB 4.01Å; L867-F872 HydrophobicContact CD2-CD2 4.48Å; L867-A875 HydrophobicContact CD2-CB 4.01Å
868	S	85.4	Confident	89.6	Confident	19 Å²	19	45.5 Å²	45.5	13%	0.133	22%	0.222	C	C	.	.			trans	-58.5	137.3	179.1	171.1	0	0	0	0	111.2	Q215 Q866 D870 F871 F872	Q215-S868 PolarHBondContact O-N 2.8Å; Q215-S868 VanDerWaalsContact O-N 3.09Å; Q866-S868 PolarHBondContact O-N 2.7Å; S868-D870 PolarHBondContact O-N 2.79Å; S868-F871 WeakPolarHBondContact O-CA 3.32Å; S868-F871 PolarHBondContact O-N 3.04Å; S868-F872 PolarHBondContact O-N 2.88Å
869	K	83	Confident	89.4	Confident	174 Å²	174	45.5 Å²	45.5	76%	0.757	22%	0.222	S	C	*	.	H	α-helix	trans	-58.5	-33.2	-178.3	-68.2	179.5	-179.7	174.6	0	112.1	L867 F871 F872	L867-K869 PolarHBondContact O-N 2.64Å; K869-F871 PolarHBondContact O-N 3.49Å; K869-F872 WeakPolarHBondContact O-CB 3Å; K869-F872 PolarHBondContact O-N 3Å
870	D	79.4	Confident	89.3	Confident	137 Å²	137	44.5 Å²	44.5	73%	0.733	21%	0.213	S	C	*	.	H	α-helix	trans	-70	-22.3	177.7	-55.8	-36.3	0	0	0	112.6	S868	S868-D870 PolarHBondContact O-N 2.79Å
871	F	83.4	Confident	88.9	Confident	30 Å²	30	46.8 Å²	46.8	13%	0.132	22%	0.221	C	C	.	.	H	α-helix	trans	-95.5	-12	177	-73.9	-99.8	0	0	0	113.5	Q215 L867 S868 K869 V873 R874 A875	Q215-F871 HydrophobicContact CB-CD2 4.4Å; Q215-F871 HydrophobicContact CB-CE1 4.27Å; Q215-F871 HydrophobicContact CB-CE2 4.11Å; Q215-F871 HydrophobicContact CB-CZ 4.03Å; L867-F871 HydrophobicContact CD1-CB 4.01Å; S868-F871 WeakPolarHBondContact O-CA 3.32Å; S868-F871 PolarHBondContact O-N 3.04Å; K869-F871 PolarHBondContact O-N 3.49Å; F871-V873 PolarHBondContact O-N 2.86Å; F871-R874 PolarHBondContact O-N 2.95Å; F871-R874 VanDerWaalsContact O-N 3.12Å; F871-A875 WeakPolarHBondContact O-CB 3.47Å; F871-A875 PolarHBondContact O-N 3.35Å
872	F	90.3	Very high	88.3	Confident	25 Å²	25	48 Å²	48	11%	0.11	23%	0.226	C	C	.	.	H	α-helix	trans	-54.8	-49.7	-177.3	-176.2	-88.7	0	0	0	113.1	L855 C858 R862 L867 S868 K869 L876	L855-F872 HydrophobicContact CD1-CE1 4.18Å; L855-F872 HydrophobicContact CD1-CZ 3.93Å; C858-F872 HydrophobicContact CB-CD2 4.31Å; C858-F872 HydrophobicContact CB-CE2 3.81Å; C858-F872 HydrophobicContact CB-CZ 4.03Å; C858-F872 WeakPolarHBondContact O-CE2 3.22Å; R862-F872 HydrophobicContact CB-CD2 4.02Å; R862-F872 HydrophobicContact CB-CE2 4.22Å; R862-F872 HydrophobicContact CG-CD2 4.37Å; L867-F872 HydrophobicContact CD2-CD2 4.48Å; S868-F872 PolarHBondContact O-N 2.88Å; K869-F872 WeakPolarHBondContact O-CB 3Å; K869-F872 PolarHBondContact O-N 3Å; F872-L876 HydrophobicContact CE1-CD2 4.3Å; F872-L876 WeakPolarHBondContact O-CB 3.16Å; F872-L876 PolarHBondContact O-N 2.96Å
873	V	90.1	Very high	88	Confident	88 Å²	88	43.8 Å²	43.8	53%	0.533	21%	0.211	S	C	.	.	H	α-helix	trans	-68.8	-37.5	179.3	-178.6	0	0	0	0	110.9	F871 L876 D877	F871-V873 PolarHBondContact O-N 2.86Å; V873-L876 PolarHBondContact O-N 2.77Å; V873-D877 WeakPolarHBondContact O-CB 3.45Å; V873-D877 PolarHBondContact O-N 2.99Å
874	R	86.8	Confident	87.9	Confident	118 Å²	118	40.7 Å²	40.7	45%	0.445	19%	0.194	S	C	.	.	H	α-helix	trans	-64.2	-43.9	177.7	-65.5	178.7	61.3	-171	-2	112	F871 C878	F871-R874 PolarHBondContact O-N 2.95Å; F871-R874 VanDerWaalsContact O-N 3.12Å; R874-C878 WeakPolarHBondContact O-CB 3.21Å; R874-C878 PolarHBondContact O-N 3.23Å
875	A	89.5	Confident	88.1	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-47.7	175	0	0	0	0	0	110.8	F214 L867 F871 D877 C878 M879	F214-A875 HydrophobicContact CD1-CB 4Å; F214-A875 HydrophobicContact CD2-CB 4.29Å; F214-A875 HydrophobicContact CE1-CB 3.65Å; F214-A875 HydrophobicContact CE2-CB 3.95Å; F214-A875 HydrophobicContact CG-CB 4.32Å; F214-A875 HydrophobicContact CZ-CB 3.61Å; L867-A875 HydrophobicContact CD2-CB 4.01Å; F871-A875 WeakPolarHBondContact O-CB 3.47Å; F871-A875 PolarHBondContact O-N 3.35Å; A875-D877 PolarHBondContact O-N 3.05Å; A875-C878 PolarHBondContact O-N 2.92Å; A875-M879 VanDerWaalsContact O-CG 3.3Å; A875-M879 WeakPolarHBondContact O-CG 3.34Å; A875-M879 PolarHBondContact O-N 2.86Å
876	L	92.9	Very high	88.2	Confident	7 Å²	7	40 Å²	40	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-60.1	-44.4	179.2	-173.1	60.6	0	0	0	112.7	T854 L855 C858 F872 V873 R880	T854-L876 VanDerWaalsContact C-CD1 3.48Å; T854-L876 WeakPolarHBondContact O-CD1 3.46Å; L855-L876 HydrophobicContact CB-CD1 4.32Å; L855-L876 HydrophobicContact CD1-CD1 4.47Å; L855-L876 HydrophobicContact CD1-CD2 3.96Å; C858-L876 HydrophobicContact CB-CD1 4.28Å; C858-L876 VanDerWaalsContact SG-CA 3.52Å; F872-L876 HydrophobicContact CE1-CD2 4.3Å; F872-L876 WeakPolarHBondContact O-CB 3.16Å; F872-L876 PolarHBondContact O-N 2.96Å; V873-L876 PolarHBondContact O-N 2.77Å; L876-R880 WeakPolarHBondContact O-CB 3.48Å; L876-R880 WeakPolarHBondContact O-CD 3.5Å; L876-R880 WeakPolarHBondContact O-CG 3.3Å; L876-R880 PolarHBondContact O-N 2.79Å; L876-R880 VanDerWaalsContact O-N 3.09Å
877	D	89.2	Confident	88.1	Confident	56 Å²	56	37.4 Å²	37.4	30%	0.299	18%	0.178	S	C	.	.	H	α-helix	trans	-70.1	-36.6	177.6	-75.4	-10.1	0	0	0	112	V873 A875 R881 P915	V873-D877 WeakPolarHBondContact O-CB 3.45Å; V873-D877 PolarHBondContact O-N 2.99Å; A875-D877 PolarHBondContact O-N 3.05Å; D877-R881 VanDerWaalsContact O-CB 3.22Å; D877-R881 WeakPolarHBondContact O-CB 3.45Å; D877-R881 PolarHBondContact O-N 2.86Å; D877-P915 HydrophobicContact CB-CB 4.01Å; D877-P915 HydrophobicContact CB-CG 4.21Å
878	C	86.9	Confident	88.3	Confident	8 Å²	8	37.2 Å²	37.2	5%	0.054	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-52.6	175	-177.1	0	0	0	0	111.4	R874 A875 R880 R881 E882	R874-C878 WeakPolarHBondContact O-CB 3.21Å; R874-C878 PolarHBondContact O-N 3.23Å; A875-C878 PolarHBondContact O-N 2.92Å; C878-R880 VanDerWaalsContact C-N 3.27Å; C878-R880 PolarHBondContact O-N 2.85Å; C878-R881 PolarHBondContact O-N 3.2Å; C878-R881 VanDerWaalsContact O-N 3.11Å; C878-E882 PolarHBondContact O-N 3.12Å
879	M	92.2	Very high	88.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-32.3	179.2	-64.8	173.8	78.6	0	0	112.3	Y212 F214 E226 M321 T854 Q857 C858 L861 A875 G883	Y212-M879 HydrophobicContact CD2-CG 4.43Å; Y212-M879 HydrophobicContact CE1-CG 4.15Å; Y212-M879 HydrophobicContact CE2-CE 4.48Å; Y212-M879 HydrophobicContact CE2-CG 4.02Å; F214-M879 HydrophobicContact CE2-SD 4.27Å; F214-M879 HydrophobicContact CZ-CG 4.24Å; F214-M879 HydrophobicContact CZ-SD 4.38Å; E226-M879 HydrophobicContact CG-CE 3.76Å; E226-M879 WeakPolarHBondContact OE2-CE 3.34Å; M321-M879 HydrophobicContact SD-CE 4.34Å; T854-M879 HydrophobicContact CG2-CB 4.13Å; Q857-M879 HydrophobicContact CB-CE 3.89Å; Q857-M879 HydrophobicContact CG-CE 4.47Å; C858-M879 VanDerWaalsContact SG-SD 3.62Å; L861-M879 HydrophobicContact CD1-SD 4.4Å; A875-M879 VanDerWaalsContact O-CG 3.3Å; A875-M879 WeakPolarHBondContact O-CG 3.34Å; A875-M879 PolarHBondContact O-N 2.86Å; M879-G883 WeakPolarHBondContact O-CA 3.28Å; M879-G883 PolarHBondContact O-N 2.94Å; M879-G883 VanDerWaalsContact O-N 3.15Å
880	R	93.6	Very high	88.9	Confident	3 Å²	3	31 Å²	31	1%	0.011	15%	0.149	C	C	.	.	H	α-helix	trans	-75.6	-30.5	173.8	-74.3	173.6	177.5	170.7	1.1	114.1	M851 T854 L876 C878 Y898 C911 R913 P915	M851-R880 HydrophobicContact CE-CG 4.06Å; M851-R880 PolarHBondContact O-NH2 3.39Å; T854-R880 HydrophobicContact CG2-CG 3.96Å; T854-R880 VanDerWaalsContact OG1-CG 3.31Å; T854-R880 WeakPolarHBondContact OG1-CG 3.44Å; T854-R880 PolarHBondContact OG1-NE 3.01Å; L876-R880 WeakPolarHBondContact O-CB 3.48Å; L876-R880 WeakPolarHBondContact O-CD 3.5Å; L876-R880 WeakPolarHBondContact O-CG 3.3Å; L876-R880 PolarHBondContact O-N 2.79Å; L876-R880 VanDerWaalsContact O-N 3.09Å; C878-R880 VanDerWaalsContact C-N 3.27Å; C878-R880 PolarHBondContact O-N 2.85Å; R880-Y898 WeakPolarHBondContact O-CE2 3.49Å; R880-Y898 PolarHBondContact O-OH 2.85Å; R880-C911 VanDerWaalsContact CZ-O 3.3Å; R880-C911 PolarHBondContact NH1-O 2.92Å; R880-C911 PolarHBondContact NH2-O 3.16Å; R880-R913 PolarHBondContact NH1-O 2.71Å; R880-P915 HydrophobicContact CB-CG 4.16Å
881	R	86.3	Confident	89.3	Confident	67 Å²	67	26.9 Å²	26.9	25%	0.253	13%	0.125	S	C	.	.	H	α-helix	trans	-85.7	-45.1	-177.9	-173.3	-174.8	-64.4	-80	-7.5	112.5	D877 C878 I886 D916 T918	D877-R881 VanDerWaalsContact O-CB 3.22Å; D877-R881 WeakPolarHBondContact O-CB 3.45Å; D877-R881 PolarHBondContact O-N 2.86Å; C878-R881 PolarHBondContact O-N 3.2Å; C878-R881 VanDerWaalsContact O-N 3.11Å; R881-I886 VanDerWaalsContact O-CG2 3.31Å; R881-I886 WeakPolarHBondContact O-CG2 3.43Å; R881-D916 PolarHBondContact NH1-O 3.27Å; R881-D916 PolarHBondContact NH2-O 3.06Å; R881-T918 HydrophobicContact CB-CG2 3.99Å; R881-T918 HydrophobicContact CG-CG2 3.77Å
882	E	81.3	Confident	89.5	Confident	25 Å²	25	25.8 Å²	25.8	12%	0.117	12%	0.12	C	C	.	.	H	α-helix	trans	-115.5	-6.9	-169.6	-54.5	-56.4	158.2	0	0	113.5	T87 K210 C878	T87-E882 HydrophobicContact CG2-CB 4.33Å; T87-E882 HydrophobicContact CG2-CG 4.46Å; K210-E882 VanDerWaalsContact CD-O 3.28Å; K210-E882 WeakPolarHBondContact CD-O 3.31Å; K210-E882 WeakPolarHBondContact CE-O 3.42Å; K210-E882 PolarHBondContact NZ-O 3.44Å; C878-E882 PolarHBondContact O-N 3.12Å
883	G	86.4	Confident	89.3	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-84	174.9	-171.1	0	0	0	0	0	117	Y212 M879 R885 I886	Y212-G883 WeakPolarHBondContact OH-CA 3.38Å; M879-G883 WeakPolarHBondContact O-CA 3.28Å; M879-G883 PolarHBondContact O-N 2.94Å; M879-G883 VanDerWaalsContact O-N 3.15Å; G883-R885 PolarHBondContact O-N 3.14Å; G883-I886 WeakPolarHBondContact O-CG2 3.24Å; G883-I886 PolarHBondContact O-N 2.92Å
884	C	89	Confident	89	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.3	-25.8	-172.7	-50.9	0	0	0	0	112.7	V208 K210 E226 M228 E887 N888	V208-C884 HydrophobicContact CB-CB 4.48Å; V208-C884 HydrophobicContact CG1-CB 4.06Å; V208-C884 PolarHBondContact O-SG 3.48Å; K210-C884 WeakPolarHBondContact CG-SG 3.49Å; E226-C884 PolarHBondContact O-SG 2.92Å; M228-C884 HydrophobicContact CB-CB 3.65Å; M228-C884 WeakPolarHBondContact CE-O 3.48Å; C884-E887 WeakPolarHBondContact O-CB 3.48Å; C884-E887 PolarHBondContact O-N 3.16Å; C884-N888 PolarHBondContact O-N 2.92Å
885	R	94.8	Very high	88.9	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.5	-30.5	176.1	-64	-45.1	-55.1	-175.3	-3.1	114.4	T337 A845 S850 V853 T854 G883 E887 N888 V889	T337-R885 PolarHBondContact OG1-NH1 3.47Å; A845-R885 PolarHBondContact O-NH2 3.38Å; S850-R885 PolarHBondContact OG-NE 3.04Å; S850-R885 VanDerWaalsContact OG-NE 3.16Å; V853-R885 HydrophobicContact CG1-CG 4.28Å; T854-R885 HydrophobicContact CG2-CG 4.17Å; G883-R885 PolarHBondContact O-N 3.14Å; R885-E887 VanDerWaalsContact C-N 3.35Å; R885-N888 WeakPolarHBondContact O-CB 3.41Å; R885-V889 WeakPolarHBondContact O-CG2 3.43Å; R885-V889 PolarHBondContact O-N 3.5Å
886	I	91.4	Very high	88.7	Confident	2 Å²	2	33 Å²	33	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-73.5	-32.6	171.1	-157.7	66.2	0	0	0	110.8	R881 G883 N888 V889 Q890 R896 Y898	R881-I886 VanDerWaalsContact O-CG2 3.31Å; R881-I886 WeakPolarHBondContact O-CG2 3.43Å; G883-I886 WeakPolarHBondContact O-CG2 3.24Å; G883-I886 PolarHBondContact O-N 2.92Å; I886-N888 VanDerWaalsContact C-N 3.31Å; I886-N888 PolarHBondContact O-N 3.09Å; I886-V889 HydrophobicContact CD1-CB 4.46Å; I886-V889 HydrophobicContact CD1-CG2 4.24Å; I886-V889 WeakPolarHBondContact O-CA 3.39Å; I886-V889 WeakPolarHBondContact O-CB 3.44Å; I886-V889 PolarHBondContact O-N 2.95Å; I886-Q890 PolarHBondContact O-N 3.13Å; I886-R896 HydrophobicContact CD1-CB 4.46Å; I886-R896 HydrophobicContact CG1-CB 3.79Å; I886-R896 HydrophobicContact CG1-CG 4.09Å; I886-Y898 HydrophobicContact CD1-CD2 4.11Å; I886-Y898 HydrophobicContact CD1-CE1 4.09Å; I886-Y898 HydrophobicContact CD1-CE2 3.66Å
887	E	89.3	Confident	88.4	Confident	23 Å²	23	36.7 Å²	36.7	11%	0.107	16%	0.16	C	C	.	.	H	α-helix	trans	-68	-31.6	174.9	-50	-65.6	-170.3	0	0	111.4	V208 K210 C884 R885 V889 Q890 K891 R896	V208-E887 HydrophobicContact CG1-CB 3.91Å; V208-E887 HydrophobicContact CG1-CG 3.84Å; K210-E887 WeakPolarHBondContact CE-OE1 3.27Å; K210-E887 IonicContact NZ-OE1 3.99Å; K210-E887 PolarHBondContact NZ-OE1 3.07Å; C884-E887 WeakPolarHBondContact O-CB 3.48Å; C884-E887 PolarHBondContact O-N 3.16Å; R885-E887 VanDerWaalsContact C-N 3.35Å; E887-V889 VanDerWaalsContact C-N 3.3Å; E887-V889 PolarHBondContact O-N 3.3Å; E887-Q890 WeakPolarHBondContact O-CB 3.44Å; E887-Q890 PolarHBondContact O-N 2.79Å; E887-K891 WeakPolarHBondContact O-CG 3.34Å; E887-K891 PolarHBondContact O-N 2.81Å; E887-R896 IonicContact OE1-CZ 3.68Å; E887-R896 IonicContact OE1-NE 3.01Å; E887-R896 IonicContact OE1-NH2 2.96Å; E887-R896 PolarHBondContact OE1-NH2 2.96Å; E887-R896 IonicContact OE2-CZ 3.04Å; E887-R896 VanDerWaalsContact OE2-CZ 3.27Å; E887-R896 IonicContact OE2-NE 2.66Å; E887-R896 PolarHBondContact OE2-NE 2.79Å; E887-R896 IonicContact OE2-NH2 3.74Å; E887-R896 PolarHBondContact OE2-NH2 2.88Å
888	N	93.1	Very high	88.6	Confident	0 Å²	0	34 Å²	34	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.9	-41.3	167.7	-175	-100.8	0	0	0	111.8	M228 N315 H317 C884 R885 I886 K891 N892	M228-N888 HydrophobicContact CE-CB 4Å; M228-N888 HydrophobicContact SD-CB 3.74Å; N315-N888 PolarHBondContact ND2-OD1 3.23Å; N315-N888 PolarHBondContact OD1-ND2 3.26Å; N315-N888 PolarHBondContact OD1-OD1 2.95Å; H317-N888 PolarHBondContact CE1-ND2 3.17Å; H317-N888 PolarHBondContact ND1-ND2 3.13Å; H317-N888 PolarHBondContact NE2-ND2 3.05Å; C884-N888 PolarHBondContact O-N 2.92Å; R885-N888 WeakPolarHBondContact O-CB 3.41Å; I886-N888 VanDerWaalsContact C-N 3.31Å; I886-N888 PolarHBondContact O-N 3.09Å; N888-K891 PolarHBondContact O-N 3.32Å; N888-N892 WeakPolarHBondContact O-CB 3.45Å; N888-N892 PolarHBondContact O-N 2.88Å; N888-N892 PolarHBondContact O-ND2 2.92Å; N888-N892 PolarHBondContact OD1-ND2 3.25Å
889	V	91.3	Very high	88.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-44.8	174.7	-168.2	0	0	0	0	110.4	K846 R885 I886 E887 K891 N892 I893 C895 K897 Y898	K846-V889 HydrophobicContact CD-CG1 4.12Å; K846-V889 HydrophobicContact CG-CG2 4.16Å; R885-V889 WeakPolarHBondContact O-CG2 3.43Å; R885-V889 PolarHBondContact O-N 3.5Å; I886-V889 HydrophobicContact CD1-CB 4.46Å; I886-V889 HydrophobicContact CD1-CG2 4.24Å; I886-V889 WeakPolarHBondContact O-CA 3.39Å; I886-V889 WeakPolarHBondContact O-CB 3.44Å; I886-V889 PolarHBondContact O-N 2.95Å; E887-V889 VanDerWaalsContact C-N 3.3Å; E887-V889 PolarHBondContact O-N 3.3Å; V889-K891 PolarHBondContact O-N 3.16Å; V889-N892 PolarHBondContact O-N 3.09Å; V889-N892 VanDerWaalsContact O-N 3.11Å; V889-I893 HydrophobicContact CG1-CD1 3.77Å; V889-I893 HydrophobicContact CG1-CG1 3.73Å; V889-I893 VanDerWaalsContact O-CG1 3.24Å; V889-I893 WeakPolarHBondContact O-CG1 3.28Å; V889-I893 PolarHBondContact O-N 3.11Å; V889-C895 WeakPolarHBondContact CG1-O 3.13Å; V889-K897 WeakPolarHBondContact CG1-O 3.38Å; V889-Y898 HydrophobicContact CG2-CD1 3.66Å; V889-Y898 HydrophobicContact CG2-CE1 3.5Å; V889-Y898 VanDerWaalsContact CG2-CE1 3.5Å
890	Q	88.9	Confident	88.6	Confident	62 Å²	62	37 Å²	37	29%	0.29	17%	0.168	S	C	.	.	H	α-helix	trans	-59.8	-44.9	175.7	-174.1	61.7	20.7	0	0	112.4	I886 E887 N892 R894 R896	I886-Q890 PolarHBondContact O-N 3.13Å; E887-Q890 WeakPolarHBondContact O-CB 3.44Å; E887-Q890 PolarHBondContact O-N 2.79Å; Q890-N892 VanDerWaalsContact C-N 3.27Å; Q890-N892 PolarHBondContact O-N 3.04Å; Q890-R894 VanDerWaalsContact CD-C 3.46Å; Q890-R894 VanDerWaalsContact NE2-C 3.3Å; Q890-R894 PolarHBondContact NE2-O 3.21Å; Q890-R894 WeakPolarHBondContact O-CA 3.32Å; Q890-R894 PolarHBondContact O-N 3.03Å; Q890-R894 PolarHBondContact OE1-O 3.01Å; Q890-R896 HydrophobicContact CB-CG 3.99Å; Q890-R896 HydrophobicContact CG-CG 4.33Å
891	K	88.4	Confident	88.3	Confident	50 Å²	50	40.4 Å²	40.4	22%	0.217	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-34.7	174.2	-73.7	-175.1	175.7	-171.7	0	112	N206 E230 F298 E887 N888 V889	N206-K891 PolarHBondContact O-NZ 3.49Å; E230-K891 WeakPolarHBondContact OE1-CD 3.47Å; E230-K891 WeakPolarHBondContact OE1-CE 3.36Å; E230-K891 IonicContact OE1-NZ 2.77Å; E230-K891 PolarHBondContact OE1-NZ 3.34Å; F298-K891 HydrophobicContact CZ-CB 4.13Å; E887-K891 WeakPolarHBondContact O-CG 3.34Å; E887-K891 PolarHBondContact O-N 2.81Å; N888-K891 PolarHBondContact O-N 3.32Å; V889-K891 PolarHBondContact O-N 3.16Å
892	N	88.9	Confident	88.3	Confident	7 Å²	7	42 Å²	42	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-81.9	-41.3	-176.8	-90.3	-96.5	0	0	0	115.3	S301 N315 K846 N888 V889 Q890	S301-N892 VanDerWaalsContact CB-OD1 3.23Å; S301-N892 WeakPolarHBondContact CB-OD1 3.21Å; S301-N892 PolarHBondContact N-OD1 2.91Å; S301-N892 PolarHBondContact OG-OD1 3.25Å; N315-N892 PolarHBondContact OD1-ND2 3.08Å; K846-N892 HydrophobicContact CD-CB 3.74Å; K846-N892 HydrophobicContact CG-CB 4.37Å; N888-N892 WeakPolarHBondContact O-CB 3.45Å; N888-N892 PolarHBondContact O-N 2.88Å; N888-N892 PolarHBondContact O-ND2 2.92Å; N888-N892 PolarHBondContact OD1-ND2 3.25Å; V889-N892 PolarHBondContact O-N 3.09Å; V889-N892 VanDerWaalsContact O-N 3.11Å; Q890-N892 VanDerWaalsContact C-N 3.27Å; Q890-N892 PolarHBondContact O-N 3.04Å
893	I	85.1	Confident	88.5	Confident	52 Å²	52	48 Å²	48	27%	0.267	23%	0.23	S	C	.	.	H	α-helix	trans	-133	10.1	-171.2	61.5	157.4	0	0	0	114	V889 C895 V922	V889-I893 HydrophobicContact CG1-CD1 3.77Å; V889-I893 HydrophobicContact CG1-CG1 3.73Å; V889-I893 VanDerWaalsContact O-CG1 3.24Å; V889-I893 WeakPolarHBondContact O-CG1 3.28Å; V889-I893 PolarHBondContact O-N 3.11Å; I893-C895 HydrophobicContact CD1-CB 4.3Å; I893-C895 HydrophobicContact CG1-CB 4.48Å; I893-C895 PolarHBondContact O-N 3.45Å; I893-V922 HydrophobicContact CD1-CG2 4.1Å
894	R	84.5	Confident	88.5	Confident	199 Å²	199	50 Å²	50	75%	0.751	24%	0.24	S	C	*	.	S	Bend	trans	58.1	15.9	-179.4	-50.2	-57.3	-176.8	179	0.1	115.4	Q890	Q890-R894 VanDerWaalsContact CD-C 3.46Å; Q890-R894 VanDerWaalsContact NE2-C 3.3Å; Q890-R894 PolarHBondContact NE2-O 3.21Å; Q890-R894 WeakPolarHBondContact O-CA 3.32Å; Q890-R894 PolarHBondContact O-N 3.03Å; Q890-R894 PolarHBondContact OE1-O 3.01Å
895	C	83.4	Confident	88.5	Confident	27 Å²	27	50.3 Å²	50.3	18%	0.182	24%	0.241	C	C	.	.	S	Bend	trans	-134.9	135.6	175.8	-173.6	0	0	0	0	111.6	V889 I893 K897 V922	V889-C895 WeakPolarHBondContact CG1-O 3.13Å; I893-C895 HydrophobicContact CD1-CB 4.3Å; I893-C895 HydrophobicContact CG1-CB 4.48Å; I893-C895 PolarHBondContact O-N 3.45Å; C895-K897 PolarHBondContact O-N 2.84Å; C895-V922 HydrophobicContact CB-CG1 4.33Å; C895-V922 HydrophobicContact CB-CG2 3.9Å
896	R	85.5	Confident	88.3	Confident	106 Å²	106	56.1 Å²	56.1	40%	0.4	27%	0.269	S	S	.	.	S	Bend	trans	-80.8	52.1	172.9	-71.5	-173.1	177.6	154.3	1.4	112.1	I886 E887 Q890	I886-R896 HydrophobicContact CD1-CB 4.46Å; I886-R896 HydrophobicContact CG1-CB 3.79Å; I886-R896 HydrophobicContact CG1-CG 4.09Å; E887-R896 IonicContact OE1-CZ 3.68Å; E887-R896 IonicContact OE1-NE 3.01Å; E887-R896 IonicContact OE1-NH2 2.96Å; E887-R896 PolarHBondContact OE1-NH2 2.96Å; E887-R896 IonicContact OE2-CZ 3.04Å; E887-R896 VanDerWaalsContact OE2-CZ 3.27Å; E887-R896 IonicContact OE2-NE 2.66Å; E887-R896 PolarHBondContact OE2-NE 2.79Å; E887-R896 IonicContact OE2-NH2 3.74Å; E887-R896 PolarHBondContact OE2-NH2 2.88Å; Q890-R896 HydrophobicContact CB-CG 3.99Å; Q890-R896 HydrophobicContact CG-CG 4.33Å
897	K	87.9	Confident	88.2	Confident	84 Å²	84	57 Å²	57	37%	0.365	28%	0.277	S	S	.	.	S	Bend	trans	-136.1	126	174.1	-70.2	-178.6	-178	171.5	0	111.6	V889 C895 T918	V889-K897 WeakPolarHBondContact CG1-O 3.38Å; C895-K897 PolarHBondContact O-N 2.84Å; K897-T918 CarbonylContact C-O 3.54Å; K897-T918 WeakPolarHBondContact CA-O 3.47Å
898	Y	91.8	Very high	88.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-64	135.5	170.8	-61.7	-65.9	0	0	0	110.7	D847 M851 R880 I886 V889 F900 P914 T918 Y919 G920	D847-Y898 HydrophobicContact CB-CD1 4.25Å; D847-Y898 WeakPolarHBondContact OD1-CA 3.4Å; M851-Y898 HydrophobicContact CE-CD1 4.16Å; M851-Y898 HydrophobicContact CE-CD2 3.91Å; M851-Y898 HydrophobicContact CE-CE1 3.82Å; M851-Y898 HydrophobicContact CE-CE2 3.53Å; M851-Y898 HydrophobicContact CE-CG 4.2Å; M851-Y898 VanDerWaalsContact CE-CZ 3.49Å; R880-Y898 WeakPolarHBondContact O-CE2 3.49Å; R880-Y898 PolarHBondContact O-OH 2.85Å; I886-Y898 HydrophobicContact CD1-CD2 4.11Å; I886-Y898 HydrophobicContact CD1-CE1 4.09Å; I886-Y898 HydrophobicContact CD1-CE2 3.66Å; V889-Y898 HydrophobicContact CG2-CD1 3.66Å; V889-Y898 HydrophobicContact CG2-CE1 3.5Å; V889-Y898 VanDerWaalsContact CG2-CE1 3.5Å; Y898-F900 HydrophobicContact CG-CE2 4.46Å; Y898-F900 PolarHBondContact O-N 3.47Å; Y898-P914 HydrophobicContact CD2-CB 3.82Å; Y898-P914 HydrophobicContact CE2-CB 4.35Å; Y898-T918 VanDerWaalsContact CD2-O 3.3Å; Y898-T918 WeakPolarHBondContact CD2-O 3.48Å; Y898-T918 PolarHBondContact N-O 3.44Å; Y898-Y919 VanDerWaalsContact O-CA 3.24Å; Y898-Y919 WeakPolarHBondContact O-CA 3.32Å; Y898-Y919 WeakPolarHBondContact O-CB 3.18Å; Y898-G920 PolarHBondContact O-N 3.31Å; Y898-G920 VanDerWaalsContact O-N 3.09Å
899	A	89.8	Confident	88.5	Confident	55 Å²	55	57.7 Å²	57.7	46%	0.455	28%	0.283	S	S	.	.	S	Bend	trans	-81.5	56.9	-174	0	0	0	0	0	112.5	D847	D847-A899 PolarHBondContact OD1-N 2.7Å
900	F	90.4	Very high	88.5	Confident	16 Å²	16	66.3 Å²	66.3	7%	0.07	32%	0.32	C	S	.	.			trans	-118.3	148.1	175.5	-56.6	-61.9	0	0	0	111.2	D847 R848 M851 Y898 L905 F908 P914 G920	D847-F900 HydrophobicContact CB-CD2 4.42Å; D847-F900 HydrophobicContact CB-CE1 3.88Å; D847-F900 HydrophobicContact CB-CE2 3.64Å; D847-F900 HydrophobicContact CB-CZ 3.33Å; R848-F900 HydrophobicContact CG-CE1 4.1Å; R848-F900 HydrophobicContact CG-CZ 4.13Å; M851-F900 HydrophobicContact CG-CE2 4.22Å; M851-F900 HydrophobicContact CG-CZ 4.43Å; Y898-F900 HydrophobicContact CG-CE2 4.46Å; Y898-F900 PolarHBondContact O-N 3.47Å; F900-L905 HydrophobicContact CB-CD1 4.35Å; F900-L905 HydrophobicContact CB-CD2 3.76Å; F900-L905 HydrophobicContact CB-CG 3.99Å; F900-L905 HydrophobicContact CD1-CD2 4.35Å; F900-L905 HydrophobicContact CD2-CD2 4Å; F900-L905 HydrophobicContact CG-CD2 3.81Å; F900-F908 HydrophobicContact CD1-CZ 4.03Å; F900-F908 AromaticContact CE1-CE1 3.88Å; F900-F908 HydrophobicContact CE1-CE1 3.88Å; F900-F908 AromaticContact CE1-CZ 3.52Å; F900-F908 HydrophobicContact CE1-CZ 3.52Å; F900-F908 AromaticContact CZ-CE1 3.95Å; F900-F908 HydrophobicContact CZ-CE1 3.95Å; F900-F908 HydrophobicContact CZ-CZ 4.08Å; F900-P914 HydrophobicContact CD2-CG 3.92Å; F900-P914 HydrophobicContact CE2-CG 4.35Å; F900-G920 WeakPolarHBondContact O-CA 3.38Å; F900-G920 PolarHBondContact O-N 3.12Å
901	N	87.1	Confident	88.6	Confident	74 Å²	74	66.1 Å²	66.1	40%	0.396	33%	0.325	S	S	.	.			trans	-106.7	160.8	165.2	75.9	58.8	0	0	0	111.9	L903 Q904 L905	N901-L903 VanDerWaalsContact C-N 3.3Å; N901-L903 PolarHBondContact O-N 3.04Å; N901-L903 WeakPolarHBondContact OD1-CB 3.46Å; N901-L903 PolarHBondContact OD1-N 3.04Å; N901-Q904 VanDerWaalsContact ND2-CD 3.32Å; N901-Q904 WeakPolarHBondContact ND2-CG 3.13Å; N901-Q904 PolarHBondContact ND2-OE1 2.99Å; N901-Q904 WeakPolarHBondContact O-CB 3.49Å; N901-Q904 PolarHBondContact O-N 3.05Å; N901-Q904 VanDerWaalsContact O-N 3.11Å; N901-Q904 PolarHBondContact OD1-N 2.51Å; N901-L905 PolarHBondContact O-N 3.33Å; N901-L905 VanDerWaalsContact O-N 3.11Å
902	M	85.7	Confident	89	Confident	100 Å²	100	63.8 Å²	63.8	49%	0.493	32%	0.315	S	S	.	.	H	α-helix	trans	-55.7	-40.5	-175.8	-175.5	63.2	75.7	0	0	113.3	L905 M906 Y919	M902-L905 PolarHBondContact O-N 3.16Å; M902-M906 HydrophobicContact CG-CE 4.29Å; M902-M906 WeakPolarHBondContact O-CG 3.41Å; M902-M906 PolarHBondContact O-N 3.46Å; M902-M906 VanDerWaalsContact O-N 3.16Å; M902-M906 HydrophobicContact SD-CE 3.98Å; M902-Y919 HydrophobicContact CE-CE2 4.31Å; M902-Y919 WeakPolarHBondContact CE-OH 3.06Å
903	L	85.1	Confident	89.2	Confident	150 Å²	150	67.2 Å²	67.2	79%	0.785	33%	0.328	S	S	*	.	H	α-helix	trans	-66.6	-37.5	179.4	-74.8	133.1	0	0	0	112	N901 M906	N901-L903 VanDerWaalsContact C-N 3.3Å; N901-L903 PolarHBondContact O-N 3.04Å; N901-L903 WeakPolarHBondContact OD1-CB 3.46Å; N901-L903 PolarHBondContact OD1-N 3.04Å; L903-M906 PolarHBondContact O-N 2.65Å
904	Q	87.9	Confident	89.6	Confident	44 Å²	44	65.1 Å²	65.1	21%	0.206	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-45.9	173.2	-66	173.9	-58.9	0	0	110.9	E752 N901 M906 A907 F908	E752-Q904 HydrophobicContact CG-CG 4.26Å; E752-Q904 PolarHBondContact OE1-NE2 3.17Å; N901-Q904 VanDerWaalsContact ND2-CD 3.32Å; N901-Q904 WeakPolarHBondContact ND2-CG 3.13Å; N901-Q904 PolarHBondContact ND2-OE1 2.99Å; N901-Q904 WeakPolarHBondContact O-CB 3.49Å; N901-Q904 PolarHBondContact O-N 3.05Å; N901-Q904 VanDerWaalsContact O-N 3.11Å; N901-Q904 PolarHBondContact OD1-N 2.51Å; Q904-M906 PolarHBondContact O-N 2.88Å; Q904-A907 WeakPolarHBondContact O-CB 3.02Å; Q904-A907 PolarHBondContact O-N 3.26Å; Q904-F908 VanDerWaalsContact O-CD2 3.28Å; Q904-F908 WeakPolarHBondContact O-CD2 3.39Å
905	L	89.3	Confident	89.8	Confident	6 Å²	6	56.1 Å²	56.1	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-28	-179.2	-65.5	-176.4	0	0	0	113.4	F900 N901 M902 A907 F908 R913 P914 Y919	F900-L905 HydrophobicContact CB-CD1 4.35Å; F900-L905 HydrophobicContact CB-CD2 3.76Å; F900-L905 HydrophobicContact CB-CG 3.99Å; F900-L905 HydrophobicContact CD1-CD2 4.35Å; F900-L905 HydrophobicContact CD2-CD2 4Å; F900-L905 HydrophobicContact CG-CD2 3.81Å; N901-L905 PolarHBondContact O-N 3.33Å; N901-L905 VanDerWaalsContact O-N 3.11Å; M902-L905 PolarHBondContact O-N 3.16Å; L905-A907 PolarHBondContact O-N 3.05Å; L905-F908 HydrophobicContact CD2-CD1 4.49Å; L905-F908 HydrophobicContact CD2-CG 4.41Å; L905-F908 PolarHBondContact O-N 3.11Å; L905-R913 PolarHBondContact O-NE 3.36Å; L905-R913 PolarHBondContact O-NH2 3.08Å; L905-P914 HydrophobicContact CD1-CG 3.81Å; L905-P914 HydrophobicContact CD2-CG 4.09Å; L905-Y919 HydrophobicContact CD1-CD1 4.01Å; L905-Y919 HydrophobicContact CD1-CD2 3.64Å; L905-Y919 HydrophobicContact CD1-CE1 3.88Å; L905-Y919 HydrophobicContact CD1-CE2 3.53Å; L905-Y919 HydrophobicContact CD1-CG 3.89Å
906	M	89.4	Confident	89.9	Confident	121 Å²	121	59.1 Å²	59.1	60%	0.596	30%	0.299	S	S	*	.	H	α-helix	trans	-59.9	-28	171.8	-68.3	-62	173.2	0	0	112.9	M902 L903 Q904 R913	M902-M906 HydrophobicContact CG-CE 4.29Å; M902-M906 WeakPolarHBondContact O-CG 3.41Å; M902-M906 PolarHBondContact O-N 3.46Å; M902-M906 VanDerWaalsContact O-N 3.16Å; M902-M906 HydrophobicContact SD-CE 3.98Å; L903-M906 PolarHBondContact O-N 2.65Å; Q904-M906 PolarHBondContact O-N 2.88Å; M906-R913 PolarHBondContact O-NH2 3.1Å; M906-R913 VanDerWaalsContact O-NH2 3.09Å
907	A	90.5	Very high	89.8	Confident	20 Å²	20	56.4 Å²	56.4	17%	0.165	30%	0.304	C	S	.	.	H	α-helix	trans	-81.2	-17.1	175.6	0	0	0	0	0	114.1	E752 K819 Q904 L905	E752-A907 HydrophobicContact CB-CB 3.86Å; K819-A907 PolarHBondContact NZ-O 3.29Å; Q904-A907 WeakPolarHBondContact O-CB 3.02Å; Q904-A907 PolarHBondContact O-N 3.26Å; L905-A907 PolarHBondContact O-N 3.05Å
908	F	93.5	Very high	89.6	Confident	5 Å²	5	52.7 Å²	52.7	2%	0.022	29%	0.288	C	S	.	.	S	Bend	trans	-78.1	145.5	-177.6	-80.5	-131	0	0	0	111.2	I750 N751 R848 F900 Q904 L905 R913	I750-F908 HydrophobicContact CD1-CD1 4.08Å; I750-F908 HydrophobicContact CD1-CE1 3.86Å; I750-F908 HydrophobicContact CG1-CD1 4.42Å; I750-F908 HydrophobicContact CG1-CE1 4.17Å; N751-F908 HydrophobicContact CB-CE2 3.84Å; N751-F908 HydrophobicContact CB-CZ 4.09Å; R848-F908 HydrophobicContact CG-CE1 4.06Å; R848-F908 HydrophobicContact CG-CZ 4.06Å; F900-F908 HydrophobicContact CD1-CZ 4.03Å; F900-F908 AromaticContact CE1-CE1 3.88Å; F900-F908 HydrophobicContact CE1-CE1 3.88Å; F900-F908 AromaticContact CE1-CZ 3.52Å; F900-F908 HydrophobicContact CE1-CZ 3.52Å; F900-F908 AromaticContact CZ-CE1 3.95Å; F900-F908 HydrophobicContact CZ-CE1 3.95Å; F900-F908 HydrophobicContact CZ-CZ 4.08Å; Q904-F908 VanDerWaalsContact O-CD2 3.28Å; Q904-F908 WeakPolarHBondContact O-CD2 3.39Å; L905-F908 HydrophobicContact CD2-CD1 4.49Å; L905-F908 HydrophobicContact CD2-CG 4.41Å; L905-F908 PolarHBondContact O-N 3.11Å; F908-R913 HydrophobicContact CB-CG 4.07Å; F908-R913 PolarHBondContact O-NE 3.46Å; F908-R913 VanDerWaalsContact O-NE 3.13Å; F908-R913 PolarHBondContact O-NH2 3.49Å
909	P	94.3	Very high	89.4	Confident	33 Å²	33	54.4 Å²	54.4	21%	0.214	30%	0.295	C	S	.	.			trans	-54.7	143.8	165.5	-19.9	31.1	0	0	0	110.6	V821 C911 Y912	V821-P909 HydrophobicContact CG1-CG 4.36Å; P909-C911 PolarHBondContact O-N 3.02Å; P909-Y912 HydrophobicContact CB-CD2 4.04Å; P909-Y912 HydrophobicContact CG-CD2 4.27Å; P909-Y912 WeakPolarHBondContact O-CB 3.34Å; P909-Y912 PolarHBondContact O-N 2.87Å
910	K	91.3	Very high	89	Confident	181 Å²	181	52.8 Å²	52.8	79%	0.787	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-52.8	-48.8	-169.7	-69.1	-174.7	179.3	-178.7	0	113.2	Y912 R913	K910-Y912 PolarHBondContact O-N 2.99Å; K910-R913 WeakPolarHBondContact O-CB 3.43Å; K910-R913 PolarHBondContact O-N 3.12Å
911	C	91.9	Very high	87.8	Confident	58 Å²	58	60.6 Å²	60.6	39%	0.392	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-67.2	-14.9	-178.4	-55.7	0	0	0	0	114.1	L855 R880 P909	L855-C911 HydrophobicContact CD1-CB 3.85Å; L855-C911 HydrophobicContact CD2-CB 3.83Å; R880-C911 VanDerWaalsContact CZ-O 3.3Å; R880-C911 PolarHBondContact NH1-O 2.92Å; R880-C911 PolarHBondContact NH2-O 3.16Å; P909-C911 PolarHBondContact O-N 3.02Å
912	Y	95.3	Very high	86.4	Confident	1 Å²	1	60.3 Å²	60.3	0%	0.004	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-93.4	7.3	177.7	-80.2	-95.6	0	0	0	113.5	L665 I750 V821 W825 M851 S852 L855 P909 K910	L665-Y912 HydrophobicContact CD2-CE1 4.42Å; I750-Y912 HydrophobicContact CD1-CD1 3.5Å; I750-Y912 HydrophobicContact CD1-CE1 4.09Å; I750-Y912 HydrophobicContact CD1-CG 4.15Å; V821-Y912 HydrophobicContact CB-CE2 4.2Å; V821-Y912 HydrophobicContact CG1-CE2 4.04Å; V821-Y912 HydrophobicContact CG2-CE2 4.28Å; W825-Y912 AromaticContact CZ2-CE2 3.98Å; W825-Y912 HydrophobicContact CZ2-CE2 3.98Å; W825-Y912 AromaticContact NE1-CZ 3.99Å; W825-Y912 PolarHBondContact NE1-OH 2.95Å; M851-Y912 HydrophobicContact CB-CD1 4.12Å; M851-Y912 VanDerWaalsContact CG-O 3.3Å; M851-Y912 WeakPolarHBondContact CG-O 3.46Å; S852-Y912 WeakPolarHBondContact OG-CE1 3.5Å; S852-Y912 PolarHBondContact OG-OH 2.88Å; L855-Y912 HydrophobicContact CD2-CD2 3.8Å; L855-Y912 HydrophobicContact CD2-CE1 4.45Å; L855-Y912 HydrophobicContact CD2-CE2 3.47Å; L855-Y912 VanDerWaalsContact CD2-CE2 3.47Å; L855-Y912 HydrophobicContact CD2-CG 4.42Å; P909-Y912 HydrophobicContact CB-CD2 4.04Å; P909-Y912 HydrophobicContact CG-CD2 4.27Å; P909-Y912 WeakPolarHBondContact O-CB 3.34Å; P909-Y912 PolarHBondContact O-N 2.87Å; K910-Y912 PolarHBondContact O-N 2.99Å
913	R	94.2	Very high	84.4	Confident	80 Å²	80	62.5 Å²	62.5	30%	0.302	33%	0.333	S	S	.	.	S	Bend	trans	-89.9	134.8	179.3	-62	176.3	-172.9	-161.1	-5.9	110.9	R880 L905 M906 F908 K910	R880-R913 PolarHBondContact NH1-O 2.71Å; L905-R913 PolarHBondContact O-NE 3.36Å; L905-R913 PolarHBondContact O-NH2 3.08Å; M906-R913 PolarHBondContact O-NH2 3.1Å; M906-R913 VanDerWaalsContact O-NH2 3.09Å; F908-R913 HydrophobicContact CB-CG 4.07Å; F908-R913 PolarHBondContact O-NE 3.46Å; F908-R913 VanDerWaalsContact O-NE 3.13Å; F908-R913 PolarHBondContact O-NH2 3.49Å; K910-R913 WeakPolarHBondContact O-CB 3.43Å; K910-R913 PolarHBondContact O-N 3.12Å
914	P	92.6	Very high	81.8	Confident	8 Å²	8	64.4 Å²	64.4	5%	0.052	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-69	153.9	172.7	32	-37.7	0	0	0	111.3	M851 Y898 F900 L905 Y919	M851-P914 HydrophobicContact CE-CB 4.06Å; M851-P914 HydrophobicContact SD-CB 3.76Å; M851-P914 HydrophobicContact SD-CG 4.35Å; Y898-P914 HydrophobicContact CD2-CB 3.82Å; Y898-P914 HydrophobicContact CE2-CB 4.35Å; F900-P914 HydrophobicContact CD2-CG 3.92Å; F900-P914 HydrophobicContact CE2-CG 4.35Å; L905-P914 HydrophobicContact CD1-CG 3.81Å; L905-P914 HydrophobicContact CD2-CG 4.09Å; P914-Y919 HydrophobicContact CB-CD1 4.06Å; P914-Y919 HydrophobicContact CG-CD1 3.5Å; P914-Y919 HydrophobicContact CG-CE1 4.22Å; P914-Y919 HydrophobicContact CG-CG 3.91Å
915	P	89.6	Confident	81.5	Confident	9 Å²	9	65.5 Å²	65.5	6%	0.058	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-70.6	152	176	27.1	-33.2	0	0	0	112.8	D877 R880 T918	D877-P915 HydrophobicContact CB-CB 4.01Å; D877-P915 HydrophobicContact CB-CG 4.21Å; R880-P915 HydrophobicContact CB-CG 4.16Å; P915-T918 HydrophobicContact CG-CG2 3.85Å; P915-T918 WeakPolarHBondContact O-CB 3.3Å; P915-T918 PolarHBondContact O-N 2.89Å; P915-T918 VanDerWaalsContact O-N 3.16Å; P915-T918 PolarHBondContact O-OG1 3.4Å
916	D	84.7	Confident	81.1	Confident	90 Å²	90	68.6 Å²	68.6	48%	0.481	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	139.8	-176.1	-71.6	-32.1	0	0	0	113.7	R881 T918 Y919	R881-D916 PolarHBondContact NH1-O 3.27Å; R881-D916 PolarHBondContact NH2-O 3.06Å; D916-T918 VanDerWaalsContact C-N 3.29Å; D916-Y919 WeakPolarHBondContact OD1-CE1 3.49Å; D916-Y919 PolarHBondContact OD1-OH 3.19Å
917	G	82.9	Confident	80.7	Confident	49 Å²	49	65.7 Å²	65.7	51%	0.505	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-11.6	-174.4	0	0	0	0	0	114.9
918	T	84.1	Confident	80.1	Confident	6 Å²	6	68.4 Å²	68.4	4%	0.037	38%	0.384	C	S	.	.	S	Bend	trans	-93.3	2.1	178.4	69.4	0	0	0	0	114.2	R881 K897 Y898 P915 D916	R881-T918 HydrophobicContact CB-CG2 3.99Å; R881-T918 HydrophobicContact CG-CG2 3.77Å; K897-T918 CarbonylContact C-O 3.54Å; K897-T918 WeakPolarHBondContact CA-O 3.47Å; Y898-T918 VanDerWaalsContact CD2-O 3.3Å; Y898-T918 WeakPolarHBondContact CD2-O 3.48Å; Y898-T918 PolarHBondContact N-O 3.44Å; P915-T918 HydrophobicContact CG-CG2 3.85Å; P915-T918 WeakPolarHBondContact O-CB 3.3Å; P915-T918 PolarHBondContact O-N 2.89Å; P915-T918 VanDerWaalsContact O-N 3.16Å; P915-T918 PolarHBondContact O-OG1 3.4Å; D916-T918 VanDerWaalsContact C-N 3.29Å
919	Y	87.1	Confident	79.2	Confident	36 Å²	36	72.3 Å²	72.3	14%	0.141	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-136.2	154.8	-178.9	62.1	-89.2	0	0	0	111.7	Y898 M902 L905 P914 D916	Y898-Y919 VanDerWaalsContact O-CA 3.24Å; Y898-Y919 WeakPolarHBondContact O-CA 3.32Å; Y898-Y919 WeakPolarHBondContact O-CB 3.18Å; M902-Y919 HydrophobicContact CE-CE2 4.31Å; M902-Y919 WeakPolarHBondContact CE-OH 3.06Å; L905-Y919 HydrophobicContact CD1-CD1 4.01Å; L905-Y919 HydrophobicContact CD1-CD2 3.64Å; L905-Y919 HydrophobicContact CD1-CE1 3.88Å; L905-Y919 HydrophobicContact CD1-CE2 3.53Å; L905-Y919 HydrophobicContact CD1-CG 3.89Å; P914-Y919 HydrophobicContact CB-CD1 4.06Å; P914-Y919 HydrophobicContact CG-CD1 3.5Å; P914-Y919 HydrophobicContact CG-CE1 4.22Å; P914-Y919 HydrophobicContact CG-CG 3.91Å; D916-Y919 WeakPolarHBondContact OD1-CE1 3.49Å; D916-Y919 PolarHBondContact OD1-OH 3.19Å
920	G	82.1	Confident	78.2	Confident	22 Å²	22	74.9 Å²	74.9	23%	0.227	42%	0.419	C	S	.	.	S	Bend	trans	157.7	-174	176.1	0	0	0	0	0	112.8	Y898 F900	Y898-G920 PolarHBondContact O-N 3.31Å; Y898-G920 VanDerWaalsContact O-N 3.09Å; F900-G920 WeakPolarHBondContact O-CA 3.38Å; F900-G920 PolarHBondContact O-N 3.12Å
921	K	65.5	Low	77.3	Confident	179 Å²	179	67.4 Å²	67.4	78%	0.778	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-72.5	146.4	162.9	-72.3	-173.3	176.4	-177.1	0	109.2
922	V	56.8	Low	76.2	Confident	68 Å²	68	68.1 Å²	68.1	41%	0.412	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-82.1	119.3	159.5	-175.8	0	0	0	0	105.1	I893 C895 S924	I893-V922 HydrophobicContact CD1-CG2 4.1Å; C895-V922 HydrophobicContact CB-CG1 4.33Å; C895-V922 HydrophobicContact CB-CG2 3.9Å; V922-S924 PolarHBondContact O-N 3.02Å
923	D	43.3	Very low	74.6	Confident	147 Å²	147	73.7 Å²	73.7	79%	0.786	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-70.6	122	165.8	-61.5	-49.1	0	0	0	106.6
924	S	32.3	Very low	72.8	Confident	190 Å²	190	73.1 Å²	73.1	100%	1.329	44%	0.437	S	S	*	.			trans	-86	0	-166.1	-54.7	0	0	0	0	113.7	V922	V922-S924 PolarHBondContact O-N 3.02Å

Retrieved 924 of 924 residues in 573.4 ms (Link to these results)

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