A0A3Q0KP40_SCHMA Loading...

Exocyst complex component

Component of the exocyst complex involved in the docking of exocytic vesicles with fusion sites on the plasma membrane.

AlphaFold DB , UniProt , Accession A0A3Q0KP40, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 933 aa.

						>A0A3Q0KP40_SCHMA|A0A3Q0KP40
MSSPNINNLNFNLLLDEIESGSSGSLANVIRKLRESELAAFKARIGGPTGELLANFIASLDLRASEHNAEIEKTCSYHYQSFVDSTRELLDIQQNAEKLENDLQALNVELEVTVNKFSESCDKLAACKLTLDHVNQCIEAIQISLPILEQYSRIEQSIADGRYYHALKNLEDLEHSQLDLIRPFAFSEIIIHRIPKTRTRIKNASLDELTDFLEYIRKNSIVLGAFAMREAAQLSGIDSEALCDTLVVNGYKETQDVSKKSNKESQQVASKSTVHKVSVNTNTDSLDNELEMLTQIVTNTNRSCNTNDDHGETEITIRTQINVNDNDKSCNRTYSKVEDLVDFGPVYRCLHIHSVLNERAEFERHYCTQRRKQCQLILSLSPNQQVEMRNYGEFFSGICGFFVVDDFIRHTLSGSSVFYQTYLDELWVHTVNRLIDFVHINAKSCDSPNDLIKLKDYLIIFERTMQNLGFPITGLNETIGIVQRYYHRLLASQWKSKFETIIAEDNYETIKISNPEQLTKFLEMYPPGDTVEFSELPFPKQLCFSWIVPKIYRTVREYINLCYRFCENMDLAYTELEDTINRATNFLFSQCLNTVLTSGVRSSLRQLPRLMQFCINLDELETVCGHLDNYLQYTLLDEASSITSGRLKDFGLIRDNQREDSDMTASVTLNSGANPPRSRLQGASLLKDIRVLVEDQICNHLKDSVTKFINLSNYDDIDDNNSGQINNNTNKNDQTVDGRNGVSYTANTKIKPTENIVHLTSWLKSVFDSFSNLPPKIAQTACMSVCKHIARLLYDVLFGSQVRSLSETGLQQLSIDLSLCESFARSQPVPGLDRTTLWLIFADLRQLLDLYHKDDWNSYIAFRKNVIGSGKYGSAYDRVPPSVAIKLLERLRDSDKKRTGFLQAMRKEERGRKKKLEDIIRQLRELNVTPRNN
					

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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	31.6	Very low	48	Very low	229 Å²	229	128.7 Å²	128.7	100%	1.128	71%	0.712	S	S	*	*				0	91.4	0	-67	-158.9	168	0	0	107.1
2	S	41	Very low	49.7	Very low	116 Å²	116	128.1 Å²	128.1	81%	0.811	71%	0.707	S	S	*	*				77.6	68	80.7	60.5	0	0	0	0	113.2
3	S	38.3	Very low	50.8	Low	113 Å²	113	126.2 Å²	126.2	79%	0.79	69%	0.694	S	S	*	*			trans	170.6	148.1	162.3	44	0	0	0	0	108.9
4	P	41.2	Very low	51.8	Low	120 Å²	120	118 Å²	118	78%	0.779	65%	0.649	S	S	*	*				-103.1	149.7	-65.1	32.9	-18.7	0	0	0	113	I6	P4-I6 PolarHBondContact O-N 3.26Å
5	N	38.4	Very low	52.9	Low	157 Å²	157	116.5 Å²	116.5	84%	0.84	64%	0.639	S	S	*	*			trans	-60.6	119.7	178.4	-106	-18.4	0	0	0	112.4	N7	N5-N7 PolarHBondContact O-N 3.46Å
6	I	44.3	Very low	53.9	Low	97 Å²	97	115.8 Å²	115.8	50%	0.497	63%	0.634	S	S	.	*			trans	-82.4	103.6	165.9	-60.7	172.1	0	0	0	106.7	P4 N8 A43	P4-I6 PolarHBondContact O-N 3.26Å; I6-N8 PolarHBondContact O-N 3.45Å; I6-N8 VanDerWaalsContact O-N 3.13Å; I6-A43 HydrophobicContact CD1-CB 3.74Å; I6-A43 HydrophobicContact CG1-CB 4.48Å
7	N	50.7	Low	54.6	Low	138 Å²	138	111.6 Å²	111.6	74%	0.738	61%	0.609	S	S	*	*			trans	-60.7	113.1	170.6	-76.4	-23.5	0	0	0	108.7	N5 L9	N5-N7 PolarHBondContact O-N 3.46Å; N7-L9 PolarHBondContact O-N 2.7Å
8	N	53.4	Low	55.3	Low	162 Å²	162	107.7 Å²	107.7	87%	0.866	59%	0.587	S	S	*	*			trans	-52	124	171.9	-95	-24.5	0	0	0	110.4	I6 N10	I6-N8 PolarHBondContact O-N 3.45Å; I6-N8 VanDerWaalsContact O-N 3.13Å; N8-N10 PolarHBondContact O-N 2.99Å
9	L	58.1	Low	55.8	Low	57 Å²	57	109.9 Å²	109.9	30%	0.298	59%	0.593	S	S	.	*			trans	-61.2	128	172.3	-102.3	75	0	0	0	110.2	N7 F11 L14 L33	N7-L9 PolarHBondContact O-N 2.7Å; L9-F11 HydrophobicContact CB-CE2 4.11Å; L9-F11 HydrophobicContact CB-CZ 4.3Å; L9-F11 PolarHBondContact O-N 3.02Å; L9-L14 HydrophobicContact CD2-CD1 3.76Å; L9-L33 HydrophobicContact CD2-CD2 4.07Å
10	N	65.1	Low	56.5	Low	96 Å²	96	107.9 Å²	107.9	51%	0.513	59%	0.588	S	S	.	*			trans	-89.1	95.8	171.9	-168.3	-17.4	0	0	0	109.4	N8 N12 L13	N8-N10 PolarHBondContact O-N 2.99Å; N10-N12 PolarHBondContact O-N 3.37Å; N10-N12 PolarHBondContact OD1-N 3.46Å; N10-L13 PolarHBondContact O-N 3.46Å
11	F	65.6	Low	56.7	Low	131 Å²	131	105.4 Å²	105.4	58%	0.575	59%	0.587	S	S	*	*	H	α-helix	trans	-63.1	-24.6	-175.2	-73	-84.7	0	0	0	114.3	L9 L13 L14 L15 L33	L9-F11 HydrophobicContact CB-CE2 4.11Å; L9-F11 HydrophobicContact CB-CZ 4.3Å; L9-F11 PolarHBondContact O-N 3.02Å; F11-L13 PolarHBondContact O-N 3.47Å; F11-L14 HydrophobicContact CD1-CD1 4.48Å; F11-L14 PolarHBondContact O-N 3.48Å; F11-L15 PolarHBondContact O-N 2.96Å; F11-L33 HydrophobicContact CE1-CD2 4.44Å
12	N	68.5	Low	58.2	Low	121 Å²	121	97.2 Å²	97.2	65%	0.647	55%	0.552	S	S	*	*	H	α-helix	trans	-64.9	-39.8	178.3	-70.2	-19.3	0	0	0	111.8	N10 L14 L15 D16	N10-N12 PolarHBondContact O-N 3.37Å; N10-N12 PolarHBondContact OD1-N 3.46Å; N12-L14 VanDerWaalsContact C-N 3.31Å; N12-L14 PolarHBondContact O-N 3.18Å; N12-L15 WeakPolarHBondContact O-CB 3.49Å; N12-L15 PolarHBondContact O-N 3.21Å; N12-D16 PolarHBondContact O-N 3.41Å; N12-D16 VanDerWaalsContact O-N 3.1Å
13	L	64.2	Low	59.3	Low	103 Å²	103	95.5 Å²	95.5	54%	0.539	54%	0.54	S	S	.	.	H	α-helix	trans	-66.5	-33.1	176.4	-100.9	160.3	0	0	0	112.8	N10 F11 E17	N10-L13 PolarHBondContact O-N 3.46Å; F11-L13 PolarHBondContact O-N 3.47Å; L13-E17 PolarHBondContact O-N 3.49Å
14	L	65.1	Low	60.6	Low	12 Å²	12	92.3 Å²	92.3	6%	0.063	53%	0.526	C	S	.	.	H	α-helix	trans	-72	-33.9	175.3	-70.8	167.2	0	0	0	111.1	L9 F11 N12 E17 I18 V29 K32 L33	L9-L14 HydrophobicContact CD2-CD1 3.76Å; F11-L14 HydrophobicContact CD1-CD1 4.48Å; F11-L14 PolarHBondContact O-N 3.48Å; N12-L14 VanDerWaalsContact C-N 3.31Å; N12-L14 PolarHBondContact O-N 3.18Å; L14-E17 PolarHBondContact O-N 3.04Å; L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.42Å; L14-I18 PolarHBondContact O-N 3.04Å; L14-V29 HydrophobicContact CD2-CB 4.27Å; L14-V29 HydrophobicContact CD2-CG1 4.07Å; L14-V29 HydrophobicContact CD2-CG2 4.06Å; L14-K32 HydrophobicContact CD2-CB 3.93Å; L14-K32 HydrophobicContact CD2-CD 3.65Å; L14-K32 HydrophobicContact CD2-CG 4.46Å; L14-L33 HydrophobicContact CD1-CD2 3.98Å; L14-L33 HydrophobicContact CD1-CG 4.47Å
15	L	67.9	Low	61.8	Low	95 Å²	95	87.9 Å²	87.9	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-64.9	-46.3	175.2	-131.4	87.7	0	0	0	111.5	F11 N12 E17 I18 E19	F11-L15 PolarHBondContact O-N 2.96Å; N12-L15 WeakPolarHBondContact O-CB 3.49Å; N12-L15 PolarHBondContact O-N 3.21Å; L15-E17 VanDerWaalsContact C-N 3.29Å; L15-E17 PolarHBondContact O-N 3.46Å; L15-I18 WeakPolarHBondContact O-CB 3.39Å; L15-I18 PolarHBondContact O-N 3.43Å; L15-I18 VanDerWaalsContact O-N 3.08Å; L15-E19 PolarHBondContact O-N 3.29Å
16	D	69.6	Low	63	Low	105 Å²	105	81.3 Å²	81.3	56%	0.561	46%	0.462	S	S	*	.	H	α-helix	trans	-59.4	-39.9	176.1	-73.4	-14.9	0	0	0	111.7	N12 E19 S20	N12-D16 PolarHBondContact O-N 3.41Å; N12-D16 VanDerWaalsContact O-N 3.1Å; D16-E19 PolarHBondContact O-N 3.11Å; D16-S20 PolarHBondContact O-N 2.92Å; D16-S20 VanDerWaalsContact O-N 3.17Å
17	E	65.9	Low	64.1	Low	46 Å²	46	79.4 Å²	79.4	22%	0.215	46%	0.461	C	S	.	.	H	α-helix	trans	-65.6	-37	175.6	-82.6	-179.8	164.1	0	0	112.1	L13 L14 L15 S20 S25 V29 K32	L13-E17 PolarHBondContact O-N 3.49Å; L14-E17 PolarHBondContact O-N 3.04Å; L15-E17 VanDerWaalsContact C-N 3.29Å; L15-E17 PolarHBondContact O-N 3.46Å; E17-S20 PolarHBondContact O-N 3.39Å; E17-S20 PolarHBondContact O-OG 3.47Å; E17-S25 VanDerWaalsContact O-CB 3.26Å; E17-S25 WeakPolarHBondContact O-CB 3.39Å; E17-V29 HydrophobicContact CB-CG2 3.45Å; E17-V29 VanDerWaalsContact CB-CG2 3.45Å; E17-V29 HydrophobicContact CG-CG2 4.49Å; E17-K32 IonicContact OE1-NZ 3.83Å; E17-K32 PolarHBondContact OE1-NZ 3.44Å; E17-K32 IonicContact OE2-NZ 3.27Å; E17-K32 PolarHBondContact OE2-NZ 3.23Å
18	I	66	Low	65	Low	40 Å²	40	75.6 Å²	75.6	21%	0.205	44%	0.441	C	S	.	.	H	α-helix	trans	-66	-41.3	173.3	-66.7	167.6	0	0	0	110.8	L14 L15 S20 G21 L26 V29 F56 L60	L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.42Å; L14-I18 PolarHBondContact O-N 3.04Å; L15-I18 WeakPolarHBondContact O-CB 3.39Å; L15-I18 PolarHBondContact O-N 3.43Å; L15-I18 VanDerWaalsContact O-N 3.08Å; I18-S20 PolarHBondContact O-N 3.46Å; I18-G21 PolarHBondContact O-N 3.12Å; I18-L26 HydrophobicContact CG2-CD1 4.2Å; I18-V29 HydrophobicContact CD1-CG1 3.92Å; I18-V29 HydrophobicContact CG1-CB 4.33Å; I18-V29 HydrophobicContact CG1-CG1 3.82Å; I18-V29 HydrophobicContact CG1-CG2 4.01Å; I18-F56 HydrophobicContact CD1-CE1 4.03Å; I18-F56 HydrophobicContact CD1-CZ 3.71Å; I18-L60 HydrophobicContact CD1-CD1 4.47Å; I18-L60 HydrophobicContact CD1-CD2 4.33Å; I18-L60 HydrophobicContact CG1-CD2 4.34Å
19	E	66.3	Low	65.7	Low	151 Å²	151	67.9 Å²	67.9	71%	0.706	40%	0.399	S	S	*	.	H	α-helix	trans	-67.2	-22.3	-179.7	-74.5	-170.8	173.6	0	0	113.5	L15 D16 G21	L15-E19 PolarHBondContact O-N 3.29Å; D16-E19 PolarHBondContact O-N 3.11Å; E19-G21 PolarHBondContact O-N 3.16Å; E19-G21 VanDerWaalsContact O-N 3.12Å
20	S	68.8	Low	66.1	Low	69 Å²	69	65.9 Å²	65.9	48%	0.483	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-12.8	176.5	73.3	0	0	0	0	114.7	D16 E17 I18 S22 S25	D16-S20 PolarHBondContact O-N 2.92Å; D16-S20 VanDerWaalsContact O-N 3.17Å; E17-S20 PolarHBondContact O-N 3.39Å; E17-S20 PolarHBondContact O-OG 3.47Å; I18-S20 PolarHBondContact O-N 3.46Å; S20-S22 PolarHBondContact O-N 3.21Å; S20-S25 WeakPolarHBondContact OG-CB 3.47Å; S20-S25 PolarHBondContact OG-OG 3.43Å
21	G	61.3	Low	66.3	Low	56 Å²	56	67.3 Å²	67.3	58%	0.577	39%	0.387	S	S	*	.			trans	66.2	-3.2	170.7	0	0	0	0	0	116.3	I18 E19	I18-G21 PolarHBondContact O-N 3.12Å; E19-G21 PolarHBondContact O-N 3.16Å; E19-G21 VanDerWaalsContact O-N 3.12Å
22	S	62.6	Low	66.4	Low	56 Å²	56	64.4 Å²	64.4	39%	0.392	37%	0.374	S	S	.	.			trans	-77.1	136	178.1	100.6	0	0	0	0	110.6	S20 G24 S25 L26	S20-S22 PolarHBondContact O-N 3.21Å; S22-G24 PolarHBondContact O-N 3.45Å; S22-S25 WeakPolarHBondContact O-CB 3.39Å; S22-S25 PolarHBondContact O-N 3.39Å; S22-S25 WeakPolarHBondContact OG-CB 3.44Å; S22-S25 PolarHBondContact OG-N 3.17Å; S22-S25 PolarHBondContact OG-OG 3.41Å; S22-L26 PolarHBondContact O-N 2.89Å; S22-L26 VanDerWaalsContact O-N 3.08Å
23	S	64.3	Low	66.3	Low	80 Å²	80	58.8 Å²	58.8	56%	0.559	34%	0.344	S	S	*	.	H	α-helix	trans	-56.7	-34.2	177.1	57.6	0	0	0	0	112.2	A27	S23-A27 PolarHBondContact O-N 3.46Å; S23-A27 VanDerWaalsContact O-N 3.15Å
24	G	66.2	Low	66.5	Low	47 Å²	47	60.4 Å²	60.4	49%	0.485	34%	0.343	S	S	.	.	H	α-helix	trans	-66.1	-39.2	173.6	0	0	0	0	0	113.5	S22 N28	S22-G24 PolarHBondContact O-N 3.45Å; G24-N28 PolarHBondContact O-N 3.41Å; G24-N28 VanDerWaalsContact O-N 3.13Å
25	S	65.6	Low	66.6	Low	27 Å²	27	64.7 Å²	64.7	19%	0.189	36%	0.362	C	S	.	.	H	α-helix	trans	-65.4	-43.5	176	-64.2	0	0	0	0	111.5	E17 S20 S22 A27 N28 V29	E17-S25 VanDerWaalsContact O-CB 3.26Å; E17-S25 WeakPolarHBondContact O-CB 3.39Å; S20-S25 WeakPolarHBondContact OG-CB 3.47Å; S20-S25 PolarHBondContact OG-OG 3.43Å; S22-S25 WeakPolarHBondContact O-CB 3.39Å; S22-S25 PolarHBondContact O-N 3.39Å; S22-S25 WeakPolarHBondContact OG-CB 3.44Å; S22-S25 PolarHBondContact OG-N 3.17Å; S22-S25 PolarHBondContact OG-OG 3.41Å; S25-A27 PolarHBondContact O-N 2.75Å; S25-N28 PolarHBondContact O-N 3.36Å; S25-V29 WeakPolarHBondContact O-CG2 3.46Å; S25-V29 PolarHBondContact O-N 3.34Å
26	L	64.2	Low	66.3	Low	19 Å²	19	61.5 Å²	61.5	10%	0.099	35%	0.348	C	S	.	.	H	α-helix	trans	-62.1	-43.9	179	-142.1	82.5	0	0	0	111.8	I18 S22 N28 V29 I30 L60 A64	I18-L26 HydrophobicContact CG2-CD1 4.2Å; S22-L26 PolarHBondContact O-N 2.89Å; S22-L26 VanDerWaalsContact O-N 3.08Å; L26-N28 VanDerWaalsContact C-N 3.29Å; L26-N28 PolarHBondContact O-N 3.26Å; L26-V29 PolarHBondContact O-N 3.41Å; L26-I30 WeakPolarHBondContact O-CG1 3.5Å; L26-I30 PolarHBondContact O-N 3.17Å; L26-L60 HydrophobicContact CD1-CD2 3.6Å; L26-L60 HydrophobicContact CD2-CD2 3.94Å; L26-L60 WeakPolarHBondContact CD2-O 3.48Å; L26-L60 HydrophobicContact CG-CD2 3.7Å; L26-A64 HydrophobicContact CD2-CB 3.94Å
27	A	67.4	Low	65.9	Low	57 Å²	57	60.2 Å²	60.2	47%	0.471	34%	0.339	S	S	.	.	H	α-helix	trans	-61.9	-36.6	175.5	0	0	0	0	0	112.4	S23 S25 R31	S23-A27 PolarHBondContact O-N 3.46Å; S23-A27 VanDerWaalsContact O-N 3.15Å; S25-A27 PolarHBondContact O-N 2.75Å; A27-R31 WeakPolarHBondContact O-CB 3.44Å; A27-R31 PolarHBondContact O-N 3.43Å
28	N	68.5	Low	65.7	Low	58 Å²	58	62.9 Å²	62.9	31%	0.31	35%	0.354	S	S	.	.	H	α-helix	trans	-70.8	-37.4	179	-137	9.4	0	0	0	112.2	G24 S25 L26 R31 K32	G24-N28 PolarHBondContact O-N 3.41Å; G24-N28 VanDerWaalsContact O-N 3.13Å; S25-N28 PolarHBondContact O-N 3.36Å; L26-N28 VanDerWaalsContact C-N 3.29Å; L26-N28 PolarHBondContact O-N 3.26Å; N28-R31 WeakPolarHBondContact O-CB 3.44Å; N28-R31 PolarHBondContact O-N 3.49Å; N28-R31 PolarHBondContact OD1-NE 3.49Å; N28-R31 VanDerWaalsContact OD1-NE 3.17Å; N28-R31 PolarHBondContact OD1-NH2 3.01Å; N28-K32 WeakPolarHBondContact O-CG 3.42Å; N28-K32 PolarHBondContact O-N 3.39Å
29	V	68.3	Low	65.5	Low	0 Å²	0	63.3 Å²	63.3	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-62.6	-47.9	173.1	167.5	0	0	0	0	110.7	L14 E17 I18 S25 L26 R31 K32 L33 L60	L14-V29 HydrophobicContact CD2-CB 4.27Å; L14-V29 HydrophobicContact CD2-CG1 4.07Å; L14-V29 HydrophobicContact CD2-CG2 4.06Å; E17-V29 HydrophobicContact CB-CG2 3.45Å; E17-V29 VanDerWaalsContact CB-CG2 3.45Å; E17-V29 HydrophobicContact CG-CG2 4.49Å; I18-V29 HydrophobicContact CD1-CG1 3.92Å; I18-V29 HydrophobicContact CG1-CB 4.33Å; I18-V29 HydrophobicContact CG1-CG1 3.82Å; I18-V29 HydrophobicContact CG1-CG2 4.01Å; S25-V29 WeakPolarHBondContact O-CG2 3.46Å; S25-V29 PolarHBondContact O-N 3.34Å; L26-V29 PolarHBondContact O-N 3.41Å; V29-R31 VanDerWaalsContact C-N 3.28Å; V29-R31 PolarHBondContact O-N 3.07Å; V29-K32 PolarHBondContact O-N 3.04Å; V29-L33 HydrophobicContact CG1-CD1 3.87Å; V29-L33 WeakPolarHBondContact O-CG 3.4Å; V29-L33 PolarHBondContact O-N 3.42Å; V29-L60 HydrophobicContact CG1-CD1 4.22Å
30	I	67.4	Low	65.2	Low	15 Å²	15	57.9 Å²	57.9	8%	0.077	34%	0.344	C	S	.	.	H	α-helix	trans	-57.3	-44	175.3	-67.2	164.1	0	0	0	110.4	L26 L33 R34 I57 L60 D61	L26-I30 WeakPolarHBondContact O-CG1 3.5Å; L26-I30 PolarHBondContact O-N 3.17Å; I30-L33 PolarHBondContact O-N 3.43Å; I30-R34 WeakPolarHBondContact O-CG 3.35Å; I30-R34 PolarHBondContact O-N 3.35Å; I30-I57 HydrophobicContact CG2-CG2 4.07Å; I30-L60 HydrophobicContact CD1-CB 3.96Å; I30-L60 HydrophobicContact CG1-CB 3.98Å; I30-L60 HydrophobicContact CG1-CD1 4.16Å; I30-D61 WeakPolarHBondContact CD1-OD1 3.44Å
31	R	69.3	Low	64.7	Low	125 Å²	125	62.4 Å²	62.4	47%	0.472	36%	0.356	S	S	.	.	H	α-helix	trans	-60.5	-48.1	176.8	-173.5	179	67	102.2	-7.1	112	A27 N28 V29 L33 R34 E35	A27-R31 WeakPolarHBondContact O-CB 3.44Å; A27-R31 PolarHBondContact O-N 3.43Å; N28-R31 WeakPolarHBondContact O-CB 3.44Å; N28-R31 PolarHBondContact O-N 3.49Å; N28-R31 PolarHBondContact OD1-NE 3.49Å; N28-R31 VanDerWaalsContact OD1-NE 3.17Å; N28-R31 PolarHBondContact OD1-NH2 3.01Å; V29-R31 VanDerWaalsContact C-N 3.28Å; V29-R31 PolarHBondContact O-N 3.07Å; R31-L33 VanDerWaalsContact C-N 3.34Å; R31-L33 PolarHBondContact O-N 2.94Å; R31-R34 PolarHBondContact O-N 3.47Å; R31-E35 WeakPolarHBondContact CG-OE1 3.5Å; R31-E35 IonicContact CZ-OE1 3.81Å; R31-E35 IonicContact NH1-OE1 2.64Å; R31-E35 PolarHBondContact NH1-OE1 3.17Å; R31-E35 WeakPolarHBondContact O-CB 3.44Å; R31-E35 WeakPolarHBondContact O-CG 3.33Å; R31-E35 PolarHBondContact O-N 3.23Å
32	K	66.7	Low	64.6	Low	70 Å²	70	67.6 Å²	67.6	30%	0.304	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-39.4	177.7	-76	176.4	-175.5	166.8	0	112.4	L14 E17 N28 V29 S36	L14-K32 HydrophobicContact CD2-CB 3.93Å; L14-K32 HydrophobicContact CD2-CD 3.65Å; L14-K32 HydrophobicContact CD2-CG 4.46Å; E17-K32 IonicContact OE1-NZ 3.83Å; E17-K32 PolarHBondContact OE1-NZ 3.44Å; E17-K32 IonicContact OE2-NZ 3.27Å; E17-K32 PolarHBondContact OE2-NZ 3.23Å; N28-K32 WeakPolarHBondContact O-CG 3.42Å; N28-K32 PolarHBondContact O-N 3.39Å; V29-K32 PolarHBondContact O-N 3.04Å; K32-S36 PolarHBondContact O-N 3.39Å
33	L	67.6	Low	64.4	Low	4 Å²	4	66.9 Å²	66.9	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-66.4	-43.9	176.5	-69.4	166.1	0	0	0	111.4	L9 F11 L14 V29 I30 R31 S36 E37 L53 F56 I57 L60	L9-L33 HydrophobicContact CD2-CD2 4.07Å; F11-L33 HydrophobicContact CE1-CD2 4.44Å; L14-L33 HydrophobicContact CD1-CD2 3.98Å; L14-L33 HydrophobicContact CD1-CG 4.47Å; V29-L33 HydrophobicContact CG1-CD1 3.87Å; V29-L33 WeakPolarHBondContact O-CG 3.4Å; V29-L33 PolarHBondContact O-N 3.42Å; I30-L33 PolarHBondContact O-N 3.43Å; R31-L33 VanDerWaalsContact C-N 3.34Å; R31-L33 PolarHBondContact O-N 2.94Å; L33-S36 WeakPolarHBondContact O-CB 3.28Å; L33-S36 PolarHBondContact O-N 2.97Å; L33-S36 PolarHBondContact O-OG 3.23Å; L33-E37 PolarHBondContact O-N 3.01Å; L33-L53 HydrophobicContact CB-CD1 4.15Å; L33-L53 HydrophobicContact CD2-CD1 3.59Å; L33-L53 HydrophobicContact CG-CD1 4.29Å; L33-F56 HydrophobicContact CD1-CD1 3.8Å; L33-F56 HydrophobicContact CD1-CE1 3.91Å; L33-I57 HydrophobicContact CB-CD1 4.26Å; L33-I57 HydrophobicContact CB-CG1 4.36Å; L33-I57 HydrophobicContact CD1-CG1 4.5Å; L33-L60 HydrophobicContact CD1-CD1 4.34Å
34	R	67.2	Low	63.8	Low	137 Å²	137	74.5 Å²	74.5	52%	0.517	38%	0.376	S	S	.	.	H	α-helix	trans	-65.1	-39.3	175.1	-75.9	-174.3	-177.7	-162.2	4.8	113	I30 R31 S36 E37 L38 I57 D61	I30-R34 WeakPolarHBondContact O-CG 3.35Å; I30-R34 PolarHBondContact O-N 3.35Å; R31-R34 PolarHBondContact O-N 3.47Å; R34-S36 VanDerWaalsContact C-N 3.27Å; R34-S36 PolarHBondContact O-N 3.31Å; R34-E37 PolarHBondContact O-N 3.24Å; R34-L38 WeakPolarHBondContact O-CB 3.49Å; R34-L38 PolarHBondContact O-N 3.03Å; R34-I57 HydrophobicContact CG-CD1 3.93Å; R34-D61 IonicContact NH2-OD2 3.81Å
35	E	66.7	Low	63.1	Low	101 Å²	101	78.1 Å²	78.1	47%	0.472	38%	0.383	S	S	.	.	H	α-helix	trans	-61.5	-39	174.1	-76.4	174.4	-169.1	0	0	110.9	R31 A39	R31-E35 WeakPolarHBondContact CG-OE1 3.5Å; R31-E35 IonicContact CZ-OE1 3.81Å; R31-E35 IonicContact NH1-OE1 2.64Å; R31-E35 PolarHBondContact NH1-OE1 3.17Å; R31-E35 WeakPolarHBondContact O-CB 3.44Å; R31-E35 WeakPolarHBondContact O-CG 3.33Å; R31-E35 PolarHBondContact O-N 3.23Å; E35-A39 VanDerWaalsContact O-CB 3.28Å; E35-A39 WeakPolarHBondContact O-CB 3.43Å; E35-A39 PolarHBondContact O-N 3.22Å
36	S	61.5	Low	62.1	Low	28 Å²	28	79.8 Å²	79.8	20%	0.196	41%	0.405	C	S	.	.	H	α-helix	trans	-66	-40.5	175.1	84.3	0	0	0	0	113.4	K32 L33 R34 A39 A40	K32-S36 PolarHBondContact O-N 3.39Å; L33-S36 WeakPolarHBondContact O-CB 3.28Å; L33-S36 PolarHBondContact O-N 2.97Å; L33-S36 PolarHBondContact O-OG 3.23Å; R34-S36 VanDerWaalsContact C-N 3.27Å; R34-S36 PolarHBondContact O-N 3.31Å; S36-A39 PolarHBondContact O-N 3.03Å; S36-A40 WeakPolarHBondContact O-CB 3.35Å; S36-A40 PolarHBondContact O-N 2.89Å
37	E	61.4	Low	61.5	Low	78 Å²	78	81.5 Å²	81.5	36%	0.364	43%	0.427	S	S	.	.	H	α-helix	trans	-64.6	-46.2	176.7	-166.9	-177.9	-170.5	0	0	110.9	L33 R34 A39 A40 F41 L53	L33-E37 PolarHBondContact O-N 3.01Å; R34-E37 PolarHBondContact O-N 3.24Å; E37-A39 VanDerWaalsContact C-N 3.32Å; E37-A39 PolarHBondContact O-N 3.29Å; E37-A40 PolarHBondContact O-N 3.45Å; E37-F41 WeakPolarHBondContact O-CB 3.49Å; E37-F41 PolarHBondContact O-N 2.92Å; E37-L53 HydrophobicContact CB-CD2 3.78Å; E37-L53 HydrophobicContact CG-CD2 4.08Å
38	L	63.5	Low	60.7	Low	103 Å²	103	85.1 Å²	85.1	54%	0.539	45%	0.445	S	S	.	.	H	α-helix	trans	-65.7	-35.7	178.5	-153.9	87	0	0	0	111.9	R34 K42	R34-L38 WeakPolarHBondContact O-CB 3.49Å; R34-L38 PolarHBondContact O-N 3.03Å; L38-K42 WeakPolarHBondContact O-CB 3.45Å; L38-K42 WeakPolarHBondContact O-CG 3.28Å; L38-K42 PolarHBondContact O-N 3.41Å
39	A	60.2	Low	59.9	Low	49 Å²	49	87.7 Å²	87.7	41%	0.405	46%	0.463	S	S	.	.	H	α-helix	trans	-68.1	-44.4	175.6	0	0	0	0	0	111.8	E35 S36 E37 F41 K42 A43	E35-A39 VanDerWaalsContact O-CB 3.28Å; E35-A39 WeakPolarHBondContact O-CB 3.43Å; E35-A39 PolarHBondContact O-N 3.22Å; S36-A39 PolarHBondContact O-N 3.03Å; E37-A39 VanDerWaalsContact C-N 3.32Å; E37-A39 PolarHBondContact O-N 3.29Å; A39-F41 VanDerWaalsContact C-N 3.32Å; A39-F41 PolarHBondContact O-N 3.3Å; A39-K42 PolarHBondContact O-N 2.96Å; A39-A43 WeakPolarHBondContact O-CB 3.47Å; A39-A43 PolarHBondContact O-N 2.98Å
40	A	59.8	Low	59.3	Low	36 Å²	36	89.1 Å²	89.1	30%	0.298	48%	0.479	S	S	.	.	H	α-helix	trans	-60.6	-42.6	174.3	0	0	0	0	0	111.5	S36 E37 A43 R44	S36-A40 WeakPolarHBondContact O-CB 3.35Å; S36-A40 PolarHBondContact O-N 2.89Å; E37-A40 PolarHBondContact O-N 3.45Å; A40-A43 PolarHBondContact O-N 3.33Å; A40-R44 PolarHBondContact O-N 3.37Å
41	F	58.5	Low	58.7	Low	165 Å²	165	95.4 Å²	95.4	72%	0.724	51%	0.508	S	S	*	.	H	α-helix	trans	-62	-45.2	175.6	-171.4	-96.5	0	0	0	112.4	E37 A39 A43 R44	E37-F41 WeakPolarHBondContact O-CB 3.49Å; E37-F41 PolarHBondContact O-N 2.92Å; A39-F41 VanDerWaalsContact C-N 3.32Å; A39-F41 PolarHBondContact O-N 3.3Å; F41-A43 VanDerWaalsContact C-N 3.3Å; F41-A43 PolarHBondContact O-N 2.96Å; F41-R44 PolarHBondContact O-N 2.97Å
42	K	60.1	Low	58.1	Low	165 Å²	165	96.5 Å²	96.5	72%	0.717	52%	0.522	S	S	*	.	H	α-helix	trans	-65	-30.6	177.2	-79.7	-178.9	179.6	178.2	0	113.3	L38 A39 R44	L38-K42 WeakPolarHBondContact O-CB 3.45Å; L38-K42 WeakPolarHBondContact O-CG 3.28Å; L38-K42 PolarHBondContact O-N 3.41Å; A39-K42 PolarHBondContact O-N 2.96Å; K42-R44 PolarHBondContact O-N 2.95Å
43	A	58	Low	57.9	Low	40 Å²	40	94.7 Å²	94.7	33%	0.331	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-6.1	177.9	0	0	0	0	0	113.9	I6 A39 A40 F41 I45	I6-A43 HydrophobicContact CD1-CB 3.74Å; I6-A43 HydrophobicContact CG1-CB 4.48Å; A39-A43 WeakPolarHBondContact O-CB 3.47Å; A39-A43 PolarHBondContact O-N 2.98Å; A40-A43 PolarHBondContact O-N 3.33Å; F41-A43 VanDerWaalsContact C-N 3.3Å; F41-A43 PolarHBondContact O-N 2.96Å; A43-I45 WeakPolarHBondContact O-CG1 3.47Å; A43-I45 PolarHBondContact O-N 3.37Å
44	R	52.1	Low	57.7	Low	240 Å²	240	96.7 Å²	96.7	91%	0.906	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	32.9	-173.6	-71.6	-171.1	176.5	-177.2	-0.1	113.3	A40 F41 K42	A40-R44 PolarHBondContact O-N 3.37Å; F41-R44 PolarHBondContact O-N 2.97Å; K42-R44 PolarHBondContact O-N 2.95Å
45	I	51.2	Low	57.7	Low	123 Å²	123	95.3 Å²	95.3	63%	0.631	54%	0.536	S	S	*	.			trans	-128.7	115.5	177.5	-62.8	165.5	0	0	0	108	A43	A43-I45 WeakPolarHBondContact O-CG1 3.47Å; A43-I45 PolarHBondContact O-N 3.37Å
46	G	44.6	Very low	57.8	Low	63 Å²	63	95 Å²	95	65%	0.649	53%	0.533	S	S	*	.			trans	102.1	117.2	179.9	0	0	0	0	0	112.2
47	G	51.6	Low	58.1	Low	54 Å²	54	94.1 Å²	94.1	56%	0.557	53%	0.526	S	S	*	.			cis	96.4	145.5	21.3	0	0	0	0	0	110	T49	G47-T49 PolarHBondContact O-N 3.05Å; G47-T49 PolarHBondContact O-OG1 3.31Å
48	P	50.1	Low	58.6	Low	133 Å²	133	93.1 Å²	93.1	86%	0.864	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	36.9	-156.6	32.6	-38.1	0	0	0	116.4	G50	P48-G50 VanDerWaalsContact C-N 3.32Å
49	T	52.6	Low	59.2	Low	112 Å²	112	92 Å²	92	69%	0.687	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-16.3	158.8	26.8	0	0	0	0	112.9	G47 E51 L52	G47-T49 PolarHBondContact O-N 3.05Å; G47-T49 PolarHBondContact O-OG1 3.31Å; T49-E51 PolarHBondContact O-N 2.65Å; T49-L52 PolarHBondContact O-N 3.44Å
50	G	54.6	Low	59.7	Low	31 Å²	31	90.2 Å²	90.2	32%	0.32	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-33.1	-178	0	0	0	0	0	115.1	P48 L52 L53 A54	P48-G50 VanDerWaalsContact C-N 3.32Å; G50-L52 PolarHBondContact O-N 2.94Å; G50-L53 PolarHBondContact O-N 3.17Å; G50-A54 WeakPolarHBondContact O-CB 3.38Å; G50-A54 PolarHBondContact O-N 2.88Å
51	E	55.1	Low	60.4	Low	147 Å²	147	91.8 Å²	91.8	69%	0.687	52%	0.519	S	S	*	.	H	α-helix	trans	-69.9	-35.7	-178.1	-166.6	171.3	-169.3	0	0	112.5	T49 N55	T49-E51 PolarHBondContact O-N 2.65Å; E51-N55 PolarHBondContact O-N 3.46Å; E51-N55 PolarHBondContact O-ND2 2.87Å
52	L	57.1	Low	61.3	Low	147 Å²	147	89.4 Å²	89.4	77%	0.77	51%	0.513	S	S	*	.	H	α-helix	trans	-70.1	-36.7	178	-145.8	112.8	0	0	0	111.5	T49 G50 F56	T49-L52 PolarHBondContact O-N 3.44Å; G50-L52 PolarHBondContact O-N 2.94Å; L52-F56 PolarHBondContact O-N 3.15Å; L52-F56 VanDerWaalsContact O-N 3.16Å
53	L	61.8	Low	61.9	Low	33 Å²	33	89.3 Å²	89.3	17%	0.173	51%	0.508	C	S	.	.	H	α-helix	trans	-69.3	-42.9	177.5	-169.8	68.5	0	0	0	111.7	L33 E37 G50 N55 F56 I57	L33-L53 HydrophobicContact CB-CD1 4.15Å; L33-L53 HydrophobicContact CD2-CD1 3.59Å; L33-L53 HydrophobicContact CG-CD1 4.29Å; E37-L53 HydrophobicContact CB-CD2 3.78Å; E37-L53 HydrophobicContact CG-CD2 4.08Å; G50-L53 PolarHBondContact O-N 3.17Å; L53-N55 VanDerWaalsContact C-N 3.34Å; L53-N55 PolarHBondContact O-N 3.05Å; L53-F56 PolarHBondContact O-N 3.46Å; L53-I57 HydrophobicContact CG-CD1 4.18Å; L53-I57 WeakPolarHBondContact O-CG1 3.48Å; L53-I57 PolarHBondContact O-N 3.45Å
54	A	63.3	Low	62.6	Low	46 Å²	46	89.1 Å²	89.1	38%	0.38	51%	0.507	S	S	.	.	H	α-helix	trans	-60.6	-43	176.7	0	0	0	0	0	111.9	G50 F56 I57 A58	G50-A54 WeakPolarHBondContact O-CB 3.38Å; G50-A54 PolarHBondContact O-N 2.88Å; A54-F56 VanDerWaalsContact C-N 3.33Å; A54-F56 PolarHBondContact O-N 3.44Å; A54-I57 PolarHBondContact O-N 3.46Å; A54-A58 PolarHBondContact O-N 3.39Å
55	N	68	Low	63.7	Low	108 Å²	108	81.6 Å²	81.6	58%	0.578	49%	0.49	S	S	*	.	H	α-helix	trans	-64.4	-37.1	176	-75.7	-20.8	0	0	0	112.5	E51 L53 A58 S59	E51-N55 PolarHBondContact O-N 3.46Å; E51-N55 PolarHBondContact O-ND2 2.87Å; L53-N55 VanDerWaalsContact C-N 3.34Å; L53-N55 PolarHBondContact O-N 3.05Å; N55-A58 PolarHBondContact O-N 3.32Å; N55-S59 PolarHBondContact O-N 3.07Å; N55-S59 VanDerWaalsContact O-N 3.11Å
56	F	69.3	Low	65	Low	94 Å²	94	81.4 Å²	81.4	41%	0.412	49%	0.487	S	S	.	.	H	α-helix	trans	-67.8	-42.5	176.3	-171.1	-108.2	0	0	0	112.2	I18 L33 L52 L53 A54 A58 S59 L60	I18-F56 HydrophobicContact CD1-CE1 4.03Å; I18-F56 HydrophobicContact CD1-CZ 3.71Å; L33-F56 HydrophobicContact CD1-CD1 3.8Å; L33-F56 HydrophobicContact CD1-CE1 3.91Å; L52-F56 PolarHBondContact O-N 3.15Å; L52-F56 VanDerWaalsContact O-N 3.16Å; L53-F56 PolarHBondContact O-N 3.46Å; A54-F56 VanDerWaalsContact C-N 3.33Å; A54-F56 PolarHBondContact O-N 3.44Å; F56-A58 VanDerWaalsContact C-N 3.34Å; F56-A58 PolarHBondContact O-N 3.39Å; F56-S59 PolarHBondContact O-N 3.38Å; F56-L60 HydrophobicContact CD1-CD1 3.65Å; F56-L60 HydrophobicContact CE1-CD1 3.31Å; F56-L60 HydrophobicContact CE1-CG 4.2Å; F56-L60 HydrophobicContact CZ-CD1 3.91Å; F56-L60 HydrophobicContact CZ-CG 4.38Å; F56-L60 PolarHBondContact O-N 2.79Å
57	I	66.9	Low	66.5	Low	10 Å²	10	83 Å²	83	5%	0.051	48%	0.477	C	S	.	.	H	α-helix	trans	-60.2	-44.5	174.9	-69.5	167.3	0	0	0	110.6	I30 L33 R34 L53 A54 S59 L60 D61	I30-I57 HydrophobicContact CG2-CG2 4.07Å; L33-I57 HydrophobicContact CB-CD1 4.26Å; L33-I57 HydrophobicContact CB-CG1 4.36Å; L33-I57 HydrophobicContact CD1-CG1 4.5Å; R34-I57 HydrophobicContact CG-CD1 3.93Å; L53-I57 HydrophobicContact CG-CD1 4.18Å; L53-I57 WeakPolarHBondContact O-CG1 3.48Å; L53-I57 PolarHBondContact O-N 3.45Å; A54-I57 PolarHBondContact O-N 3.46Å; I57-S59 VanDerWaalsContact C-N 3.34Å; I57-S59 PolarHBondContact O-N 3.4Å; I57-L60 PolarHBondContact O-N 3.48Å; I57-D61 PolarHBondContact O-N 3.15Å
58	A	72.9	Confident	67.5	Low	57 Å²	57	85.3 Å²	85.3	47%	0.471	48%	0.477	S	S	.	.	H	α-helix	trans	-62.2	-39.2	178.3	0	0	0	0	0	112.8	A54 N55 F56 D61 L62	A54-A58 PolarHBondContact O-N 3.39Å; N55-A58 PolarHBondContact O-N 3.32Å; F56-A58 VanDerWaalsContact C-N 3.34Å; F56-A58 PolarHBondContact O-N 3.39Å; A58-D61 PolarHBondContact O-N 3.17Å; A58-L62 PolarHBondContact O-N 3.25Å
59	S	75.2	Confident	68.9	Low	79 Å²	79	81.7 Å²	81.7	55%	0.552	46%	0.458	S	S	*	.	H	α-helix	trans	-67.4	-38.7	176.6	-166.9	0	0	0	0	112.2	N55 F56 I57 L62 R63	N55-S59 PolarHBondContact O-N 3.07Å; N55-S59 VanDerWaalsContact O-N 3.11Å; F56-S59 PolarHBondContact O-N 3.38Å; I57-S59 VanDerWaalsContact C-N 3.34Å; I57-S59 PolarHBondContact O-N 3.4Å; S59-L62 PolarHBondContact O-N 3.07Å; S59-R63 PolarHBondContact O-N 3Å; S59-R63 VanDerWaalsContact O-N 3.12Å
60	L	69.9	Low	70	Confident	12 Å²	12	82 Å²	82	6%	0.063	45%	0.452	C	S	.	.	H	α-helix	trans	-66.1	-42.4	173.7	-79.5	165.6	0	0	0	112.3	I18 L26 V29 I30 L33 F56 I57 L62 R63 A64	I18-L60 HydrophobicContact CD1-CD1 4.47Å; I18-L60 HydrophobicContact CD1-CD2 4.33Å; I18-L60 HydrophobicContact CG1-CD2 4.34Å; L26-L60 HydrophobicContact CD1-CD2 3.6Å; L26-L60 HydrophobicContact CD2-CD2 3.94Å; L26-L60 WeakPolarHBondContact CD2-O 3.48Å; L26-L60 HydrophobicContact CG-CD2 3.7Å; V29-L60 HydrophobicContact CG1-CD1 4.22Å; I30-L60 HydrophobicContact CD1-CB 3.96Å; I30-L60 HydrophobicContact CG1-CB 3.98Å; I30-L60 HydrophobicContact CG1-CD1 4.16Å; L33-L60 HydrophobicContact CD1-CD1 4.34Å; F56-L60 HydrophobicContact CD1-CD1 3.65Å; F56-L60 HydrophobicContact CE1-CD1 3.31Å; F56-L60 HydrophobicContact CE1-CG 4.2Å; F56-L60 HydrophobicContact CZ-CD1 3.91Å; F56-L60 HydrophobicContact CZ-CG 4.38Å; F56-L60 PolarHBondContact O-N 2.79Å; I57-L60 PolarHBondContact O-N 3.48Å; L60-L62 VanDerWaalsContact C-N 3.31Å; L60-L62 PolarHBondContact O-N 3.33Å; L60-R63 PolarHBondContact O-N 3.08Å; L60-A64 PolarHBondContact O-N 3.21Å
61	D	75.5	Confident	70.6	Confident	69 Å²	69	84.9 Å²	84.9	37%	0.369	46%	0.459	S	S	.	.	H	α-helix	trans	-60.6	-41	175.4	-83.7	-30.8	0	0	0	111.1	I30 R34 I57 A58 R63 A64 S65	I30-D61 WeakPolarHBondContact CD1-OD1 3.44Å; R34-D61 IonicContact NH2-OD2 3.81Å; I57-D61 PolarHBondContact O-N 3.15Å; A58-D61 PolarHBondContact O-N 3.17Å; D61-R63 VanDerWaalsContact C-N 3.35Å; D61-R63 PolarHBondContact O-N 3.43Å; D61-A64 PolarHBondContact O-N 3.25Å; D61-S65 PolarHBondContact O-N 3.44Å
62	L	77.3	Confident	71.4	Confident	114 Å²	114	84.8 Å²	84.8	60%	0.597	46%	0.458	S	S	*	.	H	α-helix	trans	-61.1	-44.6	176	-154.4	100.7	0	0	0	111.3	A58 S59 L60 S65 E66	A58-L62 PolarHBondContact O-N 3.25Å; S59-L62 PolarHBondContact O-N 3.07Å; L60-L62 VanDerWaalsContact C-N 3.31Å; L60-L62 PolarHBondContact O-N 3.33Å; L62-S65 WeakPolarHBondContact O-CB 3.49Å; L62-S65 PolarHBondContact O-N 3.31Å; L62-E66 PolarHBondContact O-N 3.04Å
63	R	73.5	Confident	72.3	Confident	163 Å²	163	85.3 Å²	85.3	62%	0.615	45%	0.454	S	S	*	.	H	α-helix	trans	-69	-36.7	-179.5	-158.5	166.8	-151.5	-179.4	3.7	113	S59 L60 D61 S65 E66 H67	S59-R63 PolarHBondContact O-N 3Å; S59-R63 VanDerWaalsContact O-N 3.12Å; L60-R63 PolarHBondContact O-N 3.08Å; D61-R63 VanDerWaalsContact C-N 3.35Å; D61-R63 PolarHBondContact O-N 3.43Å; R63-S65 VanDerWaalsContact C-N 3.31Å; R63-E66 PolarHBondContact O-N 3.25Å; R63-H67 PolarHBondContact O-N 3.01Å
64	A	72.3	Confident	72.6	Confident	37 Å²	37	87.6 Å²	87.6	31%	0.306	47%	0.47	S	S	.	.	H	α-helix	trans	-61.1	-42.8	171.6	0	0	0	0	0	111.3	L26 L60 D61 E66 H67 N68	L26-A64 HydrophobicContact CD2-CB 3.94Å; L60-A64 PolarHBondContact O-N 3.21Å; D61-A64 PolarHBondContact O-N 3.25Å; A64-E66 PolarHBondContact O-N 3.12Å; A64-H67 PolarHBondContact O-N 3.47Å; A64-N68 PolarHBondContact O-N 2.91Å
65	S	75.5	Confident	72.7	Confident	81 Å²	81	89.4 Å²	89.4	57%	0.566	48%	0.479	S	S	*	.	H	α-helix	trans	-62.4	-40.7	177.3	-174.8	0	0	0	0	112.4	D61 L62 R63 N68 A69	D61-S65 PolarHBondContact O-N 3.44Å; L62-S65 WeakPolarHBondContact O-CB 3.49Å; L62-S65 PolarHBondContact O-N 3.31Å; R63-S65 VanDerWaalsContact C-N 3.31Å; S65-N68 PolarHBondContact O-N 3.3Å; S65-A69 PolarHBondContact O-N 3.39Å; S65-A69 VanDerWaalsContact O-N 3.17Å
66	E	77.1	Confident	72.9	Confident	119 Å²	119	88.5 Å²	88.5	56%	0.556	48%	0.481	S	S	*	.	H	α-helix	trans	-62	-46.1	177.8	-74.6	178	164	0	0	111.9	L62 R63 A64 N68 A69 E70	L62-E66 PolarHBondContact O-N 3.04Å; R63-E66 PolarHBondContact O-N 3.25Å; A64-E66 PolarHBondContact O-N 3.12Å; E66-N68 PolarHBondContact O-N 2.84Å; E66-A69 PolarHBondContact O-N 2.93Å; E66-E70 PolarHBondContact O-N 3.17Å
67	H	76.2	Confident	73	Confident	97 Å²	97	92.8 Å²	92.8	45%	0.449	50%	0.495	S	S	.	.	H	α-helix	trans	-67.2	-36.1	177.8	-94.7	-48.7	0	0	0	113.4	R63 A64 A69 E70 I71	R63-H67 PolarHBondContact O-N 3.01Å; A64-H67 PolarHBondContact O-N 3.47Å; H67-A69 VanDerWaalsContact C-N 3.28Å; H67-A69 PolarHBondContact O-N 3.22Å; H67-E70 IonicContact CE1-OE2 3.04Å; H67-E70 IonicContact ND1-OE2 3.75Å; H67-E70 PolarHBondContact ND1-OE2 3.13Å; H67-E70 PolarHBondContact O-N 2.91Å; H67-I71 WeakPolarHBondContact O-CG1 3.42Å; H67-I71 PolarHBondContact O-N 3.3Å; H67-I71 VanDerWaalsContact O-N 3.07Å
68	N	74.1	Confident	73	Confident	103 Å²	103	97.2 Å²	97.2	55%	0.551	52%	0.516	S	S	*	.	H	α-helix	trans	-64.7	-37.6	178.1	-135.1	43.7	0	0	0	111.3	A64 S65 E66 I71 E72	A64-N68 PolarHBondContact O-N 2.91Å; S65-N68 PolarHBondContact O-N 3.3Å; E66-N68 PolarHBondContact O-N 2.84Å; N68-I71 PolarHBondContact O-N 3.36Å; N68-E72 WeakPolarHBondContact O-CB 3.42Å; N68-E72 PolarHBondContact O-N 3.23Å
69	A	78.6	Confident	73	Confident	56 Å²	56	102 Å²	102	46%	0.463	52%	0.523	S	S	.	.	H	α-helix	trans	-66.2	-36.8	174.4	0	0	0	0	0	112.6	S65 E66 H67 K73	S65-A69 PolarHBondContact O-N 3.39Å; S65-A69 VanDerWaalsContact O-N 3.17Å; E66-A69 PolarHBondContact O-N 2.93Å; H67-A69 VanDerWaalsContact C-N 3.28Å; H67-A69 PolarHBondContact O-N 3.22Å; A69-K73 WeakPolarHBondContact O-CB 3.5Å; A69-K73 PolarHBondContact O-N 3.2Å
70	E	75	Confident	73.1	Confident	120 Å²	120	103 Å²	103	56%	0.561	52%	0.519	S	S	*	.	H	α-helix	trans	-63.6	-43.5	173.3	-94.3	-171.5	156.6	0	0	112.8	E66 H67 K73 T74	E66-E70 PolarHBondContact O-N 3.17Å; H67-E70 IonicContact CE1-OE2 3.04Å; H67-E70 IonicContact ND1-OE2 3.75Å; H67-E70 PolarHBondContact ND1-OE2 3.13Å; H67-E70 PolarHBondContact O-N 2.91Å; E70-K73 PolarHBondContact O-N 3.17Å; E70-T74 PolarHBondContact O-N 3.08Å; E70-T74 PolarHBondContact O-OG1 2.98Å
71	I	69	Low	73.5	Confident	91 Å²	91	105.5 Å²	105.5	47%	0.467	54%	0.537	S	S	.	.	H	α-helix	trans	-63	-45.5	177.7	-66.5	168.9	0	0	0	110.1	H67 N68 K73 T74 C75	H67-I71 WeakPolarHBondContact O-CG1 3.42Å; H67-I71 PolarHBondContact O-N 3.3Å; H67-I71 VanDerWaalsContact O-N 3.07Å; N68-I71 PolarHBondContact O-N 3.36Å; I71-K73 VanDerWaalsContact C-N 3.31Å; I71-K73 PolarHBondContact O-N 3.13Å; I71-T74 PolarHBondContact O-N 2.98Å; I71-T74 VanDerWaalsContact O-N 3.15Å; I71-C75 PolarHBondContact O-N 3.38Å
72	E	71.3	Confident	73.5	Confident	144 Å²	144	109.6 Å²	109.6	67%	0.673	55%	0.552	S	S	*	*	H	α-helix	trans	-62.1	-40.3	179	-161.3	172.3	-152.5	0	0	111.6	N68 T74 C75 S76	N68-E72 WeakPolarHBondContact O-CB 3.42Å; N68-E72 PolarHBondContact O-N 3.23Å; E72-T74 VanDerWaalsContact C-N 3.35Å; E72-T74 PolarHBondContact O-N 3.28Å; E72-C75 PolarHBondContact O-N 3.42Å; E72-S76 WeakPolarHBondContact O-CB 3.08Å; E72-S76 PolarHBondContact O-N 3.39Å; E72-S76 PolarHBondContact O-OG 3.42Å
73	K	75.3	Confident	73.7	Confident	159 Å²	159	106 Å²	106	69%	0.691	53%	0.534	S	S	*	.	H	α-helix	trans	-62.2	-42.2	174.4	-154	177.4	-171.4	-179.8	0	111.7	A69 E70 I71 S76 Y77	A69-K73 WeakPolarHBondContact O-CB 3.5Å; A69-K73 PolarHBondContact O-N 3.2Å; E70-K73 PolarHBondContact O-N 3.17Å; I71-K73 VanDerWaalsContact C-N 3.31Å; I71-K73 PolarHBondContact O-N 3.13Å; K73-S76 PolarHBondContact O-N 3.29Å; K73-S76 PolarHBondContact O-OG 3.01Å; K73-Y77 WeakPolarHBondContact O-CB 3.26Å; K73-Y77 PolarHBondContact O-N 2.91Å; K73-Y77 VanDerWaalsContact O-N 3.07Å
74	T	68.1	Low	74.2	Confident	80 Å²	80	101.6 Å²	101.6	49%	0.491	52%	0.523	S	S	.	.	H	α-helix	trans	-68.6	-43.4	179.3	-48.3	0	0	0	0	111.9	E70 I71 E72 Y77 H78	E70-T74 PolarHBondContact O-N 3.08Å; E70-T74 PolarHBondContact O-OG1 2.98Å; I71-T74 PolarHBondContact O-N 2.98Å; I71-T74 VanDerWaalsContact O-N 3.15Å; E72-T74 VanDerWaalsContact C-N 3.35Å; E72-T74 PolarHBondContact O-N 3.28Å; T74-Y77 PolarHBondContact O-N 2.9Å; T74-H78 PolarHBondContact O-CD2 3.03Å; T74-H78 PolarHBondContact O-N 2.74Å
75	C	66.2	Low	74.7	Confident	84 Å²	84	103.1 Å²	103.1	57%	0.568	53%	0.532	S	S	*	.	H	α-helix	trans	-64.8	-38.1	174.6	-72.1	0	0	0	0	112.3	I71 E72 Y77 H78 Y79	I71-C75 PolarHBondContact O-N 3.38Å; E72-C75 PolarHBondContact O-N 3.42Å; C75-Y77 VanDerWaalsContact C-N 3.3Å; C75-Y77 PolarHBondContact O-N 2.96Å; C75-H78 PolarHBondContact O-N 2.75Å; C75-Y79 PolarHBondContact O-N 2.75Å
76	S	71.9	Confident	75	Confident	89 Å²	89	103 Å²	103	62%	0.622	53%	0.527	S	S	*	.	H	α-helix	trans	-64.6	-34.7	174.8	78.8	0	0	0	0	112.4	E72 K73	E72-S76 WeakPolarHBondContact O-CB 3.08Å; E72-S76 PolarHBondContact O-N 3.39Å; E72-S76 PolarHBondContact O-OG 3.42Å; K73-S76 PolarHBondContact O-N 3.29Å; K73-S76 PolarHBondContact O-OG 3.01Å
77	Y	71.9	Confident	75.4	Confident	184 Å²	184	105.7 Å²	105.7	72%	0.722	53%	0.532	S	S	*	.	H	α-helix	trans	-75	-30.9	-179.4	-167.7	-98.7	0	0	0	112.9	K73 T74 C75	K73-Y77 WeakPolarHBondContact O-CB 3.26Å; K73-Y77 PolarHBondContact O-N 2.91Å; K73-Y77 VanDerWaalsContact O-N 3.07Å; T74-Y77 PolarHBondContact O-N 2.9Å; C75-Y77 VanDerWaalsContact C-N 3.3Å; C75-Y77 PolarHBondContact O-N 2.96Å
78	H	67.5	Low	76	Confident	104 Å²	104	107.3 Å²	107.3	48%	0.481	54%	0.54	S	S	.	.	H	α-helix	trans	-106.1	-2.3	-173.8	-70.4	-66.7	0	0	0	116.3	T74 C75 Q80 S81	T74-H78 PolarHBondContact O-CD2 3.03Å; T74-H78 PolarHBondContact O-N 2.74Å; C75-H78 PolarHBondContact O-N 2.75Å; H78-Q80 PolarHBondContact O-N 3.22Å; H78-S81 PolarHBondContact O-N 3.17Å
79	Y	72.4	Confident	76.6	Confident	157 Å²	157	108.3 Å²	108.3	62%	0.616	55%	0.545	S	S	*	.	H	α-helix	trans	-57.8	-43.3	179.5	163.7	-97.8	0	0	0	113.3	C75 S81 F82 V83	C75-Y79 PolarHBondContact O-N 2.75Å; Y79-S81 PolarHBondContact O-N 2.7Å; Y79-F82 PolarHBondContact O-N 3.48Å; Y79-V83 HydrophobicContact CD2-CG2 4.2Å; Y79-V83 HydrophobicContact CE1-CG2 4.05Å; Y79-V83 HydrophobicContact CE2-CG2 3.66Å; Y79-V83 PolarHBondContact O-N 3.36Å
80	Q	77	Confident	77	Confident	100 Å²	100	110.3 Å²	110.3	47%	0.467	55%	0.547	S	S	.	.	H	α-helix	trans	-64.4	-41	-175.9	-169.8	59.2	43	0	0	111.8	H78 F82 V83 D84	H78-Q80 PolarHBondContact O-N 3.22Å; Q80-F82 VanDerWaalsContact C-N 3.26Å; Q80-F82 PolarHBondContact O-N 3.3Å; Q80-V83 PolarHBondContact O-N 3.25Å; Q80-D84 PolarHBondContact NE2-OD1 3.31Å; Q80-D84 VanDerWaalsContact O-CG 3.22Å; Q80-D84 PolarHBondContact O-N 3.43Å
81	S	77.1	Confident	77.7	Confident	64 Å²	64	108.7 Å²	108.7	45%	0.448	54%	0.543	S	S	.	.	H	α-helix	trans	-59.5	-38.6	179.5	-27.9	0	0	0	0	111.8	H78 Y79 S85	H78-S81 PolarHBondContact O-N 3.17Å; Y79-S81 PolarHBondContact O-N 2.7Å; S81-S85 PolarHBondContact O-N 3.06Å; S81-S85 VanDerWaalsContact O-N 3.16Å; S81-S85 PolarHBondContact O-OG 3.1Å
82	F	76.5	Confident	78.6	Confident	156 Å²	156	109.7 Å²	109.7	68%	0.684	55%	0.548	S	S	*	.	H	α-helix	trans	-72.2	-40.5	-179.8	-167.6	-90.1	0	0	0	112.4	Y79 Q80 D84 S85 T86	Y79-F82 PolarHBondContact O-N 3.48Å; Q80-F82 VanDerWaalsContact C-N 3.26Å; Q80-F82 PolarHBondContact O-N 3.3Å; F82-D84 VanDerWaalsContact C-N 3.32Å; F82-S85 PolarHBondContact O-N 3.18Å; F82-T86 PolarHBondContact O-N 3.01Å; F82-T86 PolarHBondContact O-OG1 3.2Å
83	V	81.2	Confident	79.4	Confident	37 Å²	37	108.7 Å²	108.7	22%	0.224	54%	0.543	C	S	.	.	H	α-helix	trans	-62.9	-41.7	175.8	174.1	0	0	0	0	110.8	Y79 Q80 T86 R87	Y79-V83 HydrophobicContact CD2-CG2 4.2Å; Y79-V83 HydrophobicContact CE1-CG2 4.05Å; Y79-V83 HydrophobicContact CE2-CG2 3.66Å; Y79-V83 PolarHBondContact O-N 3.36Å; Q80-V83 PolarHBondContact O-N 3.25Å; V83-T86 PolarHBondContact O-N 2.95Å; V83-R87 PolarHBondContact O-N 3.35Å
84	D	84.5	Confident	80.1	Confident	71 Å²	71	106.6 Å²	106.6	38%	0.38	54%	0.536	S	S	.	.	H	α-helix	trans	-65	-45.3	179.9	-64.8	-22.2	0	0	0	111.2	Q80 F82 T86 R87 E88	Q80-D84 PolarHBondContact NE2-OD1 3.31Å; Q80-D84 VanDerWaalsContact O-CG 3.22Å; Q80-D84 PolarHBondContact O-N 3.43Å; F82-D84 VanDerWaalsContact C-N 3.32Å; D84-T86 VanDerWaalsContact C-N 3.31Å; D84-T86 PolarHBondContact O-N 3.49Å; D84-R87 PolarHBondContact O-N 2.76Å; D84-E88 PolarHBondContact O-N 3.16Å
85	S	82.1	Confident	81.1	Confident	69 Å²	69	106.8 Å²	106.8	48%	0.483	53%	0.534	S	S	.	.	H	α-helix	trans	-62.5	-35.2	174.7	-59.8	0	0	0	0	113.3	S81 F82 E88 L89	S81-S85 PolarHBondContact O-N 3.06Å; S81-S85 VanDerWaalsContact O-N 3.16Å; S81-S85 PolarHBondContact O-OG 3.1Å; F82-S85 PolarHBondContact O-N 3.18Å; S85-E88 PolarHBondContact O-N 3.28Å; S85-L89 PolarHBondContact O-N 3.04Å
86	T	82.1	Confident	82.3	Confident	78 Å²	78	105.3 Å²	105.3	48%	0.479	53%	0.528	S	S	.	.	H	α-helix	trans	-69.2	-37.9	177.6	-48	0	0	0	0	111.3	F82 V83 D84 L90	F82-T86 PolarHBondContact O-N 3.01Å; F82-T86 PolarHBondContact O-OG1 3.2Å; V83-T86 PolarHBondContact O-N 2.95Å; D84-T86 VanDerWaalsContact C-N 3.31Å; D84-T86 PolarHBondContact O-N 3.49Å; T86-L90 PolarHBondContact O-N 3.22Å
87	R	85.5	Confident	83.2	Confident	176 Å²	176	106.9 Å²	106.9	66%	0.664	53%	0.525	S	S	*	.	H	α-helix	trans	-65.3	-44.5	173.1	-92.3	-177.9	175.8	158.1	-0.8	112.1	V83 D84 L89 L90 D91	V83-R87 PolarHBondContact O-N 3.35Å; D84-R87 PolarHBondContact O-N 2.76Å; R87-L89 VanDerWaalsContact C-N 3.31Å; R87-L89 PolarHBondContact O-N 3.44Å; R87-L90 PolarHBondContact O-N 2.94Å; R87-D91 PolarHBondContact O-N 3.29Å
88	E	87.9	Confident	84.1	Confident	131 Å²	131	104.5 Å²	104.5	61%	0.612	52%	0.519	S	S	*	.	H	α-helix	trans	-60.6	-40.9	176.6	-78.6	-175.5	164.6	0	0	111.8	D84 S85 L90 D91 I92	D84-E88 PolarHBondContact O-N 3.16Å; S85-E88 PolarHBondContact O-N 3.28Å; E88-L90 VanDerWaalsContact C-N 3.33Å; E88-L90 PolarHBondContact O-N 2.98Å; E88-D91 PolarHBondContact O-N 3.06Å; E88-I92 VanDerWaalsContact O-CG1 3.28Å; E88-I92 WeakPolarHBondContact O-CG1 3.28Å; E88-I92 PolarHBondContact O-N 3.44Å
89	L	87	Confident	85.2	Confident	125 Å²	125	104.7 Å²	104.7	65%	0.654	52%	0.523	S	S	*	.	H	α-helix	trans	-66	-37.2	179.4	-143.4	117.9	0	0	0	112.3	S85 R87 Q93	S85-L89 PolarHBondContact O-N 3.04Å; R87-L89 VanDerWaalsContact C-N 3.31Å; R87-L89 PolarHBondContact O-N 3.44Å; L89-Q93 PolarHBondContact O-N 2.86Å
90	L	87.1	Confident	86.1	Confident	97 Å²	97	102.7 Å²	102.7	51%	0.508	52%	0.519	S	S	.	.	H	α-helix	trans	-68.2	-39.9	175.5	-163.1	76.2	0	0	0	111.5	T86 R87 E88 Q93 Q94	T86-L90 PolarHBondContact O-N 3.22Å; R87-L90 PolarHBondContact O-N 2.94Å; E88-L90 VanDerWaalsContact C-N 3.33Å; E88-L90 PolarHBondContact O-N 2.98Å; L90-Q93 PolarHBondContact O-N 2.9Å; L90-Q94 WeakPolarHBondContact O-CG 3.34Å; L90-Q94 PolarHBondContact O-N 3.47Å
91	D	89.5	Confident	86.9	Confident	87 Å²	87	102.2 Å²	102.2	47%	0.465	52%	0.52	S	S	.	.	H	α-helix	trans	-65.7	-42.9	176.3	-166.9	67	0	0	0	111.4	R87 E88 Q93 Q94 N95	R87-D91 PolarHBondContact O-N 3.29Å; E88-D91 PolarHBondContact O-N 3.06Å; D91-Q93 VanDerWaalsContact C-N 3.31Å; D91-Q93 PolarHBondContact O-N 3.35Å; D91-Q94 PolarHBondContact O-N 3.29Å; D91-N95 WeakPolarHBondContact O-CB 3.35Å; D91-N95 PolarHBondContact O-N 2.86Å; D91-N95 PolarHBondContact O-ND2 3.07Å; D91-N95 PolarHBondContact OD2-ND2 3.06Å
92	I	89.1	Confident	87.7	Confident	111 Å²	111	103.6 Å²	103.6	57%	0.569	52%	0.522	S	S	*	.	H	α-helix	trans	-60.4	-41	174.3	-69.7	166.2	0	0	0	111.1	E88 N95 A96	E88-I92 VanDerWaalsContact O-CG1 3.28Å; E88-I92 WeakPolarHBondContact O-CG1 3.28Å; E88-I92 PolarHBondContact O-N 3.44Å; I92-N95 PolarHBondContact O-N 3.39Å; I92-A96 WeakPolarHBondContact O-CB 3.45Å; I92-A96 PolarHBondContact O-N 3.38Å
93	Q	87.4	Confident	88.4	Confident	124 Å²	124	101.1 Å²	101.1	58%	0.579	52%	0.515	S	S	*	.	H	α-helix	trans	-64.1	-44.8	178	-170.6	178.9	-2.6	0	0	111.6	L89 L90 D91 A96 E97	L89-Q93 PolarHBondContact O-N 2.86Å; L90-Q93 PolarHBondContact O-N 2.9Å; D91-Q93 VanDerWaalsContact C-N 3.31Å; D91-Q93 PolarHBondContact O-N 3.35Å; Q93-A96 PolarHBondContact O-N 2.93Å; Q93-E97 PolarHBondContact O-N 3.29Å
94	Q	89.1	Confident	88.9	Confident	114 Å²	114	104.8 Å²	104.8	53%	0.533	53%	0.53	S	S	.	.	H	α-helix	trans	-63.9	-40.7	175.8	-71.5	-179.6	1.8	0	0	112	L90 D91 E97 K98	L90-Q94 WeakPolarHBondContact O-CG 3.34Å; L90-Q94 PolarHBondContact O-N 3.47Å; D91-Q94 PolarHBondContact O-N 3.29Å; Q94-E97 PolarHBondContact O-N 3.45Å; Q94-K98 WeakPolarHBondContact O-CB 3.34Å; Q94-K98 PolarHBondContact O-N 2.92Å
95	N	90.8	Very high	89.3	Confident	84 Å²	84	104.3 Å²	104.3	45%	0.449	54%	0.536	S	S	.	.	H	α-helix	trans	-66.4	-37	177.2	-71.4	-34.5	0	0	0	112.1	D91 I92 K98 L99	D91-N95 WeakPolarHBondContact O-CB 3.35Å; D91-N95 PolarHBondContact O-N 2.86Å; D91-N95 PolarHBondContact O-ND2 3.07Å; D91-N95 PolarHBondContact OD2-ND2 3.06Å; I92-N95 PolarHBondContact O-N 3.39Å; N95-K98 PolarHBondContact O-N 3.5Å; N95-L99 WeakPolarHBondContact O-CB 3.43Å; N95-L99 PolarHBondContact O-N 2.91Å
96	A	90	Very high	89.8	Confident	54 Å²	54	106.1 Å²	106.1	45%	0.446	54%	0.54	S	S	.	.	H	α-helix	trans	-66.6	-42.8	175.4	0	0	0	0	0	111.9	I92 Q93 L99 E100	I92-A96 WeakPolarHBondContact O-CB 3.45Å; I92-A96 PolarHBondContact O-N 3.38Å; Q93-A96 PolarHBondContact O-N 2.93Å; A96-L99 PolarHBondContact O-N 3.34Å; A96-E100 PolarHBondContact O-N 3.3Å
97	E	90.6	Very high	90.4	Very high	122 Å²	122	107.1 Å²	107.1	57%	0.57	54%	0.542	S	S	*	.	H	α-helix	trans	-65.9	-38.9	177.1	-164.7	175.1	-162.2	0	0	111.3	Q93 Q94 E100 N101	Q93-E97 PolarHBondContact O-N 3.29Å; Q94-E97 PolarHBondContact O-N 3.45Å; E97-E100 PolarHBondContact O-N 2.88Å; E97-N101 PolarHBondContact O-N 3.35Å; E97-N101 VanDerWaalsContact O-N 3.1Å; E97-N101 PolarHBondContact O-ND2 3.36Å
98	K	91.2	Very high	90.8	Very high	134 Å²	134	103 Å²	103	58%	0.583	54%	0.536	S	S	*	.	H	α-helix	trans	-63.7	-44.8	172.8	-170	178.8	178.1	-175	0	111.9	Q94 N95 E100 N101 D102	Q94-K98 WeakPolarHBondContact O-CB 3.34Å; Q94-K98 PolarHBondContact O-N 2.92Å; N95-K98 PolarHBondContact O-N 3.5Å; K98-E100 VanDerWaalsContact C-N 3.33Å; K98-E100 PolarHBondContact O-N 2.95Å; K98-N101 PolarHBondContact O-N 3.42Å; K98-D102 PolarHBondContact O-N 3.05Å
99	L	91.2	Very high	91.1	Very high	107 Å²	107	102.9 Å²	102.9	56%	0.56	54%	0.536	S	S	*	.	H	α-helix	trans	-63.6	-37.6	177.9	-177.6	64.7	0	0	0	112.2	N95 A96 D102 L103	N95-L99 WeakPolarHBondContact O-CB 3.43Å; N95-L99 PolarHBondContact O-N 2.91Å; A96-L99 PolarHBondContact O-N 3.34Å; L99-D102 PolarHBondContact O-N 3.45Å; L99-L103 HydrophobicContact CG-CD1 4.37Å; L99-L103 WeakPolarHBondContact O-CB 3.39Å; L99-L103 PolarHBondContact O-N 2.91Å
100	E	91.6	Very high	91.3	Very high	115 Å²	115	101.8 Å²	101.8	54%	0.537	53%	0.53	S	S	.	.	H	α-helix	trans	-63.7	-44.3	175.4	-172.1	176.6	177.8	0	0	111.4	A96 E97 K98 L103 Q104	A96-E100 PolarHBondContact O-N 3.3Å; E97-E100 PolarHBondContact O-N 2.88Å; K98-E100 VanDerWaalsContact C-N 3.33Å; K98-E100 PolarHBondContact O-N 2.95Å; E100-L103 PolarHBondContact O-N 3.41Å; E100-Q104 WeakPolarHBondContact O-CG 3.41Å; E100-Q104 PolarHBondContact O-N 2.93Å
101	N	93	Very high	91.6	Very high	91 Å²	91	102.4 Å²	102.4	49%	0.487	53%	0.53	S	S	.	.	H	α-helix	trans	-63	-42.7	175	-73	-51	0	0	0	112	E97 K98 Q104 A105	E97-N101 PolarHBondContact O-N 3.35Å; E97-N101 VanDerWaalsContact O-N 3.1Å; E97-N101 PolarHBondContact O-ND2 3.36Å; K98-N101 PolarHBondContact O-N 3.42Å; N101-Q104 PolarHBondContact O-N 3.1Å; N101-A105 WeakPolarHBondContact O-CB 3.43Å; N101-A105 PolarHBondContact O-N 2.95Å
102	D	94.3	Very high	91.8	Very high	93 Å²	93	101.3 Å²	101.3	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-65.5	-38.7	177.6	-71.2	-16.5	0	0	0	111.4	K98 L99 A105 L106	K98-D102 PolarHBondContact O-N 3.05Å; L99-D102 PolarHBondContact O-N 3.45Å; D102-A105 PolarHBondContact O-N 3.47Å; D102-L106 VanDerWaalsContact O-CB 3.32Å; D102-L106 WeakPolarHBondContact O-CB 3.32Å; D102-L106 PolarHBondContact O-N 2.89Å
103	L	91.1	Very high	92	Very high	104 Å²	104	99.9 Å²	99.9	55%	0.545	52%	0.523	S	S	.	.	H	α-helix	trans	-66	-40.7	174.5	-86.7	169.7	0	0	0	112.5	L99 E100 N107	L99-L103 HydrophobicContact CG-CD1 4.37Å; L99-L103 WeakPolarHBondContact O-CB 3.39Å; L99-L103 PolarHBondContact O-N 2.91Å; E100-L103 PolarHBondContact O-N 3.41Å; L103-N107 VanDerWaalsContact O-CB 3.32Å; L103-N107 WeakPolarHBondContact O-CB 3.41Å; L103-N107 PolarHBondContact O-N 2.91Å
104	Q	92.7	Very high	92.4	Very high	114 Å²	114	97.9 Å²	97.9	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-65.4	-43.9	175.3	-74.7	-177.9	10.7	0	0	111.3	E100 N101 N107 V108	E100-Q104 WeakPolarHBondContact O-CG 3.41Å; E100-Q104 PolarHBondContact O-N 2.93Å; N101-Q104 PolarHBondContact O-N 3.1Å; Q104-N107 PolarHBondContact O-N 2.99Å; Q104-V108 WeakPolarHBondContact O-CG2 3.28Å; Q104-V108 PolarHBondContact O-N 3.36Å
105	A	92.7	Very high	92.6	Very high	61 Å²	61	96.8 Å²	96.8	50%	0.504	52%	0.517	S	S	.	.	H	α-helix	trans	-60.4	-46.2	176.1	0	0	0	0	0	111.5	N101 D102 N107 V108 E109	N101-A105 WeakPolarHBondContact O-CB 3.43Å; N101-A105 PolarHBondContact O-N 2.95Å; D102-A105 PolarHBondContact O-N 3.47Å; A105-N107 PolarHBondContact O-N 3.47Å; A105-V108 PolarHBondContact O-N 3.04Å; A105-E109 PolarHBondContact O-N 3.3Å
106	L	92.7	Very high	92.7	Very high	107 Å²	107	99.4 Å²	99.4	56%	0.56	52%	0.524	S	S	*	.	H	α-helix	trans	-64.1	-38.8	177.4	-172.6	70	0	0	0	112.1	D102 E109 L110	D102-L106 VanDerWaalsContact O-CB 3.32Å; D102-L106 WeakPolarHBondContact O-CB 3.32Å; D102-L106 PolarHBondContact O-N 2.89Å; L106-E109 PolarHBondContact O-N 3.48Å; L106-L110 VanDerWaalsContact O-CB 3.28Å; L106-L110 WeakPolarHBondContact O-CB 3.32Å; L106-L110 PolarHBondContact O-N 2.83Å
107	N	93	Very high	92.8	Very high	99 Å²	99	103.6 Å²	103.6	53%	0.529	53%	0.533	S	S	.	.	H	α-helix	trans	-65	-41.7	177.9	-172.9	61.8	0	0	0	111.8	L103 Q104 A105 L110 E111	L103-N107 VanDerWaalsContact O-CB 3.32Å; L103-N107 WeakPolarHBondContact O-CB 3.41Å; L103-N107 PolarHBondContact O-N 2.91Å; Q104-N107 PolarHBondContact O-N 2.99Å; A105-N107 PolarHBondContact O-N 3.47Å; N107-L110 PolarHBondContact O-N 2.77Å; N107-E111 WeakPolarHBondContact O-CB 3.3Å; N107-E111 PolarHBondContact O-N 3.13Å
108	V	94.1	Very high	92.9	Very high	88 Å²	88	100.5 Å²	100.5	53%	0.533	53%	0.525	S	S	.	.	H	α-helix	trans	-63.3	-43.8	174.3	172.6	0	0	0	0	110.7	Q104 A105 L110 E111 V112	Q104-V108 WeakPolarHBondContact O-CG2 3.28Å; Q104-V108 PolarHBondContact O-N 3.36Å; A105-V108 PolarHBondContact O-N 3.04Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 3.34Å; V108-E111 PolarHBondContact O-N 3.04Å; V108-V112 VanDerWaalsContact O-CG2 3.3Å; V108-V112 WeakPolarHBondContact O-CG2 3.33Å; V108-V112 PolarHBondContact O-N 3.42Å
109	E	93.9	Very high	93	Very high	129 Å²	129	99.1 Å²	99.1	60%	0.603	52%	0.52	S	S	*	.	H	α-helix	trans	-63.5	-40	177	-171.2	175	-176.4	0	0	112.2	A105 L106 T113	A105-E109 PolarHBondContact O-N 3.3Å; L106-E109 PolarHBondContact O-N 3.48Å; E109-T113 WeakPolarHBondContact O-CB 3.44Å; E109-T113 PolarHBondContact O-N 2.91Å; E109-T113 PolarHBondContact O-OG1 3.04Å
110	L	93	Very high	93	Very high	102 Å²	102	97.4 Å²	97.4	53%	0.534	52%	0.517	S	S	.	.	H	α-helix	trans	-64.6	-46.5	176.4	-176.9	64.2	0	0	0	111.4	L106 N107 V108 V112 T113 V114	L106-L110 VanDerWaalsContact O-CB 3.28Å; L106-L110 WeakPolarHBondContact O-CB 3.32Å; L106-L110 PolarHBondContact O-N 2.83Å; N107-L110 PolarHBondContact O-N 2.77Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 3.34Å; L110-V112 PolarHBondContact O-N 3.47Å; L110-T113 PolarHBondContact O-N 2.83Å; L110-T113 VanDerWaalsContact O-N 3.13Å; L110-V114 HydrophobicContact CD1-CG2 4.26Å; L110-V114 HydrophobicContact CG-CG2 4.37Å; L110-V114 WeakPolarHBondContact O-CB 3.43Å; L110-V114 WeakPolarHBondContact O-CG2 3.5Å; L110-V114 PolarHBondContact O-N 3.4Å
111	E	93.5	Very high	93.1	Very high	111 Å²	111	94.4 Å²	94.4	52%	0.519	51%	0.508	S	S	.	.	H	α-helix	trans	-61.9	-43	178.7	-169.9	177.3	-179.2	0	0	111.5	N107 V108 T113 V114 N115	N107-E111 WeakPolarHBondContact O-CB 3.3Å; N107-E111 PolarHBondContact O-N 3.13Å; V108-E111 PolarHBondContact O-N 3.04Å; E111-T113 VanDerWaalsContact C-N 3.3Å; E111-T113 PolarHBondContact O-N 3.36Å; E111-V114 PolarHBondContact O-N 3Å; E111-N115 WeakPolarHBondContact O-CB 3.49Å; E111-N115 VanDerWaalsContact O-CG 3.24Å; E111-N115 PolarHBondContact O-N 3.41Å; E111-N115 PolarHBondContact O-ND2 2.91Å
112	V	93.8	Very high	93	Very high	64 Å²	64	95.1 Å²	95.1	39%	0.388	51%	0.512	S	S	.	.	H	α-helix	trans	-60.3	-41.2	173.6	170.9	0	0	0	0	111.3	V108 L110 K116	V108-V112 VanDerWaalsContact O-CG2 3.3Å; V108-V112 WeakPolarHBondContact O-CG2 3.33Å; V108-V112 PolarHBondContact O-N 3.42Å; L110-V112 PolarHBondContact O-N 3.47Å; V112-K116 HydrophobicContact CG1-CD 4.24Å; V112-K116 WeakPolarHBondContact O-CB 3.32Å; V112-K116 VanDerWaalsContact O-CG 3.32Å; V112-K116 WeakPolarHBondContact O-CG 3.4Å; V112-K116 PolarHBondContact O-N 3.19Å
113	T	93.4	Very high	92.8	Very high	81 Å²	81	96.8 Å²	96.8	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-70.4	-41.9	-179.4	-55.3	0	0	0	0	111.9	E109 L110 E111 K116 F117	E109-T113 WeakPolarHBondContact O-CB 3.44Å; E109-T113 PolarHBondContact O-N 2.91Å; E109-T113 PolarHBondContact O-OG1 3.04Å; L110-T113 PolarHBondContact O-N 2.83Å; L110-T113 VanDerWaalsContact O-N 3.13Å; E111-T113 VanDerWaalsContact C-N 3.3Å; E111-T113 PolarHBondContact O-N 3.36Å; T113-K116 PolarHBondContact O-N 3.05Å; T113-F117 WeakPolarHBondContact O-CB 3.47Å; T113-F117 PolarHBondContact O-N 3.22Å
114	V	94.5	Very high	92.9	Very high	81 Å²	81	96.5 Å²	96.5	49%	0.491	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-42.6	175.9	170.1	0	0	0	0	110.9	L110 E111 F117 S118	L110-V114 HydrophobicContact CD1-CG2 4.26Å; L110-V114 HydrophobicContact CG-CG2 4.37Å; L110-V114 WeakPolarHBondContact O-CB 3.43Å; L110-V114 WeakPolarHBondContact O-CG2 3.5Å; L110-V114 PolarHBondContact O-N 3.4Å; E111-V114 PolarHBondContact O-N 3Å; V114-F117 PolarHBondContact O-N 2.92Å; V114-S118 WeakPolarHBondContact O-CB 3.32Å; V114-S118 PolarHBondContact O-N 3.33Å
115	N	93.4	Very high	92.7	Very high	91 Å²	91	93.5 Å²	93.5	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-63.7	-44.2	176.9	-74.9	-28.7	0	0	0	111.7	E111 F117 S118 E119	E111-N115 WeakPolarHBondContact O-CB 3.49Å; E111-N115 VanDerWaalsContact O-CG 3.24Å; E111-N115 PolarHBondContact O-N 3.41Å; E111-N115 PolarHBondContact O-ND2 2.91Å; N115-F117 VanDerWaalsContact C-N 3.3Å; N115-F117 PolarHBondContact O-N 2.91Å; N115-S118 PolarHBondContact O-N 3.17Å; N115-E119 WeakPolarHBondContact O-CB 3.48Å; N115-E119 PolarHBondContact O-N 3.42Å
116	K	92.6	Very high	92.7	Very high	139 Å²	139	93.1 Å²	93.1	60%	0.604	51%	0.505	S	S	*	.	H	α-helix	trans	-60.3	-40.1	173.2	-75.8	175.3	-178.7	175.2	0	112.2	V112 T113 S120	V112-K116 HydrophobicContact CG1-CD 4.24Å; V112-K116 WeakPolarHBondContact O-CB 3.32Å; V112-K116 VanDerWaalsContact O-CG 3.32Å; V112-K116 WeakPolarHBondContact O-CG 3.4Å; V112-K116 PolarHBondContact O-N 3.19Å; T113-K116 PolarHBondContact O-N 3.05Å; K116-S120 WeakPolarHBondContact O-CB 3.45Å; K116-S120 PolarHBondContact O-N 2.81Å
117	F	92.5	Very high	92.6	Very high	143 Å²	143	91.5 Å²	91.5	63%	0.627	50%	0.502	S	S	*	.	H	α-helix	trans	-67.5	-43.5	177.3	-178.6	-105.6	0	0	0	112.1	T113 V114 N115 S120 C121	T113-F117 WeakPolarHBondContact O-CB 3.47Å; T113-F117 PolarHBondContact O-N 3.22Å; V114-F117 PolarHBondContact O-N 2.92Å; N115-F117 VanDerWaalsContact C-N 3.3Å; N115-F117 PolarHBondContact O-N 2.91Å; F117-S120 WeakPolarHBondContact O-CB 3.44Å; F117-S120 PolarHBondContact O-N 2.66Å; F117-C121 PolarHBondContact O-N 2.93Å
118	S	92.8	Very high	92.5	Very high	57 Å²	57	92.8 Å²	92.8	40%	0.399	50%	0.503	S	S	.	.	H	α-helix	trans	-60.8	-46.9	175.5	-165.9	0	0	0	0	111.3	V114 N115 S120 C121 D122	V114-S118 WeakPolarHBondContact O-CB 3.32Å; V114-S118 PolarHBondContact O-N 3.33Å; N115-S118 PolarHBondContact O-N 3.17Å; S118-S120 PolarHBondContact O-N 2.9Å; S118-C121 WeakPolarHBondContact O-CB 3.4Å; S118-C121 PolarHBondContact O-N 2.98Å; S118-D122 PolarHBondContact O-N 3.01Å
119	E	92.8	Very high	92.4	Very high	104 Å²	104	93.7 Å²	93.7	49%	0.486	50%	0.504	S	S	.	.	H	α-helix	trans	-59.8	-37.6	176.3	-165.9	-167.5	160.3	0	0	111.4	N115 K123	N115-E119 WeakPolarHBondContact O-CB 3.48Å; N115-E119 PolarHBondContact O-N 3.42Å; E119-K123 WeakPolarHBondContact O-CB 3.43Å; E119-K123 VanDerWaalsContact O-CG 3.28Å; E119-K123 WeakPolarHBondContact O-CG 3.24Å; E119-K123 PolarHBondContact O-N 3.42Å; E119-K123 VanDerWaalsContact OE1-CE 3.24Å; E119-K123 WeakPolarHBondContact OE1-CE 3.27Å; E119-K123 IonicContact OE1-NZ 3.39Å; E119-K123 PolarHBondContact OE1-NZ 3.28Å
120	S	92.5	Very high	92.3	Very high	72 Å²	72	91.3 Å²	91.3	50%	0.503	50%	0.498	S	S	.	.	H	α-helix	trans	-66.8	-38.4	174	-170	0	0	0	0	112.7	K116 F117 S118 L124	K116-S120 WeakPolarHBondContact O-CB 3.45Å; K116-S120 PolarHBondContact O-N 2.81Å; F117-S120 WeakPolarHBondContact O-CB 3.44Å; F117-S120 PolarHBondContact O-N 2.66Å; S118-S120 PolarHBondContact O-N 2.9Å; S120-L124 WeakPolarHBondContact O-CB 3.42Å; S120-L124 PolarHBondContact O-N 3.04Å
121	C	92	Very high	92.2	Very high	51 Å²	51	91 Å²	91	35%	0.345	50%	0.497	S	S	.	.	H	α-helix	trans	-66.5	-41.3	175.4	-76.6	0	0	0	0	112	F117 S118 L124 A125	F117-C121 PolarHBondContact O-N 2.93Å; S118-C121 WeakPolarHBondContact O-CB 3.4Å; S118-C121 PolarHBondContact O-N 2.98Å; C121-L124 WeakPolarHBondContact O-CB 3.43Å; C121-L124 PolarHBondContact O-N 3.41Å; C121-A125 PolarHBondContact O-N 3.3Å
122	D	92	Very high	92	Very high	106 Å²	106	89.8 Å²	89.8	57%	0.567	49%	0.494	S	S	*	.	H	α-helix	trans	-64.6	-43.7	176.4	-68	-29.1	0	0	0	111.2	S118 L124 A125 A126	S118-D122 PolarHBondContact O-N 3.01Å; D122-L124 VanDerWaalsContact C-N 3.3Å; D122-L124 PolarHBondContact O-N 3.2Å; D122-A125 PolarHBondContact O-N 2.86Å; D122-A126 WeakPolarHBondContact O-CB 3.28Å; D122-A126 PolarHBondContact O-N 2.91Å
123	K	91.1	Very high	91.9	Very high	128 Å²	128	92.4 Å²	92.4	56%	0.557	50%	0.502	S	S	*	.	H	α-helix	trans	-59.2	-40.3	172.2	-75.1	172.6	-174.8	167.2	0	111.9	E119 C127	E119-K123 WeakPolarHBondContact O-CB 3.43Å; E119-K123 VanDerWaalsContact O-CG 3.28Å; E119-K123 WeakPolarHBondContact O-CG 3.24Å; E119-K123 PolarHBondContact O-N 3.42Å; E119-K123 VanDerWaalsContact OE1-CE 3.24Å; E119-K123 WeakPolarHBondContact OE1-CE 3.27Å; E119-K123 IonicContact OE1-NZ 3.39Å; E119-K123 PolarHBondContact OE1-NZ 3.28Å; K123-C127 VanDerWaalsContact O-CB 3.27Å; K123-C127 WeakPolarHBondContact O-CB 3.49Å; K123-C127 PolarHBondContact O-N 2.92Å
124	L	91.3	Very high	91.7	Very high	98 Å²	98	92.2 Å²	92.2	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-67.9	-41.5	177.1	-179.7	63.3	0	0	0	112.1	S120 C121 D122 C127 K128	S120-L124 WeakPolarHBondContact O-CB 3.42Å; S120-L124 PolarHBondContact O-N 3.04Å; C121-L124 WeakPolarHBondContact O-CB 3.43Å; C121-L124 PolarHBondContact O-N 3.41Å; D122-L124 VanDerWaalsContact C-N 3.3Å; D122-L124 PolarHBondContact O-N 3.2Å; L124-C127 WeakPolarHBondContact O-CB 3.3Å; L124-C127 PolarHBondContact O-N 2.71Å; L124-K128 WeakPolarHBondContact O-CG 3.42Å; L124-K128 PolarHBondContact O-N 3.45Å
125	A	90.3	Very high	91.6	Very high	51 Å²	51	92.1 Å²	92.1	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-44.7	176.8	0	0	0	0	0	111.4	C121 D122 C127 K128 L129	C121-A125 PolarHBondContact O-N 3.3Å; D122-A125 PolarHBondContact O-N 2.86Å; A125-C127 VanDerWaalsContact C-N 3.32Å; A125-C127 PolarHBondContact O-N 3.44Å; A125-K128 PolarHBondContact O-N 3.28Å; A125-L129 PolarHBondContact O-N 2.92Å
126	A	91.3	Very high	91.3	Very high	54 Å²	54	93.7 Å²	93.7	45%	0.446	50%	0.501	S	S	.	.	H	α-helix	trans	-59	-44.1	172.4	0	0	0	0	0	111.3	D122 K128 L129 T130	D122-A126 WeakPolarHBondContact O-CB 3.28Å; D122-A126 PolarHBondContact O-N 2.91Å; A126-K128 VanDerWaalsContact C-N 3.33Å; A126-K128 PolarHBondContact O-N 3.02Å; A126-L129 PolarHBondContact O-N 3.47Å; A126-T130 WeakPolarHBondContact O-CG2 3.41Å; A126-T130 PolarHBondContact O-N 2.92Å; A126-T130 PolarHBondContact O-OG1 3.02Å
127	C	91.6	Very high	91	Very high	73 Å²	73	90.3 Å²	90.3	49%	0.493	50%	0.495	S	S	.	.	H	α-helix	trans	-61.5	-38.4	176.4	-170.1	0	0	0	0	112.5	K123 L124 A125 T130 L131	K123-C127 VanDerWaalsContact O-CB 3.27Å; K123-C127 WeakPolarHBondContact O-CB 3.49Å; K123-C127 PolarHBondContact O-N 2.92Å; L124-C127 WeakPolarHBondContact O-CB 3.3Å; L124-C127 PolarHBondContact O-N 2.71Å; A125-C127 VanDerWaalsContact C-N 3.32Å; A125-C127 PolarHBondContact O-N 3.44Å; C127-T130 VanDerWaalsContact C-OG1 3.3Å; C127-T130 VanDerWaalsContact CA-OG1 3.3Å; C127-T130 WeakPolarHBondContact CA-OG1 3.46Å; C127-T130 PolarHBondContact O-N 3.21Å; C127-T130 PolarHBondContact O-OG1 2.89Å; C127-L131 WeakPolarHBondContact O-CB 3.47Å; C127-L131 PolarHBondContact O-N 3.41Å
128	K	91.1	Very high	90.8	Very high	126 Å²	126	87.1 Å²	87.1	55%	0.548	48%	0.483	S	S	.	.	H	α-helix	trans	-66.1	-44.7	175.5	-76.8	-176.7	177.2	-177.7	0	112.1	L124 A125 A126 T130 L131 D132	L124-K128 WeakPolarHBondContact O-CG 3.42Å; L124-K128 PolarHBondContact O-N 3.45Å; A125-K128 PolarHBondContact O-N 3.28Å; A126-K128 VanDerWaalsContact C-N 3.33Å; A126-K128 PolarHBondContact O-N 3.02Å; K128-T130 VanDerWaalsContact C-N 3.31Å; K128-T130 PolarHBondContact O-N 3.41Å; K128-L131 WeakPolarHBondContact O-CB 3.21Å; K128-L131 PolarHBondContact O-N 3.36Å; K128-L131 VanDerWaalsContact O-N 3.08Å; K128-D132 PolarHBondContact O-N 3.27Å
129	L	91.8	Very high	90.6	Very high	107 Å²	107	90.1 Å²	90.1	56%	0.56	49%	0.491	S	S	*	.	H	α-helix	trans	-60.6	-41.3	174.7	-71.4	173.7	0	0	0	111.7	A125 A126 L131 D132 H133	A125-L129 PolarHBondContact O-N 2.92Å; A126-L129 PolarHBondContact O-N 3.47Å; L129-L131 VanDerWaalsContact C-N 3.31Å; L129-L131 PolarHBondContact O-N 3.3Å; L129-D132 PolarHBondContact O-N 3.08Å; L129-H133 VanDerWaalsContact O-CG 3.32Å; L129-H133 PolarHBondContact O-N 3.32Å; L129-H133 PolarHBondContact O-ND1 3.45Å
130	T	90.9	Very high	90.2	Very high	78 Å²	78	86.5 Å²	86.5	48%	0.479	48%	0.478	S	S	.	.	H	α-helix	trans	-64.2	-37.3	173.9	55	0	0	0	0	112.2	A126 C127 K128 H133 V134	A126-T130 WeakPolarHBondContact O-CG2 3.41Å; A126-T130 PolarHBondContact O-N 2.92Å; A126-T130 PolarHBondContact O-OG1 3.02Å; C127-T130 VanDerWaalsContact C-OG1 3.3Å; C127-T130 VanDerWaalsContact CA-OG1 3.3Å; C127-T130 WeakPolarHBondContact CA-OG1 3.46Å; C127-T130 PolarHBondContact O-N 3.21Å; C127-T130 PolarHBondContact O-OG1 2.89Å; K128-T130 VanDerWaalsContact C-N 3.31Å; K128-T130 PolarHBondContact O-N 3.41Å; T130-H133 PolarHBondContact O-N 2.95Å; T130-V134 WeakPolarHBondContact O-CB 3.47Å; T130-V134 WeakPolarHBondContact O-CG2 3.31Å; T130-V134 PolarHBondContact O-N 3.48Å
131	L	91.5	Very high	89.8	Confident	97 Å²	97	87.2 Å²	87.2	51%	0.508	48%	0.476	S	S	.	.	H	α-helix	trans	-65.8	-40.8	176.9	-173.3	66.7	0	0	0	111.3	C127 K128 L129 V134 N135	C127-L131 WeakPolarHBondContact O-CB 3.47Å; C127-L131 PolarHBondContact O-N 3.41Å; K128-L131 WeakPolarHBondContact O-CB 3.21Å; K128-L131 PolarHBondContact O-N 3.36Å; K128-L131 VanDerWaalsContact O-N 3.08Å; L129-L131 VanDerWaalsContact C-N 3.31Å; L129-L131 PolarHBondContact O-N 3.3Å; L131-V134 PolarHBondContact O-N 3.23Å; L131-N135 WeakPolarHBondContact O-CB 3.47Å; L131-N135 VanDerWaalsContact O-CG 3.23Å; L131-N135 PolarHBondContact O-N 2.9Å; L131-N135 PolarHBondContact O-ND2 2.82Å
132	D	90	Very high	89.6	Confident	84 Å²	84	91 Å²	91	45%	0.449	49%	0.489	S	S	.	.	H	α-helix	trans	-64.7	-43.6	176.3	-71.7	-19.1	0	0	0	111.7	K128 L129 V134 N135 Q136	K128-D132 PolarHBondContact O-N 3.27Å; L129-D132 PolarHBondContact O-N 3.08Å; D132-V134 VanDerWaalsContact C-N 3.33Å; D132-V134 PolarHBondContact O-N 2.85Å; D132-N135 PolarHBondContact O-N 3.28Å; D132-Q136 WeakPolarHBondContact O-CG 3.44Å; D132-Q136 PolarHBondContact O-N 3.24Å
133	H	90	Very high	89.2	Confident	120 Å²	120	89.5 Å²	89.5	56%	0.556	48%	0.48	S	S	*	.	H	α-helix	trans	-62.3	-39.7	173.4	-65.7	160.8	0	0	0	112.3	L129 T130 Q136 C137	L129-H133 VanDerWaalsContact O-CG 3.32Å; L129-H133 PolarHBondContact O-N 3.32Å; L129-H133 PolarHBondContact O-ND1 3.45Å; T130-H133 PolarHBondContact O-N 2.95Å; H133-Q136 PolarHBondContact O-N 2.84Å; H133-C137 WeakPolarHBondContact O-CB 3.41Å; H133-C137 PolarHBondContact O-N 3.38Å
134	V	90.5	Very high	88.8	Confident	77 Å²	77	84 Å²	84	47%	0.467	46%	0.457	S	S	.	.	H	α-helix	trans	-64.3	-43.3	175.2	168.1	0	0	0	0	110.6	T130 L131 D132 C137 I138	T130-V134 WeakPolarHBondContact O-CB 3.47Å; T130-V134 WeakPolarHBondContact O-CG2 3.31Å; T130-V134 PolarHBondContact O-N 3.48Å; L131-V134 PolarHBondContact O-N 3.23Å; D132-V134 VanDerWaalsContact C-N 3.33Å; D132-V134 PolarHBondContact O-N 2.85Å; V134-C137 WeakPolarHBondContact O-CB 3.25Å; V134-C137 PolarHBondContact O-N 3.42Å; V134-I138 HydrophobicContact CG1-CD1 3.81Å; V134-I138 HydrophobicContact CG1-CG1 4.34Å; V134-I138 VanDerWaalsContact O-CG1 3.31Å; V134-I138 WeakPolarHBondContact O-CG1 3.36Å; V134-I138 PolarHBondContact O-N 3.48Å
135	N	91	Very high	88.6	Confident	79 Å²	79	83.5 Å²	83.5	42%	0.422	46%	0.455	S	S	.	.	H	α-helix	trans	-62.7	-43.6	177.7	-72.3	-29.3	0	0	0	111.9	L131 D132 C137 I138 E139	L131-N135 WeakPolarHBondContact O-CB 3.47Å; L131-N135 VanDerWaalsContact O-CG 3.23Å; L131-N135 PolarHBondContact O-N 2.9Å; L131-N135 PolarHBondContact O-ND2 2.82Å; D132-N135 PolarHBondContact O-N 3.28Å; N135-C137 VanDerWaalsContact C-N 3.29Å; N135-C137 PolarHBondContact O-N 3.18Å; N135-I138 PolarHBondContact O-N 2.95Å; N135-E139 PolarHBondContact O-N 3.24Å
136	Q	88.3	Confident	88.3	Confident	123 Å²	123	84.3 Å²	84.3	58%	0.575	46%	0.456	S	S	*	.	H	α-helix	trans	-61.4	-38.5	174	-70.8	172	16.7	0	0	111.9	D132 H133 A140	D132-Q136 WeakPolarHBondContact O-CG 3.44Å; D132-Q136 PolarHBondContact O-N 3.24Å; H133-Q136 PolarHBondContact O-N 2.84Å; Q136-A140 WeakPolarHBondContact O-CB 3.28Å; Q136-A140 PolarHBondContact O-N 2.89Å
137	C	86.8	Confident	87.8	Confident	69 Å²	69	82 Å²	82	47%	0.466	44%	0.436	S	S	.	.	H	α-helix	trans	-67	-41.7	175.5	-171.4	0	0	0	0	111.9	H133 V134 N135 A140 I141	H133-C137 WeakPolarHBondContact O-CB 3.41Å; H133-C137 PolarHBondContact O-N 3.38Å; V134-C137 WeakPolarHBondContact O-CB 3.25Å; V134-C137 PolarHBondContact O-N 3.42Å; N135-C137 VanDerWaalsContact C-N 3.29Å; N135-C137 PolarHBondContact O-N 3.18Å; C137-A140 PolarHBondContact O-N 2.98Å; C137-I141 WeakPolarHBondContact O-CB 3.46Å; C137-I141 VanDerWaalsContact O-CG1 3.25Å; C137-I141 WeakPolarHBondContact O-CG1 3.44Å; C137-I141 PolarHBondContact O-N 3.01Å
138	I	88.2	Confident	87.4	Confident	75 Å²	75	81.9 Å²	81.9	39%	0.385	43%	0.43	S	S	.	.	H	α-helix	trans	-60.8	-46.6	175.5	-70.5	167.7	0	0	0	110.4	V134 N135 I141 Q142	V134-I138 HydrophobicContact CG1-CD1 3.81Å; V134-I138 HydrophobicContact CG1-CG1 4.34Å; V134-I138 VanDerWaalsContact O-CG1 3.31Å; V134-I138 WeakPolarHBondContact O-CG1 3.36Å; V134-I138 PolarHBondContact O-N 3.48Å; N135-I138 PolarHBondContact O-N 2.95Å; I138-I141 PolarHBondContact O-N 2.95Å; I138-Q142 HydrophobicContact CG2-CG 4.25Å; I138-Q142 WeakPolarHBondContact O-CB 3.39Å; I138-Q142 VanDerWaalsContact O-CG 3.28Å; I138-Q142 WeakPolarHBondContact O-CG 3.37Å; I138-Q142 PolarHBondContact O-N 3.46Å
139	E	86.7	Confident	87.2	Confident	121 Å²	121	79.9 Å²	79.9	57%	0.565	42%	0.422	S	S	*	.	H	α-helix	trans	-61.8	-45.1	178.4	-170.9	176.4	-173.9	0	0	111.4	N135 I141 Q142 I143	N135-E139 PolarHBondContact O-N 3.24Å; E139-I141 VanDerWaalsContact C-N 3.34Å; E139-I141 PolarHBondContact O-N 3.22Å; E139-Q142 PolarHBondContact O-N 3.36Å; E139-I143 HydrophobicContact CG-CD1 4.29Å; E139-I143 WeakPolarHBondContact O-CG1 3.4Å; E139-I143 PolarHBondContact O-N 3.31Å
140	A	84.6	Confident	86.8	Confident	27 Å²	27	76.3 Å²	76.3	22%	0.223	40%	0.403	C	S	.	.	H	α-helix	trans	-60.2	-40.6	174.7	0	0	0	0	0	112.9	Q136 C137 S144 F184	Q136-A140 WeakPolarHBondContact O-CB 3.28Å; Q136-A140 PolarHBondContact O-N 2.89Å; C137-A140 PolarHBondContact O-N 2.98Å; A140-S144 WeakPolarHBondContact O-CB 3.18Å; A140-S144 PolarHBondContact O-N 2.77Å; A140-S144 VanDerWaalsContact O-N 3.08Å; A140-S144 PolarHBondContact O-OG 3.41Å; A140-F184 HydrophobicContact CB-CE1 3.84Å; A140-F184 HydrophobicContact CB-CZ 3.79Å
141	I	85.6	Confident	86.5	Confident	87 Å²	87	74 Å²	74	45%	0.446	39%	0.385	S	S	.	.	H	α-helix	trans	-67.8	-41.7	175.6	-69.6	167.4	0	0	0	110.6	C137 I138 E139 I143 S144 L145	C137-I141 WeakPolarHBondContact O-CB 3.46Å; C137-I141 VanDerWaalsContact O-CG1 3.25Å; C137-I141 WeakPolarHBondContact O-CG1 3.44Å; C137-I141 PolarHBondContact O-N 3.01Å; I138-I141 PolarHBondContact O-N 2.95Å; E139-I141 VanDerWaalsContact C-N 3.34Å; E139-I141 PolarHBondContact O-N 3.22Å; I141-I143 VanDerWaalsContact C-N 3.29Å; I141-I143 PolarHBondContact O-N 3Å; I141-S144 WeakPolarHBondContact CA-OG 3.49Å; I141-S144 PolarHBondContact O-N 3.38Å; I141-S144 PolarHBondContact O-OG 2.84Å; I141-L145 WeakPolarHBondContact O-CB 3.09Å; I141-L145 PolarHBondContact O-N 3.27Å
142	Q	86.6	Confident	86.2	Confident	132 Å²	132	72.6 Å²	72.6	62%	0.617	38%	0.384	S	S	*	.	H	α-helix	trans	-63.4	-33.9	179.3	-77.4	176.5	-12.2	0	0	112.7	I138 E139 P146	I138-Q142 HydrophobicContact CG2-CG 4.25Å; I138-Q142 WeakPolarHBondContact O-CB 3.39Å; I138-Q142 VanDerWaalsContact O-CG 3.28Å; I138-Q142 WeakPolarHBondContact O-CG 3.37Å; I138-Q142 PolarHBondContact O-N 3.46Å; E139-Q142 PolarHBondContact O-N 3.36Å; Q142-P146 WeakPolarHBondContact O-CD 3.41Å; Q142-P146 WeakPolarHBondContact O-CG 3.43Å
143	I	84.4	Confident	86.1	Confident	73 Å²	73	75.4 Å²	75.4	37%	0.374	39%	0.389	S	S	.	.	H	α-helix	trans	-75.1	-41.9	175	-64.9	166.7	0	0	0	111.1	E139 I141 I147	E139-I143 HydrophobicContact CG-CD1 4.29Å; E139-I143 WeakPolarHBondContact O-CG1 3.4Å; E139-I143 PolarHBondContact O-N 3.31Å; I141-I143 VanDerWaalsContact C-N 3.29Å; I141-I143 PolarHBondContact O-N 3Å; I143-I147 WeakPolarHBondContact O-CD1 3.44Å
144	S	83.1	Confident	85.9	Confident	13 Å²	13	69.7 Å²	69.7	9%	0.091	36%	0.362	C	S	.	.	H	α-helix	trans	-80.4	-32.2	-174.1	54.7	0	0	0	0	114.4	A140 I141 I147 L148	A140-S144 WeakPolarHBondContact O-CB 3.18Å; A140-S144 PolarHBondContact O-N 2.77Å; A140-S144 VanDerWaalsContact O-N 3.08Å; A140-S144 PolarHBondContact O-OG 3.41Å; I141-S144 WeakPolarHBondContact CA-OG 3.49Å; I141-S144 PolarHBondContact O-N 3.38Å; I141-S144 PolarHBondContact O-OG 2.84Å; S144-I147 PolarHBondContact O-N 3.18Å; S144-L148 WeakPolarHBondContact O-CG 3.39Å; S144-L148 PolarHBondContact O-N 3.03Å
145	L	85.5	Confident	85.6	Confident	88 Å²	88	68.5 Å²	68.5	46%	0.461	35%	0.351	S	S	.	.	H	α-helix	trans	-62	-48.9	-173.9	-175.7	70.4	0	0	0	113.6	I141 I147 L148 E149	I141-L145 WeakPolarHBondContact O-CB 3.09Å; I141-L145 PolarHBondContact O-N 3.27Å; L145-I147 PolarHBondContact O-N 3.1Å; L145-L148 PolarHBondContact O-N 3.21Å; L145-E149 WeakPolarHBondContact O-CG 3.33Å; L145-E149 PolarHBondContact O-N 2.98Å
146	P	84.6	Confident	85.4	Confident	67 Å²	67	70.2 Å²	70.2	44%	0.435	36%	0.357	S	S	.	.	H	α-helix	trans	-59.5	-32.9	179.3	-23.6	34.8	0	0	0	112.8	Q142 Q150	Q142-P146 WeakPolarHBondContact O-CD 3.41Å; Q142-P146 WeakPolarHBondContact O-CG 3.43Å; P146-Q150 WeakPolarHBondContact O-CB 3.41Å; P146-Q150 PolarHBondContact O-N 3.46Å
147	I	81.9	Confident	85.2	Confident	6 Å²	6	64.9 Å²	64.9	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-75.3	-43.2	-178.7	-55.6	175	0	0	0	110.3	I143 S144 L145 E149 Q150 Y151 L173 Q177 I181	I143-I147 WeakPolarHBondContact O-CD1 3.44Å; S144-I147 PolarHBondContact O-N 3.18Å; L145-I147 PolarHBondContact O-N 3.1Å; I147-E149 VanDerWaalsContact C-N 3.3Å; I147-E149 PolarHBondContact O-N 3.13Å; I147-Q150 PolarHBondContact O-N 3.32Å; I147-Y151 PolarHBondContact O-N 3.08Å; I147-L173 HydrophobicContact CG2-CD1 3.39Å; I147-Q177 HydrophobicContact CD1-CB 4.19Å; I147-Q177 HydrophobicContact CG1-CB 4.27Å; I147-I181 HydrophobicContact CB-CD1 3.99Å; I147-I181 HydrophobicContact CD1-CD1 3.29Å; I147-I181 HydrophobicContact CD1-CG1 3.43Å; I147-I181 VanDerWaalsContact CD1-CG1 3.43Å; I147-I181 HydrophobicContact CG1-CD1 4.15Å; I147-I181 HydrophobicContact CG2-CD1 3.24Å
148	L	83.3	Confident	85	Confident	71 Å²	71	62.4 Å²	62.4	37%	0.372	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-37.5	173.1	-69.9	174.2	0	0	0	111.6	S144 L145 Y151 S152 F186 I190	S144-L148 WeakPolarHBondContact O-CG 3.39Å; S144-L148 PolarHBondContact O-N 3.03Å; L145-L148 PolarHBondContact O-N 3.21Å; L148-Y151 PolarHBondContact O-N 3.22Å; L148-S152 WeakPolarHBondContact O-CB 3.46Å; L148-S152 PolarHBondContact O-N 3.14Å; L148-F186 HydrophobicContact CD2-CD2 4.09Å; L148-F186 HydrophobicContact CD2-CE2 4.07Å; L148-F186 HydrophobicContact CG-CE2 4.4Å; L148-I190 HydrophobicContact CD2-CD1 4.22Å
149	E	85.9	Confident	84.7	Confident	83 Å²	83	63 Å²	63	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-43.7	171.7	-74.5	-178.1	-167.6	0	0	111.9	L145 I147 S152 R153	L145-E149 WeakPolarHBondContact O-CG 3.33Å; L145-E149 PolarHBondContact O-N 2.98Å; I147-E149 VanDerWaalsContact C-N 3.3Å; I147-E149 PolarHBondContact O-N 3.13Å; E149-S152 PolarHBondContact O-N 3.5Å; E149-R153 VanDerWaalsContact O-CG 3.28Å; E149-R153 WeakPolarHBondContact O-CG 3.48Å; E149-R153 PolarHBondContact O-N 3.36Å; E149-R153 IonicContact OE2-NH2 2.84Å; E149-R153 PolarHBondContact OE2-NH2 2.84Å; E149-R153 VanDerWaalsContact OE2-NH2 3.1Å
150	Q	83.1	Confident	84.5	Confident	33 Å²	33	61.1 Å²	61.1	15%	0.154	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-43.3	175.8	-179.4	164.5	-12.5	0	0	111.4	P146 I147 R153 I154 N169	P146-Q150 WeakPolarHBondContact O-CB 3.41Å; P146-Q150 PolarHBondContact O-N 3.46Å; I147-Q150 PolarHBondContact O-N 3.32Å; Q150-R153 PolarHBondContact O-N 3.48Å; Q150-I154 HydrophobicContact CG-CD1 4.32Å; Q150-I154 VanDerWaalsContact O-CG1 3.3Å; Q150-I154 WeakPolarHBondContact O-CG1 3.42Å; Q150-I154 PolarHBondContact O-N 3.47Å; Q150-N169 PolarHBondContact NE2-O 2.64Å; Q150-N169 VanDerWaalsContact NE2-O 3.13Å
151	Y	84.2	Confident	84.1	Confident	28 Å²	28	60.9 Å²	60.9	11%	0.11	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-41.8	174.1	-173	-103.8	0	0	0	112.2	I147 L148 R153 I154 E155 L173 I190	I147-Y151 PolarHBondContact O-N 3.08Å; L148-Y151 PolarHBondContact O-N 3.22Å; Y151-R153 PolarHBondContact O-N 3.28Å; Y151-I154 WeakPolarHBondContact O-CB 3.28Å; Y151-I154 PolarHBondContact O-N 3.39Å; Y151-E155 HydrophobicContact CE1-CG 4.14Å; Y151-E155 PolarHBondContact O-N 2.87Å; Y151-L173 HydrophobicContact CD2-CD2 3.89Å; Y151-I190 HydrophobicContact CD2-CG2 4.25Å; Y151-I190 HydrophobicContact CE2-CG2 4.38Å
152	S	85.8	Confident	83.9	Confident	69 Å²	69	62.7 Å²	62.7	48%	0.483	33%	0.326	S	S	.	.	H	α-helix	trans	-62.3	-41.1	174.3	-179.8	0	0	0	0	112.2	L148 E149 I154 E155 Q156	L148-S152 WeakPolarHBondContact O-CB 3.46Å; L148-S152 PolarHBondContact O-N 3.14Å; E149-S152 PolarHBondContact O-N 3.5Å; S152-I154 VanDerWaalsContact C-N 3.32Å; S152-I154 PolarHBondContact O-N 3.47Å; S152-E155 PolarHBondContact O-N 3.44Å; S152-Q156 WeakPolarHBondContact O-CB 3.47Å; S152-Q156 PolarHBondContact O-N 3.22Å
153	R	87.2	Confident	83.7	Confident	143 Å²	143	58 Å²	58	54%	0.54	30%	0.303	S	S	.	.	H	α-helix	trans	-64.8	-34.1	174.2	-70.4	175.7	-149.8	175.4	7.8	112.2	E149 Q150 Y151 S157	E149-R153 VanDerWaalsContact O-CG 3.28Å; E149-R153 WeakPolarHBondContact O-CG 3.48Å; E149-R153 PolarHBondContact O-N 3.36Å; E149-R153 IonicContact OE2-NH2 2.84Å; E149-R153 PolarHBondContact OE2-NH2 2.84Å; E149-R153 VanDerWaalsContact OE2-NH2 3.1Å; Q150-R153 PolarHBondContact O-N 3.48Å; Y151-R153 PolarHBondContact O-N 3.28Å; R153-S157 VanDerWaalsContact O-CB 3.3Å; R153-S157 WeakPolarHBondContact O-CB 3.47Å; R153-S157 PolarHBondContact O-N 3.01Å; R153-S157 PolarHBondContact O-OG 3.36Å
154	I	85.7	Confident	83.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-50.3	173.4	-68.9	160.2	0	0	0	109.9	Q150 Y151 S152 Q156 S157 I158 A166 N169 L170 L173	Q150-I154 HydrophobicContact CG-CD1 4.32Å; Q150-I154 VanDerWaalsContact O-CG1 3.3Å; Q150-I154 WeakPolarHBondContact O-CG1 3.42Å; Q150-I154 PolarHBondContact O-N 3.47Å; Y151-I154 WeakPolarHBondContact O-CB 3.28Å; Y151-I154 PolarHBondContact O-N 3.39Å; S152-I154 VanDerWaalsContact C-N 3.32Å; S152-I154 PolarHBondContact O-N 3.47Å; I154-Q156 VanDerWaalsContact C-N 3.32Å; I154-Q156 PolarHBondContact O-N 2.91Å; I154-S157 PolarHBondContact O-N 2.95Å; I154-S157 VanDerWaalsContact O-N 3.15Å; I154-I158 HydrophobicContact CG2-CD1 4Å; I154-I158 WeakPolarHBondContact O-CG1 3.42Å; I154-I158 PolarHBondContact O-N 2.81Å; I154-A166 HydrophobicContact CG2-CB 4.29Å; I154-N169 HydrophobicContact CD1-CB 4.06Å; I154-N169 HydrophobicContact CG1-CB 3.61Å; I154-L170 HydrophobicContact CD1-CB 4.2Å; I154-L170 HydrophobicContact CD1-CD1 4.19Å; I154-L170 HydrophobicContact CG2-CB 4.47Å; I154-L170 HydrophobicContact CG2-CD1 4.39Å; I154-L173 HydrophobicContact CD1-CB 4.3Å; I154-L173 HydrophobicContact CD1-CD2 3.84Å
155	E	84.9	Confident	82.9	Confident	52 Å²	52	63 Å²	63	24%	0.243	32%	0.32	C	S	.	.	H	α-helix	trans	-59.3	-42.7	177.3	-74	-63.7	133.1	0	0	112	Y151 S152 I158 A159 R200	Y151-E155 HydrophobicContact CE1-CG 4.14Å; Y151-E155 PolarHBondContact O-N 2.87Å; S152-E155 PolarHBondContact O-N 3.44Å; E155-I158 PolarHBondContact O-N 2.98Å; E155-A159 PolarHBondContact O-N 3.08Å; E155-R200 IonicContact OE1-CZ 2.93Å; E155-R200 IonicContact OE1-NH2 2.75Å; E155-R200 PolarHBondContact OE1-NH2 3.47Å; E155-R200 IonicContact OE2-CZ 2.96Å; E155-R200 IonicContact OE2-NH1 3.09Å; E155-R200 PolarHBondContact OE2-NH1 2.84Å; E155-R200 VanDerWaalsContact OE2-NH1 3.14Å; E155-R200 IonicContact OE2-NH2 2.75Å; E155-R200 PolarHBondContact OE2-NH2 2.98Å
156	Q	87.4	Confident	82.8	Confident	115 Å²	115	58.8 Å²	58.8	54%	0.537	30%	0.298	S	S	.	.	H	α-helix	trans	-64	-41.3	175.2	-170.2	173.8	3.4	0	0	111.8	S152 I154 I158 A159 D160	S152-Q156 WeakPolarHBondContact O-CB 3.47Å; S152-Q156 PolarHBondContact O-N 3.22Å; I154-Q156 VanDerWaalsContact C-N 3.32Å; I154-Q156 PolarHBondContact O-N 2.91Å; Q156-I158 VanDerWaalsContact C-N 3.28Å; Q156-I158 PolarHBondContact O-N 3.01Å; Q156-A159 WeakPolarHBondContact O-CB 3.47Å; Q156-A159 PolarHBondContact O-N 2.86Å; Q156-A159 VanDerWaalsContact O-N 3.14Å; Q156-D160 WeakPolarHBondContact O-CB 3.44Å; Q156-D160 PolarHBondContact O-N 3.3Å
157	S	84.3	Confident	82.6	Confident	11 Å²	11	55.7 Å²	55.7	8%	0.077	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-33.6	177.1	-60.8	0	0	0	0	112.4	R153 I154 D160 G161 R162	R153-S157 VanDerWaalsContact O-CB 3.3Å; R153-S157 WeakPolarHBondContact O-CB 3.47Å; R153-S157 PolarHBondContact O-N 3.01Å; R153-S157 PolarHBondContact O-OG 3.36Å; I154-S157 PolarHBondContact O-N 2.95Å; I154-S157 VanDerWaalsContact O-N 3.15Å; S157-D160 PolarHBondContact O-N 2.77Å; S157-G161 PolarHBondContact O-N 3.37Å; S157-R162 CarbonylContact O-C 3.59Å; S157-R162 WeakPolarHBondContact O-CA 3.3Å; S157-R162 PolarHBondContact O-N 2.92Å
158	I	83	Confident	82.5	Confident	17 Å²	17	60.1 Å²	60.1	9%	0.087	30%	0.296	C	S	.	.	H	α-helix	trans	-69.2	-42.3	173.4	-63.9	167	0	0	0	110.3	I154 E155 Q156 D160 G161 Y163 A166 T197 I201	I154-I158 HydrophobicContact CG2-CD1 4Å; I154-I158 WeakPolarHBondContact O-CG1 3.42Å; I154-I158 PolarHBondContact O-N 2.81Å; E155-I158 PolarHBondContact O-N 2.98Å; Q156-I158 VanDerWaalsContact C-N 3.28Å; Q156-I158 PolarHBondContact O-N 3.01Å; I158-D160 VanDerWaalsContact C-N 3.27Å; I158-D160 PolarHBondContact O-N 3.15Å; I158-G161 PolarHBondContact O-N 2.86Å; I158-G161 VanDerWaalsContact O-N 3.12Å; I158-Y163 HydrophobicContact CG2-CE1 4.36Å; I158-A166 HydrophobicContact CD1-CB 4.22Å; I158-A166 HydrophobicContact CG1-CB 3.46Å; I158-A166 VanDerWaalsContact CG1-CB 3.46Å; I158-T197 HydrophobicContact CD1-CG2 3.36Å; I158-I201 HydrophobicContact CD1-CD1 3.9Å; I158-I201 HydrophobicContact CD1-CG1 3.98Å; I158-I201 HydrophobicContact CG1-CD1 4.12Å; I158-I201 HydrophobicContact CG1-CG1 4.04Å
159	A	80.1	Confident	82.5	Confident	87 Å²	87	59 Å²	59	72%	0.719	29%	0.291	S	S	*	.	H	α-helix	trans	-63.5	-33.4	175.7	0	0	0	0	0	112.6	E155 Q156 G161	E155-A159 PolarHBondContact O-N 3.08Å; Q156-A159 WeakPolarHBondContact O-CB 3.47Å; Q156-A159 PolarHBondContact O-N 2.86Å; Q156-A159 VanDerWaalsContact O-N 3.14Å; A159-G161 VanDerWaalsContact C-N 3.25Å; A159-G161 PolarHBondContact O-N 3.4Å
160	D	82.5	Confident	82.3	Confident	82 Å²	82	55 Å²	55	44%	0.439	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-2.1	175.7	-63.6	-17.8	0	0	0	113.3	Q156 S157 I158 R162	Q156-D160 WeakPolarHBondContact O-CB 3.44Å; Q156-D160 PolarHBondContact O-N 3.3Å; S157-D160 PolarHBondContact O-N 2.77Å; I158-D160 VanDerWaalsContact C-N 3.27Å; I158-D160 PolarHBondContact O-N 3.15Å; D160-R162 HydrophobicContact CB-CG 4.43Å; D160-R162 PolarHBondContact O-N 2.86Å; D160-R162 IonicContact OD2-CZ 2.7Å; D160-R162 IonicContact OD2-NE 3.32Å; D160-R162 IonicContact OD2-NH2 3.4Å; D160-R162 PolarHBondContact OD2-NH2 3.14Å
161	G	77.7	Confident	82.2	Confident	21 Å²	21	56 Å²	56	22%	0.216	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	6.6	-176.1	0	0	0	0	0	114.9	S157 I158 A159 Y163	S157-G161 PolarHBondContact O-N 3.37Å; I158-G161 PolarHBondContact O-N 2.86Å; I158-G161 VanDerWaalsContact O-N 3.12Å; A159-G161 VanDerWaalsContact C-N 3.25Å; A159-G161 PolarHBondContact O-N 3.4Å; G161-Y163 WeakPolarHBondContact O-CD2 3.21Å; G161-Y163 PolarHBondContact O-N 3.27Å
162	R	81.2	Confident	82	Confident	125 Å²	125	58 Å²	58	47%	0.472	29%	0.289	S	S	.	.			trans	-82.5	61.3	178	-67.7	-174.6	-72	173.7	-4.3	111.3	S157 D160 Y164 H165 A166	S157-R162 CarbonylContact O-C 3.59Å; S157-R162 WeakPolarHBondContact O-CA 3.3Å; S157-R162 PolarHBondContact O-N 2.92Å; D160-R162 HydrophobicContact CB-CG 4.43Å; D160-R162 PolarHBondContact O-N 2.86Å; D160-R162 IonicContact OD2-CZ 2.7Å; D160-R162 IonicContact OD2-NE 3.32Å; D160-R162 IonicContact OD2-NH2 3.4Å; D160-R162 PolarHBondContact OD2-NH2 3.14Å; R162-Y164 VanDerWaalsContact C-N 3.29Å; R162-Y164 PolarHBondContact O-N 3.32Å; R162-H165 HydrophobicContact CB-CB 4.36Å; R162-H165 PolarHBondContact O-N 3.02Å; R162-A166 PolarHBondContact O-N 3.46Å
163	Y	81.1	Confident	81.8	Confident	33 Å²	33	54.7 Å²	54.7	13%	0.129	27%	0.267	C	S	.	.	H	α-helix	trans	-58.6	-35.4	-173.5	-57.9	-50	0	0	0	114.3	I158 G161 A166 L167 I201 A204 E208	I158-Y163 HydrophobicContact CG2-CE1 4.36Å; G161-Y163 WeakPolarHBondContact O-CD2 3.21Å; G161-Y163 PolarHBondContact O-N 3.27Å; Y163-A166 PolarHBondContact O-N 2.92Å; Y163-L167 WeakPolarHBondContact O-CB 3.22Å; Y163-L167 PolarHBondContact O-N 3.2Å; Y163-I201 HydrophobicContact CD1-CG2 4.49Å; Y163-I201 HydrophobicContact CG-CG2 4.44Å; Y163-A204 HydrophobicContact CD1-CB 4.49Å; Y163-A204 HydrophobicContact CE1-CB 3.77Å; Y163-A204 HydrophobicContact CE2-CB 4.23Å; Y163-E208 HydrophobicContact CE2-CG 4.32Å; Y163-E208 VanDerWaalsContact CE2-OE1 3.31Å; Y163-E208 WeakPolarHBondContact CE2-OE1 3.48Å
164	Y	72.7	Confident	81.3	Confident	93 Å²	93	50.8 Å²	50.8	37%	0.365	25%	0.254	S	S	.	.	H	α-helix	trans	-65.1	-50.1	177.3	172.2	-104	0	0	0	112	R162 A166 L167 K168 H351	R162-Y164 VanDerWaalsContact C-N 3.29Å; R162-Y164 PolarHBondContact O-N 3.32Å; Y164-A166 VanDerWaalsContact C-N 3.26Å; Y164-A166 PolarHBondContact O-N 3.24Å; Y164-L167 PolarHBondContact O-N 3.45Å; Y164-K168 PolarHBondContact O-N 3.1Å; Y164-H351 AromaticContact CD2-CE1 3.75Å; Y164-H351 AromaticContact CD2-ND1 3.74Å; Y164-H351 AromaticContact CE2-CE1 3.33Å; Y164-H351 WeakPolarHBondContact CE2-CE1 3.3Å; Y164-H351 AromaticContact CE2-ND1 3.82Å; Y164-H351 AromaticContact CE2-NE2 3.9Å
165	H	79.4	Confident	80.9	Confident	99 Å²	99	57.4 Å²	57.4	46%	0.458	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-39.7	177.6	-72.6	-77.6	0	0	0	111.1	R162 N169	R162-H165 HydrophobicContact CB-CB 4.36Å; R162-H165 PolarHBondContact O-N 3.02Å; H165-N169 VanDerWaalsContact O-CB 3.24Å; H165-N169 WeakPolarHBondContact O-CB 3.26Å; H165-N169 PolarHBondContact O-N 3.18Å; H165-N169 PolarHBondContact O-ND2 2.72Å
166	A	83.8	Confident	80.6	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-47.3	173.9	0	0	0	0	0	112.2	I154 I158 R162 Y163 Y164 L170 I201	I154-A166 HydrophobicContact CG2-CB 4.29Å; I158-A166 HydrophobicContact CD1-CB 4.22Å; I158-A166 HydrophobicContact CG1-CB 3.46Å; I158-A166 VanDerWaalsContact CG1-CB 3.46Å; R162-A166 PolarHBondContact O-N 3.46Å; Y163-A166 PolarHBondContact O-N 2.92Å; Y164-A166 VanDerWaalsContact C-N 3.26Å; Y164-A166 PolarHBondContact O-N 3.24Å; A166-L170 WeakPolarHBondContact O-CB 3.25Å; A166-L170 PolarHBondContact O-N 2.95Å; A166-I201 HydrophobicContact CB-CD1 4.07Å
167	L	80	Confident	79.8	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-67	-45.1	-177.7	-171.5	65.4	0	0	0	112	Y163 Y164 L170 E171 R198 I201 I352 V355 L356	Y163-L167 WeakPolarHBondContact O-CB 3.22Å; Y163-L167 PolarHBondContact O-N 3.2Å; Y164-L167 PolarHBondContact O-N 3.45Å; L167-L170 WeakPolarHBondContact O-CB 3.43Å; L167-L170 PolarHBondContact O-N 3.23Å; L167-E171 WeakPolarHBondContact O-CG 3.43Å; L167-E171 PolarHBondContact O-N 3.29Å; L167-R198 HydrophobicContact CD1-CG 4.33Å; L167-I201 HydrophobicContact CB-CD1 4.43Å; L167-I201 HydrophobicContact CD1-CD1 4.42Å; L167-I352 HydrophobicContact CD2-CB 4.47Å; L167-I352 HydrophobicContact CD2-CG1 4.38Å; L167-I352 HydrophobicContact CD2-CG2 4.26Å; L167-V355 HydrophobicContact CD2-CB 3.7Å; L167-V355 HydrophobicContact CD2-CG1 3.49Å; L167-V355 VanDerWaalsContact CD2-CG1 3.49Å; L167-V355 HydrophobicContact CD2-CG2 4.3Å; L167-V355 HydrophobicContact CG-CG1 3.92Å; L167-L356 HydrophobicContact CD1-CD2 4.3Å
168	K	79.1	Confident	79.2	Confident	98 Å²	98	56 Å²	56	43%	0.426	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-48.3	177.1	-176	178.4	179.1	-179.3	0	111.6	Y164 L170 E171 D172	Y164-K168 PolarHBondContact O-N 3.1Å; K168-L170 PolarHBondContact O-N 2.91Å; K168-E171 PolarHBondContact O-N 3.34Å; K168-D172 PolarHBondContact O-N 3.17Å
169	N	83	Confident	78.7	Confident	47 Å²	47	60 Å²	60	25%	0.251	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-30.3	177.7	-69.9	-8.5	0	0	0	112	Q150 I154 H165 L173	Q150-N169 PolarHBondContact NE2-O 2.64Å; Q150-N169 VanDerWaalsContact NE2-O 3.13Å; I154-N169 HydrophobicContact CD1-CB 4.06Å; I154-N169 HydrophobicContact CG1-CB 3.61Å; H165-N169 VanDerWaalsContact O-CB 3.24Å; H165-N169 WeakPolarHBondContact O-CB 3.26Å; H165-N169 PolarHBondContact O-N 3.18Å; H165-N169 PolarHBondContact O-ND2 2.72Å; N169-L173 VanDerWaalsContact O-CB 3.25Å; N169-L173 WeakPolarHBondContact O-CB 3.24Å; N169-L173 PolarHBondContact O-N 3.05Å
170	L	82.8	Confident	78.3	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-70.6	-38.8	175.7	-173	68.7	0	0	0	112.1	I154 A166 L167 K168 L173 E174 I194 T197 R198	I154-L170 HydrophobicContact CD1-CB 4.2Å; I154-L170 HydrophobicContact CD1-CD1 4.19Å; I154-L170 HydrophobicContact CG2-CB 4.47Å; I154-L170 HydrophobicContact CG2-CD1 4.39Å; A166-L170 WeakPolarHBondContact O-CB 3.25Å; A166-L170 PolarHBondContact O-N 2.95Å; L167-L170 WeakPolarHBondContact O-CB 3.43Å; L167-L170 PolarHBondContact O-N 3.23Å; K168-L170 PolarHBondContact O-N 2.91Å; L170-L173 PolarHBondContact O-N 3.13Å; L170-E174 PolarHBondContact O-N 3.14Å; L170-I194 HydrophobicContact CD1-CG1 3.95Å; L170-I194 HydrophobicContact CD1-CG2 4.42Å; L170-I194 HydrophobicContact CD2-CG2 4.48Å; L170-I194 HydrophobicContact CG-CG2 4.4Å; L170-T197 HydrophobicContact CD2-CG2 4.19Å; L170-R198 HydrophobicContact CD2-CG 3.8Å
171	E	79.8	Confident	77.8	Confident	54 Å²	54	57.3 Å²	57.3	25%	0.252	28%	0.282	S	S	.	.	H	α-helix	trans	-67.9	-43.5	172.7	-69.5	-173.3	148.9	0	0	112	L167 K168 L173 E174 H175 V355	L167-E171 WeakPolarHBondContact O-CG 3.43Å; L167-E171 PolarHBondContact O-N 3.29Å; K168-E171 PolarHBondContact O-N 3.34Å; E171-L173 PolarHBondContact O-N 3.48Å; E171-E174 PolarHBondContact O-N 3.11Å; E171-H175 WeakPolarHBondContact O-CB 3.22Å; E171-H175 PolarHBondContact O-CD2 3.22Å; E171-H175 PolarHBondContact O-N 3.03Å; E171-V355 VanDerWaalsContact CD-CG1 3.44Å; E171-V355 WeakPolarHBondContact OE1-CG1 3.34Å
172	D	81.4	Confident	77.4	Confident	70 Å²	70	64.5 Å²	64.5	37%	0.374	30%	0.302	S	S	.	.	H	α-helix	trans	-59.5	-39.7	175.6	-70.5	-25.5	0	0	0	110.8	K168 S176	K168-D172 PolarHBondContact O-N 3.17Å; D172-S176 WeakPolarHBondContact O-CB 3.38Å; D172-S176 PolarHBondContact O-N 3Å; D172-S176 PolarHBondContact O-OG 3.37Å
173	L	80.5	Confident	77.2	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.314	C	S	.	.	I	π-helix	trans	-64.3	-45.7	175.1	178.5	66.9	0	0	0	112.1	I147 Y151 I154 N169 L170 E171 Q177 L178 I190	I147-L173 HydrophobicContact CG2-CD1 3.39Å; Y151-L173 HydrophobicContact CD2-CD2 3.89Å; I154-L173 HydrophobicContact CD1-CB 4.3Å; I154-L173 HydrophobicContact CD1-CD2 3.84Å; N169-L173 VanDerWaalsContact O-CB 3.25Å; N169-L173 WeakPolarHBondContact O-CB 3.24Å; N169-L173 PolarHBondContact O-N 3.05Å; L170-L173 PolarHBondContact O-N 3.13Å; E171-L173 PolarHBondContact O-N 3.48Å; L173-Q177 HydrophobicContact CD1-CB 4.19Å; L173-Q177 PolarHBondContact O-N 3.35Å; L173-L178 PolarHBondContact O-N 3.35Å; L173-L178 VanDerWaalsContact O-N 3.14Å; L173-I190 HydrophobicContact CD2-CG2 4.43Å
174	E	77.2	Confident	77	Confident	61 Å²	61	65.2 Å²	65.2	29%	0.285	32%	0.321	S	S	.	.	I	π-helix	trans	-67.1	-43.9	-179.5	-173.5	177.3	-149.1	0	0	112.3	L170 E171 L178 I194 R198	L170-E174 PolarHBondContact O-N 3.14Å; E171-E174 PolarHBondContact O-N 3.11Å; E174-L178 WeakPolarHBondContact O-CB 3.42Å; E174-I194 HydrophobicContact CB-CD1 4.44Å; E174-R198 IonicContact OE1-NH1 2.74Å; E174-R198 PolarHBondContact OE1-NH1 2.99Å; E174-R198 IonicContact OE2-CZ 3.7Å; E174-R198 IonicContact OE2-NH1 3.18Å; E174-R198 PolarHBondContact OE2-NH1 3.37Å; E174-R198 IonicContact OE2-NH2 2.8Å; E174-R198 PolarHBondContact OE2-NH2 2.93Å
175	H	77.3	Confident	77.3	Confident	139 Å²	139	64.6 Å²	64.6	64%	0.644	34%	0.335	S	S	*	.	I	π-helix	trans	-84.6	-35.1	-173.7	-71	-46.7	0	0	0	114.3	E171	E171-H175 WeakPolarHBondContact O-CB 3.22Å; E171-H175 PolarHBondContact O-CD2 3.22Å; E171-H175 PolarHBondContact O-N 3.03Å
176	S	77.6	Confident	77.3	Confident	84 Å²	84	62.5 Å²	62.5	59%	0.587	33%	0.325	S	S	*	.	I	π-helix	trans	-101.7	-32.6	-169.8	-51.8	0	0	0	0	113.5	D172	D172-S176 WeakPolarHBondContact O-CB 3.38Å; D172-S176 PolarHBondContact O-N 3Å; D172-S176 PolarHBondContact O-OG 3.37Å
177	Q	71.2	Confident	77.1	Confident	46 Å²	46	62.6 Å²	62.6	22%	0.215	33%	0.325	C	S	.	.	I	π-helix	trans	-114.9	-27.4	-164.8	-67.6	-177.6	-8.3	0	0	114	I147 L173 D179 L180 I181	I147-Q177 HydrophobicContact CD1-CB 4.19Å; I147-Q177 HydrophobicContact CG1-CB 4.27Å; L173-Q177 HydrophobicContact CD1-CB 4.19Å; L173-Q177 PolarHBondContact O-N 3.35Å; Q177-D179 VanDerWaalsContact C-N 3.26Å; Q177-D179 PolarHBondContact O-N 3.37Å; Q177-L180 WeakPolarHBondContact O-CB 3.36Å; Q177-L180 PolarHBondContact O-N 3.25Å; Q177-L180 VanDerWaalsContact O-N 3.11Å; Q177-I181 WeakPolarHBondContact O-CG1 3.4Å
178	L	71.7	Confident	77.1	Confident	18 Å²	18	69.4 Å²	69.4	9%	0.094	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-60.2	-33.9	-173.7	-149.3	82.7	0	0	0	113.5	L173 E174 L180 I181 I190 I191 I194	L173-L178 PolarHBondContact O-N 3.35Å; L173-L178 VanDerWaalsContact O-N 3.14Å; E174-L178 WeakPolarHBondContact O-CB 3.42Å; L178-L180 VanDerWaalsContact C-N 3.27Å; L178-L180 PolarHBondContact O-N 2.94Å; L178-I181 PolarHBondContact O-N 3.31Å; L178-I190 HydrophobicContact CD1-CG2 4.24Å; L178-I191 HydrophobicContact CD1-CG1 4.14Å; L178-I191 HydrophobicContact CD2-CD1 3.96Å; L178-I191 HydrophobicContact CD2-CG1 3.49Å; L178-I191 VanDerWaalsContact CD2-CG1 3.49Å; L178-I191 HydrophobicContact CG-CD1 4.41Å; L178-I191 HydrophobicContact CG-CG1 4.04Å; L178-I194 HydrophobicContact CD1-CD1 3.98Å
179	D	72.4	Confident	77.2	Confident	102 Å²	102	68.1 Å²	68.1	55%	0.545	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-67.9	-25.1	-179.7	-76.7	-27.4	0	0	0	113.2	Q177 I181 R182	Q177-D179 VanDerWaalsContact C-N 3.26Å; Q177-D179 PolarHBondContact O-N 3.37Å; D179-I181 PolarHBondContact O-N 3Å; D179-R182 IonicContact OD1-CZ 3.1Å; D179-R182 VanDerWaalsContact OD1-CZ 3.29Å; D179-R182 IonicContact OD1-NE 2.66Å; D179-R182 PolarHBondContact OD1-NE 2.72Å; D179-R182 IonicContact OD1-NH2 3.48Å; D179-R182 PolarHBondContact OD1-NH2 2.77Å
180	L	72.6	Confident	77.1	Confident	112 Å²	112	66.3 Å²	66.3	59%	0.586	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-71.4	-19.5	177.7	-69.4	157.8	0	0	0	112.8	Q177 L178	Q177-L180 WeakPolarHBondContact O-CB 3.36Å; Q177-L180 PolarHBondContact O-N 3.25Å; Q177-L180 VanDerWaalsContact O-N 3.11Å; L178-L180 VanDerWaalsContact C-N 3.27Å; L178-L180 PolarHBondContact O-N 2.94Å
181	I	71.1	Confident	77	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-2.1	-165.5	-6.4	167.8	0	0	0	113.5	I147 Q177 L178 D179 P183 F184 F186 S187	I147-I181 HydrophobicContact CB-CD1 3.99Å; I147-I181 HydrophobicContact CD1-CD1 3.29Å; I147-I181 HydrophobicContact CD1-CG1 3.43Å; I147-I181 VanDerWaalsContact CD1-CG1 3.43Å; I147-I181 HydrophobicContact CG1-CD1 4.15Å; I147-I181 HydrophobicContact CG2-CD1 3.24Å; Q177-I181 WeakPolarHBondContact O-CG1 3.4Å; L178-I181 PolarHBondContact O-N 3.31Å; D179-I181 PolarHBondContact O-N 3Å; I181-P183 WeakPolarHBondContact O-CD 3.44Å; I181-F184 HydrophobicContact CB-CD2 4.32Å; I181-F184 HydrophobicContact CG2-CB 4.36Å; I181-F184 HydrophobicContact CG2-CD2 3.48Å; I181-F184 VanDerWaalsContact CG2-CD2 3.48Å; I181-F184 HydrophobicContact CG2-CE2 4.15Å; I181-F184 HydrophobicContact CG2-CG 4.26Å; I181-F184 WeakPolarHBondContact O-CD2 3.33Å; I181-F184 PolarHBondContact O-N 2.8Å; I181-F186 HydrophobicContact CG2-CE2 3.73Å; I181-F186 HydrophobicContact CG2-CZ 3.49Å; I181-F186 VanDerWaalsContact CG2-CZ 3.49Å; I181-S187 VanDerWaalsContact O-CB 3.26Å; I181-S187 WeakPolarHBondContact O-CB 3.21Å; I181-S187 PolarHBondContact O-OG 3.33Å
182	R	70.4	Confident	77.1	Confident	171 Å²	171	72.8 Å²	72.8	65%	0.645	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-31	177.8	-68.8	-169.5	-173.4	-149.7	4	115.1	D179 F184	D179-R182 IonicContact OD1-CZ 3.1Å; D179-R182 VanDerWaalsContact OD1-CZ 3.29Å; D179-R182 IonicContact OD1-NE 2.66Å; D179-R182 PolarHBondContact OD1-NE 2.72Å; D179-R182 IonicContact OD1-NH2 3.48Å; D179-R182 PolarHBondContact OD1-NH2 2.77Å; R182-F184 PolarHBondContact O-N 2.91Å
183	P	76.6	Confident	77.3	Confident	113 Å²	113	72 Å²	72	73%	0.734	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.2	175.9	-24.1	35.4	0	0	0	114.9	I181	I181-P183 WeakPolarHBondContact O-CD 3.44Å
184	F	76.5	Confident	77.5	Confident	61 Å²	61	72 Å²	72	27%	0.268	37%	0.368	S	S	.	.	S	Bend	trans	-96.2	132.8	-173.5	-58.6	-82.2	0	0	0	111.7	A140 I181 R182 F186 S187	A140-F184 HydrophobicContact CB-CE1 3.84Å; A140-F184 HydrophobicContact CB-CZ 3.79Å; I181-F184 HydrophobicContact CB-CD2 4.32Å; I181-F184 HydrophobicContact CG2-CB 4.36Å; I181-F184 HydrophobicContact CG2-CD2 3.48Å; I181-F184 VanDerWaalsContact CG2-CD2 3.48Å; I181-F184 HydrophobicContact CG2-CE2 4.15Å; I181-F184 HydrophobicContact CG2-CG 4.26Å; I181-F184 WeakPolarHBondContact O-CD2 3.33Å; I181-F184 PolarHBondContact O-N 2.8Å; R182-F184 PolarHBondContact O-N 2.91Å; F184-F186 VanDerWaalsContact C-N 3.25Å; F184-F186 HydrophobicContact CB-CD1 3.67Å; F184-F186 HydrophobicContact CB-CE1 3.28Å; F184-F186 HydrophobicContact CB-CG 4.47Å; F184-F186 HydrophobicContact CB-CZ 3.79Å; F184-F186 HydrophobicContact CD1-CE1 4.05Å; F184-F186 HydrophobicContact CD2-CE1 4.42Å; F184-F186 HydrophobicContact CD2-CZ 4.39Å; F184-F186 HydrophobicContact CG-CD1 4.49Å; F184-F186 AromaticContact CG-CE1 3.68Å; F184-F186 HydrophobicContact CG-CE1 3.68Å; F184-F186 HydrophobicContact CG-CZ 4.08Å; F184-F186 PolarHBondContact O-N 3.49Å; F184-S187 WeakPolarHBondContact O-CB 3.33Å; F184-S187 PolarHBondContact O-N 3.32Å; F184-S187 PolarHBondContact O-OG 3.3Å
185	A	78.8	Confident	77.8	Confident	79 Å²	79	72.6 Å²	72.6	65%	0.653	38%	0.377	S	S	*	.	H	α-helix	trans	-58.5	-32.8	-176.7	0	0	0	0	0	114	S187 E188	A185-S187 PolarHBondContact O-N 3.12Å; A185-E188 PolarHBondContact O-N 3.46Å
186	F	80.2	Confident	78.2	Confident	56 Å²	56	70.6 Å²	70.6	25%	0.246	37%	0.366	C	S	.	.	H	α-helix	trans	-66.6	-19.9	177.2	70.1	-99	0	0	0	112.8	L148 I181 F184 E188 I189 I190	L148-F186 HydrophobicContact CD2-CD2 4.09Å; L148-F186 HydrophobicContact CD2-CE2 4.07Å; L148-F186 HydrophobicContact CG-CE2 4.4Å; I181-F186 HydrophobicContact CG2-CE2 3.73Å; I181-F186 HydrophobicContact CG2-CZ 3.49Å; I181-F186 VanDerWaalsContact CG2-CZ 3.49Å; F184-F186 VanDerWaalsContact C-N 3.25Å; F184-F186 HydrophobicContact CB-CD1 3.67Å; F184-F186 HydrophobicContact CB-CE1 3.28Å; F184-F186 HydrophobicContact CB-CG 4.47Å; F184-F186 HydrophobicContact CB-CZ 3.79Å; F184-F186 HydrophobicContact CD1-CE1 4.05Å; F184-F186 HydrophobicContact CD2-CE1 4.42Å; F184-F186 HydrophobicContact CD2-CZ 4.39Å; F184-F186 HydrophobicContact CG-CD1 4.49Å; F184-F186 AromaticContact CG-CE1 3.68Å; F184-F186 HydrophobicContact CG-CE1 3.68Å; F184-F186 HydrophobicContact CG-CZ 4.08Å; F184-F186 PolarHBondContact O-N 3.49Å; F186-E188 VanDerWaalsContact C-N 3.29Å; F186-E188 PolarHBondContact O-N 3.46Å; F186-I189 WeakPolarHBondContact O-CB 3.48Å; F186-I189 PolarHBondContact O-N 3.18Å; F186-I190 HydrophobicContact CD2-CD1 3.88Å; F186-I190 HydrophobicContact CE2-CD1 4.22Å; F186-I190 PolarHBondContact O-N 3.43Å; F186-I190 VanDerWaalsContact O-N 3.1Å
187	S	79.1	Confident	78.5	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.014	34%	0.34	C	S	.	.	H	α-helix	trans	-63.4	-36.6	175.9	72.1	0	0	0	0	111.5	I181 F184 A185 I189 I190 I191	I181-S187 VanDerWaalsContact O-CB 3.26Å; I181-S187 WeakPolarHBondContact O-CB 3.21Å; I181-S187 PolarHBondContact O-OG 3.33Å; F184-S187 WeakPolarHBondContact O-CB 3.33Å; F184-S187 PolarHBondContact O-N 3.32Å; F184-S187 PolarHBondContact O-OG 3.3Å; A185-S187 PolarHBondContact O-N 3.12Å; S187-I189 VanDerWaalsContact C-N 3.3Å; S187-I189 PolarHBondContact O-N 3Å; S187-I190 PolarHBondContact O-N 2.74Å; S187-I191 WeakPolarHBondContact O-CB 3.18Å; S187-I191 WeakPolarHBondContact O-CD1 3.33Å; S187-I191 WeakPolarHBondContact O-CG1 3.5Å; S187-I191 PolarHBondContact O-N 3.22Å
188	E	79	Confident	79.2	Confident	145 Å²	145	66.9 Å²	66.9	68%	0.678	34%	0.338	S	S	*	.	H	α-helix	trans	-63.6	-37.2	175.3	-63.8	-171.3	160.6	0	0	111.6	A185 F186 I191 H192	A185-E188 PolarHBondContact O-N 3.46Å; F186-E188 VanDerWaalsContact C-N 3.29Å; F186-E188 PolarHBondContact O-N 3.46Å; E188-I191 PolarHBondContact O-N 3.5Å; E188-H192 WeakPolarHBondContact O-CB 3.48Å; E188-H192 PolarHBondContact O-N 3.42Å
189	I	81.2	Confident	79.9	Confident	70 Å²	70	69.6 Å²	69.6	36%	0.359	36%	0.355	S	S	.	.	H	α-helix	trans	-64.8	-44.4	175.9	-56.3	175.8	0	0	0	110.2	F186 S187 H192 R193	F186-I189 WeakPolarHBondContact O-CB 3.48Å; F186-I189 PolarHBondContact O-N 3.18Å; S187-I189 VanDerWaalsContact C-N 3.3Å; S187-I189 PolarHBondContact O-N 3Å; I189-H192 PolarHBondContact O-N 3.3Å; I189-R193 WeakPolarHBondContact O-CB 3.35Å; I189-R193 WeakPolarHBondContact O-CG 3.38Å; I189-R193 PolarHBondContact O-N 2.96Å
190	I	82.1	Confident	80.5	Confident	9 Å²	9	69.9 Å²	69.9	5%	0.046	35%	0.349	C	S	.	.	H	α-helix	trans	-63.5	-48	177.4	-64.8	173.4	0	0	0	109.9	L148 Y151 L173 L178 F186 S187 H192 R193 I194	L148-I190 HydrophobicContact CD2-CD1 4.22Å; Y151-I190 HydrophobicContact CD2-CG2 4.25Å; Y151-I190 HydrophobicContact CE2-CG2 4.38Å; L173-I190 HydrophobicContact CD2-CG2 4.43Å; L178-I190 HydrophobicContact CD1-CG2 4.24Å; F186-I190 HydrophobicContact CD2-CD1 3.88Å; F186-I190 HydrophobicContact CE2-CD1 4.22Å; F186-I190 PolarHBondContact O-N 3.43Å; F186-I190 VanDerWaalsContact O-N 3.1Å; S187-I190 PolarHBondContact O-N 2.74Å; I190-H192 VanDerWaalsContact C-N 3.28Å; I190-H192 PolarHBondContact O-N 2.91Å; I190-R193 CarbonylContact O-C 3.59Å; I190-R193 PolarHBondContact O-N 2.99Å; I190-I194 HydrophobicContact CG2-CD1 4.11Å; I190-I194 HydrophobicContact CG2-CG1 4.27Å; I190-I194 WeakPolarHBondContact O-CG1 3.48Å; I190-I194 PolarHBondContact O-N 3.14Å
191	I	80.7	Confident	81.2	Confident	73 Å²	73	64.5 Å²	64.5	37%	0.374	32%	0.321	S	S	.	.	H	α-helix	trans	-54.3	-46	176.9	-70.3	163.9	0	0	0	110.9	L178 S187 E188 R193 P195	L178-I191 HydrophobicContact CD1-CG1 4.14Å; L178-I191 HydrophobicContact CD2-CD1 3.96Å; L178-I191 HydrophobicContact CD2-CG1 3.49Å; L178-I191 VanDerWaalsContact CD2-CG1 3.49Å; L178-I191 HydrophobicContact CG-CD1 4.41Å; L178-I191 HydrophobicContact CG-CG1 4.04Å; S187-I191 WeakPolarHBondContact O-CB 3.18Å; S187-I191 WeakPolarHBondContact O-CD1 3.33Å; S187-I191 WeakPolarHBondContact O-CG1 3.5Å; S187-I191 PolarHBondContact O-N 3.22Å; E188-I191 PolarHBondContact O-N 3.5Å; I191-R193 VanDerWaalsContact C-N 3.33Å; I191-R193 PolarHBondContact O-N 3.39Å; I191-P195 WeakPolarHBondContact O-CD 3.45Å
192	H	82.4	Confident	81.9	Confident	117 Å²	117	66 Å²	66	54%	0.542	33%	0.327	S	S	.	.	H	α-helix	trans	-68.7	-29.9	178.9	-176.6	-100.5	0	0	0	113.2	E188 I189 I190	E188-H192 WeakPolarHBondContact O-CB 3.48Å; E188-H192 PolarHBondContact O-N 3.42Å; I189-H192 PolarHBondContact O-N 3.3Å; I190-H192 VanDerWaalsContact C-N 3.28Å; I190-H192 PolarHBondContact O-N 2.91Å
193	R	84.3	Confident	82.7	Confident	53 Å²	53	61.8 Å²	61.8	20%	0.2	32%	0.318	C	S	.	.	H	α-helix	trans	-83.9	-23	178.9	-76.6	-176.8	170.4	-147.6	-2.9	114.2	I189 I190 I191 K196 T197 D287	I189-R193 WeakPolarHBondContact O-CB 3.35Å; I189-R193 WeakPolarHBondContact O-CG 3.38Å; I189-R193 PolarHBondContact O-N 2.96Å; I190-R193 CarbonylContact O-C 3.59Å; I190-R193 PolarHBondContact O-N 2.99Å; I191-R193 VanDerWaalsContact C-N 3.33Å; I191-R193 PolarHBondContact O-N 3.39Å; R193-K196 PolarHBondContact O-N 3.41Å; R193-T197 WeakPolarHBondContact O-CB 3.48Å; R193-T197 PolarHBondContact O-N 3.24Å; R193-T197 PolarHBondContact O-OG1 2.87Å; R193-D287 IonicContact NH2-OD1 3.72Å; R193-D287 PolarHBondContact NH2-OD1 2.93Å
194	I	85	Confident	83.2	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-54.6	-51.8	178.3	-73.6	164.5	0	0	0	111.3	L170 E174 L178 I190 K196 T197 R198	L170-I194 HydrophobicContact CD1-CG1 3.95Å; L170-I194 HydrophobicContact CD1-CG2 4.42Å; L170-I194 HydrophobicContact CD2-CG2 4.48Å; L170-I194 HydrophobicContact CG-CG2 4.4Å; E174-I194 HydrophobicContact CB-CD1 4.44Å; L178-I194 HydrophobicContact CD1-CD1 3.98Å; I190-I194 HydrophobicContact CG2-CD1 4.11Å; I190-I194 HydrophobicContact CG2-CG1 4.27Å; I190-I194 WeakPolarHBondContact O-CG1 3.48Å; I190-I194 PolarHBondContact O-N 3.14Å; I194-K196 PolarHBondContact O-N 3.45Å; I194-T197 PolarHBondContact O-N 3.01Å; I194-R198 PolarHBondContact O-N 3.31Å
195	P	83	Confident	83.7	Confident	72 Å²	72	54.5 Å²	54.5	47%	0.468	28%	0.278	S	S	.	.	H	α-helix	trans	-58.8	-44.9	175.9	-24.5	33.1	0	0	0	112.9	I191 T197 R198 T199	I191-P195 WeakPolarHBondContact O-CD 3.45Å; P195-T197 VanDerWaalsContact C-N 3.27Å; P195-T197 PolarHBondContact O-N 3.22Å; P195-R198 WeakPolarHBondContact O-CB 3.38Å; P195-R198 PolarHBondContact O-N 2.91Å; P195-T199 PolarHBondContact O-N 3.18Å; P195-T199 PolarHBondContact O-OG1 2.89Å; P195-T199 VanDerWaalsContact O-OG1 3.06Å
196	K	86	Confident	84.1	Confident	97 Å²	97	52.3 Å²	52.3	42%	0.422	26%	0.255	S	S	.	.	H	α-helix	trans	-59.8	-39.5	177.3	-67.4	-173.9	175.6	-173.5	0	111.6	R193 I194 T199 R200 D287	R193-K196 PolarHBondContact O-N 3.41Å; I194-K196 PolarHBondContact O-N 3.45Å; K196-T199 PolarHBondContact O-N 3.25Å; K196-R200 WeakPolarHBondContact O-CB 3.31Å; K196-R200 PolarHBondContact O-N 2.94Å; K196-D287 IonicContact NZ-OD2 3.18Å; K196-D287 PolarHBondContact NZ-OD2 3.43Å
197	T	85.1	Confident	84.5	Confident	6 Å²	6	54.5 Å²	54.5	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-68.6	-42.4	179.4	-52.3	0	0	0	0	111	I158 L170 R193 I194 P195 R200 I201	I158-T197 HydrophobicContact CD1-CG2 3.36Å; L170-T197 HydrophobicContact CD2-CG2 4.19Å; R193-T197 WeakPolarHBondContact O-CB 3.48Å; R193-T197 PolarHBondContact O-N 3.24Å; R193-T197 PolarHBondContact O-OG1 2.87Å; I194-T197 PolarHBondContact O-N 3.01Å; P195-T197 VanDerWaalsContact C-N 3.27Å; P195-T197 PolarHBondContact O-N 3.22Å; T197-R200 WeakPolarHBondContact O-CB 3.42Å; T197-R200 PolarHBondContact O-N 2.84Å; T197-I201 HydrophobicContact CG2-CD1 4.42Å; T197-I201 WeakPolarHBondContact O-CG1 3.1Å; T197-I201 PolarHBondContact O-N 3.18Å
198	R	85.7	Confident	84.9	Confident	47 Å²	47	56.8 Å²	56.8	18%	0.177	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-47.7	171.4	-76.5	-178.3	165	130.2	0.2	111.6	L167 L170 E174 I194 P195 R200 I201 K202 L356	L167-R198 HydrophobicContact CD1-CG 4.33Å; L170-R198 HydrophobicContact CD2-CG 3.8Å; E174-R198 IonicContact OE1-NH1 2.74Å; E174-R198 PolarHBondContact OE1-NH1 2.99Å; E174-R198 IonicContact OE2-CZ 3.7Å; E174-R198 IonicContact OE2-NH1 3.18Å; E174-R198 PolarHBondContact OE2-NH1 3.37Å; E174-R198 IonicContact OE2-NH2 2.8Å; E174-R198 PolarHBondContact OE2-NH2 2.93Å; I194-R198 PolarHBondContact O-N 3.31Å; P195-R198 WeakPolarHBondContact O-CB 3.38Å; P195-R198 PolarHBondContact O-N 2.91Å; R198-R200 VanDerWaalsContact C-N 3.31Å; R198-R200 PolarHBondContact O-N 3.39Å; R198-I201 PolarHBondContact O-N 3.19Å; R198-K202 WeakPolarHBondContact O-CB 3.48Å; R198-K202 PolarHBondContact O-N 3.28Å; R198-L356 HydrophobicContact CB-CD2 4.15Å; R198-L356 HydrophobicContact CG-CD2 4.07Å
199	T	85.3	Confident	85.4	Confident	75 Å²	75	49.9 Å²	49.9	46%	0.46	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-38.6	176.5	-51.1	0	0	0	0	111.8	P195 K196 K202 N203	P195-T199 PolarHBondContact O-N 3.18Å; P195-T199 PolarHBondContact O-OG1 2.89Å; P195-T199 VanDerWaalsContact O-OG1 3.06Å; K196-T199 PolarHBondContact O-N 3.25Å; T199-K202 PolarHBondContact O-N 3.01Å; T199-N203 WeakPolarHBondContact O-CB 3.26Å; T199-N203 VanDerWaalsContact O-CG 3.23Å; T199-N203 PolarHBondContact O-N 2.96Å; T199-N203 PolarHBondContact O-ND2 2.96Å
200	R	86.3	Confident	85.8	Confident	107 Å²	107	50.1 Å²	50.1	40%	0.404	25%	0.252	S	S	.	.	H	α-helix	trans	-62.9	-44.5	175.7	-170.7	176.5	66.5	179	-2.8	111.7	E155 K196 T197 R198 N203 A204	E155-R200 IonicContact OE1-CZ 2.93Å; E155-R200 IonicContact OE1-NH2 2.75Å; E155-R200 PolarHBondContact OE1-NH2 3.47Å; E155-R200 IonicContact OE2-CZ 2.96Å; E155-R200 IonicContact OE2-NH1 3.09Å; E155-R200 PolarHBondContact OE2-NH1 2.84Å; E155-R200 VanDerWaalsContact OE2-NH1 3.14Å; E155-R200 IonicContact OE2-NH2 2.75Å; E155-R200 PolarHBondContact OE2-NH2 2.98Å; K196-R200 WeakPolarHBondContact O-CB 3.31Å; K196-R200 PolarHBondContact O-N 2.94Å; T197-R200 WeakPolarHBondContact O-CB 3.42Å; T197-R200 PolarHBondContact O-N 2.84Å; R198-R200 VanDerWaalsContact C-N 3.31Å; R198-R200 PolarHBondContact O-N 3.39Å; R200-N203 PolarHBondContact O-N 3.42Å; R200-A204 WeakPolarHBondContact O-CB 3.27Å; R200-A204 PolarHBondContact O-N 2.83Å
201	I	86.5	Confident	86.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-44.4	174.9	-68.5	169.2	0	0	0	110.7	I158 Y163 A166 L167 T197 R198 N203 A204 S205 I352	I158-I201 HydrophobicContact CD1-CD1 3.9Å; I158-I201 HydrophobicContact CD1-CG1 3.98Å; I158-I201 HydrophobicContact CG1-CD1 4.12Å; I158-I201 HydrophobicContact CG1-CG1 4.04Å; Y163-I201 HydrophobicContact CD1-CG2 4.49Å; Y163-I201 HydrophobicContact CG-CG2 4.44Å; A166-I201 HydrophobicContact CB-CD1 4.07Å; L167-I201 HydrophobicContact CB-CD1 4.43Å; L167-I201 HydrophobicContact CD1-CD1 4.42Å; T197-I201 HydrophobicContact CG2-CD1 4.42Å; T197-I201 WeakPolarHBondContact O-CG1 3.1Å; T197-I201 PolarHBondContact O-N 3.18Å; R198-I201 PolarHBondContact O-N 3.19Å; I201-N203 PolarHBondContact O-N 2.9Å; I201-A204 PolarHBondContact O-N 3.45Å; I201-S205 WeakPolarHBondContact O-CB 3.38Å; I201-S205 PolarHBondContact O-N 3.46Å; I201-S205 PolarHBondContact O-OG 2.95Å; I201-I352 HydrophobicContact CG2-CD1 4.11Å; I201-I352 HydrophobicContact CG2-CG1 4.5Å; I201-I352 HydrophobicContact CG2-CG2 4.06Å
202	K	86.1	Confident	86.6	Confident	30 Å²	30	52.4 Å²	52.4	13%	0.13	27%	0.265	C	S	.	.	H	α-helix	trans	-56.4	-52.4	176.3	-178.5	178.4	178.1	172.7	0	110.8	R198 T199 A204 S205 L206 H353 L356 E358 E361	R198-K202 WeakPolarHBondContact O-CB 3.48Å; R198-K202 PolarHBondContact O-N 3.28Å; T199-K202 PolarHBondContact O-N 3.01Å; K202-A204 PolarHBondContact O-N 3.4Å; K202-S205 PolarHBondContact O-N 3.27Å; K202-S205 PolarHBondContact O-OG 3.19Å; K202-L206 HydrophobicContact CG-CD1 4.34Å; K202-L206 WeakPolarHBondContact O-CG 3.38Å; K202-L206 PolarHBondContact O-N 3.45Å; K202-H353 WeakPolarHBondContact CE-NE2 3.34Å; K202-L356 HydrophobicContact CB-CD1 4.06Å; K202-L356 HydrophobicContact CD-CD1 4.38Å; K202-L356 HydrophobicContact CG-CD1 4.39Å; K202-E358 WeakPolarHBondContact CE-OE2 3.2Å; K202-E358 IonicContact NZ-OE1 3.28Å; K202-E358 IonicContact NZ-OE2 3.81Å; K202-E358 PolarHBondContact NZ-OE2 3.32Å; K202-E361 IonicContact NZ-OE1 3.29Å; K202-E361 IonicContact NZ-OE2 3.6Å; K202-E361 PolarHBondContact NZ-OE2 3.45Å
203	N	87.4	Confident	87	Confident	84 Å²	84	47.1 Å²	47.1	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-45.7	-179.5	-67.4	-12.5	0	0	0	111.8	T199 R200 I201 S205 L206 D207	T199-N203 WeakPolarHBondContact O-CB 3.26Å; T199-N203 VanDerWaalsContact O-CG 3.23Å; T199-N203 PolarHBondContact O-N 2.96Å; T199-N203 PolarHBondContact O-ND2 2.96Å; R200-N203 PolarHBondContact O-N 3.42Å; I201-N203 PolarHBondContact O-N 2.9Å; N203-S205 VanDerWaalsContact C-N 3.28Å; N203-S205 PolarHBondContact O-N 2.9Å; N203-L206 WeakPolarHBondContact O-CB 3.3Å; N203-L206 PolarHBondContact O-N 3.02Å; N203-D207 PolarHBondContact O-N 3.27Å
204	A	86.8	Confident	87.2	Confident	19 Å²	19	48 Å²	48	16%	0.157	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-37.4	177.3	0	0	0	0	0	112.5	Y163 R200 I201 K202 L206 D207 E208	Y163-A204 HydrophobicContact CD1-CB 4.49Å; Y163-A204 HydrophobicContact CE1-CB 3.77Å; Y163-A204 HydrophobicContact CE2-CB 4.23Å; R200-A204 WeakPolarHBondContact O-CB 3.27Å; R200-A204 PolarHBondContact O-N 2.83Å; I201-A204 PolarHBondContact O-N 3.45Å; K202-A204 PolarHBondContact O-N 3.4Å; A204-L206 VanDerWaalsContact C-N 3.33Å; A204-L206 PolarHBondContact O-N 2.83Å; A204-D207 PolarHBondContact O-N 2.93Å; A204-E208 PolarHBondContact O-N 3.21Å
205	S	86.6	Confident	87.3	Confident	1 Å²	1	53 Å²	53	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-68.1	-32	174.8	74.7	0	0	0	0	113.3	I201 K202 N203 L209	I201-S205 WeakPolarHBondContact O-CB 3.38Å; I201-S205 PolarHBondContact O-N 3.46Å; I201-S205 PolarHBondContact O-OG 2.95Å; K202-S205 PolarHBondContact O-N 3.27Å; K202-S205 PolarHBondContact O-OG 3.19Å; N203-S205 VanDerWaalsContact C-N 3.28Å; N203-S205 PolarHBondContact O-N 2.9Å; S205-L209 WeakPolarHBondContact O-CB 3.43Å; S205-L209 PolarHBondContact O-N 2.82Å
206	L	88	Confident	87.5	Confident	34 Å²	34	49.6 Å²	49.6	18%	0.178	25%	0.245	C	C	.	.	H	α-helix	trans	-74.1	-30.6	174.3	-70	172.2	0	0	0	111.9	K202 N203 A204 L209 T210	K202-L206 HydrophobicContact CG-CD1 4.34Å; K202-L206 WeakPolarHBondContact O-CG 3.38Å; K202-L206 PolarHBondContact O-N 3.45Å; N203-L206 WeakPolarHBondContact O-CB 3.3Å; N203-L206 PolarHBondContact O-N 3.02Å; A204-L206 VanDerWaalsContact C-N 3.33Å; A204-L206 PolarHBondContact O-N 2.83Å; L206-L209 HydrophobicContact CD2-CD2 4.17Å; L206-L209 WeakPolarHBondContact O-CB 3.37Å; L206-L209 PolarHBondContact O-N 3.34Å; L206-T210 WeakPolarHBondContact O-CB 3.33Å; L206-T210 PolarHBondContact O-N 3.2Å; L206-T210 PolarHBondContact O-OG1 2.93Å
207	D	87.3	Confident	87.4	Confident	102 Å²	102	50.3 Å²	50.3	55%	0.545	25%	0.245	S	C	.	.	H	α-helix	trans	-67.5	-47.7	173.1	-65.4	-25.8	0	0	0	110.4	N203 A204 L209 T210 D211	N203-D207 PolarHBondContact O-N 3.27Å; A204-D207 PolarHBondContact O-N 2.93Å; D207-L209 VanDerWaalsContact C-N 3.26Å; D207-L209 PolarHBondContact O-N 3.42Å; D207-T210 WeakPolarHBondContact O-CA 3.45Å; D207-T210 WeakPolarHBondContact O-CB 2.9Å; D207-T210 PolarHBondContact O-N 3.26Å; D207-D211 PolarHBondContact O-N 2.94Å
208	E	88	Confident	87.3	Confident	50 Å²	50	55.9 Å²	55.9	23%	0.234	27%	0.268	C	S	.	.	H	α-helix	trans	-57.5	-40	172.6	-72.2	-168.1	162.1	0	0	112	Y163 A204 T210 D211 F212 P345 R348	Y163-E208 HydrophobicContact CE2-CG 4.32Å; Y163-E208 VanDerWaalsContact CE2-OE1 3.31Å; Y163-E208 WeakPolarHBondContact CE2-OE1 3.48Å; A204-E208 PolarHBondContact O-N 3.21Å; E208-T210 VanDerWaalsContact C-N 3.32Å; E208-D211 PolarHBondContact O-N 2.72Å; E208-F212 WeakPolarHBondContact O-CB 3.43Å; E208-F212 PolarHBondContact O-N 3.18Å; E208-P345 HydrophobicContact CB-CB 4.5Å; E208-R348 IonicContact OE1-NH1 2.77Å; E208-R348 IonicContact OE2-CZ 3.02Å; E208-R348 IonicContact OE2-NH1 3.64Å; E208-R348 PolarHBondContact OE2-NH1 3.38Å
209	L	89.5	Confident	87.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.7	-39	174.8	-178.8	69.5	0	0	0	111.7	S205 L206 D207 F212 L213 V346 F362 Y366	S205-L209 WeakPolarHBondContact O-CB 3.43Å; S205-L209 PolarHBondContact O-N 2.82Å; L206-L209 HydrophobicContact CD2-CD2 4.17Å; L206-L209 WeakPolarHBondContact O-CB 3.37Å; L206-L209 PolarHBondContact O-N 3.34Å; D207-L209 VanDerWaalsContact C-N 3.26Å; D207-L209 PolarHBondContact O-N 3.42Å; L209-F212 HydrophobicContact CD1-CD1 4.29Å; L209-F212 WeakPolarHBondContact O-CB 3.47Å; L209-F212 PolarHBondContact O-N 3.3Å; L209-L213 HydrophobicContact CG-CD1 4.24Å; L209-L213 HydrophobicContact CG-CG 4.43Å; L209-L213 WeakPolarHBondContact O-CB 3.37Å; L209-L213 VanDerWaalsContact O-CG 3.22Å; L209-L213 WeakPolarHBondContact O-CG 3.05Å; L209-L213 PolarHBondContact O-N 3.12Å; L209-V346 HydrophobicContact CD1-CG2 4Å; L209-F362 HydrophobicContact CD1-CE2 4.33Å; L209-F362 HydrophobicContact CD2-CD2 4.35Å; L209-F362 HydrophobicContact CD2-CE2 3.73Å; L209-Y366 HydrophobicContact CD1-CD2 4.24Å
210	T	89.2	Confident	87.3	Confident	75 Å²	75	51.1 Å²	51.1	46%	0.46	24%	0.244	S	C	.	.	H	α-helix	trans	-66.8	-42.6	-179.8	-59.3	0	0	0	0	111	L206 D207 E208 L213 E214	L206-T210 WeakPolarHBondContact O-CB 3.33Å; L206-T210 PolarHBondContact O-N 3.2Å; L206-T210 PolarHBondContact O-OG1 2.93Å; D207-T210 WeakPolarHBondContact O-CA 3.45Å; D207-T210 WeakPolarHBondContact O-CB 2.9Å; D207-T210 PolarHBondContact O-N 3.26Å; E208-T210 VanDerWaalsContact C-N 3.32Å; T210-L213 PolarHBondContact O-N 2.79Å; T210-E214 PolarHBondContact O-N 3.38Å; T210-E214 VanDerWaalsContact O-N 3.11Å
211	D	89.2	Confident	87.2	Confident	121 Å²	121	48 Å²	48	65%	0.647	24%	0.235	S	C	*	.	H	α-helix	trans	-62.8	-42.7	174.1	-73.1	-20.5	0	0	0	111.6	D207 E208 L213 E214 Y215	D207-D211 PolarHBondContact O-N 2.94Å; E208-D211 PolarHBondContact O-N 2.72Å; D211-L213 PolarHBondContact O-N 3.38Å; D211-E214 PolarHBondContact O-N 3.37Å; D211-Y215 WeakPolarHBondContact O-CB 3.42Å; D211-Y215 PolarHBondContact O-N 2.61Å
212	F	91.1	Very high	87.1	Confident	8 Å²	8	48.8 Å²	48.8	4%	0.035	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-44.6	173.1	167.8	-90.4	0	0	0	112.3	E208 L209 E214 Y215 I216 V341 D342 F343 P345 V346	E208-F212 WeakPolarHBondContact O-CB 3.43Å; E208-F212 PolarHBondContact O-N 3.18Å; L209-F212 HydrophobicContact CD1-CD1 4.29Å; L209-F212 WeakPolarHBondContact O-CB 3.47Å; L209-F212 PolarHBondContact O-N 3.3Å; F212-E214 VanDerWaalsContact C-N 3.27Å; F212-E214 PolarHBondContact O-N 2.86Å; F212-Y215 WeakPolarHBondContact O-CB 3.5Å; F212-Y215 PolarHBondContact O-N 2.81Å; F212-I216 HydrophobicContact CD1-CD1 4.38Å; F212-I216 HydrophobicContact CD1-CG1 4.43Å; F212-I216 HydrophobicContact CD2-CD1 4.39Å; F212-I216 HydrophobicContact CD2-CG1 4.25Å; F212-I216 HydrophobicContact CE1-CD1 3.47Å; F212-I216 VanDerWaalsContact CE1-CD1 3.47Å; F212-I216 HydrophobicContact CE1-CG1 3.97Å; F212-I216 HydrophobicContact CE2-CD1 3.5Å; F212-I216 HydrophobicContact CE2-CG1 3.79Å; F212-I216 HydrophobicContact CZ-CD1 2.99Å; F212-I216 HydrophobicContact CZ-CG1 3.69Å; F212-I216 PolarHBondContact O-N 2.88Å; F212-V341 HydrophobicContact CE2-CG1 3.99Å; F212-D342 VanDerWaalsContact CE2-O 3.27Å; F212-D342 WeakPolarHBondContact CE2-O 3.37Å; F212-F343 HydrophobicContact CE2-CD1 4.31Å; F212-F343 AromaticContact CZ-CD1 3.87Å; F212-F343 HydrophobicContact CZ-CD1 3.87Å; F212-F343 HydrophobicContact CZ-CE1 4.24Å; F212-P345 HydrophobicContact CB-CB 3.94Å; F212-P345 HydrophobicContact CB-CG 4.24Å; F212-P345 HydrophobicContact CD2-CB 4.35Å; F212-P345 HydrophobicContact CD2-CG 4.23Å; F212-P345 HydrophobicContact CG-CB 4.26Å; F212-V346 HydrophobicContact CD1-CG2 3.55Å; F212-V346 HydrophobicContact CD2-CG2 4.41Å; F212-V346 HydrophobicContact CE1-CG2 3.05Å; F212-V346 HydrophobicContact CE2-CG2 3.99Å; F212-V346 HydrophobicContact CG-CG2 4.19Å; F212-V346 HydrophobicContact CZ-CG2 3.24Å
213	L	91.5	Very high	87.2	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.037	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-33.2	179.4	-76	174.7	0	0	0	112.1	L209 T210 D211 R217 Y366 Q369 R370 Q373	L209-L213 HydrophobicContact CG-CD1 4.24Å; L209-L213 HydrophobicContact CG-CG 4.43Å; L209-L213 WeakPolarHBondContact O-CB 3.37Å; L209-L213 VanDerWaalsContact O-CG 3.22Å; L209-L213 WeakPolarHBondContact O-CG 3.05Å; L209-L213 PolarHBondContact O-N 3.12Å; T210-L213 PolarHBondContact O-N 2.79Å; D211-L213 PolarHBondContact O-N 3.38Å; L213-R217 WeakPolarHBondContact O-CB 3.49Å; L213-R217 PolarHBondContact O-N 2.95Å; L213-Y366 HydrophobicContact CD2-CD2 4.42Å; L213-Y366 HydrophobicContact CD2-CE2 3.95Å; L213-Q369 HydrophobicContact CD1-CB 3.75Å; L213-Q369 HydrophobicContact CD1-CG 4.13Å; L213-R370 VanDerWaalsContact CD2-CD 3.47Å; L213-R370 HydrophobicContact CD2-CG 4.14Å; L213-Q373 PolarHBondContact O-NE2 3.38Å
214	E	87.3	Confident	87.2	Confident	72 Å²	72	43.7 Å²	43.7	34%	0.336	21%	0.213	S	C	.	.	H	α-helix	trans	-76.5	-37.1	174.1	179.8	57.4	-162	0	0	112.3	T210 D211 F212 R217 K218	T210-E214 PolarHBondContact O-N 3.38Å; T210-E214 VanDerWaalsContact O-N 3.11Å; D211-E214 PolarHBondContact O-N 3.37Å; F212-E214 VanDerWaalsContact C-N 3.27Å; F212-E214 PolarHBondContact O-N 2.86Å; E214-R217 PolarHBondContact O-N 3.28Å; E214-R217 IonicContact OE1-CZ 3.13Å; E214-R217 IonicContact OE1-NE 2.83Å; E214-R217 IonicContact OE1-NH2 2.81Å; E214-R217 PolarHBondContact OE1-NH2 3.28Å; E214-R217 IonicContact OE2-CZ 2.61Å; E214-R217 IonicContact OE2-NE 3Å; E214-R217 PolarHBondContact OE2-NE 2.91Å; E214-R217 IonicContact OE2-NH2 3.27Å; E214-R217 PolarHBondContact OE2-NH2 3.43Å; E214-K218 VanDerWaalsContact OE1-CE 3.25Å; E214-K218 WeakPolarHBondContact OE1-CE 3.49Å; E214-K218 IonicContact OE1-NZ 3.91Å
215	Y	88.2	Confident	87.2	Confident	106 Å²	106	43.2 Å²	43.2	42%	0.416	21%	0.209	S	C	.	.	H	α-helix	trans	-60.6	-50.7	173.3	173.9	-99	0	0	0	111.5	D211 F212 R217 K218 N219 L340 V341	D211-Y215 WeakPolarHBondContact O-CB 3.42Å; D211-Y215 PolarHBondContact O-N 2.61Å; F212-Y215 WeakPolarHBondContact O-CB 3.5Å; F212-Y215 PolarHBondContact O-N 2.81Å; Y215-R217 VanDerWaalsContact C-N 3.31Å; Y215-R217 PolarHBondContact O-N 3.27Å; Y215-K218 PolarHBondContact O-N 3.31Å; Y215-N219 WeakPolarHBondContact CD2-ND2 3.42Å; Y215-N219 VanDerWaalsContact CE1-ND2 3.33Å; Y215-N219 WeakPolarHBondContact CE1-ND2 3.47Å; Y215-N219 WeakPolarHBondContact CE2-ND2 3.46Å; Y215-N219 PolarHBondContact O-N 3.43Å; Y215-N219 PolarHBondContact O-ND2 2.96Å; Y215-N219 PolarHBondContact OH-ND2 3.47Å; Y215-L340 PolarHBondContact OH-O 3.36Å; Y215-L340 VanDerWaalsContact OH-O 3.05Å; Y215-V341 HydrophobicContact CE1-CG1 4.44Å; Y215-V341 HydrophobicContact CE1-CG2 4.42Å
216	I	86.9	Confident	87.1	Confident	1 Å²	1	45 Å²	45	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-41.1	178.1	-75.6	-151.1	0	0	0	111.1	F212 K218 N219 S220 V341 F343 V404	F212-I216 HydrophobicContact CD1-CD1 4.38Å; F212-I216 HydrophobicContact CD1-CG1 4.43Å; F212-I216 HydrophobicContact CD2-CD1 4.39Å; F212-I216 HydrophobicContact CD2-CG1 4.25Å; F212-I216 HydrophobicContact CE1-CD1 3.47Å; F212-I216 VanDerWaalsContact CE1-CD1 3.47Å; F212-I216 HydrophobicContact CE1-CG1 3.97Å; F212-I216 HydrophobicContact CE2-CD1 3.5Å; F212-I216 HydrophobicContact CE2-CG1 3.79Å; F212-I216 HydrophobicContact CZ-CD1 2.99Å; F212-I216 HydrophobicContact CZ-CG1 3.69Å; F212-I216 PolarHBondContact O-N 2.88Å; I216-K218 PolarHBondContact O-N 3.13Å; I216-K218 VanDerWaalsContact O-N 3.1Å; I216-N219 PolarHBondContact O-N 3.19Å; I216-N219 VanDerWaalsContact O-N 3.09Å; I216-S220 WeakPolarHBondContact CG2-OG 3.48Å; I216-S220 WeakPolarHBondContact O-CB 3.48Å; I216-S220 PolarHBondContact O-N 3.26Å; I216-S220 PolarHBondContact O-OG 3.48Å; I216-V341 HydrophobicContact CD1-CG1 3.72Å; I216-V341 HydrophobicContact CG1-CG1 3.99Å; I216-F343 HydrophobicContact CD1-CE1 4.21Å; I216-V404 HydrophobicContact CD1-CG1 3.55Å; I216-V404 HydrophobicContact CD1-CG2 4.37Å; I216-V404 HydrophobicContact CG2-CB 4.5Å; I216-V404 HydrophobicContact CG2-CG1 3.97Å; I216-V404 HydrophobicContact CG2-CG2 4.13Å
217	R	84.1	Confident	87	Confident	112 Å²	112	43.6 Å²	43.6	42%	0.423	21%	0.211	S	C	.	.	H	α-helix	trans	-53.6	-36	180	-169.7	-179.2	70.3	84.8	0.9	112.6	L213 E214 Y215	L213-R217 WeakPolarHBondContact O-CB 3.49Å; L213-R217 PolarHBondContact O-N 2.95Å; E214-R217 PolarHBondContact O-N 3.28Å; E214-R217 IonicContact OE1-CZ 3.13Å; E214-R217 IonicContact OE1-NE 2.83Å; E214-R217 IonicContact OE1-NH2 2.81Å; E214-R217 PolarHBondContact OE1-NH2 3.28Å; E214-R217 IonicContact OE2-CZ 2.61Å; E214-R217 IonicContact OE2-NE 3Å; E214-R217 PolarHBondContact OE2-NE 2.91Å; E214-R217 IonicContact OE2-NH2 3.27Å; E214-R217 PolarHBondContact OE2-NH2 3.43Å; Y215-R217 VanDerWaalsContact C-N 3.31Å; Y215-R217 PolarHBondContact O-N 3.27Å
218	K	81.7	Confident	87.1	Confident	123 Å²	123	39 Å²	39	54%	0.535	19%	0.186	S	C	.	.	H	α-helix	trans	-78.6	-41.1	177.9	-66.2	175.1	-176.2	167.6	0	112.6	E214 Y215 I216	E214-K218 VanDerWaalsContact OE1-CE 3.25Å; E214-K218 WeakPolarHBondContact OE1-CE 3.49Å; E214-K218 IonicContact OE1-NZ 3.91Å; Y215-K218 PolarHBondContact O-N 3.31Å; I216-K218 PolarHBondContact O-N 3.13Å; I216-K218 VanDerWaalsContact O-N 3.1Å
219	N	84.7	Confident	86.9	Confident	18 Å²	18	39.3 Å²	39.3	10%	0.096	19%	0.185	C	C	.	.	H	α-helix	trans	-82.3	-17.9	-177	-68.6	-50.8	0	0	0	113.8	Y215 I216 I221 V222 L223	Y215-N219 WeakPolarHBondContact CD2-ND2 3.42Å; Y215-N219 VanDerWaalsContact CE1-ND2 3.33Å; Y215-N219 WeakPolarHBondContact CE1-ND2 3.47Å; Y215-N219 WeakPolarHBondContact CE2-ND2 3.46Å; Y215-N219 PolarHBondContact O-N 3.43Å; Y215-N219 PolarHBondContact O-ND2 2.96Å; Y215-N219 PolarHBondContact OH-ND2 3.47Å; I216-N219 PolarHBondContact O-N 3.19Å; I216-N219 VanDerWaalsContact O-N 3.09Å; N219-I221 VanDerWaalsContact C-N 3.28Å; N219-I221 PolarHBondContact O-N 2.82Å; N219-V222 WeakPolarHBondContact O-CB 3.19Å; N219-V222 PolarHBondContact O-N 2.84Å; N219-L223 PolarHBondContact O-N 3.05Å
220	S	86.8	Confident	86.6	Confident	3 Å²	3	40 Å²	40	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-54.6	-44.7	176.2	-78.5	0	0	0	0	111.2	I216 V222 L223 G224 G400	I216-S220 WeakPolarHBondContact CG2-OG 3.48Å; I216-S220 WeakPolarHBondContact O-CB 3.48Å; I216-S220 PolarHBondContact O-N 3.26Å; I216-S220 PolarHBondContact O-OG 3.48Å; S220-V222 PolarHBondContact O-N 2.9Å; S220-L223 PolarHBondContact O-N 3.31Å; S220-L223 VanDerWaalsContact O-N 3.14Å; S220-G224 PolarHBondContact O-N 3.41Å; S220-G400 WeakPolarHBondContact O-CA 3.46Å; S220-G400 PolarHBondContact OG-O 3.33Å
221	I	84.9	Confident	86.4	Confident	43 Å²	43	36.5 Å²	36.5	22%	0.221	17%	0.167	C	C	.	.	H	α-helix	trans	-55.8	-42.2	178	-61.7	169.4	0	0	0	110.9	N219 A225 L246 E393 S396	N219-I221 VanDerWaalsContact C-N 3.28Å; N219-I221 PolarHBondContact O-N 2.82Å; I221-A225 WeakPolarHBondContact O-CB 3.16Å; I221-A225 PolarHBondContact O-N 3.17Å; I221-L246 HydrophobicContact CG2-CD2 4.35Å; I221-E393 HydrophobicContact CD1-CG 4.48Å; I221-E393 HydrophobicContact CG2-CG 4.16Å; I221-S396 WeakPolarHBondContact O-CB 3.35Å
222	V	84.2	Confident	86.2	Confident	16 Å²	16	30.8 Å²	30.8	10%	0.097	14%	0.136	C	C	.	.	H	α-helix	trans	-68.2	-44.2	179.4	-179	0	0	0	0	111.3	N219 S220 G224 A225 F226 N249 Y251 L340	N219-V222 WeakPolarHBondContact O-CB 3.19Å; N219-V222 PolarHBondContact O-N 2.84Å; S220-V222 PolarHBondContact O-N 2.9Å; V222-G224 PolarHBondContact O-N 3.4Å; V222-A225 WeakPolarHBondContact O-CB 3.27Å; V222-A225 PolarHBondContact O-N 2.98Å; V222-F226 HydrophobicContact CG1-CD2 3.84Å; V222-F226 HydrophobicContact CG1-CE2 3.45Å; V222-F226 VanDerWaalsContact CG1-CE2 3.45Å; V222-F226 HydrophobicContact CG1-CZ 4.46Å; V222-F226 WeakPolarHBondContact O-CD2 3.33Å; V222-F226 PolarHBondContact O-N 3.44Å; V222-N249 HydrophobicContact CG2-CB 4.23Å; V222-Y251 HydrophobicContact CG1-CD2 4.34Å; V222-L340 HydrophobicContact CG1-CD2 4.32Å
223	L	87.1	Confident	85.8	Confident	6 Å²	6	35.9 Å²	35.9	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-44.6	176.2	-68.7	173.7	0	0	0	112	N219 S220 A225 F226 A227 V337 L340 V341 V404	N219-L223 PolarHBondContact O-N 3.05Å; S220-L223 PolarHBondContact O-N 3.31Å; S220-L223 VanDerWaalsContact O-N 3.14Å; L223-A225 VanDerWaalsContact C-N 3.3Å; L223-A225 PolarHBondContact O-N 3.44Å; L223-F226 PolarHBondContact O-N 3.5Å; L223-A227 PolarHBondContact O-N 2.99Å; L223-V337 HydrophobicContact CD2-CG2 4.08Å; L223-L340 HydrophobicContact CD2-CB 4.08Å; L223-L340 HydrophobicContact CD2-CD2 3.88Å; L223-L340 HydrophobicContact CG-CD2 4.38Å; L223-V341 HydrophobicContact CD1-CG2 3.87Å; L223-V404 HydrophobicContact CD1-CG2 3.63Å
224	G	88.7	Confident	85.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.5	-34.1	176.9	0	0	0	0	0	112.6	S220 V222 A227 M228 S396 G400	S220-G224 PolarHBondContact O-N 3.41Å; V222-G224 PolarHBondContact O-N 3.4Å; G224-A227 PolarHBondContact O-N 3.32Å; G224-M228 WeakPolarHBondContact O-CB 3.46Å; G224-M228 VanDerWaalsContact O-CG 3.3Å; G224-M228 WeakPolarHBondContact O-CG 3.32Å; G224-M228 PolarHBondContact O-N 2.91Å; G224-S396 WeakPolarHBondContact CA-O 3.3Å; G224-G400 VanDerWaalsContact CA-N 3.34Å
225	A	85.4	Confident	84.5	Confident	9 Å²	9	38.1 Å²	38.1	7%	0.074	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-43	173.6	0	0	0	0	0	112	I221 V222 L223 M228 R229 L246	I221-A225 WeakPolarHBondContact O-CB 3.16Å; I221-A225 PolarHBondContact O-N 3.17Å; V222-A225 WeakPolarHBondContact O-CB 3.27Å; V222-A225 PolarHBondContact O-N 2.98Å; L223-A225 VanDerWaalsContact C-N 3.3Å; L223-A225 PolarHBondContact O-N 3.44Å; A225-M228 PolarHBondContact O-N 3.04Å; A225-R229 WeakPolarHBondContact O-CB 3.36Å; A225-R229 PolarHBondContact O-N 3.5Å; A225-L246 HydrophobicContact CB-CD1 3.33Å
226	F	84.8	Confident	83.7	Confident	38 Å²	38	35.7 Å²	35.7	17%	0.167	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-44.9	174.7	-77.4	-61.2	0	0	0	111.8	V222 L223 M228 R229 E230	V222-F226 HydrophobicContact CG1-CD2 3.84Å; V222-F226 HydrophobicContact CG1-CE2 3.45Å; V222-F226 VanDerWaalsContact CG1-CE2 3.45Å; V222-F226 HydrophobicContact CG1-CZ 4.46Å; V222-F226 WeakPolarHBondContact O-CD2 3.33Å; V222-F226 PolarHBondContact O-N 3.44Å; L223-F226 PolarHBondContact O-N 3.5Å; F226-M228 VanDerWaalsContact C-N 3.34Å; F226-M228 PolarHBondContact O-N 2.99Å; F226-R229 PolarHBondContact O-N 3.05Å; F226-E230 WeakPolarHBondContact O-CB 3.4Å; F226-E230 PolarHBondContact O-N 2.99Å
227	A	87.1	Confident	83.1	Confident	5 Å²	5	36.1 Å²	36.1	4%	0.041	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-43.2	176.8	0	0	0	0	0	111.8	L223 G224 E230 A231 T333 V403 T464	L223-A227 PolarHBondContact O-N 2.99Å; G224-A227 PolarHBondContact O-N 3.32Å; A227-E230 PolarHBondContact O-N 3.31Å; A227-A231 WeakPolarHBondContact O-CB 3.14Å; A227-A231 PolarHBondContact O-N 2.97Å; A227-T333 HydrophobicContact CB-CG2 4.12Å; A227-V403 HydrophobicContact CB-CG2 4.05Å; A227-T464 HydrophobicContact CB-CG2 3.76Å
228	M	88	Confident	82.2	Confident	6 Å²	6	37.7 Å²	37.7	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-65.9	-41.1	176.1	-73.1	-175.9	76.6	0	0	112.7	G224 A225 F226 E230 A231 A232 F395 C399 Y457 I460 F461 T464	G224-M228 WeakPolarHBondContact O-CB 3.46Å; G224-M228 VanDerWaalsContact O-CG 3.3Å; G224-M228 WeakPolarHBondContact O-CG 3.32Å; G224-M228 PolarHBondContact O-N 2.91Å; A225-M228 PolarHBondContact O-N 3.04Å; F226-M228 VanDerWaalsContact C-N 3.34Å; F226-M228 PolarHBondContact O-N 2.99Å; M228-E230 VanDerWaalsContact C-N 3.33Å; M228-E230 PolarHBondContact O-N 3.23Å; M228-A231 PolarHBondContact O-N 3.5Å; M228-A232 WeakPolarHBondContact O-CB 3.46Å; M228-A232 PolarHBondContact O-N 3.46Å; M228-F395 HydrophobicContact CE-CB 3.83Å; M228-F395 HydrophobicContact SD-CB 3.86Å; M228-C399 HydrophobicContact CG-CB 4.4Å; M228-Y457 HydrophobicContact CE-CD1 4.29Å; M228-I460 HydrophobicContact CB-CG2 3.86Å; M228-I460 HydrophobicContact CE-CB 4.17Å; M228-I460 HydrophobicContact CE-CG2 3.7Å; M228-I460 HydrophobicContact CG-CG2 4.24Å; M228-I460 WeakPolarHBondContact O-CG2 3.45Å; M228-F461 HydrophobicContact CE-CB 4.24Å; M228-T464 WeakPolarHBondContact CA-OG1 3.29Å; M228-T464 HydrophobicContact CG-CG2 4.2Å
229	R	84.7	Confident	81	Confident	56 Å²	56	32.6 Å²	32.6	21%	0.211	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-42.8	175.3	179.6	178	-64.6	133.5	2.7	111.1	A225 F226 A232 Q233 E253	A225-R229 WeakPolarHBondContact O-CB 3.36Å; A225-R229 PolarHBondContact O-N 3.5Å; F226-R229 PolarHBondContact O-N 3.05Å; R229-A232 PolarHBondContact O-N 3.04Å; R229-Q233 VanDerWaalsContact O-CG 3.3Å; R229-Q233 WeakPolarHBondContact O-CG 3.37Å; R229-Q233 PolarHBondContact O-N 3.05Å; R229-E253 IonicContact NH1-OE1 2.96Å
230	E	82.7	Confident	79.5	Confident	15 Å²	15	39.3 Å²	39.3	7%	0.07	21%	0.212	C	C	.	.	H	α-helix	trans	-64.5	-46.1	176.6	179.5	164.1	-171.9	0	0	111.7	F226 A227 M228 A232 Q233 L234 R332 T333	F226-E230 WeakPolarHBondContact O-CB 3.4Å; F226-E230 PolarHBondContact O-N 2.99Å; A227-E230 PolarHBondContact O-N 3.31Å; M228-E230 VanDerWaalsContact C-N 3.33Å; M228-E230 PolarHBondContact O-N 3.23Å; E230-A232 VanDerWaalsContact C-N 3.29Å; E230-A232 PolarHBondContact O-N 2.95Å; E230-Q233 PolarHBondContact O-N 3.49Å; E230-L234 HydrophobicContact CG-CD1 4.18Å; E230-L234 WeakPolarHBondContact O-CG 3.46Å; E230-L234 PolarHBondContact O-N 3.4Å; E230-R332 WeakPolarHBondContact OE1-CB 3.49Å; E230-T333 PolarHBondContact OE2-OG1 3.14Å
231	A	85.7	Confident	77.9	Confident	2 Å²	2	43.4 Å²	43.4	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-38.7	175.1	0	0	0	0	0	112.3	A227 M228 S235 T464	A227-A231 WeakPolarHBondContact O-CB 3.14Å; A227-A231 PolarHBondContact O-N 2.97Å; M228-A231 PolarHBondContact O-N 3.5Å; A231-S235 VanDerWaalsContact O-CB 3.26Å; A231-S235 WeakPolarHBondContact O-CB 3.38Å; A231-S235 PolarHBondContact O-N 3.48Å; A231-S235 PolarHBondContact O-OG 3.06Å; A231-T464 VanDerWaalsContact CB-OG1 3.23Å; A231-T464 WeakPolarHBondContact CB-OG1 3.5Å
232	A	84.9	Confident	76.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-44.2	175.1	0	0	0	0	0	112.1	M228 R229 E230 S235 G236 I237 I460	M228-A232 WeakPolarHBondContact O-CB 3.46Å; M228-A232 PolarHBondContact O-N 3.46Å; R229-A232 PolarHBondContact O-N 3.04Å; E230-A232 VanDerWaalsContact C-N 3.29Å; E230-A232 PolarHBondContact O-N 2.95Å; A232-S235 CarbonylContact O-C 3.39Å; A232-S235 WeakPolarHBondContact O-CB 3.04Å; A232-S235 PolarHBondContact O-N 2.9Å; A232-G236 PolarHBondContact O-N 2.69Å; A232-I237 PolarHBondContact O-N 3.02Å; A232-I460 HydrophobicContact CB-CD1 4.18Å; A232-I460 HydrophobicContact CB-CG1 4.29Å; A232-I460 HydrophobicContact CB-CG2 4.34Å
233	Q	81.7	Confident	75	Confident	116 Å²	116	42.2 Å²	42.2	54%	0.542	24%	0.24	S	C	.	.	H	α-helix	trans	-62.5	-46	176.2	-74.3	173.6	-0.4	0	0	112.2	R229 E230 S235 G236	R229-Q233 VanDerWaalsContact O-CG 3.3Å; R229-Q233 WeakPolarHBondContact O-CG 3.37Å; R229-Q233 PolarHBondContact O-N 3.05Å; E230-Q233 PolarHBondContact O-N 3.49Å; Q233-S235 PolarHBondContact O-N 3.33Å; Q233-G236 PolarHBondContact O-N 2.88Å; Q233-G236 VanDerWaalsContact O-N 3.1Å
234	L	78.1	Confident	73.2	Confident	107 Å²	107	46.8 Å²	46.8	56%	0.56	27%	0.265	S	S	*	.	H	α-helix	trans	-61.4	-32.1	175.4	-70.7	172.1	0	0	0	112	E230 S329	E230-L234 HydrophobicContact CG-CD1 4.18Å; E230-L234 WeakPolarHBondContact O-CG 3.46Å; E230-L234 PolarHBondContact O-N 3.4Å; L234-S329 VanDerWaalsContact CD1-OG 3.28Å; L234-S329 WeakPolarHBondContact CD1-OG 3.06Å
235	S	75.2	Confident	71.2	Confident	19 Å²	19	49.8 Å²	49.8	13%	0.133	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-8	177.8	-59.6	0	0	0	0	114.5	A231 A232 Q233 I237 R463 R646	A231-S235 VanDerWaalsContact O-CB 3.26Å; A231-S235 WeakPolarHBondContact O-CB 3.38Å; A231-S235 PolarHBondContact O-N 3.48Å; A231-S235 PolarHBondContact O-OG 3.06Å; A232-S235 CarbonylContact O-C 3.39Å; A232-S235 WeakPolarHBondContact O-CB 3.04Å; A232-S235 PolarHBondContact O-N 2.9Å; Q233-S235 PolarHBondContact O-N 3.33Å; S235-I237 VanDerWaalsContact C-N 3.27Å; S235-I237 PolarHBondContact O-N 2.97Å; S235-R463 WeakPolarHBondContact OG-CD 3.25Å; S235-R463 PolarHBondContact OG-NH1 2.96Å; S235-R646 PolarHBondContact O-NH2 3.42Å
236	G	71.5	Confident	69.3	Low	54 Å²	54	51.3 Å²	51.3	56%	0.557	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	24.9	-173.2	0	0	0	0	0	114.8	A232 Q233	A232-G236 PolarHBondContact O-N 2.69Å; Q233-G236 PolarHBondContact O-N 2.88Å; Q233-G236 VanDerWaalsContact O-N 3.1Å
237	I	73.1	Confident	67.1	Low	10 Å²	10	54.6 Å²	54.6	5%	0.051	31%	0.313	C	S	.	.			trans	-85	130.7	171.6	-61.6	174.9	0	0	0	107.6	A232 S235 S239 L242 I459 I460 N568	A232-I237 PolarHBondContact O-N 3.02Å; S235-I237 VanDerWaalsContact C-N 3.27Å; S235-I237 PolarHBondContact O-N 2.97Å; I237-S239 PolarHBondContact O-N 2.93Å; I237-L242 HydrophobicContact CG2-CD1 4.06Å; I237-I459 HydrophobicContact CD1-CG2 4.22Å; I237-I460 HydrophobicContact CD1-CD1 4.49Å; I237-I460 HydrophobicContact CD1-CG1 3.91Å; I237-I460 HydrophobicContact CG2-CD1 4.29Å; I237-N568 HydrophobicContact CD1-CB 4.02Å; I237-N568 HydrophobicContact CG1-CB 4.19Å
238	D	64.7	Low	64.9	Low	145 Å²	145	60.1 Å²	60.1	78%	0.775	35%	0.346	S	S	*	.			trans	-56.6	98	176.2	-81.7	-21.9	0	0	0	110.9	E240	D238-E240 VanDerWaalsContact C-N 3.31Å; D238-E240 PolarHBondContact O-N 3.41Å
239	S	56.9	Low	62.6	Low	17 Å²	17	63.9 Å²	63.9	12%	0.119	37%	0.366	C	S	.	.			trans	-75	-21.1	-171.8	-178.9	0	0	0	0	113.1	I237 L242 C243	I237-S239 PolarHBondContact O-N 2.93Å; S239-L242 PolarHBondContact O-N 3.09Å; S239-C243 WeakPolarHBondContact O-CB 3.48Å; S239-C243 PolarHBondContact O-N 3.08Å; S239-C243 PolarHBondContact OG-SG 3.13Å; S239-C243 VanDerWaalsContact OG-SG 3.39Å
240	E	53.4	Low	60.3	Low	158 Å²	158	64.5 Å²	64.5	74%	0.738	39%	0.39	S	S	*	.	H	α-helix	trans	-64.9	-46.9	-169.2	-145	165	-159.5	0	0	110.7	D238 L242 D244	D238-E240 VanDerWaalsContact C-N 3.31Å; D238-E240 PolarHBondContact O-N 3.41Å; E240-L242 VanDerWaalsContact C-N 3.33Å; E240-L242 PolarHBondContact O-N 2.81Å; E240-D244 WeakPolarHBondContact O-CB 3.43Å; E240-D244 PolarHBondContact O-N 3.03Å
241	A	53.2	Low	58.1	Low	90 Å²	90	70.3 Å²	70.3	74%	0.744	41%	0.412	S	S	*	.	H	α-helix	trans	-71.6	-23.4	178.3	0	0	0	0	0	114.4
242	L	55	Low	55.4	Low	23 Å²	23	79 Å²	79	12%	0.12	45%	0.449	C	S	.	.	H	α-helix	trans	-91.1	-29.1	-175.2	-99.8	135.8	0	0	0	113.1	I237 S239 E240 D456 Y457 I460	I237-L242 HydrophobicContact CG2-CD1 4.06Å; S239-L242 PolarHBondContact O-N 3.09Å; E240-L242 VanDerWaalsContact C-N 3.33Å; E240-L242 PolarHBondContact O-N 2.81Å; L242-D456 HydrophobicContact CD1-CB 4.23Å; L242-D456 HydrophobicContact CD2-CB 4.2Å; L242-Y457 HydrophobicContact CD2-CD1 3.61Å; L242-Y457 HydrophobicContact CD2-CD2 3.79Å; L242-Y457 HydrophobicContact CD2-CE1 3.52Å; L242-Y457 HydrophobicContact CD2-CE2 3.76Å; L242-Y457 HydrophobicContact CD2-CG 3.74Å; L242-Y457 WeakPolarHBondContact O-CE1 3.47Å; L242-Y457 VanDerWaalsContact O-CZ 3.3Å; L242-Y457 PolarHBondContact O-OH 3.2Å; L242-I460 HydrophobicContact CD1-CD1 3.96Å; L242-I460 HydrophobicContact CD2-CD1 3.84Å; L242-I460 HydrophobicContact CG-CD1 4.32Å
243	C	53.5	Low	52.8	Low	10 Å²	10	85.3 Å²	85.3	7%	0.068	48%	0.479	C	S	.	.	H	α-helix	trans	-105.2	-11.4	-174.1	-65.7	0	0	0	0	114.6	S239 T245 L246	S239-C243 WeakPolarHBondContact O-CB 3.48Å; S239-C243 PolarHBondContact O-N 3.08Å; S239-C243 PolarHBondContact OG-SG 3.13Å; S239-C243 VanDerWaalsContact OG-SG 3.39Å; C243-T245 PolarHBondContact O-N 2.76Å; C243-T245 VanDerWaalsContact O-N 3.11Å; C243-L246 PolarHBondContact O-N 3.4Å
244	D	48.4	Very low	50.2	Low	102 Å²	102	86.2 Å²	86.2	55%	0.545	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-60.6	-19.3	179.5	-87.7	-7.2	0	0	0	113.9	E240 L246 V247	E240-D244 WeakPolarHBondContact O-CB 3.43Å; E240-D244 PolarHBondContact O-N 3.03Å; D244-L246 PolarHBondContact O-N 2.89Å; D244-V247 PolarHBondContact O-N 3.48Å
245	T	47.1	Very low	47.7	Very low	64 Å²	64	89.7 Å²	89.7	39%	0.393	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-61.2	-9.3	176.6	-21.7	0	0	0	0	113.6	C243 N390 Y457	C243-T245 PolarHBondContact O-N 2.76Å; C243-T245 VanDerWaalsContact O-N 3.11Å; T245-N390 WeakPolarHBondContact CG2-OD1 3.45Å; T245-Y457 PolarHBondContact OG1-OH 2.84Å
246	L	46.2	Very low	45.3	Very low	40 Å²	40	96.5 Å²	96.5	21%	0.209	54%	0.541	C	S	.	.	G	3₁₀ helix	trans	-105.7	14.6	-172.9	-63.4	171.2	0	0	0	115.1	I221 A225 C243 D244 V248 E393	I221-L246 HydrophobicContact CG2-CD2 4.35Å; A225-L246 HydrophobicContact CB-CD1 3.33Å; C243-L246 PolarHBondContact O-N 3.4Å; D244-L246 PolarHBondContact O-N 2.89Å; L246-V248 PolarHBondContact O-N 3.02Å; L246-E393 HydrophobicContact CD2-CB 4.11Å
247	V	38.5	Very low	43.1	Very low	108 Å²	108	100 Å²	100	66%	0.655	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-60.8	-4.4	169.4	179.3	0	0	0	0	112.9	D244 N249 G250	D244-V247 PolarHBondContact O-N 3.48Å; V247-N249 VanDerWaalsContact C-N 3.25Å; V247-N249 PolarHBondContact O-N 3.39Å; V247-N249 VanDerWaalsContact O-N 3.16Å; V247-G250 PolarHBondContact O-N 2.79Å
248	V	40.5	Very low	40.8	Very low	120 Å²	120	104.9 Å²	104.9	73%	0.727	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-61.7	-23.5	-178	-178.8	0	0	0	0	114.1	L246	L246-V248 PolarHBondContact O-N 3.02Å
249	N	39.5	Very low	38.9	Very low	86 Å²	86	107.1 Å²	107.1	46%	0.46	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-107.2	19.2	-177.6	-77.5	-11.3	0	0	0	116.2	V222 V247 Y251	V222-N249 HydrophobicContact CG2-CB 4.23Å; V247-N249 VanDerWaalsContact C-N 3.25Å; V247-N249 PolarHBondContact O-N 3.39Å; V247-N249 VanDerWaalsContact O-N 3.16Å; N249-Y251 WeakPolarHBondContact O-CD2 3.22Å; N249-Y251 PolarHBondContact O-N 3.2Å
250	G	36	Very low	37.3	Very low	68 Å²	68	116.1 Å²	116.1	70%	0.701	63%	0.626	S	S	*	*			trans	72.5	2.1	163.6	0	0	0	0	0	117.1	V247 K252	V247-G250 PolarHBondContact O-N 2.79Å; G250-K252 PolarHBondContact O-N 3.31Å
251	Y	36.4	Very low	35.8	Very low	137 Å²	137	114 Å²	114	54%	0.537	63%	0.628	S	S	.	*			trans	-80.2	94.5	171.2	-71.6	-82.2	0	0	0	110.2	V222 N249	V222-Y251 HydrophobicContact CG1-CD2 4.34Å; N249-Y251 WeakPolarHBondContact O-CD2 3.22Å; N249-Y251 PolarHBondContact O-N 3.2Å
252	K	29.8	Very low	34.4	Very low	184 Å²	184	116.8 Å²	116.8	80%	0.8	63%	0.631	S	S	*	*			trans	-83.4	121.4	159.9	-77.3	-175	175.5	-177.2	0	107.9	G250 T254	G250-K252 PolarHBondContact O-N 3.31Å; K252-T254 PolarHBondContact O-N 3Å
253	E	30.4	Very low	33	Very low	134 Å²	134	125.7 Å²	125.7	63%	0.626	67%	0.669	S	S	*	*			trans	-54.7	110	164.4	-79.8	176.4	174.1	0	0	107.6	R229 Q255	R229-E253 IonicContact NH1-OE1 2.96Å; E253-Q255 VanDerWaalsContact C-N 3.34Å; E253-Q255 PolarHBondContact O-N 3.12Å
254	T	27.3	Very low	31.6	Very low	134 Å²	134	133.8 Å²	133.8	82%	0.822	71%	0.705	S	S	*	*			trans	-66.8	96.2	173.1	44.5	0	0	0	0	107.6	K252 D256	K252-T254 PolarHBondContact O-N 3Å; T254-D256 PolarHBondContact O-N 3.26Å
255	Q	25.4	Very low	30.4	Very low	180 Å²	180	134.3 Å²	134.3	84%	0.841	72%	0.717	S	S	*	*			trans	-59	129.2	163	-78.6	-176.1	-12.5	0	0	108.6	E253 V257	E253-Q255 VanDerWaalsContact C-N 3.34Å; E253-Q255 PolarHBondContact O-N 3.12Å; Q255-V257 PolarHBondContact O-N 3.29Å
256	D	24	Very low	29.3	Very low	163 Å²	163	140.4 Å²	140.4	87%	0.872	74%	0.741	S	S	*	*			trans	-38.4	103	177.5	-83.1	-50.6	0	0	0	113.2	T254	T254-D256 PolarHBondContact O-N 3.26Å
257	V	25.4	Very low	28.2	Very low	127 Å²	127	148 Å²	148	77%	0.77	78%	0.775	S	S	*	*			trans	-135.3	94.3	151	-173.2	0	0	0	0	108.1	Q255 K259	Q255-V257 PolarHBondContact O-N 3.29Å; V257-K259 PolarHBondContact O-N 3.3Å
258	S	24.5	Very low	27.4	Very low	112 Å²	112	149 Å²	149	78%	0.783	78%	0.782	S	S	*	*			trans	-46.8	107.5	159.6	43.8	0	0	0	0	110.9
259	K	25.7	Very low	26.6	Very low	193 Å²	193	148.1 Å²	148.1	84%	0.839	79%	0.787	S	S	*	*			trans	-164	93	149.5	-104.8	160.8	-167.1	-177	0	109.7	V257 S261	V257-K259 PolarHBondContact O-N 3.3Å; K259-S261 PolarHBondContact O-N 3.27Å
260	K	22	Very low	25.9	Very low	206 Å²	206	149.4 Å²	149.4	90%	0.896	80%	0.802	S	S	*	*			trans	-47.7	125.8	160.6	-81.9	173.3	170	175.9	0	109.6
261	S	22.6	Very low	25.2	Very low	112 Å²	112	156 Å²	156	78%	0.783	81%	0.812	S	S	*	*			trans	-132.8	103.6	152.9	63.6	0	0	0	0	108.8	K259 K263	K259-S261 PolarHBondContact O-N 3.27Å; S261-K263 PolarHBondContact O-N 3.23Å
262	N	24.8	Very low	24.6	Very low	149 Å²	149	154.7 Å²	154.7	80%	0.797	82%	0.823	S	S	*	*			trans	-53.1	128.4	167.8	-76.4	-10.1	0	0	0	110.2
263	K	25.4	Very low	24.3	Very low	211 Å²	211	151.8 Å²	151.8	92%	0.917	82%	0.82	S	S	*	*			trans	-136.7	116	148.8	-83.3	-166.8	175.3	178.9	0	109.5	S261	S261-K263 PolarHBondContact O-N 3.23Å
264	E	23.4	Very low	24.1	Very low	180 Å²	180	151.7 Å²	151.7	84%	0.841	83%	0.829	S	S	*	*			trans	-67.7	138.9	177.7	-68	164.7	141.1	0	0	111.7
265	S	22.7	Very low	23.9	Very low	113 Å²	113	153.2 Å²	153.2	79%	0.79	83%	0.826	S	S	*	*				46	102.1	128.9	-50.5	0	0	0	0	118.8
266	Q	24.2	Very low	23.8	Very low	191 Å²	191	154.3 Å²	154.3	89%	0.893	83%	0.828	S	S	*	*			trans	-131.9	101.8	145.4	-99.5	172.2	-6.2	0	0	109.7
267	Q	23.1	Very low	23.7	Very low	199 Å²	199	152.6 Å²	152.6	93%	0.93	82%	0.824	S	S	*	*			trans	-61.1	124	165.9	-79.4	169.3	-21.3	0	0	109.5
268	V	23.3	Very low	23.6	Very low	130 Å²	130	151.7 Å²	151.7	79%	0.788	82%	0.823	S	S	*	*			trans	-119.4	111	163.5	-178	0	0	0	0	107.6	S270	V268-S270 PolarHBondContact O-N 3.38Å
269	A	23.3	Very low	23.6	Very low	102 Å²	102	152.1 Å²	152.1	84%	0.843	82%	0.82	S	S	*	*			trans	-71.3	111.6	175.4	0	0	0	0	0	110.2
270	S	23.9	Very low	23.6	Very low	112 Å²	112	150 Å²	150	78%	0.783	82%	0.818	S	S	*	*			trans	-104.3	105.6	169.6	49.6	0	0	0	0	110.1	V268	V268-S270 PolarHBondContact O-N 3.38Å
271	K	22.4	Very low	23.9	Very low	208 Å²	208	145.7 Å²	145.7	90%	0.904	81%	0.809	S	S	*	*			trans	-64.5	122.2	165.1	-72.1	171.7	173.2	175.8	0	109.2
272	S	23.2	Very low	24.2	Very low	109 Å²	109	148.2 Å²	148.2	76%	0.762	81%	0.814	S	S	*	*			trans	-121.5	109.8	167.1	56.3	0	0	0	0	110.2	V274	S272-V274 PolarHBondContact O-N 3.49Å
273	T	24.2	Very low	24.3	Very low	122 Å²	122	146.3 Å²	146.3	75%	0.748	81%	0.808	S	S	*	*			trans	-67.4	116.2	177.1	-56.9	0	0	0	0	110.7	H275	T273-H275 PolarHBondContact O-N 3.5Å
274	V	25.6	Very low	24.9	Very low	133 Å²	133	142.6 Å²	142.6	81%	0.806	80%	0.798	S	S	*	*			trans	-70.4	118	175.9	178.5	0	0	0	0	109.9	S272	S272-V274 PolarHBondContact O-N 3.49Å
275	H	22.9	Very low	26.1	Very low	165 Å²	165	139 Å²	139	76%	0.764	79%	0.793	S	S	*	*			trans	-87.3	114.4	168.8	-86.1	36.2	0	0	0	109.7	T273 V277	T273-H275 PolarHBondContact O-N 3.5Å; H275-V277 PolarHBondContact O-N 3.19Å
276	K	22.9	Very low	27.1	Very low	204 Å²	204	139 Å²	139	89%	0.887	78%	0.783	S	S	*	*			trans	-65	118.2	169.9	-93.4	177.8	169.7	178.2	0	109.8
277	V	23.2	Very low	28.1	Very low	127 Å²	127	132.9 Å²	132.9	77%	0.77	76%	0.757	S	S	*	*			trans	-106.6	112.4	161.8	175.9	0	0	0	0	107.4	H275	H275-V277 PolarHBondContact O-N 3.19Å
278	S	22.4	Very low	29.3	Very low	108 Å²	108	128.9 Å²	128.9	76%	0.755	74%	0.742	S	S	*	*			trans	-69.7	122.6	175.3	-74.8	0	0	0	0	110.7
279	V	25.7	Very low	30.4	Very low	121 Å²	121	128.9 Å²	128.9	73%	0.733	73%	0.733	S	S	*	*			trans	-115.2	110.3	162.7	179.9	0	0	0	0	107.2	T281	V279-T281 PolarHBondContact O-N 3.15Å
280	N	24.6	Very low	31.4	Very low	149 Å²	149	126.6 Å²	126.6	80%	0.797	71%	0.706	S	S	*	*			trans	-74.1	114.1	174.1	-83	-7	0	0	0	109.4
281	T	28.2	Very low	32.5	Very low	115 Å²	115	127.5 Å²	127.5	71%	0.706	70%	0.698	S	S	*	*			trans	-129.6	113.3	159.9	47.6	0	0	0	0	109	V279 T283	V279-T281 PolarHBondContact O-N 3.15Å; T281-T283 PolarHBondContact O-N 2.87Å
282	N	28.9	Very low	33.6	Very low	164 Å²	164	123.8 Å²	123.8	88%	0.877	69%	0.686	S	S	*	*			trans	-69.7	106.4	176	-65.5	-31.1	0	0	0	109.8
283	T	27.8	Very low	34.3	Very low	109 Å²	109	123.6 Å²	123.6	67%	0.669	68%	0.676	S	S	*	*			trans	-148.8	122.1	161.5	49	0	0	0	0	111.1	T281	T281-T283 PolarHBondContact O-N 2.87Å
284	D	36.5	Very low	35	Very low	134 Å²	134	121.6 Å²	121.6	72%	0.717	66%	0.664	S	S	*	*			trans	55.3	114.3	155.8	-62.6	-24.5	0	0	0	122.2	L286 D287	D284-L286 PolarHBondContact O-N 2.76Å; D284-D287 PolarHBondContact O-N 3.45Å
285	S	48.4	Very low	35.6	Very low	105 Å²	105	121.9 Å²	121.9	73%	0.734	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.8	-16.6	-177.5	-172.3	0	0	0	0	117.3
286	L	44.9	Very low	36.5	Very low	111 Å²	111	119.8 Å²	119.8	58%	0.581	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-26	-175	-141.1	77.5	0	0	0	112.8	D284 N288	D284-L286 PolarHBondContact O-N 2.76Å; L286-N288 VanDerWaalsContact C-N 3.3Å; L286-N288 PolarHBondContact O-N 3.23Å
287	D	44	Very low	37.2	Very low	63 Å²	63	115.2 Å²	115.2	34%	0.337	64%	0.638	S	S	.	*	H	α-helix	trans	-74	-23.3	-179.3	-82.3	-37.2	0	0	0	112.2	R193 K196 D284	R193-D287 IonicContact NH2-OD1 3.72Å; R193-D287 PolarHBondContact NH2-OD1 2.93Å; K196-D287 IonicContact NZ-OD2 3.18Å; K196-D287 PolarHBondContact NZ-OD2 3.43Å; D284-D287 PolarHBondContact O-N 3.45Å
288	N	50.1	Low	37.8	Very low	115 Å²	115	114 Å²	114	62%	0.615	63%	0.631	S	S	*	*	H	α-helix	trans	-71.3	-30.2	176.5	-77.2	-21.4	0	0	0	114.1	L286 L290	L286-N288 VanDerWaalsContact C-N 3.3Å; L286-N288 PolarHBondContact O-N 3.23Å; N288-L290 VanDerWaalsContact C-N 3.33Å; N288-L290 PolarHBondContact O-N 3.08Å
289	E	46.3	Very low	38.3	Very low	130 Å²	130	115.9 Å²	115.9	61%	0.607	63%	0.633	S	S	*	*	H	α-helix	trans	-70.3	-29.1	-178.4	-80.8	-173.1	155.5	0	0	112.5
290	L	44	Very low	38.6	Very low	54 Å²	54	115.6 Å²	115.6	28%	0.283	63%	0.631	S	S	.	*	H	α-helix	trans	-87.4	-26.8	179.5	-159.3	79.3	0	0	0	113.6	N288 M292 L293 T294	N288-L290 VanDerWaalsContact C-N 3.33Å; N288-L290 PolarHBondContact O-N 3.08Å; L290-M292 PolarHBondContact O-N 2.76Å; L290-L293 HydrophobicContact CD1-CB 4.24Å; L290-L293 HydrophobicContact CD1-CD1 3.91Å; L290-L293 PolarHBondContact O-N 2.7Å; L290-L293 VanDerWaalsContact O-N 3.08Å; L290-T294 PolarHBondContact O-N 3.06Å; L290-T294 PolarHBondContact O-OG1 3.48Å
291	E	47	Very low	38.7	Very low	131 Å²	131	116 Å²	116	61%	0.612	63%	0.633	S	S	*	*	H	α-helix	trans	-61.7	-32	171.9	-147.1	177.5	-163.2	0	0	110.6	T294 Q295	E291-T294 PolarHBondContact O-N 2.93Å; E291-Q295 PolarHBondContact O-N 3.16Å
292	M	45.2	Very low	38.5	Very low	131 Å²	131	122.2 Å²	122.2	65%	0.645	64%	0.644	S	S	*	*	H	α-helix	trans	-66.8	-38.7	171.9	-134.8	-157.3	-46.6	0	0	113.2	L290	L290-M292 PolarHBondContact O-N 2.76Å
293	L	36.8	Very low	38.3	Very low	104 Å²	104	119.5 Å²	119.5	55%	0.545	64%	0.638	S	S	.	*	H	α-helix	trans	-72.6	-30.2	178	-77.1	166.7	0	0	0	112.8	L290 I296	L290-L293 HydrophobicContact CD1-CB 4.24Å; L290-L293 HydrophobicContact CD1-CD1 3.91Å; L290-L293 PolarHBondContact O-N 2.7Å; L290-L293 VanDerWaalsContact O-N 3.08Å; L293-I296 PolarHBondContact O-N 3.49Å
294	T	40.4	Very low	38.1	Very low	81 Å²	81	120.1 Å²	120.1	50%	0.497	65%	0.645	S	S	.	*	H	α-helix	trans	-73.1	-29.6	-178.4	-45	0	0	0	0	111.9	L290 E291 I296 V297	L290-T294 PolarHBondContact O-N 3.06Å; L290-T294 PolarHBondContact O-OG1 3.48Å; E291-T294 PolarHBondContact O-N 2.93Å; T294-I296 VanDerWaalsContact C-N 3.28Å; T294-I296 PolarHBondContact O-N 3.3Å; T294-V297 PolarHBondContact O-N 3.16Å
295	Q	38.5	Very low	37.5	Very low	138 Å²	138	120.8 Å²	120.8	65%	0.645	65%	0.649	S	S	*	*	H	α-helix	trans	-69.5	-21.1	174.2	-81.8	176.5	4.3	0	0	113.9	E291 T298	E291-Q295 PolarHBondContact O-N 3.16Å; Q295-T298 PolarHBondContact O-OG1 3.22Å
296	I	41	Very low	36.4	Very low	121 Å²	121	121.3 Å²	121.3	62%	0.621	65%	0.648	S	S	*	*	H	α-helix	trans	-79.3	-30.3	179.8	-62.9	173.6	0	0	0	111.4	L293 T294	L293-I296 PolarHBondContact O-N 3.49Å; T294-I296 VanDerWaalsContact C-N 3.28Å; T294-I296 PolarHBondContact O-N 3.3Å
297	V	37.7	Very low	35.5	Very low	109 Å²	109	123.4 Å²	123.4	66%	0.661	66%	0.659	S	S	*	*	H	α-helix	trans	-83.4	-26.6	-174.9	-179.3	0	0	0	0	112.9	T294 N299 T300	T294-V297 PolarHBondContact O-N 3.16Å; V297-N299 PolarHBondContact O-N 2.71Å; V297-N299 VanDerWaalsContact O-N 3.13Å; V297-T300 PolarHBondContact O-N 3.47Å
298	T	36	Very low	34.6	Very low	100 Å²	100	126.5 Å²	126.5	61%	0.613	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-9.2	-175	49.4	0	0	0	0	115.3	Q295	Q295-T298 PolarHBondContact O-OG1 3.22Å
299	N	33	Very low	33.5	Very low	149 Å²	149	128.6 Å²	128.6	80%	0.797	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	5.9	177.8	-80.9	-20.3	0	0	0	115.3	V297	V297-N299 PolarHBondContact O-N 2.71Å; V297-N299 VanDerWaalsContact O-N 3.13Å
300	T	31	Very low	32.5	Very low	114 Å²	114	130 Å²	130	70%	0.699	69%	0.694	S	S	*	*			trans	-127.7	55.9	-175.3	-27.1	0	0	0	0	112.9	V297	V297-T300 PolarHBondContact O-N 3.47Å
301	N	27.8	Very low	31.6	Very low	157 Å²	157	130.6 Å²	130.6	84%	0.84	71%	0.712	S	S	*	*			trans	-124.8	92.2	168.9	-87.2	-21.9	0	0	0	111
302	R	23.7	Very low	30.6	Very low	247 Å²	247	133.1 Å²	133.1	93%	0.932	72%	0.724	S	S	*	*			trans	-120.9	116.2	156.4	-102.3	-170.1	-169.3	-173.3	4.9	109
303	S	24	Very low	29.6	Very low	107 Å²	107	132.9 Å²	132.9	75%	0.748	73%	0.73	S	S	*	*			trans	54.5	102.6	145.8	-159.9	0	0	0	0	117.6
304	C	23.4	Very low	28.9	Very low	122 Å²	122	135.7 Å²	135.7	82%	0.824	74%	0.741	S	S	*	*			trans	-140.5	105.3	144.9	-80.6	0	0	0	0	107.8
305	N	24.3	Very low	28	Very low	148 Å²	148	138.5 Å²	138.5	79%	0.791	75%	0.751	S	S	*	*			trans	-71.6	119.6	163.2	-84.7	-7.5	0	0	0	107.8
306	T	25.9	Very low	27.3	Very low	115 Å²	115	136.6 Å²	136.6	71%	0.706	75%	0.749	S	S	*	*			trans	-127.3	111	158.3	48.1	0	0	0	0	107.7	D308	T306-D308 PolarHBondContact O-N 3.44Å
307	N	25.5	Very low	26.4	Very low	155 Å²	155	137.1 Å²	137.1	83%	0.829	75%	0.751	S	S	*	*			trans	-67.9	104.4	168.7	-61.6	-36.8	0	0	0	107.1
308	D	25.6	Very low	25.7	Very low	128 Å²	128	142.1 Å²	142.1	68%	0.684	76%	0.759	S	S	*	*			trans	-120.7	101.1	162.1	-80.8	-40.2	0	0	0	108.3	T306 H310	T306-D308 PolarHBondContact O-N 3.44Å; D308-H310 VanDerWaalsContact C-N 3.27Å; D308-H310 PolarHBondContact O-N 3.28Å
309	D	25.6	Very low	25.3	Very low	159 Å²	159	141.7 Å²	141.7	85%	0.85	76%	0.756	S	S	*	*			trans	-67.1	82.3	169.8	-176.7	31.8	0	0	0	108.5
310	H	27	Very low	24.9	Very low	161 Å²	161	143.2 Å²	143.2	75%	0.745	76%	0.758	S	S	*	*			trans	-105.1	92.8	165.2	-76.1	-38.2	0	0	0	108.3	D308 E312	D308-H310 VanDerWaalsContact C-N 3.27Å; D308-H310 PolarHBondContact O-N 3.28Å; H310-E312 PolarHBondContact O-N 3.44Å; H310-E312 VanDerWaalsContact O-N 3.14Å
311	G	24.9	Very low	24.7	Very low	65 Å²	65	142.6 Å²	142.6	67%	0.67	75%	0.75	S	S	*	*			trans	-43.8	116.9	174.6	0	0	0	0	0	111.6	T313	G311-T313 PolarHBondContact O-N 3.16Å
312	E	25.4	Very low	24.6	Very low	185 Å²	185	142.7 Å²	142.7	86%	0.864	75%	0.75	S	S	*	*			trans	-60.8	97.2	171	-65.5	174.4	153.6	0	0	108.7	H310 E314	H310-E312 PolarHBondContact O-N 3.44Å; H310-E312 VanDerWaalsContact O-N 3.14Å; E312-E314 PolarHBondContact O-N 3.5Å
313	T	23.4	Very low	24.9	Very low	125 Å²	125	133.8 Å²	133.8	77%	0.767	72%	0.723	S	S	*	*			trans	-74.9	81.1	152.3	40.3	0	0	0	0	106.9	G311 I315	G311-T313 PolarHBondContact O-N 3.16Å; T313-I315 VanDerWaalsContact C-N 3.32Å; T313-I315 PolarHBondContact O-N 3.06Å
314	E	22.7	Very low	25.2	Very low	164 Å²	164	135.5 Å²	135.5	77%	0.766	72%	0.723	S	S	*	*			trans	-56.4	102.4	160.3	-162.7	175	-153.8	0	0	106.1	E312 T316	E312-E314 PolarHBondContact O-N 3.5Å; E314-T316 PolarHBondContact O-N 3.2Å
315	I	22.6	Very low	25.6	Very low	140 Å²	140	136.7 Å²	136.7	72%	0.718	72%	0.722	S	S	*	*			trans	-71.7	79.4	174.6	-55.8	176.1	0	0	0	105.5	T313 I317	T313-I315 VanDerWaalsContact C-N 3.32Å; T313-I315 PolarHBondContact O-N 3.06Å; I315-I317 HydrophobicContact CG2-CG1 3.84Å; I315-I317 PolarHBondContact O-N 3.09Å
316	T	22.3	Very low	26	Very low	97 Å²	97	136.9 Å²	136.9	60%	0.595	72%	0.723	S	S	*	*			trans	-63.8	96.4	160.1	-44.1	0	0	0	0	105.2	E314 R318	E314-T316 PolarHBondContact O-N 3.2Å; T316-R318 HydrophobicContact CG2-CG 4.11Å; T316-R318 PolarHBondContact O-N 3.22Å
317	I	23.5	Very low	26.7	Very low	132 Å²	132	136.2 Å²	136.2	68%	0.677	72%	0.715	S	S	*	*			trans	-65.4	81.5	167.9	-56.8	176	0	0	0	105.8	I315 T319	I315-I317 HydrophobicContact CG2-CG1 3.84Å; I315-I317 PolarHBondContact O-N 3.09Å; I317-T319 PolarHBondContact O-N 2.86Å
318	R	22.8	Very low	27.6	Very low	215 Å²	215	137.3 Å²	137.3	81%	0.811	71%	0.712	S	S	*	*			trans	-72.6	82.4	157.1	-78.8	-174.7	174	173.8	-1.1	105.3	T316 Q320	T316-R318 HydrophobicContact CG2-CG 4.11Å; T316-R318 PolarHBondContact O-N 3.22Å; R318-Q320 PolarHBondContact O-N 3.39Å
319	T	26.3	Very low	28.5	Very low	90 Å²	90	132.6 Å²	132.6	55%	0.552	69%	0.69	S	S	*	*			trans	-56.6	99.5	162	-17.8	0	0	0	0	105.1	I317 I321	I317-T319 PolarHBondContact O-N 2.86Å; T319-I321 PolarHBondContact O-N 3.23Å
320	Q	24.3	Very low	29.4	Very low	182 Å²	182	125.7 Å²	125.7	85%	0.85	65%	0.654	S	S	*	*			trans	-63.5	95.7	168.9	-73.7	-175.5	-13.6	0	0	105.3	R318 N322	R318-Q320 PolarHBondContact O-N 3.39Å; Q320-N322 PolarHBondContact O-N 3.2Å
321	I	28.1	Very low	30.5	Very low	101 Å²	101	122.1 Å²	122.1	52%	0.518	64%	0.64	S	S	.	*			trans	-62.8	108.2	174.5	-44.9	179.3	0	0	0	105	T319 V323	T319-I321 PolarHBondContact O-N 3.23Å; I321-V323 HydrophobicContact CB-CG2 3.64Å; I321-V323 HydrophobicContact CG2-CB 4.47Å; I321-V323 HydrophobicContact CG2-CG2 3.12Å; I321-V323 PolarHBondContact O-N 2.91Å
322	N	25.7	Very low	32.1	Very low	159 Å²	159	126.9 Å²	126.9	85%	0.85	64%	0.638	S	S	*	*			trans	-73.3	71.8	171.9	-167.7	15.9	0	0	0	107.2	Q320	Q320-N322 PolarHBondContact O-N 3.2Å
323	V	29.1	Very low	33.7	Very low	60 Å²	60	118.9 Å²	118.9	36%	0.364	60%	0.601	S	S	.	*			trans	-84.7	117.8	179.3	-171.6	0	0	0	0	107.2	I321 D325	I321-V323 HydrophobicContact CB-CG2 3.64Å; I321-V323 HydrophobicContact CG2-CB 4.47Å; I321-V323 HydrophobicContact CG2-CG2 3.12Å; I321-V323 PolarHBondContact O-N 2.91Å; V323-D325 PolarHBondContact O-N 3.42Å
324	N	30.1	Very low	35.6	Very low	142 Å²	142	114.5 Å²	114.5	76%	0.759	57%	0.571	S	S	*	*			trans	-48.7	126.7	165.5	-78.5	-29.4	0	0	0	109.3	N326	N324-N326 PolarHBondContact O-N 3.34Å
325	D	32.2	Very low	37.3	Very low	148 Å²	148	109.7 Å²	109.7	79%	0.791	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	14.2	-169.4	-91.1	-44.8	0	0	0	117.9	V323	V323-D325 PolarHBondContact O-N 3.42Å
326	N	33.4	Very low	39.5	Very low	151 Å²	151	106.8 Å²	106.8	81%	0.807	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-12.2	-173.1	-79	-5	0	0	0	116.3	N324	N324-N326 PolarHBondContact O-N 3.34Å
327	D	39.8	Very low	42	Very low	102 Å²	102	102.2 Å²	102.2	55%	0.545	51%	0.51	S	S	.	.			trans	-116.7	69.4	-180	-88.5	-36	0	0	0	113.3	S329 C330	D327-S329 PolarHBondContact O-N 3.28Å; D327-S329 VanDerWaalsContact O-N 3.16Å; D327-C330 PolarHBondContact O-N 3.11Å
328	K	44.3	Very low	44.5	Very low	178 Å²	178	101.3 Å²	101.3	77%	0.774	50%	0.502	S	S	*	.	H	α-helix	trans	-59.8	-21.9	174.2	-75.6	-178.8	178.6	175.2	0	113.8
329	S	44.2	Very low	47	Very low	29 Å²	29	97.3 Å²	97.3	20%	0.203	50%	0.497	C	S	.	.	H	α-helix	trans	-73.3	-40.9	-177.8	-173.1	0	0	0	0	112.9	L234 D327 N331	L234-S329 VanDerWaalsContact CD1-OG 3.28Å; L234-S329 WeakPolarHBondContact CD1-OG 3.06Å; D327-S329 PolarHBondContact O-N 3.28Å; D327-S329 VanDerWaalsContact O-N 3.16Å; S329-N331 PolarHBondContact O-N 3.25Å
330	C	44.4	Very low	49.3	Very low	14 Å²	14	95 Å²	95	10%	0.095	48%	0.481	C	S	.	.	H	α-helix	trans	-71.7	-32.8	-174.9	-62	0	0	0	0	112.2	D327 R332 T333 Y334 N467	D327-C330 PolarHBondContact O-N 3.11Å; C330-R332 VanDerWaalsContact C-N 3.28Å; C330-R332 PolarHBondContact O-N 2.86Å; C330-T333 PolarHBondContact O-N 2.9Å; C330-Y334 HydrophobicContact CB-CD2 4.11Å; C330-Y334 HydrophobicContact CB-CE2 3.53Å; C330-Y334 WeakPolarHBondContact O-CD2 3.13Å; C330-Y334 PolarHBondContact O-N 2.97Å; C330-Y334 VanDerWaalsContact O-N 3.15Å; C330-N467 PolarHBondContact SG-O 3.48Å
331	N	51.4	Low	52.1	Low	85 Å²	85	86.5 Å²	86.5	46%	0.455	44%	0.442	S	S	.	.	H	α-helix	trans	-60	-33.1	-175.5	-76.4	-12	0	0	0	113.8	S329 S335	S329-N331 PolarHBondContact O-N 3.25Å; N331-S335 PolarHBondContact O-N 3.25Å
332	R	58.1	Low	54.8	Low	166 Å²	166	87.2 Å²	87.2	63%	0.626	45%	0.446	S	S	*	.	H	α-helix	trans	-72.2	-43.3	178.9	-118.9	-176.5	-172.4	-173.6	2.7	112.2	E230 C330 Y334 S335 K336	E230-R332 WeakPolarHBondContact OE1-CB 3.49Å; C330-R332 VanDerWaalsContact C-N 3.28Å; C330-R332 PolarHBondContact O-N 2.86Å; R332-Y334 VanDerWaalsContact C-N 3.34Å; R332-Y334 PolarHBondContact O-N 3.38Å; R332-S335 PolarHBondContact O-N 2.75Å; R332-K336 PolarHBondContact O-N 3.03Å
333	T	58.5	Low	57.7	Low	16 Å²	16	80 Å²	80	10%	0.098	41%	0.408	C	S	.	.	H	α-helix	trans	-60.3	-46.2	177.9	-42	0	0	0	0	110.4	A227 E230 C330 S335 K336 V337 V403	A227-T333 HydrophobicContact CB-CG2 4.12Å; E230-T333 PolarHBondContact OE2-OG1 3.14Å; C330-T333 PolarHBondContact O-N 2.9Å; T333-S335 PolarHBondContact O-N 3.49Å; T333-K336 PolarHBondContact O-N 2.76Å; T333-V337 VanDerWaalsContact O-CG2 3.29Å; T333-V337 WeakPolarHBondContact O-CG2 3.44Å; T333-V337 PolarHBondContact O-N 3.03Å; T333-V337 VanDerWaalsContact O-N 3.08Å; T333-V403 HydrophobicContact CG2-CG1 4.18Å
334	Y	64.2	Low	60.4	Low	33 Å²	33	78 Å²	78	13%	0.129	40%	0.399	C	S	.	.	H	α-helix	trans	-65.5	-39.4	179.8	-61.7	-51.5	0	0	0	113	C330 R332 K336 V337 E338 D406 F407 H410	C330-Y334 HydrophobicContact CB-CD2 4.11Å; C330-Y334 HydrophobicContact CB-CE2 3.53Å; C330-Y334 WeakPolarHBondContact O-CD2 3.13Å; C330-Y334 PolarHBondContact O-N 2.97Å; C330-Y334 VanDerWaalsContact O-N 3.15Å; R332-Y334 VanDerWaalsContact C-N 3.34Å; R332-Y334 PolarHBondContact O-N 3.38Å; Y334-K336 VanDerWaalsContact C-N 3.26Å; Y334-K336 PolarHBondContact O-N 3.31Å; Y334-V337 WeakPolarHBondContact O-CB 3.34Å; Y334-V337 PolarHBondContact O-N 3.03Å; Y334-V337 VanDerWaalsContact O-N 3.09Å; Y334-E338 PolarHBondContact O-N 2.79Å; Y334-D406 PolarHBondContact OH-OD2 2.92Å; Y334-F407 HydrophobicContact CD1-CB 4.22Å; Y334-F407 AromaticContact CD1-CD2 3.72Å; Y334-F407 HydrophobicContact CD1-CD2 3.72Å; Y334-F407 HydrophobicContact CD1-CG 4.48Å; Y334-F407 HydrophobicContact CE1-CB 4.31Å; Y334-F407 HydrophobicContact CE1-CD2 4.47Å; Y334-F407 HydrophobicContact CG-CD2 4.33Å; Y334-H410 PolarHBondContact OH-CE1 3.15Å; Y334-H410 VanDerWaalsContact OH-CE1 3.32Å
335	S	58.8	Low	63	Low	63 Å²	63	72.3 Å²	72.3	44%	0.441	37%	0.369	S	S	.	.	H	α-helix	trans	-57.9	-39.5	175.8	-175.4	0	0	0	0	112.1	N331 R332 T333 D339	N331-S335 PolarHBondContact O-N 3.25Å; R332-S335 PolarHBondContact O-N 2.75Å; T333-S335 PolarHBondContact O-N 3.49Å; S335-D339 PolarHBondContact O-N 2.66Å
336	K	68.2	Low	65.7	Low	80 Å²	80	65.2 Å²	65.2	35%	0.348	33%	0.332	S	S	.	.	H	α-helix	trans	-73.7	-31.2	176.7	-69.4	-179.3	179.2	177.5	0	113.1	R332 T333 Y334 E338 D339 L340	R332-K336 PolarHBondContact O-N 3.03Å; T333-K336 PolarHBondContact O-N 2.76Å; Y334-K336 VanDerWaalsContact C-N 3.26Å; Y334-K336 PolarHBondContact O-N 3.31Å; K336-E338 VanDerWaalsContact C-N 3.35Å; K336-D339 PolarHBondContact O-N 3.3Å; K336-L340 WeakPolarHBondContact O-CB 3.45Å; K336-L340 PolarHBondContact O-N 3.47Å; K336-L340 VanDerWaalsContact O-N 3.12Å
337	V	75.6	Confident	68.3	Low	1 Å²	1	61.8 Å²	61.8	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-64.5	-42.9	176.2	169.3	0	0	0	0	110.2	L223 T333 Y334 D339 L340 V341 F343 V403 F407	L223-V337 HydrophobicContact CD2-CG2 4.08Å; T333-V337 VanDerWaalsContact O-CG2 3.29Å; T333-V337 WeakPolarHBondContact O-CG2 3.44Å; T333-V337 PolarHBondContact O-N 3.03Å; T333-V337 VanDerWaalsContact O-N 3.08Å; Y334-V337 WeakPolarHBondContact O-CB 3.34Å; Y334-V337 PolarHBondContact O-N 3.03Å; Y334-V337 VanDerWaalsContact O-N 3.09Å; V337-D339 VanDerWaalsContact C-N 3.32Å; V337-D339 PolarHBondContact O-N 2.92Å; V337-L340 PolarHBondContact O-N 2.98Å; V337-V341 PolarHBondContact O-N 3.34Å; V337-F343 HydrophobicContact CG1-CE2 3.59Å; V337-F343 HydrophobicContact CG1-CZ 3.61Å; V337-V403 HydrophobicContact CG2-CG1 3.54Å; V337-F407 HydrophobicContact CG1-CB 4.25Å; V337-F407 HydrophobicContact CG1-CD1 4.22Å; V337-F407 HydrophobicContact CG1-CD2 4.12Å; V337-F407 HydrophobicContact CG1-CG 3.92Å
338	E	74.5	Confident	70.4	Confident	112 Å²	112	61.3 Å²	61.3	52%	0.523	30%	0.298	S	S	.	.	H	α-helix	trans	-61.7	-38	174.5	-70	179.5	176.2	0	0	112.4	Y334 K336 F407	Y334-E338 PolarHBondContact O-N 2.79Å; K336-E338 VanDerWaalsContact C-N 3.35Å; E338-F407 HydrophobicContact CG-CE2 3.65Å; E338-F407 HydrophobicContact CG-CZ 3.6Å
339	D	75	Confident	72.4	Confident	132 Å²	132	52.9 Å²	52.9	71%	0.706	26%	0.262	S	S	*	.	H	α-helix	trans	-72.2	-27.6	178.6	-69.3	-25.3	0	0	0	113.4	S335 K336 V337	S335-D339 PolarHBondContact O-N 2.66Å; K336-D339 PolarHBondContact O-N 3.3Å; V337-D339 VanDerWaalsContact C-N 3.32Å; V337-D339 PolarHBondContact O-N 2.92Å
340	L	75.4	Confident	74.4	Confident	41 Å²	41	52.2 Å²	52.2	22%	0.215	26%	0.256	C	S	.	.	H	α-helix	trans	-97.8	-26.4	-173.8	-126.2	93.9	0	0	0	114.2	Y215 V222 L223 K336 V337	Y215-L340 PolarHBondContact OH-O 3.36Å; Y215-L340 VanDerWaalsContact OH-O 3.05Å; V222-L340 HydrophobicContact CG1-CD2 4.32Å; L223-L340 HydrophobicContact CD2-CB 4.08Å; L223-L340 HydrophobicContact CD2-CD2 3.88Å; L223-L340 HydrophobicContact CG-CD2 4.38Å; K336-L340 WeakPolarHBondContact O-CB 3.45Å; K336-L340 PolarHBondContact O-N 3.47Å; K336-L340 VanDerWaalsContact O-N 3.12Å; V337-L340 PolarHBondContact O-N 2.98Å
341	V	83.4	Confident	76.2	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.024	27%	0.27	C	S	.	.			trans	-132	119.1	-169.5	-179.3	0	0	0	0	110.8	F212 Y215 I216 L223 V337 F343	F212-V341 HydrophobicContact CE2-CG1 3.99Å; Y215-V341 HydrophobicContact CE1-CG1 4.44Å; Y215-V341 HydrophobicContact CE1-CG2 4.42Å; I216-V341 HydrophobicContact CD1-CG1 3.72Å; I216-V341 HydrophobicContact CG1-CG1 3.99Å; L223-V341 HydrophobicContact CD1-CG2 3.87Å; V337-V341 PolarHBondContact O-N 3.34Å; V341-F343 HydrophobicContact CB-CD2 4.3Å; V341-F343 HydrophobicContact CB-CE2 3.7Å; V341-F343 HydrophobicContact CB-CZ 4.08Å; V341-F343 HydrophobicContact CG1-CD1 4.48Å; V341-F343 HydrophobicContact CG1-CD2 4.01Å; V341-F343 HydrophobicContact CG1-CE1 4.18Å; V341-F343 HydrophobicContact CG1-CE2 3.66Å; V341-F343 HydrophobicContact CG1-CG 4.41Å; V341-F343 HydrophobicContact CG1-CZ 3.76Å; V341-F343 WeakPolarHBondContact O-CD2 3.38Å; V341-F343 WeakPolarHBondContact O-CE2 3.44Å; V341-F343 PolarHBondContact O-N 3.28Å
342	D	84	Confident	77.7	Confident	115 Å²	115	51.5 Å²	51.5	62%	0.615	25%	0.249	S	C	*	.			trans	-79.8	109.7	168.4	179.6	16	0	0	0	110.3	F212 G344 P345	F212-D342 VanDerWaalsContact CE2-O 3.27Å; F212-D342 WeakPolarHBondContact CE2-O 3.37Å; D342-G344 VanDerWaalsContact C-N 3.27Å; D342-G344 WeakPolarHBondContact OD1-CA 3.44Å; D342-G344 PolarHBondContact OD1-N 3.31Å; D342-P345 WeakPolarHBondContact O-CD 3.31Å
343	F	87.2	Confident	79.1	Confident	9 Å²	9	43.7 Å²	43.7	4%	0.039	22%	0.219	C	C	.	.			trans	-84.1	1.4	175.7	-67.8	-91.8	0	0	0	113.2	F212 I216 V337 V341 P345 V346 Y347 V404 F407 I408	F212-F343 HydrophobicContact CE2-CD1 4.31Å; F212-F343 AromaticContact CZ-CD1 3.87Å; F212-F343 HydrophobicContact CZ-CD1 3.87Å; F212-F343 HydrophobicContact CZ-CE1 4.24Å; I216-F343 HydrophobicContact CD1-CE1 4.21Å; V337-F343 HydrophobicContact CG1-CE2 3.59Å; V337-F343 HydrophobicContact CG1-CZ 3.61Å; V341-F343 HydrophobicContact CB-CD2 4.3Å; V341-F343 HydrophobicContact CB-CE2 3.7Å; V341-F343 HydrophobicContact CB-CZ 4.08Å; V341-F343 HydrophobicContact CG1-CD1 4.48Å; V341-F343 HydrophobicContact CG1-CD2 4.01Å; V341-F343 HydrophobicContact CG1-CE1 4.18Å; V341-F343 HydrophobicContact CG1-CE2 3.66Å; V341-F343 HydrophobicContact CG1-CG 4.41Å; V341-F343 HydrophobicContact CG1-CZ 3.76Å; V341-F343 WeakPolarHBondContact O-CD2 3.38Å; V341-F343 WeakPolarHBondContact O-CE2 3.44Å; V341-F343 PolarHBondContact O-N 3.28Å; F343-P345 VanDerWaalsContact C-CD 3.46Å; F343-P345 VanDerWaalsContact C-N 3.33Å; F343-V346 WeakPolarHBondContact O-CB 3.33Å; F343-V346 PolarHBondContact O-N 3.03Å; F343-Y347 HydrophobicContact CB-CD2 3.97Å; F343-Y347 HydrophobicContact CB-CE2 3.36Å; F343-Y347 HydrophobicContact CG-CE2 4.48Å; F343-Y347 VanDerWaalsContact O-CD2 3.3Å; F343-Y347 WeakPolarHBondContact O-CD2 3.43Å; F343-Y347 PolarHBondContact O-N 3.46Å; F343-Y347 VanDerWaalsContact O-N 3.13Å; F343-V404 HydrophobicContact CE1-CG1 4.12Å; F343-F407 HydrophobicContact CD1-CD1 4.09Å; F343-F407 HydrophobicContact CD1-CE1 4.15Å; F343-F407 AromaticContact CD2-CD1 3.92Å; F343-F407 HydrophobicContact CD2-CD1 3.92Å; F343-F407 AromaticContact CD2-CE1 3.38Å; F343-F407 HydrophobicContact CD2-CE1 3.38Å; F343-F407 HydrophobicContact CD2-CZ 4.23Å; F343-F407 AromaticContact CE1-CD1 3.66Å; F343-F407 HydrophobicContact CE1-CD1 3.66Å; F343-F407 HydrophobicContact CE1-CE1 4.11Å; F343-F407 AromaticContact CE2-CD1 3.49Å; F343-F407 HydrophobicContact CE2-CD1 3.49Å; F343-F407 VanDerWaalsContact CE2-CD1 3.49Å; F343-F407 AromaticContact CE2-CE1 3.34Å; F343-F407 HydrophobicContact CE2-CE1 3.34Å; F343-F407 HydrophobicContact CE2-CG 4.41Å; F343-F407 HydrophobicContact CE2-CZ 4.16Å; F343-F407 HydrophobicContact CG-CD1 4.21Å; F343-F407 AromaticContact CG-CE1 3.81Å; F343-F407 HydrophobicContact CG-CE1 3.81Å; F343-F407 AromaticContact CZ-CD1 3.34Å; F343-F407 HydrophobicContact CZ-CD1 3.34Å; F343-F407 AromaticContact CZ-CE1 3.72Å; F343-F407 HydrophobicContact CZ-CE1 3.72Å; F343-F407 HydrophobicContact CZ-CG 4.18Å; F343-I408 HydrophobicContact CD1-CD1 4.17Å; F343-I408 HydrophobicContact CD1-CG1 3.95Å; F343-I408 HydrophobicContact CE1-CD1 4.01Å; F343-I408 HydrophobicContact CE1-CG1 3.85Å
344	G	84.7	Confident	80.3	Confident	17 Å²	17	44.7 Å²	44.7	18%	0.175	23%	0.227	C	C	.	.	H	α-helix	trans	-44.9	-46.7	177	0	0	0	0	0	114.5	D342 V346 Y347 R348	D342-G344 VanDerWaalsContact C-N 3.27Å; D342-G344 WeakPolarHBondContact OD1-CA 3.44Å; D342-G344 PolarHBondContact OD1-N 3.31Å; G344-V346 VanDerWaalsContact C-N 3.33Å; G344-V346 PolarHBondContact O-N 3.01Å; G344-Y347 PolarHBondContact O-N 3.48Å; G344-R348 WeakPolarHBondContact O-CB 2.96Å; G344-R348 PolarHBondContact O-N 3.39Å
345	P	86.6	Confident	81.1	Confident	22 Å²	22	44.8 Å²	44.8	14%	0.143	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-39.1	176.6	-27	36.5	0	0	0	113.8	E208 F212 D342 F343 C349	E208-P345 HydrophobicContact CB-CB 4.5Å; F212-P345 HydrophobicContact CB-CB 3.94Å; F212-P345 HydrophobicContact CB-CG 4.24Å; F212-P345 HydrophobicContact CD2-CB 4.35Å; F212-P345 HydrophobicContact CD2-CG 4.23Å; F212-P345 HydrophobicContact CG-CB 4.26Å; D342-P345 WeakPolarHBondContact O-CD 3.31Å; F343-P345 VanDerWaalsContact C-CD 3.46Å; F343-P345 VanDerWaalsContact C-N 3.33Å; P345-C349 WeakPolarHBondContact O-CB 3.47Å; P345-C349 PolarHBondContact O-N 3.38Å
346	V	88.6	Confident	82.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.1	-48.7	178.6	178.9	0	0	0	0	110.5	L209 F212 F343 G344 C349 L350 F362 Y366 L412	L209-V346 HydrophobicContact CD1-CG2 4Å; F212-V346 HydrophobicContact CD1-CG2 3.55Å; F212-V346 HydrophobicContact CD2-CG2 4.41Å; F212-V346 HydrophobicContact CE1-CG2 3.05Å; F212-V346 HydrophobicContact CE2-CG2 3.99Å; F212-V346 HydrophobicContact CG-CG2 4.19Å; F212-V346 HydrophobicContact CZ-CG2 3.24Å; F343-V346 WeakPolarHBondContact O-CB 3.33Å; F343-V346 PolarHBondContact O-N 3.03Å; G344-V346 VanDerWaalsContact C-N 3.33Å; G344-V346 PolarHBondContact O-N 3.01Å; V346-C349 PolarHBondContact O-N 3.22Å; V346-L350 VanDerWaalsContact O-CB 3.32Å; V346-L350 WeakPolarHBondContact O-CB 3.48Å; V346-L350 PolarHBondContact O-N 3.26Å; V346-F362 HydrophobicContact CG1-CZ 4.2Å; V346-Y366 HydrophobicContact CG2-CE2 4.48Å; V346-L412 HydrophobicContact CG1-CD1 4.4Å
347	Y	86.4	Confident	83	Confident	79 Å²	79	46.9 Å²	46.9	31%	0.31	24%	0.241	S	C	.	.	H	α-helix	trans	-64.9	-41.1	179.8	-60	-51	0	0	0	111.8	F343 G344 L350 H351 T411 L412	F343-Y347 HydrophobicContact CB-CD2 3.97Å; F343-Y347 HydrophobicContact CB-CE2 3.36Å; F343-Y347 HydrophobicContact CG-CE2 4.48Å; F343-Y347 VanDerWaalsContact O-CD2 3.3Å; F343-Y347 WeakPolarHBondContact O-CD2 3.43Å; F343-Y347 PolarHBondContact O-N 3.46Å; F343-Y347 VanDerWaalsContact O-N 3.13Å; G344-Y347 PolarHBondContact O-N 3.48Å; Y347-L350 PolarHBondContact O-N 3.25Å; Y347-H351 VanDerWaalsContact O-CB 3.27Å; Y347-H351 WeakPolarHBondContact O-CB 3.37Å; Y347-H351 PolarHBondContact O-N 3.35Å; Y347-T411 WeakPolarHBondContact OH-CB 3.39Å; Y347-T411 PolarHBondContact OH-OG1 3.33Å; Y347-L412 HydrophobicContact CD1-CD1 3.74Å; Y347-L412 HydrophobicContact CE1-CD1 3.48Å; Y347-L412 VanDerWaalsContact CE1-CD1 3.48Å
348	R	84.3	Confident	83.6	Confident	91 Å²	91	50.2 Å²	50.2	34%	0.343	26%	0.256	S	S	.	.	H	α-helix	trans	-63.3	-47.4	176.4	-170.8	-177.6	-59.4	135	2.8	111.1	E208 G344 H351 I352	E208-R348 IonicContact OE1-NH1 2.77Å; E208-R348 IonicContact OE2-CZ 3.02Å; E208-R348 IonicContact OE2-NH1 3.64Å; E208-R348 PolarHBondContact OE2-NH1 3.38Å; G344-R348 WeakPolarHBondContact O-CB 2.96Å; G344-R348 PolarHBondContact O-N 3.39Å; R348-H351 PolarHBondContact O-N 2.98Å; R348-I352 HydrophobicContact CG-CD1 3.97Å; R348-I352 VanDerWaalsContact O-CG1 3.26Å; R348-I352 WeakPolarHBondContact O-CG1 3.44Å; R348-I352 PolarHBondContact O-N 3.22Å
349	C	86.9	Confident	84.1	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-43.3	178.5	-170.5	0	0	0	0	111.7	P345 V346 H351 I352 H353 F362	P345-C349 WeakPolarHBondContact O-CB 3.47Å; P345-C349 PolarHBondContact O-N 3.38Å; V346-C349 PolarHBondContact O-N 3.22Å; C349-H351 VanDerWaalsContact C-N 3.35Å; C349-H351 PolarHBondContact O-N 2.95Å; C349-I352 PolarHBondContact O-N 2.81Å; C349-H353 PolarHBondContact O-N 2.93Å; C349-H353 PolarHBondContact O-ND1 3.24Å; C349-H353 VanDerWaalsContact SG-CE1 3.5Å; C349-F362 HydrophobicContact CB-CD2 4.32Å; C349-F362 HydrophobicContact CB-CE2 3.72Å; C349-F362 HydrophobicContact CB-CZ 4.44Å; C349-F362 VanDerWaalsContact SG-CD2 3.51Å; C349-F362 WeakPolarHBondContact SG-CE2 3.33Å
350	L	86.5	Confident	84.7	Confident	15 Å²	15	45.7 Å²	45.7	8%	0.079	24%	0.24	C	C	.	.	H	α-helix	trans	-60	-44.8	174	176.6	70	0	0	0	111.8	V346 Y347 H353 S354 R359 F362 L412	V346-L350 VanDerWaalsContact O-CB 3.32Å; V346-L350 WeakPolarHBondContact O-CB 3.48Å; V346-L350 PolarHBondContact O-N 3.26Å; Y347-L350 PolarHBondContact O-N 3.25Å; L350-H353 PolarHBondContact O-N 3.5Å; L350-S354 WeakPolarHBondContact O-CB 3.3Å; L350-S354 PolarHBondContact O-N 3.39Å; L350-S354 PolarHBondContact O-OG 3.37Å; L350-R359 HydrophobicContact CD1-CG 3.99Å; L350-F362 HydrophobicContact CB-CD1 4.07Å; L350-F362 HydrophobicContact CB-CE1 3.66Å; L350-F362 HydrophobicContact CB-CZ 4.06Å; L350-F362 HydrophobicContact CD1-CD1 3.43Å; L350-F362 VanDerWaalsContact CD1-CD1 3.43Å; L350-F362 HydrophobicContact CD1-CE1 3.62Å; L350-F362 HydrophobicContact CD1-CG 4.46Å; L350-F362 HydrophobicContact CG-CD1 4.36Å; L350-F362 HydrophobicContact CG-CE1 4.2Å; L350-L412 HydrophobicContact CD1-CD2 4.4Å; L350-L412 HydrophobicContact CD2-CD1 4.06Å; L350-L412 HydrophobicContact CD2-CD2 3.61Å; L350-L412 HydrophobicContact CD2-CG 3.49Å; L350-L412 VanDerWaalsContact CD2-CG 3.49Å
351	H	81.8	Confident	85.3	Confident	84 Å²	84	48.8 Å²	48.8	39%	0.389	25%	0.253	S	S	.	.	H	α-helix	trans	-64.2	-46	-179.5	-171.6	-67.2	0	0	0	110.8	Y164 Y347 R348 C349 H353 S354 V355	Y164-H351 AromaticContact CD2-CE1 3.75Å; Y164-H351 AromaticContact CD2-ND1 3.74Å; Y164-H351 AromaticContact CE2-CE1 3.33Å; Y164-H351 WeakPolarHBondContact CE2-CE1 3.3Å; Y164-H351 AromaticContact CE2-ND1 3.82Å; Y164-H351 AromaticContact CE2-NE2 3.9Å; Y347-H351 VanDerWaalsContact O-CB 3.27Å; Y347-H351 WeakPolarHBondContact O-CB 3.37Å; Y347-H351 PolarHBondContact O-N 3.35Å; R348-H351 PolarHBondContact O-N 2.98Å; C349-H351 VanDerWaalsContact C-N 3.35Å; C349-H351 PolarHBondContact O-N 2.95Å; H351-H353 VanDerWaalsContact C-N 3.34Å; H351-H353 PolarHBondContact O-N 3.45Å; H351-S354 WeakPolarHBondContact O-CB 3.38Å; H351-S354 PolarHBondContact O-N 2.94Å; H351-S354 VanDerWaalsContact O-N 3.13Å; H351-V355 VanDerWaalsContact CE1-CG2 3.43Å; H351-V355 WeakPolarHBondContact CE1-CG2 3.28Å; H351-V355 WeakPolarHBondContact O-CG2 3.39Å; H351-V355 PolarHBondContact O-N 3.38Å
352	I	83.7	Confident	85.5	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-48.3	175.8	-70.6	165.7	0	0	0	110.4	L167 I201 R348 C349 S354 V355 L356	L167-I352 HydrophobicContact CD2-CB 4.47Å; L167-I352 HydrophobicContact CD2-CG1 4.38Å; L167-I352 HydrophobicContact CD2-CG2 4.26Å; I201-I352 HydrophobicContact CG2-CD1 4.11Å; I201-I352 HydrophobicContact CG2-CG1 4.5Å; I201-I352 HydrophobicContact CG2-CG2 4.06Å; R348-I352 HydrophobicContact CG-CD1 3.97Å; R348-I352 VanDerWaalsContact O-CG1 3.26Å; R348-I352 WeakPolarHBondContact O-CG1 3.44Å; R348-I352 PolarHBondContact O-N 3.22Å; C349-I352 PolarHBondContact O-N 2.81Å; I352-S354 VanDerWaalsContact C-N 3.29Å; I352-S354 PolarHBondContact O-N 3.26Å; I352-V355 PolarHBondContact O-N 2.51Å; I352-L356 HydrophobicContact CG2-CD1 4.03Å; I352-L356 WeakPolarHBondContact O-CG 3.45Å; I352-L356 PolarHBondContact O-N 3.33Å
353	H	85.7	Confident	85.8	Confident	2 Å²	2	44 Å²	44	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-68.6	-28	178.4	-73.4	77.9	0	0	0	113	K202 C349 L350 H351 N357 E358 R359 F362	K202-H353 WeakPolarHBondContact CE-NE2 3.34Å; C349-H353 PolarHBondContact O-N 2.93Å; C349-H353 PolarHBondContact O-ND1 3.24Å; C349-H353 VanDerWaalsContact SG-CE1 3.5Å; L350-H353 PolarHBondContact O-N 3.5Å; H351-H353 VanDerWaalsContact C-N 3.34Å; H351-H353 PolarHBondContact O-N 3.45Å; H353-N357 PolarHBondContact O-N 3.24Å; H353-E358 CarbonylContact O-C 3.59Å; H353-E358 WeakPolarHBondContact O-CA 3.36Å; H353-E358 PolarHBondContact O-N 3.48Å; H353-R359 PolarHBondContact O-N 2.92Å; H353-F362 HydrophobicContact CB-CB 3.71Å; H353-F362 HydrophobicContact CB-CG 4.41Å
354	S	85.1	Confident	85.9	Confident	36 Å²	36	52.5 Å²	52.5	25%	0.252	26%	0.259	S	S	.	.	H	α-helix	trans	-68.6	-42.4	173.8	-60.9	0	0	0	0	111.5	L350 H351 I352 L356 N357	L350-S354 WeakPolarHBondContact O-CB 3.3Å; L350-S354 PolarHBondContact O-N 3.39Å; L350-S354 PolarHBondContact O-OG 3.37Å; H351-S354 WeakPolarHBondContact O-CB 3.38Å; H351-S354 PolarHBondContact O-N 2.94Å; H351-S354 VanDerWaalsContact O-N 3.13Å; I352-S354 VanDerWaalsContact C-N 3.29Å; I352-S354 PolarHBondContact O-N 3.26Å; S354-L356 VanDerWaalsContact C-N 3.32Å; S354-N357 PolarHBondContact O-N 3.47Å; S354-N357 VanDerWaalsContact O-N 3.12Å
355	V	81.4	Confident	86.1	Confident	36 Å²	36	54.6 Å²	54.6	22%	0.218	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-38.1	175.2	174.1	0	0	0	0	111.2	L167 E171 H351 I352 N357	L167-V355 HydrophobicContact CD2-CB 3.7Å; L167-V355 HydrophobicContact CD2-CG1 3.49Å; L167-V355 VanDerWaalsContact CD2-CG1 3.49Å; L167-V355 HydrophobicContact CD2-CG2 4.3Å; L167-V355 HydrophobicContact CG-CG1 3.92Å; E171-V355 VanDerWaalsContact CD-CG1 3.44Å; E171-V355 WeakPolarHBondContact OE1-CG1 3.34Å; H351-V355 VanDerWaalsContact CE1-CG2 3.43Å; H351-V355 WeakPolarHBondContact CE1-CG2 3.28Å; H351-V355 WeakPolarHBondContact O-CG2 3.39Å; H351-V355 PolarHBondContact O-N 3.38Å; I352-V355 PolarHBondContact O-N 2.51Å; V355-N357 PolarHBondContact O-N 3.1Å
356	L	83.1	Confident	86.3	Confident	33 Å²	33	53.5 Å²	53.5	17%	0.173	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	3.2	174.3	-63.6	175.3	0	0	0	114.2	L167 R198 K202 I352 S354 E358	L167-L356 HydrophobicContact CD1-CD2 4.3Å; R198-L356 HydrophobicContact CB-CD2 4.15Å; R198-L356 HydrophobicContact CG-CD2 4.07Å; K202-L356 HydrophobicContact CB-CD1 4.06Å; K202-L356 HydrophobicContact CD-CD1 4.38Å; K202-L356 HydrophobicContact CG-CD1 4.39Å; I352-L356 HydrophobicContact CG2-CD1 4.03Å; I352-L356 WeakPolarHBondContact O-CG 3.45Å; I352-L356 PolarHBondContact O-N 3.33Å; S354-L356 VanDerWaalsContact C-N 3.32Å; L356-E358 PolarHBondContact O-N 3.3Å
357	N	83.2	Confident	86.5	Confident	154 Å²	154	53.9 Å²	53.9	82%	0.824	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	23.6	-173.9	-67.4	-51.8	0	0	0	115	H353 S354 V355	H353-N357 PolarHBondContact O-N 3.24Å; S354-N357 PolarHBondContact O-N 3.47Å; S354-N357 VanDerWaalsContact O-N 3.12Å; V355-N357 PolarHBondContact O-N 3.1Å
358	E	87	Confident	86.7	Confident	71 Å²	71	52.8 Å²	52.8	33%	0.332	26%	0.261	S	S	.	.			trans	-114.9	25.3	-177.5	-69.8	175.5	162	0	0	112.2	K202 H353 L356 A360 E361 F362	K202-E358 WeakPolarHBondContact CE-OE2 3.2Å; K202-E358 IonicContact NZ-OE1 3.28Å; K202-E358 IonicContact NZ-OE2 3.81Å; K202-E358 PolarHBondContact NZ-OE2 3.32Å; H353-E358 CarbonylContact O-C 3.59Å; H353-E358 WeakPolarHBondContact O-CA 3.36Å; H353-E358 PolarHBondContact O-N 3.48Å; L356-E358 PolarHBondContact O-N 3.3Å; E358-A360 VanDerWaalsContact C-N 3.29Å; E358-A360 PolarHBondContact O-N 3.05Å; E358-E361 HydrophobicContact CB-CB 4.35Å; E358-E361 WeakPolarHBondContact O-CB 3.48Å; E358-E361 PolarHBondContact O-N 3.3Å; E358-F362 PolarHBondContact O-N 3.34Å
359	R	86	Confident	87.1	Confident	76 Å²	76	51.2 Å²	51.2	29%	0.287	26%	0.257	S	S	.	.	H	α-helix	trans	-52.4	-44.2	-177.8	-177.4	175.8	178.1	141	-1.4	113.4	L350 H353 E361 F362 E363 S413 S415	L350-R359 HydrophobicContact CD1-CG 3.99Å; H353-R359 PolarHBondContact O-N 2.92Å; R359-E361 VanDerWaalsContact C-N 3.26Å; R359-E361 PolarHBondContact O-N 2.51Å; R359-F362 PolarHBondContact O-N 2.93Å; R359-E363 IonicContact CZ-OE1 2.91Å; R359-E363 IonicContact NE-OE1 3.14Å; R359-E363 PolarHBondContact NE-OE1 3.12Å; R359-E363 IonicContact NH2-OE1 3.42Å; R359-E363 WeakPolarHBondContact O-CG 3.45Å; R359-E363 PolarHBondContact O-N 2.73Å; R359-S413 PolarHBondContact NH2-O 3.17Å; R359-S415 PolarHBondContact NE-OG 3Å; R359-S415 PolarHBondContact NH2-OG 3.33Å
360	A	87.5	Confident	87.3	Confident	73 Å²	73	51.2 Å²	51.2	60%	0.603	26%	0.257	S	S	*	.	H	α-helix	trans	-64.8	-29.9	179.7	0	0	0	0	0	112.7	E358 R364	E358-A360 VanDerWaalsContact C-N 3.29Å; E358-A360 PolarHBondContact O-N 3.05Å; A360-R364 WeakPolarHBondContact O-CB 3.46Å; A360-R364 PolarHBondContact O-N 2.81Å; A360-R364 VanDerWaalsContact O-N 3.09Å
361	E	87.3	Confident	87.6	Confident	105 Å²	105	54.6 Å²	54.6	49%	0.491	27%	0.269	S	S	.	.	H	α-helix	trans	-68.5	-45.2	175.7	-167.5	-173.2	-172.7	0	0	110.5	K202 E358 R359 R364 H365	K202-E361 IonicContact NZ-OE1 3.29Å; K202-E361 IonicContact NZ-OE2 3.6Å; K202-E361 PolarHBondContact NZ-OE2 3.45Å; E358-E361 HydrophobicContact CB-CB 4.35Å; E358-E361 WeakPolarHBondContact O-CB 3.48Å; E358-E361 PolarHBondContact O-N 3.3Å; R359-E361 VanDerWaalsContact C-N 3.26Å; R359-E361 PolarHBondContact O-N 2.51Å; E361-R364 PolarHBondContact O-N 3.11Å; E361-H365 WeakPolarHBondContact O-CB 3.11Å; E361-H365 PolarHBondContact O-N 3.1Å
362	F	89.2	Confident	88.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-49.9	175	168	-94.9	0	0	0	111.9	L209 V346 C349 L350 H353 E358 R359 R364 H365 Y366	L209-F362 HydrophobicContact CD1-CE2 4.33Å; L209-F362 HydrophobicContact CD2-CD2 4.35Å; L209-F362 HydrophobicContact CD2-CE2 3.73Å; V346-F362 HydrophobicContact CG1-CZ 4.2Å; C349-F362 HydrophobicContact CB-CD2 4.32Å; C349-F362 HydrophobicContact CB-CE2 3.72Å; C349-F362 HydrophobicContact CB-CZ 4.44Å; C349-F362 VanDerWaalsContact SG-CD2 3.51Å; C349-F362 WeakPolarHBondContact SG-CE2 3.33Å; L350-F362 HydrophobicContact CB-CD1 4.07Å; L350-F362 HydrophobicContact CB-CE1 3.66Å; L350-F362 HydrophobicContact CB-CZ 4.06Å; L350-F362 HydrophobicContact CD1-CD1 3.43Å; L350-F362 VanDerWaalsContact CD1-CD1 3.43Å; L350-F362 HydrophobicContact CD1-CE1 3.62Å; L350-F362 HydrophobicContact CD1-CG 4.46Å; L350-F362 HydrophobicContact CG-CD1 4.36Å; L350-F362 HydrophobicContact CG-CE1 4.2Å; H353-F362 HydrophobicContact CB-CB 3.71Å; H353-F362 HydrophobicContact CB-CG 4.41Å; E358-F362 PolarHBondContact O-N 3.34Å; R359-F362 PolarHBondContact O-N 2.93Å; F362-R364 VanDerWaalsContact C-N 3.28Å; F362-R364 PolarHBondContact O-N 3.43Å; F362-H365 WeakPolarHBondContact O-CB 3.34Å; F362-H365 PolarHBondContact O-N 3.22Å; F362-H365 VanDerWaalsContact O-N 3.09Å; F362-Y366 WeakPolarHBondContact O-CB 3.16Å; F362-Y366 PolarHBondContact O-N 3.4Å
363	E	89	Confident	88.4	Confident	19 Å²	19	56.5 Å²	56.5	9%	0.089	28%	0.276	C	S	.	.	H	α-helix	trans	-58.4	-43.5	-179.8	-72.1	174.1	175.6	0	0	110.9	R359 C367 S415 F418 Y419	R359-E363 IonicContact CZ-OE1 2.91Å; R359-E363 IonicContact NE-OE1 3.14Å; R359-E363 PolarHBondContact NE-OE1 3.12Å; R359-E363 IonicContact NH2-OE1 3.42Å; R359-E363 WeakPolarHBondContact O-CG 3.45Å; R359-E363 PolarHBondContact O-N 2.73Å; E363-C367 WeakPolarHBondContact O-CB 3.49Å; E363-C367 PolarHBondContact O-N 2.95Å; E363-C367 PolarHBondContact O-SG 3.36Å; E363-S415 WeakPolarHBondContact OE1-CB 3.44Å; E363-S415 PolarHBondContact OE1-OG 3.34Å; E363-F418 HydrophobicContact CB-CD1 4.3Å; E363-F418 HydrophobicContact CB-CE1 3.76Å; E363-F418 HydrophobicContact CB-CZ 4.27Å; E363-Y419 HydrophobicContact CG-CE2 4.45Å
364	R	89.1	Confident	88.7	Confident	188 Å²	188	56.6 Å²	56.6	71%	0.709	28%	0.277	S	S	*	.	H	α-helix	trans	-64.6	-42.2	175	-171.3	176.6	-173.2	155.8	2.6	112.2	A360 E361 F362 T368	A360-R364 WeakPolarHBondContact O-CB 3.46Å; A360-R364 PolarHBondContact O-N 2.81Å; A360-R364 VanDerWaalsContact O-N 3.09Å; E361-R364 PolarHBondContact O-N 3.11Å; F362-R364 VanDerWaalsContact C-N 3.28Å; F362-R364 PolarHBondContact O-N 3.43Å; R364-T368 VanDerWaalsContact O-CB 3.23Å; R364-T368 WeakPolarHBondContact O-CB 3.48Å; R364-T368 PolarHBondContact O-N 2.93Å; R364-T368 PolarHBondContact O-OG1 3.25Å
365	H	89.2	Confident	89	Confident	60 Å²	60	59.4 Å²	59.4	28%	0.278	29%	0.286	S	S	.	.	H	α-helix	trans	-62.6	-51.5	178.1	178.7	-99.3	0	0	0	111	E361 F362 C367 T368 Q369	E361-H365 WeakPolarHBondContact O-CB 3.11Å; E361-H365 PolarHBondContact O-N 3.1Å; F362-H365 WeakPolarHBondContact O-CB 3.34Å; F362-H365 PolarHBondContact O-N 3.22Å; F362-H365 VanDerWaalsContact O-N 3.09Å; H365-C367 PolarHBondContact O-N 2.95Å; H365-T368 WeakPolarHBondContact O-CB 3.36Å; H365-T368 PolarHBondContact O-N 3.13Å; H365-Q369 PolarHBondContact NE2-NE2 3.45Å; H365-Q369 VanDerWaalsContact NE2-NE2 3.13Å; H365-Q369 WeakPolarHBondContact O-CG 3.47Å; H365-Q369 PolarHBondContact O-N 3.36Å
366	Y	91.3	Very high	89.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-55.2	-55	177.7	179.8	-92.7	0	0	0	111.3	L209 L213 V346 F362 T368 Q369 R370 I408 Y419	L209-Y366 HydrophobicContact CD1-CD2 4.24Å; L213-Y366 HydrophobicContact CD2-CD2 4.42Å; L213-Y366 HydrophobicContact CD2-CE2 3.95Å; V346-Y366 HydrophobicContact CG2-CE2 4.48Å; F362-Y366 WeakPolarHBondContact O-CB 3.16Å; F362-Y366 PolarHBondContact O-N 3.4Å; Y366-T368 VanDerWaalsContact C-N 3.25Å; Y366-T368 PolarHBondContact O-N 2.99Å; Y366-Q369 PolarHBondContact O-N 3.22Å; Y366-Q369 VanDerWaalsContact O-N 3.13Å; Y366-R370 HydrophobicContact CD1-CG 4.12Å; Y366-R370 HydrophobicContact CD2-CG 4.43Å; Y366-R370 HydrophobicContact CE1-CG 3.56Å; Y366-R370 HydrophobicContact CE2-CG 3.92Å; Y366-R370 HydrophobicContact CG-CG 4.5Å; Y366-R370 VanDerWaalsContact CZ-CG 3.42Å; Y366-R370 WeakPolarHBondContact O-CG 3.36Å; Y366-R370 PolarHBondContact O-N 2.85Å; Y366-R370 WeakPolarHBondContact OH-CD 3.44Å; Y366-R370 WeakPolarHBondContact OH-CG 3.41Å; Y366-I408 HydrophobicContact CE1-CD1 4.29Å; Y366-I408 HydrophobicContact CE2-CD1 4.33Å; Y366-I408 WeakPolarHBondContact OH-CD1 3.38Å; Y366-Y419 AromaticContact CD1-CE1 3.92Å; Y366-Y419 HydrophobicContact CD1-CE1 3.92Å; Y366-Y419 HydrophobicContact CE1-CE1 4.16Å
367	C	91.7	Very high	89.4	Confident	7 Å²	7	63.9 Å²	63.9	5%	0.047	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-35.3	179.3	-70.7	0	0	0	0	112.4	E363 H365 R371 Y422	E363-C367 WeakPolarHBondContact O-CB 3.49Å; E363-C367 PolarHBondContact O-N 2.95Å; E363-C367 PolarHBondContact O-SG 3.36Å; H365-C367 PolarHBondContact O-N 2.95Å; C367-R371 WeakPolarHBondContact O-CB 3.3Å; C367-R371 PolarHBondContact O-N 2.91Å; C367-Y422 HydrophobicContact CB-CD2 3.74Å; C367-Y422 HydrophobicContact CB-CE2 3.66Å; C367-Y422 HydrophobicContact CB-CG 4.26Å; C367-Y422 PolarHBondContact O-OH 3.21Å
368	T	92	Very high	89.6	Confident	56 Å²	56	57.5 Å²	57.5	34%	0.344	27%	0.274	S	S	.	.	H	α-helix	trans	-66.6	-44.4	176.1	-61.1	0	0	0	0	111.6	R364 H365 Y366 R371 K372	R364-T368 VanDerWaalsContact O-CB 3.23Å; R364-T368 WeakPolarHBondContact O-CB 3.48Å; R364-T368 PolarHBondContact O-N 2.93Å; R364-T368 PolarHBondContact O-OG1 3.25Å; H365-T368 WeakPolarHBondContact O-CB 3.36Å; H365-T368 PolarHBondContact O-N 3.13Å; Y366-T368 VanDerWaalsContact C-N 3.25Å; Y366-T368 PolarHBondContact O-N 2.99Å; T368-R371 PolarHBondContact O-N 3.13Å; T368-K372 WeakPolarHBondContact O-CG 3.27Å; T368-K372 PolarHBondContact O-N 2.94Å; T368-K372 VanDerWaalsContact O-N 3.16Å
369	Q	91.4	Very high	89.4	Confident	58 Å²	58	57.5 Å²	57.5	27%	0.271	28%	0.282	S	S	.	.	H	α-helix	trans	-67.7	-45	178.3	-62.9	-61.4	-3.2	0	0	111.6	L213 H365 Y366 R371 K372 Q373	L213-Q369 HydrophobicContact CD1-CB 3.75Å; L213-Q369 HydrophobicContact CD1-CG 4.13Å; H365-Q369 PolarHBondContact NE2-NE2 3.45Å; H365-Q369 VanDerWaalsContact NE2-NE2 3.13Å; H365-Q369 WeakPolarHBondContact O-CG 3.47Å; H365-Q369 PolarHBondContact O-N 3.36Å; Y366-Q369 PolarHBondContact O-N 3.22Å; Y366-Q369 VanDerWaalsContact O-N 3.13Å; Q369-R371 VanDerWaalsContact C-N 3.32Å; Q369-R371 PolarHBondContact O-N 3.25Å; Q369-K372 WeakPolarHBondContact O-CB 3.22Å; Q369-K372 PolarHBondContact O-N 3.18Å; Q369-K372 VanDerWaalsContact O-N 3.17Å; Q369-Q373 PolarHBondContact O-N 2.81Å
370	R	93.1	Very high	88.9	Confident	1 Å²	1	56.1 Å²	56.1	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-38.2	175.8	-68.4	-61.2	-65.5	172.7	-12.7	112.3	L213 Y366 K372 Q373 C374 F401 D405 Y422	L213-R370 VanDerWaalsContact CD2-CD 3.47Å; L213-R370 HydrophobicContact CD2-CG 4.14Å; Y366-R370 HydrophobicContact CD1-CG 4.12Å; Y366-R370 HydrophobicContact CD2-CG 4.43Å; Y366-R370 HydrophobicContact CE1-CG 3.56Å; Y366-R370 HydrophobicContact CE2-CG 3.92Å; Y366-R370 HydrophobicContact CG-CG 4.5Å; Y366-R370 VanDerWaalsContact CZ-CG 3.42Å; Y366-R370 WeakPolarHBondContact O-CG 3.36Å; Y366-R370 PolarHBondContact O-N 2.85Å; Y366-R370 WeakPolarHBondContact OH-CD 3.44Å; Y366-R370 WeakPolarHBondContact OH-CG 3.41Å; R370-K372 VanDerWaalsContact C-N 3.35Å; R370-K372 PolarHBondContact O-N 2.84Å; R370-Q373 PolarHBondContact O-N 3.39Å; R370-Q373 VanDerWaalsContact O-N 3.15Å; R370-C374 PolarHBondContact O-N 3.1Å; R370-F401 HydrophobicContact CB-CE2 4.12Å; R370-F401 HydrophobicContact CB-CZ 3.99Å; R370-F401 VanDerWaalsContact CZ-CE2 3.45Å; R370-F401 VanDerWaalsContact NH2-CD2 3.32Å; R370-F401 PolarHBondContact NH2-O 3.19Å; R370-F401 WeakPolarHBondContact O-CE2 3.48Å; R370-F401 WeakPolarHBondContact O-CZ 3.5Å; R370-D405 IonicContact CZ-OD2 3.33Å; R370-D405 IonicContact NE-OD1 3.88Å; R370-D405 IonicContact NE-OD2 3.93Å; R370-D405 PolarHBondContact NE-OD2 3.49Å; R370-D405 IonicContact NH2-OD2 3.06Å; R370-D405 PolarHBondContact NH2-OD2 2.82Å; R370-Y422 VanDerWaalsContact CB-OH 3.27Å; R370-Y422 WeakPolarHBondContact CB-OH 3.41Å
371	R	92.7	Very high	88	Confident	86 Å²	86	55 Å²	55	33%	0.325	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-41.6	173.4	-175.3	174.2	-74.9	166.5	-10.2	112.2	C367 T368 Q369 C374 Q375 Y422 E425 L426	C367-R371 WeakPolarHBondContact O-CB 3.3Å; C367-R371 PolarHBondContact O-N 2.91Å; T368-R371 PolarHBondContact O-N 3.13Å; Q369-R371 VanDerWaalsContact C-N 3.32Å; Q369-R371 PolarHBondContact O-N 3.25Å; R371-C374 PolarHBondContact O-N 3.29Å; R371-Q375 WeakPolarHBondContact O-CG 3.34Å; R371-Q375 PolarHBondContact O-N 3.17Å; R371-Y422 HydrophobicContact CB-CE2 4.47Å; R371-Y422 PolarHBondContact N-OH 2.81Å; R371-E425 IonicContact NH2-OE2 2.85Å; R371-E425 PolarHBondContact NH2-OE2 3.08Å; R371-L426 HydrophobicContact CG-CD1 4.08Å
372	K	91.3	Very high	86.9	Confident	103 Å²	103	54.3 Å²	54.3	45%	0.448	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-41.8	173.8	-68.4	172.2	-175.5	172.6	0	111.7	T368 Q369 R370 Q375 L376	T368-K372 WeakPolarHBondContact O-CG 3.27Å; T368-K372 PolarHBondContact O-N 2.94Å; T368-K372 VanDerWaalsContact O-N 3.16Å; Q369-K372 WeakPolarHBondContact O-CB 3.22Å; Q369-K372 PolarHBondContact O-N 3.18Å; Q369-K372 VanDerWaalsContact O-N 3.17Å; R370-K372 VanDerWaalsContact C-N 3.35Å; R370-K372 PolarHBondContact O-N 2.84Å; K372-Q375 PolarHBondContact O-N 3.49Å; K372-L376 WeakPolarHBondContact O-CG 3.33Å; K372-L376 PolarHBondContact O-N 3.44Å
373	Q	90.8	Very high	85.8	Confident	22 Å²	22	60.1 Å²	60.1	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-64	-43.3	177.3	-69.6	-173	-6.8	0	0	112.3	L213 Q369 R370 Q375 L376 I377 F401	L213-Q373 PolarHBondContact O-NE2 3.38Å; Q369-Q373 PolarHBondContact O-N 2.81Å; R370-Q373 PolarHBondContact O-N 3.39Å; R370-Q373 VanDerWaalsContact O-N 3.15Å; Q373-Q375 VanDerWaalsContact C-N 3.34Å; Q373-Q375 PolarHBondContact O-N 2.89Å; Q373-L376 WeakPolarHBondContact O-CB 3.42Å; Q373-L376 PolarHBondContact O-N 3.45Å; Q373-I377 WeakPolarHBondContact O-CG1 3.48Å; Q373-I377 PolarHBondContact O-N 2.87Å; Q373-F401 HydrophobicContact CB-CE2 4.35Å
374	C	92	Very high	84.8	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.027	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-44.4	174	-177.4	0	0	0	0	111.6	R370 R371 L376 I377 L378 F401 L426	R370-C374 PolarHBondContact O-N 3.1Å; R371-C374 PolarHBondContact O-N 3.29Å; C374-L376 VanDerWaalsContact C-N 3.29Å; C374-L376 PolarHBondContact O-N 2.82Å; C374-I377 PolarHBondContact O-N 3.39Å; C374-I377 VanDerWaalsContact O-N 3.17Å; C374-L378 WeakPolarHBondContact O-CG 3.35Å; C374-L378 PolarHBondContact O-N 3.11Å; C374-F401 HydrophobicContact CB-CD1 4.26Å; C374-F401 HydrophobicContact CB-CD2 4.13Å; C374-F401 HydrophobicContact CB-CE1 3.92Å; C374-F401 HydrophobicContact CB-CE2 3.72Å; C374-F401 HydrophobicContact CB-CG 4.41Å; C374-F401 HydrophobicContact CB-CZ 3.62Å; C374-L426 HydrophobicContact CB-CD1 4.13Å; C374-L426 HydrophobicContact CB-CD2 4.17Å
375	Q	90	Very high	83.7	Confident	95 Å²	95	55.6 Å²	55.6	44%	0.444	29%	0.29	S	S	.	.	H	α-helix	trans	-59.6	-38.7	175.6	-75	175.6	-10.5	0	0	112.7	R371 K372 Q373 L378 S379	R371-Q375 WeakPolarHBondContact O-CG 3.34Å; R371-Q375 PolarHBondContact O-N 3.17Å; K372-Q375 PolarHBondContact O-N 3.49Å; Q373-Q375 VanDerWaalsContact C-N 3.34Å; Q373-Q375 PolarHBondContact O-N 2.89Å; Q375-L378 PolarHBondContact O-N 3.4Å; Q375-S379 VanDerWaalsContact O-CB 3.27Å; Q375-S379 WeakPolarHBondContact O-CB 3.23Å; Q375-S379 PolarHBondContact O-N 2.71Å; Q375-S379 PolarHBondContact O-OG 3.29Å
376	L	87.6	Confident	82.4	Confident	118 Å²	118	56 Å²	56	62%	0.618	30%	0.297	S	S	*	.	H	α-helix	trans	-65.9	-38.3	176.3	-71.5	168.7	0	0	0	112.5	K372 Q373 C374 L378 S379	K372-L376 WeakPolarHBondContact O-CG 3.33Å; K372-L376 PolarHBondContact O-N 3.44Å; Q373-L376 WeakPolarHBondContact O-CB 3.42Å; Q373-L376 PolarHBondContact O-N 3.45Å; C374-L376 VanDerWaalsContact C-N 3.29Å; C374-L376 PolarHBondContact O-N 2.82Å; L376-L378 VanDerWaalsContact C-N 3.34Å; L376-S379 WeakPolarHBondContact CA-OG 3.47Å; L376-S379 PolarHBondContact O-N 3.31Å; L376-S379 PolarHBondContact O-OG 3Å; L376-S379 VanDerWaalsContact O-OG 3.07Å
377	I	87	Confident	80.8	Confident	45 Å²	45	63.5 Å²	63.5	23%	0.231	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-40.4	175.5	-64.3	165.1	0	0	0	110.3	Q373 C374 L380 I398 F401	Q373-I377 WeakPolarHBondContact O-CG1 3.48Å; Q373-I377 PolarHBondContact O-N 2.87Å; C374-I377 PolarHBondContact O-N 3.39Å; C374-I377 VanDerWaalsContact O-N 3.17Å; I377-L380 WeakPolarHBondContact O-CD1 3.4Å; I377-I398 HydrophobicContact CG2-CG1 3.73Å; I377-F401 HydrophobicContact CD1-CB 4.05Å; I377-F401 HydrophobicContact CD1-CD2 4.14Å; I377-F401 HydrophobicContact CD1-CG 4.4Å
378	L	86.6	Confident	79	Confident	20 Å²	20	69.1 Å²	69.1	11%	0.105	36%	0.359	C	S	.	.	H	α-helix	trans	-78.4	-22.1	-179.3	-65.7	172.2	0	0	0	113.7	C374 Q375 L376 L380 I398 T430 R433	C374-L378 WeakPolarHBondContact O-CG 3.35Å; C374-L378 PolarHBondContact O-N 3.11Å; Q375-L378 PolarHBondContact O-N 3.4Å; L376-L378 VanDerWaalsContact C-N 3.34Å; L378-L380 VanDerWaalsContact C-N 3.34Å; L378-L380 PolarHBondContact O-N 3.09Å; L378-I398 HydrophobicContact CD2-CD1 3.68Å; L378-I398 HydrophobicContact CD2-CG1 4.21Å; L378-T430 HydrophobicContact CD1-CG2 4.22Å; L378-T430 HydrophobicContact CD2-CG2 4.05Å; L378-R433 HydrophobicContact CD1-CB 4.45Å; L378-R433 HydrophobicContact CD1-CG 4.44Å; L378-R433 HydrophobicContact CD2-CB 4.45Å
379	S	82.2	Confident	77.9	Confident	72 Å²	72	69.9 Å²	69.9	50%	0.503	36%	0.356	S	S	.	.			trans	-82.2	74.3	-179.6	64.9	0	0	0	0	111.8	Q375 L376	Q375-S379 VanDerWaalsContact O-CB 3.27Å; Q375-S379 WeakPolarHBondContact O-CB 3.23Å; Q375-S379 PolarHBondContact O-N 2.71Å; Q375-S379 PolarHBondContact O-OG 3.29Å; L376-S379 WeakPolarHBondContact CA-OG 3.47Å; L376-S379 PolarHBondContact O-N 3.31Å; L376-S379 PolarHBondContact O-OG 3Å; L376-S379 VanDerWaalsContact O-OG 3.07Å
380	L	75.6	Confident	77.2	Confident	46 Å²	46	68.8 Å²	68.8	24%	0.241	35%	0.352	C	S	.	.			trans	-91.5	130.1	166.4	-67.7	102.2	0	0	0	110.7	I377 L378 Q384 Q385 F394	I377-L380 WeakPolarHBondContact O-CD1 3.4Å; L378-L380 VanDerWaalsContact C-N 3.34Å; L378-L380 PolarHBondContact O-N 3.09Å; L380-Q384 HydrophobicContact CD2-CB 4.41Å; L380-Q385 HydrophobicContact CB-CG 3.62Å; L380-Q385 PolarHBondContact O-NE2 2.85Å; L380-F394 HydrophobicContact CD1-CD2 3.34Å; L380-F394 HydrophobicContact CD1-CE2 3.09Å; L380-F394 HydrophobicContact CD1-CG 4.42Å; L380-F394 HydrophobicContact CD1-CZ 4Å; L380-F394 HydrophobicContact CD2-CD2 4.45Å
381	S	69.8	Low	76.9	Confident	49 Å²	49	69 Å²	69	34%	0.343	35%	0.353	S	S	.	.			trans	-64.3	151.9	170	65.6	0	0	0	0	111.1	N383 Q384 Q385	S381-N383 PolarHBondContact O-N 2.66Å; S381-N383 VanDerWaalsContact O-N 3.15Å; S381-Q384 WeakPolarHBondContact O-CB 3.48Å; S381-Q384 PolarHBondContact O-N 3.38Å; S381-Q384 WeakPolarHBondContact OG-CB 3.37Å; S381-Q384 WeakPolarHBondContact OG-CG 3.37Å; S381-Q384 PolarHBondContact OG-N 3.09Å; S381-Q384 PolarHBondContact OG-OE1 3.4Å; S381-Q385 WeakPolarHBondContact O-CG 3.04Å; S381-Q385 PolarHBondContact O-N 3Å
382	P	63.7	Low	76.4	Confident	91 Å²	91	65 Å²	65	59%	0.591	34%	0.339	S	S	*	.	H	α-helix	trans	-54.2	-36.8	179.5	-26.5	34.2	0	0	0	113.3	Q385 V386	P382-Q385 PolarHBondContact O-N 3.01Å; P382-V386 WeakPolarHBondContact O-CG2 3.32Å; P382-V386 PolarHBondContact O-N 3.19Å; P382-V386 VanDerWaalsContact O-N 3.16Å
383	N	65.4	Low	76.1	Confident	122 Å²	122	64.1 Å²	64.1	65%	0.652	34%	0.336	S	S	*	.	H	α-helix	trans	-67.7	-42.6	178.2	-65.7	-5.6	0	0	0	111.8	S381 Q385 V386 E387	S381-N383 PolarHBondContact O-N 2.66Å; S381-N383 VanDerWaalsContact O-N 3.15Å; N383-Q385 VanDerWaalsContact C-N 3.27Å; N383-Q385 PolarHBondContact O-N 2.96Å; N383-V386 PolarHBondContact O-N 3.35Å; N383-E387 WeakPolarHBondContact O-CB 3.06Å; N383-E387 PolarHBondContact O-N 2.88Å
384	Q	67.4	Low	75.9	Confident	90 Å²	90	64.1 Å²	64.1	42%	0.421	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-36.6	175.5	-74.5	166.2	-38.9	0	0	112	L380 S381 M388	L380-Q384 HydrophobicContact CD2-CB 4.41Å; S381-Q384 WeakPolarHBondContact O-CB 3.48Å; S381-Q384 PolarHBondContact O-N 3.38Å; S381-Q384 WeakPolarHBondContact OG-CB 3.37Å; S381-Q384 WeakPolarHBondContact OG-CG 3.37Å; S381-Q384 PolarHBondContact OG-N 3.09Å; S381-Q384 PolarHBondContact OG-OE1 3.4Å; Q384-M388 WeakPolarHBondContact O-CB 3.26Å; Q384-M388 WeakPolarHBondContact O-CG 3.44Å; Q384-M388 PolarHBondContact O-N 3.38Å
385	Q	67.8	Low	75.9	Confident	22 Å²	22	64 Å²	64	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-66.1	-43.1	178.1	-64	-178.8	16.2	0	0	111.7	L380 S381 P382 N383 F437 N441	L380-Q385 HydrophobicContact CB-CG 3.62Å; L380-Q385 PolarHBondContact O-NE2 2.85Å; S381-Q385 WeakPolarHBondContact O-CG 3.04Å; S381-Q385 PolarHBondContact O-N 3Å; P382-Q385 PolarHBondContact O-N 3.01Å; N383-Q385 VanDerWaalsContact C-N 3.27Å; N383-Q385 PolarHBondContact O-N 2.96Å; Q385-F437 HydrophobicContact CB-CE2 4.48Å; Q385-F437 HydrophobicContact CG-CD2 4.21Å; Q385-F437 HydrophobicContact CG-CE2 4.02Å; Q385-N441 PolarHBondContact OE1-ND2 3.47Å
386	V	60.3	Low	75.8	Confident	70 Å²	70	59.5 Å²	59.5	42%	0.424	31%	0.313	S	S	.	.	H	α-helix	trans	-74.2	-40.9	-177.6	176.4	0	0	0	0	112.3	P382 N383	P382-V386 WeakPolarHBondContact O-CG2 3.32Å; P382-V386 PolarHBondContact O-N 3.19Å; P382-V386 VanDerWaalsContact O-N 3.16Å; N383-V386 PolarHBondContact O-N 3.35Å
387	E	57.5	Low	75.9	Confident	156 Å²	156	54 Å²	54	73%	0.729	29%	0.286	S	S	*	.	H	α-helix	trans	-73.2	-43.1	-176.7	-80.9	-178.4	154.8	0	0	113.1	N383	N383-E387 WeakPolarHBondContact O-CB 3.06Å; N383-E387 PolarHBondContact O-N 2.88Å
388	M	54.2	Low	76.2	Confident	125 Å²	125	52 Å²	52	62%	0.616	28%	0.276	S	S	*	.	H	α-helix	trans	-75	-44.2	-169.2	-69.7	-67	179.7	0	0	111.4	Q384 N390	Q384-M388 WeakPolarHBondContact O-CB 3.26Å; Q384-M388 WeakPolarHBondContact O-CG 3.44Å; Q384-M388 PolarHBondContact O-N 3.38Å; M388-N390 HydrophobicContact CB-CB 4.21Å; M388-N390 PolarHBondContact O-N 2.84Å
389	R	68.8	Low	76.5	Confident	73 Å²	73	51.1 Å²	51.1	28%	0.275	27%	0.271	S	S	.	.			trans	38	24.4	-166.6	-61.9	-169.8	179.7	-152.8	6.1	113.5	Y391 S444 D450	R389-Y391 PolarHBondContact O-N 2.93Å; R389-S444 PolarHBondContact NH2-O 2.64Å; R389-D450 IonicContact CZ-OD2 3.84Å; R389-D450 IonicContact NH1-OD1 3.74Å; R389-D450 IonicContact NH1-OD2 3.75Å; R389-D450 PolarHBondContact NH1-OD2 3.43Å
390	N	77.4	Confident	76.9	Confident	34 Å²	34	47.7 Å²	47.7	18%	0.182	25%	0.247	C	C	.	.			trans	-91.2	62.5	-175.3	-166.8	4.6	0	0	0	107.4	T245 M388 G392 E393 F394	T245-N390 WeakPolarHBondContact CG2-OD1 3.45Å; M388-N390 HydrophobicContact CB-CB 4.21Å; M388-N390 PolarHBondContact O-N 2.84Å; N390-G392 PolarHBondContact O-N 2.71Å; N390-E393 HydrophobicContact CB-CB 4.41Å; N390-E393 VanDerWaalsContact ND2-CB 3.35Å; N390-E393 WeakPolarHBondContact ND2-CB 3.41Å; N390-E393 PolarHBondContact ND2-OE2 3.33Å; N390-E393 PolarHBondContact O-N 3.02Å; N390-E393 VanDerWaalsContact O-N 3.15Å; N390-F394 PolarHBondContact O-N 3.5Å; N390-F394 VanDerWaalsContact O-N 3.15Å
391	Y	85.9	Confident	77.8	Confident	6 Å²	6	45.5 Å²	45.5	2%	0.024	24%	0.236	C	C	.	.	H	α-helix	trans	-56.1	-32.6	-178.1	-60.7	-48.1	0	0	0	111.1	R389 F394 F395 F437 N441 L454 Y457	R389-Y391 PolarHBondContact O-N 2.93Å; Y391-F394 PolarHBondContact O-N 3.41Å; Y391-F395 HydrophobicContact CD1-CE2 4.49Å; Y391-F395 HydrophobicContact CG-CE2 4.47Å; Y391-F395 WeakPolarHBondContact O-CB 3.47Å; Y391-F395 WeakPolarHBondContact O-CD2 3.41Å; Y391-F395 PolarHBondContact O-N 2.93Å; Y391-F437 HydrophobicContact CD1-CE1 4.05Å; Y391-F437 AromaticContact CD1-CZ 3.83Å; Y391-F437 HydrophobicContact CD1-CZ 3.83Å; Y391-F437 HydrophobicContact CE1-CE1 4.05Å; Y391-F437 AromaticContact CE1-CZ 3.78Å; Y391-F437 HydrophobicContact CE1-CZ 3.78Å; Y391-N441 HydrophobicContact CE1-CB 4.41Å; Y391-N441 PolarHBondContact OH-OD1 2.71Å; Y391-L454 HydrophobicContact CD1-CD1 4.04Å; Y391-L454 HydrophobicContact CD2-CB 4.35Å; Y391-L454 HydrophobicContact CD2-CD1 4.32Å; Y391-L454 HydrophobicContact CE1-CD1 3.83Å; Y391-L454 HydrophobicContact CE2-CB 3.84Å; Y391-L454 HydrophobicContact CE2-CD1 4.09Å; Y391-L454 HydrophobicContact CG-CD1 4.31Å; Y391-Y457 VanDerWaalsContact CB-CD2 3.47Å; Y391-Y457 HydrophobicContact CD2-CD2 4.08Å; Y391-Y457 HydrophobicContact CG-CD2 4.27Å
392	G	83.8	Confident	78.9	Confident	3 Å²	3	43.2 Å²	43.2	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-57	-52.7	174.5	0	0	0	0	0	113.2	N390 S396	N390-G392 PolarHBondContact O-N 2.71Å; G392-S396 WeakPolarHBondContact O-CB 3.36Å; G392-S396 PolarHBondContact O-N 3.4Å; G392-S396 PolarHBondContact O-OG 3.24Å
393	E	83.3	Confident	80.3	Confident	83 Å²	83	38.9 Å²	38.9	39%	0.388	19%	0.191	S	C	.	.	H	α-helix	trans	-65.2	-40.2	178.2	-173	178.4	-177.6	0	0	112.3	I221 L246 N390 S396 G397	I221-E393 HydrophobicContact CD1-CG 4.48Å; I221-E393 HydrophobicContact CG2-CG 4.16Å; L246-E393 HydrophobicContact CD2-CB 4.11Å; N390-E393 HydrophobicContact CB-CB 4.41Å; N390-E393 VanDerWaalsContact ND2-CB 3.35Å; N390-E393 WeakPolarHBondContact ND2-CB 3.41Å; N390-E393 PolarHBondContact ND2-OE2 3.33Å; N390-E393 PolarHBondContact O-N 3.02Å; N390-E393 VanDerWaalsContact O-N 3.15Å; E393-S396 VanDerWaalsContact CA-OG 3.3Å; E393-S396 WeakPolarHBondContact CA-OG 3.39Å; E393-S396 PolarHBondContact O-OG 2.65Å; E393-G397 PolarHBondContact O-N 3.4Å
394	F	87.8	Confident	81.4	Confident	23 Å²	23	33 Å²	33	10%	0.101	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-53.8	179.2	174.7	-116.3	0	0	0	112.5	L380 N390 Y391 G397 I398 L434 F437	L380-F394 HydrophobicContact CD1-CD2 3.34Å; L380-F394 HydrophobicContact CD1-CE2 3.09Å; L380-F394 HydrophobicContact CD1-CG 4.42Å; L380-F394 HydrophobicContact CD1-CZ 4Å; L380-F394 HydrophobicContact CD2-CD2 4.45Å; N390-F394 PolarHBondContact O-N 3.5Å; N390-F394 VanDerWaalsContact O-N 3.15Å; Y391-F394 PolarHBondContact O-N 3.41Å; F394-G397 PolarHBondContact O-N 3.18Å; F394-I398 HydrophobicContact CD1-CD1 4.5Å; F394-I398 HydrophobicContact CD2-CD1 4.36Å; F394-I398 HydrophobicContact CE1-CD1 3.94Å; F394-I398 HydrophobicContact CE2-CD1 3.75Å; F394-I398 HydrophobicContact CE2-CG1 4.48Å; F394-I398 HydrophobicContact CZ-CD1 3.54Å; F394-I398 PolarHBondContact O-N 3.46Å; F394-L434 HydrophobicContact CE1-CD2 3.72Å; F394-L434 HydrophobicContact CZ-CD2 3.88Å; F394-F437 HydrophobicContact CD1-CD1 4.41Å; F394-F437 AromaticContact CD1-CE1 3.86Å; F394-F437 HydrophobicContact CD1-CE1 3.86Å; F394-F437 AromaticContact CD1-CE2 3.99Å; F394-F437 HydrophobicContact CD1-CE2 3.99Å; F394-F437 AromaticContact CD1-CZ 3.62Å; F394-F437 HydrophobicContact CD1-CZ 3.62Å; F394-F437 AromaticContact CE1-CD1 3.78Å; F394-F437 HydrophobicContact CE1-CD1 3.78Å; F394-F437 AromaticContact CE1-CD2 3.9Å; F394-F437 HydrophobicContact CE1-CD2 3.9Å; F394-F437 AromaticContact CE1-CE1 3.69Å; F394-F437 HydrophobicContact CE1-CE1 3.69Å; F394-F437 AromaticContact CE1-CE2 3.8Å; F394-F437 HydrophobicContact CE1-CE2 3.8Å; F394-F437 AromaticContact CE1-CG 3.89Å; F394-F437 HydrophobicContact CE1-CG 3.89Å; F394-F437 AromaticContact CE1-CZ 3.7Å; F394-F437 HydrophobicContact CE1-CZ 3.7Å; F394-F437 HydrophobicContact CG-CZ 4.39Å; F394-F437 HydrophobicContact CZ-CD2 4.06Å; F394-F437 HydrophobicContact CZ-CE2 4.21Å; F394-F437 HydrophobicContact CZ-CG 4.25Å
395	F	91.1	Very high	82.6	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.8	-37.2	-179.5	-73.3	-59.6	0	0	0	111.9	M228 Y391 I398 C399 L434 F437 L458 F461	M228-F395 HydrophobicContact CE-CB 3.83Å; M228-F395 HydrophobicContact SD-CB 3.86Å; Y391-F395 HydrophobicContact CD1-CE2 4.49Å; Y391-F395 HydrophobicContact CG-CE2 4.47Å; Y391-F395 WeakPolarHBondContact O-CB 3.47Å; Y391-F395 WeakPolarHBondContact O-CD2 3.41Å; Y391-F395 PolarHBondContact O-N 2.93Å; F395-I398 PolarHBondContact O-N 2.89Å; F395-C399 PolarHBondContact O-N 3.22Å; F395-C399 PolarHBondContact O-SG 3.41Å; F395-L434 HydrophobicContact CE1-CD2 4Å; F395-F437 HydrophobicContact CZ-CE1 4.23Å; F395-L458 HydrophobicContact CE1-CD1 4.42Å; F395-L458 HydrophobicContact CZ-CD1 4.25Å; F395-F461 HydrophobicContact CB-CB 4.22Å; F395-F461 HydrophobicContact CB-CD2 3.72Å; F395-F461 HydrophobicContact CB-CG 4.24Å; F395-F461 HydrophobicContact CD1-CB 3.86Å; F395-F461 HydrophobicContact CD1-CD1 4.01Å; F395-F461 AromaticContact CD1-CD2 3.47Å; F395-F461 HydrophobicContact CD1-CD2 3.47Å; F395-F461 VanDerWaalsContact CD1-CD2 3.47Å; F395-F461 HydrophobicContact CD1-CE1 4.47Å; F395-F461 AromaticContact CD1-CE2 3.99Å; F395-F461 HydrophobicContact CD1-CE2 3.99Å; F395-F461 AromaticContact CD1-CG 3.47Å; F395-F461 HydrophobicContact CD1-CG 3.47Å; F395-F461 VanDerWaalsContact CD1-CG 3.47Å; F395-F461 HydrophobicContact CD1-CZ 4.46Å; F395-F461 HydrophobicContact CE1-CB 4.38Å; F395-F461 HydrophobicContact CE1-CD1 4.19Å; F395-F461 HydrophobicContact CE1-CD2 4.43Å; F395-F461 HydrophobicContact CE1-CG 4.06Å; F395-F461 HydrophobicContact CG-CB 4.03Å; F395-F461 AromaticContact CG-CD2 3.95Å; F395-F461 HydrophobicContact CG-CD2 3.95Å; F395-F461 HydrophobicContact CG-CG 4.06Å
396	S	88.9	Confident	83.6	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.007	14%	0.135	C	C	.	.	H	α-helix	trans	-65.8	-37	174.5	59.5	0	0	0	0	112.4	I221 G224 G392 E393 I398 C399 G400	I221-S396 WeakPolarHBondContact O-CB 3.35Å; G224-S396 WeakPolarHBondContact CA-O 3.3Å; G392-S396 WeakPolarHBondContact O-CB 3.36Å; G392-S396 PolarHBondContact O-N 3.4Å; G392-S396 PolarHBondContact O-OG 3.24Å; E393-S396 VanDerWaalsContact CA-OG 3.3Å; E393-S396 WeakPolarHBondContact CA-OG 3.39Å; E393-S396 PolarHBondContact O-OG 2.65Å; S396-I398 VanDerWaalsContact C-N 3.28Å; S396-I398 PolarHBondContact O-N 2.95Å; S396-C399 PolarHBondContact O-N 3.36Å; S396-G400 PolarHBondContact O-N 3.33Å
397	G	89.7	Confident	84.9	Confident	4 Å²	4	24.8 Å²	24.8	4%	0.041	12%	0.117	C	C	.	.	H	α-helix	trans	-57.1	-41.8	172	0	0	0	0	0	112.6	E393 F394 F401	E393-G397 PolarHBondContact O-N 3.4Å; F394-G397 PolarHBondContact O-N 3.18Å; G397-F401 PolarHBondContact O-N 3.43Å; G397-F401 VanDerWaalsContact O-N 3.14Å
398	I	92.9	Very high	86.3	Confident	3 Å²	3	17.4 Å²	17.4	2%	0.015	8%	0.082	C	C	.	.	H	α-helix	trans	-71.7	-51.1	177.8	-61.5	170.6	0	0	0	111.1	I377 L378 F394 F395 S396 G400 F401 F402 T430 L434 F461	I377-I398 HydrophobicContact CG2-CG1 3.73Å; L378-I398 HydrophobicContact CD2-CD1 3.68Å; L378-I398 HydrophobicContact CD2-CG1 4.21Å; F394-I398 HydrophobicContact CD1-CD1 4.5Å; F394-I398 HydrophobicContact CD2-CD1 4.36Å; F394-I398 HydrophobicContact CE1-CD1 3.94Å; F394-I398 HydrophobicContact CE2-CD1 3.75Å; F394-I398 HydrophobicContact CE2-CG1 4.48Å; F394-I398 HydrophobicContact CZ-CD1 3.54Å; F394-I398 PolarHBondContact O-N 3.46Å; F395-I398 PolarHBondContact O-N 2.89Å; S396-I398 VanDerWaalsContact C-N 3.28Å; S396-I398 PolarHBondContact O-N 2.95Å; I398-G400 PolarHBondContact O-N 3.44Å; I398-F401 WeakPolarHBondContact O-CB 3.4Å; I398-F401 PolarHBondContact O-N 3.06Å; I398-F401 VanDerWaalsContact O-N 3.1Å; I398-F402 HydrophobicContact CG2-CD2 3.89Å; I398-F402 HydrophobicContact CG2-CE2 3.93Å; I398-F402 WeakPolarHBondContact O-CD2 3.17Å; I398-F402 PolarHBondContact O-N 3.27Å; I398-F402 VanDerWaalsContact O-N 3.11Å; I398-T430 HydrophobicContact CG2-CG2 4.03Å; I398-L434 HydrophobicContact CD1-CD2 3.69Å; I398-L434 HydrophobicContact CD1-CG 4.47Å; I398-F461 HydrophobicContact CB-CE2 3.96Å; I398-F461 HydrophobicContact CB-CZ 4.45Å; I398-F461 HydrophobicContact CG2-CE2 3.77Å; I398-F461 HydrophobicContact CG2-CZ 3.83Å
399	C	92.1	Very high	87.8	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-54.6	-45.7	177.4	-73.9	0	0	0	0	110.9	M228 F395 S396 F401 F402 V403 F461 T464	M228-C399 HydrophobicContact CG-CB 4.4Å; F395-C399 PolarHBondContact O-N 3.22Å; F395-C399 PolarHBondContact O-SG 3.41Å; S396-C399 PolarHBondContact O-N 3.36Å; C399-F401 VanDerWaalsContact C-N 3.31Å; C399-F401 PolarHBondContact O-N 3.15Å; C399-F402 PolarHBondContact O-N 3.39Å; C399-F402 VanDerWaalsContact O-N 3.17Å; C399-V403 WeakPolarHBondContact O-CB 3.23Å; C399-V403 VanDerWaalsContact O-CG2 3.22Å; C399-V403 WeakPolarHBondContact O-CG2 3.44Å; C399-V403 PolarHBondContact O-N 3.06Å; C399-F461 WeakPolarHBondContact SG-CD2 3.29Å; C399-F461 WeakPolarHBondContact SG-CE2 3.45Å; C399-T464 HydrophobicContact CB-CG2 4.3Å
400	G	91.3	Very high	88.5	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.5	-34.1	179.1	0	0	0	0	0	114.7	S220 G224 S396 I398 V404	S220-G400 WeakPolarHBondContact O-CA 3.46Å; S220-G400 PolarHBondContact OG-O 3.33Å; G224-G400 VanDerWaalsContact CA-N 3.34Å; S396-G400 PolarHBondContact O-N 3.33Å; I398-G400 PolarHBondContact O-N 3.44Å; G400-V404 VanDerWaalsContact O-CG2 3.31Å; G400-V404 WeakPolarHBondContact O-CG2 3.39Å; G400-V404 PolarHBondContact O-N 3.17Å
401	F	93.8	Very high	88.8	Confident	1 Å²	1	13.3 Å²	13.3	0%	0.004	6%	0.064	C	C	.	.	H	α-helix	trans	-62.3	-50	171.7	176.1	-81.4	0	0	0	110.6	R370 Q373 C374 I377 G397 I398 C399 V404 D405 L426	R370-F401 HydrophobicContact CB-CE2 4.12Å; R370-F401 HydrophobicContact CB-CZ 3.99Å; R370-F401 VanDerWaalsContact CZ-CE2 3.45Å; R370-F401 VanDerWaalsContact NH2-CD2 3.32Å; R370-F401 PolarHBondContact NH2-O 3.19Å; R370-F401 WeakPolarHBondContact O-CE2 3.48Å; R370-F401 WeakPolarHBondContact O-CZ 3.5Å; Q373-F401 HydrophobicContact CB-CE2 4.35Å; C374-F401 HydrophobicContact CB-CD1 4.26Å; C374-F401 HydrophobicContact CB-CD2 4.13Å; C374-F401 HydrophobicContact CB-CE1 3.92Å; C374-F401 HydrophobicContact CB-CE2 3.72Å; C374-F401 HydrophobicContact CB-CG 4.41Å; C374-F401 HydrophobicContact CB-CZ 3.62Å; I377-F401 HydrophobicContact CD1-CB 4.05Å; I377-F401 HydrophobicContact CD1-CD2 4.14Å; I377-F401 HydrophobicContact CD1-CG 4.4Å; G397-F401 PolarHBondContact O-N 3.43Å; G397-F401 VanDerWaalsContact O-N 3.14Å; I398-F401 WeakPolarHBondContact O-CB 3.4Å; I398-F401 PolarHBondContact O-N 3.06Å; I398-F401 VanDerWaalsContact O-N 3.1Å; C399-F401 VanDerWaalsContact C-N 3.31Å; C399-F401 PolarHBondContact O-N 3.15Å; F401-V404 PolarHBondContact O-N 3.47Å; F401-D405 PolarHBondContact O-N 3.18Å; F401-L426 HydrophobicContact CD1-CD2 4.41Å; F401-L426 HydrophobicContact CE1-CD2 3.32Å; F401-L426 HydrophobicContact CZ-CD2 3.7Å
402	F	94.6	Very high	88.5	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-70.7	-36.6	-177.7	-80	-82.6	0	0	0	113.1	I398 C399 V404 D405 D406 L423 L426 W427 T430 M465 F470	I398-F402 HydrophobicContact CG2-CD2 3.89Å; I398-F402 HydrophobicContact CG2-CE2 3.93Å; I398-F402 WeakPolarHBondContact O-CD2 3.17Å; I398-F402 PolarHBondContact O-N 3.27Å; I398-F402 VanDerWaalsContact O-N 3.11Å; C399-F402 PolarHBondContact O-N 3.39Å; C399-F402 VanDerWaalsContact O-N 3.17Å; F402-V404 VanDerWaalsContact C-N 3.31Å; F402-V404 PolarHBondContact O-N 2.84Å; F402-D405 PolarHBondContact O-N 3.02Å; F402-D406 WeakPolarHBondContact O-CB 3.39Å; F402-D406 PolarHBondContact O-N 2.62Å; F402-L423 HydrophobicContact CD1-CD2 4.05Å; F402-L423 HydrophobicContact CE1-CD2 4.21Å; F402-L426 HydrophobicContact CE1-CD2 4.38Å; F402-L426 HydrophobicContact CZ-CD2 4.29Å; F402-L426 HydrophobicContact CZ-CG 4.26Å; F402-W427 HydrophobicContact CD2-CE3 4.42Å; F402-W427 HydrophobicContact CD2-CZ3 4.47Å; F402-W427 HydrophobicContact CE1-CB 4.22Å; F402-W427 HydrophobicContact CE1-CE3 4.01Å; F402-W427 AromaticContact CE2-CE3 3.88Å; F402-W427 HydrophobicContact CE2-CE3 3.88Å; F402-W427 HydrophobicContact CE2-CZ3 4.15Å; F402-W427 HydrophobicContact CZ-CB 4.46Å; F402-W427 AromaticContact CZ-CE3 3.66Å; F402-W427 HydrophobicContact CZ-CE3 3.66Å; F402-W427 HydrophobicContact CZ-CZ3 4.39Å; F402-T430 HydrophobicContact CE2-CG2 3.97Å; F402-T430 HydrophobicContact CZ-CG2 4.36Å; F402-M465 HydrophobicContact CB-CE 3.63Å; F402-M465 HydrophobicContact CB-SD 4.35Å; F402-M465 HydrophobicContact CD1-CE 4.17Å; F402-M465 HydrophobicContact CD2-CE 3.87Å; F402-M465 HydrophobicContact CG-CE 3.61Å; F402-F470 HydrophobicContact CB-CE2 4.16Å; F402-F470 HydrophobicContact CB-CZ 4.26Å; F402-F470 HydrophobicContact CD1-CD1 4.46Å; F402-F470 AromaticContact CD1-CE1 3.73Å; F402-F470 HydrophobicContact CD1-CE1 3.73Å; F402-F470 HydrophobicContact CD1-CE2 4.21Å; F402-F470 AromaticContact CD1-CZ 3.6Å; F402-F470 HydrophobicContact CD1-CZ 3.6Å; F402-F470 HydrophobicContact CE1-CE1 4.13Å; F402-F470 HydrophobicContact CE1-CZ 4.43Å; F402-F470 HydrophobicContact CG-CZ 4.33Å
403	V	91.5	Very high	87.8	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.5	-43.9	175.3	167.2	0	0	0	0	111.4	A227 T333 V337 C399 F407 L468	A227-V403 HydrophobicContact CB-CG2 4.05Å; T333-V403 HydrophobicContact CG2-CG1 4.18Å; V337-V403 HydrophobicContact CG2-CG1 3.54Å; C399-V403 WeakPolarHBondContact O-CB 3.23Å; C399-V403 VanDerWaalsContact O-CG2 3.22Å; C399-V403 WeakPolarHBondContact O-CG2 3.44Å; C399-V403 PolarHBondContact O-N 3.06Å; V403-F407 WeakPolarHBondContact O-CB 3.39Å; V403-F407 PolarHBondContact O-N 3.15Å; V403-L468 HydrophobicContact CG2-CD1 3.59Å; V403-L468 HydrophobicContact CG2-CD2 4.03Å; V403-L468 HydrophobicContact CG2-CG 4.45Å
404	V	90.4	Very high	87.4	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.5	-49.2	179.9	166.8	0	0	0	0	111.4	I216 L223 F343 G400 F401 F402 D406 F407 I408	I216-V404 HydrophobicContact CD1-CG1 3.55Å; I216-V404 HydrophobicContact CD1-CG2 4.37Å; I216-V404 HydrophobicContact CG2-CB 4.5Å; I216-V404 HydrophobicContact CG2-CG1 3.97Å; I216-V404 HydrophobicContact CG2-CG2 4.13Å; L223-V404 HydrophobicContact CD1-CG2 3.63Å; F343-V404 HydrophobicContact CE1-CG1 4.12Å; G400-V404 VanDerWaalsContact O-CG2 3.31Å; G400-V404 WeakPolarHBondContact O-CG2 3.39Å; G400-V404 PolarHBondContact O-N 3.17Å; F401-V404 PolarHBondContact O-N 3.47Å; F402-V404 VanDerWaalsContact C-N 3.31Å; F402-V404 PolarHBondContact O-N 2.84Å; V404-D406 VanDerWaalsContact C-N 3.32Å; V404-F407 WeakPolarHBondContact O-CB 3.33Å; V404-F407 PolarHBondContact O-N 2.61Å; V404-I408 HydrophobicContact CG1-CD1 4.16Å; V404-I408 WeakPolarHBondContact O-CG1 3.5Å; V404-I408 PolarHBondContact O-N 3.28Å
405	D	91.4	Very high	86.7	Confident	1 Å²	1	17 Å²	17	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-72.6	-29.8	-177	-78	-125.1	0	0	0	111.8	R370 F401 F402 I408 R409 L423	R370-D405 IonicContact CZ-OD2 3.33Å; R370-D405 IonicContact NE-OD1 3.88Å; R370-D405 IonicContact NE-OD2 3.93Å; R370-D405 PolarHBondContact NE-OD2 3.49Å; R370-D405 IonicContact NH2-OD2 3.06Å; R370-D405 PolarHBondContact NH2-OD2 2.82Å; F401-D405 PolarHBondContact O-N 3.18Å; F402-D405 PolarHBondContact O-N 3.02Å; D405-I408 PolarHBondContact O-N 3.32Å; D405-R409 PolarHBondContact O-N 3.46Å; D405-L423 HydrophobicContact CB-CD2 3.81Å
406	D	89.8	Confident	86.1	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.2	-39.3	171.3	-173.4	81.8	0	0	0	111.9	Y334 F402 V404 I408 R409 H410	Y334-D406 PolarHBondContact OH-OD2 2.92Å; F402-D406 WeakPolarHBondContact O-CB 3.39Å; F402-D406 PolarHBondContact O-N 2.62Å; V404-D406 VanDerWaalsContact C-N 3.32Å; D406-I408 VanDerWaalsContact C-N 3.34Å; D406-I408 PolarHBondContact O-N 2.95Å; D406-R409 WeakPolarHBondContact O-CB 3.15Å; D406-R409 PolarHBondContact O-N 2.88Å; D406-R409 IonicContact OD1-CZ 3.71Å; D406-R409 IonicContact OD1-NE 3.32Å; D406-R409 IonicContact OD1-NH1 2.79Å; D406-R409 PolarHBondContact OD1-NH1 2.89Å; D406-R409 IonicContact OD1-NH2 3.87Å; D406-R409 PolarHBondContact OD1-NH2 3.46Å; D406-R409 IonicContact OD2-NH2 2.69Å; D406-H410 PolarHBondContact O-N 3.39Å; D406-H410 PolarHBondContact O-ND1 3.15Å; D406-H410 IonicContact OD1-CE1 3.59Å; D406-H410 IonicContact OD2-CE1 2.83Å; D406-H410 PolarHBondContact OD2-CE1 3.03Å; D406-H410 VanDerWaalsContact OD2-CE1 3.3Å; D406-H410 IonicContact OD2-ND1 3.9Å
407	F	87.7	Confident	85.8	Confident	8 Å²	8	25.3 Å²	25.3	4%	0.035	17%	0.168	C	C	.	.	H	α-helix	trans	-61.2	-43	170.5	178	-95.4	0	0	0	111.7	Y334 V337 E338 F343 V403 V404 R409 H410 T411	Y334-F407 HydrophobicContact CD1-CB 4.22Å; Y334-F407 AromaticContact CD1-CD2 3.72Å; Y334-F407 HydrophobicContact CD1-CD2 3.72Å; Y334-F407 HydrophobicContact CD1-CG 4.48Å; Y334-F407 HydrophobicContact CE1-CB 4.31Å; Y334-F407 HydrophobicContact CE1-CD2 4.47Å; Y334-F407 HydrophobicContact CG-CD2 4.33Å; V337-F407 HydrophobicContact CG1-CB 4.25Å; V337-F407 HydrophobicContact CG1-CD1 4.22Å; V337-F407 HydrophobicContact CG1-CD2 4.12Å; V337-F407 HydrophobicContact CG1-CG 3.92Å; E338-F407 HydrophobicContact CG-CE2 3.65Å; E338-F407 HydrophobicContact CG-CZ 3.6Å; F343-F407 HydrophobicContact CD1-CD1 4.09Å; F343-F407 HydrophobicContact CD1-CE1 4.15Å; F343-F407 AromaticContact CD2-CD1 3.92Å; F343-F407 HydrophobicContact CD2-CD1 3.92Å; F343-F407 AromaticContact CD2-CE1 3.38Å; F343-F407 HydrophobicContact CD2-CE1 3.38Å; F343-F407 HydrophobicContact CD2-CZ 4.23Å; F343-F407 AromaticContact CE1-CD1 3.66Å; F343-F407 HydrophobicContact CE1-CD1 3.66Å; F343-F407 HydrophobicContact CE1-CE1 4.11Å; F343-F407 AromaticContact CE2-CD1 3.49Å; F343-F407 HydrophobicContact CE2-CD1 3.49Å; F343-F407 VanDerWaalsContact CE2-CD1 3.49Å; F343-F407 AromaticContact CE2-CE1 3.34Å; F343-F407 HydrophobicContact CE2-CE1 3.34Å; F343-F407 HydrophobicContact CE2-CG 4.41Å; F343-F407 HydrophobicContact CE2-CZ 4.16Å; F343-F407 HydrophobicContact CG-CD1 4.21Å; F343-F407 AromaticContact CG-CE1 3.81Å; F343-F407 HydrophobicContact CG-CE1 3.81Å; F343-F407 AromaticContact CZ-CD1 3.34Å; F343-F407 HydrophobicContact CZ-CD1 3.34Å; F343-F407 AromaticContact CZ-CE1 3.72Å; F343-F407 HydrophobicContact CZ-CE1 3.72Å; F343-F407 HydrophobicContact CZ-CG 4.18Å; V403-F407 WeakPolarHBondContact O-CB 3.39Å; V403-F407 PolarHBondContact O-N 3.15Å; V404-F407 WeakPolarHBondContact O-CB 3.33Å; V404-F407 PolarHBondContact O-N 2.61Å; F407-R409 VanDerWaalsContact C-N 3.32Å; F407-R409 PolarHBondContact O-N 3.27Å; F407-H410 PolarHBondContact O-N 3.22Å; F407-T411 HydrophobicContact CD1-CG2 4.21Å; F407-T411 HydrophobicContact CD2-CG2 4.29Å; F407-T411 HydrophobicContact CE1-CG2 3.75Å; F407-T411 HydrophobicContact CE2-CG2 3.85Å; F407-T411 HydrophobicContact CG-CG2 4.48Å; F407-T411 HydrophobicContact CZ-CG2 3.57Å; F407-T411 WeakPolarHBondContact O-CG2 3.35Å; F407-T411 PolarHBondContact O-N 3.14Å; F407-T411 VanDerWaalsContact O-N 3.08Å; F407-T411 PolarHBondContact O-OG1 3.41Å
408	I	86.1	Confident	85.6	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-40.3	175.7	-71.7	168.5	0	0	0	110.9	F343 Y366 V404 D405 D406 H410 T411 L412 Y419	F343-I408 HydrophobicContact CD1-CD1 4.17Å; F343-I408 HydrophobicContact CD1-CG1 3.95Å; F343-I408 HydrophobicContact CE1-CD1 4.01Å; F343-I408 HydrophobicContact CE1-CG1 3.85Å; Y366-I408 HydrophobicContact CE1-CD1 4.29Å; Y366-I408 HydrophobicContact CE2-CD1 4.33Å; Y366-I408 WeakPolarHBondContact OH-CD1 3.38Å; V404-I408 HydrophobicContact CG1-CD1 4.16Å; V404-I408 WeakPolarHBondContact O-CG1 3.5Å; V404-I408 PolarHBondContact O-N 3.28Å; D405-I408 PolarHBondContact O-N 3.32Å; D406-I408 VanDerWaalsContact C-N 3.34Å; D406-I408 PolarHBondContact O-N 2.95Å; I408-H410 PolarHBondContact O-N 3.07Å; I408-T411 WeakPolarHBondContact CA-OG1 3.25Å; I408-T411 PolarHBondContact O-N 3.2Å; I408-T411 PolarHBondContact O-OG1 3.17Å; I408-L412 HydrophobicContact CG2-CD1 3.9Å; I408-L412 HydrophobicContact CG2-CD2 4.2Å; I408-L412 HydrophobicContact CG2-CG 4.43Å; I408-L412 WeakPolarHBondContact O-CB 3.34Å; I408-L412 PolarHBondContact O-N 3.16Å; I408-Y419 HydrophobicContact CG2-CE1 4.25Å
409	R	86	Confident	85.4	Confident	27 Å²	27	29.4 Å²	29.4	10%	0.102	19%	0.185	C	C	.	.	H	α-helix	trans	-54.7	-39.5	176.1	-177.1	-174.3	72.4	-155.9	-4.6	112.6	D405 D406 F407 Q420 L423	D405-R409 PolarHBondContact O-N 3.46Å; D406-R409 WeakPolarHBondContact O-CB 3.15Å; D406-R409 PolarHBondContact O-N 2.88Å; D406-R409 IonicContact OD1-CZ 3.71Å; D406-R409 IonicContact OD1-NE 3.32Å; D406-R409 IonicContact OD1-NH1 2.79Å; D406-R409 PolarHBondContact OD1-NH1 2.89Å; D406-R409 IonicContact OD1-NH2 3.87Å; D406-R409 PolarHBondContact OD1-NH2 3.46Å; D406-R409 IonicContact OD2-NH2 2.69Å; F407-R409 VanDerWaalsContact C-N 3.32Å; F407-R409 PolarHBondContact O-N 3.27Å; R409-Q420 VanDerWaalsContact CZ-OE1 3.24Å; R409-L423 HydrophobicContact CB-CD1 4.3Å
410	H	83.2	Confident	85.2	Confident	90 Å²	90	32.2 Å²	32.2	42%	0.417	20%	0.198	S	C	.	.	H	α-helix	trans	-85.8	-25.2	-177.4	-62.3	105.4	0	0	0	113.8	Y334 D406 F407 I408	Y334-H410 PolarHBondContact OH-CE1 3.15Å; Y334-H410 VanDerWaalsContact OH-CE1 3.32Å; D406-H410 PolarHBondContact O-N 3.39Å; D406-H410 PolarHBondContact O-ND1 3.15Å; D406-H410 IonicContact OD1-CE1 3.59Å; D406-H410 IonicContact OD2-CE1 2.83Å; D406-H410 PolarHBondContact OD2-CE1 3.03Å; D406-H410 VanDerWaalsContact OD2-CE1 3.3Å; D406-H410 IonicContact OD2-ND1 3.9Å; F407-H410 PolarHBondContact O-N 3.22Å; I408-H410 PolarHBondContact O-N 3.07Å
411	T	83.5	Confident	85.2	Confident	29 Å²	29	35.9 Å²	35.9	18%	0.178	22%	0.22	C	C	.	.	H	α-helix	trans	-95.1	-24	-176.9	54.2	0	0	0	0	113.7	Y347 F407 I408 S413	Y347-T411 WeakPolarHBondContact OH-CB 3.39Å; Y347-T411 PolarHBondContact OH-OG1 3.33Å; F407-T411 HydrophobicContact CD1-CG2 4.21Å; F407-T411 HydrophobicContact CD2-CG2 4.29Å; F407-T411 HydrophobicContact CE1-CG2 3.75Å; F407-T411 HydrophobicContact CE2-CG2 3.85Å; F407-T411 HydrophobicContact CG-CG2 4.48Å; F407-T411 HydrophobicContact CZ-CG2 3.57Å; F407-T411 WeakPolarHBondContact O-CG2 3.35Å; F407-T411 PolarHBondContact O-N 3.14Å; F407-T411 VanDerWaalsContact O-N 3.08Å; F407-T411 PolarHBondContact O-OG1 3.41Å; I408-T411 WeakPolarHBondContact CA-OG1 3.25Å; I408-T411 PolarHBondContact O-N 3.2Å; I408-T411 PolarHBondContact O-OG1 3.17Å; T411-S413 PolarHBondContact O-N 3Å; T411-S413 VanDerWaalsContact O-N 3.16Å
412	L	79.5	Confident	85.2	Confident	6 Å²	6	36.2 Å²	36.2	3%	0.031	22%	0.222	C	C	.	.	S	Bend	trans	-77	101.4	176.4	-109.9	68.6	0	0	0	111.9	V346 Y347 L350 I408 G414 Y419	V346-L412 HydrophobicContact CG1-CD1 4.4Å; Y347-L412 HydrophobicContact CD1-CD1 3.74Å; Y347-L412 HydrophobicContact CE1-CD1 3.48Å; Y347-L412 VanDerWaalsContact CE1-CD1 3.48Å; L350-L412 HydrophobicContact CD1-CD2 4.4Å; L350-L412 HydrophobicContact CD2-CD1 4.06Å; L350-L412 HydrophobicContact CD2-CD2 3.61Å; L350-L412 HydrophobicContact CD2-CG 3.49Å; L350-L412 VanDerWaalsContact CD2-CG 3.49Å; I408-L412 HydrophobicContact CG2-CD1 3.9Å; I408-L412 HydrophobicContact CG2-CD2 4.2Å; I408-L412 HydrophobicContact CG2-CG 4.43Å; I408-L412 WeakPolarHBondContact O-CB 3.34Å; I408-L412 PolarHBondContact O-N 3.16Å; L412-G414 PolarHBondContact O-N 3.42Å; L412-Y419 HydrophobicContact CB-CE2 4.45Å; L412-Y419 HydrophobicContact CD2-CD2 4.4Å; L412-Y419 HydrophobicContact CD2-CE2 3.41Å; L412-Y419 VanDerWaalsContact CD2-CE2 3.41Å; L412-Y419 WeakPolarHBondContact CD2-OH 3.47Å
413	S	70.3	Confident	85.1	Confident	95 Å²	95	36.2 Å²	36.2	66%	0.664	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	122.6	176.8	-72.2	0	0	0	0	112.4	R359 T411	R359-S413 PolarHBondContact NH2-O 3.17Å; T411-S413 PolarHBondContact O-N 3Å; T411-S413 VanDerWaalsContact O-N 3.16Å
414	G	74.1	Confident	85.1	Confident	84 Å²	84	39.4 Å²	39.4	87%	0.866	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.2	-3.8	171.2	0	0	0	0	0	116.7	L412	L412-G414 PolarHBondContact O-N 3.42Å
415	S	72.9	Confident	85.2	Confident	7 Å²	7	44.8 Å²	44.8	5%	0.049	26%	0.264	C	S	.	.			trans	-121.4	7.8	-177.2	-54.2	0	0	0	0	114.6	R359 E363 V417 F418 Y419	R359-S415 PolarHBondContact NE-OG 3Å; R359-S415 PolarHBondContact NH2-OG 3.33Å; E363-S415 WeakPolarHBondContact OE1-CB 3.44Å; E363-S415 PolarHBondContact OE1-OG 3.34Å; S415-V417 VanDerWaalsContact C-N 3.3Å; S415-V417 PolarHBondContact O-N 3.49Å; S415-F418 WeakPolarHBondContact O-CB 3.33Å; S415-F418 PolarHBondContact O-N 2.89Å; S415-Y419 WeakPolarHBondContact O-CD2 3.45Å; S415-Y419 PolarHBondContact O-N 3.47Å; S415-Y419 VanDerWaalsContact O-N 3.12Å
416	S	77.9	Confident	85.3	Confident	59 Å²	59	45 Å²	45	41%	0.413	27%	0.265	S	S	.	.	H	α-helix	trans	-52.7	-43.1	-172.6	-176.5	0	0	0	0	113.6	F418 Y419 Q420	S416-F418 PolarHBondContact O-N 3.49Å; S416-Y419 PolarHBondContact O-N 3.43Å; S416-Q420 WeakPolarHBondContact O-CB 3.37Å; S416-Q420 PolarHBondContact O-N 3.02Å
417	V	82.6	Confident	85.6	Confident	118 Å²	118	45.2 Å²	45.2	72%	0.715	27%	0.266	S	S	*	.	H	α-helix	trans	-65.8	-36.6	179.1	-178.5	0	0	0	0	112.7	S415 T421	S415-V417 VanDerWaalsContact C-N 3.3Å; S415-V417 PolarHBondContact O-N 3.49Å; V417-T421 PolarHBondContact O-N 3.49Å; V417-T421 VanDerWaalsContact O-N 3.15Å; V417-T421 PolarHBondContact O-OG1 2.87Å; V417-T421 VanDerWaalsContact O-OG1 3.06Å
418	F	85.7	Confident	85.8	Confident	91 Å²	91	49.1 Å²	49.1	40%	0.399	29%	0.29	S	S	.	.	H	α-helix	trans	-66.6	-47.4	177.3	174.7	-95.6	0	0	0	110.8	E363 S415 S416 Q420 T421 Y422	E363-F418 HydrophobicContact CB-CD1 4.3Å; E363-F418 HydrophobicContact CB-CE1 3.76Å; E363-F418 HydrophobicContact CB-CZ 4.27Å; S415-F418 WeakPolarHBondContact O-CB 3.33Å; S415-F418 PolarHBondContact O-N 2.89Å; S416-F418 PolarHBondContact O-N 3.49Å; F418-Q420 VanDerWaalsContact C-N 3.32Å; F418-Q420 PolarHBondContact O-N 3.39Å; F418-T421 PolarHBondContact O-N 3.48Å; F418-Y422 PolarHBondContact O-N 3.32Å
419	Y	88.3	Confident	86.1	Confident	1 Å²	1	53 Å²	53	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-33.1	177.5	-76.6	-79.1	0	0	0	112.5	E363 Y366 I408 L412 S415 S416 Y422 L423	E363-Y419 HydrophobicContact CG-CE2 4.45Å; Y366-Y419 AromaticContact CD1-CE1 3.92Å; Y366-Y419 HydrophobicContact CD1-CE1 3.92Å; Y366-Y419 HydrophobicContact CE1-CE1 4.16Å; I408-Y419 HydrophobicContact CG2-CE1 4.25Å; L412-Y419 HydrophobicContact CB-CE2 4.45Å; L412-Y419 HydrophobicContact CD2-CD2 4.4Å; L412-Y419 HydrophobicContact CD2-CE2 3.41Å; L412-Y419 VanDerWaalsContact CD2-CE2 3.41Å; L412-Y419 WeakPolarHBondContact CD2-OH 3.47Å; S415-Y419 WeakPolarHBondContact O-CD2 3.45Å; S415-Y419 PolarHBondContact O-N 3.47Å; S415-Y419 VanDerWaalsContact O-N 3.12Å; S416-Y419 PolarHBondContact O-N 3.43Å; Y419-Y422 HydrophobicContact CD1-CD1 4.44Å; Y419-Y422 PolarHBondContact O-N 2.87Å; Y419-L423 WeakPolarHBondContact O-CB 3.42Å; Y419-L423 WeakPolarHBondContact O-CG 3.37Å; Y419-L423 PolarHBondContact O-N 3.4Å
420	Q	89.5	Confident	86.4	Confident	60 Å²	60	51.7 Å²	51.7	28%	0.28	30%	0.303	S	S	.	.	H	α-helix	trans	-60.6	-54	173.6	-175.3	61.8	44.9	0	0	111.4	R409 S416 F418 Y422 L423 D424	R409-Q420 VanDerWaalsContact CZ-OE1 3.24Å; S416-Q420 WeakPolarHBondContact O-CB 3.37Å; S416-Q420 PolarHBondContact O-N 3.02Å; F418-Q420 VanDerWaalsContact C-N 3.32Å; F418-Q420 PolarHBondContact O-N 3.39Å; Q420-Y422 VanDerWaalsContact C-N 3.27Å; Q420-Y422 PolarHBondContact O-N 2.96Å; Q420-L423 PolarHBondContact O-N 3.45Å; Q420-L423 VanDerWaalsContact O-N 3.14Å; Q420-D424 PolarHBondContact NE2-OD1 3.04Å; Q420-D424 PolarHBondContact NE2-OD2 2.88Å; Q420-D424 PolarHBondContact O-N 3.14Å
421	T	90.6	Very high	86.9	Confident	76 Å²	76	48.3 Å²	48.3	47%	0.466	29%	0.289	S	S	.	.	H	α-helix	trans	-58.3	-41.3	178.5	-50.5	0	0	0	0	111.4	V417 F418 D424 E425	V417-T421 PolarHBondContact O-N 3.49Å; V417-T421 VanDerWaalsContact O-N 3.15Å; V417-T421 PolarHBondContact O-OG1 2.87Å; V417-T421 VanDerWaalsContact O-OG1 3.06Å; F418-T421 PolarHBondContact O-N 3.48Å; T421-D424 PolarHBondContact O-N 2.9Å; T421-E425 WeakPolarHBondContact O-CG 3.33Å; T421-E425 PolarHBondContact O-N 2.94Å
422	Y	92.9	Very high	87.3	Confident	9 Å²	9	50.9 Å²	50.9	4%	0.035	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-47.4	175.4	160.1	-104.6	0	0	0	112.6	C367 R370 R371 F418 Y419 Q420 L426	C367-Y422 HydrophobicContact CB-CD2 3.74Å; C367-Y422 HydrophobicContact CB-CE2 3.66Å; C367-Y422 HydrophobicContact CB-CG 4.26Å; C367-Y422 PolarHBondContact O-OH 3.21Å; R370-Y422 VanDerWaalsContact CB-OH 3.27Å; R370-Y422 WeakPolarHBondContact CB-OH 3.41Å; R371-Y422 HydrophobicContact CB-CE2 4.47Å; R371-Y422 PolarHBondContact N-OH 2.81Å; F418-Y422 PolarHBondContact O-N 3.32Å; Y419-Y422 HydrophobicContact CD1-CD1 4.44Å; Y419-Y422 PolarHBondContact O-N 2.87Å; Q420-Y422 VanDerWaalsContact C-N 3.27Å; Q420-Y422 PolarHBondContact O-N 2.96Å; Y422-L426 HydrophobicContact CE1-CD2 4.41Å; Y422-L426 HydrophobicContact CE2-CD2 4.49Å; Y422-L426 WeakPolarHBondContact O-CB 3.34Å; Y422-L426 PolarHBondContact O-N 3.28Å
423	L	93.3	Very high	87.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.2	-39.3	179.6	-79.5	175.1	0	0	0	111.6	F402 D405 R409 Y419 Q420 L426 W427 F470	F402-L423 HydrophobicContact CD1-CD2 4.05Å; F402-L423 HydrophobicContact CE1-CD2 4.21Å; D405-L423 HydrophobicContact CB-CD2 3.81Å; R409-L423 HydrophobicContact CB-CD1 4.3Å; Y419-L423 WeakPolarHBondContact O-CB 3.42Å; Y419-L423 WeakPolarHBondContact O-CG 3.37Å; Y419-L423 PolarHBondContact O-N 3.4Å; Q420-L423 PolarHBondContact O-N 3.45Å; Q420-L423 VanDerWaalsContact O-N 3.14Å; L423-L426 PolarHBondContact O-N 2.8Å; L423-W427 VanDerWaalsContact O-CB 3.25Å; L423-W427 WeakPolarHBondContact O-CB 3.2Å; L423-W427 PolarHBondContact O-N 3.32Å; L423-F470 HydrophobicContact CB-CE1 4.29Å; L423-F470 HydrophobicContact CD1-CZ 4.48Å
424	D	92.4	Very high	88.9	Confident	67 Å²	67	52 Å²	52	36%	0.358	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-47.3	177.4	-67.8	-25.2	0	0	0	111.4	Q420 T421 L426 W427 V428	Q420-D424 PolarHBondContact NE2-OD1 3.04Å; Q420-D424 PolarHBondContact NE2-OD2 2.88Å; Q420-D424 PolarHBondContact O-N 3.14Å; T421-D424 PolarHBondContact O-N 2.9Å; D424-L426 VanDerWaalsContact C-N 3.33Å; D424-L426 PolarHBondContact O-N 3.49Å; D424-W427 PolarHBondContact O-N 2.85Å; D424-V428 WeakPolarHBondContact O-CG2 3.32Å; D424-V428 PolarHBondContact O-N 3.28Å
425	E	92.7	Very high	89.8	Confident	112 Å²	112	49.9 Å²	49.9	52%	0.523	26%	0.259	S	S	.	.	H	α-helix	trans	-59	-44.5	174.6	-74.9	-179.3	178.4	0	0	112	R371 T421 H429	R371-E425 IonicContact NH2-OE2 2.85Å; R371-E425 PolarHBondContact NH2-OE2 3.08Å; T421-E425 WeakPolarHBondContact O-CG 3.33Å; T421-E425 PolarHBondContact O-N 2.94Å; E425-H429 PolarHBondContact O-N 2.73Å
426	L	93	Very high	90.5	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-68	-37.9	-178.8	-169.1	68.9	0	0	0	111.6	R371 C374 F401 F402 Y422 L423 D424 H429 T430	R371-L426 HydrophobicContact CG-CD1 4.08Å; C374-L426 HydrophobicContact CB-CD1 4.13Å; C374-L426 HydrophobicContact CB-CD2 4.17Å; F401-L426 HydrophobicContact CD1-CD2 4.41Å; F401-L426 HydrophobicContact CE1-CD2 3.32Å; F401-L426 HydrophobicContact CZ-CD2 3.7Å; F402-L426 HydrophobicContact CE1-CD2 4.38Å; F402-L426 HydrophobicContact CZ-CD2 4.29Å; F402-L426 HydrophobicContact CZ-CG 4.26Å; Y422-L426 HydrophobicContact CE1-CD2 4.41Å; Y422-L426 HydrophobicContact CE2-CD2 4.49Å; Y422-L426 WeakPolarHBondContact O-CB 3.34Å; Y422-L426 PolarHBondContact O-N 3.28Å; L423-L426 PolarHBondContact O-N 2.8Å; D424-L426 VanDerWaalsContact C-N 3.33Å; D424-L426 PolarHBondContact O-N 3.49Å; L426-H429 PolarHBondContact O-N 3.4Å; L426-T430 WeakPolarHBondContact O-CB 3.48Å; L426-T430 PolarHBondContact O-N 2.88Å; L426-T430 PolarHBondContact O-OG1 3.07Å
427	W	95.3	Very high	91.1	Very high	6 Å²	6	50.6 Å²	50.6	2%	0.023	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-44.8	177.4	-178.1	-119.9	0	0	0	111.5	F402 L423 D424 H429 T430 V431 F461 M465 F470 P471	F402-W427 HydrophobicContact CD2-CE3 4.42Å; F402-W427 HydrophobicContact CD2-CZ3 4.47Å; F402-W427 HydrophobicContact CE1-CB 4.22Å; F402-W427 HydrophobicContact CE1-CE3 4.01Å; F402-W427 AromaticContact CE2-CE3 3.88Å; F402-W427 HydrophobicContact CE2-CE3 3.88Å; F402-W427 HydrophobicContact CE2-CZ3 4.15Å; F402-W427 HydrophobicContact CZ-CB 4.46Å; F402-W427 AromaticContact CZ-CE3 3.66Å; F402-W427 HydrophobicContact CZ-CE3 3.66Å; F402-W427 HydrophobicContact CZ-CZ3 4.39Å; L423-W427 VanDerWaalsContact O-CB 3.25Å; L423-W427 WeakPolarHBondContact O-CB 3.2Å; L423-W427 PolarHBondContact O-N 3.32Å; D424-W427 PolarHBondContact O-N 2.85Å; W427-H429 VanDerWaalsContact C-N 3.28Å; W427-H429 PolarHBondContact O-N 3.42Å; W427-T430 HydrophobicContact CE3-CG2 4.13Å; W427-T430 HydrophobicContact CZ3-CG2 3.99Å; W427-T430 WeakPolarHBondContact O-CA 3.4Å; W427-T430 WeakPolarHBondContact O-CB 3.33Å; W427-T430 PolarHBondContact O-N 3.44Å; W427-V431 HydrophobicContact CD2-CG2 3.84Å; W427-V431 HydrophobicContact CE3-CG2 4.39Å; W427-V431 HydrophobicContact CG-CG2 4.29Å; W427-V431 HydrophobicContact CH2-CG2 4.16Å; W427-V431 HydrophobicContact CZ2-CG2 3.58Å; W427-V431 WeakPolarHBondContact O-CG2 3.12Å; W427-V431 PolarHBondContact O-N 3Å; W427-F461 AromaticContact CH2-CE1 3.96Å; W427-F461 HydrophobicContact CH2-CE1 3.96Å; W427-F461 AromaticContact CH2-CZ 3.99Å; W427-F461 HydrophobicContact CH2-CZ 3.99Å; W427-F461 HydrophobicContact CZ3-CZ 4.17Å; W427-M465 HydrophobicContact CE3-CE 3.94Å; W427-M465 HydrophobicContact CH2-CB 4Å; W427-M465 HydrophobicContact CH2-CE 3.87Å; W427-M465 HydrophobicContact CH2-CG 3.76Å; W427-M465 HydrophobicContact CZ2-CB 4.32Å; W427-M465 HydrophobicContact CZ3-CE 3.5Å; W427-M465 VanDerWaalsContact CZ3-CE 3.5Å; W427-M465 HydrophobicContact CZ3-CG 4.22Å; W427-M465 HydrophobicContact CZ3-SD 4.46Å; W427-F470 HydrophobicContact CB-CD1 4.23Å; W427-F470 HydrophobicContact CD2-CB 4.25Å; W427-F470 HydrophobicContact CD2-CD1 4.19Å; W427-F470 HydrophobicContact CD2-CG 4.45Å; W427-F470 AromaticContact CG-CD1 3.98Å; W427-F470 HydrophobicContact CG-CD1 3.98Å; W427-F470 HydrophobicContact CZ2-CB 4.24Å; W427-P471 PolarHBondContact NE1-O 3.38Å
428	V	92.8	Very high	91.5	Very high	90 Å²	90	45 Å²	45	55%	0.545	22%	0.223	S	C	.	.	H	α-helix	trans	-56.9	-43.2	175.3	172.1	0	0	0	0	111.3	D424 N432	D424-V428 WeakPolarHBondContact O-CG2 3.32Å; D424-V428 PolarHBondContact O-N 3.28Å; V428-N432 PolarHBondContact O-N 2.78Å; V428-N432 PolarHBondContact O-ND2 3.31Å
429	H	91.6	Very high	91.7	Very high	80 Å²	80	44.2 Å²	44.2	37%	0.37	22%	0.221	S	C	.	.	H	α-helix	trans	-64.2	-42.6	175.4	-176.6	69.8	0	0	0	112.3	E425 L426 W427 N432 R433	E425-H429 PolarHBondContact O-N 2.73Å; L426-H429 PolarHBondContact O-N 3.4Å; W427-H429 VanDerWaalsContact C-N 3.28Å; W427-H429 PolarHBondContact O-N 3.42Å; H429-N432 PolarHBondContact O-N 2.86Å; H429-R433 WeakPolarHBondContact O-CG 3.36Å; H429-R433 PolarHBondContact O-N 3.44Å
430	T	93.2	Very high	91.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-48.4	179.3	-58.4	0	0	0	0	111.3	L378 I398 F402 L426 W427 N432 R433 L434	L378-T430 HydrophobicContact CD1-CG2 4.22Å; L378-T430 HydrophobicContact CD2-CG2 4.05Å; I398-T430 HydrophobicContact CG2-CG2 4.03Å; F402-T430 HydrophobicContact CE2-CG2 3.97Å; F402-T430 HydrophobicContact CZ-CG2 4.36Å; L426-T430 WeakPolarHBondContact O-CB 3.48Å; L426-T430 PolarHBondContact O-N 2.88Å; L426-T430 PolarHBondContact O-OG1 3.07Å; W427-T430 HydrophobicContact CE3-CG2 4.13Å; W427-T430 HydrophobicContact CZ3-CG2 3.99Å; W427-T430 WeakPolarHBondContact O-CA 3.4Å; W427-T430 WeakPolarHBondContact O-CB 3.33Å; W427-T430 PolarHBondContact O-N 3.44Å; T430-N432 VanDerWaalsContact C-N 3.33Å; T430-N432 PolarHBondContact O-N 3.31Å; T430-R433 PolarHBondContact O-N 3.05Å; T430-R433 VanDerWaalsContact O-N 3.13Å; T430-L434 HydrophobicContact CG2-CD1 3.95Å; T430-L434 HydrophobicContact CG2-CG 4.3Å; T430-L434 WeakPolarHBondContact O-CG 3.4Å; T430-L434 PolarHBondContact O-N 3.43Å
431	V	93.9	Very high	91.6	Very high	19 Å²	19	45.4 Å²	45.4	12%	0.115	23%	0.228	C	C	.	.	H	α-helix	trans	-57.7	-45.5	178.6	171.5	0	0	0	0	111	W427 R433 L434 I435	W427-V431 HydrophobicContact CD2-CG2 3.84Å; W427-V431 HydrophobicContact CE3-CG2 4.39Å; W427-V431 HydrophobicContact CG-CG2 4.29Å; W427-V431 HydrophobicContact CH2-CG2 4.16Å; W427-V431 HydrophobicContact CZ2-CG2 3.58Å; W427-V431 WeakPolarHBondContact O-CG2 3.12Å; W427-V431 PolarHBondContact O-N 3Å; V431-R433 VanDerWaalsContact C-N 3.32Å; V431-R433 PolarHBondContact O-N 3.08Å; V431-L434 PolarHBondContact O-N 3.31Å; V431-L434 VanDerWaalsContact O-N 3.17Å; V431-I435 HydrophobicContact CG1-CD1 3.81Å; V431-I435 HydrophobicContact CG1-CG1 4.37Å; V431-I435 VanDerWaalsContact O-CG1 3.28Å; V431-I435 WeakPolarHBondContact O-CG1 3.42Å; V431-I435 PolarHBondContact O-N 2.72Å
432	N	91.9	Very high	91.6	Very high	84 Å²	84	41.8 Å²	41.8	45%	0.449	21%	0.206	S	C	.	.	H	α-helix	trans	-59.8	-42	177.6	-74.2	-52.7	0	0	0	112.3	V428 H429 T430 D436	V428-N432 PolarHBondContact O-N 2.78Å; V428-N432 PolarHBondContact O-ND2 3.31Å; H429-N432 PolarHBondContact O-N 2.86Å; T430-N432 VanDerWaalsContact C-N 3.33Å; T430-N432 PolarHBondContact O-N 3.31Å; N432-D436 PolarHBondContact O-N 3.07Å
433	R	90.9	Very high	91.4	Very high	122 Å²	122	48.3 Å²	48.3	46%	0.46	24%	0.235	S	C	.	.	H	α-helix	trans	-68.7	-35.7	176.1	-65.9	-67.7	87.4	161.5	0.5	112.6	L378 H429 T430 V431 D436 F437	L378-R433 HydrophobicContact CD1-CB 4.45Å; L378-R433 HydrophobicContact CD1-CG 4.44Å; L378-R433 HydrophobicContact CD2-CB 4.45Å; H429-R433 WeakPolarHBondContact O-CG 3.36Å; H429-R433 PolarHBondContact O-N 3.44Å; T430-R433 PolarHBondContact O-N 3.05Å; T430-R433 VanDerWaalsContact O-N 3.13Å; V431-R433 VanDerWaalsContact C-N 3.32Å; V431-R433 PolarHBondContact O-N 3.08Å; R433-D436 IonicContact CZ-OD2 2.77Å; R433-D436 VanDerWaalsContact CZ-OD2 3.27Å; R433-D436 IonicContact NE-OD2 3.27Å; R433-D436 PolarHBondContact NE-OD2 3.16Å; R433-D436 IonicContact NH2-OD2 2.94Å; R433-D436 PolarHBondContact NH2-OD2 3.5Å; R433-D436 PolarHBondContact O-N 3.27Å; R433-F437 WeakPolarHBondContact O-CB 3.37Å; R433-F437 PolarHBondContact O-N 3.37Å
434	L	91.7	Very high	91.1	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-67.2	-40.5	175.7	-74.5	176.6	0	0	0	112.1	F394 F395 I398 T430 V431 D436 F437 V438 F461 L475	F394-L434 HydrophobicContact CE1-CD2 3.72Å; F394-L434 HydrophobicContact CZ-CD2 3.88Å; F395-L434 HydrophobicContact CE1-CD2 4Å; I398-L434 HydrophobicContact CD1-CD2 3.69Å; I398-L434 HydrophobicContact CD1-CG 4.47Å; T430-L434 HydrophobicContact CG2-CD1 3.95Å; T430-L434 HydrophobicContact CG2-CG 4.3Å; T430-L434 WeakPolarHBondContact O-CG 3.4Å; T430-L434 PolarHBondContact O-N 3.43Å; V431-L434 PolarHBondContact O-N 3.31Å; V431-L434 VanDerWaalsContact O-N 3.17Å; L434-D436 VanDerWaalsContact C-N 3.33Å; L434-D436 PolarHBondContact O-N 2.77Å; L434-F437 WeakPolarHBondContact O-CB 3.26Å; L434-F437 PolarHBondContact O-N 3.15Å; L434-V438 WeakPolarHBondContact O-CG2 3.22Å; L434-V438 PolarHBondContact O-N 3.32Å; L434-F461 HydrophobicContact CD1-CE1 3.46Å; L434-F461 VanDerWaalsContact CD1-CE1 3.46Å; L434-F461 HydrophobicContact CD1-CZ 3.6Å; L434-L475 HydrophobicContact CB-CD1 3.98Å; L434-L475 HydrophobicContact CD1-CD2 4.26Å
435	I	91.8	Very high	90.8	Very high	41 Å²	41	47.1 Å²	47.1	21%	0.21	23%	0.232	C	C	.	.	H	α-helix	trans	-58.5	-47.9	173.7	-67.9	164	0	0	0	110.1	V431 F437 V438 H439 T478	V431-I435 HydrophobicContact CG1-CD1 3.81Å; V431-I435 HydrophobicContact CG1-CG1 4.37Å; V431-I435 VanDerWaalsContact O-CG1 3.28Å; V431-I435 WeakPolarHBondContact O-CG1 3.42Å; V431-I435 PolarHBondContact O-N 2.72Å; I435-F437 VanDerWaalsContact C-N 3.34Å; I435-F437 PolarHBondContact O-N 2.9Å; I435-V438 PolarHBondContact O-N 3.17Å; I435-H439 PolarHBondContact O-CD2 3.03Å; I435-H439 VanDerWaalsContact O-CD2 3.28Å; I435-H439 PolarHBondContact O-N 3.34Å; I435-T478 HydrophobicContact CB-CG2 4.22Å; I435-T478 HydrophobicContact CG1-CG2 3.62Å; I435-T478 HydrophobicContact CG2-CG2 4.24Å
436	D	89.5	Confident	90.4	Very high	68 Å²	68	47.9 Å²	47.9	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-59.4	-44.6	175.7	-69	-32.1	0	0	0	111.5	N432 R433 L434 H439 I440	N432-D436 PolarHBondContact O-N 3.07Å; R433-D436 IonicContact CZ-OD2 2.77Å; R433-D436 VanDerWaalsContact CZ-OD2 3.27Å; R433-D436 IonicContact NE-OD2 3.27Å; R433-D436 PolarHBondContact NE-OD2 3.16Å; R433-D436 IonicContact NH2-OD2 2.94Å; R433-D436 PolarHBondContact NH2-OD2 3.5Å; R433-D436 PolarHBondContact O-N 3.27Å; L434-D436 VanDerWaalsContact C-N 3.33Å; L434-D436 PolarHBondContact O-N 2.77Å; D436-H439 WeakPolarHBondContact O-CB 3.33Å; D436-H439 PolarHBondContact O-N 3.01Å; D436-I440 VanDerWaalsContact O-CG1 3.31Å; D436-I440 WeakPolarHBondContact O-CG1 3.37Å; D436-I440 PolarHBondContact O-N 3.43Å
437	F	89.7	Confident	90.2	Very high	12 Å²	12	49.5 Å²	49.5	5%	0.053	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-48.3	177.1	173.7	-90.3	0	0	0	112	Q385 Y391 F394 F395 R433 L434 I435 H439 I440 N441 L454	Q385-F437 HydrophobicContact CB-CE2 4.48Å; Q385-F437 HydrophobicContact CG-CD2 4.21Å; Q385-F437 HydrophobicContact CG-CE2 4.02Å; Y391-F437 HydrophobicContact CD1-CE1 4.05Å; Y391-F437 AromaticContact CD1-CZ 3.83Å; Y391-F437 HydrophobicContact CD1-CZ 3.83Å; Y391-F437 HydrophobicContact CE1-CE1 4.05Å; Y391-F437 AromaticContact CE1-CZ 3.78Å; Y391-F437 HydrophobicContact CE1-CZ 3.78Å; F394-F437 HydrophobicContact CD1-CD1 4.41Å; F394-F437 AromaticContact CD1-CE1 3.86Å; F394-F437 HydrophobicContact CD1-CE1 3.86Å; F394-F437 AromaticContact CD1-CE2 3.99Å; F394-F437 HydrophobicContact CD1-CE2 3.99Å; F394-F437 AromaticContact CD1-CZ 3.62Å; F394-F437 HydrophobicContact CD1-CZ 3.62Å; F394-F437 AromaticContact CE1-CD1 3.78Å; F394-F437 HydrophobicContact CE1-CD1 3.78Å; F394-F437 AromaticContact CE1-CD2 3.9Å; F394-F437 HydrophobicContact CE1-CD2 3.9Å; F394-F437 AromaticContact CE1-CE1 3.69Å; F394-F437 HydrophobicContact CE1-CE1 3.69Å; F394-F437 AromaticContact CE1-CE2 3.8Å; F394-F437 HydrophobicContact CE1-CE2 3.8Å; F394-F437 AromaticContact CE1-CG 3.89Å; F394-F437 HydrophobicContact CE1-CG 3.89Å; F394-F437 AromaticContact CE1-CZ 3.7Å; F394-F437 HydrophobicContact CE1-CZ 3.7Å; F394-F437 HydrophobicContact CG-CZ 4.39Å; F394-F437 HydrophobicContact CZ-CD2 4.06Å; F394-F437 HydrophobicContact CZ-CE2 4.21Å; F394-F437 HydrophobicContact CZ-CG 4.25Å; F395-F437 HydrophobicContact CZ-CE1 4.23Å; R433-F437 WeakPolarHBondContact O-CB 3.37Å; R433-F437 PolarHBondContact O-N 3.37Å; L434-F437 WeakPolarHBondContact O-CB 3.26Å; L434-F437 PolarHBondContact O-N 3.15Å; I435-F437 VanDerWaalsContact C-N 3.34Å; I435-F437 PolarHBondContact O-N 2.9Å; F437-H439 VanDerWaalsContact C-N 3.32Å; F437-H439 PolarHBondContact O-N 3.35Å; F437-I440 PolarHBondContact O-N 3.01Å; F437-N441 VanDerWaalsContact CD2-ND2 3.29Å; F437-N441 WeakPolarHBondContact CD2-ND2 3.43Å; F437-N441 WeakPolarHBondContact CE2-ND2 3.5Å; F437-N441 WeakPolarHBondContact CZ-ND2 3.37Å; F437-N441 WeakPolarHBondContact O-CB 3.39Å; F437-N441 PolarHBondContact O-N 3.45Å; F437-N441 PolarHBondContact O-ND2 2.74Å; F437-L454 HydrophobicContact CE1-CD1 4.41Å
438	V	91	Very high	89.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-42.4	179.1	172.4	0	0	0	0	110.3	L434 I435 I440 A442 L458 V482	L434-V438 WeakPolarHBondContact O-CG2 3.22Å; L434-V438 PolarHBondContact O-N 3.32Å; I435-V438 PolarHBondContact O-N 3.17Å; V438-I440 PolarHBondContact O-N 3.3Å; V438-A442 WeakPolarHBondContact O-CB 3.35Å; V438-A442 PolarHBondContact O-N 3.5Å; V438-L458 HydrophobicContact CG2-CD1 4.17Å; V438-L458 HydrophobicContact CG2-CD2 4.31Å; V438-V482 HydrophobicContact CG1-CG2 3.62Å
439	H	90.3	Very high	89.7	Confident	75 Å²	75	49.3 Å²	49.3	35%	0.347	25%	0.248	S	C	.	.	H	α-helix	trans	-59.4	-47	176.6	-91	-69.6	0	0	0	113.2	I435 D436 F437 K443 I481	I435-H439 PolarHBondContact O-CD2 3.03Å; I435-H439 VanDerWaalsContact O-CD2 3.28Å; I435-H439 PolarHBondContact O-N 3.34Å; D436-H439 WeakPolarHBondContact O-CB 3.33Å; D436-H439 PolarHBondContact O-N 3.01Å; F437-H439 VanDerWaalsContact C-N 3.32Å; F437-H439 PolarHBondContact O-N 3.35Å; H439-K443 VanDerWaalsContact O-CB 3.28Å; H439-K443 WeakPolarHBondContact O-CB 3.4Å; H439-K443 PolarHBondContact O-N 2.78Å; H439-K443 VanDerWaalsContact O-N 3.16Å; H439-I481 WeakPolarHBondContact CE1-CD1 3.43Å; H439-I481 WeakPolarHBondContact NE2-CD1 3.49Å
440	I	88.2	Confident	89.6	Confident	85 Å²	85	47.4 Å²	47.4	44%	0.436	24%	0.241	S	C	.	.	H	α-helix	trans	-66	-49.5	-179.1	-67.2	165.9	0	0	0	110.1	D436 F437 V438 K443 S444	D436-I440 VanDerWaalsContact O-CG1 3.31Å; D436-I440 WeakPolarHBondContact O-CG1 3.37Å; D436-I440 PolarHBondContact O-N 3.43Å; F437-I440 PolarHBondContact O-N 3.01Å; V438-I440 PolarHBondContact O-N 3.3Å; I440-K443 PolarHBondContact O-N 3.05Å; I440-S444 PolarHBondContact O-N 3.01Å; I440-S444 VanDerWaalsContact O-N 3.08Å; I440-S444 PolarHBondContact O-OG 3.35Å
441	N	87.5	Confident	89.5	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-46.5	-177.5	-80.2	-90.4	0	0	0	111.7	Q385 Y391 F437 K443 S444 C445 L454	Q385-N441 PolarHBondContact OE1-ND2 3.47Å; Y391-N441 HydrophobicContact CE1-CB 4.41Å; Y391-N441 PolarHBondContact OH-OD1 2.71Å; F437-N441 VanDerWaalsContact CD2-ND2 3.29Å; F437-N441 WeakPolarHBondContact CD2-ND2 3.43Å; F437-N441 WeakPolarHBondContact CE2-ND2 3.5Å; F437-N441 WeakPolarHBondContact CZ-ND2 3.37Å; F437-N441 WeakPolarHBondContact O-CB 3.39Å; F437-N441 PolarHBondContact O-N 3.45Å; F437-N441 PolarHBondContact O-ND2 2.74Å; N441-K443 VanDerWaalsContact C-N 3.28Å; N441-K443 PolarHBondContact O-N 3.22Å; N441-S444 PolarHBondContact O-N 2.88Å; N441-S444 VanDerWaalsContact O-N 3.1Å; N441-S444 PolarHBondContact O-OG 2.9Å; N441-C445 PolarHBondContact O-N 2.82Å; N441-C445 PolarHBondContact O-SG 3.05Å; N441-L454 HydrophobicContact CB-CD2 4.06Å
442	A	91	Very high	89.3	Confident	1 Å²	1	47 Å²	47	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-36.4	178.3	0	0	0	0	0	112.3	V438 L451 L454 V482 Y485	V438-A442 WeakPolarHBondContact O-CB 3.35Å; V438-A442 PolarHBondContact O-N 3.5Å; A442-L451 HydrophobicContact CB-CD2 4Å; A442-L454 HydrophobicContact CB-CD2 4.14Å; A442-V482 HydrophobicContact CB-CG2 4.39Å; A442-Y485 HydrophobicContact CB-CD2 3.76Å; A442-Y485 HydrophobicContact CB-CE2 4.3Å; A442-Y485 HydrophobicContact CB-CG 4.26Å
443	K	88.4	Confident	89.1	Confident	145 Å²	145	48.7 Å²	48.7	63%	0.63	24%	0.241	S	C	*	.	H	α-helix	trans	-69.4	-32.7	176.1	-175.3	179.3	175.2	-174.8	0	112.9	H439 I440 N441 Y485	H439-K443 VanDerWaalsContact O-CB 3.28Å; H439-K443 WeakPolarHBondContact O-CB 3.4Å; H439-K443 PolarHBondContact O-N 2.78Å; H439-K443 VanDerWaalsContact O-N 3.16Å; I440-K443 PolarHBondContact O-N 3.05Å; N441-K443 VanDerWaalsContact C-N 3.28Å; N441-K443 PolarHBondContact O-N 3.22Å; K443-Y485 HydrophobicContact CB-CE1 4.05Å; K443-Y485 HydrophobicContact CG-CE1 4.18Å
444	S	85.8	Confident	89.1	Confident	34 Å²	34	42.9 Å²	42.9	24%	0.238	22%	0.22	C	C	.	.	H	α-helix	trans	-83.5	-7.9	-178.6	71.9	0	0	0	0	114.8	R389 I440 N441	R389-S444 PolarHBondContact NH2-O 2.64Å; I440-S444 PolarHBondContact O-N 3.01Å; I440-S444 VanDerWaalsContact O-N 3.08Å; I440-S444 PolarHBondContact O-OG 3.35Å; N441-S444 PolarHBondContact O-N 2.88Å; N441-S444 VanDerWaalsContact O-N 3.1Å; N441-S444 PolarHBondContact O-OG 2.9Å
445	C	86.8	Confident	89.1	Confident	8 Å²	8	42.9 Å²	42.9	5%	0.054	22%	0.219	C	C	.	.			trans	-80.7	122.6	179.9	-71.5	0	0	0	0	111.7	N441 D450 L451	N441-C445 PolarHBondContact O-N 2.82Å; N441-C445 PolarHBondContact O-SG 3.05Å; C445-D450 HydrophobicContact CB-CB 4.39Å; C445-L451 HydrophobicContact CB-CD1 4.41Å; C445-L451 HydrophobicContact CB-CD2 3.69Å; C445-L451 HydrophobicContact CB-CG 3.7Å
446	D	85.1	Confident	89	Confident	129 Å²	129	42 Å²	42	69%	0.69	22%	0.215	S	C	*	.			trans	-97.4	-12	175.9	-62.5	-46.7	0	0	0	113.7	L489	D446-L489 WeakPolarHBondContact O-CD2 3.42Å
447	S	87.1	Confident	89	Confident	39 Å²	39	39.8 Å²	39.8	27%	0.273	20%	0.202	S	C	.	.	S	Bend	trans	-111.9	135.6	-179.3	-179.2	0	0	0	0	111.3	N449 D450 L489	S447-N449 PolarHBondContact O-N 2.96Å; S447-N449 PolarHBondContact OG-N 3.04Å; S447-D450 VanDerWaalsContact CB-OD2 3.23Å; S447-D450 WeakPolarHBondContact CB-OD2 3.47Å; S447-D450 PolarHBondContact O-N 3.38Å; S447-L489 VanDerWaalsContact C-CD2 3.48Å
448	P	90.6	Very high	89.1	Confident	19 Å²	19	39.2 Å²	39.2	12%	0.123	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-33.1	176	-20.6	31.5	0	0	0	112.7	D450 L451 I452 Y486 L489 L490	P448-D450 VanDerWaalsContact C-N 3.31Å; P448-D450 PolarHBondContact O-N 3.43Å; P448-L451 PolarHBondContact O-N 3.13Å; P448-I452 WeakPolarHBondContact O-CG1 3.43Å; P448-I452 PolarHBondContact O-N 3.11Å; P448-I452 VanDerWaalsContact O-N 3.14Å; P448-Y486 HydrophobicContact CB-CD2 4Å; P448-Y486 HydrophobicContact CB-CE2 3.53Å; P448-L489 HydrophobicContact CB-CD2 4.34Å; P448-L489 HydrophobicContact CG-CD2 3.72Å; P448-L489 HydrophobicContact CG-CG 4.35Å; P448-L489 VanDerWaalsContact N-CD2 3.35Å; P448-L490 HydrophobicContact CB-CD2 4.12Å; P448-L490 HydrophobicContact CG-CD2 3.94Å
449	N	88.5	Confident	89.1	Confident	72 Å²	72	39.6 Å²	39.6	39%	0.385	20%	0.202	S	C	.	.	H	α-helix	trans	-67.7	-31.4	179.5	-70	-43.8	0	0	0	112.4	S447 L451 I452 K453 R564	S447-N449 PolarHBondContact O-N 2.96Å; S447-N449 PolarHBondContact OG-N 3.04Å; N449-L451 VanDerWaalsContact C-N 3.35Å; N449-I452 PolarHBondContact O-N 2.84Å; N449-K453 WeakPolarHBondContact O-CG 3.37Å; N449-K453 PolarHBondContact O-N 3.31Å; N449-R564 PolarHBondContact OD1-NH1 3.34Å
450	D	88.2	Confident	89.1	Confident	40 Å²	40	36.2 Å²	36.2	21%	0.214	19%	0.186	C	C	.	.	H	α-helix	trans	-71.7	-34	178.8	-63.2	-33.9	0	0	0	111.6	R389 C445 S447 P448 K453 L454	R389-D450 IonicContact CZ-OD2 3.84Å; R389-D450 IonicContact NH1-OD1 3.74Å; R389-D450 IonicContact NH1-OD2 3.75Å; R389-D450 PolarHBondContact NH1-OD2 3.43Å; C445-D450 HydrophobicContact CB-CB 4.39Å; S447-D450 VanDerWaalsContact CB-OD2 3.23Å; S447-D450 WeakPolarHBondContact CB-OD2 3.47Å; S447-D450 PolarHBondContact O-N 3.38Å; P448-D450 VanDerWaalsContact C-N 3.31Å; P448-D450 PolarHBondContact O-N 3.43Å; D450-K453 PolarHBondContact O-N 3.27Å; D450-L454 PolarHBondContact O-N 3.04Å
451	L	91.4	Very high	89.3	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-68.7	-36.9	172.6	-70.7	169.1	0	0	0	112.1	A442 C445 P448 N449 L454 K455 V482 Y486 L489	A442-L451 HydrophobicContact CB-CD2 4Å; C445-L451 HydrophobicContact CB-CD1 4.41Å; C445-L451 HydrophobicContact CB-CD2 3.69Å; C445-L451 HydrophobicContact CB-CG 3.7Å; P448-L451 PolarHBondContact O-N 3.13Å; N449-L451 VanDerWaalsContact C-N 3.35Å; L451-L454 PolarHBondContact O-N 2.82Å; L451-K455 WeakPolarHBondContact O-CB 3.37Å; L451-K455 PolarHBondContact O-N 3.34Å; L451-V482 HydrophobicContact CB-CG1 4.17Å; L451-V482 HydrophobicContact CD2-CG1 4.04Å; L451-V482 WeakPolarHBondContact O-CG1 3.43Å; L451-Y486 HydrophobicContact CB-CD2 4.26Å; L451-Y486 HydrophobicContact CD1-CD2 4.46Å; L451-L489 HydrophobicContact CD1-CD2 4.35Å
452	I	90.7	Very high	89.5	Confident	10 Å²	10	32.3 Å²	32.3	5%	0.051	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-46.3	172.6	-68.1	170.3	0	0	0	110	P448 N449 L454 K455 D456 Y486 R564 F565	P448-I452 WeakPolarHBondContact O-CG1 3.43Å; P448-I452 PolarHBondContact O-N 3.11Å; P448-I452 VanDerWaalsContact O-N 3.14Å; N449-I452 PolarHBondContact O-N 2.84Å; I452-L454 PolarHBondContact O-N 3.16Å; I452-K455 WeakPolarHBondContact O-CB 3.38Å; I452-K455 PolarHBondContact O-N 2.98Å; I452-K455 VanDerWaalsContact O-N 3.15Å; I452-D456 WeakPolarHBondContact CG2-OD2 3.47Å; I452-D456 PolarHBondContact O-N 2.91Å; I452-Y486 HydrophobicContact CD1-CE2 3.91Å; I452-Y486 HydrophobicContact CG1-CD2 4.44Å; I452-Y486 HydrophobicContact CG1-CE2 3.9Å; I452-R564 HydrophobicContact CD1-CG 4.36Å; I452-F565 HydrophobicContact CG1-CD2 4.26Å
453	K	87.8	Confident	89.5	Confident	119 Å²	119	33.6 Å²	33.6	52%	0.517	17%	0.17	S	C	.	.	H	α-helix	trans	-57.1	-48	175.1	-73	178.1	179.1	-177.2	0	111.9	N449 D450 K455 D456 Y457	N449-K453 WeakPolarHBondContact O-CG 3.37Å; N449-K453 PolarHBondContact O-N 3.31Å; D450-K453 PolarHBondContact O-N 3.27Å; K453-K455 VanDerWaalsContact C-N 3.32Å; K453-K455 PolarHBondContact O-N 2.97Å; K453-D456 PolarHBondContact O-N 3Å; K453-Y457 VanDerWaalsContact O-CD2 3.26Å; K453-Y457 WeakPolarHBondContact O-CD2 3.49Å; K453-Y457 PolarHBondContact O-N 3.28Å
454	L	90.6	Very high	89.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.6	-45.5	176.4	177.6	59.9	0	0	0	111.4	Y391 F437 N441 A442 D450 L451 I452 L458 V482	Y391-L454 HydrophobicContact CD1-CD1 4.04Å; Y391-L454 HydrophobicContact CD2-CB 4.35Å; Y391-L454 HydrophobicContact CD2-CD1 4.32Å; Y391-L454 HydrophobicContact CE1-CD1 3.83Å; Y391-L454 HydrophobicContact CE2-CB 3.84Å; Y391-L454 HydrophobicContact CE2-CD1 4.09Å; Y391-L454 HydrophobicContact CG-CD1 4.31Å; F437-L454 HydrophobicContact CE1-CD1 4.41Å; N441-L454 HydrophobicContact CB-CD2 4.06Å; A442-L454 HydrophobicContact CB-CD2 4.14Å; D450-L454 PolarHBondContact O-N 3.04Å; L451-L454 PolarHBondContact O-N 2.82Å; I452-L454 PolarHBondContact O-N 3.16Å; L454-L458 VanDerWaalsContact O-CB 3.23Å; L454-L458 WeakPolarHBondContact O-CB 3.36Å; L454-L458 PolarHBondContact O-N 2.97Å; L454-V482 HydrophobicContact CD2-CG2 4.13Å; L454-V482 HydrophobicContact CG-CG2 4.39Å
455	K	91.2	Very high	90	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-58.4	-50.2	175.5	176.5	-156.5	70.3	86.3	0	111.6	L451 I452 K453 L458 I459 I479 V482 F565 E567	L451-K455 WeakPolarHBondContact O-CB 3.37Å; L451-K455 PolarHBondContact O-N 3.34Å; I452-K455 WeakPolarHBondContact O-CB 3.38Å; I452-K455 PolarHBondContact O-N 2.98Å; I452-K455 VanDerWaalsContact O-N 3.15Å; K453-K455 VanDerWaalsContact C-N 3.32Å; K453-K455 PolarHBondContact O-N 2.97Å; K455-L458 WeakPolarHBondContact O-CB 3.44Å; K455-L458 PolarHBondContact O-N 3.05Å; K455-I459 HydrophobicContact CD-CD1 4.23Å; K455-I459 HydrophobicContact CG-CD1 3.82Å; K455-I459 HydrophobicContact CG-CG1 4.47Å; K455-I459 WeakPolarHBondContact O-CG1 3.27Å; K455-I459 PolarHBondContact O-N 3.38Å; K455-I479 HydrophobicContact CG-CG2 4.43Å; K455-V482 HydrophobicContact CB-CG1 4.28Å; K455-F565 HydrophobicContact CB-CE2 4.3Å; K455-F565 HydrophobicContact CB-CZ 4.44Å; K455-F565 HydrophobicContact CD-CD1 4.29Å; K455-F565 HydrophobicContact CD-CD2 4.11Å; K455-F565 HydrophobicContact CD-CE1 3.96Å; K455-F565 HydrophobicContact CD-CE2 3.81Å; K455-F565 HydrophobicContact CD-CG 4.34Å; K455-F565 HydrophobicContact CD-CZ 3.71Å; K455-F565 WeakPolarHBondContact CD-O 3.22Å; K455-F565 WeakPolarHBondContact CE-O 3.21Å; K455-F565 HydrophobicContact CG-CE2 4.38Å; K455-F565 HydrophobicContact CG-CZ 4.15Å; K455-F565 PolarHBondContact NZ-O 3.05Å; K455-E567 PolarHBondContact NZ-O 2.76Å
456	D	89.6	Confident	90.3	Very high	23 Å²	23	30.1 Å²	30.1	12%	0.123	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-44.3	-175.2	-69.3	-32.9	0	0	0	111.8	L242 I452 K453 L458 I459 I460	L242-D456 HydrophobicContact CD1-CB 4.23Å; L242-D456 HydrophobicContact CD2-CB 4.2Å; I452-D456 WeakPolarHBondContact CG2-OD2 3.47Å; I452-D456 PolarHBondContact O-N 2.91Å; K453-D456 PolarHBondContact O-N 3Å; D456-L458 VanDerWaalsContact C-N 3.31Å; D456-L458 PolarHBondContact O-N 3.38Å; D456-I459 PolarHBondContact O-N 2.77Å; D456-I460 WeakPolarHBondContact O-CG1 3.36Å; D456-I460 PolarHBondContact O-N 3.01Å
457	Y	89.4	Confident	90.4	Very high	22 Å²	22	26.8 Å²	26.8	9%	0.086	13%	0.134	C	C	.	.	H	α-helix	trans	-63.2	-38.3	174.1	-82.8	-68.8	0	0	0	112.4	M228 L242 T245 Y391 K453 I460 F461	M228-Y457 HydrophobicContact CE-CD1 4.29Å; L242-Y457 HydrophobicContact CD2-CD1 3.61Å; L242-Y457 HydrophobicContact CD2-CD2 3.79Å; L242-Y457 HydrophobicContact CD2-CE1 3.52Å; L242-Y457 HydrophobicContact CD2-CE2 3.76Å; L242-Y457 HydrophobicContact CD2-CG 3.74Å; L242-Y457 WeakPolarHBondContact O-CE1 3.47Å; L242-Y457 VanDerWaalsContact O-CZ 3.3Å; L242-Y457 PolarHBondContact O-OH 3.2Å; T245-Y457 PolarHBondContact OG1-OH 2.84Å; Y391-Y457 VanDerWaalsContact CB-CD2 3.47Å; Y391-Y457 HydrophobicContact CD2-CD2 4.08Å; Y391-Y457 HydrophobicContact CG-CD2 4.27Å; K453-Y457 VanDerWaalsContact O-CD2 3.26Å; K453-Y457 WeakPolarHBondContact O-CD2 3.49Å; K453-Y457 PolarHBondContact O-N 3.28Å; Y457-I460 PolarHBondContact O-N 3.17Å; Y457-F461 VanDerWaalsContact O-CB 3.22Å; Y457-F461 WeakPolarHBondContact O-CB 3.38Å; Y457-F461 PolarHBondContact O-N 2.82Å
458	L	91.7	Very high	90.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.6	-43.3	176.8	-177.6	66.5	0	0	0	111.7	F395 V438 L454 K455 D456 F461 E462 L475 T478 I479	F395-L458 HydrophobicContact CE1-CD1 4.42Å; F395-L458 HydrophobicContact CZ-CD1 4.25Å; V438-L458 HydrophobicContact CG2-CD1 4.17Å; V438-L458 HydrophobicContact CG2-CD2 4.31Å; L454-L458 VanDerWaalsContact O-CB 3.23Å; L454-L458 WeakPolarHBondContact O-CB 3.36Å; L454-L458 PolarHBondContact O-N 2.97Å; K455-L458 WeakPolarHBondContact O-CB 3.44Å; K455-L458 PolarHBondContact O-N 3.05Å; D456-L458 VanDerWaalsContact C-N 3.31Å; D456-L458 PolarHBondContact O-N 3.38Å; L458-F461 PolarHBondContact O-N 3.18Å; L458-E462 WeakPolarHBondContact O-CB 3.16Å; L458-E462 WeakPolarHBondContact O-CG 3.45Å; L458-E462 PolarHBondContact O-N 3.29Å; L458-L475 HydrophobicContact CD1-CD1 3.9Å; L458-L475 HydrophobicContact CD1-CD2 4.18Å; L458-L475 HydrophobicContact CD1-CG 3.94Å; L458-T478 VanDerWaalsContact CD2-OG1 3.3Å; L458-T478 WeakPolarHBondContact CD2-OG1 3.48Å; L458-I479 HydrophobicContact CD2-CG1 3.72Å; L458-I479 HydrophobicContact CG-CG1 4.35Å
459	I	91.3	Very high	90.3	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-46.4	176.2	-70.5	168.5	0	0	0	110.8	I237 K455 D456 F461 E462 R463 I479 M569	I237-I459 HydrophobicContact CD1-CG2 4.22Å; K455-I459 HydrophobicContact CD-CD1 4.23Å; K455-I459 HydrophobicContact CG-CD1 3.82Å; K455-I459 HydrophobicContact CG-CG1 4.47Å; K455-I459 WeakPolarHBondContact O-CG1 3.27Å; K455-I459 PolarHBondContact O-N 3.38Å; D456-I459 PolarHBondContact O-N 2.77Å; I459-F461 VanDerWaalsContact C-N 3.32Å; I459-F461 PolarHBondContact O-N 3.44Å; I459-E462 PolarHBondContact O-N 3.36Å; I459-R463 WeakPolarHBondContact O-CG 3.44Å; I459-R463 PolarHBondContact O-N 3.06Å; I459-I479 HydrophobicContact CG1-CD1 3.75Å; I459-M569 HydrophobicContact CD1-CG 3.99Å
460	I	89.7	Confident	90.5	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.015	13%	0.132	C	C	.	.	H	α-helix	trans	-63	-43.3	178	-67.4	164.1	0	0	0	110.1	M228 A232 I237 L242 D456 Y457 R463 T464	M228-I460 HydrophobicContact CB-CG2 3.86Å; M228-I460 HydrophobicContact CE-CB 4.17Å; M228-I460 HydrophobicContact CE-CG2 3.7Å; M228-I460 HydrophobicContact CG-CG2 4.24Å; M228-I460 WeakPolarHBondContact O-CG2 3.45Å; A232-I460 HydrophobicContact CB-CD1 4.18Å; A232-I460 HydrophobicContact CB-CG1 4.29Å; A232-I460 HydrophobicContact CB-CG2 4.34Å; I237-I460 HydrophobicContact CD1-CD1 4.49Å; I237-I460 HydrophobicContact CD1-CG1 3.91Å; I237-I460 HydrophobicContact CG2-CD1 4.29Å; L242-I460 HydrophobicContact CD1-CD1 3.96Å; L242-I460 HydrophobicContact CD2-CD1 3.84Å; L242-I460 HydrophobicContact CG-CD1 4.32Å; D456-I460 WeakPolarHBondContact O-CG1 3.36Å; D456-I460 PolarHBondContact O-N 3.01Å; Y457-I460 PolarHBondContact O-N 3.17Å; I460-R463 PolarHBondContact O-N 3.03Å; I460-T464 WeakPolarHBondContact O-CB 3.41Å; I460-T464 PolarHBondContact O-N 2.99Å; I460-T464 PolarHBondContact O-OG1 2.92Å
461	F	92.5	Very high	90.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-49	176.5	175.7	-94.9	0	0	0	111.8	M228 F395 I398 C399 W427 L434 Y457 L458 I459 R463 T464 M465 L475	M228-F461 HydrophobicContact CE-CB 4.24Å; F395-F461 HydrophobicContact CB-CB 4.22Å; F395-F461 HydrophobicContact CB-CD2 3.72Å; F395-F461 HydrophobicContact CB-CG 4.24Å; F395-F461 HydrophobicContact CD1-CB 3.86Å; F395-F461 HydrophobicContact CD1-CD1 4.01Å; F395-F461 AromaticContact CD1-CD2 3.47Å; F395-F461 HydrophobicContact CD1-CD2 3.47Å; F395-F461 VanDerWaalsContact CD1-CD2 3.47Å; F395-F461 HydrophobicContact CD1-CE1 4.47Å; F395-F461 AromaticContact CD1-CE2 3.99Å; F395-F461 HydrophobicContact CD1-CE2 3.99Å; F395-F461 AromaticContact CD1-CG 3.47Å; F395-F461 HydrophobicContact CD1-CG 3.47Å; F395-F461 VanDerWaalsContact CD1-CG 3.47Å; F395-F461 HydrophobicContact CD1-CZ 4.46Å; F395-F461 HydrophobicContact CE1-CB 4.38Å; F395-F461 HydrophobicContact CE1-CD1 4.19Å; F395-F461 HydrophobicContact CE1-CD2 4.43Å; F395-F461 HydrophobicContact CE1-CG 4.06Å; F395-F461 HydrophobicContact CG-CB 4.03Å; F395-F461 AromaticContact CG-CD2 3.95Å; F395-F461 HydrophobicContact CG-CD2 3.95Å; F395-F461 HydrophobicContact CG-CG 4.06Å; I398-F461 HydrophobicContact CB-CE2 3.96Å; I398-F461 HydrophobicContact CB-CZ 4.45Å; I398-F461 HydrophobicContact CG2-CE2 3.77Å; I398-F461 HydrophobicContact CG2-CZ 3.83Å; C399-F461 WeakPolarHBondContact SG-CD2 3.29Å; C399-F461 WeakPolarHBondContact SG-CE2 3.45Å; W427-F461 AromaticContact CH2-CE1 3.96Å; W427-F461 HydrophobicContact CH2-CE1 3.96Å; W427-F461 AromaticContact CH2-CZ 3.99Å; W427-F461 HydrophobicContact CH2-CZ 3.99Å; W427-F461 HydrophobicContact CZ3-CZ 4.17Å; L434-F461 HydrophobicContact CD1-CE1 3.46Å; L434-F461 VanDerWaalsContact CD1-CE1 3.46Å; L434-F461 HydrophobicContact CD1-CZ 3.6Å; Y457-F461 VanDerWaalsContact O-CB 3.22Å; Y457-F461 WeakPolarHBondContact O-CB 3.38Å; Y457-F461 PolarHBondContact O-N 2.82Å; L458-F461 PolarHBondContact O-N 3.18Å; I459-F461 VanDerWaalsContact C-N 3.32Å; I459-F461 PolarHBondContact O-N 3.44Å; F461-R463 PolarHBondContact O-N 2.99Å; F461-T464 WeakPolarHBondContact O-CB 3.23Å; F461-T464 PolarHBondContact O-N 2.86Å; F461-M465 HydrophobicContact CD1-CG 4.37Å; F461-M465 HydrophobicContact CD2-CG 4.33Å; F461-M465 HydrophobicContact CE1-CG 3.91Å; F461-M465 HydrophobicContact CE2-CG 3.88Å; F461-M465 HydrophobicContact CE2-SD 4.3Å; F461-M465 HydrophobicContact CZ-CG 3.65Å; F461-M465 HydrophobicContact CZ-SD 4.37Å; F461-M465 WeakPolarHBondContact O-CG 3.17Å; F461-M465 PolarHBondContact O-N 3.41Å; F461-L475 HydrophobicContact CD1-CD2 3.56Å; F461-L475 HydrophobicContact CE1-CD2 3.42Å; F461-L475 VanDerWaalsContact CE1-CD2 3.42Å
462	E	92.8	Very high	90.5	Very high	5 Å²	5	27.3 Å²	27.3	2%	0.023	15%	0.152	C	C	.	.	H	α-helix	trans	-55.6	-50.7	176.4	-80	176.4	-159	0	0	111.2	L458 I459 T464 M465 Q466 I472 L475 N476 I479	L458-E462 WeakPolarHBondContact O-CB 3.16Å; L458-E462 WeakPolarHBondContact O-CG 3.45Å; L458-E462 PolarHBondContact O-N 3.29Å; I459-E462 PolarHBondContact O-N 3.36Å; E462-T464 VanDerWaalsContact C-N 3.33Å; E462-T464 PolarHBondContact O-N 3.45Å; E462-M465 PolarHBondContact O-N 3.43Å; E462-Q466 WeakPolarHBondContact O-CB 3.34Å; E462-Q466 PolarHBondContact O-N 2.85Å; E462-I472 HydrophobicContact CB-CD1 4.06Å; E462-I472 WeakPolarHBondContact O-CG2 3.47Å; E462-L475 HydrophobicContact CG-CB 4.26Å; E462-L475 HydrophobicContact CG-CD2 3.7Å; E462-L475 HydrophobicContact CG-CG 3.84Å; E462-L475 VanDerWaalsContact OE1-O 3.1Å; E462-N476 VanDerWaalsContact OE1-CA 3.31Å; E462-N476 WeakPolarHBondContact OE1-CA 3.43Å; E462-N476 PolarHBondContact OE1-N 3.35Å; E462-N476 WeakPolarHBondContact OE2-CA 3.37Å; E462-N476 PolarHBondContact OE2-ND2 3.48Å; E462-I479 WeakPolarHBondContact OE2-CD1 3.46Å
463	R	90.5	Very high	90.3	Very high	28 Å²	28	32.2 Å²	32.2	11%	0.106	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-38.7	178.6	-69.4	-175.2	-179.4	146.8	1.4	112.6	S235 I459 I460 F461 Q466 N467 N568 D570	S235-R463 WeakPolarHBondContact OG-CD 3.25Å; S235-R463 PolarHBondContact OG-NH1 2.96Å; I459-R463 WeakPolarHBondContact O-CG 3.44Å; I459-R463 PolarHBondContact O-N 3.06Å; I460-R463 PolarHBondContact O-N 3.03Å; F461-R463 PolarHBondContact O-N 2.99Å; R463-Q466 PolarHBondContact O-N 3.14Å; R463-N467 WeakPolarHBondContact O-CB 3.42Å; R463-N467 PolarHBondContact O-N 3.36Å; R463-N467 PolarHBondContact O-ND2 3.47Å; R463-N467 PolarHBondContact O-OD1 2.86Å; R463-N568 PolarHBondContact NH2-O 2.96Å; R463-D570 IonicContact CZ-OD2 2.66Å; R463-D570 IonicContact NE-OD2 3.3Å; R463-D570 PolarHBondContact NE-OD2 3.37Å; R463-D570 IonicContact NH2-OD1 3.82Å; R463-D570 PolarHBondContact NH2-OD1 3.41Å; R463-D570 VanDerWaalsContact NH2-OD1 3.08Å; R463-D570 IonicContact NH2-OD2 3.66Å; R463-D570 PolarHBondContact NH2-OD2 3.33Å
464	T	91.2	Very high	90.1	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-47.4	176.5	-53.5	0	0	0	0	110.8	A227 M228 A231 C399 I460 F461 E462 N467 L468	A227-T464 HydrophobicContact CB-CG2 3.76Å; M228-T464 WeakPolarHBondContact CA-OG1 3.29Å; M228-T464 HydrophobicContact CG-CG2 4.2Å; A231-T464 VanDerWaalsContact CB-OG1 3.23Å; A231-T464 WeakPolarHBondContact CB-OG1 3.5Å; C399-T464 HydrophobicContact CB-CG2 4.3Å; I460-T464 WeakPolarHBondContact O-CB 3.41Å; I460-T464 PolarHBondContact O-N 2.99Å; I460-T464 PolarHBondContact O-OG1 2.92Å; F461-T464 WeakPolarHBondContact O-CB 3.23Å; F461-T464 PolarHBondContact O-N 2.86Å; E462-T464 VanDerWaalsContact C-N 3.33Å; E462-T464 PolarHBondContact O-N 3.45Å; T464-N467 PolarHBondContact O-N 3.21Å; T464-L468 WeakPolarHBondContact O-CG 3.39Å; T464-L468 PolarHBondContact O-N 3.15Å
465	M	93.6	Very high	90	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70.1	-35.4	179.8	-66.6	-52.6	-62.6	0	0	112.4	F402 W427 F461 E462 L468 G469 F470 I472	F402-M465 HydrophobicContact CB-CE 3.63Å; F402-M465 HydrophobicContact CB-SD 4.35Å; F402-M465 HydrophobicContact CD1-CE 4.17Å; F402-M465 HydrophobicContact CD2-CE 3.87Å; F402-M465 HydrophobicContact CG-CE 3.61Å; W427-M465 HydrophobicContact CE3-CE 3.94Å; W427-M465 HydrophobicContact CH2-CB 4Å; W427-M465 HydrophobicContact CH2-CE 3.87Å; W427-M465 HydrophobicContact CH2-CG 3.76Å; W427-M465 HydrophobicContact CZ2-CB 4.32Å; W427-M465 HydrophobicContact CZ3-CE 3.5Å; W427-M465 VanDerWaalsContact CZ3-CE 3.5Å; W427-M465 HydrophobicContact CZ3-CG 4.22Å; W427-M465 HydrophobicContact CZ3-SD 4.46Å; F461-M465 HydrophobicContact CD1-CG 4.37Å; F461-M465 HydrophobicContact CD2-CG 4.33Å; F461-M465 HydrophobicContact CE1-CG 3.91Å; F461-M465 HydrophobicContact CE2-CG 3.88Å; F461-M465 HydrophobicContact CE2-SD 4.3Å; F461-M465 HydrophobicContact CZ-CG 3.65Å; F461-M465 HydrophobicContact CZ-SD 4.37Å; F461-M465 WeakPolarHBondContact O-CG 3.17Å; F461-M465 PolarHBondContact O-N 3.41Å; E462-M465 PolarHBondContact O-N 3.43Å; M465-L468 PolarHBondContact O-N 3.17Å; M465-L468 HydrophobicContact SD-CD1 4.05Å; M465-G469 PolarHBondContact O-N 2.9Å; M465-F470 HydrophobicContact CB-CB 4.4Å; M465-F470 HydrophobicContact CE-CB 4.17Å; M465-F470 HydrophobicContact CE-CD1 4.47Å; M465-F470 HydrophobicContact CE-CD2 3.37Å; M465-F470 HydrophobicContact CE-CE2 3.83Å; M465-F470 HydrophobicContact CE-CG 3.75Å; M465-F470 WeakPolarHBondContact O-CB 3.45Å; M465-F470 PolarHBondContact O-N 3.19Å; M465-I472 HydrophobicContact CB-CG2 4.23Å
466	Q	91.7	Very high	89.9	Confident	110 Å²	110	31.7 Å²	31.7	51%	0.514	19%	0.192	S	C	.	.	H	α-helix	trans	-64.3	-42.1	174.1	-173.2	177.6	15.8	0	0	111.9	E462 R463 L468 G469 I472	E462-Q466 WeakPolarHBondContact O-CB 3.34Å; E462-Q466 PolarHBondContact O-N 2.85Å; R463-Q466 PolarHBondContact O-N 3.14Å; Q466-L468 PolarHBondContact O-N 2.86Å; Q466-G469 PolarHBondContact O-N 3.43Å; Q466-I472 HydrophobicContact CB-CD1 3.99Å; Q466-I472 HydrophobicContact CB-CG1 4.25Å; Q466-I472 HydrophobicContact CB-CG2 4.16Å; Q466-I472 HydrophobicContact CG-CD1 4.27Å; Q466-I472 HydrophobicContact CG-CG1 4.41Å
467	N	87.7	Confident	89.9	Confident	60 Å²	60	37.6 Å²	37.6	32%	0.321	22%	0.219	S	C	.	.	H	α-helix	trans	-62.7	-30.3	175.5	-70.2	-9.6	0	0	0	112	C330 R463 T464 G469	C330-N467 PolarHBondContact SG-O 3.48Å; R463-N467 WeakPolarHBondContact O-CB 3.42Å; R463-N467 PolarHBondContact O-N 3.36Å; R463-N467 PolarHBondContact O-ND2 3.47Å; R463-N467 PolarHBondContact O-OD1 2.86Å; T464-N467 PolarHBondContact O-N 3.21Å; N467-G469 PolarHBondContact O-N 3.13Å
468	L	87.7	Confident	89.9	Confident	9 Å²	9	36.6 Å²	36.6	5%	0.047	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	0.2	173.6	-65.2	168.1	0	0	0	113.5	V403 T464 M465 Q466 F470	V403-L468 HydrophobicContact CG2-CD1 3.59Å; V403-L468 HydrophobicContact CG2-CD2 4.03Å; V403-L468 HydrophobicContact CG2-CG 4.45Å; T464-L468 WeakPolarHBondContact O-CG 3.39Å; T464-L468 PolarHBondContact O-N 3.15Å; M465-L468 PolarHBondContact O-N 3.17Å; M465-L468 HydrophobicContact SD-CD1 4.05Å; Q466-L468 PolarHBondContact O-N 2.86Å; L468-F470 HydrophobicContact CB-CD2 3.68Å; L468-F470 HydrophobicContact CB-CE2 3.78Å
469	G	88	Confident	89.9	Confident	64 Å²	64	37.3 Å²	37.3	66%	0.66	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.2	11.6	178.2	0	0	0	0	0	115.3	M465 Q466 N467	M465-G469 PolarHBondContact O-N 2.9Å; Q466-G469 PolarHBondContact O-N 3.43Å; N467-G469 PolarHBondContact O-N 3.13Å
470	F	92.6	Very high	89.9	Confident	6 Å²	6	37.8 Å²	37.8	3%	0.026	23%	0.226	C	C	.	.			trans	-87.4	139.6	177.3	-64.1	-84.5	0	0	0	112.1	F402 L423 W427 M465 L468 I472	F402-F470 HydrophobicContact CB-CE2 4.16Å; F402-F470 HydrophobicContact CB-CZ 4.26Å; F402-F470 HydrophobicContact CD1-CD1 4.46Å; F402-F470 AromaticContact CD1-CE1 3.73Å; F402-F470 HydrophobicContact CD1-CE1 3.73Å; F402-F470 HydrophobicContact CD1-CE2 4.21Å; F402-F470 AromaticContact CD1-CZ 3.6Å; F402-F470 HydrophobicContact CD1-CZ 3.6Å; F402-F470 HydrophobicContact CE1-CE1 4.13Å; F402-F470 HydrophobicContact CE1-CZ 4.43Å; F402-F470 HydrophobicContact CG-CZ 4.33Å; L423-F470 HydrophobicContact CB-CE1 4.29Å; L423-F470 HydrophobicContact CD1-CZ 4.48Å; W427-F470 HydrophobicContact CB-CD1 4.23Å; W427-F470 HydrophobicContact CD2-CB 4.25Å; W427-F470 HydrophobicContact CD2-CD1 4.19Å; W427-F470 HydrophobicContact CD2-CG 4.45Å; W427-F470 AromaticContact CG-CD1 3.98Å; W427-F470 HydrophobicContact CG-CD1 3.98Å; W427-F470 HydrophobicContact CZ2-CB 4.24Å; M465-F470 HydrophobicContact CB-CB 4.4Å; M465-F470 HydrophobicContact CE-CB 4.17Å; M465-F470 HydrophobicContact CE-CD1 4.47Å; M465-F470 HydrophobicContact CE-CD2 3.37Å; M465-F470 HydrophobicContact CE-CE2 3.83Å; M465-F470 HydrophobicContact CE-CG 3.75Å; M465-F470 WeakPolarHBondContact O-CB 3.45Å; M465-F470 PolarHBondContact O-N 3.19Å; L468-F470 HydrophobicContact CB-CD2 3.68Å; L468-F470 HydrophobicContact CB-CE2 3.78Å; F470-I472 PolarHBondContact O-N 3.37Å
471	P	91.2	Very high	89.9	Confident	82 Å²	82	38.2 Å²	38.2	53%	0.532	23%	0.228	S	C	.	.			trans	-72.8	124.4	179.9	27.8	-33.5	0	0	0	111.8	W427	W427-P471 PolarHBondContact NE1-O 3.38Å
472	I	89.9	Confident	90	Very high	20 Å²	20	38.2 Å²	38.2	10%	0.103	23%	0.228	C	C	.	.			trans	-107	3.5	-175	59.6	158.7	0	0	0	115.2	E462 M465 Q466 F470 G474 L475 N476	E462-I472 HydrophobicContact CB-CD1 4.06Å; E462-I472 WeakPolarHBondContact O-CG2 3.47Å; M465-I472 HydrophobicContact CB-CG2 4.23Å; Q466-I472 HydrophobicContact CB-CD1 3.99Å; Q466-I472 HydrophobicContact CB-CG1 4.25Å; Q466-I472 HydrophobicContact CB-CG2 4.16Å; Q466-I472 HydrophobicContact CG-CD1 4.27Å; Q466-I472 HydrophobicContact CG-CG1 4.41Å; F470-I472 PolarHBondContact O-N 3.37Å; I472-G474 PolarHBondContact O-N 3.41Å; I472-L475 PolarHBondContact O-N 3.19Å; I472-N476 PolarHBondContact O-N 3.35Å
473	T	85.5	Confident	90	Very high	113 Å²	113	39.8 Å²	39.8	69%	0.693	24%	0.235	S	C	*	.	H	α-helix	trans	-54.5	-48	-170.5	48.7	0	0	0	0	113.7	L475 N476	T473-L475 VanDerWaalsContact C-N 3.3Å; T473-L475 PolarHBondContact O-N 2.88Å; T473-N476 PolarHBondContact O-N 3.18Å
474	G	83.8	Confident	90	Very high	27 Å²	27	46 Å²	46	28%	0.278	26%	0.259	S	S	.	.	H	α-helix	trans	-69.8	-24.4	178.7	0	0	0	0	0	114.3	I472	I472-G474 PolarHBondContact O-N 3.41Å
475	L	88.9	Confident	90	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-80	-38.6	177.7	-168.8	59.7	0	0	0	111	L434 L458 F461 E462 I472 T473 E477 T478	L434-L475 HydrophobicContact CB-CD1 3.98Å; L434-L475 HydrophobicContact CD1-CD2 4.26Å; L458-L475 HydrophobicContact CD1-CD1 3.9Å; L458-L475 HydrophobicContact CD1-CD2 4.18Å; L458-L475 HydrophobicContact CD1-CG 3.94Å; F461-L475 HydrophobicContact CD1-CD2 3.56Å; F461-L475 HydrophobicContact CE1-CD2 3.42Å; F461-L475 VanDerWaalsContact CE1-CD2 3.42Å; E462-L475 HydrophobicContact CG-CB 4.26Å; E462-L475 HydrophobicContact CG-CD2 3.7Å; E462-L475 HydrophobicContact CG-CG 3.84Å; E462-L475 VanDerWaalsContact OE1-O 3.1Å; I472-L475 PolarHBondContact O-N 3.19Å; T473-L475 VanDerWaalsContact C-N 3.3Å; T473-L475 PolarHBondContact O-N 2.88Å; L475-E477 VanDerWaalsContact C-N 3.26Å; L475-E477 PolarHBondContact O-N 3.1Å; L475-T478 HydrophobicContact CD1-CG2 4.3Å; L475-T478 WeakPolarHBondContact O-CA 3.48Å; L475-T478 VanDerWaalsContact O-CB 3.23Å; L475-T478 WeakPolarHBondContact O-CB 3.18Å; L475-T478 WeakPolarHBondContact O-CG2 3.14Å; L475-T478 PolarHBondContact O-N 3.39Å; L475-T478 PolarHBondContact O-OG1 2.89Å
476	N	88.1	Confident	90.1	Very high	82 Å²	82	48.3 Å²	48.3	44%	0.439	27%	0.268	S	S	.	.	H	α-helix	trans	-58.3	-37.1	178.4	-167.4	-91.8	0	0	0	112.9	E462 I472 T473 T478 I479	E462-N476 VanDerWaalsContact OE1-CA 3.31Å; E462-N476 WeakPolarHBondContact OE1-CA 3.43Å; E462-N476 PolarHBondContact OE1-N 3.35Å; E462-N476 WeakPolarHBondContact OE2-CA 3.37Å; E462-N476 PolarHBondContact OE2-ND2 3.48Å; I472-N476 PolarHBondContact O-N 3.35Å; T473-N476 PolarHBondContact O-N 3.18Å; N476-T478 PolarHBondContact O-N 3.17Å; N476-T478 VanDerWaalsContact O-N 3.09Å; N476-I479 WeakPolarHBondContact O-CB 3.49Å; N476-I479 PolarHBondContact O-N 2.83Å; N476-I479 VanDerWaalsContact O-N 3.1Å
477	E	89.1	Confident	90.1	Very high	146 Å²	146	44.5 Å²	44.5	68%	0.682	25%	0.249	S	C	*	.	H	α-helix	trans	-58.9	-23.3	174.1	-67	-178.2	-172.2	0	0	112.9	L475 I479 G480	L475-E477 VanDerWaalsContact C-N 3.26Å; L475-E477 PolarHBondContact O-N 3.1Å; E477-I479 VanDerWaalsContact C-N 3.33Å; E477-I479 PolarHBondContact O-N 3.28Å; E477-G480 PolarHBondContact O-N 3.19Å
478	T	91.1	Very high	90.2	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-73.4	-22.6	179.2	74.7	0	0	0	0	113.8	I435 L458 L475 N476 G480 I481 V482	I435-T478 HydrophobicContact CB-CG2 4.22Å; I435-T478 HydrophobicContact CG1-CG2 3.62Å; I435-T478 HydrophobicContact CG2-CG2 4.24Å; L458-T478 VanDerWaalsContact CD2-OG1 3.3Å; L458-T478 WeakPolarHBondContact CD2-OG1 3.48Å; L475-T478 HydrophobicContact CD1-CG2 4.3Å; L475-T478 WeakPolarHBondContact O-CA 3.48Å; L475-T478 VanDerWaalsContact O-CB 3.23Å; L475-T478 WeakPolarHBondContact O-CB 3.18Å; L475-T478 WeakPolarHBondContact O-CG2 3.14Å; L475-T478 PolarHBondContact O-N 3.39Å; L475-T478 PolarHBondContact O-OG1 2.89Å; N476-T478 PolarHBondContact O-N 3.17Å; N476-T478 VanDerWaalsContact O-N 3.09Å; T478-G480 PolarHBondContact O-N 2.6Å; T478-I481 HydrophobicContact CG2-CD1 4.11Å; T478-I481 WeakPolarHBondContact O-CA 3.44Å; T478-I481 VanDerWaalsContact O-CB 3.25Å; T478-I481 WeakPolarHBondContact O-CB 3.34Å; T478-I481 PolarHBondContact O-N 3.07Å; T478-V482 PolarHBondContact O-N 3.25Å; T478-V482 VanDerWaalsContact O-N 3.12Å
479	I	91.7	Very high	90.5	Very high	14 Å²	14	50 Å²	50	7%	0.072	27%	0.268	C	S	.	.	H	α-helix	trans	-57.9	-39.6	169	-63.2	171.8	0	0	0	109.8	K455 L458 I459 E462 N476 E477 I481 V482 Q483 M569	K455-I479 HydrophobicContact CG-CG2 4.43Å; L458-I479 HydrophobicContact CD2-CG1 3.72Å; L458-I479 HydrophobicContact CG-CG1 4.35Å; I459-I479 HydrophobicContact CG1-CD1 3.75Å; E462-I479 WeakPolarHBondContact OE2-CD1 3.46Å; N476-I479 WeakPolarHBondContact O-CB 3.49Å; N476-I479 PolarHBondContact O-N 2.83Å; N476-I479 VanDerWaalsContact O-N 3.1Å; E477-I479 VanDerWaalsContact C-N 3.33Å; E477-I479 PolarHBondContact O-N 3.28Å; I479-I481 PolarHBondContact O-N 2.8Å; I479-V482 PolarHBondContact O-N 3.35Å; I479-Q483 WeakPolarHBondContact O-CB 3.3Å; I479-Q483 PolarHBondContact O-N 3.34Å; I479-M569 HydrophobicContact CG2-SD 3.49Å; I479-M569 WeakPolarHBondContact CG2-SD 3.47Å
480	G	90.1	Very high	90.7	Very high	19 Å²	19	47 Å²	47	20%	0.196	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-28.9	173.9	0	0	0	0	0	113.4	E477 T478 R484	E477-G480 PolarHBondContact O-N 3.19Å; T478-G480 PolarHBondContact O-N 2.6Å; G480-R484 WeakPolarHBondContact O-CG 3.28Å; G480-R484 PolarHBondContact O-N 3.4Å; G480-R484 PolarHBondContact O-NH1 2.72Å
481	I	90.8	Very high	90.7	Very high	12 Å²	12	47 Å²	47	6%	0.062	24%	0.238	C	C	.	.	H	α-helix	trans	-68.9	-51	172.3	-60	161	0	0	0	110.2	H439 T478 I479 Q483 R484 Y485	H439-I481 WeakPolarHBondContact CE1-CD1 3.43Å; H439-I481 WeakPolarHBondContact NE2-CD1 3.49Å; T478-I481 HydrophobicContact CG2-CD1 4.11Å; T478-I481 WeakPolarHBondContact O-CA 3.44Å; T478-I481 VanDerWaalsContact O-CB 3.25Å; T478-I481 WeakPolarHBondContact O-CB 3.34Å; T478-I481 PolarHBondContact O-N 3.07Å; I479-I481 PolarHBondContact O-N 2.8Å; I481-Q483 PolarHBondContact O-N 3.46Å; I481-R484 VanDerWaalsContact CG1-NH2 3.26Å; I481-R484 PolarHBondContact O-N 3.5Å; I481-R484 VanDerWaalsContact O-N 3.13Å; I481-Y485 HydrophobicContact CG2-CD2 3.89Å; I481-Y485 HydrophobicContact CG2-CE2 3.78Å; I481-Y485 WeakPolarHBondContact O-CD2 3.31Å; I481-Y485 PolarHBondContact O-N 3.01Å
482	V	93.5	Very high	90.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57	-42.9	179.2	-177.4	0	0	0	0	110.2	V438 A442 L451 L454 K455 T478 I479 R484 Y485 Y486 F565	V438-V482 HydrophobicContact CG1-CG2 3.62Å; A442-V482 HydrophobicContact CB-CG2 4.39Å; L451-V482 HydrophobicContact CB-CG1 4.17Å; L451-V482 HydrophobicContact CD2-CG1 4.04Å; L451-V482 WeakPolarHBondContact O-CG1 3.43Å; L454-V482 HydrophobicContact CD2-CG2 4.13Å; L454-V482 HydrophobicContact CG-CG2 4.39Å; K455-V482 HydrophobicContact CB-CG1 4.28Å; T478-V482 PolarHBondContact O-N 3.25Å; T478-V482 VanDerWaalsContact O-N 3.12Å; I479-V482 PolarHBondContact O-N 3.35Å; V482-R484 PolarHBondContact O-N 3.25Å; V482-Y485 PolarHBondContact O-N 3.09Å; V482-Y486 WeakPolarHBondContact O-CB 3.37Å; V482-Y486 PolarHBondContact O-N 3.36Å; V482-F565 HydrophobicContact CG1-CE2 4.12Å; V482-F565 HydrophobicContact CG1-CZ 4.28Å
483	Q	92.6	Very high	90.9	Very high	37 Å²	37	49.7 Å²	49.7	17%	0.173	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-43.3	176.7	-172.5	177.9	44.3	0	0	113.1	I479 I481 Y485 Y486 H487 F565	I479-Q483 WeakPolarHBondContact O-CB 3.3Å; I479-Q483 PolarHBondContact O-N 3.34Å; I481-Q483 PolarHBondContact O-N 3.46Å; Q483-Y485 VanDerWaalsContact C-N 3.34Å; Q483-Y485 PolarHBondContact O-N 3.13Å; Q483-Y486 PolarHBondContact O-N 3.02Å; Q483-H487 WeakPolarHBondContact CG-CE1 3.38Å; Q483-H487 PolarHBondContact O-N 2.89Å; Q483-H487 PolarHBondContact O-ND1 2.85Å; Q483-H487 VanDerWaalsContact O-ND1 3.17Å; Q483-F565 HydrophobicContact CB-CD1 4.38Å; Q483-F565 HydrophobicContact CB-CE1 3.43Å; Q483-F565 VanDerWaalsContact CB-CE1 3.43Å; Q483-F565 HydrophobicContact CB-CZ 3.59Å; Q483-F565 HydrophobicContact CG-CD1 3.98Å; Q483-F565 HydrophobicContact CG-CE1 3.48Å; Q483-F565 VanDerWaalsContact CG-CE1 3.48Å; Q483-F565 HydrophobicContact CG-CZ 4.09Å
484	R	91.3	Very high	91.4	Very high	158 Å²	158	44.6 Å²	44.6	60%	0.596	22%	0.22	S	C	*	.	H	α-helix	trans	-62.1	-42.1	176.9	-74.8	-172.8	-62.6	-93.3	11.8	111.7	G480 I481 V482 R488	G480-R484 WeakPolarHBondContact O-CG 3.28Å; G480-R484 PolarHBondContact O-N 3.4Å; G480-R484 PolarHBondContact O-NH1 2.72Å; I481-R484 VanDerWaalsContact CG1-NH2 3.26Å; I481-R484 PolarHBondContact O-N 3.5Å; I481-R484 VanDerWaalsContact O-N 3.13Å; V482-R484 PolarHBondContact O-N 3.25Å; R484-R488 WeakPolarHBondContact O-CB 2.97Å; R484-R488 PolarHBondContact O-N 3.11Å
485	Y	92	Very high	91.9	Very high	53 Å²	53	47 Å²	47	21%	0.208	22%	0.223	C	C	.	.	H	α-helix	trans	-65.8	-40.2	176.5	-81	-74.8	0	0	0	112.1	A442 K443 I481 V482 Q483 R488 L489	A442-Y485 HydrophobicContact CB-CD2 3.76Å; A442-Y485 HydrophobicContact CB-CE2 4.3Å; A442-Y485 HydrophobicContact CB-CG 4.26Å; K443-Y485 HydrophobicContact CB-CE1 4.05Å; K443-Y485 HydrophobicContact CG-CE1 4.18Å; I481-Y485 HydrophobicContact CG2-CD2 3.89Å; I481-Y485 HydrophobicContact CG2-CE2 3.78Å; I481-Y485 WeakPolarHBondContact O-CD2 3.31Å; I481-Y485 PolarHBondContact O-N 3.01Å; V482-Y485 PolarHBondContact O-N 3.09Å; Q483-Y485 VanDerWaalsContact C-N 3.34Å; Q483-Y485 PolarHBondContact O-N 3.13Å; Y485-R488 PolarHBondContact O-N 2.85Å; Y485-L489 WeakPolarHBondContact O-CB 3.29Å; Y485-L489 PolarHBondContact O-N 3.02Å
486	Y	94.6	Very high	92.2	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-53.2	176.8	180	-101.2	0	0	0	111.7	P448 L451 I452 V482 Q483 R488 L489 L490 L561 F565	P448-Y486 HydrophobicContact CB-CD2 4Å; P448-Y486 HydrophobicContact CB-CE2 3.53Å; L451-Y486 HydrophobicContact CB-CD2 4.26Å; L451-Y486 HydrophobicContact CD1-CD2 4.46Å; I452-Y486 HydrophobicContact CD1-CE2 3.91Å; I452-Y486 HydrophobicContact CG1-CD2 4.44Å; I452-Y486 HydrophobicContact CG1-CE2 3.9Å; V482-Y486 WeakPolarHBondContact O-CB 3.37Å; V482-Y486 PolarHBondContact O-N 3.36Å; Q483-Y486 PolarHBondContact O-N 3.02Å; Y486-R488 VanDerWaalsContact C-N 3.3Å; Y486-R488 PolarHBondContact O-N 3.39Å; Y486-L489 PolarHBondContact O-N 3.11Å; Y486-L490 HydrophobicContact CD1-CD1 3.85Å; Y486-L490 HydrophobicContact CD1-CG 4.39Å; Y486-L490 HydrophobicContact CE1-CD1 3.24Å; Y486-L490 HydrophobicContact CE1-CG 4.07Å; Y486-L490 HydrophobicContact CE2-CD1 4.36Å; Y486-L490 HydrophobicContact CE2-CG 4.47Å; Y486-L490 PolarHBondContact O-N 2.83Å; Y486-L561 PolarHBondContact OH-O 3.21Å; Y486-F565 HydrophobicContact CD1-CB 3.88Å; Y486-F565 AromaticContact CD1-CD2 3.6Å; Y486-F565 HydrophobicContact CD1-CD2 3.6Å; Y486-F565 HydrophobicContact CD1-CE2 4.37Å; Y486-F565 AromaticContact CD1-CG 3.78Å; Y486-F565 HydrophobicContact CD1-CG 3.78Å; Y486-F565 AromaticContact CD2-CD2 3.84Å; Y486-F565 HydrophobicContact CD2-CD2 3.84Å; Y486-F565 HydrophobicContact CD2-CE2 4.42Å; Y486-F565 HydrophobicContact CE1-CB 3.49Å; Y486-F565 VanDerWaalsContact CE1-CB 3.49Å; Y486-F565 AromaticContact CE1-CD2 3.97Å; Y486-F565 HydrophobicContact CE1-CD2 3.97Å; Y486-F565 AromaticContact CE1-CG 3.94Å; Y486-F565 HydrophobicContact CE1-CG 3.94Å; Y486-F565 HydrophobicContact CE2-CD2 4.2Å; Y486-F565 AromaticContact CG-CD2 3.52Å; Y486-F565 HydrophobicContact CG-CD2 3.52Å; Y486-F565 AromaticContact CG-CE2 4Å; Y486-F565 HydrophobicContact CG-CE2 4Å; Y486-F565 HydrophobicContact CG-CG 4.19Å
487	H	91.4	Very high	92.6	Very high	29 Å²	29	49.8 Å²	49.8	13%	0.134	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-36.6	178.2	-67.9	135.3	0	0	0	112.8	Q483 A491	Q483-H487 WeakPolarHBondContact CG-CE1 3.38Å; Q483-H487 PolarHBondContact O-N 2.89Å; Q483-H487 PolarHBondContact O-ND1 2.85Å; Q483-H487 VanDerWaalsContact O-ND1 3.17Å; H487-A491 VanDerWaalsContact O-CB 3.22Å; H487-A491 WeakPolarHBondContact O-CB 3.43Å; H487-A491 PolarHBondContact O-N 2.64Å
488	R	91.4	Very high	92.9	Very high	153 Å²	153	43 Å²	43	58%	0.577	21%	0.207	S	C	*	.	H	α-helix	trans	-62	-44.5	175.3	-176.1	178.5	71.1	110.5	3.9	111.7	R484 Y485 Y486 S492	R484-R488 WeakPolarHBondContact O-CB 2.97Å; R484-R488 PolarHBondContact O-N 3.11Å; Y485-R488 PolarHBondContact O-N 2.85Å; Y486-R488 VanDerWaalsContact C-N 3.3Å; Y486-R488 PolarHBondContact O-N 3.39Å; R488-S492 PolarHBondContact O-N 3.16Å; R488-S492 VanDerWaalsContact O-N 3.1Å
489	L	92	Very high	93.2	Very high	33 Å²	33	47 Å²	47	17%	0.173	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-46.1	179.5	-172.4	70.2	0	0	0	111.2	D446 S447 P448 L451 Y485 Y486 S492 Q493	D446-L489 WeakPolarHBondContact O-CD2 3.42Å; S447-L489 VanDerWaalsContact C-CD2 3.48Å; P448-L489 HydrophobicContact CB-CD2 4.34Å; P448-L489 HydrophobicContact CG-CD2 3.72Å; P448-L489 HydrophobicContact CG-CG 4.35Å; P448-L489 VanDerWaalsContact N-CD2 3.35Å; L451-L489 HydrophobicContact CD1-CD2 4.35Å; Y485-L489 WeakPolarHBondContact O-CB 3.29Å; Y485-L489 PolarHBondContact O-N 3.02Å; Y486-L489 PolarHBondContact O-N 3.11Å; L489-S492 WeakPolarHBondContact O-CB 3.48Å; L489-S492 PolarHBondContact O-N 2.75Å; L489-Q493 WeakPolarHBondContact O-CG 3.38Å; L489-Q493 PolarHBondContact O-N 3.3Å
490	L	93.7	Very high	93.3	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-60.4	-48.2	174.3	-68.9	-175.9	0	0	0	111.5	P448 Y486 S492 Q493 W494 Y558 L561	P448-L490 HydrophobicContact CB-CD2 4.12Å; P448-L490 HydrophobicContact CG-CD2 3.94Å; Y486-L490 HydrophobicContact CD1-CD1 3.85Å; Y486-L490 HydrophobicContact CD1-CG 4.39Å; Y486-L490 HydrophobicContact CE1-CD1 3.24Å; Y486-L490 HydrophobicContact CE1-CG 4.07Å; Y486-L490 HydrophobicContact CE2-CD1 4.36Å; Y486-L490 HydrophobicContact CE2-CG 4.47Å; Y486-L490 PolarHBondContact O-N 2.83Å; L490-S492 PolarHBondContact O-N 3.15Å; L490-Q493 PolarHBondContact O-N 3.28Å; L490-Q493 VanDerWaalsContact O-N 3.09Å; L490-W494 HydrophobicContact CB-CE3 4.26Å; L490-W494 HydrophobicContact CB-CZ3 4.39Å; L490-W494 HydrophobicContact CD2-CE3 4.19Å; L490-W494 HydrophobicContact CD2-CH2 3.94Å; L490-W494 HydrophobicContact CD2-CZ3 3.48Å; L490-W494 VanDerWaalsContact CD2-CZ3 3.48Å; L490-W494 WeakPolarHBondContact O-CB 3.39Å; L490-W494 PolarHBondContact O-N 3.2Å; L490-Y558 HydrophobicContact CB-CD2 4.23Å; L490-Y558 HydrophobicContact CB-CE2 3.67Å; L490-Y558 HydrophobicContact CD1-CD2 4.45Å; L490-Y558 HydrophobicContact CD1-CE2 4.18Å; L490-L561 HydrophobicContact CD1-CB 4.16Å; L490-L561 HydrophobicContact CD2-CD1 4.21Å
491	A	92.3	Very high	93.5	Very high	6 Å²	6	49 Å²	49	5%	0.05	23%	0.234	C	C	.	.	H	α-helix	trans	-56.1	-40.8	178.4	0	0	0	0	0	111.9	H487 W494 K495 F586 C591	H487-A491 VanDerWaalsContact O-CB 3.22Å; H487-A491 WeakPolarHBondContact O-CB 3.43Å; H487-A491 PolarHBondContact O-N 2.64Å; A491-W494 PolarHBondContact O-N 2.81Å; A491-K495 WeakPolarHBondContact O-CB 3.23Å; A491-K495 PolarHBondContact O-N 3.32Å; A491-F586 HydrophobicContact CB-CD1 4.37Å; A491-F586 HydrophobicContact CB-CE1 3.96Å; A491-C591 PolarHBondContact O-SG 3.48Å
492	S	91.7	Very high	93.6	Very high	83 Å²	83	49 Å²	49	58%	0.58	23%	0.234	S	C	*	.	H	α-helix	trans	-62.7	-47.3	175.2	-170.3	0	0	0	0	112.5	R488 L489 L490 W494 S496	R488-S492 PolarHBondContact O-N 3.16Å; R488-S492 VanDerWaalsContact O-N 3.1Å; L489-S492 WeakPolarHBondContact O-CB 3.48Å; L489-S492 PolarHBondContact O-N 2.75Å; L490-S492 PolarHBondContact O-N 3.15Å; S492-W494 PolarHBondContact O-N 3.4Å; S492-S496 PolarHBondContact O-N 3.48Å
493	Q	94.1	Very high	93.5	Very high	74 Å²	74	52.9 Å²	52.9	35%	0.346	27%	0.266	S	S	.	.	H	α-helix	trans	-64.3	-39.8	178.4	-71.3	176.3	5.1	0	0	111.6	L489 L490 S496 K497	L489-Q493 WeakPolarHBondContact O-CG 3.38Å; L489-Q493 PolarHBondContact O-N 3.3Å; L490-Q493 PolarHBondContact O-N 3.28Å; L490-Q493 VanDerWaalsContact O-N 3.09Å; Q493-S496 PolarHBondContact O-N 3.16Å; Q493-K497 PolarHBondContact O-N 3.34Å
494	W	95.7	Very high	93.5	Very high	6 Å²	6	57.4 Å²	57.4	2%	0.023	29%	0.287	C	S	.	.	H	α-helix	trans	-74.4	-34.4	-179	-92.3	-113.8	0	0	0	112.7	L490 A491 S492 S496 K497 F498 T554 E557 Y558 L561 L587	L490-W494 HydrophobicContact CB-CE3 4.26Å; L490-W494 HydrophobicContact CB-CZ3 4.39Å; L490-W494 HydrophobicContact CD2-CE3 4.19Å; L490-W494 HydrophobicContact CD2-CH2 3.94Å; L490-W494 HydrophobicContact CD2-CZ3 3.48Å; L490-W494 VanDerWaalsContact CD2-CZ3 3.48Å; L490-W494 WeakPolarHBondContact O-CB 3.39Å; L490-W494 PolarHBondContact O-N 3.2Å; A491-W494 PolarHBondContact O-N 2.81Å; S492-W494 PolarHBondContact O-N 3.4Å; W494-S496 VanDerWaalsContact C-N 3.28Å; W494-S496 PolarHBondContact O-N 3.1Å; W494-K497 HydrophobicContact CD2-CD 4.32Å; W494-K497 PolarHBondContact O-N 3.32Å; W494-F498 HydrophobicContact CB-CE2 4.3Å; W494-F498 WeakPolarHBondContact O-CD2 3.11Å; W494-F498 WeakPolarHBondContact O-CG 3.31Å; W494-F498 PolarHBondContact O-N 2.8Å; W494-T554 HydrophobicContact CG-CG2 4.48Å; W494-T554 PolarHBondContact NE1-O 3.35Å; W494-E557 HydrophobicContact CZ2-CB 4.39Å; W494-Y558 AromaticContact CD1-CD2 3.88Å; W494-Y558 AromaticContact CD2-CD2 3.85Å; W494-Y558 HydrophobicContact CD2-CD2 3.85Å; W494-Y558 AromaticContact CE2-CD2 3.93Å; W494-Y558 HydrophobicContact CE3-CD2 4.49Å; W494-Y558 AromaticContact CG-CD2 3.85Å; W494-Y558 HydrophobicContact CG-CD2 3.85Å; W494-Y558 AromaticContact NE1-CD2 3.96Å; W494-L561 HydrophobicContact CH2-CD1 3.14Å; W494-L561 HydrophobicContact CZ2-CD1 3.51Å; W494-L561 HydrophobicContact CZ3-CD1 4.21Å; W494-L587 HydrophobicContact CB-CD1 3.68Å; W494-L587 HydrophobicContact CG-CD1 4.3Å
495	K	94.9	Very high	93.5	Very high	79 Å²	79	50.7 Å²	50.7	34%	0.343	26%	0.263	S	S	.	.	H	α-helix	trans	-55.2	-47.4	169.9	-176	-179.9	174.2	-176.7	0	110.7	A491 F498 E499 C591 V595	A491-K495 WeakPolarHBondContact O-CB 3.23Å; A491-K495 PolarHBondContact O-N 3.32Å; K495-F498 PolarHBondContact O-N 3.31Å; K495-E499 WeakPolarHBondContact CE-OE1 3.5Å; K495-E499 WeakPolarHBondContact O-CG 3.46Å; K495-E499 PolarHBondContact O-N 3.31Å; K495-C591 HydrophobicContact CB-CB 4.14Å; K495-V595 HydrophobicContact CG-CG2 3.97Å
496	S	94.9	Very high	93.4	Very high	64 Å²	64	52.4 Å²	52.4	45%	0.448	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-40.6	176.2	-179.4	0	0	0	0	112.6	S492 Q493 W494 F498 E499 T500	S492-S496 PolarHBondContact O-N 3.48Å; Q493-S496 PolarHBondContact O-N 3.16Å; W494-S496 VanDerWaalsContact C-N 3.28Å; W494-S496 PolarHBondContact O-N 3.1Å; S496-F498 PolarHBondContact O-N 2.94Å; S496-E499 PolarHBondContact O-N 3.08Å; S496-T500 PolarHBondContact O-N 2.87Å; S496-T500 PolarHBondContact O-OG1 3.35Å
497	K	95.5	Very high	93.1	Very high	77 Å²	77	53.7 Å²	53.7	34%	0.335	28%	0.281	S	S	.	.	H	α-helix	trans	-58.9	-46.1	172.8	-72.8	-177.5	174.3	-175.5	0	111.8	Q493 W494 T500 I501 T554 E557	Q493-K497 PolarHBondContact O-N 3.34Å; W494-K497 HydrophobicContact CD2-CD 4.32Å; W494-K497 PolarHBondContact O-N 3.32Å; K497-T500 WeakPolarHBondContact O-CB 3.46Å; K497-T500 PolarHBondContact O-N 3.49Å; K497-I501 VanDerWaalsContact O-CG1 3.3Å; K497-I501 WeakPolarHBondContact O-CG1 3.38Å; K497-I501 PolarHBondContact O-N 3.44Å; K497-T554 HydrophobicContact CB-CG2 4.19Å; K497-T554 HydrophobicContact CD-CG2 4.1Å; K497-E557 IonicContact NZ-OE2 3.98Å; K497-E557 PolarHBondContact NZ-OE2 3.24Å
498	F	96.6	Very high	92.9	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.009	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-41.5	177.7	-66.1	-43.6	0	0	0	112.3	W494 K495 S496 T500 I501 I502 I551 T554 V555 L587 C591 L592 V595	W494-F498 HydrophobicContact CB-CE2 4.3Å; W494-F498 WeakPolarHBondContact O-CD2 3.11Å; W494-F498 WeakPolarHBondContact O-CG 3.31Å; W494-F498 PolarHBondContact O-N 2.8Å; K495-F498 PolarHBondContact O-N 3.31Å; S496-F498 PolarHBondContact O-N 2.94Å; F498-T500 VanDerWaalsContact C-N 3.27Å; F498-T500 PolarHBondContact O-N 3.04Å; F498-I501 HydrophobicContact CD1-CD1 4.29Å; F498-I501 PolarHBondContact O-N 3.45Å; F498-I502 PolarHBondContact O-N 3.2Å; F498-I551 HydrophobicContact CD1-CG1 4.38Å; F498-I551 HydrophobicContact CE1-CG2 4.4Å; F498-T554 HydrophobicContact CD1-CG2 4.1Å; F498-T554 HydrophobicContact CE1-CG2 3.58Å; F498-T554 HydrophobicContact CZ-CG2 4.14Å; F498-V555 HydrophobicContact CE1-CG2 4.16Å; F498-V555 HydrophobicContact CZ-CG2 3.83Å; F498-L587 HydrophobicContact CE2-CD1 3.95Å; F498-L587 HydrophobicContact CE2-CD2 4.09Å; F498-L587 HydrophobicContact CE2-CG 3.97Å; F498-L587 HydrophobicContact CZ-CD2 4.04Å; F498-L587 HydrophobicContact CZ-CG 4.41Å; F498-C591 HydrophobicContact CD2-CB 4.34Å; F498-C591 HydrophobicContact CE2-CB 4.45Å; F498-L592 HydrophobicContact CD1-CD1 4.27Å; F498-L592 HydrophobicContact CD2-CD1 4.37Å; F498-L592 HydrophobicContact CE1-CD1 4.37Å; F498-L592 HydrophobicContact CE2-CB 4.32Å; F498-L592 HydrophobicContact CE2-CD1 4.45Å; F498-L592 HydrophobicContact CG-CD1 4.29Å; F498-L592 HydrophobicContact CZ-CD1 4.46Å; F498-V595 HydrophobicContact CB-CB 4.26Å; F498-V595 HydrophobicContact CB-CG1 3.76Å; F498-V595 HydrophobicContact CB-CG2 4.33Å
499	E	95.6	Very high	92.8	Very high	87 Å²	87	52.5 Å²	52.5	41%	0.407	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-41.1	176.5	-73.5	169.9	170.9	0	0	110.9	K495 S496 I502 A503 V595	K495-E499 WeakPolarHBondContact CE-OE1 3.5Å; K495-E499 WeakPolarHBondContact O-CG 3.46Å; K495-E499 PolarHBondContact O-N 3.31Å; S496-E499 PolarHBondContact O-N 3.08Å; E499-I502 PolarHBondContact O-N 3.19Å; E499-A503 VanDerWaalsContact O-CB 3.28Å; E499-A503 WeakPolarHBondContact O-CB 3.33Å; E499-A503 PolarHBondContact O-N 3.43Å; E499-V595 HydrophobicContact CG-CB 4.48Å; E499-V595 HydrophobicContact CG-CG1 3.99Å; E499-V595 HydrophobicContact CG-CG2 3.66Å
500	T	95.5	Very high	92.7	Very high	60 Å²	60	51 Å²	51	37%	0.368	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-45	175.7	-51.7	0	0	0	0	111.5	S496 K497 F498 I502 A503 E504	S496-T500 PolarHBondContact O-N 2.87Å; S496-T500 PolarHBondContact O-OG1 3.35Å; K497-T500 WeakPolarHBondContact O-CB 3.46Å; K497-T500 PolarHBondContact O-N 3.49Å; F498-T500 VanDerWaalsContact C-N 3.27Å; F498-T500 PolarHBondContact O-N 3.04Å; T500-I502 VanDerWaalsContact C-N 3.33Å; T500-I502 PolarHBondContact O-N 3.33Å; T500-A503 PolarHBondContact O-N 3.02Å; T500-E504 HydrophobicContact CG2-CG 4.2Å; T500-E504 WeakPolarHBondContact CG2-OE1 3.25Å; T500-E504 WeakPolarHBondContact O-CB 3.39Å; T500-E504 WeakPolarHBondContact O-CG 3.49Å; T500-E504 PolarHBondContact O-N 3.28Å
501	I	94.6	Very high	92.5	Very high	14 Å²	14	57.2 Å²	57.2	7%	0.072	30%	0.303	C	S	.	.	H	α-helix	trans	-58.7	-43.8	178	-70	163.1	0	0	0	111.6	K497 F498 D505 I547 K550 I551 T554	K497-I501 VanDerWaalsContact O-CG1 3.3Å; K497-I501 WeakPolarHBondContact O-CG1 3.38Å; K497-I501 PolarHBondContact O-N 3.44Å; F498-I501 HydrophobicContact CD1-CD1 4.29Å; F498-I501 PolarHBondContact O-N 3.45Å; I501-D505 PolarHBondContact O-N 2.7Å; I501-I547 HydrophobicContact CG2-CG1 4.41Å; I501-K550 HydrophobicContact CD1-CB 4.06Å; I501-K550 HydrophobicContact CG1-CB 4.17Å; I501-K550 HydrophobicContact CG1-CD 4.35Å; I501-K550 HydrophobicContact CG2-CB 3.85Å; I501-K550 HydrophobicContact CG2-CD 4.06Å; I501-I551 HydrophobicContact CG2-CG1 4.45Å; I501-T554 HydrophobicContact CD1-CG2 4.5Å; I501-T554 WeakPolarHBondContact CD1-OG1 3.29Å
502	I	92.9	Very high	92.2	Very high	13 Å²	13	57.1 Å²	57.1	7%	0.067	30%	0.302	C	S	.	.	H	α-helix	trans	-71.4	-37.7	179	-64.3	-170.9	0	0	0	111.4	F498 E499 T500 Y507 V595 L596	F498-I502 PolarHBondContact O-N 3.2Å; E499-I502 PolarHBondContact O-N 3.19Å; T500-I502 VanDerWaalsContact C-N 3.33Å; T500-I502 PolarHBondContact O-N 3.33Å; I502-Y507 WeakPolarHBondContact CG2-OH 3.45Å; I502-Y507 PolarHBondContact O-OH 3.42Å; I502-Y507 VanDerWaalsContact O-OH 3.13Å; I502-V595 HydrophobicContact CD1-CB 4.47Å; I502-V595 HydrophobicContact CD1-CG1 3.44Å; I502-V595 VanDerWaalsContact CD1-CG1 3.44Å; I502-V595 WeakPolarHBondContact CD1-O 3.39Å; I502-V595 HydrophobicContact CG1-CG1 4.13Å; I502-L596 HydrophobicContact CD1-CD2 3.88Å
503	A	90.8	Very high	92	Very high	82 Å²	82	56.7 Å²	56.7	68%	0.678	30%	0.299	S	S	*	.	H	α-helix	trans	-68.7	-35.5	-179.2	0	0	0	0	0	113.1	E499 T500	E499-A503 VanDerWaalsContact O-CB 3.28Å; E499-A503 WeakPolarHBondContact O-CB 3.33Å; E499-A503 PolarHBondContact O-N 3.43Å; T500-A503 PolarHBondContact O-N 3.02Å
504	E	92.1	Very high	91.7	Very high	132 Å²	132	55.8 Å²	55.8	62%	0.617	30%	0.296	S	S	*	.	H	α-helix	trans	-85	-13.2	-178.1	-69.7	178.5	172.1	0	0	114.4	T500	T500-E504 HydrophobicContact CG2-CG 4.2Å; T500-E504 WeakPolarHBondContact CG2-OE1 3.25Å; T500-E504 WeakPolarHBondContact O-CB 3.39Å; T500-E504 WeakPolarHBondContact O-CG 3.49Å; T500-E504 PolarHBondContact O-N 3.28Å
505	D	91.6	Very high	91.2	Very high	16 Å²	16	59.5 Å²	59.5	9%	0.086	32%	0.321	C	S	.	.			trans	-71.6	139.3	-176	-162.9	61.8	0	0	0	112.2	I501 Y507 S545 I547	I501-D505 PolarHBondContact O-N 2.7Å; D505-Y507 HydrophobicContact CB-CE2 4.21Å; D505-Y507 WeakPolarHBondContact O-CD2 3.42Å; D505-Y507 VanDerWaalsContact O-CE2 3.22Å; D505-Y507 WeakPolarHBondContact O-CE2 3.4Å; D505-Y507 VanDerWaalsContact OD2-CA 3.29Å; D505-Y507 WeakPolarHBondContact OD2-CA 3.38Å; D505-Y507 PolarHBondContact OD2-N 3.47Å; D505-S545 PolarHBondContact OD1-OG 3.4Å; D505-S545 WeakPolarHBondContact OD2-CB 3.15Å; D505-S545 PolarHBondContact OD2-OG 2.98Å; D505-I547 HydrophobicContact CB-CD1 3.72Å; D505-I547 HydrophobicContact CB-CG1 3.66Å; D505-I547 VanDerWaalsContact CG-CG1 3.42Å; D505-I547 VanDerWaalsContact OD2-CD1 3.24Å; D505-I547 WeakPolarHBondContact OD2-CD1 3.31Å
506	N	89.4	Confident	90.8	Very high	89 Å²	89	62.2 Å²	62.2	48%	0.476	34%	0.335	S	S	.	.			trans	-91.2	-5.3	176.2	67.9	-10.6	0	0	0	113.1	E508	N506-E508 HydrophobicContact CB-CG 4.43Å; N506-E508 PolarHBondContact ND2-OE2 3.2Å; N506-E508 VanDerWaalsContact ND2-OE2 3.15Å; N506-E508 PolarHBondContact O-N 3.14Å; N506-E508 PolarHBondContact OD1-N 3.4Å
507	Y	88.4	Confident	90.3	Very high	28 Å²	28	63.2 Å²	63.2	11%	0.11	33%	0.333	C	S	.	.			trans	56.7	30.7	-177.8	-54.4	-88.8	0	0	0	113.4	I502 D505 I547 R609 Q612 F613	I502-Y507 WeakPolarHBondContact CG2-OH 3.45Å; I502-Y507 PolarHBondContact O-OH 3.42Å; I502-Y507 VanDerWaalsContact O-OH 3.13Å; D505-Y507 HydrophobicContact CB-CE2 4.21Å; D505-Y507 WeakPolarHBondContact O-CD2 3.42Å; D505-Y507 VanDerWaalsContact O-CE2 3.22Å; D505-Y507 WeakPolarHBondContact O-CE2 3.4Å; D505-Y507 VanDerWaalsContact OD2-CA 3.29Å; D505-Y507 WeakPolarHBondContact OD2-CA 3.38Å; D505-Y507 PolarHBondContact OD2-N 3.47Å; Y507-I547 HydrophobicContact CD1-CD1 4.14Å; Y507-I547 HydrophobicContact CE1-CD1 3.57Å; Y507-R609 HydrophobicContact CD1-CG 3.78Å; Y507-R609 HydrophobicContact CD2-CG 3.91Å; Y507-R609 HydrophobicContact CE1-CG 4.08Å; Y507-R609 HydrophobicContact CE2-CG 4.22Å; Y507-R609 HydrophobicContact CG-CG 3.69Å; Y507-R609 VanDerWaalsContact CZ-NH2 3.28Å; Y507-R609 PolarHBondContact OH-NE 2.92Å; Y507-R609 PolarHBondContact OH-NH2 3.32Å; Y507-Q612 WeakPolarHBondContact O-CG 3.23Å; Y507-F613 HydrophobicContact CD1-CD2 4.49Å; Y507-F613 AromaticContact CE1-CD2 3.78Å; Y507-F613 HydrophobicContact CE1-CD2 3.78Å; Y507-F613 HydrophobicContact CE1-CE2 4.19Å
508	E	88.3	Confident	89.9	Confident	125 Å²	125	60.9 Å²	60.9	58%	0.584	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-98	150	172	-63.9	-175.3	165	0	0	110.8	N506 S545	N506-E508 HydrophobicContact CB-CG 4.43Å; N506-E508 PolarHBondContact ND2-OE2 3.2Å; N506-E508 VanDerWaalsContact ND2-OE2 3.15Å; N506-E508 PolarHBondContact O-N 3.14Å; N506-E508 PolarHBondContact OD1-N 3.4Å; E508-S545 WeakPolarHBondContact O-CA 3.23Å; E508-S545 WeakPolarHBondContact O-CB 3.22Å
509	T	89.2	Confident	89.4	Confident	32 Å²	32	65.2 Å²	65.2	20%	0.196	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-64.5	139.3	173.2	50.1	0	0	0	0	111.2	K511 Q541 L542	T509-K511 PolarHBondContact O-N 3.41Å; T509-Q541 PolarHBondContact OG1-NE2 3.15Å; T509-L542 VanDerWaalsContact CB-O 3.24Å; T509-L542 WeakPolarHBondContact CB-O 3.27Å
510	I	89.2	Confident	89	Confident	2 Å²	2	68 Å²	68	1%	0.01	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-71.4	128	-179.2	-58.1	170.5	0	0	0	109.9	I512 F521 Q541 L542 F544 W546 P549	I510-I512 HydrophobicContact CG2-CG1 4.01Å; I510-F521 HydrophobicContact CD1-CE2 4.13Å; I510-Q541 WeakPolarHBondContact O-CA 3.49Å; I510-L542 HydrophobicContact CB-CB 4.32Å; I510-L542 HydrophobicContact CB-CD1 4.34Å; I510-L542 HydrophobicContact CD1-CD1 4.47Å; I510-L542 HydrophobicContact CG2-CD1 4.41Å; I510-L542 PolarHBondContact O-N 3.22Å; I510-F544 HydrophobicContact CD1-CD2 3.99Å; I510-F544 HydrophobicContact CD1-CE2 3.98Å; I510-F544 WeakPolarHBondContact CG1-O 3.37Å; I510-F544 PolarHBondContact N-O 2.88Å; I510-W546 HydrophobicContact CD1-CD2 3.9Å; I510-W546 HydrophobicContact CD1-CE3 4.17Å; I510-W546 HydrophobicContact CD1-CG 4.16Å; I510-W546 HydrophobicContact CG1-CD2 4.03Å; I510-W546 HydrophobicContact CG1-CG 4.03Å; I510-W546 HydrophobicContact CG2-CH2 4.35Å; I510-W546 HydrophobicContact CG2-CZ2 3.71Å; I510-P549 HydrophobicContact CD1-CG 4.08Å
511	K	88.6	Confident	88.7	Confident	131 Å²	131	65.1 Å²	65.1	57%	0.57	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.4	173.9	-65.3	177.5	-177.4	174.8	0	110	T509 K540 Q541	T509-K511 PolarHBondContact O-N 3.41Å; K511-K540 WeakPolarHBondContact CA-O 3.28Å; K511-Q541 HydrophobicContact CG-CG 4.08Å
512	I	87.8	Confident	88.4	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.021	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	111.8	-179.1	-55.6	-170.8	0	0	0	108.2	I510 Q517 L518 F521 F533 F538 P539 K540	I510-I512 HydrophobicContact CG2-CG1 4.01Å; I512-Q517 HydrophobicContact CG2-CB 3.8Å; I512-L518 HydrophobicContact CD1-CD1 4.12Å; I512-L518 HydrophobicContact CG2-CB 3.9Å; I512-F521 HydrophobicContact CD1-CB 3.78Å; I512-F521 HydrophobicContact CD1-CD1 3.87Å; I512-F521 HydrophobicContact CD1-CD2 4.25Å; I512-F521 HydrophobicContact CD1-CG 3.7Å; I512-F533 HydrophobicContact CD1-CZ 4Å; I512-F538 HydrophobicContact CG2-CE1 4.26Å; I512-P539 CarbonylContact O-C 3.55Å; I512-P539 VanDerWaalsContact O-CA 3.3Å; I512-P539 WeakPolarHBondContact O-CA 3.36Å; I512-K540 HydrophobicContact CB-CB 4.43Å; I512-K540 PolarHBondContact N-O 3.27Å; I512-K540 PolarHBondContact O-N 3.33Å
513	S	87.4	Confident	88.2	Confident	74 Å²	74	73 Å²	73	52%	0.517	38%	0.381	S	S	.	.			trans	-93.5	-24.5	-171.5	-57.8	0	0	0	0	113.8
514	N	86.8	Confident	88.1	Confident	54 Å²	54	71 Å²	71	29%	0.289	36%	0.358	S	S	.	.	S	Bend	trans	-139.7	159.7	-174.3	66.1	11.9	0	0	0	111.4	E516 Q517 L518	N514-E516 PolarHBondContact O-N 3.45Å; N514-Q517 PolarHBondContact O-N 3.42Å; N514-Q517 WeakPolarHBondContact OD1-CB 3.45Å; N514-Q517 WeakPolarHBondContact OD1-CG 3.35Å; N514-Q517 PolarHBondContact OD1-N 2.87Å; N514-L518 PolarHBondContact O-N 3.41Å
515	P	85	Confident	88	Confident	84 Å²	84	64.7 Å²	64.7	55%	0.545	33%	0.329	S	S	.	.	H	α-helix	trans	-62.2	-28.6	178.2	22.8	-34	0	0	0	113.2	L518 T519 F538	P515-L518 WeakPolarHBondContact O-CB 3.37Å; P515-L518 PolarHBondContact O-N 3.08Å; P515-T519 PolarHBondContact O-N 3.45Å; P515-T519 PolarHBondContact O-OG1 2.7Å; P515-F538 HydrophobicContact CB-CZ 4.39Å
516	E	86.1	Confident	87.7	Confident	137 Å²	137	66.7 Å²	66.7	64%	0.64	34%	0.343	S	S	*	.	H	α-helix	trans	-65.8	-40.9	176.7	-65.2	-178	178.3	0	0	113	N514 L518 T519 K520	N514-E516 PolarHBondContact O-N 3.45Å; E516-L518 VanDerWaalsContact C-N 3.27Å; E516-T519 PolarHBondContact O-N 3.44Å; E516-K520 PolarHBondContact O-N 3.06Å
517	Q	86.1	Confident	87.4	Confident	84 Å²	84	64 Å²	64	39%	0.393	33%	0.33	S	S	.	.	H	α-helix	trans	-66.1	-33.9	173.1	-76.1	169.2	9.5	0	0	110.9	I512 N514 K520 F521	I512-Q517 HydrophobicContact CG2-CB 3.8Å; N514-Q517 PolarHBondContact O-N 3.42Å; N514-Q517 WeakPolarHBondContact OD1-CB 3.45Å; N514-Q517 WeakPolarHBondContact OD1-CG 3.35Å; N514-Q517 PolarHBondContact OD1-N 2.87Å; Q517-K520 PolarHBondContact O-N 3.12Å; Q517-F521 WeakPolarHBondContact O-CB 3.4Å; Q517-F521 PolarHBondContact O-N 3.43Å
518	L	85.6	Confident	87	Confident	28 Å²	28	63 Å²	63	15%	0.147	33%	0.328	C	S	.	.	H	α-helix	trans	-63.2	-47.5	174.8	-178.3	61.6	0	0	0	111	I512 N514 P515 E516 K520 F521 L522 F533 F538	I512-L518 HydrophobicContact CD1-CD1 4.12Å; I512-L518 HydrophobicContact CG2-CB 3.9Å; N514-L518 PolarHBondContact O-N 3.41Å; P515-L518 WeakPolarHBondContact O-CB 3.37Å; P515-L518 PolarHBondContact O-N 3.08Å; E516-L518 VanDerWaalsContact C-N 3.27Å; L518-K520 VanDerWaalsContact C-N 3.34Å; L518-K520 PolarHBondContact O-N 3.35Å; L518-F521 HydrophobicContact CD1-CD1 4.43Å; L518-F521 WeakPolarHBondContact O-CB 3.49Å; L518-F521 PolarHBondContact O-N 3.39Å; L518-F521 VanDerWaalsContact O-N 3.14Å; L518-L522 HydrophobicContact CD1-CD1 4.14Å; L518-L522 HydrophobicContact CD1-CG 4.1Å; L518-L522 HydrophobicContact CG-CD1 4.07Å; L518-L522 HydrophobicContact CG-CG 4.38Å; L518-L522 WeakPolarHBondContact O-CG 3.41Å; L518-L522 PolarHBondContact O-N 3.02Å; L518-F533 HydrophobicContact CD1-CE1 3.63Å; L518-F533 HydrophobicContact CD1-CZ 4.26Å; L518-F538 HydrophobicContact CD2-CZ 4.1Å
519	T	87.4	Confident	86.7	Confident	93 Å²	93	60.7 Å²	60.7	57%	0.571	32%	0.319	S	S	*	.	H	α-helix	trans	-58.2	-45.3	176.8	-53.2	0	0	0	0	111.8	P515 E516 F521 L522 E523	P515-T519 PolarHBondContact O-N 3.45Å; P515-T519 PolarHBondContact O-OG1 2.7Å; E516-T519 PolarHBondContact O-N 3.44Å; T519-F521 VanDerWaalsContact C-N 3.32Å; T519-F521 PolarHBondContact O-N 3.26Å; T519-L522 PolarHBondContact O-N 2.88Å; T519-E523 WeakPolarHBondContact O-CB 3.42Å; T519-E523 PolarHBondContact O-N 3.19Å
520	K	87.4	Confident	86.2	Confident	146 Å²	146	62.6 Å²	62.6	64%	0.635	33%	0.331	S	S	*	.	H	α-helix	trans	-63.1	-36.7	176.5	-71.3	178.6	179.9	176.4	0	112.9	E516 Q517 L518 M524	E516-K520 PolarHBondContact O-N 3.06Å; Q517-K520 PolarHBondContact O-N 3.12Å; L518-K520 VanDerWaalsContact C-N 3.34Å; L518-K520 PolarHBondContact O-N 3.35Å; K520-M524 PolarHBondContact O-N 2.89Å
521	F	88.7	Confident	85.7	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-66.5	-47.3	175.5	169.6	-98.6	0	0	0	111.2	I510 I512 Q517 L518 T519 E523 M524 Y525 F533 L542 F544 W546 P549	I510-F521 HydrophobicContact CD1-CE2 4.13Å; I512-F521 HydrophobicContact CD1-CB 3.78Å; I512-F521 HydrophobicContact CD1-CD1 3.87Å; I512-F521 HydrophobicContact CD1-CD2 4.25Å; I512-F521 HydrophobicContact CD1-CG 3.7Å; Q517-F521 WeakPolarHBondContact O-CB 3.4Å; Q517-F521 PolarHBondContact O-N 3.43Å; L518-F521 HydrophobicContact CD1-CD1 4.43Å; L518-F521 WeakPolarHBondContact O-CB 3.49Å; L518-F521 PolarHBondContact O-N 3.39Å; L518-F521 VanDerWaalsContact O-N 3.14Å; T519-F521 VanDerWaalsContact C-N 3.32Å; T519-F521 PolarHBondContact O-N 3.26Å; F521-E523 VanDerWaalsContact C-N 3.32Å; F521-E523 PolarHBondContact O-N 3.33Å; F521-M524 WeakPolarHBondContact O-CB 3.21Å; F521-M524 PolarHBondContact O-N 3.21Å; F521-M524 VanDerWaalsContact O-N 3.08Å; F521-Y525 HydrophobicContact CE2-CD1 4.48Å; F521-Y525 AromaticContact CZ-CD1 3.87Å; F521-Y525 HydrophobicContact CZ-CD1 3.87Å; F521-Y525 PolarHBondContact O-N 3.18Å; F521-F533 HydrophobicContact CE1-CE1 4.29Å; F521-L542 HydrophobicContact CE1-CD1 4.01Å; F521-L542 HydrophobicContact CE2-CD1 3.73Å; F521-L542 HydrophobicContact CZ-CD1 3.37Å; F521-F544 HydrophobicContact CE2-CE2 4.46Å; F521-F544 HydrophobicContact CZ-CE2 4.43Å; F521-F544 HydrophobicContact CZ-CZ 4.44Å; F521-W546 HydrophobicContact CD2-CH2 4.08Å; F521-W546 HydrophobicContact CD2-CZ3 4.03Å; F521-P549 HydrophobicContact CD2-CG 4.32Å; F521-P549 HydrophobicContact CE2-CG 3.68Å
522	L	88.3	Confident	85.2	Confident	40 Å²	40	69.3 Å²	69.3	21%	0.209	37%	0.372	C	S	.	.	H	α-helix	trans	-68.7	-29.2	-179.8	-66.7	-178.1	0	0	0	113	L518 T519 M524 Y525 P526 D529	L518-L522 HydrophobicContact CD1-CD1 4.14Å; L518-L522 HydrophobicContact CD1-CG 4.1Å; L518-L522 HydrophobicContact CG-CD1 4.07Å; L518-L522 HydrophobicContact CG-CG 4.38Å; L518-L522 WeakPolarHBondContact O-CG 3.41Å; L518-L522 PolarHBondContact O-N 3.02Å; T519-L522 PolarHBondContact O-N 2.88Å; L522-M524 VanDerWaalsContact C-N 3.27Å; L522-M524 PolarHBondContact O-N 3.42Å; L522-Y525 CarbonylContact O-C 3.52Å; L522-P526 VanDerWaalsContact O-CA 3.23Å; L522-P526 WeakPolarHBondContact O-CA 3.35Å; L522-P526 VanDerWaalsContact O-CD 3.22Å; L522-P526 WeakPolarHBondContact O-CD 3.3Å; L522-P526 VanDerWaalsContact O-CG 3.27Å; L522-P526 WeakPolarHBondContact O-CG 3.38Å; L522-D529 HydrophobicContact CD1-CB 4.22Å; L522-D529 HydrophobicContact CD2-CB 3.66Å
523	E	87.4	Confident	84.9	Confident	153 Å²	153	69.5 Å²	69.5	72%	0.715	37%	0.373	S	S	*	.	H	α-helix	trans	-62	-37.6	169.9	-172.2	-178	-179.5	0	0	111.6	T519 F521	T519-E523 WeakPolarHBondContact O-CB 3.42Å; T519-E523 PolarHBondContact O-N 3.19Å; F521-E523 VanDerWaalsContact C-N 3.32Å; F521-E523 PolarHBondContact O-N 3.33Å
524	M	88.9	Confident	84.4	Confident	38 Å²	38	68.9 Å²	68.9	19%	0.187	37%	0.369	C	S	.	.	H	α-helix	trans	-80.4	-39.8	178.7	-172.6	172.5	-54.9	0	0	112.9	K520 F521 L522 W546 P549 K550 Y552 R553	K520-M524 PolarHBondContact O-N 2.89Å; F521-M524 WeakPolarHBondContact O-CB 3.21Å; F521-M524 PolarHBondContact O-N 3.21Å; F521-M524 VanDerWaalsContact O-N 3.08Å; L522-M524 VanDerWaalsContact C-N 3.27Å; L522-M524 PolarHBondContact O-N 3.42Å; M524-W546 HydrophobicContact SD-CZ3 4.42Å; M524-P549 HydrophobicContact CG-CB 3.95Å; M524-P549 HydrophobicContact SD-CB 3.85Å; M524-K550 HydrophobicContact SD-CG 4.23Å; M524-Y552 WeakPolarHBondContact O-CD1 3.29Å; M524-R553 HydrophobicContact CG-CB 4.04Å
525	Y	90.5	Very high	84.1	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.389	C	S	.	.			trans	-136.2	78.1	-178.5	-174.8	-129.1	0	0	0	110.8	F521 L522 P527 G528 F544 Y552 E619 V623	F521-Y525 HydrophobicContact CE2-CD1 4.48Å; F521-Y525 AromaticContact CZ-CD1 3.87Å; F521-Y525 HydrophobicContact CZ-CD1 3.87Å; F521-Y525 PolarHBondContact O-N 3.18Å; L522-Y525 CarbonylContact O-C 3.52Å; Y525-P527 VanDerWaalsContact C-CD 3.42Å; Y525-P527 VanDerWaalsContact C-N 3.34Å; Y525-P527 HydrophobicContact CD2-CB 4.39Å; Y525-P527 HydrophobicContact CD2-CG 4.22Å; Y525-P527 HydrophobicContact CE2-CB 3.82Å; Y525-P527 HydrophobicContact CE2-CG 3.92Å; Y525-G528 VanDerWaalsContact CE1-CA 3.49Å; Y525-G528 PolarHBondContact O-N 3.29Å; Y525-F544 HydrophobicContact CE1-CZ 4.26Å; Y525-Y552 AromaticContact CD2-CD1 3.64Å; Y525-Y552 HydrophobicContact CD2-CD1 3.64Å; Y525-Y552 HydrophobicContact CD2-CD2 4.03Å; Y525-Y552 HydrophobicContact CD2-CE1 4.14Å; Y525-Y552 AromaticContact CD2-CG 3.57Å; Y525-Y552 HydrophobicContact CD2-CG 3.57Å; Y525-Y552 HydrophobicContact CE2-CD1 4.4Å; Y525-Y552 AromaticContact CE2-CD2 3.97Å; Y525-Y552 HydrophobicContact CE2-CD2 3.97Å; Y525-Y552 HydrophobicContact CE2-CE2 4.46Å; Y525-Y552 AromaticContact CE2-CG 3.94Å; Y525-Y552 HydrophobicContact CE2-CG 3.94Å; Y525-E619 PolarHBondContact OH-OE1 3.36Å; Y525-V623 HydrophobicContact CE2-CG2 3.73Å; Y525-V623 WeakPolarHBondContact OH-CG2 3.34Å
526	P	85.1	Confident	84	Confident	59 Å²	59	73.4 Å²	73.4	38%	0.383	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-56.1	-39.3	178.2	-20.7	28.4	0	0	0	114.2	L522 G528 D529	L522-P526 VanDerWaalsContact O-CA 3.23Å; L522-P526 WeakPolarHBondContact O-CA 3.35Å; L522-P526 VanDerWaalsContact O-CD 3.22Å; L522-P526 WeakPolarHBondContact O-CD 3.3Å; L522-P526 VanDerWaalsContact O-CG 3.27Å; L522-P526 WeakPolarHBondContact O-CG 3.38Å; P526-G528 PolarHBondContact O-N 2.91Å; P526-D529 PolarHBondContact O-N 3.12Å
527	P	83.6	Confident	83.8	Confident	32 Å²	32	71.7 Å²	71.7	21%	0.208	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-62.3	-13.6	177.1	-22.7	33.1	0	0	0	114.9	Y525 D529 Y552 H626	Y525-P527 VanDerWaalsContact C-CD 3.42Å; Y525-P527 VanDerWaalsContact C-N 3.34Å; Y525-P527 HydrophobicContact CD2-CB 4.39Å; Y525-P527 HydrophobicContact CD2-CG 4.22Å; Y525-P527 HydrophobicContact CE2-CB 3.82Å; Y525-P527 HydrophobicContact CE2-CG 3.92Å; P527-D529 PolarHBondContact O-N 3.31Å; P527-Y552 HydrophobicContact CG-CE2 4.03Å; P527-H626 HydrophobicContact CB-CB 4.04Å; P527-H626 HydrophobicContact CG-CB 3.79Å
528	G	80.8	Confident	83.8	Confident	6 Å²	6	72.2 Å²	72.2	6%	0.062	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-69	-11.9	176.8	0	0	0	0	0	114.5	Y525 P526 T530 F533	Y525-G528 VanDerWaalsContact CE1-CA 3.49Å; Y525-G528 PolarHBondContact O-N 3.29Å; P526-G528 PolarHBondContact O-N 2.91Å; G528-T530 VanDerWaalsContact C-N 3.25Å; G528-T530 PolarHBondContact O-N 2.96Å; G528-F533 WeakPolarHBondContact O-CD1 3.26Å
529	D	80.2	Confident	83.7	Confident	77 Å²	77	75.4 Å²	75.4	41%	0.412	41%	0.407	S	S	.	.			trans	-80.6	68.2	175.6	-161.5	14.7	0	0	0	111.9	L522 P526 P527 S534	L522-D529 HydrophobicContact CD1-CB 4.22Å; L522-D529 HydrophobicContact CD2-CB 3.66Å; P526-D529 PolarHBondContact O-N 3.12Å; P527-D529 PolarHBondContact O-N 3.31Å; D529-S534 PolarHBondContact OD1-OG 3.34Å
530	T	80.2	Confident	83.7	Confident	72 Å²	72	71.4 Å²	71.4	44%	0.442	38%	0.382	S	S	.	.			trans	-76.5	150.4	171.8	63.8	0	0	0	0	110.2	G528 E532 F533 S534	G528-T530 VanDerWaalsContact C-N 3.25Å; G528-T530 PolarHBondContact O-N 2.96Å; T530-E532 PolarHBondContact O-N 2.88Å; T530-F533 PolarHBondContact O-N 3.25Å; T530-F533 VanDerWaalsContact OG1-CB 3.23Å; T530-F533 WeakPolarHBondContact OG1-CB 3.48Å; T530-F533 PolarHBondContact OG1-N 3.18Å; T530-S534 WeakPolarHBondContact O-CB 3.3Å; T530-S534 PolarHBondContact O-N 3.24Å
531	V	77.4	Confident	83.5	Confident	111 Å²	111	69.2 Å²	69.2	67%	0.673	37%	0.374	S	S	*	.	H	α-helix	trans	-52.3	-44.8	177.7	-179.6	0	0	0	0	110.9	F533 S534 E535	V531-F533 VanDerWaalsContact C-N 3.34Å; V531-F533 PolarHBondContact O-N 2.6Å; V531-S534 PolarHBondContact O-N 2.88Å; V531-E535 WeakPolarHBondContact O-CG 3.23Å; V531-E535 PolarHBondContact O-N 2.97Å
532	E	78	Confident	83.4	Confident	163 Å²	163	70.1 Å²	70.1	76%	0.762	38%	0.379	S	S	*	.	H	α-helix	trans	-60.7	-41.3	177.2	-61.3	-180	176.6	0	0	112.2	T530	T530-E532 PolarHBondContact O-N 2.88Å
533	F	81.2	Confident	83.4	Confident	8 Å²	8	70.9 Å²	70.9	4%	0.035	39%	0.386	C	S	.	.	H	α-helix	trans	-71.7	-37.8	178.3	-177.9	-111.2	0	0	0	112.4	I512 L518 F521 G528 T530 V531 E535 L536 K540 L542	I512-F533 HydrophobicContact CD1-CZ 4Å; L518-F533 HydrophobicContact CD1-CE1 3.63Å; L518-F533 HydrophobicContact CD1-CZ 4.26Å; F521-F533 HydrophobicContact CE1-CE1 4.29Å; G528-F533 WeakPolarHBondContact O-CD1 3.26Å; T530-F533 PolarHBondContact O-N 3.25Å; T530-F533 VanDerWaalsContact OG1-CB 3.23Å; T530-F533 WeakPolarHBondContact OG1-CB 3.48Å; T530-F533 PolarHBondContact OG1-N 3.18Å; V531-F533 VanDerWaalsContact C-N 3.34Å; V531-F533 PolarHBondContact O-N 2.6Å; F533-E535 VanDerWaalsContact C-N 3.3Å; F533-E535 PolarHBondContact O-N 3.4Å; F533-L536 HydrophobicContact CD2-CD1 3.94Å; F533-L536 PolarHBondContact O-N 3.42Å; F533-K540 HydrophobicContact CE1-CD 4.17Å; F533-K540 HydrophobicContact CE2-CB 3.74Å; F533-K540 HydrophobicContact CE2-CD 4.16Å; F533-K540 HydrophobicContact CE2-CG 4.48Å; F533-K540 HydrophobicContact CZ-CB 3.93Å; F533-K540 HydrophobicContact CZ-CD 3.86Å; F533-K540 PolarHBondContact O-NZ 3.23Å; F533-L542 HydrophobicContact CD2-CD2 3.5Å; F533-L542 HydrophobicContact CD2-CG 4.19Å; F533-L542 HydrophobicContact CE2-CD1 4.15Å; F533-L542 HydrophobicContact CE2-CD2 3.44Å; F533-L542 VanDerWaalsContact CE2-CD2 3.44Å; F533-L542 HydrophobicContact CE2-CG 3.58Å; F533-L542 HydrophobicContact CG-CD2 4.23Å; F533-L542 HydrophobicContact CZ-CD1 4.09Å; F533-L542 HydrophobicContact CZ-CD2 4.1Å; F533-L542 HydrophobicContact CZ-CG 4.04Å
534	S	77.4	Confident	83.6	Confident	62 Å²	62	64.2 Å²	64.2	43%	0.434	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-35.3	179	-114.5	0	0	0	0	112.3	D529 T530 V531 K540	D529-S534 PolarHBondContact OD1-OG 3.34Å; T530-S534 WeakPolarHBondContact O-CB 3.3Å; T530-S534 PolarHBondContact O-N 3.24Å; V531-S534 PolarHBondContact O-N 2.88Å; S534-K540 VanDerWaalsContact C-NZ 3.32Å; S534-K540 PolarHBondContact O-NZ 2.97Å
535	E	81.9	Confident	83.8	Confident	155 Å²	155	62.4 Å²	62.4	72%	0.724	35%	0.346	S	S	*	.	H	α-helix	trans	-76.9	-17.6	178.9	-69.9	-178.7	177.3	0	0	114.7	V531 F533	V531-E535 WeakPolarHBondContact O-CG 3.23Å; V531-E535 PolarHBondContact O-N 2.97Å; F533-E535 VanDerWaalsContact C-N 3.3Å; F533-E535 PolarHBondContact O-N 3.4Å
536	L	81.1	Confident	83.9	Confident	78 Å²	78	66.7 Å²	66.7	41%	0.408	36%	0.362	S	S	.	.	S	Bend	trans	-63.6	137.2	-177.7	-73.2	169.7	0	0	0	112.7	F533 K540	F533-L536 HydrophobicContact CD2-CD1 3.94Å; F533-L536 PolarHBondContact O-N 3.42Å; L536-K540 HydrophobicContact CB-CG 4.05Å; L536-K540 VanDerWaalsContact O-CE 3.31Å; L536-K540 WeakPolarHBondContact O-CE 3.47Å; L536-K540 PolarHBondContact O-NZ 2.84Å
537	P	83.4	Confident	84.3	Confident	101 Å²	101	64 Å²	64	66%	0.656	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-69.7	155.4	172.8	29.7	-34.4	0	0	0	111.6	P539	P537-P539 CarbonylContact O-C 3.58Å
538	F	84.8	Confident	84.9	Confident	95 Å²	95	62.5 Å²	62.5	42%	0.417	34%	0.335	S	S	.	.	S	Bend	trans	-74.5	143.6	172.6	-68.9	-79.7	0	0	0	111.4	I512 P515 L518 K540	I512-F538 HydrophobicContact CG2-CE1 4.26Å; P515-F538 HydrophobicContact CB-CZ 4.39Å; L518-F538 HydrophobicContact CD2-CZ 4.1Å; F538-K540 HydrophobicContact CD1-CD 4.41Å; F538-K540 HydrophobicContact CD1-CG 4.08Å; F538-K540 HydrophobicContact CE1-CD 4.03Å; F538-K540 HydrophobicContact CE1-CG 4.2Å; F538-K540 HydrophobicContact CZ-CD 4.38Å
539	P	83.7	Confident	85.5	Confident	95 Å²	95	62.2 Å²	62.2	62%	0.617	33%	0.332	S	S	*	.	S	Bend	cis	-75.5	128.5	-3.2	30.5	-33.5	0	0	0	112.1	I512 P537	I512-P539 CarbonylContact O-C 3.55Å; I512-P539 VanDerWaalsContact O-CA 3.3Å; I512-P539 WeakPolarHBondContact O-CA 3.36Å; P537-P539 CarbonylContact O-C 3.58Å
540	K	86.7	Confident	86.2	Confident	9 Å²	9	60.7 Å²	60.7	4%	0.039	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	137.4	177.3	-61.2	176.7	-179.2	-84.4	0	109	K511 I512 F533 S534 L536 F538	K511-K540 WeakPolarHBondContact CA-O 3.28Å; I512-K540 HydrophobicContact CB-CB 4.43Å; I512-K540 PolarHBondContact N-O 3.27Å; I512-K540 PolarHBondContact O-N 3.33Å; F533-K540 HydrophobicContact CE1-CD 4.17Å; F533-K540 HydrophobicContact CE2-CB 3.74Å; F533-K540 HydrophobicContact CE2-CD 4.16Å; F533-K540 HydrophobicContact CE2-CG 4.48Å; F533-K540 HydrophobicContact CZ-CB 3.93Å; F533-K540 HydrophobicContact CZ-CD 3.86Å; F533-K540 PolarHBondContact O-NZ 3.23Å; S534-K540 VanDerWaalsContact C-NZ 3.32Å; S534-K540 PolarHBondContact O-NZ 2.97Å; L536-K540 HydrophobicContact CB-CG 4.05Å; L536-K540 VanDerWaalsContact O-CE 3.31Å; L536-K540 WeakPolarHBondContact O-CE 3.47Å; L536-K540 PolarHBondContact O-NZ 2.84Å; F538-K540 HydrophobicContact CD1-CD 4.41Å; F538-K540 HydrophobicContact CD1-CG 4.08Å; F538-K540 HydrophobicContact CE1-CD 4.03Å; F538-K540 HydrophobicContact CE1-CG 4.2Å; F538-K540 HydrophobicContact CZ-CD 4.38Å
541	Q	84.6	Confident	86.9	Confident	100 Å²	100	57.4 Å²	57.4	47%	0.467	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.2	179.1	-174.3	173.6	-6.2	0	0	110.7	T509 I510 K511	T509-Q541 PolarHBondContact OG1-NE2 3.15Å; I510-Q541 WeakPolarHBondContact O-CA 3.49Å; K511-Q541 HydrophobicContact CG-CG 4.08Å
542	L	87.1	Confident	87.6	Confident	19 Å²	19	52.4 Å²	52.4	10%	0.099	27%	0.271	C	S	.	.			trans	-103.2	153.1	175.8	-68.7	163	0	0	0	110.4	T509 I510 F521 F533 F544	T509-L542 VanDerWaalsContact CB-O 3.24Å; T509-L542 WeakPolarHBondContact CB-O 3.27Å; I510-L542 HydrophobicContact CB-CB 4.32Å; I510-L542 HydrophobicContact CB-CD1 4.34Å; I510-L542 HydrophobicContact CD1-CD1 4.47Å; I510-L542 HydrophobicContact CG2-CD1 4.41Å; I510-L542 PolarHBondContact O-N 3.22Å; F521-L542 HydrophobicContact CE1-CD1 4.01Å; F521-L542 HydrophobicContact CE2-CD1 3.73Å; F521-L542 HydrophobicContact CZ-CD1 3.37Å; F533-L542 HydrophobicContact CD2-CD2 3.5Å; F533-L542 HydrophobicContact CD2-CG 4.19Å; F533-L542 HydrophobicContact CE2-CD1 4.15Å; F533-L542 HydrophobicContact CE2-CD2 3.44Å; F533-L542 VanDerWaalsContact CE2-CD2 3.44Å; F533-L542 HydrophobicContact CE2-CG 3.58Å; F533-L542 HydrophobicContact CG-CD2 4.23Å; F533-L542 HydrophobicContact CZ-CD1 4.09Å; F533-L542 HydrophobicContact CZ-CD2 4.1Å; F533-L542 HydrophobicContact CZ-CG 4.04Å; L542-F544 VanDerWaalsContact C-N 3.35Å; L542-F544 HydrophobicContact CB-CE1 4.33Å; L542-F544 HydrophobicContact CB-CE2 4.36Å; L542-F544 HydrophobicContact CB-CZ 4.23Å; L542-F544 HydrophobicContact CD1-CE2 3.93Å; L542-F544 HydrophobicContact CD1-CZ 3.81Å; L542-F544 HydrophobicContact CD2-CE1 4.12Å; L542-F544 HydrophobicContact CD2-CZ 4.02Å; L542-F544 HydrophobicContact CG-CZ 4.24Å
543	C	87.1	Confident	88.4	Confident	55 Å²	55	49.5 Å²	49.5	37%	0.372	25%	0.252	S	S	.	.	S	Bend	trans	-78.6	-18.2	-177.6	-62.3	0	0	0	0	113.6	Q612 I615 N772	C543-Q612 PolarHBondContact O-NE2 2.81Å; C543-I615 HydrophobicContact CB-CG2 4.02Å; C543-I615 VanDerWaalsContact O-CG2 3.29Å; C543-I615 WeakPolarHBondContact O-CG2 3.01Å; C543-N772 HydrophobicContact CB-CB 4.26Å
544	F	92.2	Very high	89	Confident	14 Å²	14	49.4 Å²	49.4	6%	0.061	25%	0.253	C	S	.	.	S	Bend	trans	-102.6	164.6	-178.5	52.6	-99.9	0	0	0	113.2	I510 F521 Y525 L542 V548 P549 I615 N616 E619	I510-F544 HydrophobicContact CD1-CD2 3.99Å; I510-F544 HydrophobicContact CD1-CE2 3.98Å; I510-F544 WeakPolarHBondContact CG1-O 3.37Å; I510-F544 PolarHBondContact N-O 2.88Å; F521-F544 HydrophobicContact CE2-CE2 4.46Å; F521-F544 HydrophobicContact CZ-CE2 4.43Å; F521-F544 HydrophobicContact CZ-CZ 4.44Å; Y525-F544 HydrophobicContact CE1-CZ 4.26Å; L542-F544 VanDerWaalsContact C-N 3.35Å; L542-F544 HydrophobicContact CB-CE1 4.33Å; L542-F544 HydrophobicContact CB-CE2 4.36Å; L542-F544 HydrophobicContact CB-CZ 4.23Å; L542-F544 HydrophobicContact CD1-CE2 3.93Å; L542-F544 HydrophobicContact CD1-CZ 3.81Å; L542-F544 HydrophobicContact CD2-CE1 4.12Å; L542-F544 HydrophobicContact CD2-CZ 4.02Å; L542-F544 HydrophobicContact CG-CZ 4.24Å; F544-V548 HydrophobicContact CB-CG2 3.91Å; F544-V548 HydrophobicContact CD2-CB 3.8Å; F544-V548 HydrophobicContact CD2-CG1 4.07Å; F544-V548 HydrophobicContact CD2-CG2 4.09Å; F544-V548 HydrophobicContact CE2-CB 4.25Å; F544-V548 HydrophobicContact CE2-CG1 4.11Å; F544-V548 HydrophobicContact CG-CB 4.29Å; F544-V548 HydrophobicContact CG-CG1 4.5Å; F544-V548 HydrophobicContact CG-CG2 4.11Å; F544-P549 HydrophobicContact CE2-CG 4.34Å; F544-I615 HydrophobicContact CB-CG2 4.44Å; F544-N616 VanDerWaalsContact CA-OD1 3.3Å; F544-N616 WeakPolarHBondContact CA-OD1 3.49Å; F544-N616 WeakPolarHBondContact CB-OD1 3.28Å; F544-E619 HydrophobicContact CB-CB 4.48Å; F544-E619 HydrophobicContact CD1-CB 3.92Å; F544-E619 HydrophobicContact CD1-CG 3.57Å; F544-E619 HydrophobicContact CE1-CB 4.47Å; F544-E619 HydrophobicContact CE1-CG 3.65Å; F544-E619 HydrophobicContact CG-CB 4.34Å; F544-E619 HydrophobicContact CG-CG 4.11Å; F544-E619 HydrophobicContact CZ-CG 4.25Å
545	S	92.5	Very high	89.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.			trans	-91.9	175.5	175.9	90.7	0	0	0	0	112.7	D505 E508 I547 V548 N616	D505-S545 PolarHBondContact OD1-OG 3.4Å; D505-S545 WeakPolarHBondContact OD2-CB 3.15Å; D505-S545 PolarHBondContact OD2-OG 2.98Å; E508-S545 WeakPolarHBondContact O-CA 3.23Å; E508-S545 WeakPolarHBondContact O-CB 3.22Å; S545-I547 PolarHBondContact O-N 2.97Å; S545-I547 VanDerWaalsContact O-N 3.07Å; S545-I547 PolarHBondContact OG-N 2.67Å; S545-V548 PolarHBondContact O-N 3.47Å; S545-N616 PolarHBondContact N-OD1 2.88Å; S545-N616 PolarHBondContact OG-ND2 3.16Å
546	W	93.1	Very high	90.3	Very high	90 Å²	90	42.8 Å²	42.8	34%	0.341	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-11.6	179.4	-75.9	103	0	0	0	114.8	I510 F521 M524 V548 P549 K550	I510-W546 HydrophobicContact CD1-CD2 3.9Å; I510-W546 HydrophobicContact CD1-CE3 4.17Å; I510-W546 HydrophobicContact CD1-CG 4.16Å; I510-W546 HydrophobicContact CG1-CD2 4.03Å; I510-W546 HydrophobicContact CG1-CG 4.03Å; I510-W546 HydrophobicContact CG2-CH2 4.35Å; I510-W546 HydrophobicContact CG2-CZ2 3.71Å; F521-W546 HydrophobicContact CD2-CH2 4.08Å; F521-W546 HydrophobicContact CD2-CZ3 4.03Å; M524-W546 HydrophobicContact SD-CZ3 4.42Å; W546-V548 PolarHBondContact O-N 3.3Å; W546-P549 HydrophobicContact CE3-CB 4.39Å; W546-P549 HydrophobicContact CE3-CG 4.27Å; W546-K550 VanDerWaalsContact O-CB 3.29Å; W546-K550 WeakPolarHBondContact O-CB 3.36Å; W546-K550 VanDerWaalsContact O-CG 3.23Å; W546-K550 WeakPolarHBondContact O-CG 3.38Å; W546-K550 PolarHBondContact O-N 3.16Å; W546-K550 VanDerWaalsContact O-N 3.17Å
547	I	94.2	Very high	90.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-53.9	-42.7	171.6	-74.6	169.2	0	0	0	111.2	I501 D505 Y507 S545 I551	I501-I547 HydrophobicContact CG2-CG1 4.41Å; D505-I547 HydrophobicContact CB-CD1 3.72Å; D505-I547 HydrophobicContact CB-CG1 3.66Å; D505-I547 VanDerWaalsContact CG-CG1 3.42Å; D505-I547 VanDerWaalsContact OD2-CD1 3.24Å; D505-I547 WeakPolarHBondContact OD2-CD1 3.31Å; Y507-I547 HydrophobicContact CD1-CD1 4.14Å; Y507-I547 HydrophobicContact CE1-CD1 3.57Å; S545-I547 PolarHBondContact O-N 2.97Å; S545-I547 VanDerWaalsContact O-N 3.07Å; S545-I547 PolarHBondContact OG-N 2.67Å; I547-I551 HydrophobicContact CG2-CD1 3.42Å; I547-I551 VanDerWaalsContact CG2-CD1 3.42Å; I547-I551 HydrophobicContact CG2-CG1 4.22Å; I547-I551 WeakPolarHBondContact O-CB 3.08Å; I547-I551 VanDerWaalsContact O-CG1 3.26Å; I547-I551 WeakPolarHBondContact O-CG1 3.47Å; I547-I551 PolarHBondContact O-N 3.01Å
548	V	94.9	Very high	91.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-60.5	-175	167.8	0	0	0	0	111.6	F544 S545 W546 K550 I551 Y552 N616 E619 L620 V623	F544-V548 HydrophobicContact CB-CG2 3.91Å; F544-V548 HydrophobicContact CD2-CB 3.8Å; F544-V548 HydrophobicContact CD2-CG1 4.07Å; F544-V548 HydrophobicContact CD2-CG2 4.09Å; F544-V548 HydrophobicContact CE2-CB 4.25Å; F544-V548 HydrophobicContact CE2-CG1 4.11Å; F544-V548 HydrophobicContact CG-CB 4.29Å; F544-V548 HydrophobicContact CG-CG1 4.5Å; F544-V548 HydrophobicContact CG-CG2 4.11Å; S545-V548 PolarHBondContact O-N 3.47Å; W546-V548 PolarHBondContact O-N 3.3Å; V548-K550 VanDerWaalsContact C-N 3.3Å; V548-K550 PolarHBondContact O-N 3.32Å; V548-I551 PolarHBondContact O-N 3.02Å; V548-Y552 PolarHBondContact O-N 3.22Å; V548-N616 HydrophobicContact CG2-CB 4.03Å; V548-E619 HydrophobicContact CB-CG 4.44Å; V548-E619 HydrophobicContact CG1-CB 4.31Å; V548-E619 HydrophobicContact CG1-CG 3.51Å; V548-E619 HydrophobicContact CG2-CB 4.1Å; V548-E619 HydrophobicContact CG2-CG 4.18Å; V548-L620 HydrophobicContact CG2-CD2 4.36Å; V548-L620 HydrophobicContact CG2-CG 4.13Å; V548-V623 HydrophobicContact CG1-CG2 3.88Å
549	P	93.7	Very high	91.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.2	-40.7	176.6	-27.4	34.1	0	0	0	113.5	I510 F521 M524 F544 W546 Y552 R553	I510-P549 HydrophobicContact CD1-CG 4.08Å; F521-P549 HydrophobicContact CD2-CG 4.32Å; F521-P549 HydrophobicContact CE2-CG 3.68Å; M524-P549 HydrophobicContact CG-CB 3.95Å; M524-P549 HydrophobicContact SD-CB 3.85Å; F544-P549 HydrophobicContact CE2-CG 4.34Å; W546-P549 HydrophobicContact CE3-CB 4.39Å; W546-P549 HydrophobicContact CE3-CG 4.27Å; P549-Y552 PolarHBondContact O-N 2.87Å; P549-R553 WeakPolarHBondContact O-CB 3.47Å; P549-R553 PolarHBondContact O-N 2.86Å
550	K	94.4	Very high	92	Very high	45 Å²	45	31.2 Å²	31.2	20%	0.196	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-42.5	-179	-74.2	-179.9	177.6	-174.7	0	111.4	I501 M524 W546 V548 T554	I501-K550 HydrophobicContact CD1-CB 4.06Å; I501-K550 HydrophobicContact CG1-CB 4.17Å; I501-K550 HydrophobicContact CG1-CD 4.35Å; I501-K550 HydrophobicContact CG2-CB 3.85Å; I501-K550 HydrophobicContact CG2-CD 4.06Å; M524-K550 HydrophobicContact SD-CG 4.23Å; W546-K550 VanDerWaalsContact O-CB 3.29Å; W546-K550 WeakPolarHBondContact O-CB 3.36Å; W546-K550 VanDerWaalsContact O-CG 3.23Å; W546-K550 WeakPolarHBondContact O-CG 3.38Å; W546-K550 PolarHBondContact O-N 3.16Å; W546-K550 VanDerWaalsContact O-N 3.17Å; V548-K550 VanDerWaalsContact C-N 3.3Å; V548-K550 PolarHBondContact O-N 3.32Å; K550-T554 VanDerWaalsContact O-CB 3.29Å; K550-T554 WeakPolarHBondContact O-CB 3.41Å; K550-T554 PolarHBondContact O-N 3.04Å; K550-T554 PolarHBondContact O-OG1 3.31Å
551	I	94.8	Very high	92.3	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-66.3	-47.5	175.9	-72.9	173	0	0	0	110.4	F498 I501 I547 V548 R553 T554 V555 L592 L596 L620	F498-I551 HydrophobicContact CD1-CG1 4.38Å; F498-I551 HydrophobicContact CE1-CG2 4.4Å; I501-I551 HydrophobicContact CG2-CG1 4.45Å; I547-I551 HydrophobicContact CG2-CD1 3.42Å; I547-I551 VanDerWaalsContact CG2-CD1 3.42Å; I547-I551 HydrophobicContact CG2-CG1 4.22Å; I547-I551 WeakPolarHBondContact O-CB 3.08Å; I547-I551 VanDerWaalsContact O-CG1 3.26Å; I547-I551 WeakPolarHBondContact O-CG1 3.47Å; I547-I551 PolarHBondContact O-N 3.01Å; V548-I551 PolarHBondContact O-N 3.02Å; I551-R553 PolarHBondContact O-N 2.96Å; I551-T554 PolarHBondContact O-N 3.19Å; I551-T554 VanDerWaalsContact O-N 3.17Å; I551-V555 HydrophobicContact CG2-CG2 4.1Å; I551-V555 VanDerWaalsContact O-CG2 3.31Å; I551-V555 WeakPolarHBondContact O-CG2 3.49Å; I551-V555 PolarHBondContact O-N 2.92Å; I551-L592 HydrophobicContact CD1-CD1 4.08Å; I551-L592 HydrophobicContact CG2-CD1 4.35Å; I551-L592 HydrophobicContact CG2-CD2 4.41Å; I551-L596 HydrophobicContact CD1-CD2 4.26Å; I551-L620 HydrophobicContact CB-CD2 3.93Å; I551-L620 HydrophobicContact CD1-CD1 3.85Å; I551-L620 HydrophobicContact CD1-CD2 4.11Å; I551-L620 HydrophobicContact CG2-CD2 3.76Å
552	Y	93.8	Very high	92.6	Very high	7 Å²	7	28.2 Å²	28.2	3%	0.027	13%	0.129	C	C	.	.	H	α-helix	trans	-52.8	-53.4	177.2	170.7	-93.6	0	0	0	111.2	M524 Y525 P527 V548 P549 T554 V555 R556 V623 H626 L627	M524-Y552 WeakPolarHBondContact O-CD1 3.29Å; Y525-Y552 AromaticContact CD2-CD1 3.64Å; Y525-Y552 HydrophobicContact CD2-CD1 3.64Å; Y525-Y552 HydrophobicContact CD2-CD2 4.03Å; Y525-Y552 HydrophobicContact CD2-CE1 4.14Å; Y525-Y552 AromaticContact CD2-CG 3.57Å; Y525-Y552 HydrophobicContact CD2-CG 3.57Å; Y525-Y552 HydrophobicContact CE2-CD1 4.4Å; Y525-Y552 AromaticContact CE2-CD2 3.97Å; Y525-Y552 HydrophobicContact CE2-CD2 3.97Å; Y525-Y552 HydrophobicContact CE2-CE2 4.46Å; Y525-Y552 AromaticContact CE2-CG 3.94Å; Y525-Y552 HydrophobicContact CE2-CG 3.94Å; P527-Y552 HydrophobicContact CG-CE2 4.03Å; V548-Y552 PolarHBondContact O-N 3.22Å; P549-Y552 PolarHBondContact O-N 2.87Å; Y552-T554 VanDerWaalsContact C-N 3.34Å; Y552-T554 PolarHBondContact O-N 3Å; Y552-V555 PolarHBondContact O-N 3.36Å; Y552-R556 WeakPolarHBondContact O-CB 3.48Å; Y552-R556 PolarHBondContact O-N 2.83Å; Y552-V623 HydrophobicContact CD2-CG1 3.96Å; Y552-H626 HydrophobicContact CE2-CB 4.26Å; Y552-L627 HydrophobicContact CD2-CD2 3.78Å; Y552-L627 HydrophobicContact CD2-CG 3.93Å; Y552-L627 HydrophobicContact CE2-CD2 3.71Å; Y552-L627 HydrophobicContact CE2-CG 4.02Å
553	R	93.9	Very high	92.7	Very high	101 Å²	101	28.6 Å²	28.6	38%	0.381	13%	0.129	S	C	.	.	H	α-helix	trans	-58.8	-45.7	178.4	178.8	-178.9	58.6	163.8	3.9	111.8	M524 P549 I551 V555 R556 E557	M524-R553 HydrophobicContact CG-CB 4.04Å; P549-R553 WeakPolarHBondContact O-CB 3.47Å; P549-R553 PolarHBondContact O-N 2.86Å; I551-R553 PolarHBondContact O-N 2.96Å; R553-V555 VanDerWaalsContact C-N 3.33Å; R553-V555 PolarHBondContact O-N 2.95Å; R553-R556 WeakPolarHBondContact O-CB 3.45Å; R553-R556 PolarHBondContact O-N 3.3Å; R553-E557 WeakPolarHBondContact O-CG 3.5Å; R553-E557 PolarHBondContact O-N 3.3Å
554	T	94.5	Very high	92.7	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.043	13%	0.13	C	C	.	.	H	α-helix	trans	-64.2	-38.6	-177.8	-57.6	0	0	0	0	111.8	W494 K497 F498 I501 K550 I551 Y552 Y558	W494-T554 HydrophobicContact CG-CG2 4.48Å; W494-T554 PolarHBondContact NE1-O 3.35Å; K497-T554 HydrophobicContact CB-CG2 4.19Å; K497-T554 HydrophobicContact CD-CG2 4.1Å; F498-T554 HydrophobicContact CD1-CG2 4.1Å; F498-T554 HydrophobicContact CE1-CG2 3.58Å; F498-T554 HydrophobicContact CZ-CG2 4.14Å; I501-T554 HydrophobicContact CD1-CG2 4.5Å; I501-T554 WeakPolarHBondContact CD1-OG1 3.29Å; K550-T554 VanDerWaalsContact O-CB 3.29Å; K550-T554 WeakPolarHBondContact O-CB 3.41Å; K550-T554 PolarHBondContact O-N 3.04Å; K550-T554 PolarHBondContact O-OG1 3.31Å; I551-T554 PolarHBondContact O-N 3.19Å; I551-T554 VanDerWaalsContact O-N 3.17Å; Y552-T554 VanDerWaalsContact C-N 3.34Å; Y552-T554 PolarHBondContact O-N 3Å; T554-Y558 PolarHBondContact O-N 3.39Å; T554-Y558 VanDerWaalsContact O-N 3.14Å
555	V	94.5	Very high	92.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-71.6	-40.7	175	179.1	0	0	0	0	110.7	F498 I551 Y552 R553 E557 Y558 I559 T584 L587 F588 L627	F498-V555 HydrophobicContact CE1-CG2 4.16Å; F498-V555 HydrophobicContact CZ-CG2 3.83Å; I551-V555 HydrophobicContact CG2-CG2 4.1Å; I551-V555 VanDerWaalsContact O-CG2 3.31Å; I551-V555 WeakPolarHBondContact O-CG2 3.49Å; I551-V555 PolarHBondContact O-N 2.92Å; Y552-V555 PolarHBondContact O-N 3.36Å; R553-V555 VanDerWaalsContact C-N 3.33Å; R553-V555 PolarHBondContact O-N 2.95Å; V555-E557 VanDerWaalsContact C-N 3.34Å; V555-E557 PolarHBondContact O-N 3.17Å; V555-Y558 WeakPolarHBondContact O-CA 3.22Å; V555-Y558 VanDerWaalsContact O-CB 3.26Å; V555-Y558 WeakPolarHBondContact O-CB 3.31Å; V555-Y558 PolarHBondContact O-N 3.14Å; V555-Y558 VanDerWaalsContact O-N 3.08Å; V555-I559 HydrophobicContact CG1-CD1 4.13Å; V555-I559 HydrophobicContact CG1-CG1 4.42Å; V555-I559 WeakPolarHBondContact O-CG1 3.49Å; V555-I559 PolarHBondContact O-N 3.28Å; V555-T584 HydrophobicContact CG1-CG2 4.23Å; V555-L587 HydrophobicContact CG2-CD2 4.47Å; V555-F588 HydrophobicContact CG1-CE1 3.91Å; V555-F588 HydrophobicContact CG1-CZ 4Å; V555-F588 HydrophobicContact CG2-CE1 4Å; V555-L627 HydrophobicContact CB-CD1 3.98Å; V555-L627 HydrophobicContact CB-CD2 4.37Å; V555-L627 HydrophobicContact CG1-CD1 3.63Å; V555-L627 HydrophobicContact CG1-CD2 4.16Å
556	R	92.1	Very high	92.3	Very high	78 Å²	78	30.6 Å²	30.6	29%	0.294	13%	0.13	S	C	.	.	H	α-helix	trans	-57.6	-45.6	174.1	-173.6	-176.8	171.4	-162.3	-1.6	111.9	Y552 R553 Y558 I559 N560 L627 Y630	Y552-R556 WeakPolarHBondContact O-CB 3.48Å; Y552-R556 PolarHBondContact O-N 2.83Å; R553-R556 WeakPolarHBondContact O-CB 3.45Å; R553-R556 PolarHBondContact O-N 3.3Å; R556-Y558 VanDerWaalsContact C-N 3.3Å; R556-Y558 PolarHBondContact O-N 3.42Å; R556-I559 PolarHBondContact O-N 2.96Å; R556-N560 PolarHBondContact O-N 3.42Å; R556-N560 PolarHBondContact O-OD1 2.87Å; R556-L627 HydrophobicContact CB-CD2 4.35Å; R556-Y630 HydrophobicContact CG-CD1 4.08Å; R556-Y630 HydrophobicContact CG-CE1 3.56Å; R556-Y630 HydrophobicContact CG-CE2 4.3Å; R556-Y630 PolarHBondContact NE-OH 2.85Å
557	E	92.5	Very high	91.8	Very high	69 Å²	69	30.4 Å²	30.4	32%	0.322	13%	0.133	S	C	.	.	H	α-helix	trans	-58.5	-40.5	173.3	-74.4	172.5	-162.5	0	0	112.2	W494 K497 R553 V555 N560 L561	W494-E557 HydrophobicContact CZ2-CB 4.39Å; K497-E557 IonicContact NZ-OE2 3.98Å; K497-E557 PolarHBondContact NZ-OE2 3.24Å; R553-E557 WeakPolarHBondContact O-CG 3.5Å; R553-E557 PolarHBondContact O-N 3.3Å; V555-E557 VanDerWaalsContact C-N 3.34Å; V555-E557 PolarHBondContact O-N 3.17Å; E557-N560 PolarHBondContact O-N 3Å; E557-L561 WeakPolarHBondContact O-CG 3.26Å; E557-L561 PolarHBondContact O-N 3.4Å
558	Y	94.3	Very high	91	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-47.9	176	-175.2	-97.8	0	0	0	111.6	L490 W494 T554 V555 R556 N560 L561 C562 A583 L587	L490-Y558 HydrophobicContact CB-CD2 4.23Å; L490-Y558 HydrophobicContact CB-CE2 3.67Å; L490-Y558 HydrophobicContact CD1-CD2 4.45Å; L490-Y558 HydrophobicContact CD1-CE2 4.18Å; W494-Y558 AromaticContact CD1-CD2 3.88Å; W494-Y558 AromaticContact CD2-CD2 3.85Å; W494-Y558 HydrophobicContact CD2-CD2 3.85Å; W494-Y558 AromaticContact CE2-CD2 3.93Å; W494-Y558 HydrophobicContact CE3-CD2 4.49Å; W494-Y558 AromaticContact CG-CD2 3.85Å; W494-Y558 HydrophobicContact CG-CD2 3.85Å; W494-Y558 AromaticContact NE1-CD2 3.96Å; T554-Y558 PolarHBondContact O-N 3.39Å; T554-Y558 VanDerWaalsContact O-N 3.14Å; V555-Y558 WeakPolarHBondContact O-CA 3.22Å; V555-Y558 VanDerWaalsContact O-CB 3.26Å; V555-Y558 WeakPolarHBondContact O-CB 3.31Å; V555-Y558 PolarHBondContact O-N 3.14Å; V555-Y558 VanDerWaalsContact O-N 3.08Å; R556-Y558 VanDerWaalsContact C-N 3.3Å; R556-Y558 PolarHBondContact O-N 3.42Å; Y558-N560 VanDerWaalsContact C-N 3.31Å; Y558-N560 PolarHBondContact O-N 3.08Å; Y558-L561 PolarHBondContact O-N 3.47Å; Y558-L561 VanDerWaalsContact O-N 3.12Å; Y558-C562 WeakPolarHBondContact CE1-SG 3.44Å; Y558-C562 PolarHBondContact O-N 3.13Å; Y558-A583 HydrophobicContact CE1-CB 4.27Å; Y558-A583 PolarHBondContact OH-O 2.82Å; Y558-L587 HydrophobicContact CD1-CD2 3.76Å; Y558-L587 HydrophobicContact CD2-CD1 4.23Å; Y558-L587 HydrophobicContact CD2-CD2 3.98Å; Y558-L587 HydrophobicContact CE1-CB 4.08Å; Y558-L587 HydrophobicContact CE1-CD2 4.13Å; Y558-L587 HydrophobicContact CE2-CD1 4.02Å; Y558-L587 HydrophobicContact CE2-CD2 4.34Å; Y558-L587 HydrophobicContact CG-CD2 3.67Å
559	I	91.6	Very high	90.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.6	-45.1	179.9	-65	171.4	0	0	0	109.8	V555 R556 L561 C562 Y563 I580 T584 L627 L631 L635	V555-I559 HydrophobicContact CG1-CD1 4.13Å; V555-I559 HydrophobicContact CG1-CG1 4.42Å; V555-I559 WeakPolarHBondContact O-CG1 3.49Å; V555-I559 PolarHBondContact O-N 3.28Å; R556-I559 PolarHBondContact O-N 2.96Å; I559-L561 VanDerWaalsContact C-N 3.29Å; I559-L561 PolarHBondContact O-N 3.2Å; I559-C562 WeakPolarHBondContact O-CB 3.35Å; I559-C562 PolarHBondContact O-N 3.17Å; I559-Y563 PolarHBondContact O-N 2.69Å; I559-I580 HydrophobicContact CG2-CG2 3.79Å; I559-T584 HydrophobicContact CD1-CG2 4.37Å; I559-T584 HydrophobicContact CG1-CG2 4.28Å; I559-L627 HydrophobicContact CD1-CD2 4.16Å; I559-L631 HydrophobicContact CG2-CD1 4.18Å; I559-L635 HydrophobicContact CB-CD1 4.41Å; I559-L635 HydrophobicContact CG2-CD1 3.29Å
560	N	90.4	Very high	89.5	Confident	57 Å²	57	40.6 Å²	40.6	31%	0.305	19%	0.187	S	C	.	.	H	α-helix	trans	-60.6	-38	176.7	-67.9	-2.7	0	0	0	112.1	R556 E557 Y558 Y563 R564 Y630	R556-N560 PolarHBondContact O-N 3.42Å; R556-N560 PolarHBondContact O-OD1 2.87Å; E557-N560 PolarHBondContact O-N 3Å; Y558-N560 VanDerWaalsContact C-N 3.31Å; Y558-N560 PolarHBondContact O-N 3.08Å; N560-Y563 WeakPolarHBondContact O-CB 3.36Å; N560-Y563 PolarHBondContact O-N 2.98Å; N560-R564 WeakPolarHBondContact O-CB 3.49Å; N560-R564 PolarHBondContact O-N 3.05Å; N560-Y630 PolarHBondContact ND2-OH 3.05Å; N560-Y630 WeakPolarHBondContact OD1-CE1 3.24Å; N560-Y630 PolarHBondContact OD1-OH 3.33Å
561	L	91.6	Very high	88.8	Confident	44 Å²	44	41.3 Å²	41.3	23%	0.23	19%	0.192	C	C	.	.	H	α-helix	trans	-73.6	-32	176.6	-72.5	171.1	0	0	0	113.3	Y486 L490 W494 E557 Y558 I559 F565	Y486-L561 PolarHBondContact OH-O 3.21Å; L490-L561 HydrophobicContact CD1-CB 4.16Å; L490-L561 HydrophobicContact CD2-CD1 4.21Å; W494-L561 HydrophobicContact CH2-CD1 3.14Å; W494-L561 HydrophobicContact CZ2-CD1 3.51Å; W494-L561 HydrophobicContact CZ3-CD1 4.21Å; E557-L561 WeakPolarHBondContact O-CG 3.26Å; E557-L561 PolarHBondContact O-N 3.4Å; Y558-L561 PolarHBondContact O-N 3.47Å; Y558-L561 VanDerWaalsContact O-N 3.12Å; I559-L561 VanDerWaalsContact C-N 3.29Å; I559-L561 PolarHBondContact O-N 3.2Å; L561-F565 PolarHBondContact O-N 3.06Å
562	C	91.3	Very high	88.2	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.007	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-41.9	169	-77.2	0	0	0	0	111	Y558 I559 F565 C566 I580	Y558-C562 WeakPolarHBondContact CE1-SG 3.44Å; Y558-C562 PolarHBondContact O-N 3.13Å; I559-C562 WeakPolarHBondContact O-CB 3.35Å; I559-C562 PolarHBondContact O-N 3.17Å; C562-F565 PolarHBondContact O-N 2.86Å; C562-C566 PolarHBondContact O-N 3.37Å; C562-C566 PolarHBondContact O-SG 2.86Å; C562-I580 HydrophobicContact CB-CG1 4.36Å; C562-I580 HydrophobicContact CB-CG2 4.41Å
563	Y	88.7	Confident	87.3	Confident	28 Å²	28	49.3 Å²	49.3	11%	0.11	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-48.6	174.1	-178.9	-90	0	0	0	111.5	I559 N560 F565 C566 E567 L576 I580 L635 A639	I559-Y563 PolarHBondContact O-N 2.69Å; N560-Y563 WeakPolarHBondContact O-CB 3.36Å; N560-Y563 PolarHBondContact O-N 2.98Å; Y563-F565 PolarHBondContact O-N 2.78Å; Y563-F565 VanDerWaalsContact O-N 3.17Å; Y563-C566 CarbonylContact O-C 3.49Å; Y563-C566 WeakPolarHBondContact O-CA 3.49Å; Y563-C566 WeakPolarHBondContact O-CB 3.23Å; Y563-C566 PolarHBondContact O-N 2.77Å; Y563-E567 HydrophobicContact CD1-CG 4.33Å; Y563-E567 HydrophobicContact CE1-CG 4.05Å; Y563-E567 PolarHBondContact O-N 2.73Å; Y563-L576 HydrophobicContact CD2-CD2 4.22Å; Y563-L576 HydrophobicContact CE2-CD2 3.93Å; Y563-I580 HydrophobicContact CD2-CD1 4.17Å; Y563-L635 HydrophobicContact CG-CD2 4.29Å; Y563-A639 HydrophobicContact CE2-CB 4.01Å; Y563-A639 WeakPolarHBondContact OH-CB 3.34Å
564	R	87.4	Confident	86.7	Confident	102 Å²	102	48.5 Å²	48.5	39%	0.385	24%	0.24	S	C	.	.	H	α-helix	trans	-55.4	-34.7	176.8	-173.4	179.7	176.6	-147.2	-5.1	113.3	N449 I452 N560 C566 E567	N449-R564 PolarHBondContact OD1-NH1 3.34Å; I452-R564 HydrophobicContact CD1-CG 4.36Å; N560-R564 WeakPolarHBondContact O-CB 3.49Å; N560-R564 PolarHBondContact O-N 3.05Å; R564-C566 VanDerWaalsContact C-N 3.3Å; R564-E567 WeakPolarHBondContact O-CB 3.26Å
565	F	89.5	Confident	86.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.7	-33.8	174	-177.5	-86.4	0	0	0	112.1	I452 K455 V482 Q483 Y486 L561 C562 Y563 M569	I452-F565 HydrophobicContact CG1-CD2 4.26Å; K455-F565 HydrophobicContact CB-CE2 4.3Å; K455-F565 HydrophobicContact CB-CZ 4.44Å; K455-F565 HydrophobicContact CD-CD1 4.29Å; K455-F565 HydrophobicContact CD-CD2 4.11Å; K455-F565 HydrophobicContact CD-CE1 3.96Å; K455-F565 HydrophobicContact CD-CE2 3.81Å; K455-F565 HydrophobicContact CD-CG 4.34Å; K455-F565 HydrophobicContact CD-CZ 3.71Å; K455-F565 WeakPolarHBondContact CD-O 3.22Å; K455-F565 WeakPolarHBondContact CE-O 3.21Å; K455-F565 HydrophobicContact CG-CE2 4.38Å; K455-F565 HydrophobicContact CG-CZ 4.15Å; K455-F565 PolarHBondContact NZ-O 3.05Å; V482-F565 HydrophobicContact CG1-CE2 4.12Å; V482-F565 HydrophobicContact CG1-CZ 4.28Å; Q483-F565 HydrophobicContact CB-CD1 4.38Å; Q483-F565 HydrophobicContact CB-CE1 3.43Å; Q483-F565 VanDerWaalsContact CB-CE1 3.43Å; Q483-F565 HydrophobicContact CB-CZ 3.59Å; Q483-F565 HydrophobicContact CG-CD1 3.98Å; Q483-F565 HydrophobicContact CG-CE1 3.48Å; Q483-F565 VanDerWaalsContact CG-CE1 3.48Å; Q483-F565 HydrophobicContact CG-CZ 4.09Å; Y486-F565 HydrophobicContact CD1-CB 3.88Å; Y486-F565 AromaticContact CD1-CD2 3.6Å; Y486-F565 HydrophobicContact CD1-CD2 3.6Å; Y486-F565 HydrophobicContact CD1-CE2 4.37Å; Y486-F565 AromaticContact CD1-CG 3.78Å; Y486-F565 HydrophobicContact CD1-CG 3.78Å; Y486-F565 AromaticContact CD2-CD2 3.84Å; Y486-F565 HydrophobicContact CD2-CD2 3.84Å; Y486-F565 HydrophobicContact CD2-CE2 4.42Å; Y486-F565 HydrophobicContact CE1-CB 3.49Å; Y486-F565 VanDerWaalsContact CE1-CB 3.49Å; Y486-F565 AromaticContact CE1-CD2 3.97Å; Y486-F565 HydrophobicContact CE1-CD2 3.97Å; Y486-F565 AromaticContact CE1-CG 3.94Å; Y486-F565 HydrophobicContact CE1-CG 3.94Å; Y486-F565 HydrophobicContact CE2-CD2 4.2Å; Y486-F565 AromaticContact CG-CD2 3.52Å; Y486-F565 HydrophobicContact CG-CD2 3.52Å; Y486-F565 AromaticContact CG-CE2 4Å; Y486-F565 HydrophobicContact CG-CE2 4Å; Y486-F565 HydrophobicContact CG-CG 4.19Å; L561-F565 PolarHBondContact O-N 3.06Å; C562-F565 PolarHBondContact O-N 2.86Å; Y563-F565 PolarHBondContact O-N 2.78Å; Y563-F565 VanDerWaalsContact O-N 3.17Å; F565-M569 HydrophobicContact CD1-CE 3.73Å; F565-M569 HydrophobicContact CE1-CE 3.71Å; F565-M569 HydrophobicContact CE1-SD 4.16Å
566	C	87.8	Confident	85.6	Confident	8 Å²	8	53.7 Å²	53.7	5%	0.054	26%	0.264	C	S	.	.	H	α-helix	trans	-81.8	-11.6	-179.5	-55.7	0	0	0	0	114.3	C562 Y563 R564 N568 M569 L571 L576	C562-C566 PolarHBondContact O-N 3.37Å; C562-C566 PolarHBondContact O-SG 2.86Å; Y563-C566 CarbonylContact O-C 3.49Å; Y563-C566 WeakPolarHBondContact O-CA 3.49Å; Y563-C566 WeakPolarHBondContact O-CB 3.23Å; Y563-C566 PolarHBondContact O-N 2.77Å; R564-C566 VanDerWaalsContact C-N 3.3Å; C566-N568 PolarHBondContact O-N 3.01Å; C566-M569 VanDerWaalsContact CA-CE 3.48Å; C566-M569 HydrophobicContact CB-CE 3.85Å; C566-M569 WeakPolarHBondContact O-CB 3.31Å; C566-M569 PolarHBondContact O-N 3.49Å; C566-M569 VanDerWaalsContact O-N 3.11Å; C566-L571 HydrophobicContact CB-CD1 4.16Å; C566-L576 HydrophobicContact CB-CD1 3.29Å
567	E	82.5	Confident	85.1	Confident	87 Å²	87	50.6 Å²	50.6	41%	0.407	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	138.8	167.8	-70.3	174.4	175.2	0	0	110.1	K455 Y563 R564 M569	K455-E567 PolarHBondContact NZ-O 2.76Å; Y563-E567 HydrophobicContact CD1-CG 4.33Å; Y563-E567 HydrophobicContact CE1-CG 4.05Å; Y563-E567 PolarHBondContact O-N 2.73Å; R564-E567 WeakPolarHBondContact O-CB 3.26Å; E567-M569 PolarHBondContact O-N 3.49Å; E567-M569 VanDerWaalsContact O-N 3.13Å
568	N	77.5	Confident	84.8	Confident	61 Å²	61	49.3 Å²	49.3	33%	0.326	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	-5.6	-177.5	-48.9	-36	0	0	0	116.5	I237 R463 C566	I237-N568 HydrophobicContact CD1-CB 4.02Å; I237-N568 HydrophobicContact CG1-CB 4.19Å; R463-N568 PolarHBondContact NH2-O 2.96Å; C566-N568 PolarHBondContact O-N 3.01Å
569	M	80.9	Confident	84.4	Confident	32 Å²	32	50.1 Å²	50.1	16%	0.158	25%	0.254	C	S	.	.	S	Bend	trans	-79.4	126.8	168.4	-59.5	-156	-75	0	0	108.4	I459 I479 F565 C566 E567 L571	I459-M569 HydrophobicContact CD1-CG 3.99Å; I479-M569 HydrophobicContact CG2-SD 3.49Å; I479-M569 WeakPolarHBondContact CG2-SD 3.47Å; F565-M569 HydrophobicContact CD1-CE 3.73Å; F565-M569 HydrophobicContact CE1-CE 3.71Å; F565-M569 HydrophobicContact CE1-SD 4.16Å; C566-M569 VanDerWaalsContact CA-CE 3.48Å; C566-M569 HydrophobicContact CB-CE 3.85Å; C566-M569 WeakPolarHBondContact O-CB 3.31Å; C566-M569 PolarHBondContact O-N 3.49Å; C566-M569 VanDerWaalsContact O-N 3.11Å; E567-M569 PolarHBondContact O-N 3.49Å; E567-M569 VanDerWaalsContact O-N 3.13Å; M569-L571 HydrophobicContact CB-CD1 3.8Å; M569-L571 HydrophobicContact CB-CG 3.92Å; M569-L571 HydrophobicContact CE-CD1 3.75Å; M569-L571 PolarHBondContact O-N 3.29Å
570	D	76	Confident	84.2	Confident	123 Å²	123	50.2 Å²	50.2	66%	0.658	25%	0.254	S	S	*	.			trans	-73.6	54.8	-179.9	-61.9	-48	0	0	0	111.7	R463	R463-D570 IonicContact CZ-OD2 2.66Å; R463-D570 IonicContact NE-OD2 3.3Å; R463-D570 PolarHBondContact NE-OD2 3.37Å; R463-D570 IonicContact NH2-OD1 3.82Å; R463-D570 PolarHBondContact NH2-OD1 3.41Å; R463-D570 VanDerWaalsContact NH2-OD1 3.08Å; R463-D570 IonicContact NH2-OD2 3.66Å; R463-D570 PolarHBondContact NH2-OD2 3.33Å
571	L	80.3	Confident	84.1	Confident	60 Å²	60	47.5 Å²	47.5	31%	0.314	24%	0.24	S	C	.	.			trans	-83.8	137.9	-178.6	-71	163.9	0	0	0	110.4	C566 M569 E575 L576	C566-L571 HydrophobicContact CB-CD1 4.16Å; M569-L571 HydrophobicContact CB-CD1 3.8Å; M569-L571 HydrophobicContact CB-CG 3.92Å; M569-L571 HydrophobicContact CE-CD1 3.75Å; M569-L571 PolarHBondContact O-N 3.29Å; L571-E575 HydrophobicContact CB-CB 4.43Å; L571-E575 HydrophobicContact CD2-CB 3.97Å; L571-L576 HydrophobicContact CB-CB 4.48Å
572	A	80.4	Confident	84	Confident	49 Å²	49	52.4 Å²	52.4	41%	0.405	26%	0.255	S	S	.	.			trans	-64.5	150.8	165.6	0	0	0	0	0	109.7	T574 E575 L576	A572-T574 PolarHBondContact O-N 3.4Å; A572-T574 VanDerWaalsContact O-N 3.11Å; A572-E575 HydrophobicContact CB-CG 4.15Å; A572-E575 PolarHBondContact N-OE2 3.42Å; A572-E575 VanDerWaalsContact N-OE2 3.11Å; A572-E575 WeakPolarHBondContact O-CA 3.39Å; A572-E575 WeakPolarHBondContact O-CB 3.35Å; A572-E575 PolarHBondContact O-N 3.18Å; A572-L576 PolarHBondContact O-N 3.26Å
573	Y	75.5	Confident	83.9	Confident	128 Å²	128	52.7 Å²	52.7	50%	0.502	26%	0.258	S	S	.	.	H	α-helix	trans	-46.6	-46.1	178.7	170.1	-81.6	0	0	0	112.9	E575 L576 E577 L636	Y573-E575 VanDerWaalsContact C-N 3.3Å; Y573-E575 PolarHBondContact O-N 3.29Å; Y573-L576 PolarHBondContact O-N 2.97Å; Y573-E577 PolarHBondContact O-N 3.28Å; Y573-L636 HydrophobicContact CD2-CD2 4.19Å; Y573-L636 HydrophobicContact CD2-CG 4.02Å; Y573-L636 HydrophobicContact CE1-CD2 4.18Å; Y573-L636 HydrophobicContact CE2-CB 4.09Å; Y573-L636 HydrophobicContact CE2-CD1 4.47Å; Y573-L636 HydrophobicContact CE2-CD2 3.19Å; Y573-L636 HydrophobicContact CE2-CG 3.32Å; Y573-L636 WeakPolarHBondContact OH-CD2 3.4Å
574	T	80.9	Confident	84	Confident	84 Å²	84	51.4 Å²	51.4	52%	0.515	25%	0.252	S	S	.	.	H	α-helix	trans	-66.7	-32	-178.7	51	0	0	0	0	112.4	A572 D578	A572-T574 PolarHBondContact O-N 3.4Å; A572-T574 VanDerWaalsContact O-N 3.11Å; T574-D578 VanDerWaalsContact O-CB 3.23Å; T574-D578 WeakPolarHBondContact O-CB 3.3Å; T574-D578 VanDerWaalsContact O-CG 3.26Å; T574-D578 PolarHBondContact O-N 3.34Å
575	E	83.2	Confident	84.2	Confident	95 Å²	95	47.6 Å²	47.6	44%	0.444	24%	0.24	S	C	.	.	H	α-helix	trans	-76	-37.3	178.9	-61.9	175.6	155.3	0	0	111.6	L571 A572 Y573 T579	L571-E575 HydrophobicContact CB-CB 4.43Å; L571-E575 HydrophobicContact CD2-CB 3.97Å; A572-E575 HydrophobicContact CB-CG 4.15Å; A572-E575 PolarHBondContact N-OE2 3.42Å; A572-E575 VanDerWaalsContact N-OE2 3.11Å; A572-E575 WeakPolarHBondContact O-CA 3.39Å; A572-E575 WeakPolarHBondContact O-CB 3.35Å; A572-E575 PolarHBondContact O-N 3.18Å; Y573-E575 VanDerWaalsContact C-N 3.3Å; Y573-E575 PolarHBondContact O-N 3.29Å; E575-T579 WeakPolarHBondContact O-CB 3.34Å; E575-T579 PolarHBondContact O-N 2.85Å; E575-T579 PolarHBondContact O-OG1 2.85Å
576	L	82.9	Confident	84.3	Confident	21 Å²	21	52.4 Å²	52.4	11%	0.11	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-53.2	172.7	176.6	63.4	0	0	0	110.6	Y563 C566 L571 A572 Y573 D578 T579 I580	Y563-L576 HydrophobicContact CD2-CD2 4.22Å; Y563-L576 HydrophobicContact CE2-CD2 3.93Å; C566-L576 HydrophobicContact CB-CD1 3.29Å; L571-L576 HydrophobicContact CB-CB 4.48Å; A572-L576 PolarHBondContact O-N 3.26Å; Y573-L576 PolarHBondContact O-N 2.97Å; L576-D578 PolarHBondContact O-N 3.23Å; L576-T579 PolarHBondContact O-N 3.47Å; L576-T579 VanDerWaalsContact O-N 3.15Å; L576-I580 HydrophobicContact CD1-CD1 3.78Å; L576-I580 HydrophobicContact CD1-CG1 4.24Å; L576-I580 HydrophobicContact CG-CD1 3.99Å; L576-I580 WeakPolarHBondContact O-CG1 3.18Å; L576-I580 PolarHBondContact O-N 3.05Å
577	E	82.8	Confident	84.6	Confident	14 Å²	14	52 Å²	52	7%	0.065	26%	0.258	C	S	.	.	H	α-helix	trans	-55.6	-52.3	177.4	175.5	176	-170.5	0	0	110.9	Y573 T579 I580 N581 L631 P676	Y573-E577 PolarHBondContact O-N 3.28Å; E577-T579 PolarHBondContact O-N 3.01Å; E577-I580 PolarHBondContact O-N 3.29Å; E577-N581 VanDerWaalsContact CG-ND2 3.3Å; E577-N581 WeakPolarHBondContact CG-ND2 3.29Å; E577-N581 VanDerWaalsContact O-CB 3.3Å; E577-N581 WeakPolarHBondContact O-CB 3.23Å; E577-N581 PolarHBondContact O-N 3.2Å; E577-N581 PolarHBondContact O-ND2 3.01Å; E577-L631 HydrophobicContact CG-CD2 4.01Å; E577-P676 VanDerWaalsContact OE1-CB 3.26Å; E577-P676 WeakPolarHBondContact OE1-CB 3.39Å
578	D	85.1	Confident	85	Confident	41 Å²	41	48.1 Å²	48.1	22%	0.219	24%	0.24	C	C	.	.	H	α-helix	trans	-57.3	-38	178.5	-87.5	-14.2	0	0	0	112.3	T574 L576 R582 S678	T574-D578 VanDerWaalsContact O-CB 3.23Å; T574-D578 WeakPolarHBondContact O-CB 3.3Å; T574-D578 VanDerWaalsContact O-CG 3.26Å; T574-D578 PolarHBondContact O-N 3.34Å; L576-D578 PolarHBondContact O-N 3.23Å; D578-R582 VanDerWaalsContact O-CB 3.31Å; D578-R582 WeakPolarHBondContact O-CB 3.33Å; D578-R582 WeakPolarHBondContact O-CG 3.3Å; D578-R582 PolarHBondContact O-N 2.94Å; D578-R582 PolarHBondContact O-NE 3.46Å; D578-S678 WeakPolarHBondContact OD1-CB 3.37Å; D578-S678 PolarHBondContact OD1-OG 3.33Å
579	T	85.6	Confident	85.6	Confident	18 Å²	18	47.4 Å²	47.4	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-69.9	-45.9	-179.3	-64.3	0	0	0	0	111.7	E575 L576 E577 R582 A583	E575-T579 WeakPolarHBondContact O-CB 3.34Å; E575-T579 PolarHBondContact O-N 2.85Å; E575-T579 PolarHBondContact O-OG1 2.85Å; L576-T579 PolarHBondContact O-N 3.47Å; L576-T579 VanDerWaalsContact O-N 3.15Å; E577-T579 PolarHBondContact O-N 3.01Å; T579-R582 PolarHBondContact O-N 3.33Å; T579-R582 PolarHBondContact OG1-NH2 3.14Å; T579-R582 VanDerWaalsContact OG1-NH2 3.16Å; T579-A583 WeakPolarHBondContact O-CB 3.48Å; T579-A583 PolarHBondContact O-N 3.02Å
580	I	88.6	Confident	86.1	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-66.4	-42	177.2	-62.4	173.1	0	0	0	110.3	I559 C562 Y563 L576 E577 A583 T584 L631	I559-I580 HydrophobicContact CG2-CG2 3.79Å; C562-I580 HydrophobicContact CB-CG1 4.36Å; C562-I580 HydrophobicContact CB-CG2 4.41Å; Y563-I580 HydrophobicContact CD2-CD1 4.17Å; L576-I580 HydrophobicContact CD1-CD1 3.78Å; L576-I580 HydrophobicContact CD1-CG1 4.24Å; L576-I580 HydrophobicContact CG-CD1 3.99Å; L576-I580 WeakPolarHBondContact O-CG1 3.18Å; L576-I580 PolarHBondContact O-N 3.05Å; E577-I580 PolarHBondContact O-N 3.29Å; I580-A583 PolarHBondContact O-N 3.31Å; I580-T584 WeakPolarHBondContact O-CB 3.26Å; I580-T584 PolarHBondContact O-N 3.09Å; I580-T584 PolarHBondContact O-OG1 3.07Å; I580-L631 HydrophobicContact CB-CD1 4.21Å; I580-L631 HydrophobicContact CG2-CD1 3.47Å; I580-L631 VanDerWaalsContact CG2-CD1 3.47Å
581	N	88.6	Confident	86.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-44	176.6	-78.1	-27.9	0	0	0	111.7	E577 A583 T584 N585 L631 S678 L680	E577-N581 VanDerWaalsContact CG-ND2 3.3Å; E577-N581 WeakPolarHBondContact CG-ND2 3.29Å; E577-N581 VanDerWaalsContact O-CB 3.3Å; E577-N581 WeakPolarHBondContact O-CB 3.23Å; E577-N581 PolarHBondContact O-N 3.2Å; E577-N581 PolarHBondContact O-ND2 3.01Å; N581-A583 PolarHBondContact O-N 3.28Å; N581-T584 PolarHBondContact O-N 2.96Å; N581-N585 VanDerWaalsContact O-CB 3.26Å; N581-N585 WeakPolarHBondContact O-CB 3.32Å; N581-N585 VanDerWaalsContact O-CG 3.23Å; N581-N585 PolarHBondContact O-N 3.18Å; N581-N585 PolarHBondContact O-ND2 2.85Å; N581-L631 WeakPolarHBondContact OD1-CD1 3.32Å; N581-S678 WeakPolarHBondContact CB-O 3.47Å; N581-S678 PolarHBondContact ND2-O 3.26Å; N581-S678 PolarHBondContact ND2-OG 3.43Å; N581-L680 WeakPolarHBondContact OD1-CD2 3.31Å
582	R	88.4	Confident	87.6	Confident	146 Å²	146	43 Å²	43	55%	0.551	21%	0.214	S	C	*	.	H	α-helix	trans	-59.2	-46.7	173.8	-79.4	-176.2	-68	-106.7	1.4	112	D578 T579 T584 N585 F586	D578-R582 VanDerWaalsContact O-CB 3.31Å; D578-R582 WeakPolarHBondContact O-CB 3.33Å; D578-R582 WeakPolarHBondContact O-CG 3.3Å; D578-R582 PolarHBondContact O-N 2.94Å; D578-R582 PolarHBondContact O-NE 3.46Å; T579-R582 PolarHBondContact O-N 3.33Å; T579-R582 PolarHBondContact OG1-NH2 3.14Å; T579-R582 VanDerWaalsContact OG1-NH2 3.16Å; R582-T584 PolarHBondContact O-N 3.42Å; R582-N585 PolarHBondContact O-N 3.31Å; R582-F586 WeakPolarHBondContact O-CB 3.31Å; R582-F586 PolarHBondContact O-N 3.27Å
583	A	89.5	Confident	88.2	Confident	8 Å²	8	42.9 Å²	42.9	7%	0.066	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-39.7	179.3	0	0	0	0	0	112.3	Y558 T579 I580 N581 F586 L587	Y558-A583 HydrophobicContact CE1-CB 4.27Å; Y558-A583 PolarHBondContact OH-O 2.82Å; T579-A583 WeakPolarHBondContact O-CB 3.48Å; T579-A583 PolarHBondContact O-N 3.02Å; I580-A583 PolarHBondContact O-N 3.31Å; N581-A583 PolarHBondContact O-N 3.28Å; A583-F586 WeakPolarHBondContact O-CB 3.46Å; A583-F586 PolarHBondContact O-N 2.96Å; A583-L587 PolarHBondContact O-N 3.01Å
584	T	91.6	Very high	89	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-72.6	-39.4	179.8	-53.2	0	0	0	0	111.5	V555 I559 I580 N581 R582 F586 L587 F588 L680	V555-T584 HydrophobicContact CG1-CG2 4.23Å; I559-T584 HydrophobicContact CD1-CG2 4.37Å; I559-T584 HydrophobicContact CG1-CG2 4.28Å; I580-T584 WeakPolarHBondContact O-CB 3.26Å; I580-T584 PolarHBondContact O-N 3.09Å; I580-T584 PolarHBondContact O-OG1 3.07Å; N581-T584 PolarHBondContact O-N 2.96Å; R582-T584 PolarHBondContact O-N 3.42Å; T584-F586 VanDerWaalsContact C-N 3.31Å; T584-F586 PolarHBondContact O-N 2.54Å; T584-L587 WeakPolarHBondContact O-CB 3.38Å; T584-L587 PolarHBondContact O-N 3.42Å; T584-L587 VanDerWaalsContact O-N 3.15Å; T584-F588 HydrophobicContact CG2-CD2 4.3Å; T584-F588 HydrophobicContact CG2-CE1 4.43Å; T584-F588 HydrophobicContact CG2-CE2 3.75Å; T584-F588 HydrophobicContact CG2-CZ 3.82Å; T584-F588 WeakPolarHBondContact O-CG 3.44Å; T584-F588 PolarHBondContact O-N 2.89Å; T584-L680 HydrophobicContact CG2-CD2 3.62Å
585	N	91.1	Very high	89.7	Confident	22 Å²	22	35.9 Å²	35.9	12%	0.118	18%	0.177	C	C	.	.	H	α-helix	trans	-65.5	-34.7	173.4	-74.5	-30.2	0	0	0	112.2	N581 R582 F588 S589 R679 L680 Q681	N581-N585 VanDerWaalsContact O-CB 3.26Å; N581-N585 WeakPolarHBondContact O-CB 3.32Å; N581-N585 VanDerWaalsContact O-CG 3.23Å; N581-N585 PolarHBondContact O-N 3.18Å; N581-N585 PolarHBondContact O-ND2 2.85Å; R582-N585 PolarHBondContact O-N 3.31Å; N585-F588 PolarHBondContact O-N 3.5Å; N585-S589 WeakPolarHBondContact O-CB 3.33Å; N585-S589 PolarHBondContact O-N 2.82Å; N585-S589 PolarHBondContact O-OG 2.66Å; N585-R679 PolarHBondContact ND2-O 2.97Å; N585-L680 WeakPolarHBondContact OD1-CA 3.35Å; N585-Q681 PolarHBondContact OD1-N 2.84Å
586	F	91.1	Very high	90.2	Very high	101 Å²	101	31.4 Å²	31.4	44%	0.443	16%	0.157	S	C	.	.	H	α-helix	trans	-63	-44.5	170	-177.4	-89.8	0	0	0	111.4	A491 R582 A583 T584 F588 S589 Q590	A491-F586 HydrophobicContact CB-CD1 4.37Å; A491-F586 HydrophobicContact CB-CE1 3.96Å; R582-F586 WeakPolarHBondContact O-CB 3.31Å; R582-F586 PolarHBondContact O-N 3.27Å; A583-F586 WeakPolarHBondContact O-CB 3.46Å; A583-F586 PolarHBondContact O-N 2.96Å; T584-F586 VanDerWaalsContact C-N 3.31Å; T584-F586 PolarHBondContact O-N 2.54Å; F586-F588 VanDerWaalsContact C-N 3.33Å; F586-F588 PolarHBondContact O-N 3.46Å; F586-S589 PolarHBondContact O-N 3.35Å; F586-S589 PolarHBondContact O-OG 3.2Å; F586-Q590 HydrophobicContact CD1-CG 4.49Å; F586-Q590 HydrophobicContact CD2-CG 3.87Å; F586-Q590 HydrophobicContact CE1-CB 4.22Å; F586-Q590 HydrophobicContact CE1-CG 4.26Å; F586-Q590 HydrophobicContact CE2-CB 4.44Å; F586-Q590 HydrophobicContact CE2-CG 3.61Å; F586-Q590 HydrophobicContact CG-CG 4.32Å; F586-Q590 HydrophobicContact CZ-CB 4.17Å; F586-Q590 HydrophobicContact CZ-CG 3.81Å; F586-Q590 WeakPolarHBondContact O-CB 3.49Å; F586-Q590 PolarHBondContact O-N 3.09Å
587	L	93.4	Very high	90.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	I	π-helix	trans	-58.2	-45.8	175	-175.6	73.9	0	0	0	111.5	W494 F498 V555 Y558 A583 T584 C591 L592	W494-L587 HydrophobicContact CB-CD1 3.68Å; W494-L587 HydrophobicContact CG-CD1 4.3Å; F498-L587 HydrophobicContact CE2-CD1 3.95Å; F498-L587 HydrophobicContact CE2-CD2 4.09Å; F498-L587 HydrophobicContact CE2-CG 3.97Å; F498-L587 HydrophobicContact CZ-CD2 4.04Å; F498-L587 HydrophobicContact CZ-CG 4.41Å; V555-L587 HydrophobicContact CG2-CD2 4.47Å; Y558-L587 HydrophobicContact CD1-CD2 3.76Å; Y558-L587 HydrophobicContact CD2-CD1 4.23Å; Y558-L587 HydrophobicContact CD2-CD2 3.98Å; Y558-L587 HydrophobicContact CE1-CB 4.08Å; Y558-L587 HydrophobicContact CE1-CD2 4.13Å; Y558-L587 HydrophobicContact CE2-CD1 4.02Å; Y558-L587 HydrophobicContact CE2-CD2 4.34Å; Y558-L587 HydrophobicContact CG-CD2 3.67Å; A583-L587 PolarHBondContact O-N 3.01Å; T584-L587 WeakPolarHBondContact O-CB 3.38Å; T584-L587 PolarHBondContact O-N 3.42Å; T584-L587 VanDerWaalsContact O-N 3.15Å; L587-C591 HydrophobicContact CD1-CB 3.96Å; L587-C591 WeakPolarHBondContact O-CA 3.42Å; L587-C591 VanDerWaalsContact O-CB 3.23Å; L587-C591 WeakPolarHBondContact O-CB 3.4Å; L587-C591 PolarHBondContact O-N 3.48Å; L587-L592 PolarHBondContact O-N 2.89Å
588	F	92.6	Very high	91.2	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.022	17%	0.172	C	C	.	.	I	π-helix	trans	-61.6	-55.3	177.4	-68.3	-31.5	0	0	0	112	V555 T584 N585 F586 L592 N593 L627 L680 L685	V555-F588 HydrophobicContact CG1-CE1 3.91Å; V555-F588 HydrophobicContact CG1-CZ 4Å; V555-F588 HydrophobicContact CG2-CE1 4Å; T584-F588 HydrophobicContact CG2-CD2 4.3Å; T584-F588 HydrophobicContact CG2-CE1 4.43Å; T584-F588 HydrophobicContact CG2-CE2 3.75Å; T584-F588 HydrophobicContact CG2-CZ 3.82Å; T584-F588 WeakPolarHBondContact O-CG 3.44Å; T584-F588 PolarHBondContact O-N 2.89Å; N585-F588 PolarHBondContact O-N 3.5Å; F586-F588 VanDerWaalsContact C-N 3.33Å; F586-F588 PolarHBondContact O-N 3.46Å; F588-L592 HydrophobicContact CD1-CB 4.41Å; F588-L592 HydrophobicContact CD1-CD2 3.68Å; F588-L592 HydrophobicContact CE1-CD2 4.07Å; F588-L592 PolarHBondContact O-N 2.81Å; F588-N593 WeakPolarHBondContact O-CB 3.44Å; F588-N593 PolarHBondContact O-N 3.31Å; F588-L627 HydrophobicContact CZ-CD1 4.21Å; F588-L680 HydrophobicContact CE2-CB 4.22Å; F588-L680 HydrophobicContact CE2-CD1 4.37Å; F588-L680 HydrophobicContact CE2-CD2 4.2Å; F588-L685 VanDerWaalsContact C-CD2 3.49Å; F588-L685 HydrophobicContact CB-CD2 3.93Å; F588-L685 WeakPolarHBondContact O-CD2 3.31Å
589	S	90.1	Very high	91.5	Very high	47 Å²	47	31.4 Å²	31.4	33%	0.329	16%	0.162	S	C	.	.	I	π-helix	trans	-68.8	-38.3	-173.2	56.7	0	0	0	0	114	N585 F586 N593	N585-S589 WeakPolarHBondContact O-CB 3.33Å; N585-S589 PolarHBondContact O-N 2.82Å; N585-S589 PolarHBondContact O-OG 2.66Å; F586-S589 PolarHBondContact O-N 3.35Å; F586-S589 PolarHBondContact O-OG 3.2Å; S589-N593 WeakPolarHBondContact O-CB 3.36Å
590	Q	89.9	Confident	91.7	Very high	109 Å²	109	30.6 Å²	30.6	51%	0.509	16%	0.157	S	C	.	.	I	π-helix	trans	-97.2	-34.3	-173.8	-61.8	-60.5	-39.9	0	0	113.3	F586 T594	F586-Q590 HydrophobicContact CD1-CG 4.49Å; F586-Q590 HydrophobicContact CD2-CG 3.87Å; F586-Q590 HydrophobicContact CE1-CB 4.22Å; F586-Q590 HydrophobicContact CE1-CG 4.26Å; F586-Q590 HydrophobicContact CE2-CB 4.44Å; F586-Q590 HydrophobicContact CE2-CG 3.61Å; F586-Q590 HydrophobicContact CG-CG 4.32Å; F586-Q590 HydrophobicContact CZ-CB 4.17Å; F586-Q590 HydrophobicContact CZ-CG 3.81Å; F586-Q590 WeakPolarHBondContact O-CB 3.49Å; F586-Q590 PolarHBondContact O-N 3.09Å; Q590-T594 WeakPolarHBondContact O-CB 3.47Å; Q590-T594 PolarHBondContact O-OG1 3.31Å
591	C	94.1	Very high	91.8	Very high	7 Å²	7	38.3 Å²	38.3	5%	0.047	19%	0.187	C	C	.	.	I	π-helix	trans	-101.5	-64.9	-176.3	-54.6	0	0	0	0	110.9	A491 K495 F498 L587 N593 T594 V595	A491-C591 PolarHBondContact O-SG 3.48Å; K495-C591 HydrophobicContact CB-CB 4.14Å; F498-C591 HydrophobicContact CD2-CB 4.34Å; F498-C591 HydrophobicContact CE2-CB 4.45Å; L587-C591 HydrophobicContact CD1-CB 3.96Å; L587-C591 WeakPolarHBondContact O-CA 3.42Å; L587-C591 VanDerWaalsContact O-CB 3.23Å; L587-C591 WeakPolarHBondContact O-CB 3.4Å; L587-C591 PolarHBondContact O-N 3.48Å; C591-N593 PolarHBondContact O-N 3.22Å; C591-T594 PolarHBondContact O-N 3.1Å; C591-V595 WeakPolarHBondContact O-CB 3.45Å; C591-V595 VanDerWaalsContact O-CG2 3.26Å; C591-V595 WeakPolarHBondContact O-CG2 3.49Å; C591-V595 PolarHBondContact O-N 2.84Å
592	L	93.8	Very high	91.8	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.026	21%	0.211	C	C	.	.	I	π-helix	trans	-61.8	-43.2	-173.3	-173.9	61.2	0	0	0	111.7	F498 I551 L587 F588 T594 V595 L596	F498-L592 HydrophobicContact CD1-CD1 4.27Å; F498-L592 HydrophobicContact CD2-CD1 4.37Å; F498-L592 HydrophobicContact CE1-CD1 4.37Å; F498-L592 HydrophobicContact CE2-CB 4.32Å; F498-L592 HydrophobicContact CE2-CD1 4.45Å; F498-L592 HydrophobicContact CG-CD1 4.29Å; F498-L592 HydrophobicContact CZ-CD1 4.46Å; I551-L592 HydrophobicContact CD1-CD1 4.08Å; I551-L592 HydrophobicContact CG2-CD1 4.35Å; I551-L592 HydrophobicContact CG2-CD2 4.41Å; L587-L592 PolarHBondContact O-N 2.89Å; F588-L592 HydrophobicContact CD1-CB 4.41Å; F588-L592 HydrophobicContact CD1-CD2 3.68Å; F588-L592 HydrophobicContact CE1-CD2 4.07Å; F588-L592 PolarHBondContact O-N 2.81Å; L592-T594 PolarHBondContact O-N 3.43Å; L592-V595 PolarHBondContact O-N 2.89Å; L592-L596 HydrophobicContact CD1-CD1 3.8Å; L592-L596 HydrophobicContact CD1-CD2 4.41Å; L592-L596 HydrophobicContact CD1-CG 3.83Å; L592-L596 HydrophobicContact CD2-CD1 4.25Å; L592-L596 HydrophobicContact CG-CD1 3.65Å; L592-L596 HydrophobicContact CG-CG 4.1Å; L592-L596 WeakPolarHBondContact O-CB 3.28Å; L592-L596 VanDerWaalsContact O-CG 3.32Å; L592-L596 WeakPolarHBondContact O-CG 3.33Å; L592-L596 PolarHBondContact O-N 3.44Å
593	N	93.5	Very high	91.7	Very high	47 Å²	47	34.8 Å²	34.8	25%	0.251	18%	0.184	S	C	.	.	H	α-helix	trans	-55.8	-51.2	176	-173.1	21.9	0	0	0	112.3	F588 S589 C591 V595 T597 L685 I689	F588-N593 WeakPolarHBondContact O-CB 3.44Å; F588-N593 PolarHBondContact O-N 3.31Å; S589-N593 WeakPolarHBondContact O-CB 3.36Å; C591-N593 PolarHBondContact O-N 3.22Å; N593-V595 VanDerWaalsContact C-N 3.28Å; N593-V595 PolarHBondContact O-N 3.34Å; N593-T597 WeakPolarHBondContact O-CB 3.44Å; N593-T597 PolarHBondContact O-N 3.04Å; N593-T597 PolarHBondContact O-OG1 3.17Å; N593-T597 PolarHBondContact OD1-OG1 2.97Å; N593-L685 HydrophobicContact CB-CD1 3.86Å; N593-L685 HydrophobicContact CB-CD2 3.84Å; N593-L685 HydrophobicContact CB-CG 4.19Å; N593-I689 WeakPolarHBondContact OD1-CD1 3.45Å
594	T	93.4	Very high	91.5	Very high	64 Å²	64	37.6 Å²	37.6	39%	0.393	20%	0.198	S	C	.	.	H	α-helix	trans	-60.8	-42.9	-177.1	-58.1	0	0	0	0	110.5	Q590 C591 L592 S598	Q590-T594 WeakPolarHBondContact O-CB 3.47Å; Q590-T594 PolarHBondContact O-OG1 3.31Å; C591-T594 PolarHBondContact O-N 3.1Å; L592-T594 PolarHBondContact O-N 3.43Å; T594-S598 WeakPolarHBondContact O-CB 3.41Å; T594-S598 PolarHBondContact O-N 3.27Å; T594-S598 PolarHBondContact O-OG 3.45Å
595	V	94.9	Very high	91.1	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-75.3	-42.1	-176.5	175.5	0	0	0	0	111.9	K495 F498 E499 I502 C591 L592 N593 S598 G599	K495-V595 HydrophobicContact CG-CG2 3.97Å; F498-V595 HydrophobicContact CB-CB 4.26Å; F498-V595 HydrophobicContact CB-CG1 3.76Å; F498-V595 HydrophobicContact CB-CG2 4.33Å; E499-V595 HydrophobicContact CG-CB 4.48Å; E499-V595 HydrophobicContact CG-CG1 3.99Å; E499-V595 HydrophobicContact CG-CG2 3.66Å; I502-V595 HydrophobicContact CD1-CB 4.47Å; I502-V595 HydrophobicContact CD1-CG1 3.44Å; I502-V595 VanDerWaalsContact CD1-CG1 3.44Å; I502-V595 WeakPolarHBondContact CD1-O 3.39Å; I502-V595 HydrophobicContact CG1-CG1 4.13Å; C591-V595 WeakPolarHBondContact O-CB 3.45Å; C591-V595 VanDerWaalsContact O-CG2 3.26Å; C591-V595 WeakPolarHBondContact O-CG2 3.49Å; C591-V595 PolarHBondContact O-N 2.84Å; L592-V595 PolarHBondContact O-N 2.89Å; N593-V595 VanDerWaalsContact C-N 3.28Å; N593-V595 PolarHBondContact O-N 3.34Å; V595-S598 PolarHBondContact O-N 2.9Å; V595-S598 PolarHBondContact O-OG 2.99Å; V595-G599 PolarHBondContact O-N 3.19Å
596	L	94.3	Very high	90.9	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-44.5	173.9	-70.8	176	0	0	0	111.3	I502 I551 L592 S598 G599 V600 F613 L617 L620 L686 I689	I502-L596 HydrophobicContact CD1-CD2 3.88Å; I551-L596 HydrophobicContact CD1-CD2 4.26Å; L592-L596 HydrophobicContact CD1-CD1 3.8Å; L592-L596 HydrophobicContact CD1-CD2 4.41Å; L592-L596 HydrophobicContact CD1-CG 3.83Å; L592-L596 HydrophobicContact CD2-CD1 4.25Å; L592-L596 HydrophobicContact CG-CD1 3.65Å; L592-L596 HydrophobicContact CG-CG 4.1Å; L592-L596 WeakPolarHBondContact O-CB 3.28Å; L592-L596 VanDerWaalsContact O-CG 3.32Å; L592-L596 WeakPolarHBondContact O-CG 3.33Å; L592-L596 PolarHBondContact O-N 3.44Å; L596-S598 VanDerWaalsContact C-N 3.33Å; L596-S598 PolarHBondContact O-N 3.43Å; L596-G599 CarbonylContact O-C 3.4Å; L596-G599 WeakPolarHBondContact O-CA 3.24Å; L596-G599 PolarHBondContact O-N 3.28Å; L596-G599 VanDerWaalsContact O-N 3.1Å; L596-V600 WeakPolarHBondContact O-CG2 3.26Å; L596-V600 PolarHBondContact O-N 3.15Å; L596-F613 HydrophobicContact CB-CZ 4.44Å; L596-F613 HydrophobicContact CD2-CE1 4.03Å; L596-F613 HydrophobicContact CD2-CZ 3.77Å; L596-L617 HydrophobicContact CD1-CD2 4.05Å; L596-L620 HydrophobicContact CD1-CD1 4.47Å; L596-L620 HydrophobicContact CD2-CD1 4.49Å; L596-L686 HydrophobicContact CD1-CD2 3.47Å; L596-L686 VanDerWaalsContact CD1-CD2 3.47Å; L596-I689 HydrophobicContact CB-CD1 3.94Å; L596-I689 HydrophobicContact CD1-CD1 4.06Å
597	T	93.5	Very high	90.8	Very high	17 Å²	17	48.3 Å²	48.3	10%	0.104	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-39.4	178.1	-61.8	0	0	0	0	111.6	N593 V600 R601 L692	N593-T597 WeakPolarHBondContact O-CB 3.44Å; N593-T597 PolarHBondContact O-N 3.04Å; N593-T597 PolarHBondContact O-OG1 3.17Å; N593-T597 PolarHBondContact OD1-OG1 2.97Å; T597-V600 PolarHBondContact O-N 2.93Å; T597-R601 VanDerWaalsContact O-CG 3.31Å; T597-R601 WeakPolarHBondContact O-CG 3.19Å; T597-R601 PolarHBondContact O-N 3.44Å; T597-L692 HydrophobicContact CG2-CD2 4.23Å
598	S	92.4	Very high	90.6	Very high	56 Å²	56	53.1 Å²	53.1	39%	0.392	27%	0.27	S	S	.	.	H	α-helix	trans	-66.9	-38.9	173.2	70.2	0	0	0	0	111.7	T594 V595 L596 R601 S602	T594-S598 WeakPolarHBondContact O-CB 3.41Å; T594-S598 PolarHBondContact O-N 3.27Å; T594-S598 PolarHBondContact O-OG 3.45Å; V595-S598 PolarHBondContact O-N 2.9Å; V595-S598 PolarHBondContact O-OG 2.99Å; L596-S598 VanDerWaalsContact C-N 3.33Å; L596-S598 PolarHBondContact O-N 3.43Å; S598-R601 PolarHBondContact O-N 3.45Å; S598-S602 PolarHBondContact O-N 2.71Å
599	G	91.2	Very high	90.4	Very high	2 Å²	2	55.4 Å²	55.4	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-46.7	172.1	0	0	0	0	0	113	V595 L596 S602 S603	V595-G599 PolarHBondContact O-N 3.19Å; L596-G599 CarbonylContact O-C 3.4Å; L596-G599 WeakPolarHBondContact O-CA 3.24Å; L596-G599 PolarHBondContact O-N 3.28Å; L596-G599 VanDerWaalsContact O-N 3.1Å; G599-S602 PolarHBondContact O-N 2.91Å; G599-S602 PolarHBondContact O-OG 3.19Å; G599-S603 PolarHBondContact O-N 2.75Å; G599-S603 VanDerWaalsContact O-N 3.13Å; G599-S603 PolarHBondContact O-OG 3.13Å
600	V	90.5	Very high	90.5	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-47.7	174.5	172.9	0	0	0	0	110.8	L596 T597 S602 S603 L604 L610 F613 I689 L692 V693	L596-V600 WeakPolarHBondContact O-CG2 3.26Å; L596-V600 PolarHBondContact O-N 3.15Å; T597-V600 PolarHBondContact O-N 2.93Å; V600-S602 VanDerWaalsContact C-N 3.28Å; V600-S602 PolarHBondContact O-N 3.24Å; V600-S603 PolarHBondContact O-N 3.37Å; V600-L604 PolarHBondContact O-N 3.37Å; V600-L610 HydrophobicContact CG1-CD2 4.37Å; V600-F613 HydrophobicContact CG2-CD1 3.73Å; V600-F613 HydrophobicContact CG2-CE1 3.48Å; V600-F613 VanDerWaalsContact CG2-CE1 3.48Å; V600-F613 HydrophobicContact CG2-CG 4.4Å; V600-F613 HydrophobicContact CG2-CZ 3.97Å; V600-I689 HydrophobicContact CG2-CG2 4Å; V600-L692 HydrophobicContact CG1-CD2 4.37Å; V600-L692 HydrophobicContact CG1-CG 4.46Å; V600-V693 HydrophobicContact CB-CG2 4.17Å; V600-V693 HydrophobicContact CG1-CG2 3.65Å; V600-V693 HydrophobicContact CG2-CG2 3.35Å
601	R	89.8	Confident	90.5	Very high	165 Å²	165	48.9 Å²	48.9	62%	0.623	24%	0.243	S	C	*	.	H	α-helix	trans	-60	-37.3	177.8	-73.1	174.1	-175.8	150.4	3.1	112.5	T597 S598 S603 L604	T597-R601 VanDerWaalsContact O-CG 3.31Å; T597-R601 WeakPolarHBondContact O-CG 3.19Å; T597-R601 PolarHBondContact O-N 3.44Å; S598-R601 PolarHBondContact O-N 3.45Å; R601-S603 VanDerWaalsContact C-N 3.25Å; R601-S603 PolarHBondContact O-N 3.46Å; R601-L604 HydrophobicContact CB-CD1 4.45Å; R601-L604 VanDerWaalsContact O-CD1 3.25Å; R601-L604 WeakPolarHBondContact O-CD1 3.35Å; R601-L604 WeakPolarHBondContact O-CG 3.22Å
602	S	88.8	Confident	90.3	Very high	72 Å²	72	49.4 Å²	49.4	50%	0.503	25%	0.245	S	C	.	.	H	α-helix	trans	-69.7	-24.6	176	77.5	0	0	0	0	113.1	S598 G599 V600	S598-S602 PolarHBondContact O-N 2.71Å; G599-S602 PolarHBondContact O-N 2.91Å; G599-S602 PolarHBondContact O-OG 3.19Å; V600-S602 VanDerWaalsContact C-N 3.28Å; V600-S602 PolarHBondContact O-N 3.24Å
603	S	86.7	Confident	90.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-89	-3.3	-176.9	-55.5	0	0	0	0	113.8	G599 V600 R601 R605 Q606 R609 L610	G599-S603 PolarHBondContact O-N 2.75Å; G599-S603 VanDerWaalsContact O-N 3.13Å; G599-S603 PolarHBondContact O-OG 3.13Å; V600-S603 PolarHBondContact O-N 3.37Å; R601-S603 VanDerWaalsContact C-N 3.25Å; R601-S603 PolarHBondContact O-N 3.46Å; S603-R605 PolarHBondContact O-N 2.8Å; S603-Q606 PolarHBondContact O-N 3.43Å; S603-R609 VanDerWaalsContact OG-CD 3.31Å; S603-R609 WeakPolarHBondContact OG-CD 3.23Å; S603-R609 PolarHBondContact OG-NE 3.22Å; S603-R609 VanDerWaalsContact OG-NE 3.09Å; S603-L610 WeakPolarHBondContact O-CG 3.39Å
604	L	83.9	Confident	90.1	Very high	66 Å²	66	47.1 Å²	47.1	35%	0.346	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.2	-171	-73.6	172.4	0	0	0	115.6	V600 R601 Q696	V600-L604 PolarHBondContact O-N 3.37Å; R601-L604 HydrophobicContact CB-CD1 4.45Å; R601-L604 VanDerWaalsContact O-CD1 3.25Å; R601-L604 WeakPolarHBondContact O-CD1 3.35Å; R601-L604 WeakPolarHBondContact O-CG 3.22Å; L604-Q696 HydrophobicContact CD2-CB 3.89Å; L604-Q696 HydrophobicContact CD2-CG 3.45Å; L604-Q696 VanDerWaalsContact CD2-CG 3.45Å
605	R	83.9	Confident	90	Very high	232 Å²	232	44.9 Å²	44.9	88%	0.875	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-4.9	-178.6	-62.5	-172.4	-177.9	-123.1	1.3	114.1	S603	S603-R605 PolarHBondContact O-N 2.8Å
606	Q	88	Confident	89.9	Confident	102 Å²	102	44.9 Å²	44.9	48%	0.477	22%	0.218	S	C	.	.			trans	-123.5	90.3	-171	-67.7	176.7	-18	0	0	109.5	S603 R609 L610	S603-Q606 PolarHBondContact O-N 3.43Å; Q606-R609 HydrophobicContact CB-CB 3.83Å; Q606-R609 WeakPolarHBondContact O-CB 3.3Å; Q606-R609 PolarHBondContact O-N 3.15Å; Q606-L610 PolarHBondContact O-N 3.38Å
607	L	88.8	Confident	89.9	Confident	15 Å²	15	44.8 Å²	44.8	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-52.7	-45.9	-178.4	-179.2	63	0	0	0	114	R609 L610 M611 I697 L701 V766	L607-R609 PolarHBondContact O-N 3.4Å; L607-L610 PolarHBondContact O-N 3.4Å; L607-L610 VanDerWaalsContact O-N 3.14Å; L607-M611 HydrophobicContact CD1-CG 4.16Å; L607-M611 HydrophobicContact CD1-SD 4.35Å; L607-M611 HydrophobicContact CG-CG 4.33Å; L607-M611 HydrophobicContact CG-SD 3.96Å; L607-M611 VanDerWaalsContact O-CG 3.29Å; L607-M611 WeakPolarHBondContact O-CG 3.35Å; L607-M611 PolarHBondContact O-N 3.5Å; L607-I697 HydrophobicContact CD1-CG1 4.37Å; L607-I697 HydrophobicContact CD1-CG2 4.11Å; L607-L701 HydrophobicContact CD2-CD2 3.86Å; L607-V766 HydrophobicContact CD2-CG1 3.86Å
608	P	88.2	Confident	89.7	Confident	101 Å²	101	46.8 Å²	46.8	66%	0.656	23%	0.228	S	C	*	.	H	α-helix	trans	-59.2	-37.1	178.6	-23.9	34.8	0	0	0	112.6	M611 Q612	P608-M611 PolarHBondContact O-N 3.25Å; P608-Q612 PolarHBondContact O-N 2.99Å
609	R	89.8	Confident	89.6	Confident	53 Å²	53	46.2 Å²	46.2	20%	0.2	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-43.9	177.1	-170.1	174.8	178.4	-178.3	0.8	111.4	Y507 S603 Q606 L607 M611 Q612 F613	Y507-R609 HydrophobicContact CD1-CG 3.78Å; Y507-R609 HydrophobicContact CD2-CG 3.91Å; Y507-R609 HydrophobicContact CE1-CG 4.08Å; Y507-R609 HydrophobicContact CE2-CG 4.22Å; Y507-R609 HydrophobicContact CG-CG 3.69Å; Y507-R609 VanDerWaalsContact CZ-NH2 3.28Å; Y507-R609 PolarHBondContact OH-NE 2.92Å; Y507-R609 PolarHBondContact OH-NH2 3.32Å; S603-R609 VanDerWaalsContact OG-CD 3.31Å; S603-R609 WeakPolarHBondContact OG-CD 3.23Å; S603-R609 PolarHBondContact OG-NE 3.22Å; S603-R609 VanDerWaalsContact OG-NE 3.09Å; Q606-R609 HydrophobicContact CB-CB 3.83Å; Q606-R609 WeakPolarHBondContact O-CB 3.3Å; Q606-R609 PolarHBondContact O-N 3.15Å; L607-R609 PolarHBondContact O-N 3.4Å; R609-M611 VanDerWaalsContact C-N 3.33Å; R609-M611 PolarHBondContact O-N 2.97Å; R609-Q612 PolarHBondContact O-N 2.96Å; R609-F613 VanDerWaalsContact O-CB 3.31Å; R609-F613 WeakPolarHBondContact O-CB 3.49Å; R609-F613 PolarHBondContact O-N 3.34Å
610	L	90.4	Very high	89.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-41	174.9	-72.7	171.8	0	0	0	112.2	V600 S603 Q606 L607 F613 C614 V693 Q696 I697	V600-L610 HydrophobicContact CG1-CD2 4.37Å; S603-L610 WeakPolarHBondContact O-CG 3.39Å; Q606-L610 PolarHBondContact O-N 3.38Å; L607-L610 PolarHBondContact O-N 3.4Å; L607-L610 VanDerWaalsContact O-N 3.14Å; L610-F613 WeakPolarHBondContact O-CB 3.21Å; L610-F613 PolarHBondContact O-N 3.49Å; L610-C614 WeakPolarHBondContact O-CB 3.18Å; L610-C614 PolarHBondContact O-N 3.39Å; L610-V693 WeakPolarHBondContact O-CG1 3.27Å; L610-Q696 HydrophobicContact CD1-CB 4.35Å; L610-I697 HydrophobicContact CB-CG1 3.98Å
611	M	89.7	Confident	89.7	Confident	19 Å²	19	48 Å²	48	9%	0.094	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-48.1	177.2	-66.3	169.4	52.3	0	0	111.2	L607 P608 R609 F613 C614 I615 S769 F770 L773	L607-M611 HydrophobicContact CD1-CG 4.16Å; L607-M611 HydrophobicContact CD1-SD 4.35Å; L607-M611 HydrophobicContact CG-CG 4.33Å; L607-M611 HydrophobicContact CG-SD 3.96Å; L607-M611 VanDerWaalsContact O-CG 3.29Å; L607-M611 WeakPolarHBondContact O-CG 3.35Å; L607-M611 PolarHBondContact O-N 3.5Å; P608-M611 PolarHBondContact O-N 3.25Å; R609-M611 VanDerWaalsContact C-N 3.33Å; R609-M611 PolarHBondContact O-N 2.97Å; M611-F613 VanDerWaalsContact C-N 3.29Å; M611-F613 PolarHBondContact O-N 3.17Å; M611-C614 WeakPolarHBondContact O-CB 3.47Å; M611-C614 PolarHBondContact O-N 3.32Å; M611-I615 WeakPolarHBondContact O-CG1 3.43Å; M611-I615 PolarHBondContact O-N 3.05Å; M611-I615 VanDerWaalsContact O-N 3.09Å; M611-S769 WeakPolarHBondContact CE-O 3.47Å; M611-F770 HydrophobicContact CE-CD1 3.36Å; M611-F770 HydrophobicContact CE-CE1 3.65Å; M611-F770 HydrophobicContact CE-CG 4.48Å; M611-F770 HydrophobicContact CG-CE1 4.26Å; M611-F770 HydrophobicContact SD-CD1 3.93Å; M611-F770 HydrophobicContact SD-CE1 3.52Å; M611-F770 VanDerWaalsContact SD-CE1 3.52Å; M611-L773 HydrophobicContact CB-CD1 4.3Å; M611-L773 HydrophobicContact CE-CD1 3.84Å; M611-L773 HydrophobicContact CG-CD1 4.03Å
612	Q	91.4	Very high	89.7	Confident	18 Å²	18	43 Å²	43	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-38.9	176.1	-171	61.9	57	0	0	111.6	Y507 C543 P608 R609 C614 I615 N616	Y507-Q612 WeakPolarHBondContact O-CG 3.23Å; C543-Q612 PolarHBondContact O-NE2 2.81Å; P608-Q612 PolarHBondContact O-N 2.99Å; R609-Q612 PolarHBondContact O-N 2.96Å; Q612-C614 VanDerWaalsContact C-N 3.3Å; Q612-C614 PolarHBondContact O-N 3.45Å; Q612-I615 PolarHBondContact O-N 3.23Å; Q612-N616 PolarHBondContact NE2-OD1 3.26Å; Q612-N616 WeakPolarHBondContact O-CB 3.34Å; Q612-N616 PolarHBondContact O-N 3.21Å; Q612-N616 PolarHBondContact O-OD1 3.36Å
613	F	91.9	Very high	89.7	Confident	3 Å²	3	39.7 Å²	39.7	1%	0.013	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-40	175.7	-148.7	-72.8	0	0	0	111.5	Y507 L596 V600 R609 L610 M611 N616 L617 V693	Y507-F613 HydrophobicContact CD1-CD2 4.49Å; Y507-F613 AromaticContact CE1-CD2 3.78Å; Y507-F613 HydrophobicContact CE1-CD2 3.78Å; Y507-F613 HydrophobicContact CE1-CE2 4.19Å; L596-F613 HydrophobicContact CB-CZ 4.44Å; L596-F613 HydrophobicContact CD2-CE1 4.03Å; L596-F613 HydrophobicContact CD2-CZ 3.77Å; V600-F613 HydrophobicContact CG2-CD1 3.73Å; V600-F613 HydrophobicContact CG2-CE1 3.48Å; V600-F613 VanDerWaalsContact CG2-CE1 3.48Å; V600-F613 HydrophobicContact CG2-CG 4.4Å; V600-F613 HydrophobicContact CG2-CZ 3.97Å; R609-F613 VanDerWaalsContact O-CB 3.31Å; R609-F613 WeakPolarHBondContact O-CB 3.49Å; R609-F613 PolarHBondContact O-N 3.34Å; L610-F613 WeakPolarHBondContact O-CB 3.21Å; L610-F613 PolarHBondContact O-N 3.49Å; M611-F613 VanDerWaalsContact C-N 3.29Å; M611-F613 PolarHBondContact O-N 3.17Å; F613-N616 PolarHBondContact O-N 2.82Å; F613-L617 HydrophobicContact CD1-CD1 3.74Å; F613-L617 HydrophobicContact CD1-CG 3.89Å; F613-L617 HydrophobicContact CE1-CD1 4.04Å; F613-L617 HydrophobicContact CE1-CD2 4.18Å; F613-L617 HydrophobicContact CE1-CG 4.06Å; F613-L617 VanDerWaalsContact O-CG 3.3Å; F613-L617 WeakPolarHBondContact O-CG 3.39Å; F613-L617 PolarHBondContact O-N 3.07Å; F613-V693 HydrophobicContact CD1-CG2 4.35Å
614	C	91.6	Very high	89.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.1	-45.1	175.9	-171	0	0	0	0	111.8	L610 M611 Q612 N616 L617 D618 V693 I697 L773	L610-C614 WeakPolarHBondContact O-CB 3.18Å; L610-C614 PolarHBondContact O-N 3.39Å; M611-C614 WeakPolarHBondContact O-CB 3.47Å; M611-C614 PolarHBondContact O-N 3.32Å; Q612-C614 VanDerWaalsContact C-N 3.3Å; Q612-C614 PolarHBondContact O-N 3.45Å; C614-N616 VanDerWaalsContact C-N 3.35Å; C614-L617 PolarHBondContact O-N 3.42Å; C614-D618 PolarHBondContact O-N 2.95Å; C614-D618 VanDerWaalsContact O-N 3.07Å; C614-V693 HydrophobicContact CB-CG1 3.75Å; C614-I697 HydrophobicContact CB-CD1 4.1Å; C614-L773 HydrophobicContact CB-CD2 3.92Å
615	I	91.3	Very high	90	Very high	17 Å²	17	38.6 Å²	38.6	9%	0.087	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-43.1	176.4	-61.5	164.5	0	0	0	110.7	C543 F544 M611 Q612 L617 D618 E619 N772 L773	C543-I615 HydrophobicContact CB-CG2 4.02Å; C543-I615 VanDerWaalsContact O-CG2 3.29Å; C543-I615 WeakPolarHBondContact O-CG2 3.01Å; F544-I615 HydrophobicContact CB-CG2 4.44Å; M611-I615 WeakPolarHBondContact O-CG1 3.43Å; M611-I615 PolarHBondContact O-N 3.05Å; M611-I615 VanDerWaalsContact O-N 3.09Å; Q612-I615 PolarHBondContact O-N 3.23Å; I615-L617 VanDerWaalsContact C-N 3.3Å; I615-L617 PolarHBondContact O-N 2.94Å; I615-D618 WeakPolarHBondContact O-CB 3.39Å; I615-D618 PolarHBondContact O-N 2.92Å; I615-E619 PolarHBondContact O-N 2.96Å; I615-E619 VanDerWaalsContact O-N 3.16Å; I615-N772 HydrophobicContact CD1-CB 3.76Å; I615-L773 HydrophobicContact CG1-CD2 4.27Å; I615-L773 HydrophobicContact CG1-CG 4.48Å
616	N	92.9	Very high	90.2	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.011	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-39	176.5	-67.5	-4.9	0	0	0	111.6	F544 S545 V548 Q612 F613 C614 D618 E619 L620	F544-N616 VanDerWaalsContact CA-OD1 3.3Å; F544-N616 WeakPolarHBondContact CA-OD1 3.49Å; F544-N616 WeakPolarHBondContact CB-OD1 3.28Å; S545-N616 PolarHBondContact N-OD1 2.88Å; S545-N616 PolarHBondContact OG-ND2 3.16Å; V548-N616 HydrophobicContact CG2-CB 4.03Å; Q612-N616 PolarHBondContact NE2-OD1 3.26Å; Q612-N616 WeakPolarHBondContact O-CB 3.34Å; Q612-N616 PolarHBondContact O-N 3.21Å; Q612-N616 PolarHBondContact O-OD1 3.36Å; F613-N616 PolarHBondContact O-N 2.82Å; C614-N616 VanDerWaalsContact C-N 3.35Å; N616-D618 VanDerWaalsContact C-N 3.35Å; N616-E619 PolarHBondContact O-N 3.06Å; N616-L620 WeakPolarHBondContact O-CB 3.4Å; N616-L620 WeakPolarHBondContact O-CG 3.45Å; N616-L620 PolarHBondContact O-N 3.22Å
617	L	93.1	Very high	90.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.8	-37.5	176.7	-73.5	169.6	0	0	0	112.3	L596 F613 C614 I615 L620 E621 L686 I689 R690 V693	L596-L617 HydrophobicContact CD1-CD2 4.05Å; F613-L617 HydrophobicContact CD1-CD1 3.74Å; F613-L617 HydrophobicContact CD1-CG 3.89Å; F613-L617 HydrophobicContact CE1-CD1 4.04Å; F613-L617 HydrophobicContact CE1-CD2 4.18Å; F613-L617 HydrophobicContact CE1-CG 4.06Å; F613-L617 VanDerWaalsContact O-CG 3.3Å; F613-L617 WeakPolarHBondContact O-CG 3.39Å; F613-L617 PolarHBondContact O-N 3.07Å; C614-L617 PolarHBondContact O-N 3.42Å; I615-L617 VanDerWaalsContact C-N 3.3Å; I615-L617 PolarHBondContact O-N 2.94Å; L617-L620 HydrophobicContact CD2-CD1 4.37Å; L617-L620 PolarHBondContact O-N 2.82Å; L617-E621 WeakPolarHBondContact O-CG 3.22Å; L617-E621 PolarHBondContact O-N 3.47Å; L617-L686 HydrophobicContact CD2-CD2 3.78Å; L617-I689 HydrophobicContact CD1-CB 4.37Å; L617-I689 HydrophobicContact CD1-CG2 3.75Å; L617-I689 HydrophobicContact CD2-CB 4.43Å; L617-I689 HydrophobicContact CD2-CG2 4.1Å; L617-R690 HydrophobicContact CB-CB 4.38Å; L617-R690 HydrophobicContact CB-CG 4.48Å; L617-R690 HydrophobicContact CD1-CB 4.36Å; L617-V693 HydrophobicContact CD1-CB 4.42Å; L617-V693 HydrophobicContact CD1-CG2 3.7Å
618	D	90.1	Very high	90.1	Very high	59 Å²	59	25.3 Å²	25.3	32%	0.316	14%	0.142	S	C	.	.	H	α-helix	trans	-60.5	-46.4	175.9	-158.6	60.6	0	0	0	111.4	C614 I615 N616 E621 R690	C614-D618 PolarHBondContact O-N 2.95Å; C614-D618 VanDerWaalsContact O-N 3.07Å; I615-D618 WeakPolarHBondContact O-CB 3.39Å; I615-D618 PolarHBondContact O-N 2.92Å; N616-D618 VanDerWaalsContact C-N 3.35Å; D618-E621 WeakPolarHBondContact O-CB 3.44Å; D618-E621 PolarHBondContact O-N 2.85Å; D618-R690 IonicContact OD1-CZ 3.52Å; D618-R690 IonicContact OD1-NH1 3.58Å; D618-R690 PolarHBondContact OD1-NH1 3.32Å
619	E	90.6	Very high	89.9	Confident	44 Å²	44	24 Å²	24	21%	0.206	13%	0.129	C	C	.	.	H	α-helix	trans	-73.1	-28.5	174.3	-175.9	65	-167.2	0	0	112.4	Y525 F544 V548 I615 N616 E621 T622 V623	Y525-E619 PolarHBondContact OH-OE1 3.36Å; F544-E619 HydrophobicContact CB-CB 4.48Å; F544-E619 HydrophobicContact CD1-CB 3.92Å; F544-E619 HydrophobicContact CD1-CG 3.57Å; F544-E619 HydrophobicContact CE1-CB 4.47Å; F544-E619 HydrophobicContact CE1-CG 3.65Å; F544-E619 HydrophobicContact CG-CB 4.34Å; F544-E619 HydrophobicContact CG-CG 4.11Å; F544-E619 HydrophobicContact CZ-CG 4.25Å; V548-E619 HydrophobicContact CB-CG 4.44Å; V548-E619 HydrophobicContact CG1-CB 4.31Å; V548-E619 HydrophobicContact CG1-CG 3.51Å; V548-E619 HydrophobicContact CG2-CB 4.1Å; V548-E619 HydrophobicContact CG2-CG 4.18Å; I615-E619 PolarHBondContact O-N 2.96Å; I615-E619 VanDerWaalsContact O-N 3.16Å; N616-E619 PolarHBondContact O-N 3.06Å; E619-E621 PolarHBondContact O-N 3.22Å; E619-T622 PolarHBondContact O-N 3.04Å; E619-T622 PolarHBondContact O-OG1 2.81Å; E619-T622 PolarHBondContact OE1-OG1 2.99Å; E619-T622 PolarHBondContact OE2-OG1 2.78Å; E619-V623 WeakPolarHBondContact O-CG2 3.41Å; E619-V623 PolarHBondContact O-N 3.29Å
620	L	92.6	Very high	89.7	Confident	3 Å²	3	22.2 Å²	22.2	2%	0.016	12%	0.123	C	C	.	.	H	α-helix	trans	-65.9	-29.8	172.3	-75.7	171.5	0	0	0	111.8	V548 I551 L596 N616 L617 T622 V623 C624 L686	V548-L620 HydrophobicContact CG2-CD2 4.36Å; V548-L620 HydrophobicContact CG2-CG 4.13Å; I551-L620 HydrophobicContact CB-CD2 3.93Å; I551-L620 HydrophobicContact CD1-CD1 3.85Å; I551-L620 HydrophobicContact CD1-CD2 4.11Å; I551-L620 HydrophobicContact CG2-CD2 3.76Å; L596-L620 HydrophobicContact CD1-CD1 4.47Å; L596-L620 HydrophobicContact CD2-CD1 4.49Å; N616-L620 WeakPolarHBondContact O-CB 3.4Å; N616-L620 WeakPolarHBondContact O-CG 3.45Å; N616-L620 PolarHBondContact O-N 3.22Å; L617-L620 HydrophobicContact CD2-CD1 4.37Å; L617-L620 PolarHBondContact O-N 2.82Å; L620-T622 VanDerWaalsContact C-N 3.33Å; L620-V623 HydrophobicContact CD2-CB 4.46Å; L620-V623 HydrophobicContact CD2-CG1 4.36Å; L620-V623 WeakPolarHBondContact O-CB 3.22Å; L620-V623 PolarHBondContact O-N 2.99Å; L620-C624 PolarHBondContact O-N 3.31Å; L620-C624 VanDerWaalsContact O-N 3.13Å; L620-L686 VanDerWaalsContact C-CD1 3.46Å; L620-L686 HydrophobicContact CB-CD1 3.72Å; L620-L686 HydrophobicContact CB-CD2 4.21Å; L620-L686 HydrophobicContact CD1-CD2 4.44Å; L620-L686 VanDerWaalsContact O-CD1 3.28Å; L620-L686 WeakPolarHBondContact O-CD1 3.34Å
621	E	90.6	Very high	89.3	Confident	38 Å²	38	22.3 Å²	22.3	18%	0.178	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-38.9	172.7	-72.4	174.8	-158.4	0	0	111	L617 D618 E619 C624 L686 K687 R690	L617-E621 WeakPolarHBondContact O-CG 3.22Å; L617-E621 PolarHBondContact O-N 3.47Å; D618-E621 WeakPolarHBondContact O-CB 3.44Å; D618-E621 PolarHBondContact O-N 2.85Å; E619-E621 PolarHBondContact O-N 3.22Å; E621-C624 PolarHBondContact O-N 2.91Å; E621-L686 HydrophobicContact CG-CB 3.73Å; E621-L686 HydrophobicContact CG-CD1 4.41Å; E621-K687 VanDerWaalsContact OE1-CA 3.24Å; E621-K687 WeakPolarHBondContact OE1-CA 3.43Å; E621-K687 PolarHBondContact OE1-N 3.48Å; E621-R690 VanDerWaalsContact CD-NH1 3.26Å; E621-R690 IonicContact OE1-CZ 3.25Å; E621-R690 IonicContact OE1-NE 3.96Å; E621-R690 IonicContact OE1-NH1 3.92Å; E621-R690 PolarHBondContact OE1-NH1 2.92Å; E621-R690 IonicContact OE1-NH2 3.78Å; E621-R690 PolarHBondContact OE1-NH2 3.44Å; E621-R690 IonicContact OE2-CZ 3.98Å; E621-R690 VanDerWaalsContact OE2-CZ 3.28Å; E621-R690 IonicContact OE2-NH1 3.51Å; E621-R690 PolarHBondContact OE2-NH1 3.34Å; E621-R690 IonicContact OE2-NH2 2.73Å; E621-R690 PolarHBondContact OE2-NH2 3.07Å
622	T	89	Confident	88.7	Confident	60 Å²	60	23 Å²	23	37%	0.368	13%	0.126	S	C	.	.	H	α-helix	trans	-71	-40.3	175.6	66.1	0	0	0	0	111.4	E619 L620 C624 G625 H626	E619-T622 PolarHBondContact O-N 3.04Å; E619-T622 PolarHBondContact O-OG1 2.81Å; E619-T622 PolarHBondContact OE1-OG1 2.99Å; E619-T622 PolarHBondContact OE2-OG1 2.78Å; L620-T622 VanDerWaalsContact C-N 3.33Å; T622-C624 PolarHBondContact O-N 2.92Å; T622-G625 WeakPolarHBondContact O-CA 3.34Å; T622-G625 PolarHBondContact O-N 3.31Å; T622-H626 PolarHBondContact O-CD2 3.41Å; T622-H626 PolarHBondContact O-N 3.3Å
623	V	90.2	Very high	87.7	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-51.5	-41	171.7	156.6	0	0	0	0	112.2	Y525 V548 Y552 E619 L620 G625 H626 L627	Y525-V623 HydrophobicContact CE2-CG2 3.73Å; Y525-V623 WeakPolarHBondContact OH-CG2 3.34Å; V548-V623 HydrophobicContact CG1-CG2 3.88Å; Y552-V623 HydrophobicContact CD2-CG1 3.96Å; E619-V623 WeakPolarHBondContact O-CG2 3.41Å; E619-V623 PolarHBondContact O-N 3.29Å; L620-V623 HydrophobicContact CD2-CB 4.46Å; L620-V623 HydrophobicContact CD2-CG1 4.36Å; L620-V623 WeakPolarHBondContact O-CB 3.22Å; L620-V623 PolarHBondContact O-N 2.99Å; V623-G625 VanDerWaalsContact C-N 3.28Å; V623-G625 PolarHBondContact O-N 3.22Å; V623-H626 PolarHBondContact O-N 3.45Å; V623-H626 VanDerWaalsContact O-N 3.14Å; V623-L627 HydrophobicContact CG1-CD1 3.76Å; V623-L627 HydrophobicContact CG1-CG 4.29Å; V623-L627 WeakPolarHBondContact O-CG 3.29Å; V623-L627 PolarHBondContact O-N 2.93Å
624	C	89.6	Confident	86.6	Confident	8 Å²	8	32.2 Å²	32.2	5%	0.054	17%	0.168	C	C	.	.	H	α-helix	trans	-60.5	-37.4	175.7	-73.1	0	0	0	0	112.7	L620 E621 T622 L627 D628 A683 L686	L620-C624 PolarHBondContact O-N 3.31Å; L620-C624 VanDerWaalsContact O-N 3.13Å; E621-C624 PolarHBondContact O-N 2.91Å; T622-C624 PolarHBondContact O-N 2.92Å; C624-L627 PolarHBondContact O-N 3.39Å; C624-D628 PolarHBondContact O-N 3.24Å; C624-A683 HydrophobicContact CB-CB 4.38Å; C624-L686 VanDerWaalsContact SG-CD1 3.58Å
625	G	87.1	Confident	85.2	Confident	34 Å²	34	32.4 Å²	32.4	35%	0.351	17%	0.169	S	C	.	.	H	α-helix	trans	-67.1	-39.1	173	0	0	0	0	0	112.5	T622 V623 D628 N629	T622-G625 WeakPolarHBondContact O-CA 3.34Å; T622-G625 PolarHBondContact O-N 3.31Å; V623-G625 VanDerWaalsContact C-N 3.28Å; V623-G625 PolarHBondContact O-N 3.22Å; G625-D628 PolarHBondContact O-N 2.97Å; G625-N629 PolarHBondContact O-N 2.82Å
626	H	87.8	Confident	83.8	Confident	59 Å²	59	32 Å²	32	27%	0.273	17%	0.167	S	C	.	.	H	α-helix	trans	-66.4	-35.6	174.7	-62.8	-55.8	0	0	0	113	P527 Y552 T622 V623 N629 Y630	P527-H626 HydrophobicContact CB-CB 4.04Å; P527-H626 HydrophobicContact CG-CB 3.79Å; Y552-H626 HydrophobicContact CE2-CB 4.26Å; T622-H626 PolarHBondContact O-CD2 3.41Å; T622-H626 PolarHBondContact O-N 3.3Å; V623-H626 PolarHBondContact O-N 3.45Å; V623-H626 VanDerWaalsContact O-N 3.14Å; H626-N629 PolarHBondContact O-N 3.4Å; H626-Y630 WeakPolarHBondContact O-CB 3.48Å; H626-Y630 PolarHBondContact O-N 2.86Å
627	L	89	Confident	82.1	Confident	1 Å²	1	37 Å²	37	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-69.5	-37.5	174.2	-70.5	166	0	0	0	111.9	Y552 V555 R556 I559 F588 V623 C624 N629 Y630 L631 L680	Y552-L627 HydrophobicContact CD2-CD2 3.78Å; Y552-L627 HydrophobicContact CD2-CG 3.93Å; Y552-L627 HydrophobicContact CE2-CD2 3.71Å; Y552-L627 HydrophobicContact CE2-CG 4.02Å; V555-L627 HydrophobicContact CB-CD1 3.98Å; V555-L627 HydrophobicContact CB-CD2 4.37Å; V555-L627 HydrophobicContact CG1-CD1 3.63Å; V555-L627 HydrophobicContact CG1-CD2 4.16Å; R556-L627 HydrophobicContact CB-CD2 4.35Å; I559-L627 HydrophobicContact CD1-CD2 4.16Å; F588-L627 HydrophobicContact CZ-CD1 4.21Å; V623-L627 HydrophobicContact CG1-CD1 3.76Å; V623-L627 HydrophobicContact CG1-CG 4.29Å; V623-L627 WeakPolarHBondContact O-CG 3.29Å; V623-L627 PolarHBondContact O-N 2.93Å; C624-L627 PolarHBondContact O-N 3.39Å; L627-N629 VanDerWaalsContact C-N 3.34Å; L627-Y630 PolarHBondContact O-N 3.29Å; L627-L631 WeakPolarHBondContact O-CB 3.45Å; L627-L631 PolarHBondContact O-N 2.87Å; L627-L680 HydrophobicContact CB-CD1 3.92Å
628	D	85.8	Confident	80.4	Confident	10 Å²	10	42.4 Å²	42.4	5%	0.053	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-45.4	172.9	-161.1	40.9	0	0	0	109.9	C624 G625 L631 Q632 R679 L680	C624-D628 PolarHBondContact O-N 3.24Å; G625-D628 PolarHBondContact O-N 2.97Å; D628-L631 PolarHBondContact O-N 3.41Å; D628-Q632 WeakPolarHBondContact O-CB 3.37Å; D628-Q632 WeakPolarHBondContact O-CG 3.32Å; D628-Q632 PolarHBondContact O-N 3.41Å; D628-Q632 PolarHBondContact OD1-NE2 2.85Å; D628-Q632 PolarHBondContact OD2-NE2 2.82Å; D628-R679 IonicContact OD2-CZ 3.89Å; D628-R679 IonicContact OD2-NE 3.26Å; D628-R679 PolarHBondContact OD2-NE 2.72Å; D628-R679 VanDerWaalsContact OD2-NE 3.09Å; D628-R679 IonicContact OD2-NH2 2.98Å; D628-R679 PolarHBondContact OD2-NH2 3.13Å; D628-L680 HydrophobicContact CB-CD1 4.36Å
629	N	84.2	Confident	78.4	Confident	74 Å²	74	40.3 Å²	40.3	40%	0.396	21%	0.21	S	C	.	.	H	α-helix	trans	-65.3	-42.2	175.4	-71	-20.5	0	0	0	112.7	G625 H626 L627 L631 Q632 Y633	G625-N629 PolarHBondContact O-N 2.82Å; H626-N629 PolarHBondContact O-N 3.4Å; L627-N629 VanDerWaalsContact C-N 3.34Å; N629-L631 VanDerWaalsContact C-N 3.29Å; N629-L631 PolarHBondContact O-N 2.84Å; N629-Q632 PolarHBondContact O-N 3.46Å; N629-Y633 HydrophobicContact CB-CD2 4.15Å; N629-Y633 WeakPolarHBondContact O-CB 3.34Å; N629-Y633 VanDerWaalsContact O-CD2 3.29Å; N629-Y633 WeakPolarHBondContact O-CD2 3.14Å; N629-Y633 PolarHBondContact O-N 3.49Å
630	Y	84.6	Confident	76.4	Confident	16 Å²	16	40.3 Å²	40.3	6%	0.063	22%	0.215	C	C	.	.	I	π-helix	trans	-60.5	-41.8	177.2	174.2	-102.4	0	0	0	111.7	R556 N560 H626 L627 T634 L635	R556-Y630 HydrophobicContact CG-CD1 4.08Å; R556-Y630 HydrophobicContact CG-CE1 3.56Å; R556-Y630 HydrophobicContact CG-CE2 4.3Å; R556-Y630 PolarHBondContact NE-OH 2.85Å; N560-Y630 PolarHBondContact ND2-OH 3.05Å; N560-Y630 WeakPolarHBondContact OD1-CE1 3.24Å; N560-Y630 PolarHBondContact OD1-OH 3.33Å; H626-Y630 WeakPolarHBondContact O-CB 3.48Å; H626-Y630 PolarHBondContact O-N 2.86Å; L627-Y630 PolarHBondContact O-N 3.29Å; Y630-T634 VanDerWaalsContact CD2-CB 3.48Å; Y630-T634 HydrophobicContact CD2-CG2 3.85Å; Y630-T634 HydrophobicContact CE2-CG2 3.57Å; Y630-T634 WeakPolarHBondContact O-CB 3.29Å; Y630-T634 PolarHBondContact O-N 3.39Å; Y630-L635 HydrophobicContact CD1-CD1 3.93Å; Y630-L635 HydrophobicContact CD1-CG 4.4Å; Y630-L635 HydrophobicContact CE1-CD1 3.34Å; Y630-L635 HydrophobicContact CE1-CG 3.69Å; Y630-L635 PolarHBondContact O-N 3Å; Y630-L635 VanDerWaalsContact O-N 3.13Å
631	L	81.7	Confident	74.2	Confident	1 Å²	1	44 Å²	44	1%	0.005	24%	0.241	C	C	.	.	I	π-helix	trans	-65	-43.8	176.7	-172.5	145.3	0	0	0	111.5	I559 E577 I580 N581 L627 D628 N629	I559-L631 HydrophobicContact CG2-CD1 4.18Å; E577-L631 HydrophobicContact CG-CD2 4.01Å; I580-L631 HydrophobicContact CB-CD1 4.21Å; I580-L631 HydrophobicContact CG2-CD1 3.47Å; I580-L631 VanDerWaalsContact CG2-CD1 3.47Å; N581-L631 WeakPolarHBondContact OD1-CD1 3.32Å; L627-L631 WeakPolarHBondContact O-CB 3.45Å; L627-L631 PolarHBondContact O-N 2.87Å; D628-L631 PolarHBondContact O-N 3.41Å; N629-L631 VanDerWaalsContact C-N 3.29Å; N629-L631 PolarHBondContact O-N 2.84Å
632	Q	77.3	Confident	72	Confident	34 Å²	34	47.8 Å²	47.8	16%	0.159	26%	0.261	C	S	.	.	I	π-helix	trans	-74.1	-38.8	-178.3	-73.2	170.5	20.6	0	0	114.3	D628 N629 L636	D628-Q632 WeakPolarHBondContact O-CB 3.37Å; D628-Q632 WeakPolarHBondContact O-CG 3.32Å; D628-Q632 PolarHBondContact O-N 3.41Å; D628-Q632 PolarHBondContact OD1-NE2 2.85Å; D628-Q632 PolarHBondContact OD2-NE2 2.82Å; N629-Q632 PolarHBondContact O-N 3.46Å; Q632-L636 VanDerWaalsContact O-CB 3.29Å; Q632-L636 WeakPolarHBondContact O-CB 3.43Å
633	Y	71.7	Confident	69.6	Low	149 Å²	149	49.1 Å²	49.1	58%	0.584	27%	0.27	S	S	*	.	I	π-helix	trans	-111.6	-29	-168.4	-62.9	-73.7	0	0	0	114.5	N629 D637	N629-Y633 HydrophobicContact CB-CD2 4.15Å; N629-Y633 WeakPolarHBondContact O-CB 3.34Å; N629-Y633 VanDerWaalsContact O-CD2 3.29Å; N629-Y633 WeakPolarHBondContact O-CD2 3.14Å; N629-Y633 PolarHBondContact O-N 3.49Å; Y633-D637 WeakPolarHBondContact O-CB 3.47Å
634	T	67.1	Low	66.8	Low	65 Å²	65	52.3 Å²	52.3	40%	0.399	29%	0.292	S	S	.	.	I	π-helix	trans	-97.1	-53.3	-174.3	-48.6	0	0	0	0	111.5	Y630 L636	Y630-T634 VanDerWaalsContact CD2-CB 3.48Å; Y630-T634 HydrophobicContact CD2-CG2 3.85Å; Y630-T634 HydrophobicContact CE2-CG2 3.57Å; Y630-T634 WeakPolarHBondContact O-CB 3.29Å; Y630-T634 PolarHBondContact O-N 3.39Å; T634-L636 VanDerWaalsContact C-N 3.33Å; T634-L636 PolarHBondContact O-N 3.33Å
635	L	63.5	Low	64.1	Low	4 Å²	4	54.6 Å²	54.6	2%	0.021	32%	0.317	C	S	.	.	I	π-helix	trans	-70.2	-33	178.9	-83.9	166.8	0	0	0	112.8	I559 Y563 Y630 A639	I559-L635 HydrophobicContact CB-CD1 4.41Å; I559-L635 HydrophobicContact CG2-CD1 3.29Å; Y563-L635 HydrophobicContact CG-CD2 4.29Å; Y630-L635 HydrophobicContact CD1-CD1 3.93Å; Y630-L635 HydrophobicContact CD1-CG 4.4Å; Y630-L635 HydrophobicContact CE1-CD1 3.34Å; Y630-L635 HydrophobicContact CE1-CG 3.69Å; Y630-L635 PolarHBondContact O-N 3Å; Y630-L635 VanDerWaalsContact O-N 3.13Å; L635-A639 PolarHBondContact O-N 2.89Å; L635-A639 VanDerWaalsContact O-N 3.16Å
636	L	61.4	Low	61.5	Low	8 Å²	8	60.3 Å²	60.3	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-80.3	-24.8	-176.6	-105	48.1	0	0	0	113.4	Y573 Q632 T634 A639 S640	Y573-L636 HydrophobicContact CD2-CD2 4.19Å; Y573-L636 HydrophobicContact CD2-CG 4.02Å; Y573-L636 HydrophobicContact CE1-CD2 4.18Å; Y573-L636 HydrophobicContact CE2-CB 4.09Å; Y573-L636 HydrophobicContact CE2-CD1 4.47Å; Y573-L636 HydrophobicContact CE2-CD2 3.19Å; Y573-L636 HydrophobicContact CE2-CG 3.32Å; Y573-L636 WeakPolarHBondContact OH-CD2 3.4Å; Q632-L636 VanDerWaalsContact O-CB 3.29Å; Q632-L636 WeakPolarHBondContact O-CB 3.43Å; T634-L636 VanDerWaalsContact C-N 3.33Å; T634-L636 PolarHBondContact O-N 3.33Å; L636-A639 PolarHBondContact O-N 3.36Å; L636-S640 WeakPolarHBondContact O-CB 3.3Å; L636-S640 PolarHBondContact O-N 3.16Å
637	D	57.8	Low	58.8	Low	108 Å²	108	63.7 Å²	63.7	58%	0.578	35%	0.347	S	S	*	.	H	α-helix	trans	-76.1	-30.2	173.4	-146.1	27.3	0	0	0	111.6	Y633 S640 S641	Y633-D637 WeakPolarHBondContact O-CB 3.47Å; D637-S640 WeakPolarHBondContact CA-OG 3.45Å; D637-S640 PolarHBondContact O-OG 2.81Å; D637-S640 PolarHBondContact OD1-OG 3.44Å; D637-S641 WeakPolarHBondContact O-CB 3.43Å; D637-S641 PolarHBondContact O-N 3.4Å; D637-S641 PolarHBondContact O-OG 3.44Å
638	E	55.9	Low	56	Low	114 Å²	114	72 Å²	72	53%	0.533	38%	0.383	S	S	.	.	H	α-helix	trans	-64.3	-41.8	166.2	-70.8	-179.3	167.5	0	0	111	S641 I642	E638-S641 PolarHBondContact O-N 3.29Å; E638-I642 WeakPolarHBondContact O-CG1 3.22Å; E638-I642 PolarHBondContact O-N 2.92Å
639	A	49.4	Very low	53.4	Low	14 Å²	14	79 Å²	79	12%	0.116	42%	0.42	C	S	.	.	H	α-helix	trans	-69.3	-37.9	177	0	0	0	0	0	113.4	Y563 L635 L636 S641 I642 T643	Y563-A639 HydrophobicContact CE2-CB 4.01Å; Y563-A639 WeakPolarHBondContact OH-CB 3.34Å; L635-A639 PolarHBondContact O-N 2.89Å; L635-A639 VanDerWaalsContact O-N 3.16Å; L636-A639 PolarHBondContact O-N 3.36Å; A639-S641 VanDerWaalsContact C-N 3.32Å; A639-I642 PolarHBondContact O-N 3.25Å; A639-T643 PolarHBondContact O-N 3.07Å; A639-T643 VanDerWaalsContact O-N 3.08Å; A639-T643 PolarHBondContact O-OG1 3.22Å; A639-T643 VanDerWaalsContact O-OG1 3.05Å
640	S	49.1	Very low	50.7	Low	45 Å²	45	84.1 Å²	84.1	32%	0.315	44%	0.44	S	S	.	.	H	α-helix	trans	-66.4	-36.6	176.4	79.4	0	0	0	0	110.8	L636 D637 I642 T643 S644	L636-S640 WeakPolarHBondContact O-CB 3.3Å; L636-S640 PolarHBondContact O-N 3.16Å; D637-S640 WeakPolarHBondContact CA-OG 3.45Å; D637-S640 PolarHBondContact O-OG 2.81Å; D637-S640 PolarHBondContact OD1-OG 3.44Å; S640-I642 VanDerWaalsContact C-N 3.32Å; S640-I642 PolarHBondContact O-N 3.24Å; S640-T643 WeakPolarHBondContact CA-OG1 3.24Å; S640-T643 PolarHBondContact O-N 3.34Å; S640-T643 PolarHBondContact O-OG1 2.99Å; S640-S644 WeakPolarHBondContact O-CB 3.43Å; S640-S644 PolarHBondContact O-N 3.39Å
641	S	45.9	Very low	47.8	Very low	80 Å²	80	86.6 Å²	86.6	56%	0.559	47%	0.47	S	S	*	.	H	α-helix	trans	-64.2	-36.9	176.6	-63.6	0	0	0	0	112.1	D637 E638 A639 G645	D637-S641 WeakPolarHBondContact O-CB 3.43Å; D637-S641 PolarHBondContact O-N 3.4Å; D637-S641 PolarHBondContact O-OG 3.44Å; E638-S641 PolarHBondContact O-N 3.29Å; A639-S641 VanDerWaalsContact C-N 3.32Å; S641-G645 PolarHBondContact O-N 3.09Å
642	I	43.1	Very low	45.3	Very low	117 Å²	117	94.2 Å²	94.2	60%	0.6	51%	0.51	S	S	*	.	H	α-helix	trans	-73.6	-36	176.1	-61.8	166.7	0	0	0	111.4	E638 A639 S640	E638-I642 WeakPolarHBondContact O-CG1 3.22Å; E638-I642 PolarHBondContact O-N 2.92Å; A639-I642 PolarHBondContact O-N 3.25Å; S640-I642 VanDerWaalsContact C-N 3.32Å; S640-I642 PolarHBondContact O-N 3.24Å
643	T	38.7	Very low	43	Very low	89 Å²	89	99.6 Å²	99.6	55%	0.546	54%	0.538	S	S	.	.	H	α-helix	trans	-81	-32.5	179.5	52.2	0	0	0	0	113.5	A639 S640 G645 R646	A639-T643 PolarHBondContact O-N 3.07Å; A639-T643 VanDerWaalsContact O-N 3.08Å; A639-T643 PolarHBondContact O-OG1 3.22Å; A639-T643 VanDerWaalsContact O-OG1 3.05Å; S640-T643 WeakPolarHBondContact CA-OG1 3.24Å; S640-T643 PolarHBondContact O-N 3.34Å; S640-T643 PolarHBondContact O-OG1 2.99Å; T643-G645 VanDerWaalsContact C-N 3.35Å; T643-R646 WeakPolarHBondContact O-CB 3.47Å; T643-R646 PolarHBondContact O-N 3.44Å; T643-R646 VanDerWaalsContact O-N 3.17Å
644	S	33	Very low	40.7	Very low	68 Å²	68	102.8 Å²	102.8	48%	0.476	55%	0.549	S	S	.	.	H	α-helix	trans	-74	-27.2	177	-155.4	0	0	0	0	112.3	S640 R646 L647	S640-S644 WeakPolarHBondContact O-CB 3.43Å; S640-S644 PolarHBondContact O-N 3.39Å; S644-R646 PolarHBondContact O-N 2.76Å; S644-L647 PolarHBondContact O-N 3.23Å
645	G	32.7	Very low	38.8	Very low	56 Å²	56	107.3 Å²	107.3	58%	0.577	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-28.8	167.3	0	0	0	0	0	113.4	S641 T643	S641-G645 PolarHBondContact O-N 3.09Å; T643-G645 VanDerWaalsContact C-N 3.35Å
646	R	32.2	Very low	37.1	Very low	154 Å²	154	113.1 Å²	113.1	58%	0.581	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-17.3	177.4	-85.8	-176.6	171	179.8	-1.2	114.8	S235 T643 S644	S235-R646 PolarHBondContact O-NH2 3.42Å; T643-R646 WeakPolarHBondContact O-CB 3.47Å; T643-R646 PolarHBondContact O-N 3.44Å; T643-R646 VanDerWaalsContact O-N 3.17Å; S644-R646 PolarHBondContact O-N 2.76Å
647	L	30.6	Very low	35.5	Very low	131 Å²	131	120.8 Å²	120.8	69%	0.686	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-9.6	-178.5	-79.4	166.4	0	0	0	114.1	S644 D649 F650	S644-L647 PolarHBondContact O-N 3.23Å; L647-D649 PolarHBondContact O-N 2.93Å; L647-F650 PolarHBondContact O-N 3.47Å
648	K	30.4	Very low	34	Very low	175 Å²	175	125.7 Å²	125.7	76%	0.761	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-13.2	178.1	-83.3	-176	178	173.8	0	114.9	F650	K648-F650 VanDerWaalsContact C-N 3.35Å
649	D	31.8	Very low	32.6	Very low	156 Å²	156	128.5 Å²	128.5	83%	0.834	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	2.3	177	-97.9	-0.9	0	0	0	114.8	L647	L647-D649 PolarHBondContact O-N 2.93Å
650	F	27.2	Very low	31.5	Very low	183 Å²	183	135.1 Å²	135.1	80%	0.803	70%	0.695	S	S	*	*	S	Bend	trans	-106.9	86.1	164.7	-82.1	-83.6	0	0	0	110.1	L647 K648 L652	L647-F650 PolarHBondContact O-N 3.47Å; K648-F650 VanDerWaalsContact C-N 3.35Å; F650-L652 PolarHBondContact O-N 3.18Å
651	G	23.9	Very low	30.4	Very low	68 Å²	68	137.9 Å²	137.9	70%	0.701	71%	0.714	S	S	*	*			trans	-60.5	122.9	177.3	0	0	0	0	0	112.7
652	L	28.5	Very low	29.4	Very low	160 Å²	160	141.1 Å²	141.1	84%	0.838	73%	0.725	S	S	*	*			trans	-138	104.6	152.2	-77.2	177.3	0	0	0	109.6	F650	F650-L652 PolarHBondContact O-N 3.18Å
653	I	28.8	Very low	28.7	Very low	148 Å²	148	144.1 Å²	144.1	76%	0.759	74%	0.739	S	S	*	*			trans	43.1	101.2	141.5	-52.8	172.1	0	0	0	116.3	D655	I653-D655 PolarHBondContact O-N 3.21Å
654	R	23.2	Very low	28.2	Very low	216 Å²	216	146 Å²	146	82%	0.815	75%	0.75	S	S	*	*			trans	-72.3	106.8	170.9	-164.9	-179.3	-164.3	-179.9	4.5	109.8
655	D	28.3	Very low	27.8	Very low	159 Å²	159	147 Å²	147	85%	0.85	76%	0.763	S	S	*	*			trans	-98.5	105.3	160.1	-95.9	-28.3	0	0	0	109.5	I653	I653-D655 PolarHBondContact O-N 3.21Å
656	N	26.4	Very low	27.4	Very low	126 Å²	126	149.1 Å²	149.1	67%	0.674	77%	0.769	S	S	*	*			trans	-73.1	118.8	173.4	-74.9	-31	0	0	0	110
657	Q	29.2	Very low	27	Very low	169 Å²	169	148.5 Å²	148.5	79%	0.79	78%	0.782	S	S	*	*			trans	-142.8	111.5	148.2	-69.8	-161.3	1	0	0	111.9
658	R	25.6	Very low	26.6	Very low	212 Å²	212	147.5 Å²	147.5	80%	0.8	78%	0.781	S	S	*	*			trans	61.7	110.7	135.7	-62.3	175.8	-179.7	177.1	-0.8	117.8
659	E	26.8	Very low	26.3	Very low	172 Å²	172	146.5 Å²	146.5	80%	0.804	78%	0.784	S	S	*	*				56.9	97.6	87.3	-71.6	-177.4	172.5	0	0	112.2
660	D	25	Very low	25.9	Very low	153 Å²	153	146.5 Å²	146.5	82%	0.818	78%	0.784	S	S	*	*				175.3	153	98.7	-92.9	-31.5	0	0	0	112.6
661	S	26.6	Very low	25.9	Very low	104 Å²	104	143 Å²	143	73%	0.727	78%	0.782	S	S	*	*			trans	-38	136.2	176.8	52.8	0	0	0	0	118
662	D	25	Very low	26.1	Very low	147 Å²	147	142.8 Å²	142.8	79%	0.786	78%	0.78	S	S	*	*				-167.6	112.2	114	-129.5	-12.9	0	0	0	111.6	T664	D662-T664 PolarHBondContact O-N 3.14Å
663	M	29.3	Very low	26.3	Very low	181 Å²	181	139.8 Å²	139.8	89%	0.892	78%	0.778	S	S	*	*			trans	-90.6	73.8	176.3	-85.6	-79.4	-76.5	0	0	109.5
664	T	27.1	Very low	26.4	Very low	127 Å²	127	139.6 Å²	139.6	78%	0.779	78%	0.778	S	S	*	*			trans	-171.8	88.8	155.4	45.4	0	0	0	0	109.2	D662	D662-T664 PolarHBondContact O-N 3.14Å
665	A	25.5	Very low	27	Very low	90 Å²	90	133.9 Å²	133.9	74%	0.744	77%	0.769	S	S	*	*			trans	-134.4	101.4	163.7	0	0	0	0	0	108.3	V667	A665-V667 PolarHBondContact O-N 3.49Å
666	S	24	Very low	27.7	Very low	101 Å²	101	128.2 Å²	128.2	71%	0.706	74%	0.741	S	S	*	*			trans	-29.1	122	158.2	44.6	0	0	0	0	111.2	T668	S666-T668 VanDerWaalsContact C-N 3.29Å; S666-T668 PolarHBondContact O-N 3.16Å
667	V	24.3	Very low	29	Very low	141 Å²	141	134 Å²	134	86%	0.855	75%	0.753	S	S	*	*			trans	-54.8	90.7	178.4	179.2	0	0	0	0	109.4	A665	A665-V667 PolarHBondContact O-N 3.49Å
668	T	21.9	Very low	30.5	Very low	110 Å²	110	127.1 Å²	127.1	68%	0.675	72%	0.724	S	S	*	*			trans	-80.1	120	168.8	26.7	0	0	0	0	107.8	S666 N670	S666-T668 VanDerWaalsContact C-N 3.29Å; S666-T668 PolarHBondContact O-N 3.16Å; T668-N670 VanDerWaalsContact C-N 3.31Å; T668-N670 PolarHBondContact O-N 2.69Å
669	L	24.2	Very low	32.7	Very low	154 Å²	154	123.4 Å²	123.4	81%	0.806	71%	0.71	S	S	*	*			trans	-59.9	81.2	-179	-66.3	159.2	0	0	0	111.6	S671	L669-S671 PolarHBondContact O-N 2.83Å
670	N	24	Very low	35.3	Very low	156 Å²	156	116 Å²	116	83%	0.834	68%	0.676	S	S	*	*			trans	-84.8	89.7	166.9	-83.8	-2.1	0	0	0	109.1	T668 G672	T668-N670 VanDerWaalsContact C-N 3.31Å; T668-N670 PolarHBondContact O-N 2.69Å; N670-G672 VanDerWaalsContact C-N 3.27Å; N670-G672 PolarHBondContact O-N 3Å
671	S	26.9	Very low	38	Very low	110 Å²	110	114.9 Å²	114.9	77%	0.769	67%	0.666	S	S	*	*			trans	-60.5	86.5	164.6	167.9	0	0	0	0	109.8	L669	L669-S671 PolarHBondContact O-N 2.83Å
672	G	26.8	Very low	40.6	Very low	63 Å²	63	110 Å²	110	65%	0.649	63%	0.631	S	S	*	*			trans	-57.9	140.1	165.1	0	0	0	0	0	110.6	N670 N674	N670-G672 VanDerWaalsContact C-N 3.27Å; N670-G672 PolarHBondContact O-N 3Å; G672-N674 PolarHBondContact O-N 3.09Å
673	A	33.6	Very low	43.5	Very low	97 Å²	97	104.9 Å²	104.9	80%	0.802	61%	0.609	S	S	*	*	S	Bend	trans	-65.4	87.9	-165.1	0	0	0	0	0	113.8
674	N	31.1	Very low	46.2	Very low	144 Å²	144	99.5 Å²	99.5	77%	0.77	59%	0.59	S	S	*	*			trans	174.2	104	139.9	-88.3	-32.3	0	0	0	107.1	G672	G672-N674 PolarHBondContact O-N 3.09Å
675	P	34.7	Very low	49.1	Very low	95 Å²	95	94.7 Å²	94.7	62%	0.617	56%	0.559	S	S	*	*			trans	-61	138.6	176.2	24.3	-31	0	0	0	109.6	R677	P675-R677 PolarHBondContact O-N 2.87Å
676	P	44.1	Very low	52.3	Low	40 Å²	40	90.5 Å²	90.5	26%	0.26	52%	0.524	S	S	.	.			trans	-55.8	130.9	-178.8	19.2	-29.6	0	0	0	110.2	E577 S678 R679	E577-P676 VanDerWaalsContact OE1-CB 3.26Å; E577-P676 WeakPolarHBondContact OE1-CB 3.39Å; P676-S678 PolarHBondContact O-N 2.72Å; P676-R679 HydrophobicContact CG-CG 4.3Å
677	R	53.2	Low	55.4	Low	247 Å²	247	91.2 Å²	91.2	93%	0.932	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.5	-170.9	-98.4	-178.8	-177.9	172.7	1.9	113.8	P675	P675-R677 PolarHBondContact O-N 2.87Å
678	S	60.1	Low	58.5	Low	25 Å²	25	89.7 Å²	89.7	18%	0.175	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	55.8	-166.7	57.3	0	0	0	0	113.2	D578 N581 P676	D578-S678 WeakPolarHBondContact OD1-CB 3.37Å; D578-S678 PolarHBondContact OD1-OG 3.33Å; N581-S678 WeakPolarHBondContact CB-O 3.47Å; N581-S678 PolarHBondContact ND2-O 3.26Å; N581-S678 PolarHBondContact ND2-OG 3.43Å; P676-S678 PolarHBondContact O-N 2.72Å
679	R	72.6	Confident	61.8	Low	134 Å²	134	84.7 Å²	84.7	51%	0.506	47%	0.471	S	S	.	.			trans	-55.4	155.1	175.4	-59.4	-171.9	90	136.5	7.2	112.9	N585 D628 P676 Q681	N585-R679 PolarHBondContact ND2-O 2.97Å; D628-R679 IonicContact OD2-CZ 3.89Å; D628-R679 IonicContact OD2-NE 3.26Å; D628-R679 PolarHBondContact OD2-NE 2.72Å; D628-R679 VanDerWaalsContact OD2-NE 3.09Å; D628-R679 IonicContact OD2-NH2 2.98Å; D628-R679 PolarHBondContact OD2-NH2 3.13Å; P676-R679 HydrophobicContact CG-CG 4.3Å; R679-Q681 PolarHBondContact O-N 2.9Å
680	L	80.3	Confident	65	Low	17 Å²	17	78.8 Å²	78.8	9%	0.089	44%	0.438	C	S	.	.			trans	-61.1	121.1	172.3	-66.6	-178.9	0	0	0	111.1	N581 T584 N585 F588 L627 D628 G682	N581-L680 WeakPolarHBondContact OD1-CD2 3.31Å; T584-L680 HydrophobicContact CG2-CD2 3.62Å; N585-L680 WeakPolarHBondContact OD1-CA 3.35Å; F588-L680 HydrophobicContact CE2-CB 4.22Å; F588-L680 HydrophobicContact CE2-CD1 4.37Å; F588-L680 HydrophobicContact CE2-CD2 4.2Å; L627-L680 HydrophobicContact CB-CD1 3.92Å; D628-L680 HydrophobicContact CB-CD1 4.36Å; L680-G682 VanDerWaalsContact C-N 3.26Å; L680-G682 PolarHBondContact O-N 3.25Å
681	Q	82.1	Confident	68.2	Low	130 Å²	130	75 Å²	75	61%	0.607	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	11.1	-178.5	-62.4	-179.3	-11.3	0	0	112.9	N585 R679 A683 S684 L685	N585-Q681 PolarHBondContact OD1-N 2.84Å; R679-Q681 PolarHBondContact O-N 2.9Å; Q681-A683 VanDerWaalsContact C-N 3.28Å; Q681-A683 PolarHBondContact O-N 3.25Å; Q681-S684 PolarHBondContact O-N 3.13Å; Q681-S684 PolarHBondContact O-OG 3.1Å; Q681-L685 PolarHBondContact O-N 2.94Å
682	G	82.1	Confident	71.3	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-59.4	-37.3	-178.3	0	0	0	0	0	112.9	L680 S684 L685 L686	L680-G682 VanDerWaalsContact C-N 3.26Å; L680-G682 PolarHBondContact O-N 3.25Å; G682-S684 PolarHBondContact O-N 3.39Å; G682-L685 WeakPolarHBondContact O-CB 3.4Å; G682-L685 PolarHBondContact O-N 2.99Å; G682-L686 WeakPolarHBondContact O-CB 3.5Å; G682-L686 VanDerWaalsContact O-CG 3.22Å; G682-L686 WeakPolarHBondContact O-CG 3.4Å; G682-L686 PolarHBondContact O-N 3.48Å
683	A	85.2	Confident	74.4	Confident	40 Å²	40	69.6 Å²	69.6	33%	0.331	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-40.3	-178.7	0	0	0	0	0	113.4	C624 Q681 L686 K687	C624-A683 HydrophobicContact CB-CB 4.38Å; Q681-A683 VanDerWaalsContact C-N 3.28Å; Q681-A683 PolarHBondContact O-N 3.25Å; A683-L686 PolarHBondContact O-N 3.41Å; A683-K687 WeakPolarHBondContact O-CB 3.42Å; A683-K687 PolarHBondContact O-N 3.23Å
684	S	86.7	Confident	77.1	Confident	69 Å²	69	67.2 Å²	67.2	48%	0.483	34%	0.34	S	S	.	.	H	α-helix	trans	-67.5	-40	177.3	52.8	0	0	0	0	111.7	Q681 G682 K687 D688	Q681-S684 PolarHBondContact O-N 3.13Å; Q681-S684 PolarHBondContact O-OG 3.1Å; G682-S684 PolarHBondContact O-N 3.39Å; S684-K687 WeakPolarHBondContact O-CB 3.46Å; S684-K687 PolarHBondContact O-N 3.17Å; S684-D688 PolarHBondContact O-N 2.91Å; S684-D688 VanDerWaalsContact O-N 3.14Å
685	L	88.4	Confident	79.9	Confident	26 Å²	26	64.1 Å²	64.1	14%	0.136	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-47.2	176.2	-179.6	78	0	0	0	111.7	F588 N593 Q681 G682 K687 D688 I689	F588-L685 VanDerWaalsContact C-CD2 3.49Å; F588-L685 HydrophobicContact CB-CD2 3.93Å; F588-L685 WeakPolarHBondContact O-CD2 3.31Å; N593-L685 HydrophobicContact CB-CD1 3.86Å; N593-L685 HydrophobicContact CB-CD2 3.84Å; N593-L685 HydrophobicContact CB-CG 4.19Å; Q681-L685 PolarHBondContact O-N 2.94Å; G682-L685 WeakPolarHBondContact O-CB 3.4Å; G682-L685 PolarHBondContact O-N 2.99Å; L685-K687 VanDerWaalsContact C-N 3.28Å; L685-K687 PolarHBondContact O-N 2.9Å; L685-D688 PolarHBondContact O-N 3.04Å; L685-I689 HydrophobicContact CG-CD1 4.46Å; L685-I689 WeakPolarHBondContact O-CG1 3.34Å; L685-I689 PolarHBondContact O-N 3.05Å; L685-I689 VanDerWaalsContact O-N 3.16Å
686	L	91.3	Very high	82.5	Confident	2 Å²	2	62 Å²	62	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-65.1	-35.6	179.5	-69.8	168.8	0	0	0	111.5	L596 L617 L620 E621 C624 G682 A683 D688 I689 R690	L596-L686 HydrophobicContact CD1-CD2 3.47Å; L596-L686 VanDerWaalsContact CD1-CD2 3.47Å; L617-L686 HydrophobicContact CD2-CD2 3.78Å; L620-L686 VanDerWaalsContact C-CD1 3.46Å; L620-L686 HydrophobicContact CB-CD1 3.72Å; L620-L686 HydrophobicContact CB-CD2 4.21Å; L620-L686 HydrophobicContact CD1-CD2 4.44Å; L620-L686 VanDerWaalsContact O-CD1 3.28Å; L620-L686 WeakPolarHBondContact O-CD1 3.34Å; E621-L686 HydrophobicContact CG-CB 3.73Å; E621-L686 HydrophobicContact CG-CD1 4.41Å; C624-L686 VanDerWaalsContact SG-CD1 3.58Å; G682-L686 WeakPolarHBondContact O-CB 3.5Å; G682-L686 VanDerWaalsContact O-CG 3.22Å; G682-L686 WeakPolarHBondContact O-CG 3.4Å; G682-L686 PolarHBondContact O-N 3.48Å; A683-L686 PolarHBondContact O-N 3.41Å; L686-D688 VanDerWaalsContact C-N 3.35Å; L686-D688 PolarHBondContact O-N 3.14Å; L686-I689 CarbonylContact O-C 3.43Å; L686-I689 PolarHBondContact O-N 3.06Å; L686-R690 WeakPolarHBondContact O-CB 3.31Å; L686-R690 PolarHBondContact O-N 3.03Å
687	K	89.2	Confident	84.7	Confident	115 Å²	115	60 Å²	60	50%	0.5	29%	0.292	S	S	.	.	H	α-helix	trans	-60.6	-41.9	172.7	-179.5	176.9	-178.3	-175.8	0	112.4	E621 A683 S684 L685 I689 R690 V691	E621-K687 VanDerWaalsContact OE1-CA 3.24Å; E621-K687 WeakPolarHBondContact OE1-CA 3.43Å; E621-K687 PolarHBondContact OE1-N 3.48Å; A683-K687 WeakPolarHBondContact O-CB 3.42Å; A683-K687 PolarHBondContact O-N 3.23Å; S684-K687 WeakPolarHBondContact O-CB 3.46Å; S684-K687 PolarHBondContact O-N 3.17Å; L685-K687 VanDerWaalsContact C-N 3.28Å; L685-K687 PolarHBondContact O-N 2.9Å; K687-I689 VanDerWaalsContact C-N 3.33Å; K687-R690 PolarHBondContact O-N 2.99Å; K687-V691 WeakPolarHBondContact O-CG2 3.41Å; K687-V691 PolarHBondContact O-N 2.91Å
688	D	90.1	Very high	86.5	Confident	109 Å²	109	48.9 Å²	48.9	58%	0.583	25%	0.252	S	S	*	.	H	α-helix	trans	-64.4	-39.9	176.6	-67.9	-20.4	0	0	0	111.5	S684 L685 L686 V691 L692	S684-D688 PolarHBondContact O-N 2.91Å; S684-D688 VanDerWaalsContact O-N 3.14Å; L685-D688 PolarHBondContact O-N 3.04Å; L686-D688 VanDerWaalsContact C-N 3.35Å; L686-D688 PolarHBondContact O-N 3.14Å; D688-V691 PolarHBondContact O-N 3.46Å; D688-L692 PolarHBondContact O-N 2.8Å
689	I	91.8	Very high	87.9	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-67.7	-38.5	174.3	-57.7	167.3	0	0	0	110.5	N593 L596 V600 L617 L685 L686 K687 L692 V693	N593-I689 WeakPolarHBondContact OD1-CD1 3.45Å; L596-I689 HydrophobicContact CB-CD1 3.94Å; L596-I689 HydrophobicContact CD1-CD1 4.06Å; V600-I689 HydrophobicContact CG2-CG2 4Å; L617-I689 HydrophobicContact CD1-CB 4.37Å; L617-I689 HydrophobicContact CD1-CG2 3.75Å; L617-I689 HydrophobicContact CD2-CB 4.43Å; L617-I689 HydrophobicContact CD2-CG2 4.1Å; L685-I689 HydrophobicContact CG-CD1 4.46Å; L685-I689 WeakPolarHBondContact O-CG1 3.34Å; L685-I689 PolarHBondContact O-N 3.05Å; L685-I689 VanDerWaalsContact O-N 3.16Å; L686-I689 CarbonylContact O-C 3.43Å; L686-I689 PolarHBondContact O-N 3.06Å; K687-I689 VanDerWaalsContact C-N 3.33Å; I689-L692 WeakPolarHBondContact O-CB 3.42Å; I689-L692 PolarHBondContact O-N 3.19Å; I689-V693 WeakPolarHBondContact O-CG2 3.49Å; I689-V693 PolarHBondContact O-N 3.29Å
690	R	91.2	Very high	88.7	Confident	31 Å²	31	45.3 Å²	45.3	12%	0.117	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-45.9	176.4	-166.5	-179.3	63.6	-142.7	-35	110.4	L617 D618 E621 L686 K687 L692 V693 E694	L617-R690 HydrophobicContact CB-CB 4.38Å; L617-R690 HydrophobicContact CB-CG 4.48Å; L617-R690 HydrophobicContact CD1-CB 4.36Å; D618-R690 IonicContact OD1-CZ 3.52Å; D618-R690 IonicContact OD1-NH1 3.58Å; D618-R690 PolarHBondContact OD1-NH1 3.32Å; E621-R690 VanDerWaalsContact CD-NH1 3.26Å; E621-R690 IonicContact OE1-CZ 3.25Å; E621-R690 IonicContact OE1-NE 3.96Å; E621-R690 IonicContact OE1-NH1 3.92Å; E621-R690 PolarHBondContact OE1-NH1 2.92Å; E621-R690 IonicContact OE1-NH2 3.78Å; E621-R690 PolarHBondContact OE1-NH2 3.44Å; E621-R690 IonicContact OE2-CZ 3.98Å; E621-R690 VanDerWaalsContact OE2-CZ 3.28Å; E621-R690 IonicContact OE2-NH1 3.51Å; E621-R690 PolarHBondContact OE2-NH1 3.34Å; E621-R690 IonicContact OE2-NH2 2.73Å; E621-R690 PolarHBondContact OE2-NH2 3.07Å; L686-R690 WeakPolarHBondContact O-CB 3.31Å; L686-R690 PolarHBondContact O-N 3.03Å; K687-R690 PolarHBondContact O-N 2.99Å; R690-L692 VanDerWaalsContact C-N 3.28Å; R690-L692 PolarHBondContact O-N 3.24Å; R690-V693 CarbonylContact O-C 3.59Å; R690-V693 PolarHBondContact O-N 3.11Å; R690-E694 HydrophobicContact CG-CG 4.44Å; R690-E694 WeakPolarHBondContact CG-OE1 3.25Å; R690-E694 IonicContact NE-OE1 3.65Å; R690-E694 PolarHBondContact NE-OE1 3.43Å; R690-E694 WeakPolarHBondContact O-CB 3.22Å; R690-E694 VanDerWaalsContact O-CG 3.27Å; R690-E694 WeakPolarHBondContact O-CG 3.36Å; R690-E694 PolarHBondContact O-N 3.01Å
691	V	90.8	Very high	89.2	Confident	77 Å²	77	44.5 Å²	44.5	47%	0.467	24%	0.235	S	C	.	.	H	α-helix	trans	-58	-41	174.1	171.4	0	0	0	0	111.3	K687 D688 E694 D695	K687-V691 WeakPolarHBondContact O-CG2 3.41Å; K687-V691 PolarHBondContact O-N 2.91Å; D688-V691 PolarHBondContact O-N 3.46Å; V691-E694 PolarHBondContact O-N 2.97Å; V691-D695 PolarHBondContact O-N 3Å
692	L	90.8	Very high	89.6	Confident	58 Å²	58	40.8 Å²	40.8	30%	0.304	22%	0.217	S	C	.	.	H	α-helix	trans	-60.1	-47.2	173.2	176.5	66.8	0	0	0	111.3	T597 V600 D688 I689 R690 D695 Q696	T597-L692 HydrophobicContact CG2-CD2 4.23Å; V600-L692 HydrophobicContact CG1-CD2 4.37Å; V600-L692 HydrophobicContact CG1-CG 4.46Å; D688-L692 PolarHBondContact O-N 2.8Å; I689-L692 WeakPolarHBondContact O-CB 3.42Å; I689-L692 PolarHBondContact O-N 3.19Å; R690-L692 VanDerWaalsContact C-N 3.28Å; R690-L692 PolarHBondContact O-N 3.24Å; L692-D695 PolarHBondContact O-N 2.95Å; L692-Q696 VanDerWaalsContact O-CG 3.28Å; L692-Q696 WeakPolarHBondContact O-CG 3.29Å; L692-Q696 PolarHBondContact O-N 3.24Å
693	V	91.8	Very high	90	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-42.7	177.9	176.2	0	0	0	0	111.6	V600 L610 F613 C614 L617 I689 R690 D695 Q696 I697	V600-V693 HydrophobicContact CB-CG2 4.17Å; V600-V693 HydrophobicContact CG1-CG2 3.65Å; V600-V693 HydrophobicContact CG2-CG2 3.35Å; L610-V693 WeakPolarHBondContact O-CG1 3.27Å; F613-V693 HydrophobicContact CD1-CG2 4.35Å; C614-V693 HydrophobicContact CB-CG1 3.75Å; L617-V693 HydrophobicContact CD1-CB 4.42Å; L617-V693 HydrophobicContact CD1-CG2 3.7Å; I689-V693 WeakPolarHBondContact O-CG2 3.49Å; I689-V693 PolarHBondContact O-N 3.29Å; R690-V693 CarbonylContact O-C 3.59Å; R690-V693 PolarHBondContact O-N 3.11Å; V693-D695 VanDerWaalsContact C-N 3.34Å; V693-D695 PolarHBondContact O-N 3.34Å; V693-Q696 PolarHBondContact O-N 2.95Å; V693-Q696 VanDerWaalsContact O-N 3.15Å; V693-I697 HydrophobicContact CG1-CD1 3.94Å; V693-I697 HydrophobicContact CG1-CG1 4.34Å; V693-I697 WeakPolarHBondContact O-CG1 3.44Å; V693-I697 PolarHBondContact O-N 3.33Å
694	E	90.4	Very high	90.2	Very high	48 Å²	48	44.1 Å²	44.1	22%	0.224	23%	0.231	C	C	.	.	H	α-helix	trans	-58.2	-44.8	176.8	-72.5	171.9	-156.3	0	0	111.7	R690 V691 I697 C698 I777	R690-E694 HydrophobicContact CG-CG 4.44Å; R690-E694 WeakPolarHBondContact CG-OE1 3.25Å; R690-E694 IonicContact NE-OE1 3.65Å; R690-E694 PolarHBondContact NE-OE1 3.43Å; R690-E694 WeakPolarHBondContact O-CB 3.22Å; R690-E694 VanDerWaalsContact O-CG 3.27Å; R690-E694 WeakPolarHBondContact O-CG 3.36Å; R690-E694 PolarHBondContact O-N 3.01Å; V691-E694 PolarHBondContact O-N 2.97Å; E694-I697 PolarHBondContact O-N 3.08Å; E694-C698 PolarHBondContact O-N 3.45Å; E694-C698 PolarHBondContact O-SG 3.37Å; E694-I777 HydrophobicContact CG-CD1 3.65Å; E694-I777 HydrophobicContact CG-CG1 3.85Å; E694-I777 HydrophobicContact CG-CG2 3.92Å; E694-I777 VanDerWaalsContact OE1-CD1 3.22Å; E694-I777 WeakPolarHBondContact OE1-CD1 3.45Å
695	D	90.6	Very high	90.4	Very high	79 Å²	79	40.9 Å²	40.9	42%	0.422	21%	0.208	S	C	.	.	H	α-helix	trans	-63.4	-41.7	174.9	-174	63.9	0	0	0	111.3	V691 L692 V693 I697 C698 N699	V691-D695 PolarHBondContact O-N 3Å; L692-D695 PolarHBondContact O-N 2.95Å; V693-D695 VanDerWaalsContact C-N 3.34Å; V693-D695 PolarHBondContact O-N 3.34Å; D695-I697 PolarHBondContact O-N 3.4Å; D695-C698 WeakPolarHBondContact O-CB 3.2Å; D695-C698 PolarHBondContact O-N 3.03Å; D695-N699 WeakPolarHBondContact O-CB 3.5Å; D695-N699 PolarHBondContact O-N 3.47Å; D695-N699 PolarHBondContact O-ND2 2.95Å; D695-N699 PolarHBondContact OD2-ND2 3.39Å
696	Q	90.5	Very high	90.5	Very high	49 Å²	49	41.2 Å²	41.2	23%	0.229	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-37.4	176.9	-65.1	-53.8	-33.9	0	0	113.2	L604 L610 L692 V693 C698 N699 H700	L604-Q696 HydrophobicContact CD2-CB 3.89Å; L604-Q696 HydrophobicContact CD2-CG 3.45Å; L604-Q696 VanDerWaalsContact CD2-CG 3.45Å; L610-Q696 HydrophobicContact CD1-CB 4.35Å; L692-Q696 VanDerWaalsContact O-CG 3.28Å; L692-Q696 WeakPolarHBondContact O-CG 3.29Å; L692-Q696 PolarHBondContact O-N 3.24Å; V693-Q696 PolarHBondContact O-N 2.95Å; V693-Q696 VanDerWaalsContact O-N 3.15Å; Q696-C698 VanDerWaalsContact C-N 3.35Å; Q696-N699 PolarHBondContact O-N 2.84Å; Q696-H700 VanDerWaalsContact O-CB 3.31Å; Q696-H700 WeakPolarHBondContact O-CB 3.34Å; Q696-H700 PolarHBondContact O-N 3.45Å
697	I	89.8	Confident	90.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-49	171.8	-70.6	167.6	0	0	0	109.2	L607 L610 C614 V693 E694 D695 N699 H700 L701 F770	L607-I697 HydrophobicContact CD1-CG1 4.37Å; L607-I697 HydrophobicContact CD1-CG2 4.11Å; L610-I697 HydrophobicContact CB-CG1 3.98Å; C614-I697 HydrophobicContact CB-CD1 4.1Å; V693-I697 HydrophobicContact CG1-CD1 3.94Å; V693-I697 HydrophobicContact CG1-CG1 4.34Å; V693-I697 WeakPolarHBondContact O-CG1 3.44Å; V693-I697 PolarHBondContact O-N 3.33Å; E694-I697 PolarHBondContact O-N 3.08Å; D695-I697 PolarHBondContact O-N 3.4Å; I697-N699 PolarHBondContact O-N 3.5Å; I697-H700 PolarHBondContact O-N 3.15Å; I697-L701 HydrophobicContact CG2-CD1 4.23Å; I697-L701 VanDerWaalsContact O-CG 3.28Å; I697-L701 WeakPolarHBondContact O-CG 3.35Å; I697-L701 PolarHBondContact O-N 3.02Å; I697-F770 HydrophobicContact CG2-CZ 4.32Å
698	C	90.1	Very high	90.3	Very high	12 Å²	12	44.6 Å²	44.6	8%	0.081	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-43.4	178.1	-69.6	0	0	0	0	112.2	E694 D695 Q696 L701 K702	E694-C698 PolarHBondContact O-N 3.45Å; E694-C698 PolarHBondContact O-SG 3.37Å; D695-C698 WeakPolarHBondContact O-CB 3.2Å; D695-C698 PolarHBondContact O-N 3.03Å; Q696-C698 VanDerWaalsContact C-N 3.35Å; C698-L701 PolarHBondContact O-N 3.38Å; C698-K702 VanDerWaalsContact O-CG 3.26Å; C698-K702 WeakPolarHBondContact O-CG 3.43Å; C698-K702 PolarHBondContact O-N 2.59Å
699	N	89.9	Confident	90.1	Very high	43 Å²	43	39.5 Å²	39.5	23%	0.23	20%	0.199	C	C	.	.	H	α-helix	trans	-67.8	-42.6	179.7	-67.4	-26.5	0	0	0	111.7	D695 Q696 I697 L701 K702 D703	D695-N699 WeakPolarHBondContact O-CB 3.5Å; D695-N699 PolarHBondContact O-N 3.47Å; D695-N699 PolarHBondContact O-ND2 2.95Å; D695-N699 PolarHBondContact OD2-ND2 3.39Å; Q696-N699 PolarHBondContact O-N 2.84Å; I697-N699 PolarHBondContact O-N 3.5Å; N699-L701 VanDerWaalsContact C-N 3.3Å; N699-L701 PolarHBondContact O-N 3.29Å; N699-K702 PolarHBondContact O-N 2.99Å; N699-D703 WeakPolarHBondContact O-CB 3.32Å; N699-D703 PolarHBondContact O-N 3.32Å
700	H	89.4	Confident	89.7	Confident	42 Å²	42	44.9 Å²	44.9	19%	0.194	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-42.9	174.8	-176.3	-73.3	0	0	0	111.8	Q696 I697 S704	Q696-H700 VanDerWaalsContact O-CB 3.31Å; Q696-H700 WeakPolarHBondContact O-CB 3.34Å; Q696-H700 PolarHBondContact O-N 3.45Å; I697-H700 PolarHBondContact O-N 3.15Å; H700-S704 WeakPolarHBondContact O-CB 3.38Å; H700-S704 PolarHBondContact O-N 3.34Å; H700-S704 PolarHBondContact O-OG 3.39Å
701	L	90.4	Very high	89.2	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-47.2	175.2	-67.4	174.2	0	0	0	111.4	L607 I697 C698 N699 D703 S704 V705 W762 V766 F767 F770 A781 V785	L607-L701 HydrophobicContact CD2-CD2 3.86Å; I697-L701 HydrophobicContact CG2-CD1 4.23Å; I697-L701 VanDerWaalsContact O-CG 3.28Å; I697-L701 WeakPolarHBondContact O-CG 3.35Å; I697-L701 PolarHBondContact O-N 3.02Å; C698-L701 PolarHBondContact O-N 3.38Å; N699-L701 VanDerWaalsContact C-N 3.3Å; N699-L701 PolarHBondContact O-N 3.29Å; L701-D703 PolarHBondContact O-N 3.41Å; L701-S704 PolarHBondContact O-N 2.82Å; L701-V705 WeakPolarHBondContact O-CB 3.09Å; L701-V705 WeakPolarHBondContact O-CG2 3.42Å; L701-V705 PolarHBondContact O-N 3.48Å; L701-W762 HydrophobicContact CD2-CH2 3.82Å; L701-W762 HydrophobicContact CD2-CZ3 4.4Å; L701-V766 HydrophobicContact CD2-CG1 3.83Å; L701-F767 HydrophobicContact CD1-CE1 4.32Å; L701-F770 HydrophobicContact CD1-CZ 4.16Å; L701-A781 HydrophobicContact CD1-CB 4.05Å; L701-V785 HydrophobicContact CB-CG2 3.51Å; L701-V785 HydrophobicContact CD1-CG2 3.87Å; L701-V785 HydrophobicContact CG-CG2 4.31Å
702	K	91.4	Very high	88.4	Confident	51 Å²	51	45.7 Å²	45.7	22%	0.222	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-42.7	177.5	-72.9	171.4	-173.9	167.3	0	112.4	C698 N699 S704 V705 T706 S784 H788	C698-K702 VanDerWaalsContact O-CG 3.26Å; C698-K702 WeakPolarHBondContact O-CG 3.43Å; C698-K702 PolarHBondContact O-N 2.59Å; N699-K702 PolarHBondContact O-N 2.99Å; K702-S704 VanDerWaalsContact C-N 3.34Å; K702-V705 PolarHBondContact O-N 3.07Å; K702-T706 WeakPolarHBondContact O-CB 3.28Å; K702-T706 PolarHBondContact O-N 2.99Å; K702-T706 PolarHBondContact O-OG1 3.19Å; K702-S784 WeakPolarHBondContact CE-OG 3.22Å; K702-S784 PolarHBondContact NZ-OG 3.16Å; K702-H788 HydrophobicContact CG-CB 4Å; K702-H788 PolarHBondContact O-NE2 2.96Å
703	D	90.5	Very high	87.4	Confident	96 Å²	96	48.4 Å²	48.4	51%	0.513	25%	0.246	S	C	.	.	H	α-helix	trans	-64.4	-41.5	177.9	-75.2	-10.4	0	0	0	111.3	N699 L701 T706 K707	N699-D703 WeakPolarHBondContact O-CB 3.32Å; N699-D703 PolarHBondContact O-N 3.32Å; L701-D703 PolarHBondContact O-N 3.41Å; D703-T706 PolarHBondContact O-N 2.97Å; D703-K707 WeakPolarHBondContact O-CG 3.45Å; D703-K707 PolarHBondContact O-N 2.84Å
704	S	89.1	Confident	86.5	Confident	15 Å²	15	49.3 Å²	49.3	11%	0.105	25%	0.25	C	C	.	.	H	α-helix	trans	-63.7	-46.8	176.1	-57.6	0	0	0	0	110.9	H700 L701 K702 T706 K707 F708	H700-S704 WeakPolarHBondContact O-CB 3.38Å; H700-S704 PolarHBondContact O-N 3.34Å; H700-S704 PolarHBondContact O-OG 3.39Å; L701-S704 PolarHBondContact O-N 2.82Å; K702-S704 VanDerWaalsContact C-N 3.34Å; S704-T706 VanDerWaalsContact C-N 3.31Å; S704-T706 PolarHBondContact O-N 2.74Å; S704-K707 WeakPolarHBondContact O-CB 3.31Å; S704-K707 PolarHBondContact O-N 3.14Å; S704-F708 WeakPolarHBondContact O-CD2 3.34Å; S704-F708 PolarHBondContact O-N 3.45Å; S704-F708 VanDerWaalsContact O-N 3.07Å
705	V	91.3	Very high	85.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-43.5	175	171.1	0	0	0	0	111.3	L701 K702 K707 F708 I709 L759 L763 V785 I789 L792	L701-V705 WeakPolarHBondContact O-CB 3.09Å; L701-V705 WeakPolarHBondContact O-CG2 3.42Å; L701-V705 PolarHBondContact O-N 3.48Å; K702-V705 PolarHBondContact O-N 3.07Å; V705-K707 VanDerWaalsContact C-N 3.31Å; V705-K707 PolarHBondContact O-N 2.99Å; V705-F708 PolarHBondContact O-N 2.96Å; V705-I709 HydrophobicContact CG1-CD1 3.88Å; V705-I709 HydrophobicContact CG1-CG1 4.46Å; V705-I709 WeakPolarHBondContact O-CG1 3.33Å; V705-I709 PolarHBondContact O-N 3.28Å; V705-L759 HydrophobicContact CB-CD1 4.27Å; V705-L759 HydrophobicContact CG1-CD1 4.38Å; V705-L759 HydrophobicContact CG1-CD2 4.34Å; V705-L759 HydrophobicContact CG2-CD1 3.87Å; V705-L763 HydrophobicContact CG2-CD1 4.45Å; V705-L763 HydrophobicContact CG2-CD2 4.26Å; V705-V785 HydrophobicContact CG2-CG1 3.79Å; V705-I789 HydrophobicContact CG1-CD1 4.43Å; V705-I789 HydrophobicContact CG1-CG1 3.5Å; V705-I789 VanDerWaalsContact CG1-CG1 3.5Å; V705-L792 HydrophobicContact CG1-CD1 3.96Å
706	T	90.7	Very high	83.3	Confident	33 Å²	33	48.1 Å²	48.1	20%	0.202	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-41.8	177.9	-54.1	0	0	0	0	111.2	K702 D703 S704 I709 N710 H788 L792	K702-T706 WeakPolarHBondContact O-CB 3.28Å; K702-T706 PolarHBondContact O-N 2.99Å; K702-T706 PolarHBondContact O-OG1 3.19Å; D703-T706 PolarHBondContact O-N 2.97Å; S704-T706 VanDerWaalsContact C-N 3.31Å; S704-T706 PolarHBondContact O-N 2.74Å; T706-I709 PolarHBondContact O-N 2.85Å; T706-N710 WeakPolarHBondContact CG2-ND2 3.48Å; T706-N710 VanDerWaalsContact O-CB 3.24Å; T706-N710 WeakPolarHBondContact O-CB 3.12Å; T706-N710 PolarHBondContact O-N 3.28Å; T706-N710 PolarHBondContact O-ND2 3.29Å; T706-H788 PolarHBondContact OG1-NE2 3.48Å; T706-L792 HydrophobicContact CG2-CD2 4.23Å
707	K	87.9	Confident	81	Confident	138 Å²	138	52 Å²	52	60%	0.6	27%	0.266	S	S	*	.	H	α-helix	trans	-62.1	-46.7	175.1	-68.7	166.8	-172.2	170.9	0	111.6	D703 S704 V705 I709 L711	D703-K707 WeakPolarHBondContact O-CG 3.45Å; D703-K707 PolarHBondContact O-N 2.84Å; S704-K707 WeakPolarHBondContact O-CB 3.31Å; S704-K707 PolarHBondContact O-N 3.14Å; V705-K707 VanDerWaalsContact C-N 3.31Å; V705-K707 PolarHBondContact O-N 2.99Å; K707-I709 PolarHBondContact O-N 2.84Å; K707-L711 WeakPolarHBondContact O-CD1 3.38Å; K707-L711 WeakPolarHBondContact O-CG 3.1Å; K707-L711 PolarHBondContact O-N 3.37Å
708	F	87.6	Confident	78.6	Confident	51 Å²	51	57.9 Å²	57.9	22%	0.224	30%	0.297	C	S	.	.	H	α-helix	trans	-59.7	-45.8	177.4	-80.4	-71.4	0	0	0	112.4	S704 V705 L711 S712 H758 L759 W762	S704-F708 WeakPolarHBondContact O-CD2 3.34Å; S704-F708 PolarHBondContact O-N 3.45Å; S704-F708 VanDerWaalsContact O-N 3.07Å; V705-F708 PolarHBondContact O-N 2.96Å; F708-L711 PolarHBondContact O-N 3.36Å; F708-S712 PolarHBondContact O-N 3.39Å; F708-S712 PolarHBondContact O-OG 3.42Å; F708-H758 HydrophobicContact CE1-CB 4.15Å; F708-L759 HydrophobicContact CB-CB 3.98Å; F708-L759 HydrophobicContact CB-CD1 3.98Å; F708-L759 HydrophobicContact CB-CD2 4.35Å; F708-L759 HydrophobicContact CB-CG 4.32Å; F708-L759 HydrophobicContact CD1-CB 4.3Å; F708-L759 HydrophobicContact CD2-CB 4.38Å; F708-L759 HydrophobicContact CD2-CD1 3.65Å; F708-L759 HydrophobicContact CE2-CD1 4.4Å; F708-L759 HydrophobicContact CG-CB 3.99Å; F708-L759 HydrophobicContact CG-CD1 3.99Å; F708-W762 HydrophobicContact CD2-CE3 4.46Å; F708-W762 AromaticContact CE2-CD2 3.93Å; F708-W762 HydrophobicContact CE2-CD2 3.93Å; F708-W762 AromaticContact CE2-CE3 3.88Å; F708-W762 HydrophobicContact CE2-CE3 3.88Å; F708-W762 HydrophobicContact CE2-CG 4.2Å; F708-W762 HydrophobicContact CE2-CZ3 4.47Å; F708-W762 HydrophobicContact CZ-CB 4.32Å; F708-W762 HydrophobicContact CZ-CD2 4.46Å; F708-W762 HydrophobicContact CZ-CG 4.26Å
709	I	85.5	Confident	76.3	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-73.3	-38.4	-177.1	-64.6	179	0	0	0	111.5	V705 T706 K707 L711 S712 I756 L759 I789 L792 L793 V796	V705-I709 HydrophobicContact CG1-CD1 3.88Å; V705-I709 HydrophobicContact CG1-CG1 4.46Å; V705-I709 WeakPolarHBondContact O-CG1 3.33Å; V705-I709 PolarHBondContact O-N 3.28Å; T706-I709 PolarHBondContact O-N 2.85Å; K707-I709 PolarHBondContact O-N 2.84Å; I709-L711 PolarHBondContact O-N 3.04Å; I709-S712 VanDerWaalsContact O-CB 3.24Å; I709-S712 WeakPolarHBondContact O-CB 3.33Å; I709-S712 PolarHBondContact O-N 2.86Å; I709-I756 HydrophobicContact CG1-CD1 3.96Å; I709-L759 HydrophobicContact CD1-CD2 4.19Å; I709-L759 HydrophobicContact CG1-CD2 3.96Å; I709-I789 HydrophobicContact CD1-CB 4.44Å; I709-I789 HydrophobicContact CD1-CG1 4.43Å; I709-I789 HydrophobicContact CD1-CG2 4.08Å; I709-L792 HydrophobicContact CB-CB 4.48Å; I709-L792 HydrophobicContact CB-CD1 4.31Å; I709-L792 HydrophobicContact CD1-CB 3.79Å; I709-L792 HydrophobicContact CD1-CD1 3.75Å; I709-L792 HydrophobicContact CD1-CG 4.46Å; I709-L792 HydrophobicContact CG1-CD1 4.46Å; I709-L792 HydrophobicContact CG2-CB 4.05Å; I709-L793 HydrophobicContact CD1-CD2 4.47Å; I709-L793 HydrophobicContact CG2-CD2 4.4Å; I709-V796 HydrophobicContact CG2-CG2 4.3Å
710	N	83.1	Confident	73.7	Confident	118 Å²	118	66.2 Å²	66.2	63%	0.631	34%	0.341	S	S	*	.	H	α-helix	trans	-67.3	-21.7	177	-72.3	-8.5	0	0	0	113.1	T706 S712	T706-N710 WeakPolarHBondContact CG2-ND2 3.48Å; T706-N710 VanDerWaalsContact O-CB 3.24Å; T706-N710 WeakPolarHBondContact O-CB 3.12Å; T706-N710 PolarHBondContact O-N 3.28Å; T706-N710 PolarHBondContact O-ND2 3.29Å; N710-S712 VanDerWaalsContact C-N 3.33Å
711	L	81.3	Confident	70.9	Confident	117 Å²	117	71.8 Å²	71.8	61%	0.613	37%	0.372	S	S	*	.	H	α-helix	trans	-77.3	-20.8	171.4	-71.2	166.9	0	0	0	112.2	K707 F708 I709 N713 N755	K707-L711 WeakPolarHBondContact O-CD1 3.38Å; K707-L711 WeakPolarHBondContact O-CG 3.1Å; K707-L711 PolarHBondContact O-N 3.37Å; F708-L711 PolarHBondContact O-N 3.36Å; I709-L711 PolarHBondContact O-N 3.04Å; L711-N713 PolarHBondContact O-N 3.39Å; L711-N713 VanDerWaalsContact O-N 3.13Å; L711-N755 PolarHBondContact O-ND2 3.03Å
712	S	74.3	Confident	68.1	Low	7 Å²	7	77.2 Å²	77.2	5%	0.049	41%	0.41	C	S	.	.	S	Bend	trans	-73.3	99.6	172.3	-57.8	0	0	0	0	109.2	F708 I709 N710 Y714 N755	F708-S712 PolarHBondContact O-N 3.39Å; F708-S712 PolarHBondContact O-OG 3.42Å; I709-S712 VanDerWaalsContact O-CB 3.24Å; I709-S712 WeakPolarHBondContact O-CB 3.33Å; I709-S712 PolarHBondContact O-N 2.86Å; N710-S712 VanDerWaalsContact C-N 3.33Å; S712-Y714 WeakPolarHBondContact O-CD2 3.28Å; S712-Y714 PolarHBondContact O-N 3.42Å; S712-N755 PolarHBondContact N-ND2 3.27Å; S712-N755 WeakPolarHBondContact OG-CB 3.4Å
713	N	69.2	Low	65.1	Low	116 Å²	116	77.5 Å²	77.5	62%	0.62	43%	0.428	S	S	*	.			trans	-79.5	120.1	173.9	-171.2	17.4	0	0	0	110.2	L711 D715	L711-N713 PolarHBondContact O-N 3.39Å; L711-N713 VanDerWaalsContact O-N 3.13Å; N713-D715 VanDerWaalsContact OD1-CB 3.31Å; N713-D715 WeakPolarHBondContact OD1-CB 3.42Å; N713-D715 PolarHBondContact OD1-N 2.82Å
714	Y	73.6	Confident	62	Low	19 Å²	19	81.8 Å²	81.8	8%	0.075	44%	0.444	C	S	.	.			trans	-103.9	-3	172.3	-62	-85.3	0	0	0	112.4	S712 V796 Q812 L813 D816	S712-Y714 WeakPolarHBondContact O-CD2 3.28Å; S712-Y714 PolarHBondContact O-N 3.42Å; Y714-V796 HydrophobicContact CD2-CB 4.32Å; Y714-V796 HydrophobicContact CD2-CG1 3.3Å; Y714-V796 HydrophobicContact CD2-CG2 4.01Å; Y714-V796 HydrophobicContact CE2-CG1 3.81Å; Y714-V796 HydrophobicContact CE2-CG2 3.95Å; Y714-V796 HydrophobicContact CG-CG1 3.72Å; Y714-Q812 HydrophobicContact CD1-CB 4.28Å; Y714-Q812 HydrophobicContact CD1-CG 4.2Å; Y714-Q812 HydrophobicContact CE1-CB 4.36Å; Y714-Q812 HydrophobicContact CE1-CG 3.98Å; Y714-L813 HydrophobicContact CD1-CB 4.29Å; Y714-L813 HydrophobicContact CE1-CB 4.07Å; Y714-L813 HydrophobicContact CE1-CD1 4.03Å; Y714-L813 HydrophobicContact CE2-CD1 4.36Å; Y714-D816 VanDerWaalsContact CE1-OD2 3.29Å; Y714-D816 WeakPolarHBondContact CE1-OD2 3.46Å; Y714-D816 PolarHBondContact OH-OD2 3.13Å
715	D	60.7	Low	59.2	Low	55 Å²	55	89 Å²	89	29%	0.294	48%	0.48	S	S	.	.	S	Bend	trans	-75.8	139.9	177.5	-68.8	-24.8	0	0	0	110.8	N713 I717	N713-D715 VanDerWaalsContact OD1-CB 3.31Å; N713-D715 WeakPolarHBondContact OD1-CB 3.42Å; N713-D715 PolarHBondContact OD1-N 2.82Å; D715-I717 PolarHBondContact O-N 2.96Å
716	D	53	Low	56.1	Low	46 Å²	46	96 Å²	96	25%	0.246	52%	0.518	C	S	.	.			trans	-6.6	97.1	-179.3	-77.3	-49.9	0	0	0	115.7	D718 S804 R898	D716-D718 VanDerWaalsContact C-N 3.31Å; D716-D718 PolarHBondContact O-N 3.17Å; D716-S804 PolarHBondContact OD2-OG 3.22Å; D716-R898 IonicContact OD1-CZ 3.13Å; D716-R898 IonicContact OD1-NE 3.96Å
717	I	43.4	Very low	53.1	Low	131 Å²	131	102.1 Å²	102.1	67%	0.672	55%	0.549	S	S	*	.			trans	-63.5	102	151	-60.2	173.1	0	0	0	104.9	D715 D719	D715-I717 PolarHBondContact O-N 2.96Å; I717-D719 PolarHBondContact O-N 3.02Å
718	D	38.7	Very low	50.1	Low	123 Å²	123	102.3 Å²	102.3	66%	0.658	56%	0.557	S	S	*	*			trans	-50.2	106.1	178	-91.8	-36.3	0	0	0	110.4	D716 N720	D716-D718 VanDerWaalsContact C-N 3.31Å; D716-D718 PolarHBondContact O-N 3.17Å; D718-N720 PolarHBondContact O-N 2.83Å
719	D	41	Very low	47.3	Very low	84 Å²	84	106 Å²	106	45%	0.449	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-58.8	-4.6	173.8	-84.7	-40.3	0	0	0	113.5	I717 N721 S722 R898	I717-D719 PolarHBondContact O-N 3.02Å; D719-N721 VanDerWaalsContact C-N 3.32Å; D719-N721 PolarHBondContact O-N 2.88Å; D719-S722 PolarHBondContact O-OG 3.32Å; D719-R898 IonicContact OD2-CZ 2.65Å; D719-R898 IonicContact OD2-NH1 3.7Å; D719-R898 IonicContact OD2-NH2 3.18Å; D719-R898 PolarHBondContact OD2-NH2 2.56Å
720	N	36	Very low	44.5	Very low	147 Å²	147	112.6 Å²	112.6	79%	0.786	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-78.5	-3.6	-176.1	-80.2	-13.2	0	0	0	115.4	D718	D718-N720 PolarHBondContact O-N 2.83Å
721	N	30.4	Very low	41.8	Very low	159 Å²	159	115.9 Å²	115.9	85%	0.85	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-99	10.1	175.1	-118.3	16	0	0	0	114.9	D719 G723	D719-N721 VanDerWaalsContact C-N 3.32Å; D719-N721 PolarHBondContact O-N 2.88Å; N721-G723 PolarHBondContact O-N 3.48Å
722	S	31.1	Very low	39.3	Very low	114 Å²	114	117.5 Å²	117.5	80%	0.797	64%	0.637	S	S	*	*			trans	-79.5	58.4	171.4	59.1	0	0	0	0	111.9	D719	D719-S722 PolarHBondContact O-OG 3.32Å
723	G	27.8	Very low	37.2	Very low	57 Å²	57	125 Å²	125	59%	0.588	68%	0.676	S	S	*	*	S	Bend	trans	-166.8	56.5	-174.2	0	0	0	0	0	115.9	N721	N721-G723 PolarHBondContact O-N 3.48Å
724	Q	25.6	Very low	35.2	Very low	185 Å²	185	127.6 Å²	127.6	86%	0.864	69%	0.685	S	S	*	*			trans	172.4	87.8	146.3	-99.2	167.7	27.8	0	0	109.4
725	I	30.3	Very low	33.2	Very low	168 Å²	168	133 Å²	133	86%	0.862	72%	0.72	S	S	*	*			trans	-125	116.5	158.3	-58.8	-177.9	0	0	0	107.5	N727	I725-N727 PolarHBondContact O-N 3.15Å
726	N	27.2	Very low	31.7	Very low	147 Å²	147	137.1 Å²	137.1	79%	0.786	75%	0.747	S	S	*	*			trans	-45.8	121.9	-171.8	-73.8	-36.2	0	0	0	114.4	N728	N726-N728 PolarHBondContact O-N 3.13Å
727	N	27.6	Very low	30.6	Very low	160 Å²	160	142.8 Å²	142.8	86%	0.856	78%	0.777	S	S	*	*			trans	-64.1	98.5	160.4	-72.9	-24	0	0	0	109.2	I725	I725-N727 PolarHBondContact O-N 3.15Å
728	N	25.6	Very low	29.8	Very low	142 Å²	142	139.5 Å²	139.5	76%	0.759	78%	0.775	S	S	*	*			trans	-155.3	98.4	160.3	-98	-17	0	0	0	108.6	N726	N726-N728 PolarHBondContact O-N 3.13Å
729	T	27.6	Very low	29.3	Very low	128 Å²	128	144.9 Å²	144.9	79%	0.785	79%	0.786	S	S	*	*				173.3	118.2	118.2	28.3	0	0	0	0	111.9
730	N	27.7	Very low	28.8	Very low	141 Å²	141	148 Å²	148	75%	0.754	80%	0.803	S	S	*	*			trans	43.5	101.9	134.9	-60.9	-17.7	0	0	0	118.4
731	K	26.8	Very low	28.2	Very low	188 Å²	188	144.9 Å²	144.9	82%	0.817	81%	0.806	S	S	*	*				72.3	118.9	85.1	-88	-168.5	179	179.5	0	114.3
732	N	27.8	Very low	28.1	Very low	150 Å²	150	143.1 Å²	143.1	80%	0.802	80%	0.801	S	S	*	*			trans	92.2	90.4	153.6	-50.5	-11.2	0	0	0	116.2
733	D	31.1	Very low	27.8	Very low	165 Å²	165	143.1 Å²	143.1	88%	0.882	80%	0.801	S	S	*	*				-151	139.8	107.2	-144.7	-7.8	0	0	0	111.2
734	Q	27	Very low	27.8	Very low	171 Å²	171	151.3 Å²	151.3	80%	0.799	82%	0.815	S	S	*	*			trans	-94.8	140.8	-175	-72.1	174.1	-6.4	0	0	110.3
735	T	30.9	Very low	28	Very low	131 Å²	131	148.5 Å²	148.5	80%	0.804	81%	0.811	S	S	*	*				158.5	90.3	128.1	51.9	0	0	0	0	108.3
736	V	28.3	Very low	28.1	Very low	142 Å²	142	144.4 Å²	144.4	86%	0.861	80%	0.803	S	S	*	*				45	99.7	108.9	-170.8	0	0	0	0	114.4
737	D	30.7	Very low	28.4	Very low	166 Å²	166	145.3 Å²	145.3	89%	0.888	81%	0.807	S	S	*	*				-147.8	126	122	-136.6	-10.8	0	0	0	110.1
738	G	26.2	Very low	28.9	Very low	61 Å²	61	143.1 Å²	143.1	63%	0.629	80%	0.8	S	S	*	*			trans	-97.6	129.6	-170.3	0	0	0	0	0	112.2
739	R	28	Very low	30	Very low	236 Å²	236	145.8 Å²	145.8	89%	0.891	81%	0.805	S	S	*	*			trans	-172.6	128.3	132.6	-107.6	164.8	179.2	171.9	0.7	112.6
740	N	30.1	Very low	31.8	Very low	149 Å²	149	143.2 Å²	143.2	80%	0.797	79%	0.786	S	S	*	*			trans	69.1	90	158.4	-63.8	0.8	0	0	0	117.7	V742	N740-V742 PolarHBondContact O-N 3.38Å
741	G	24.9	Very low	34.3	Very low	83 Å²	83	144.5 Å²	144.5	86%	0.856	78%	0.784	S	S	*	*			trans	-59.8	120.1	164.6	0	0	0	0	0	112
742	V	28.4	Very low	36.9	Very low	122 Å²	122	137.8 Å²	137.8	74%	0.739	76%	0.76	S	S	*	*			trans	-108.4	124.2	151.7	-178.7	0	0	0	0	104.9	N740 Y744	N740-V742 PolarHBondContact O-N 3.38Å; V742-Y744 PolarHBondContact O-N 2.97Å
743	S	25	Very low	39.6	Very low	114 Å²	114	132 Å²	132	80%	0.797	73%	0.73	S	S	*	*			trans	-47.8	112.1	-176.7	-61.4	0	0	0	0	111.7	T745	S743-T745 PolarHBondContact O-N 3.46Å
744	Y	26.6	Very low	42.2	Very low	228 Å²	228	130.5 Å²	130.5	89%	0.894	72%	0.718	S	S	*	*			trans	-70	93.2	167.2	-68.7	-85.9	0	0	0	108.1	V742 A746	V742-Y744 PolarHBondContact O-N 2.97Å; Y744-A746 PolarHBondContact O-N 2.87Å
745	T	29.4	Very low	45.1	Very low	126 Å²	126	124.4 Å²	124.4	77%	0.773	69%	0.691	S	S	*	*			trans	-62.2	120.3	151	47.5	0	0	0	0	105.8	S743 N747	S743-T745 PolarHBondContact O-N 3.46Å; T745-N747 PolarHBondContact O-N 3.42Å
746	A	33.2	Very low	47.8	Very low	83 Å²	83	118.2 Å²	118.2	69%	0.686	65%	0.653	S	S	*	*			trans	-52.6	116.2	-174.9	0	0	0	0	0	109.7	Y744 T748	Y744-A746 PolarHBondContact O-N 2.87Å; A746-T748 PolarHBondContact O-N 3.28Å
747	N	32.9	Very low	50.7	Low	165 Å²	165	114 Å²	114	88%	0.882	63%	0.627	S	S	*	*			trans	-68.5	65	173.6	-117.3	1.7	0	0	0	108.8	T745 K749	T745-N747 PolarHBondContact O-N 3.42Å; N747-K749 PolarHBondContact O-N 3.25Å
748	T	39	Very low	53.5	Low	115 Å²	115	110.1 Å²	110.1	71%	0.706	60%	0.604	S	S	*	*			trans	-62.4	103.7	164.5	41	0	0	0	0	105.9	A746 I750	A746-T748 PolarHBondContact O-N 3.28Å; T748-I750 WeakPolarHBondContact O-CG1 3.26Å; T748-I750 PolarHBondContact O-N 3.43Å
749	K	48.2	Very low	56.6	Low	197 Å²	197	107.2 Å²	107.2	86%	0.857	57%	0.574	S	S	*	*			trans	-44.6	102.8	175	-77.5	178.2	175.9	177.5	0	108.5	N747 K751	N747-K749 PolarHBondContact O-N 3.25Å; K749-K751 PolarHBondContact O-N 3.31Å; K749-K751 VanDerWaalsContact O-N 3.11Å
750	I	66.4	Low	59.6	Low	75 Å²	75	96.6 Å²	96.6	39%	0.385	54%	0.535	S	S	.	.			trans	-64.4	114.4	179.3	-58.5	175.2	0	0	0	105.6	T748 I815	T748-I750 WeakPolarHBondContact O-CG1 3.26Å; T748-I750 PolarHBondContact O-N 3.43Å; I750-I815 HydrophobicContact CB-CD1 3.66Å; I750-I815 HydrophobicContact CG2-CD1 3.49Å; I750-I815 VanDerWaalsContact CG2-CD1 3.49Å
751	K	78.9	Confident	62.5	Low	167 Å²	167	92.7 Å²	92.7	73%	0.726	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-86	155.4	178.5	-72.5	-178.5	179.4	178	0	109	K749 Q812	K749-K751 PolarHBondContact O-N 3.31Å; K749-K751 VanDerWaalsContact O-N 3.11Å; K751-Q812 PolarHBondContact O-NE2 3.21Å; K751-Q812 PolarHBondContact O-OE1 3.41Å
752	P	81.8	Confident	65.7	Low	48 Å²	48	92 Å²	92	31%	0.312	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-55	147.5	170.4	-19.3	29.3	0	0	0	111.1	E754 V757 I815 D816 L819	P752-E754 PolarHBondContact O-N 2.7Å; P752-V757 HydrophobicContact CB-CG2 3.85Å; P752-I815 HydrophobicContact CB-CG2 4.05Å; P752-I815 HydrophobicContact CG-CG2 3.72Å; P752-D816 WeakPolarHBondContact CA-OD1 3.46Å; P752-L819 HydrophobicContact CB-CD2 3.89Å; P752-L819 HydrophobicContact CG-CD2 4.31Å
753	T	84.9	Confident	68.8	Low	27 Å²	27	86.2 Å²	86.2	17%	0.166	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-59.9	131.1	179.1	-54.4	0	0	0	0	108.6	N755 I756 V757 Q812 D816	T753-N755 HydrophobicContact CG2-CB 4.38Å; T753-N755 PolarHBondContact O-N 3.42Å; T753-N755 VanDerWaalsContact O-N 3.12Å; T753-I756 PolarHBondContact O-N 2.81Å; T753-V757 PolarHBondContact O-N 2.82Å; T753-V757 VanDerWaalsContact O-N 3.16Å; T753-Q812 VanDerWaalsContact N-NE2 3.14Å; T753-Q812 WeakPolarHBondContact OG1-CG 3.33Å; T753-Q812 PolarHBondContact OG1-NE2 3.11Å; T753-D816 VanDerWaalsContact CB-OD2 3.28Å; T753-D816 WeakPolarHBondContact CB-OD2 3.32Å; T753-D816 PolarHBondContact N-OD1 3.29Å; T753-D816 PolarHBondContact OG1-OD1 3.38Å; T753-D816 PolarHBondContact OG1-OD2 3.5Å
754	E	86.4	Confident	71.9	Confident	135 Å²	135	86.2 Å²	86.2	63%	0.631	44%	0.441	S	S	*	.	H	α-helix	trans	-53.8	-40.1	-173.8	-160	-169.6	154.6	0	0	112	P752 I756 V757 H758	P752-E754 PolarHBondContact O-N 2.7Å; E754-I756 VanDerWaalsContact C-N 3.32Å; E754-I756 PolarHBondContact O-N 2.86Å; E754-V757 WeakPolarHBondContact O-CB 3.25Å; E754-V757 PolarHBondContact O-N 3.43Å; E754-H758 WeakPolarHBondContact CG-NE2 3.16Å; E754-H758 PolarHBondContact O-CD2 3.45Å; E754-H758 PolarHBondContact O-N 3.38Å; E754-H758 IonicContact OE1-CD2 3.86Å; E754-H758 IonicContact OE1-CE1 3.72Å; E754-H758 IonicContact OE1-NE2 2.69Å; E754-H758 PolarHBondContact OE1-NE2 2.8Å
755	N	86.7	Confident	74.9	Confident	43 Å²	43	79 Å²	79	23%	0.23	42%	0.424	C	S	.	.	H	α-helix	trans	-61.5	-34.2	177	-64.3	-30.8	0	0	0	113.8	L711 S712 T753 L759	L711-N755 PolarHBondContact O-ND2 3.03Å; S712-N755 PolarHBondContact N-ND2 3.27Å; S712-N755 WeakPolarHBondContact OG-CB 3.4Å; T753-N755 HydrophobicContact CG2-CB 4.38Å; T753-N755 PolarHBondContact O-N 3.42Å; T753-N755 VanDerWaalsContact O-N 3.12Å; N755-L759 VanDerWaalsContact O-CB 3.25Å; N755-L759 WeakPolarHBondContact O-CB 3.3Å; N755-L759 PolarHBondContact O-N 2.77Å
756	I	87.6	Confident	77.7	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-76.6	-34.5	177.3	-58.9	-65.1	0	0	0	110.6	I709 T753 E754 L759 T760 D816 L819	I709-I756 HydrophobicContact CG1-CD1 3.96Å; T753-I756 PolarHBondContact O-N 2.81Å; E754-I756 VanDerWaalsContact C-N 3.32Å; E754-I756 PolarHBondContact O-N 2.86Å; I756-L759 HydrophobicContact CD1-CD2 4.3Å; I756-L759 PolarHBondContact O-N 2.67Å; I756-T760 WeakPolarHBondContact O-CG2 3.36Å; I756-T760 PolarHBondContact O-N 3.18Å; I756-T760 PolarHBondContact O-OG1 3.46Å; I756-D816 HydrophobicContact CB-CB 4.42Å; I756-D816 HydrophobicContact CG1-CB 4.05Å; I756-D816 HydrophobicContact CG2-CB 4.2Å; I756-L819 HydrophobicContact CG2-CD2 4.13Å
757	V	89.7	Confident	80.4	Confident	55 Å²	55	70 Å²	70	33%	0.333	36%	0.36	S	S	.	.	H	α-helix	trans	-63	-45.9	171.1	-178.2	0	0	0	0	110.7	P752 T753 E754 T760 S761 L819	P752-V757 HydrophobicContact CB-CG2 3.85Å; T753-V757 PolarHBondContact O-N 2.82Å; T753-V757 VanDerWaalsContact O-N 3.16Å; E754-V757 WeakPolarHBondContact O-CB 3.25Å; E754-V757 PolarHBondContact O-N 3.43Å; V757-T760 PolarHBondContact O-N 3.38Å; V757-T760 PolarHBondContact O-OG1 3Å; V757-T760 VanDerWaalsContact O-OG1 3.05Å; V757-S761 WeakPolarHBondContact O-CB 3.16Å; V757-S761 PolarHBondContact O-N 2.83Å; V757-S761 PolarHBondContact O-OG 2.84Å; V757-L819 HydrophobicContact CB-CD2 4.33Å; V757-L819 HydrophobicContact CG2-CD2 3.71Å
758	H	89.9	Confident	82.9	Confident	84 Å²	84	67 Å²	67	39%	0.389	34%	0.344	S	S	.	.	H	α-helix	trans	-64.2	-41.8	175.6	-71.5	-49.5	0	0	0	111.8	F708 E754 S761 W762	F708-H758 HydrophobicContact CE1-CB 4.15Å; E754-H758 WeakPolarHBondContact CG-NE2 3.16Å; E754-H758 PolarHBondContact O-CD2 3.45Å; E754-H758 PolarHBondContact O-N 3.38Å; E754-H758 IonicContact OE1-CD2 3.86Å; E754-H758 IonicContact OE1-CE1 3.72Å; E754-H758 IonicContact OE1-NE2 2.69Å; E754-H758 PolarHBondContact OE1-NE2 2.8Å; H758-S761 PolarHBondContact O-N 2.88Å; H758-W762 WeakPolarHBondContact O-CB 3.39Å; H758-W762 PolarHBondContact O-N 2.83Å
759	L	91.6	Very high	85.1	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-57.9	-50.5	175.6	172	63	0	0	0	112	V705 F708 I709 N755 I756 W762 L763	V705-L759 HydrophobicContact CB-CD1 4.27Å; V705-L759 HydrophobicContact CG1-CD1 4.38Å; V705-L759 HydrophobicContact CG1-CD2 4.34Å; V705-L759 HydrophobicContact CG2-CD1 3.87Å; F708-L759 HydrophobicContact CB-CB 3.98Å; F708-L759 HydrophobicContact CB-CD1 3.98Å; F708-L759 HydrophobicContact CB-CD2 4.35Å; F708-L759 HydrophobicContact CB-CG 4.32Å; F708-L759 HydrophobicContact CD1-CB 4.3Å; F708-L759 HydrophobicContact CD2-CB 4.38Å; F708-L759 HydrophobicContact CD2-CD1 3.65Å; F708-L759 HydrophobicContact CE2-CD1 4.4Å; F708-L759 HydrophobicContact CG-CB 3.99Å; F708-L759 HydrophobicContact CG-CD1 3.99Å; I709-L759 HydrophobicContact CD1-CD2 4.19Å; I709-L759 HydrophobicContact CG1-CD2 3.96Å; N755-L759 VanDerWaalsContact O-CB 3.25Å; N755-L759 WeakPolarHBondContact O-CB 3.3Å; N755-L759 PolarHBondContact O-N 2.77Å; I756-L759 HydrophobicContact CD1-CD2 4.3Å; I756-L759 PolarHBondContact O-N 2.67Å; L759-W762 HydrophobicContact CD1-CE3 4.29Å; L759-W762 PolarHBondContact O-N 3.06Å; L759-L763 HydrophobicContact CD1-CD1 3.88Å; L759-L763 HydrophobicContact CD1-CG 4.02Å; L759-L763 HydrophobicContact CG-CD1 4.1Å; L759-L763 WeakPolarHBondContact O-CB 3.47Å; L759-L763 WeakPolarHBondContact O-CG 3.3Å; L759-L763 PolarHBondContact O-N 3.4Å
760	T	90.7	Very high	86.7	Confident	12 Å²	12	55.6 Å²	55.6	7%	0.074	29%	0.293	C	S	.	.	H	α-helix	trans	-67.9	-38	-178.1	49.1	0	0	0	0	111.9	I756 V757 K764 L819 F823	I756-T760 WeakPolarHBondContact O-CG2 3.36Å; I756-T760 PolarHBondContact O-N 3.18Å; I756-T760 PolarHBondContact O-OG1 3.46Å; V757-T760 PolarHBondContact O-N 3.38Å; V757-T760 PolarHBondContact O-OG1 3Å; V757-T760 VanDerWaalsContact O-OG1 3.05Å; T760-K764 WeakPolarHBondContact O-CB 3.08Å; T760-K764 PolarHBondContact O-N 3.37Å; T760-L819 HydrophobicContact CG2-CG 4.23Å; T760-F823 HydrophobicContact CG2-CB 3.98Å; T760-F823 HydrophobicContact CG2-CD2 4.44Å; T760-F823 HydrophobicContact CG2-CG 4.17Å
761	S	91	Very high	87.2	Confident	67 Å²	67	56.7 Å²	56.7	47%	0.469	31%	0.307	S	S	.	.	H	α-helix	trans	-65.2	-42.9	174.1	-56.9	0	0	0	0	111.7	V757 H758 K764 S765	V757-S761 WeakPolarHBondContact O-CB 3.16Å; V757-S761 PolarHBondContact O-N 2.83Å; V757-S761 PolarHBondContact O-OG 2.84Å; H758-S761 PolarHBondContact O-N 2.88Å; S761-K764 PolarHBondContact O-N 3.25Å; S761-S765 PolarHBondContact O-N 3.47Å
762	W	92	Very high	87.2	Confident	70 Å²	70	52 Å²	52	27%	0.265	29%	0.29	S	S	.	.	H	α-helix	trans	-64.7	-48.3	176.1	175.5	77.6	0	0	0	111.6	L701 F708 H758 L759 K764 S765 V766	L701-W762 HydrophobicContact CD2-CH2 3.82Å; L701-W762 HydrophobicContact CD2-CZ3 4.4Å; F708-W762 HydrophobicContact CD2-CE3 4.46Å; F708-W762 AromaticContact CE2-CD2 3.93Å; F708-W762 HydrophobicContact CE2-CD2 3.93Å; F708-W762 AromaticContact CE2-CE3 3.88Å; F708-W762 HydrophobicContact CE2-CE3 3.88Å; F708-W762 HydrophobicContact CE2-CG 4.2Å; F708-W762 HydrophobicContact CE2-CZ3 4.47Å; F708-W762 HydrophobicContact CZ-CB 4.32Å; F708-W762 HydrophobicContact CZ-CD2 4.46Å; F708-W762 HydrophobicContact CZ-CG 4.26Å; H758-W762 WeakPolarHBondContact O-CB 3.39Å; H758-W762 PolarHBondContact O-N 2.83Å; L759-W762 HydrophobicContact CD1-CE3 4.29Å; L759-W762 PolarHBondContact O-N 3.06Å; W762-K764 VanDerWaalsContact C-N 3.29Å; W762-K764 PolarHBondContact O-N 2.63Å; W762-S765 WeakPolarHBondContact O-CB 3.39Å; W762-S765 PolarHBondContact O-N 3.11Å; W762-S765 VanDerWaalsContact O-N 3.14Å; W762-V766 HydrophobicContact CD2-CG2 4Å; W762-V766 HydrophobicContact CG-CG2 4.41Å; W762-V766 HydrophobicContact CH2-CG2 4.34Å; W762-V766 HydrophobicContact CZ2-CG2 3.74Å; W762-V766 WeakPolarHBondContact O-CG2 3.45Å; W762-V766 PolarHBondContact O-N 3.2Å
763	L	92.4	Very high	87.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-41	176.6	-78.4	175.3	0	0	0	111.9	V705 L759 V766 F767 V785 I789 F823	V705-L763 HydrophobicContact CG2-CD1 4.45Å; V705-L763 HydrophobicContact CG2-CD2 4.26Å; L759-L763 HydrophobicContact CD1-CD1 3.88Å; L759-L763 HydrophobicContact CD1-CG 4.02Å; L759-L763 HydrophobicContact CG-CD1 4.1Å; L759-L763 WeakPolarHBondContact O-CB 3.47Å; L759-L763 WeakPolarHBondContact O-CG 3.3Å; L759-L763 PolarHBondContact O-N 3.4Å; L763-V766 PolarHBondContact O-N 3.43Å; L763-F767 HydrophobicContact CB-CD2 4.33Å; L763-F767 HydrophobicContact CB-CE2 4.09Å; L763-F767 HydrophobicContact CD2-CE2 4.04Å; L763-F767 HydrophobicContact CD2-CZ 4.17Å; L763-F767 WeakPolarHBondContact O-CB 3.35Å; L763-F767 WeakPolarHBondContact O-CD2 3.39Å; L763-F767 WeakPolarHBondContact O-CG 3.36Å; L763-F767 PolarHBondContact O-N 3.34Å; L763-V785 HydrophobicContact CD1-CG1 3.88Å; L763-V785 HydrophobicContact CD2-CG1 3.85Å; L763-I789 HydrophobicContact CD1-CD1 3.74Å; L763-F823 HydrophobicContact CB-CE2 4.08Å; L763-F823 HydrophobicContact CB-CZ 3.76Å; L763-F823 HydrophobicContact CD1-CE1 4.34Å; L763-F823 HydrophobicContact CD1-CZ 4.37Å
764	K	90	Very high	87.2	Confident	113 Å²	113	50.2 Å²	50.2	49%	0.491	28%	0.278	S	S	.	.	H	α-helix	trans	-58.7	-51.4	173.7	-176.8	172.6	179.9	175	0	110.7	T760 S761 W762 V766 F767 D768 F823	T760-K764 WeakPolarHBondContact O-CB 3.08Å; T760-K764 PolarHBondContact O-N 3.37Å; S761-K764 PolarHBondContact O-N 3.25Å; W762-K764 VanDerWaalsContact C-N 3.29Å; W762-K764 PolarHBondContact O-N 2.63Å; K764-V766 VanDerWaalsContact C-N 3.27Å; K764-V766 PolarHBondContact O-N 3.35Å; K764-F767 PolarHBondContact O-N 2.91Å; K764-D768 WeakPolarHBondContact O-CB 3.42Å; K764-D768 PolarHBondContact O-N 3Å; K764-F823 HydrophobicContact CB-CE2 4.21Å
765	S	90.2	Very high	87.1	Confident	77 Å²	77	48.1 Å²	48.1	54%	0.538	28%	0.276	S	S	.	.	H	α-helix	trans	-58.3	-37.8	176.9	-178.3	0	0	0	0	113.1	S761 W762 S769	S761-S765 PolarHBondContact O-N 3.47Å; W762-S765 WeakPolarHBondContact O-CB 3.39Å; W762-S765 PolarHBondContact O-N 3.11Å; W762-S765 VanDerWaalsContact O-N 3.14Å; S765-S769 PolarHBondContact O-N 3.03Å
766	V	88.7	Confident	87	Confident	12 Å²	12	54 Å²	54	7%	0.073	30%	0.299	C	S	.	.	H	α-helix	trans	-71.2	-46	178.7	172.7	0	0	0	0	111	L607 L701 W762 L763 K764 D768 S769 F770	L607-V766 HydrophobicContact CD2-CG1 3.86Å; L701-V766 HydrophobicContact CD2-CG1 3.83Å; W762-V766 HydrophobicContact CD2-CG2 4Å; W762-V766 HydrophobicContact CG-CG2 4.41Å; W762-V766 HydrophobicContact CH2-CG2 4.34Å; W762-V766 HydrophobicContact CZ2-CG2 3.74Å; W762-V766 WeakPolarHBondContact O-CG2 3.45Å; W762-V766 PolarHBondContact O-N 3.2Å; L763-V766 PolarHBondContact O-N 3.43Å; K764-V766 VanDerWaalsContact C-N 3.27Å; K764-V766 PolarHBondContact O-N 3.35Å; V766-D768 VanDerWaalsContact C-N 3.33Å; V766-D768 PolarHBondContact O-N 2.98Å; V766-S769 WeakPolarHBondContact O-CA 3.48Å; V766-S769 WeakPolarHBondContact O-CB 3.38Å; V766-S769 PolarHBondContact O-N 2.91Å; V766-S769 VanDerWaalsContact O-N 3.08Å; V766-S769 PolarHBondContact O-OG 3.22Å; V766-F770 HydrophobicContact CG1-CD1 4.41Å; V766-F770 HydrophobicContact CG1-CE1 3.61Å; V766-F770 HydrophobicContact CG1-CZ 3.95Å; V766-F770 WeakPolarHBondContact O-CD1 3.34Å; V766-F770 PolarHBondContact O-N 3.28Å
767	F	89.5	Confident	86.9	Confident	9 Å²	9	54.4 Å²	54.4	4%	0.039	30%	0.301	C	S	.	.	H	α-helix	trans	-68.2	-32.3	177.5	-66	-45.4	0	0	0	112.7	L701 L763 K764 S769 F770 C782 V785 F823 P828 V829	L701-F767 HydrophobicContact CD1-CE1 4.32Å; L763-F767 HydrophobicContact CB-CD2 4.33Å; L763-F767 HydrophobicContact CB-CE2 4.09Å; L763-F767 HydrophobicContact CD2-CE2 4.04Å; L763-F767 HydrophobicContact CD2-CZ 4.17Å; L763-F767 WeakPolarHBondContact O-CB 3.35Å; L763-F767 WeakPolarHBondContact O-CD2 3.39Å; L763-F767 WeakPolarHBondContact O-CG 3.36Å; L763-F767 PolarHBondContact O-N 3.34Å; K764-F767 PolarHBondContact O-N 2.91Å; F767-S769 PolarHBondContact O-N 3Å; F767-F770 AromaticContact CD1-CD2 3.76Å; F767-F770 HydrophobicContact CD1-CD2 3.76Å; F767-F770 AromaticContact CD1-CE2 3.61Å; F767-F770 HydrophobicContact CD1-CE2 3.61Å; F767-F770 HydrophobicContact CD1-CG 4.48Å; F767-F770 HydrophobicContact CD1-CZ 4.23Å; F767-F770 HydrophobicContact CE1-CD2 4.38Å; F767-F770 AromaticContact CE1-CE2 3.83Å; F767-F770 HydrophobicContact CE1-CE2 3.83Å; F767-F770 HydrophobicContact CE1-CZ 4.39Å; F767-F770 VanDerWaalsContact O-CB 3.32Å; F767-F770 WeakPolarHBondContact O-CB 3.43Å; F767-F770 PolarHBondContact O-N 3.38Å; F767-C782 HydrophobicContact CE1-CB 4.07Å; F767-C782 HydrophobicContact CE2-CB 4.34Å; F767-C782 HydrophobicContact CZ-CB 3.92Å; F767-V785 HydrophobicContact CZ-CB 4.41Å; F767-V785 HydrophobicContact CZ-CG2 4.49Å; F767-F823 AromaticContact CD2-CZ 3.88Å; F767-F823 HydrophobicContact CD2-CZ 3.88Å; F767-F823 HydrophobicContact CE2-CE1 4.37Å; F767-F823 AromaticContact CE2-CZ 3.84Å; F767-F823 HydrophobicContact CE2-CZ 3.84Å; F767-P828 HydrophobicContact CD2-CB 3.91Å; F767-V829 HydrophobicContact CB-CG2 3.96Å; F767-V829 HydrophobicContact CD1-CG2 3.9Å; F767-V829 HydrophobicContact CG-CG2 3.88Å
768	D	85.6	Confident	86.8	Confident	101 Å²	101	52 Å²	52	54%	0.54	29%	0.288	S	S	.	.	H	α-helix	trans	-62.6	-30.9	171.2	-69.1	-20.1	0	0	0	111.1	K764 V766 F770	K764-D768 WeakPolarHBondContact O-CB 3.42Å; K764-D768 PolarHBondContact O-N 3Å; V766-D768 VanDerWaalsContact C-N 3.33Å; V766-D768 PolarHBondContact O-N 2.98Å; D768-F770 VanDerWaalsContact C-N 3.26Å; D768-F770 PolarHBondContact O-N 3.35Å
769	S	84	Confident	86.7	Confident	63 Å²	63	50.5 Å²	50.5	44%	0.441	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-76.5	-6.5	174.4	78.5	0	0	0	0	114.5	M611 S765 V766 F767 S771	M611-S769 WeakPolarHBondContact CE-O 3.47Å; S765-S769 PolarHBondContact O-N 3.03Å; V766-S769 WeakPolarHBondContact O-CA 3.48Å; V766-S769 WeakPolarHBondContact O-CB 3.38Å; V766-S769 PolarHBondContact O-N 2.91Å; V766-S769 VanDerWaalsContact O-N 3.08Å; V766-S769 PolarHBondContact O-OG 3.22Å; F767-S769 PolarHBondContact O-N 3Å; S769-S771 PolarHBondContact O-N 3.44Å
770	F	83.5	Confident	86.6	Confident	10 Å²	10	54.7 Å²	54.7	4%	0.044	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-81.3	13	179.9	-72.2	8.9	0	0	0	113.3	M611 I697 L701 V766 F767 D768 N772 L773 A778 A781	M611-F770 HydrophobicContact CE-CD1 3.36Å; M611-F770 HydrophobicContact CE-CE1 3.65Å; M611-F770 HydrophobicContact CE-CG 4.48Å; M611-F770 HydrophobicContact CG-CE1 4.26Å; M611-F770 HydrophobicContact SD-CD1 3.93Å; M611-F770 HydrophobicContact SD-CE1 3.52Å; M611-F770 VanDerWaalsContact SD-CE1 3.52Å; I697-F770 HydrophobicContact CG2-CZ 4.32Å; L701-F770 HydrophobicContact CD1-CZ 4.16Å; V766-F770 HydrophobicContact CG1-CD1 4.41Å; V766-F770 HydrophobicContact CG1-CE1 3.61Å; V766-F770 HydrophobicContact CG1-CZ 3.95Å; V766-F770 WeakPolarHBondContact O-CD1 3.34Å; V766-F770 PolarHBondContact O-N 3.28Å; F767-F770 AromaticContact CD1-CD2 3.76Å; F767-F770 HydrophobicContact CD1-CD2 3.76Å; F767-F770 AromaticContact CD1-CE2 3.61Å; F767-F770 HydrophobicContact CD1-CE2 3.61Å; F767-F770 HydrophobicContact CD1-CG 4.48Å; F767-F770 HydrophobicContact CD1-CZ 4.23Å; F767-F770 HydrophobicContact CE1-CD2 4.38Å; F767-F770 AromaticContact CE1-CE2 3.83Å; F767-F770 HydrophobicContact CE1-CE2 3.83Å; F767-F770 HydrophobicContact CE1-CZ 4.39Å; F767-F770 VanDerWaalsContact O-CB 3.32Å; F767-F770 WeakPolarHBondContact O-CB 3.43Å; F767-F770 PolarHBondContact O-N 3.38Å; D768-F770 VanDerWaalsContact C-N 3.26Å; D768-F770 PolarHBondContact O-N 3.35Å; F770-N772 PolarHBondContact O-N 3.38Å; F770-L773 HydrophobicContact CB-CB 4.4Å; F770-L773 HydrophobicContact CB-CD1 3.91Å; F770-L773 HydrophobicContact CD1-CD1 3.57Å; F770-L773 HydrophobicContact CD2-CD1 3.97Å; F770-L773 HydrophobicContact CE1-CD1 3.96Å; F770-L773 HydrophobicContact CE2-CD1 4.33Å; F770-L773 HydrophobicContact CG-CD1 3.55Å; F770-L773 HydrophobicContact CZ-CD1 4.31Å; F770-L773 PolarHBondContact O-N 3.13Å; F770-A778 HydrophobicContact CB-CB 4.26Å; F770-A778 HydrophobicContact CD2-CB 3.79Å; F770-A781 HydrophobicContact CE2-CB 4.14Å
771	S	75.5	Confident	86.5	Confident	97 Å²	97	54.1 Å²	54.1	68%	0.678	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-52.6	-32.3	-173.3	64.1	0	0	0	0	114.5	S769	S769-S771 PolarHBondContact O-N 3.44Å
772	N	79.1	Confident	86.5	Confident	70 Å²	70	50.9 Å²	50.9	37%	0.374	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-102.9	-0.8	-176.7	-59.8	-11.2	0	0	0	113.4	C543 I615 F770	C543-N772 HydrophobicContact CB-CB 4.26Å; I615-N772 HydrophobicContact CD1-CB 3.76Å; F770-N772 PolarHBondContact O-N 3.38Å
773	L	84.6	Confident	86.5	Confident	11 Å²	11	49.1 Å²	49.1	6%	0.058	28%	0.276	C	S	.	.	S	Bend	trans	-79.6	147.6	176.4	-85.1	159.8	0	0	0	110.6	M611 C614 I615 F770	M611-L773 HydrophobicContact CB-CD1 4.3Å; M611-L773 HydrophobicContact CE-CD1 3.84Å; M611-L773 HydrophobicContact CG-CD1 4.03Å; C614-L773 HydrophobicContact CB-CD2 3.92Å; I615-L773 HydrophobicContact CG1-CD2 4.27Å; I615-L773 HydrophobicContact CG1-CG 4.48Å; F770-L773 HydrophobicContact CB-CB 4.4Å; F770-L773 HydrophobicContact CB-CD1 3.91Å; F770-L773 HydrophobicContact CD1-CD1 3.57Å; F770-L773 HydrophobicContact CD2-CD1 3.97Å; F770-L773 HydrophobicContact CE1-CD1 3.96Å; F770-L773 HydrophobicContact CE2-CD1 4.33Å; F770-L773 HydrophobicContact CG-CD1 3.55Å; F770-L773 HydrophobicContact CZ-CD1 4.31Å; F770-L773 PolarHBondContact O-N 3.13Å
774	P	81.6	Confident	86.4	Confident	25 Å²	25	50.5 Å²	50.5	16%	0.162	29%	0.285	C	S	.	.			trans	-51.5	129.9	172	-28.7	34.2	0	0	0	112	K776 I777 A778	P774-K776 VanDerWaalsContact C-N 3.26Å; P774-K776 PolarHBondContact O-N 2.85Å; P774-K776 VanDerWaalsContact O-N 3.11Å; P774-I777 HydrophobicContact CB-CD1 3.77Å; P774-I777 HydrophobicContact CB-CG1 4.12Å; P774-I777 HydrophobicContact CG-CD1 3.73Å; P774-I777 WeakPolarHBondContact O-CB 3.41Å; P774-I777 PolarHBondContact O-N 3.18Å; P774-A778 PolarHBondContact O-N 2.87Å
775	P	84.3	Confident	86.5	Confident	92 Å²	92	45.1 Å²	45.1	60%	0.597	26%	0.261	S	S	*	.	H	α-helix	trans	-55	-39.1	-171.3	-29.6	33.9	0	0	0	113.9	I777 A778 Q779	P775-I777 VanDerWaalsContact C-N 3.26Å; P775-I777 PolarHBondContact O-N 3.07Å; P775-A778 PolarHBondContact O-N 3.19Å; P775-Q779 WeakPolarHBondContact O-CB 3.32Å; P775-Q779 WeakPolarHBondContact O-CG 2.94Å; P775-Q779 PolarHBondContact O-N 3.19Å
776	K	85.2	Confident	86.7	Confident	165 Å²	165	41.4 Å²	41.4	72%	0.717	24%	0.236	S	C	*	.	H	α-helix	trans	-60.6	-34.6	179.4	-68.7	-178.6	179	175.2	0	112.7	P774 T780	P774-K776 VanDerWaalsContact C-N 3.26Å; P774-K776 PolarHBondContact O-N 2.85Å; P774-K776 VanDerWaalsContact O-N 3.11Å; K776-T780 WeakPolarHBondContact O-CB 3.47Å; K776-T780 PolarHBondContact O-N 3.42Å; K776-T780 PolarHBondContact O-OG1 3.33Å
777	I	84.9	Confident	86.8	Confident	9 Å²	9	46.8 Å²	46.8	5%	0.046	26%	0.258	C	S	.	.	H	α-helix	trans	-73	-48.5	-179.3	-59.5	172.3	0	0	0	109.4	E694 P774 P775 Q779 T780 A781	E694-I777 HydrophobicContact CG-CD1 3.65Å; E694-I777 HydrophobicContact CG-CG1 3.85Å; E694-I777 HydrophobicContact CG-CG2 3.92Å; E694-I777 VanDerWaalsContact OE1-CD1 3.22Å; E694-I777 WeakPolarHBondContact OE1-CD1 3.45Å; P774-I777 HydrophobicContact CB-CD1 3.77Å; P774-I777 HydrophobicContact CB-CG1 4.12Å; P774-I777 HydrophobicContact CG-CD1 3.73Å; P774-I777 WeakPolarHBondContact O-CB 3.41Å; P774-I777 PolarHBondContact O-N 3.18Å; P775-I777 VanDerWaalsContact C-N 3.26Å; P775-I777 PolarHBondContact O-N 3.07Å; I777-Q779 VanDerWaalsContact C-N 3.26Å; I777-Q779 PolarHBondContact O-N 3.03Å; I777-T780 PolarHBondContact O-N 2.89Å; I777-A781 VanDerWaalsContact O-CB 3.3Å; I777-A781 WeakPolarHBondContact O-CB 3.35Å; I777-A781 PolarHBondContact O-N 3.23Å
778	A	87.4	Confident	87.1	Confident	5 Å²	5	48.4 Å²	48.4	4%	0.041	27%	0.266	C	S	.	.	H	α-helix	trans	-56.4	-43.3	175.9	0	0	0	0	0	111.4	F770 P774 P775 C782 V829	F770-A778 HydrophobicContact CB-CB 4.26Å; F770-A778 HydrophobicContact CD2-CB 3.79Å; P774-A778 PolarHBondContact O-N 2.87Å; P775-A778 PolarHBondContact O-N 3.19Å; A778-C782 WeakPolarHBondContact O-CB 3.49Å; A778-C782 PolarHBondContact O-N 3.48Å; A778-V829 HydrophobicContact CB-CG1 3.63Å; A778-V829 HydrophobicContact CB-CG2 4.48Å
779	Q	89.8	Confident	87.4	Confident	52 Å²	52	43.7 Å²	43.7	24%	0.243	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-46.6	177.2	-68.6	173.9	0.4	0	0	112.2	P775 I777 C782 M783 V829 P830 L832	P775-Q779 WeakPolarHBondContact O-CB 3.32Å; P775-Q779 WeakPolarHBondContact O-CG 2.94Å; P775-Q779 PolarHBondContact O-N 3.19Å; I777-Q779 VanDerWaalsContact C-N 3.26Å; I777-Q779 PolarHBondContact O-N 3.03Å; Q779-C782 PolarHBondContact O-N 3.05Å; Q779-M783 WeakPolarHBondContact O-CB 3.47Å; Q779-M783 PolarHBondContact O-N 3.47Å; Q779-V829 HydrophobicContact CG-CG1 4.05Å; Q779-P830 PolarHBondContact NE2-O 3.26Å; Q779-P830 VanDerWaalsContact NE2-O 3.07Å; Q779-L832 HydrophobicContact CB-CD2 3.85Å; Q779-L832 HydrophobicContact CB-CG 4.1Å; Q779-L832 HydrophobicContact CG-CD2 4.13Å; Q779-L832 HydrophobicContact CG-CG 3.94Å
780	T	89.1	Confident	87.8	Confident	88 Å²	88	41.1 Å²	41.1	54%	0.54	22%	0.223	S	C	.	.	H	α-helix	trans	-64.9	-43.8	179.3	-58.8	0	0	0	0	111.4	K776 I777 M783 S784	K776-T780 WeakPolarHBondContact O-CB 3.47Å; K776-T780 PolarHBondContact O-N 3.42Å; K776-T780 PolarHBondContact O-OG1 3.33Å; I777-T780 PolarHBondContact O-N 2.89Å; T780-M783 PolarHBondContact O-N 2.96Å; T780-S784 WeakPolarHBondContact O-CB 3.48Å; T780-S784 PolarHBondContact O-N 3.46Å
781	A	88.9	Confident	88.1	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-48.2	176.5	0	0	0	0	0	111.3	L701 F770 I777 M783 S784 V785	L701-A781 HydrophobicContact CD1-CB 4.05Å; F770-A781 HydrophobicContact CE2-CB 4.14Å; I777-A781 VanDerWaalsContact O-CB 3.3Å; I777-A781 WeakPolarHBondContact O-CB 3.35Å; I777-A781 PolarHBondContact O-N 3.23Å; A781-M783 PolarHBondContact O-N 3.48Å; A781-S784 PolarHBondContact O-N 3.41Å; A781-V785 WeakPolarHBondContact O-CB 3.47Å; A781-V785 VanDerWaalsContact O-CG2 3.25Å; A781-V785 WeakPolarHBondContact O-CG2 3.41Å; A781-V785 PolarHBondContact O-N 3.35Å
782	C	90.6	Very high	88.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-46.8	176.6	-178.7	0	0	0	0	112.1	F767 A778 Q779 S784 V785 C786 V829 L832	F767-C782 HydrophobicContact CE1-CB 4.07Å; F767-C782 HydrophobicContact CE2-CB 4.34Å; F767-C782 HydrophobicContact CZ-CB 3.92Å; A778-C782 WeakPolarHBondContact O-CB 3.49Å; A778-C782 PolarHBondContact O-N 3.48Å; Q779-C782 PolarHBondContact O-N 3.05Å; C782-S784 VanDerWaalsContact C-N 3.34Å; C782-S784 PolarHBondContact O-N 2.97Å; C782-V785 PolarHBondContact O-N 2.95Å; C782-C786 WeakPolarHBondContact O-CB 3.46Å; C782-C786 PolarHBondContact O-N 3.26Å; C782-C786 PolarHBondContact O-SG 3.44Å; C782-C786 VanDerWaalsContact O-SG 3.35Å; C782-V829 HydrophobicContact CB-CB 4.4Å; C782-V829 HydrophobicContact CB-CG2 3.8Å; C782-L832 HydrophobicContact CB-CD1 3.72Å
783	M	90.6	Very high	89.3	Confident	33 Å²	33	40.9 Å²	40.9	16%	0.163	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-44.4	177.7	-174.7	62.9	58.1	0	0	111.8	Q779 T780 A781 K787 L832 T836 L837 I840	Q779-M783 WeakPolarHBondContact O-CB 3.47Å; Q779-M783 PolarHBondContact O-N 3.47Å; T780-M783 PolarHBondContact O-N 2.96Å; A781-M783 PolarHBondContact O-N 3.48Å; M783-K787 HydrophobicContact CG-CD 4.45Å; M783-K787 WeakPolarHBondContact O-CB 3.19Å; M783-K787 VanDerWaalsContact O-CG 3.32Å; M783-K787 WeakPolarHBondContact O-CG 3.46Å; M783-K787 PolarHBondContact O-N 2.86Å; M783-L832 HydrophobicContact CE-CD2 3.94Å; M783-T836 HydrophobicContact CE-CG2 3.83Å; M783-L837 HydrophobicContact CE-CD1 3.94Å; M783-I840 HydrophobicContact SD-CD1 3.47Å; M783-I840 WeakPolarHBondContact SD-CD1 3.46Å; M783-I840 HydrophobicContact SD-CG1 4.28Å
784	S	91.4	Very high	89.5	Confident	28 Å²	28	43.5 Å²	43.5	20%	0.196	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-44.2	178.9	-167.2	0	0	0	0	111.6	K702 T780 A781 C782 H788	K702-S784 WeakPolarHBondContact CE-OG 3.22Å; K702-S784 PolarHBondContact NZ-OG 3.16Å; T780-S784 WeakPolarHBondContact O-CB 3.48Å; T780-S784 PolarHBondContact O-N 3.46Å; A781-S784 PolarHBondContact O-N 3.41Å; C782-S784 VanDerWaalsContact C-N 3.34Å; C782-S784 PolarHBondContact O-N 2.97Å; S784-H788 WeakPolarHBondContact O-CB 3.24Å; S784-H788 PolarHBondContact O-N 3.42Å
785	V	92.8	Very high	89.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-47.8	176.2	168.5	0	0	0	0	111.5	L701 V705 L763 F767 A781 C782 K787 H788 I789	L701-V785 HydrophobicContact CB-CG2 3.51Å; L701-V785 HydrophobicContact CD1-CG2 3.87Å; L701-V785 HydrophobicContact CG-CG2 4.31Å; V705-V785 HydrophobicContact CG2-CG1 3.79Å; L763-V785 HydrophobicContact CD1-CG1 3.88Å; L763-V785 HydrophobicContact CD2-CG1 3.85Å; F767-V785 HydrophobicContact CZ-CB 4.41Å; F767-V785 HydrophobicContact CZ-CG2 4.49Å; A781-V785 WeakPolarHBondContact O-CB 3.47Å; A781-V785 VanDerWaalsContact O-CG2 3.25Å; A781-V785 WeakPolarHBondContact O-CG2 3.41Å; A781-V785 PolarHBondContact O-N 3.35Å; C782-V785 PolarHBondContact O-N 2.95Å; V785-K787 VanDerWaalsContact C-N 3.33Å; V785-K787 PolarHBondContact O-N 2.85Å; V785-H788 CarbonylContact O-C 3.5Å; V785-H788 WeakPolarHBondContact O-CA 3.46Å; V785-H788 WeakPolarHBondContact O-CB 3.39Å; V785-H788 PolarHBondContact O-N 3.42Å; V785-I789 HydrophobicContact CG1-CD1 3.91Å; V785-I789 HydrophobicContact CG1-CG1 4.33Å; V785-I789 WeakPolarHBondContact O-CG1 3.25Å; V785-I789 PolarHBondContact O-N 3.03Å
786	C	92.5	Very high	89.6	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-40.4	179.1	-70	0	0	0	0	112.2	C782 H788 I789 A790 L837 I840 F841	C782-C786 WeakPolarHBondContact O-CB 3.46Å; C782-C786 PolarHBondContact O-N 3.26Å; C782-C786 PolarHBondContact O-SG 3.44Å; C782-C786 VanDerWaalsContact O-SG 3.35Å; C786-H788 VanDerWaalsContact C-N 3.29Å; C786-H788 PolarHBondContact O-N 3.35Å; C786-I789 PolarHBondContact O-N 2.88Å; C786-A790 PolarHBondContact O-N 3.46Å; C786-L837 HydrophobicContact CB-CD2 4.47Å; C786-L837 HydrophobicContact CB-CG 4.39Å; C786-L837 VanDerWaalsContact SG-CD2 3.52Å; C786-I840 HydrophobicContact CB-CD1 3.68Å; C786-F841 HydrophobicContact CB-CE2 4.14Å; C786-F841 HydrophobicContact CB-CZ 4.08Å
787	K	92.9	Very high	89.5	Confident	124 Å²	124	34.1 Å²	34.1	54%	0.539	17%	0.165	S	C	.	.	H	α-helix	trans	-60.9	-39.8	172.4	-74.5	177.2	-178.9	179.5	0	111.9	M783 V785 A790 R791 I840	M783-K787 HydrophobicContact CG-CD 4.45Å; M783-K787 WeakPolarHBondContact O-CB 3.19Å; M783-K787 VanDerWaalsContact O-CG 3.32Å; M783-K787 WeakPolarHBondContact O-CG 3.46Å; M783-K787 PolarHBondContact O-N 2.86Å; V785-K787 VanDerWaalsContact C-N 3.33Å; V785-K787 PolarHBondContact O-N 2.85Å; K787-A790 PolarHBondContact O-N 3.47Å; K787-R791 WeakPolarHBondContact O-CB 3.34Å; K787-R791 PolarHBondContact O-N 3.24Å; K787-I840 HydrophobicContact CB-CG2 4.35Å; K787-I840 HydrophobicContact CG-CD1 4.15Å; K787-I840 HydrophobicContact CG-CG1 4.31Å; K787-I840 HydrophobicContact CG-CG2 3.89Å
788	H	93.9	Very high	89.3	Confident	44 Å²	44	34.2 Å²	34.2	20%	0.204	17%	0.165	C	C	.	.	H	α-helix	trans	-67.1	-41.9	177	-165.8	61.5	0	0	0	112.5	K702 T706 S784 V785 C786 A790 R791 L792	K702-H788 HydrophobicContact CG-CB 4Å; K702-H788 PolarHBondContact O-NE2 2.96Å; T706-H788 PolarHBondContact OG1-NE2 3.48Å; S784-H788 WeakPolarHBondContact O-CB 3.24Å; S784-H788 PolarHBondContact O-N 3.42Å; V785-H788 CarbonylContact O-C 3.5Å; V785-H788 WeakPolarHBondContact O-CA 3.46Å; V785-H788 WeakPolarHBondContact O-CB 3.39Å; V785-H788 PolarHBondContact O-N 3.42Å; C786-H788 VanDerWaalsContact C-N 3.29Å; C786-H788 PolarHBondContact O-N 3.35Å; H788-A790 PolarHBondContact O-N 2.86Å; H788-R791 WeakPolarHBondContact O-CB 3.48Å; H788-R791 PolarHBondContact O-N 3.24Å; H788-L792 WeakPolarHBondContact NE2-CD1 3.35Å; H788-L792 WeakPolarHBondContact O-CG 3.4Å; H788-L792 PolarHBondContact O-N 3.5Å
789	I	92.8	Very high	88.9	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-50.7	173.4	-65	167.6	0	0	0	109.8	V705 I709 L763 V785 C786 R791 L792 L793 C820 F841	V705-I789 HydrophobicContact CG1-CD1 4.43Å; V705-I789 HydrophobicContact CG1-CG1 3.5Å; V705-I789 VanDerWaalsContact CG1-CG1 3.5Å; I709-I789 HydrophobicContact CD1-CB 4.44Å; I709-I789 HydrophobicContact CD1-CG1 4.43Å; I709-I789 HydrophobicContact CD1-CG2 4.08Å; L763-I789 HydrophobicContact CD1-CD1 3.74Å; V785-I789 HydrophobicContact CG1-CD1 3.91Å; V785-I789 HydrophobicContact CG1-CG1 4.33Å; V785-I789 WeakPolarHBondContact O-CG1 3.25Å; V785-I789 PolarHBondContact O-N 3.03Å; C786-I789 PolarHBondContact O-N 2.88Å; I789-R791 VanDerWaalsContact C-N 3.29Å; I789-R791 PolarHBondContact O-N 2.88Å; I789-L792 PolarHBondContact O-N 2.95Å; I789-L793 HydrophobicContact CG2-CD1 3.91Å; I789-L793 HydrophobicContact CG2-CG 4.27Å; I789-L793 WeakPolarHBondContact O-CG 3.43Å; I789-L793 PolarHBondContact O-N 3.1Å; I789-C820 HydrophobicContact CG2-CB 4.48Å; I789-F841 HydrophobicContact CB-CE1 4.14Å; I789-F841 HydrophobicContact CB-CZ 4.31Å; I789-F841 HydrophobicContact CG2-CE1 3.81Å; I789-F841 HydrophobicContact CG2-CZ 4.23Å
790	A	91.7	Very high	87.9	Confident	9 Å²	9	37.8 Å²	37.8	7%	0.074	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-41.5	178.2	0	0	0	0	0	111.8	C786 K787 H788 Y794 I840 F841 L844	C786-A790 PolarHBondContact O-N 3.46Å; K787-A790 PolarHBondContact O-N 3.47Å; H788-A790 PolarHBondContact O-N 2.86Å; A790-Y794 WeakPolarHBondContact O-CB 3.49Å; A790-Y794 PolarHBondContact O-N 3.3Å; A790-I840 HydrophobicContact CB-CG2 3.78Å; A790-F841 HydrophobicContact CB-CD1 3.86Å; A790-F841 HydrophobicContact CB-CE1 3.89Å; A790-L844 HydrophobicContact CB-CD1 4.31Å; A790-L844 WeakPolarHBondContact O-CD1 3.25Å
791	R	91.6	Very high	86.7	Confident	154 Å²	154	41.5 Å²	41.5	58%	0.581	21%	0.209	S	C	*	.	H	α-helix	trans	-60.1	-48.6	174.1	-173.8	98.8	-176.7	138.5	2.8	112	K787 H788 I789 Y794 D795	K787-R791 WeakPolarHBondContact O-CB 3.34Å; K787-R791 PolarHBondContact O-N 3.24Å; H788-R791 WeakPolarHBondContact O-CB 3.48Å; H788-R791 PolarHBondContact O-N 3.24Å; I789-R791 VanDerWaalsContact C-N 3.29Å; I789-R791 PolarHBondContact O-N 2.88Å; R791-Y794 CarbonylContact O-C 3.58Å; R791-Y794 WeakPolarHBondContact O-CA 3.5Å; R791-Y794 WeakPolarHBondContact O-CB 3.5Å; R791-Y794 PolarHBondContact O-N 3Å; R791-Y794 VanDerWaalsContact O-N 3.16Å; R791-D795 PolarHBondContact O-N 3.45Å
792	L	90.4	Very high	85.4	Confident	18 Å²	18	42.6 Å²	42.6	9%	0.094	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-41.9	-178.6	-72.1	172	0	0	0	111.9	V705 T706 I709 H788 I789 Y794 D795 V796	V705-L792 HydrophobicContact CG1-CD1 3.96Å; T706-L792 HydrophobicContact CG2-CD2 4.23Å; I709-L792 HydrophobicContact CB-CB 4.48Å; I709-L792 HydrophobicContact CB-CD1 4.31Å; I709-L792 HydrophobicContact CD1-CB 3.79Å; I709-L792 HydrophobicContact CD1-CD1 3.75Å; I709-L792 HydrophobicContact CD1-CG 4.46Å; I709-L792 HydrophobicContact CG1-CD1 4.46Å; I709-L792 HydrophobicContact CG2-CB 4.05Å; H788-L792 WeakPolarHBondContact NE2-CD1 3.35Å; H788-L792 WeakPolarHBondContact O-CG 3.4Å; H788-L792 PolarHBondContact O-N 3.5Å; I789-L792 PolarHBondContact O-N 2.95Å; L792-Y794 VanDerWaalsContact C-N 3.27Å; L792-Y794 PolarHBondContact O-N 3.18Å; L792-D795 CarbonylContact O-C 3.57Å; L792-D795 PolarHBondContact O-N 3.33Å; L792-D795 VanDerWaalsContact O-N 3.11Å; L792-V796 WeakPolarHBondContact O-CG2 3.44Å; L792-V796 PolarHBondContact O-N 3.02Å
793	L	88.7	Confident	84	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-32.3	174.3	-64.1	178.3	0	0	0	112	I709 I789 V796 L813 L817 L844	I709-L793 HydrophobicContact CD1-CD2 4.47Å; I709-L793 HydrophobicContact CG2-CD2 4.4Å; I789-L793 HydrophobicContact CG2-CD1 3.91Å; I789-L793 HydrophobicContact CG2-CG 4.27Å; I789-L793 WeakPolarHBondContact O-CG 3.43Å; I789-L793 PolarHBondContact O-N 3.1Å; L793-V796 WeakPolarHBondContact O-CB 3.35Å; L793-V796 PolarHBondContact O-N 3.37Å; L793-L813 HydrophobicContact CB-CD1 4.23Å; L793-L813 HydrophobicContact CD2-CD1 3.72Å; L793-L813 HydrophobicContact CG-CD1 4.46Å; L793-L817 HydrophobicContact CD1-CD1 3.97Å; L793-L844 HydrophobicContact CB-CD1 4.15Å
794	Y	88.6	Confident	82.9	Confident	65 Å²	65	51.8 Å²	51.8	26%	0.255	25%	0.252	S	S	.	.	H	α-helix	trans	-67.6	-39	170.5	-176	-87.9	0	0	0	111.8	A790 R791 L792 V796 L797 F798 L844 V883	A790-Y794 WeakPolarHBondContact O-CB 3.49Å; A790-Y794 PolarHBondContact O-N 3.3Å; R791-Y794 CarbonylContact O-C 3.58Å; R791-Y794 WeakPolarHBondContact O-CA 3.5Å; R791-Y794 WeakPolarHBondContact O-CB 3.5Å; R791-Y794 PolarHBondContact O-N 3Å; R791-Y794 VanDerWaalsContact O-N 3.16Å; L792-Y794 VanDerWaalsContact C-N 3.27Å; L792-Y794 PolarHBondContact O-N 3.18Å; Y794-V796 VanDerWaalsContact C-N 3.31Å; Y794-V796 PolarHBondContact O-N 3.41Å; Y794-L797 WeakPolarHBondContact O-CB 3.42Å; Y794-L797 PolarHBondContact O-N 3.01Å; Y794-L797 VanDerWaalsContact O-N 3.08Å; Y794-F798 HydrophobicContact CD1-CB 4.46Å; Y794-F798 AromaticContact CD1-CD2 3.88Å; Y794-F798 HydrophobicContact CD1-CD2 3.88Å; Y794-F798 AromaticContact CD2-CD2 3.83Å; Y794-F798 HydrophobicContact CD2-CD2 3.83Å; Y794-F798 AromaticContact CD2-CE2 3.96Å; Y794-F798 HydrophobicContact CD2-CE2 3.96Å; Y794-F798 HydrophobicContact CE1-CB 4.1Å; Y794-F798 AromaticContact CE1-CD2 3.53Å; Y794-F798 HydrophobicContact CE1-CD2 3.53Å; Y794-F798 HydrophobicContact CE1-CE2 4.34Å; Y794-F798 HydrophobicContact CE1-CG 4.18Å; Y794-F798 AromaticContact CE2-CD2 3.47Å; Y794-F798 HydrophobicContact CE2-CD2 3.47Å; Y794-F798 VanDerWaalsContact CE2-CD2 3.47Å; Y794-F798 AromaticContact CE2-CE2 3.44Å; Y794-F798 HydrophobicContact CE2-CE2 3.44Å; Y794-F798 VanDerWaalsContact CE2-CE2 3.44Å; Y794-F798 HydrophobicContact CG-CD2 4.02Å; Y794-F798 AromaticContact CZ-CD2 3.3Å; Y794-F798 AromaticContact CZ-CE2 3.66Å; Y794-F798 WeakPolarHBondContact O-CD2 3.38Å; Y794-F798 PolarHBondContact O-N 2.94Å; Y794-L844 HydrophobicContact CD2-CG 4.42Å; Y794-V883 HydrophobicContact CE2-CG1 4.11Å
795	D	86	Confident	82.1	Confident	60 Å²	60	50.8 Å²	50.8	32%	0.321	25%	0.245	S	C	.	.	H	α-helix	trans	-71.1	-24.9	176.8	-69.5	-23.2	0	0	0	112.4	R791 L792 L797 F798 G799	R791-D795 PolarHBondContact O-N 3.45Å; L792-D795 CarbonylContact O-C 3.57Å; L792-D795 PolarHBondContact O-N 3.33Å; L792-D795 VanDerWaalsContact O-N 3.11Å; D795-L797 PolarHBondContact O-N 3.48Å; D795-F798 PolarHBondContact O-N 2.85Å; D795-G799 WeakPolarHBondContact O-CA 3.41Å; D795-G799 PolarHBondContact O-N 3.12Å
796	V	82.7	Confident	81.3	Confident	26 Å²	26	51 Å²	51	16%	0.158	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-32.2	166.9	168.4	0	0	0	0	111.6	I709 Y714 L792 L793 Y794 V802 L813	I709-V796 HydrophobicContact CG2-CG2 4.3Å; Y714-V796 HydrophobicContact CD2-CB 4.32Å; Y714-V796 HydrophobicContact CD2-CG1 3.3Å; Y714-V796 HydrophobicContact CD2-CG2 4.01Å; Y714-V796 HydrophobicContact CE2-CG1 3.81Å; Y714-V796 HydrophobicContact CE2-CG2 3.95Å; Y714-V796 HydrophobicContact CG-CG1 3.72Å; L792-V796 WeakPolarHBondContact O-CG2 3.44Å; L792-V796 PolarHBondContact O-N 3.02Å; L793-V796 WeakPolarHBondContact O-CB 3.35Å; L793-V796 PolarHBondContact O-N 3.37Å; Y794-V796 VanDerWaalsContact C-N 3.31Å; Y794-V796 PolarHBondContact O-N 3.41Å; V796-V802 WeakPolarHBondContact O-CG2 3.21Å; V796-L813 HydrophobicContact CG1-CD1 4.2Å
797	L	81.2	Confident	80.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-81.5	-37.9	175.6	-67.2	175	0	0	0	112.7	Y794 D795 L805 L810 L813 L844 L847 L848 L887 R890	Y794-L797 WeakPolarHBondContact O-CB 3.42Å; Y794-L797 PolarHBondContact O-N 3.01Å; Y794-L797 VanDerWaalsContact O-N 3.08Å; D795-L797 PolarHBondContact O-N 3.48Å; L797-L805 HydrophobicContact CD2-CD1 4.03Å; L797-L805 HydrophobicContact CD2-CD2 4.23Å; L797-L810 HydrophobicContact CD2-CD2 3.46Å; L797-L810 VanDerWaalsContact CD2-CD2 3.46Å; L797-L813 HydrophobicContact CD1-CD2 3.86Å; L797-L813 HydrophobicContact CD2-CD2 3.4Å; L797-L813 VanDerWaalsContact CD2-CD2 3.4Å; L797-L813 HydrophobicContact CG-CD2 3.47Å; L797-L813 VanDerWaalsContact CG-CD2 3.47Å; L797-L844 HydrophobicContact CD1-CD2 3.72Å; L797-L847 HydrophobicContact CD1-CD2 4.13Å; L797-L848 HydrophobicContact CD1-CD2 4.26Å; L797-L887 HydrophobicContact CD2-CD1 4.32Å; L797-R890 WeakPolarHBondContact O-CD 3.46Å
798	F	82.7	Confident	79.9	Confident	11 Å²	11	51.8 Å²	51.8	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-127.5	0.3	-161.4	-63.7	-59.3	0	0	0	115.7	Y794 D795 L847 V883 K886 L887	Y794-F798 HydrophobicContact CD1-CB 4.46Å; Y794-F798 AromaticContact CD1-CD2 3.88Å; Y794-F798 HydrophobicContact CD1-CD2 3.88Å; Y794-F798 AromaticContact CD2-CD2 3.83Å; Y794-F798 HydrophobicContact CD2-CD2 3.83Å; Y794-F798 AromaticContact CD2-CE2 3.96Å; Y794-F798 HydrophobicContact CD2-CE2 3.96Å; Y794-F798 HydrophobicContact CE1-CB 4.1Å; Y794-F798 AromaticContact CE1-CD2 3.53Å; Y794-F798 HydrophobicContact CE1-CD2 3.53Å; Y794-F798 HydrophobicContact CE1-CE2 4.34Å; Y794-F798 HydrophobicContact CE1-CG 4.18Å; Y794-F798 AromaticContact CE2-CD2 3.47Å; Y794-F798 HydrophobicContact CE2-CD2 3.47Å; Y794-F798 VanDerWaalsContact CE2-CD2 3.47Å; Y794-F798 AromaticContact CE2-CE2 3.44Å; Y794-F798 HydrophobicContact CE2-CE2 3.44Å; Y794-F798 VanDerWaalsContact CE2-CE2 3.44Å; Y794-F798 HydrophobicContact CG-CD2 4.02Å; Y794-F798 AromaticContact CZ-CD2 3.3Å; Y794-F798 AromaticContact CZ-CE2 3.66Å; Y794-F798 WeakPolarHBondContact O-CD2 3.38Å; Y794-F798 PolarHBondContact O-N 2.94Å; D795-F798 PolarHBondContact O-N 2.85Å; F798-L847 HydrophobicContact CE2-CD2 3.76Å; F798-L847 HydrophobicContact CZ-CD2 3.85Å; F798-V883 HydrophobicContact CE2-CG1 3.78Å; F798-V883 HydrophobicContact CZ-CG1 3.69Å; F798-K886 HydrophobicContact CD1-CB 4.38Å; F798-K886 HydrophobicContact CD1-CD 3.59Å; F798-K886 HydrophobicContact CD1-CG 3.72Å; F798-K886 HydrophobicContact CE1-CB 3.95Å; F798-K886 HydrophobicContact CE1-CD 3.98Å; F798-K886 HydrophobicContact CE1-CG 3.78Å; F798-K886 HydrophobicContact CG-CD 4.21Å; F798-L887 HydrophobicContact CE1-CB 3.98Å; F798-L887 HydrophobicContact CE1-CD1 4.45Å; F798-L887 HydrophobicContact CZ-CB 3.94Å; F798-L887 HydrophobicContact CZ-CD1 4.4Å
799	G	77.4	Confident	79.3	Confident	17 Å²	17	50 Å²	50	18%	0.175	25%	0.248	C	C	.	.			trans	-65.8	154.1	179.8	0	0	0	0	0	112.1	D795 Q801 V802 R890	D795-G799 WeakPolarHBondContact O-CA 3.41Å; D795-G799 PolarHBondContact O-N 3.12Å; G799-Q801 PolarHBondContact O-N 2.98Å; G799-V802 PolarHBondContact O-N 3.44Å; G799-R890 PolarHBondContact O-NH2 3.35Å
800	S	68.8	Low	79	Confident	115 Å²	115	49.9 Å²	49.9	80%	0.804	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.7	179.7	50.5	0	0	0	0	113.3
801	Q	63.7	Low	78.7	Confident	166 Å²	166	52.6 Å²	52.6	78%	0.776	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-20.1	-175.7	-59.8	-64.7	-2.1	0	0	114.1	G799 R803	G799-Q801 PolarHBondContact O-N 2.98Å; Q801-R803 PolarHBondContact O-N 3.47Å
802	V	62.5	Low	78.4	Confident	23 Å²	23	46.8 Å²	46.8	14%	0.139	24%	0.239	C	C	.	.			trans	-73.7	111.8	-173.2	-176.6	0	0	0	0	109.9	V796 G799 R890	V796-V802 WeakPolarHBondContact O-CG2 3.21Å; G799-V802 PolarHBondContact O-N 3.44Å; V802-R890 PolarHBondContact O-NH2 3.28Å
803	R	61.4	Low	78.3	Confident	203 Å²	203	46 Å²	46	77%	0.766	24%	0.235	S	C	*	.			trans	-80.6	-39.9	-172.9	-73.5	-178.4	176.6	176.6	0.3	113.9	Q801 K897	Q801-R803 PolarHBondContact O-N 3.47Å; R803-K897 PolarHBondContact O-NZ 2.78Å
804	S	68.1	Low	78.3	Confident	22 Å²	22	46.9 Å²	46.9	15%	0.154	24%	0.241	C	C	.	.			trans	-146.1	138.5	177.5	42.9	0	0	0	0	109.2	D716 S894	D716-S804 PolarHBondContact OD2-OG 3.22Å; S804-S894 WeakPolarHBondContact CA-OG 3.41Å
805	L	74.5	Confident	78.4	Confident	7 Å²	7	45.9 Å²	45.9	4%	0.037	24%	0.239	C	C	.	.			trans	-104.8	115.6	172.7	-173.8	66.2	0	0	0	107.8	L797 L810 L887 L891 S894	L797-L805 HydrophobicContact CD2-CD1 4.03Å; L797-L805 HydrophobicContact CD2-CD2 4.23Å; L805-L810 HydrophobicContact CD1-CD2 4.47Å; L805-L810 HydrophobicContact CD1-CG 4.18Å; L805-L810 HydrophobicContact CD2-CD1 4.07Å; L805-L810 HydrophobicContact CD2-CD2 4.27Å; L805-L810 HydrophobicContact CD2-CG 4.18Å; L805-L810 HydrophobicContact CG-CD1 4.24Å; L805-L810 HydrophobicContact CG-CG 4.13Å; L805-L887 HydrophobicContact CD2-CD1 3.64Å; L805-L891 HydrophobicContact CB-CD2 4.23Å; L805-L891 HydrophobicContact CD2-CD2 3.85Å; L805-L891 HydrophobicContact CD2-CG 3.96Å; L805-L891 HydrophobicContact CG-CD2 3.91Å; L805-S894 PolarHBondContact N-OG 3.18Å; L805-S894 WeakPolarHBondContact O-CB 3.47Å
806	S	75.7	Confident	78.6	Confident	5 Å²	5	43 Å²	43	4%	0.035	22%	0.224	C	C	.	.			trans	-93	151.7	178.5	64.2	0	0	0	0	111.4	T808 G809 L810	S806-T808 VanDerWaalsContact C-N 3.27Å; S806-T808 PolarHBondContact O-N 2.9Å; S806-T808 PolarHBondContact OG-OG1 3.43Å; S806-G809 PolarHBondContact O-N 3.21Å; S806-G809 WeakPolarHBondContact OG-CA 3.34Å; S806-G809 PolarHBondContact OG-N 2.6Å; S806-L810 PolarHBondContact O-N 3Å
807	E	77.5	Confident	79	Confident	89 Å²	89	41.8 Å²	41.8	42%	0.416	22%	0.217	S	C	.	.	H	α-helix	trans	-63.1	-36.5	175.1	-174.4	166.7	-179	0	0	111.3	L810 Q811 R912	E807-L810 PolarHBondContact O-N 3.43Å; E807-Q811 WeakPolarHBondContact O-CG 3.49Å; E807-Q811 PolarHBondContact O-N 2.83Å; E807-R912 VanDerWaalsContact CD-NH2 3.3Å; E807-R912 IonicContact OE1-NH2 3.5Å; E807-R912 PolarHBondContact OE1-NH2 2.62Å; E807-R912 VanDerWaalsContact OE1-NH2 3.13Å; E807-R912 IonicContact OE2-CZ 2.56Å; E807-R912 IonicContact OE2-NH2 3.57Å; E807-R912 PolarHBondContact OE2-NH2 3.33Å
808	T	78.7	Confident	79.5	Confident	51 Å²	51	44.3 Å²	44.3	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-64.6	-40.8	172.3	46.3	0	0	0	0	112.1	S806 L810 Q811 Q812	S806-T808 VanDerWaalsContact C-N 3.27Å; S806-T808 PolarHBondContact O-N 2.9Å; S806-T808 PolarHBondContact OG-OG1 3.43Å; T808-L810 VanDerWaalsContact C-N 3.34Å; T808-L810 PolarHBondContact O-N 3.15Å; T808-Q811 PolarHBondContact O-N 3.36Å; T808-Q812 PolarHBondContact O-N 2.92Å
809	G	81.7	Confident	79.9	Confident	6 Å²	6	45.8 Å²	45.8	6%	0.062	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-38.5	174.3	0	0	0	0	0	112.9	S806 Q812 L813	S806-G809 PolarHBondContact O-N 3.21Å; S806-G809 WeakPolarHBondContact OG-CA 3.34Å; S806-G809 PolarHBondContact OG-N 2.6Å; G809-Q812 PolarHBondContact O-N 2.89Å; G809-L813 WeakPolarHBondContact O-CB 3.5Å; G809-L813 PolarHBondContact O-N 3.18Å
810	L	85.9	Confident	80.6	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.9	-40.3	173.6	-84.3	168.4	0	0	0	113.1	L797 L805 S806 E807 T808 L813 S814 L848 Y851 L887 L891	L797-L810 HydrophobicContact CD2-CD2 3.46Å; L797-L810 VanDerWaalsContact CD2-CD2 3.46Å; L805-L810 HydrophobicContact CD1-CD2 4.47Å; L805-L810 HydrophobicContact CD1-CG 4.18Å; L805-L810 HydrophobicContact CD2-CD1 4.07Å; L805-L810 HydrophobicContact CD2-CD2 4.27Å; L805-L810 HydrophobicContact CD2-CG 4.18Å; L805-L810 HydrophobicContact CG-CD1 4.24Å; L805-L810 HydrophobicContact CG-CG 4.13Å; S806-L810 PolarHBondContact O-N 3Å; E807-L810 PolarHBondContact O-N 3.43Å; T808-L810 VanDerWaalsContact C-N 3.34Å; T808-L810 PolarHBondContact O-N 3.15Å; L810-L813 PolarHBondContact O-N 3.35Å; L810-S814 WeakPolarHBondContact O-CB 3.24Å; L810-S814 PolarHBondContact O-N 3.16Å; L810-L848 HydrophobicContact CD2-CD2 3.52Å; L810-Y851 HydrophobicContact CB-CE1 4.43Å; L810-Y851 HydrophobicContact CD1-CD1 3.89Å; L810-Y851 HydrophobicContact CD1-CE1 3.5Å; L810-L887 HydrophobicContact CD2-CD1 4.33Å; L810-L891 HydrophobicContact CD1-CD1 3.82Å; L810-L891 HydrophobicContact CD1-CD2 3.54Å; L810-L891 HydrophobicContact CD1-CG 4.13Å
811	Q	85.2	Confident	81.7	Confident	66 Å²	66	40 Å²	40	31%	0.308	20%	0.198	S	C	.	.	H	α-helix	trans	-63.3	-45	174.2	-72.5	175.8	4.7	0	0	111	E807 T808 L813 S814 I815 H852	E807-Q811 WeakPolarHBondContact O-CG 3.49Å; E807-Q811 PolarHBondContact O-N 2.83Å; T808-Q811 PolarHBondContact O-N 3.36Å; Q811-L813 PolarHBondContact O-N 2.86Å; Q811-S814 WeakPolarHBondContact O-CB 3.36Å; Q811-S814 PolarHBondContact O-N 3.06Å; Q811-I815 WeakPolarHBondContact O-CG1 3.39Å; Q811-I815 PolarHBondContact O-N 3.06Å; Q811-I815 VanDerWaalsContact O-N 3.11Å; Q811-H852 WeakPolarHBondContact CA-NE2 3.48Å; Q811-H852 WeakPolarHBondContact CG-NE2 3.33Å
812	Q	84.9	Confident	82.9	Confident	33 Å²	33	35.4 Å²	35.4	15%	0.154	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-45.6	176.1	-171.7	61.6	56.8	0	0	111.7	Y714 K751 T753 T808 G809 S814 I815 D816	Y714-Q812 HydrophobicContact CD1-CB 4.28Å; Y714-Q812 HydrophobicContact CD1-CG 4.2Å; Y714-Q812 HydrophobicContact CE1-CB 4.36Å; Y714-Q812 HydrophobicContact CE1-CG 3.98Å; K751-Q812 PolarHBondContact O-NE2 3.21Å; K751-Q812 PolarHBondContact O-OE1 3.41Å; T753-Q812 VanDerWaalsContact N-NE2 3.14Å; T753-Q812 WeakPolarHBondContact OG1-CG 3.33Å; T753-Q812 PolarHBondContact OG1-NE2 3.11Å; T808-Q812 PolarHBondContact O-N 2.92Å; G809-Q812 PolarHBondContact O-N 2.89Å; Q812-S814 VanDerWaalsContact C-N 3.3Å; Q812-S814 PolarHBondContact O-N 2.77Å; Q812-I815 PolarHBondContact O-N 2.94Å; Q812-D816 PolarHBondContact NE2-OD1 2.98Å; Q812-D816 VanDerWaalsContact O-CG 3.3Å; Q812-D816 PolarHBondContact O-N 3.33Å
813	L	88	Confident	84.2	Confident	2 Å²	2	35 Å²	35	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-61.4	-37.9	176.7	-174.7	69.3	0	0	0	112.2	Y714 L793 V796 L797 G809 L810 Q811 I815 D816 L817 L848	Y714-L813 HydrophobicContact CD1-CB 4.29Å; Y714-L813 HydrophobicContact CE1-CB 4.07Å; Y714-L813 HydrophobicContact CE1-CD1 4.03Å; Y714-L813 HydrophobicContact CE2-CD1 4.36Å; L793-L813 HydrophobicContact CB-CD1 4.23Å; L793-L813 HydrophobicContact CD2-CD1 3.72Å; L793-L813 HydrophobicContact CG-CD1 4.46Å; V796-L813 HydrophobicContact CG1-CD1 4.2Å; L797-L813 HydrophobicContact CD1-CD2 3.86Å; L797-L813 HydrophobicContact CD2-CD2 3.4Å; L797-L813 VanDerWaalsContact CD2-CD2 3.4Å; L797-L813 HydrophobicContact CG-CD2 3.47Å; L797-L813 VanDerWaalsContact CG-CD2 3.47Å; G809-L813 WeakPolarHBondContact O-CB 3.5Å; G809-L813 PolarHBondContact O-N 3.18Å; L810-L813 PolarHBondContact O-N 3.35Å; Q811-L813 PolarHBondContact O-N 2.86Å; L813-I815 VanDerWaalsContact C-N 3.34Å; L813-D816 PolarHBondContact O-N 3.48Å; L813-L817 VanDerWaalsContact O-CB 3.24Å; L813-L817 WeakPolarHBondContact O-CB 3.29Å; L813-L817 PolarHBondContact O-N 3.11Å; L813-L848 HydrophobicContact CD2-CD1 4.3Å; L813-L848 HydrophobicContact CD2-CD2 4.39Å; L813-L848 HydrophobicContact CG-CD1 4.26Å
814	S	89.7	Confident	85.5	Confident	18 Å²	18	25.4 Å²	25.4	13%	0.126	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-38.9	176.9	-174.6	0	0	0	0	112.5	L810 Q811 Q812 S818 R845	L810-S814 WeakPolarHBondContact O-CB 3.24Å; L810-S814 PolarHBondContact O-N 3.16Å; Q811-S814 WeakPolarHBondContact O-CB 3.36Å; Q811-S814 PolarHBondContact O-N 3.06Å; Q812-S814 VanDerWaalsContact C-N 3.3Å; Q812-S814 PolarHBondContact O-N 2.77Å; S814-S818 PolarHBondContact O-N 3.38Å; S814-R845 PolarHBondContact O-NH1 3.36Å; S814-R845 PolarHBondContact O-NH2 2.81Å; S814-R845 PolarHBondContact OG-NH1 2.74Å
815	I	89.9	Confident	86.5	Confident	43 Å²	43	30 Å²	30	22%	0.221	16%	0.159	C	C	.	.	H	α-helix	trans	-67.8	-46.6	175.3	-66.1	163	0	0	0	110	I750 P752 Q811 Q812 L813 L817 S818 L819	I750-I815 HydrophobicContact CB-CD1 3.66Å; I750-I815 HydrophobicContact CG2-CD1 3.49Å; I750-I815 VanDerWaalsContact CG2-CD1 3.49Å; P752-I815 HydrophobicContact CB-CG2 4.05Å; P752-I815 HydrophobicContact CG-CG2 3.72Å; Q811-I815 WeakPolarHBondContact O-CG1 3.39Å; Q811-I815 PolarHBondContact O-N 3.06Å; Q811-I815 VanDerWaalsContact O-N 3.11Å; Q812-I815 PolarHBondContact O-N 2.94Å; L813-I815 VanDerWaalsContact C-N 3.34Å; I815-L817 VanDerWaalsContact C-N 3.33Å; I815-L817 PolarHBondContact O-N 3.27Å; I815-S818 WeakPolarHBondContact O-CA 3.07Å; I815-S818 WeakPolarHBondContact O-CB 3.35Å; I815-S818 PolarHBondContact O-N 3.33Å; I815-S818 PolarHBondContact O-OG 2.89Å; I815-L819 PolarHBondContact O-N 2.87Å; I815-L819 VanDerWaalsContact O-N 3.15Å
816	D	90.2	Very high	87	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.1	-40.2	178.2	-69.2	-9.9	0	0	0	111.8	Y714 P752 T753 I756 Q812 L813 S818 L819 C820	Y714-D816 VanDerWaalsContact CE1-OD2 3.29Å; Y714-D816 WeakPolarHBondContact CE1-OD2 3.46Å; Y714-D816 PolarHBondContact OH-OD2 3.13Å; P752-D816 WeakPolarHBondContact CA-OD1 3.46Å; T753-D816 VanDerWaalsContact CB-OD2 3.28Å; T753-D816 WeakPolarHBondContact CB-OD2 3.32Å; T753-D816 PolarHBondContact N-OD1 3.29Å; T753-D816 PolarHBondContact OG1-OD1 3.38Å; T753-D816 PolarHBondContact OG1-OD2 3.5Å; I756-D816 HydrophobicContact CB-CB 4.42Å; I756-D816 HydrophobicContact CG1-CB 4.05Å; I756-D816 HydrophobicContact CG2-CB 4.2Å; Q812-D816 PolarHBondContact NE2-OD1 2.98Å; Q812-D816 VanDerWaalsContact O-CG 3.3Å; Q812-D816 PolarHBondContact O-N 3.33Å; L813-D816 PolarHBondContact O-N 3.48Å; D816-S818 PolarHBondContact O-N 2.99Å; D816-L819 WeakPolarHBondContact O-CB 3.44Å; D816-L819 PolarHBondContact O-N 2.63Å; D816-C820 PolarHBondContact O-N 3.22Å; D816-C820 PolarHBondContact O-SG 3.38Å
817	L	92	Very high	87.4	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-36.8	172.1	-175.8	65.6	0	0	0	111.3	L793 L813 I815 L819 C820 E821 F841 L844 R845 L848	L793-L817 HydrophobicContact CD1-CD1 3.97Å; L813-L817 VanDerWaalsContact O-CB 3.24Å; L813-L817 WeakPolarHBondContact O-CB 3.29Å; L813-L817 PolarHBondContact O-N 3.11Å; I815-L817 VanDerWaalsContact C-N 3.33Å; I815-L817 PolarHBondContact O-N 3.27Å; L817-L819 VanDerWaalsContact C-N 3.29Å; L817-L819 PolarHBondContact O-N 2.6Å; L817-C820 WeakPolarHBondContact O-CB 3.32Å; L817-C820 PolarHBondContact O-N 3.11Å; L817-E821 VanDerWaalsContact O-CG 3.29Å; L817-E821 WeakPolarHBondContact O-CG 3.38Å; L817-E821 PolarHBondContact O-N 3.23Å; L817-F841 HydrophobicContact CD1-CB 4.02Å; L817-F841 HydrophobicContact CD1-CD1 3.7Å; L817-F841 HydrophobicContact CD1-CG 4.23Å; L817-L844 HydrophobicContact CD1-CB 4.33Å; L817-L844 HydrophobicContact CD2-CB 3.9Å; L817-R845 HydrophobicContact CD2-CB 3.99Å; L817-L848 HydrophobicContact CD2-CD1 3.8Å
818	S	91.5	Very high	87.7	Confident	53 Å²	53	32.3 Å²	32.3	37%	0.371	18%	0.178	S	C	.	.	H	α-helix	trans	-66.7	-34.6	179.4	79.4	0	0	0	0	111.8	S814 I815 D816 E821 S822 R845	S814-S818 PolarHBondContact O-N 3.38Å; I815-S818 WeakPolarHBondContact O-CA 3.07Å; I815-S818 WeakPolarHBondContact O-CB 3.35Å; I815-S818 PolarHBondContact O-N 3.33Å; I815-S818 PolarHBondContact O-OG 2.89Å; D816-S818 PolarHBondContact O-N 2.99Å; S818-E821 PolarHBondContact O-N 2.98Å; S818-S822 WeakPolarHBondContact O-CB 3.28Å; S818-S822 PolarHBondContact O-N 3.49Å; S818-R845 VanDerWaalsContact CB-NH2 3.35Å
819	L	90.7	Very high	88	Confident	41 Å²	41	30.1 Å²	30.1	22%	0.215	16%	0.164	C	C	.	.	H	α-helix	trans	-69.1	-42.9	174.1	-175.5	58.5	0	0	0	111.1	P752 I756 V757 T760 I815 D816 L817 E821 S822 F823	P752-L819 HydrophobicContact CB-CD2 3.89Å; P752-L819 HydrophobicContact CG-CD2 4.31Å; I756-L819 HydrophobicContact CG2-CD2 4.13Å; V757-L819 HydrophobicContact CB-CD2 4.33Å; V757-L819 HydrophobicContact CG2-CD2 3.71Å; T760-L819 HydrophobicContact CG2-CG 4.23Å; I815-L819 PolarHBondContact O-N 2.87Å; I815-L819 VanDerWaalsContact O-N 3.15Å; D816-L819 WeakPolarHBondContact O-CB 3.44Å; D816-L819 PolarHBondContact O-N 2.63Å; L817-L819 VanDerWaalsContact C-N 3.29Å; L817-L819 PolarHBondContact O-N 2.6Å; L819-E821 VanDerWaalsContact C-N 3.33Å; L819-E821 PolarHBondContact O-N 3.21Å; L819-S822 WeakPolarHBondContact O-CB 3.23Å; L819-S822 PolarHBondContact O-N 3.39Å; L819-F823 WeakPolarHBondContact O-CB 3.29Å; L819-F823 PolarHBondContact O-N 2.92Å
820	C	91.4	Very high	88.1	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-40.1	173	-68.4	0	0	0	0	112.5	I789 D816 L817 F823 A824 F841	I789-C820 HydrophobicContact CG2-CB 4.48Å; D816-C820 PolarHBondContact O-N 3.22Å; D816-C820 PolarHBondContact O-SG 3.38Å; L817-C820 WeakPolarHBondContact O-CB 3.32Å; L817-C820 PolarHBondContact O-N 3.11Å; C820-F823 WeakPolarHBondContact O-CB 3.41Å; C820-F823 PolarHBondContact O-N 3.08Å; C820-A824 WeakPolarHBondContact O-CB 3.43Å; C820-A824 PolarHBondContact O-N 3.38Å; C820-F841 HydrophobicContact CB-CD1 4.37Å; C820-F841 HydrophobicContact CB-CE1 3.96Å; C820-F841 HydrophobicContact CB-CZ 4.14Å
821	E	91.7	Very high	87.9	Confident	9 Å²	9	37.8 Å²	37.8	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-69.3	-37.4	175.2	-71	174.5	132.5	0	0	112.6	L817 S818 L819 A824 R825 W838 F841 R845	L817-E821 VanDerWaalsContact O-CG 3.29Å; L817-E821 WeakPolarHBondContact O-CG 3.38Å; L817-E821 PolarHBondContact O-N 3.23Å; S818-E821 PolarHBondContact O-N 2.98Å; L819-E821 VanDerWaalsContact C-N 3.33Å; L819-E821 PolarHBondContact O-N 3.21Å; E821-A824 PolarHBondContact O-N 3.49Å; E821-R825 WeakPolarHBondContact O-CG 3.49Å; E821-R825 PolarHBondContact O-N 3.48Å; E821-W838 PolarHBondContact OE1-NE1 2.81Å; E821-F841 HydrophobicContact CG-CB 3.78Å; E821-F841 HydrophobicContact CG-CG 4.27Å; E821-R845 WeakPolarHBondContact OE1-CB 3.08Å; E821-R845 WeakPolarHBondContact OE1-CG 3.34Å; E821-R845 IonicContact OE1-NE 2.81Å; E821-R845 PolarHBondContact OE1-NE 3.47Å; E821-R845 IonicContact OE2-CZ 2.71Å; E821-R845 VanDerWaalsContact OE2-CZ 3.26Å; E821-R845 IonicContact OE2-NE 3.6Å; E821-R845 PolarHBondContact OE2-NE 3.03Å; E821-R845 IonicContact OE2-NH2 3.34Å; E821-R845 PolarHBondContact OE2-NH2 2.96Å
822	S	89.7	Confident	87.8	Confident	70 Å²	70	35.6 Å²	35.6	49%	0.49	21%	0.214	S	C	.	.	H	α-helix	trans	-63.7	-45.2	174	-177.2	0	0	0	0	110.7	S818 L819 A824 R825 S826	S818-S822 WeakPolarHBondContact O-CB 3.28Å; S818-S822 PolarHBondContact O-N 3.49Å; L819-S822 WeakPolarHBondContact O-CB 3.23Å; L819-S822 PolarHBondContact O-N 3.39Å; S822-A824 VanDerWaalsContact C-N 3.33Å; S822-A824 PolarHBondContact O-N 3.46Å; S822-R825 PolarHBondContact O-N 2.89Å; S822-S826 PolarHBondContact O-N 2.96Å
823	F	90.2	Very high	87.7	Confident	15 Å²	15	38 Å²	38	7%	0.066	23%	0.228	C	C	.	.	H	α-helix	trans	-56	-47.1	171.7	173.2	-98.8	0	0	0	111.1	T760 L763 K764 F767 L819 C820 R825 S826 P828	T760-F823 HydrophobicContact CG2-CB 3.98Å; T760-F823 HydrophobicContact CG2-CD2 4.44Å; T760-F823 HydrophobicContact CG2-CG 4.17Å; L763-F823 HydrophobicContact CB-CE2 4.08Å; L763-F823 HydrophobicContact CB-CZ 3.76Å; L763-F823 HydrophobicContact CD1-CE1 4.34Å; L763-F823 HydrophobicContact CD1-CZ 4.37Å; K764-F823 HydrophobicContact CB-CE2 4.21Å; F767-F823 AromaticContact CD2-CZ 3.88Å; F767-F823 HydrophobicContact CD2-CZ 3.88Å; F767-F823 HydrophobicContact CE2-CE1 4.37Å; F767-F823 AromaticContact CE2-CZ 3.84Å; F767-F823 HydrophobicContact CE2-CZ 3.84Å; L819-F823 WeakPolarHBondContact O-CB 3.29Å; L819-F823 PolarHBondContact O-N 2.92Å; C820-F823 WeakPolarHBondContact O-CB 3.41Å; C820-F823 PolarHBondContact O-N 3.08Å; F823-R825 VanDerWaalsContact C-N 3.32Å; F823-R825 PolarHBondContact O-N 3.04Å; F823-S826 WeakPolarHBondContact O-CB 3.38Å; F823-S826 PolarHBondContact O-N 2.7Å; F823-S826 VanDerWaalsContact O-N 3.11Å; F823-S826 PolarHBondContact O-OG 2.96Å; F823-P828 HydrophobicContact CE1-CB 4.31Å; F823-P828 HydrophobicContact CE1-CG 4.01Å; F823-P828 HydrophobicContact CE2-CB 3.96Å; F823-P828 HydrophobicContact CE2-CG 4.47Å; F823-P828 HydrophobicContact CZ-CB 3.67Å; F823-P828 HydrophobicContact CZ-CG 3.88Å
824	A	89	Confident	87.2	Confident	1 Å²	1	45 Å²	45	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-40.7	177.6	0	0	0	0	0	113.4	C820 E821 S822 S826 L837 F841	C820-A824 WeakPolarHBondContact O-CB 3.43Å; C820-A824 PolarHBondContact O-N 3.38Å; E821-A824 PolarHBondContact O-N 3.49Å; S822-A824 VanDerWaalsContact C-N 3.33Å; S822-A824 PolarHBondContact O-N 3.46Å; A824-S826 VanDerWaalsContact C-N 3.3Å; A824-S826 PolarHBondContact O-N 3.37Å; A824-L837 HydrophobicContact CB-CB 4.3Å; A824-L837 HydrophobicContact CB-CD2 3.5Å; A824-L837 VanDerWaalsContact CB-CD2 3.5Å; A824-L837 HydrophobicContact CB-CG 4.28Å; A824-F841 HydrophobicContact CB-CD2 4.2Å; A824-F841 HydrophobicContact CB-CE2 3.94Å
825	R	87.6	Confident	87	Confident	119 Å²	119	47.9 Å²	47.9	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-71.7	-22.8	177.6	-72.5	-178.2	-173.5	107.3	-10.1	113.6	E821 S822 F823 Q827 W838	E821-R825 WeakPolarHBondContact O-CG 3.49Å; E821-R825 PolarHBondContact O-N 3.48Å; S822-R825 PolarHBondContact O-N 2.89Å; F823-R825 VanDerWaalsContact C-N 3.32Å; F823-R825 PolarHBondContact O-N 3.04Å; R825-Q827 PolarHBondContact O-N 3.37Å; R825-Q827 VanDerWaalsContact O-N 3.15Å; R825-W838 VanDerWaalsContact NH2-CE2 3.3Å
826	S	86.7	Confident	86.8	Confident	70 Å²	70	49.1 Å²	49.1	49%	0.49	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-8	178.8	77.1	0	0	0	0	113.8	S822 F823 A824	S822-S826 PolarHBondContact O-N 2.96Å; F823-S826 WeakPolarHBondContact O-CB 3.38Å; F823-S826 PolarHBondContact O-N 2.7Å; F823-S826 VanDerWaalsContact O-N 3.11Å; F823-S826 PolarHBondContact O-OG 2.96Å; A824-S826 VanDerWaalsContact C-N 3.3Å; A824-S826 PolarHBondContact O-N 3.37Å
827	Q	83.4	Confident	86.6	Confident	65 Å²	65	49.2 Å²	49.2	30%	0.304	28%	0.282	S	S	.	.			trans	57.7	65.4	-178.5	-165.6	175.6	2.2	0	0	111.5	R825 V829 L832 R834	R825-Q827 PolarHBondContact O-N 3.37Å; R825-Q827 VanDerWaalsContact O-N 3.15Å; Q827-V829 PolarHBondContact O-N 2.84Å; Q827-V829 VanDerWaalsContact O-N 3.13Å; Q827-L832 PolarHBondContact NE2-O 3.25Å; Q827-R834 HydrophobicContact CB-CG 4.38Å
828	P	82.8	Confident	86.3	Confident	13 Å²	13	52.6 Å²	52.6	8%	0.084	29%	0.294	C	S	.	.	S	Bend	trans	-62.8	-23	-172.8	26.3	-36.3	0	0	0	113.8	F767 F823 L837	F767-P828 HydrophobicContact CD2-CB 3.91Å; F823-P828 HydrophobicContact CE1-CB 4.31Å; F823-P828 HydrophobicContact CE1-CG 4.01Å; F823-P828 HydrophobicContact CE2-CB 3.96Å; F823-P828 HydrophobicContact CE2-CG 4.47Å; F823-P828 HydrophobicContact CZ-CB 3.67Å; F823-P828 HydrophobicContact CZ-CG 3.88Å; P828-L837 HydrophobicContact CG-CD2 4.38Å
829	V	85.7	Confident	86.2	Confident	5 Å²	5	53 Å²	53	3%	0.03	29%	0.292	C	S	.	.	S	Bend	trans	-127.5	132.1	174.3	178.2	0	0	0	0	109.8	F767 A778 Q779 C782 Q827 L832	F767-V829 HydrophobicContact CB-CG2 3.96Å; F767-V829 HydrophobicContact CD1-CG2 3.9Å; F767-V829 HydrophobicContact CG-CG2 3.88Å; A778-V829 HydrophobicContact CB-CG1 3.63Å; A778-V829 HydrophobicContact CB-CG2 4.48Å; Q779-V829 HydrophobicContact CG-CG1 4.05Å; C782-V829 HydrophobicContact CB-CB 4.4Å; C782-V829 HydrophobicContact CB-CG2 3.8Å; Q827-V829 PolarHBondContact O-N 2.84Å; Q827-V829 VanDerWaalsContact O-N 3.13Å; V829-L832 HydrophobicContact CB-CD1 3.97Å
830	P	83.3	Confident	86.2	Confident	107 Å²	107	52.5 Å²	52.5	70%	0.695	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	141.7	176.5	-25.1	34.3	0	0	0	113.4	Q779 L832	Q779-P830 PolarHBondContact NE2-O 3.26Å; Q779-P830 VanDerWaalsContact NE2-O 3.07Å; P830-L832 PolarHBondContact O-N 3.36Å
831	G	83.2	Confident	86.3	Confident	60 Å²	60	52.4 Å²	52.4	62%	0.619	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-6.4	177	0	0	0	0	0	116.2
832	L	82.9	Confident	86.2	Confident	21 Å²	21	52 Å²	52	11%	0.11	29%	0.287	C	S	.	.			trans	-77.5	132.6	167.7	-73.8	168.4	0	0	0	111.1	Q779 C782 M783 Q827 V829 P830 R834 L837	Q779-L832 HydrophobicContact CB-CD2 3.85Å; Q779-L832 HydrophobicContact CB-CG 4.1Å; Q779-L832 HydrophobicContact CG-CD2 4.13Å; Q779-L832 HydrophobicContact CG-CG 3.94Å; C782-L832 HydrophobicContact CB-CD1 3.72Å; M783-L832 HydrophobicContact CE-CD2 3.94Å; Q827-L832 PolarHBondContact NE2-O 3.25Å; V829-L832 HydrophobicContact CB-CD1 3.97Å; P830-L832 PolarHBondContact O-N 3.36Å; L832-R834 PolarHBondContact O-N 3.29Å; L832-L837 HydrophobicContact CD1-CD1 3.75Å
833	D	82.1	Confident	86.2	Confident	82 Å²	82	52.6 Å²	52.6	44%	0.439	28%	0.284	S	S	.	.			trans	-66.8	126.2	169.9	168.4	44.5	0	0	0	110.6	T835 T836 L837	D833-T835 PolarHBondContact O-N 3.18Å; D833-T835 PolarHBondContact OD1-N 3.16Å; D833-T835 PolarHBondContact OD1-OG1 3.2Å; D833-T835 VanDerWaalsContact OD2-CB 3.3Å; D833-T835 WeakPolarHBondContact OD2-CB 3.24Å; D833-T835 PolarHBondContact OD2-N 3.26Å; D833-T836 PolarHBondContact O-N 2.96Å; D833-T836 WeakPolarHBondContact OD2-CB 3.39Å; D833-T836 PolarHBondContact OD2-N 3.11Å; D833-T836 PolarHBondContact OD2-OG1 3Å; D833-L837 PolarHBondContact O-N 3.5Å
834	R	77.9	Confident	86.2	Confident	149 Å²	149	52.3 Å²	52.3	56%	0.562	28%	0.284	S	S	*	.	H	α-helix	trans	-60.7	-35.3	-178.5	-63.5	-179.5	-175.6	178.1	-0.9	111.6	Q827 L832 W838	Q827-R834 HydrophobicContact CB-CG 4.38Å; L832-R834 PolarHBondContact O-N 3.29Å; R834-W838 WeakPolarHBondContact O-CB 3.49Å; R834-W838 PolarHBondContact O-N 3.27Å
835	T	84.2	Confident	86.4	Confident	80 Å²	80	53.8 Å²	53.8	49%	0.491	29%	0.289	S	S	.	.	H	α-helix	trans	-68.8	-46.9	-179	-43.4	0	0	0	0	110	D833 L837 W838 L839	D833-T835 PolarHBondContact O-N 3.18Å; D833-T835 PolarHBondContact OD1-N 3.16Å; D833-T835 PolarHBondContact OD1-OG1 3.2Å; D833-T835 VanDerWaalsContact OD2-CB 3.3Å; D833-T835 WeakPolarHBondContact OD2-CB 3.24Å; D833-T835 PolarHBondContact OD2-N 3.26Å; T835-L837 VanDerWaalsContact C-N 3.35Å; T835-L837 PolarHBondContact O-N 3.31Å; T835-W838 PolarHBondContact O-N 2.94Å; T835-L839 HydrophobicContact CG2-CD1 4.17Å; T835-L839 HydrophobicContact CG2-CG 4.36Å; T835-L839 WeakPolarHBondContact O-CB 3.4Å; T835-L839 VanDerWaalsContact O-CG 3.22Å; T835-L839 WeakPolarHBondContact O-CG 3.44Å; T835-L839 PolarHBondContact O-N 3.45Å
836	T	86	Confident	86.6	Confident	69 Å²	69	49.8 Å²	49.8	42%	0.423	28%	0.275	S	S	.	.	H	α-helix	trans	-58	-44	179.7	-58	0	0	0	0	112.2	M783 D833	M783-T836 HydrophobicContact CE-CG2 3.83Å; D833-T836 PolarHBondContact O-N 2.96Å; D833-T836 WeakPolarHBondContact OD2-CB 3.39Å; D833-T836 PolarHBondContact OD2-N 3.11Å; D833-T836 PolarHBondContact OD2-OG1 3Å
837	L	86.3	Confident	86.8	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-69.5	-40.3	179.9	-141.8	100.7	0	0	0	112.4	M783 C786 A824 P828 L832 D833 T835 L839 I840	M783-L837 HydrophobicContact CE-CD1 3.94Å; C786-L837 HydrophobicContact CB-CD2 4.47Å; C786-L837 HydrophobicContact CB-CG 4.39Å; C786-L837 VanDerWaalsContact SG-CD2 3.52Å; A824-L837 HydrophobicContact CB-CB 4.3Å; A824-L837 HydrophobicContact CB-CD2 3.5Å; A824-L837 VanDerWaalsContact CB-CD2 3.5Å; A824-L837 HydrophobicContact CB-CG 4.28Å; P828-L837 HydrophobicContact CG-CD2 4.38Å; L832-L837 HydrophobicContact CD1-CD1 3.75Å; D833-L837 PolarHBondContact O-N 3.5Å; T835-L837 VanDerWaalsContact C-N 3.35Å; T835-L837 PolarHBondContact O-N 3.31Å; L837-L839 VanDerWaalsContact C-N 3.35Å; L837-I840 HydrophobicContact CG-CD1 4.16Å; L837-I840 WeakPolarHBondContact O-CB 3.16Å; L837-I840 WeakPolarHBondContact O-CD1 3.24Å; L837-I840 WeakPolarHBondContact O-CG1 3.41Å; L837-I840 PolarHBondContact O-N 2.89Å
838	W	86.2	Confident	87.1	Confident	72 Å²	72	43.5 Å²	43.5	27%	0.273	24%	0.238	S	C	.	.	H	α-helix	trans	-66.2	-37.5	178.1	177.8	71	0	0	0	112.2	E821 R825 R834 T835 I840 F841 A842	E821-W838 PolarHBondContact OE1-NE1 2.81Å; R825-W838 VanDerWaalsContact NH2-CE2 3.3Å; R834-W838 WeakPolarHBondContact O-CB 3.49Å; R834-W838 PolarHBondContact O-N 3.27Å; T835-W838 PolarHBondContact O-N 2.94Å; W838-I840 PolarHBondContact O-N 3.22Å; W838-I840 VanDerWaalsContact O-N 3.1Å; W838-F841 PolarHBondContact O-N 2.93Å; W838-A842 HydrophobicContact CH2-CB 4.41Å; W838-A842 HydrophobicContact CZ3-CB 4.42Å
839	L	89.2	Confident	87.5	Confident	61 Å²	61	44.9 Å²	44.9	32%	0.319	25%	0.245	S	C	.	.	H	α-helix	trans	-59.9	-21.9	178.7	-76.3	176	0	0	0	113.9	T835 L837 F841 A842	T835-L839 HydrophobicContact CG2-CD1 4.17Å; T835-L839 HydrophobicContact CG2-CG 4.36Å; T835-L839 WeakPolarHBondContact O-CB 3.4Å; T835-L839 VanDerWaalsContact O-CG 3.22Å; T835-L839 WeakPolarHBondContact O-CG 3.44Å; T835-L839 PolarHBondContact O-N 3.45Å; L837-L839 VanDerWaalsContact C-N 3.35Å; L839-F841 PolarHBondContact O-N 2.94Å; L839-A842 HydrophobicContact CD2-CB 4.33Å; L839-A842 WeakPolarHBondContact O-CB 3.32Å; L839-A842 PolarHBondContact O-N 3.06Å
840	I	90.4	Very high	87.6	Confident	31 Å²	31	44.6 Å²	44.6	16%	0.159	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-33.3	174.8	-58.9	168.5	0	0	0	111.5	M783 C786 K787 A790 L837 W838	M783-I840 HydrophobicContact SD-CD1 3.47Å; M783-I840 WeakPolarHBondContact SD-CD1 3.46Å; M783-I840 HydrophobicContact SD-CG1 4.28Å; C786-I840 HydrophobicContact CB-CD1 3.68Å; K787-I840 HydrophobicContact CB-CG2 4.35Å; K787-I840 HydrophobicContact CG-CD1 4.15Å; K787-I840 HydrophobicContact CG-CG1 4.31Å; K787-I840 HydrophobicContact CG-CG2 3.89Å; A790-I840 HydrophobicContact CB-CG2 3.78Å; L837-I840 HydrophobicContact CG-CD1 4.16Å; L837-I840 WeakPolarHBondContact O-CB 3.16Å; L837-I840 WeakPolarHBondContact O-CD1 3.24Å; L837-I840 WeakPolarHBondContact O-CG1 3.41Å; L837-I840 PolarHBondContact O-N 2.89Å; W838-I840 PolarHBondContact O-N 3.22Å; W838-I840 VanDerWaalsContact O-N 3.1Å
841	F	92.9	Very high	87.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-95.4	-9.6	-177.5	-62.2	-74.4	0	0	0	113.2	C786 I789 A790 L817 C820 E821 A824 W838 L839 D843 L844 R845	C786-F841 HydrophobicContact CB-CE2 4.14Å; C786-F841 HydrophobicContact CB-CZ 4.08Å; I789-F841 HydrophobicContact CB-CE1 4.14Å; I789-F841 HydrophobicContact CB-CZ 4.31Å; I789-F841 HydrophobicContact CG2-CE1 3.81Å; I789-F841 HydrophobicContact CG2-CZ 4.23Å; A790-F841 HydrophobicContact CB-CD1 3.86Å; A790-F841 HydrophobicContact CB-CE1 3.89Å; L817-F841 HydrophobicContact CD1-CB 4.02Å; L817-F841 HydrophobicContact CD1-CD1 3.7Å; L817-F841 HydrophobicContact CD1-CG 4.23Å; C820-F841 HydrophobicContact CB-CD1 4.37Å; C820-F841 HydrophobicContact CB-CE1 3.96Å; C820-F841 HydrophobicContact CB-CZ 4.14Å; E821-F841 HydrophobicContact CG-CB 3.78Å; E821-F841 HydrophobicContact CG-CG 4.27Å; A824-F841 HydrophobicContact CB-CD2 4.2Å; A824-F841 HydrophobicContact CB-CE2 3.94Å; W838-F841 PolarHBondContact O-N 2.93Å; L839-F841 PolarHBondContact O-N 2.94Å; F841-D843 PolarHBondContact O-N 3.29Å; F841-L844 PolarHBondContact O-N 2.79Å; F841-R845 PolarHBondContact O-N 2.95Å
842	A	89.9	Confident	88	Confident	1 Å²	1	42 Å²	42	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-37.3	-171	0	0	0	0	0	113.4	W838 L839 L844 R845 Q846	W838-A842 HydrophobicContact CH2-CB 4.41Å; W838-A842 HydrophobicContact CZ3-CB 4.42Å; L839-A842 HydrophobicContact CD2-CB 4.33Å; L839-A842 WeakPolarHBondContact O-CB 3.32Å; L839-A842 PolarHBondContact O-N 3.06Å; A842-L844 PolarHBondContact O-N 3.2Å; A842-R845 PolarHBondContact O-N 3.5Å; A842-Q846 WeakPolarHBondContact O-CB 3.3Å; A842-Q846 WeakPolarHBondContact O-CG 3.24Å; A842-Q846 PolarHBondContact O-N 3.24Å
843	D	89.6	Confident	88.1	Confident	81 Å²	81	47.2 Å²	47.2	43%	0.433	23%	0.226	S	C	.	.	H	α-helix	trans	-62.9	-44	-179.5	-60.1	-1.5	0	0	0	111.1	F841 L847 R878	F841-D843 PolarHBondContact O-N 3.29Å; D843-L847 WeakPolarHBondContact O-CB 3.48Å; D843-L847 PolarHBondContact O-N 3.36Å; D843-R878 HydrophobicContact CB-CB 4.45Å; D843-R878 WeakPolarHBondContact OD1-CB 3.32Å; D843-R878 VanDerWaalsContact OD1-CD 3.23Å; D843-R878 WeakPolarHBondContact OD1-CD 3.36Å; D843-R878 IonicContact OD1-CZ 2.82Å; D843-R878 IonicContact OD1-NE 3.17Å; D843-R878 IonicContact OD1-NH1 3.72Å; D843-R878 PolarHBondContact OD1-NH1 3.06Å
844	L	90.8	Very high	88.2	Confident	10 Å²	10	47 Å²	47	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-66.8	-43.6	175	-99.8	154	0	0	0	111.9	A790 L793 Y794 L797 L817 F841 A842 L847 L848	A790-L844 HydrophobicContact CB-CD1 4.31Å; A790-L844 WeakPolarHBondContact O-CD1 3.25Å; L793-L844 HydrophobicContact CB-CD1 4.15Å; Y794-L844 HydrophobicContact CD2-CG 4.42Å; L797-L844 HydrophobicContact CD1-CD2 3.72Å; L817-L844 HydrophobicContact CD1-CB 4.33Å; L817-L844 HydrophobicContact CD2-CB 3.9Å; F841-L844 PolarHBondContact O-N 2.79Å; A842-L844 PolarHBondContact O-N 3.2Å; L844-L847 PolarHBondContact O-N 3.37Å; L844-L848 WeakPolarHBondContact O-CG 3.45Å; L844-L848 PolarHBondContact O-N 3.41Å
845	R	93.4	Very high	88.7	Confident	31 Å²	31	42.3 Å²	42.3	12%	0.117	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-49.3	179	173.2	57.8	65.4	-158.9	-2.7	111.2	S814 L817 S818 E821 F841 A842 L847 L848 D849	S814-R845 PolarHBondContact O-NH1 3.36Å; S814-R845 PolarHBondContact O-NH2 2.81Å; S814-R845 PolarHBondContact OG-NH1 2.74Å; L817-R845 HydrophobicContact CD2-CB 3.99Å; S818-R845 VanDerWaalsContact CB-NH2 3.35Å; E821-R845 WeakPolarHBondContact OE1-CB 3.08Å; E821-R845 WeakPolarHBondContact OE1-CG 3.34Å; E821-R845 IonicContact OE1-NE 2.81Å; E821-R845 PolarHBondContact OE1-NE 3.47Å; E821-R845 IonicContact OE2-CZ 2.71Å; E821-R845 VanDerWaalsContact OE2-CZ 3.26Å; E821-R845 IonicContact OE2-NE 3.6Å; E821-R845 PolarHBondContact OE2-NE 3.03Å; E821-R845 IonicContact OE2-NH2 3.34Å; E821-R845 PolarHBondContact OE2-NH2 2.96Å; F841-R845 PolarHBondContact O-N 2.95Å; A842-R845 PolarHBondContact O-N 3.5Å; R845-L847 VanDerWaalsContact C-N 3.27Å; R845-L847 PolarHBondContact O-N 2.91Å; R845-L848 PolarHBondContact O-N 3.27Å; R845-D849 VanDerWaalsContact CD-OD1 3.24Å; R845-D849 WeakPolarHBondContact CD-OD1 3.38Å; R845-D849 IonicContact NH1-OD1 2.93Å; R845-D849 WeakPolarHBondContact O-CB 3.41Å; R845-D849 PolarHBondContact O-N 3.06Å
846	Q	91.8	Very high	88.8	Confident	35 Å²	35	38.8 Å²	38.8	16%	0.164	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-37.6	178.3	-70.9	-173	6	0	0	111.7	A842 L850 A875 Y876 V879	A842-Q846 WeakPolarHBondContact O-CB 3.3Å; A842-Q846 WeakPolarHBondContact O-CG 3.24Å; A842-Q846 PolarHBondContact O-N 3.24Å; Q846-L850 VanDerWaalsContact O-CB 3.25Å; Q846-L850 WeakPolarHBondContact O-CB 3.41Å; Q846-L850 PolarHBondContact O-N 3.43Å; Q846-A875 VanDerWaalsContact CG-O 3.3Å; Q846-A875 WeakPolarHBondContact CG-O 3.41Å; Q846-A875 PolarHBondContact NE2-O 2.89Å; Q846-Y876 HydrophobicContact CB-CD1 4.45Å; Q846-Y876 WeakPolarHBondContact O-CD1 3.31Å; Q846-Y876 VanDerWaalsContact OE1-CA 3.26Å; Q846-V879 HydrophobicContact CB-CG2 3.6Å
847	L	91	Very high	88.8	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-46.8	176	176.8	66.5	0	0	0	112	L797 F798 D843 L844 R845 Y851 V879 V883 L887	L797-L847 HydrophobicContact CD1-CD2 4.13Å; F798-L847 HydrophobicContact CE2-CD2 3.76Å; F798-L847 HydrophobicContact CZ-CD2 3.85Å; D843-L847 WeakPolarHBondContact O-CB 3.48Å; D843-L847 PolarHBondContact O-N 3.36Å; L844-L847 PolarHBondContact O-N 3.37Å; R845-L847 VanDerWaalsContact C-N 3.27Å; R845-L847 PolarHBondContact O-N 2.91Å; L847-Y851 PolarHBondContact O-N 3.04Å; L847-V879 HydrophobicContact CB-CG1 4.38Å; L847-V879 HydrophobicContact CB-CG2 4.04Å; L847-V879 HydrophobicContact CD1-CG1 3.67Å; L847-V883 HydrophobicContact CD1-CG1 4.28Å; L847-V883 HydrophobicContact CD2-CG1 3.86Å; L847-L887 HydrophobicContact CD1-CD2 3.77Å; L847-L887 HydrophobicContact CD2-CD2 4.39Å; L847-L887 HydrophobicContact CG-CD2 3.95Å
848	L	90.1	Very high	88.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-68.4	-39.6	179.2	-68.2	179.8	0	0	0	111.9	L797 L810 L813 L817 L844 R845 Y851 H852	L797-L848 HydrophobicContact CD1-CD2 4.26Å; L810-L848 HydrophobicContact CD2-CD2 3.52Å; L813-L848 HydrophobicContact CD2-CD1 4.3Å; L813-L848 HydrophobicContact CD2-CD2 4.39Å; L813-L848 HydrophobicContact CG-CD1 4.26Å; L817-L848 HydrophobicContact CD2-CD1 3.8Å; L844-L848 WeakPolarHBondContact O-CG 3.45Å; L844-L848 PolarHBondContact O-N 3.41Å; R845-L848 PolarHBondContact O-N 3.27Å; L848-Y851 PolarHBondContact O-N 2.88Å; L848-H852 WeakPolarHBondContact O-CB 3.45Å; L848-H852 PolarHBondContact O-N 3.31Å; L848-H852 PolarHBondContact O-ND1 2.72Å
849	D	90	Very high	88.6	Confident	42 Å²	42	40.2 Å²	40.2	23%	0.225	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-41.2	176.5	-83.3	19.6	0	0	0	111.6	R845 Y851 H852 K853 Y876	R845-D849 VanDerWaalsContact CD-OD1 3.24Å; R845-D849 WeakPolarHBondContact CD-OD1 3.38Å; R845-D849 IonicContact NH1-OD1 2.93Å; R845-D849 WeakPolarHBondContact O-CB 3.41Å; R845-D849 PolarHBondContact O-N 3.06Å; D849-Y851 PolarHBondContact O-N 3.26Å; D849-H852 PolarHBondContact O-N 3.37Å; D849-K853 VanDerWaalsContact O-CB 3.27Å; D849-K853 WeakPolarHBondContact O-CB 3.21Å; D849-K853 WeakPolarHBondContact O-CG 3.43Å; D849-K853 PolarHBondContact O-N 3.11Å; D849-K853 IonicContact OD2-NZ 2.84Å; D849-K853 PolarHBondContact OD2-NZ 3.24Å; D849-Y876 HydrophobicContact CB-CE1 4.23Å
850	L	89.2	Confident	88.3	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.8	-41.1	175.8	177.7	58.6	0	0	0	111.3	Q846 D854 D855 W856 Y859 Y876 V879	Q846-L850 VanDerWaalsContact O-CB 3.25Å; Q846-L850 WeakPolarHBondContact O-CB 3.41Å; Q846-L850 PolarHBondContact O-N 3.43Å; L850-D854 PolarHBondContact O-N 3.08Å; L850-D855 HydrophobicContact CD1-CB 4.2Å; L850-D855 PolarHBondContact O-N 3.02Å; L850-W856 HydrophobicContact CD1-CD2 4.38Å; L850-W856 HydrophobicContact CD1-CE3 4.17Å; L850-W856 HydrophobicContact CD1-CZ3 4.41Å; L850-W856 HydrophobicContact CD2-CE3 3.87Å; L850-W856 HydrophobicContact CD2-CH2 3.81Å; L850-W856 HydrophobicContact CD2-CZ3 3.36Å; L850-W856 HydrophobicContact CG-CD2 4.25Å; L850-W856 HydrophobicContact CG-CE3 3.88Å; L850-W856 HydrophobicContact CG-CH2 3.79Å; L850-W856 HydrophobicContact CG-CZ2 4.13Å; L850-W856 HydrophobicContact CG-CZ3 3.65Å; L850-Y859 HydrophobicContact CD1-CG 4.08Å; L850-Y859 HydrophobicContact CD2-CD1 4.04Å; L850-Y859 HydrophobicContact CD2-CD2 4.05Å; L850-Y859 HydrophobicContact CD2-CE1 4.39Å; L850-Y859 HydrophobicContact CD2-CE2 4.4Å; L850-Y859 HydrophobicContact CD2-CG 3.86Å; L850-Y876 HydrophobicContact CB-CD1 3.74Å; L850-Y876 HydrophobicContact CB-CE1 3.91Å; L850-Y876 HydrophobicContact CB-CG 4.27Å; L850-Y876 HydrophobicContact CD1-CD1 4.31Å; L850-Y876 HydrophobicContact CD1-CD2 4.02Å; L850-Y876 HydrophobicContact CD1-CE1 4.37Å; L850-Y876 HydrophobicContact CD1-CE2 4.08Å; L850-Y876 HydrophobicContact CD1-CG 4.14Å; L850-V879 HydrophobicContact CD2-CG1 4.31Å
851	Y	88	Confident	87.8	Confident	37 Å²	37	38.4 Å²	38.4	15%	0.145	20%	0.202	C	C	.	.	H	α-helix	trans	-70.1	-52.1	175.5	178.2	-101.3	0	0	0	112.4	L810 L847 L848 D849 K853 D854 W856 L888 L891	L810-Y851 HydrophobicContact CB-CE1 4.43Å; L810-Y851 HydrophobicContact CD1-CD1 3.89Å; L810-Y851 HydrophobicContact CD1-CE1 3.5Å; L847-Y851 PolarHBondContact O-N 3.04Å; L848-Y851 PolarHBondContact O-N 2.88Å; D849-Y851 PolarHBondContact O-N 3.26Å; Y851-K853 PolarHBondContact O-N 2.74Å; Y851-D854 PolarHBondContact O-N 3.18Å; Y851-D854 VanDerWaalsContact O-N 3.14Å; Y851-W856 HydrophobicContact CD2-CZ2 4.15Å; Y851-L888 HydrophobicContact CD2-CD2 4.37Å; Y851-L891 HydrophobicContact CD2-CD1 3.83Å; Y851-L891 HydrophobicContact CE1-CD1 4.49Å; Y851-L891 HydrophobicContact CE2-CD1 3.24Å
852	H	86	Confident	87.2	Confident	75 Å²	75	40.6 Å²	40.6	35%	0.347	21%	0.212	S	C	.	.	H	α-helix	trans	-65.8	-34.9	-175.2	-78.2	82	0	0	0	113.3	Q811 L848 D849 D854	Q811-H852 WeakPolarHBondContact CA-NE2 3.48Å; Q811-H852 WeakPolarHBondContact CG-NE2 3.33Å; L848-H852 WeakPolarHBondContact O-CB 3.45Å; L848-H852 PolarHBondContact O-N 3.31Å; L848-H852 PolarHBondContact O-ND1 2.72Å; D849-H852 PolarHBondContact O-N 3.37Å; H852-D854 VanDerWaalsContact C-N 3.31Å
853	K	85.3	Confident	86.7	Confident	131 Å²	131	42.5 Å²	42.5	57%	0.57	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.2	177.5	-65	173.7	-178.2	162.2	0	113	D849 Y851 D855	D849-K853 VanDerWaalsContact O-CB 3.27Å; D849-K853 WeakPolarHBondContact O-CB 3.21Å; D849-K853 WeakPolarHBondContact O-CG 3.43Å; D849-K853 PolarHBondContact O-N 3.11Å; D849-K853 IonicContact OD2-NZ 2.84Å; D849-K853 PolarHBondContact OD2-NZ 3.24Å; Y851-K853 PolarHBondContact O-N 2.74Å; K853-D855 HydrophobicContact CB-CB 4.27Å; K853-D855 PolarHBondContact O-N 2.66Å
854	D	84.9	Confident	86.1	Confident	78 Å²	78	43.6 Å²	43.6	42%	0.417	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	35.1	-176.3	-168.3	34.8	0	0	0	112.8	L850 Y851 H852 W856 K915	L850-D854 PolarHBondContact O-N 3.08Å; Y851-D854 PolarHBondContact O-N 3.18Å; Y851-D854 VanDerWaalsContact O-N 3.14Å; H852-D854 VanDerWaalsContact C-N 3.31Å; D854-W856 PolarHBondContact O-N 3.29Å; D854-W856 VanDerWaalsContact O-N 3.1Å; D854-W856 VanDerWaalsContact OD1-CD1 3.22Å; D854-K915 IonicContact OD1-NZ 3.24Å; D854-K915 IonicContact OD2-NZ 2.64Å; D854-K915 PolarHBondContact OD2-NZ 3.35Å
855	D	86.8	Confident	85.1	Confident	50 Å²	50	48.7 Å²	48.7	27%	0.267	25%	0.247	S	C	.	.			trans	-88.5	29.9	-168.7	-154.6	9.2	0	0	0	113.3	L850 K853 N857 S858 Y859 Y876	L850-D855 HydrophobicContact CD1-CB 4.2Å; L850-D855 PolarHBondContact O-N 3.02Å; K853-D855 HydrophobicContact CB-CB 4.27Å; K853-D855 PolarHBondContact O-N 2.66Å; D855-N857 VanDerWaalsContact C-N 3.33Å; D855-N857 PolarHBondContact O-N 3.08Å; D855-S858 PolarHBondContact O-N 2.94Å; D855-S858 WeakPolarHBondContact OD1-CB 3.48Å; D855-S858 PolarHBondContact OD1-OG 3.08Å; D855-Y859 PolarHBondContact O-N 2.77Å; D855-Y876 HydrophobicContact CB-CE2 3.94Å; D855-Y876 WeakPolarHBondContact CB-OH 3.43Å; D855-Y876 WeakPolarHBondContact OD2-CE2 3.3Å; D855-Y876 PolarHBondContact OD2-OH 2.91Å
856	W	87.1	Confident	83.8	Confident	6 Å²	6	49 Å²	49	2%	0.023	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-36.3	-173.6	-62.2	103.4	0	0	0	113.1	L850 Y851 D854 Y859 I860 A884 L888 I919 L923	L850-W856 HydrophobicContact CD1-CD2 4.38Å; L850-W856 HydrophobicContact CD1-CE3 4.17Å; L850-W856 HydrophobicContact CD1-CZ3 4.41Å; L850-W856 HydrophobicContact CD2-CE3 3.87Å; L850-W856 HydrophobicContact CD2-CH2 3.81Å; L850-W856 HydrophobicContact CD2-CZ3 3.36Å; L850-W856 HydrophobicContact CG-CD2 4.25Å; L850-W856 HydrophobicContact CG-CE3 3.88Å; L850-W856 HydrophobicContact CG-CH2 3.79Å; L850-W856 HydrophobicContact CG-CZ2 4.13Å; L850-W856 HydrophobicContact CG-CZ3 3.65Å; Y851-W856 HydrophobicContact CD2-CZ2 4.15Å; D854-W856 PolarHBondContact O-N 3.29Å; D854-W856 VanDerWaalsContact O-N 3.1Å; D854-W856 VanDerWaalsContact OD1-CD1 3.22Å; W856-Y859 PolarHBondContact O-N 2.87Å; W856-I860 WeakPolarHBondContact O-CB 3.49Å; W856-I860 WeakPolarHBondContact O-CD1 3.42Å; W856-I860 WeakPolarHBondContact O-CG1 3.47Å; W856-I860 PolarHBondContact O-N 3.01Å; W856-A884 HydrophobicContact CH2-CB 4.35Å; W856-A884 HydrophobicContact CZ3-CB 3.83Å; W856-L888 HydrophobicContact CD2-CD1 4.35Å; W856-L888 HydrophobicContact CE3-CD1 4.16Å; W856-L888 HydrophobicContact CH2-CD1 3.93Å; W856-L888 HydrophobicContact CH2-CD2 3.98Å; W856-L888 HydrophobicContact CH2-CG 3.96Å; W856-L888 HydrophobicContact CZ2-CD1 4.13Å; W856-L888 HydrophobicContact CZ2-CD2 3.55Å; W856-L888 HydrophobicContact CZ2-CG 4.07Å; W856-L888 HydrophobicContact CZ3-CD1 3.95Å; W856-L888 HydrophobicContact CZ3-CG 4.46Å; W856-I919 HydrophobicContact CB-CD1 3.96Å; W856-I919 HydrophobicContact CB-CG1 4.24Å; W856-I919 HydrophobicContact CB-CG2 3.97Å; W856-I919 HydrophobicContact CD2-CG2 4.05Å; W856-I919 HydrophobicContact CE3-CG2 4.17Å; W856-I919 HydrophobicContact CG-CD1 3.93Å; W856-I919 HydrophobicContact CG-CG2 3.95Å; W856-L923 HydrophobicContact CE3-CD1 4.23Å; W856-L923 HydrophobicContact CZ3-CD1 4.24Å
857	N	85.7	Confident	82.2	Confident	108 Å²	108	52.5 Å²	52.5	58%	0.578	27%	0.271	S	S	*	.	H	α-helix	trans	-64.5	-45.3	179.2	-69.6	-27.3	0	0	0	111.2	D855 I860 A861	D855-N857 VanDerWaalsContact C-N 3.33Å; D855-N857 PolarHBondContact O-N 3.08Å; N857-I860 PolarHBondContact O-N 2.77Å; N857-A861 VanDerWaalsContact O-CB 3.26Å; N857-A861 WeakPolarHBondContact O-CB 3.38Å; N857-A861 PolarHBondContact O-N 3.35Å
858	S	83.9	Confident	80.5	Confident	64 Å²	64	56.1 Å²	56.1	45%	0.448	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-41.9	177.5	-50.5	0	0	0	0	111	D855 F862	D855-S858 PolarHBondContact O-N 2.94Å; D855-S858 WeakPolarHBondContact OD1-CB 3.48Å; D855-S858 PolarHBondContact OD1-OG 3.08Å; S858-F862 VanDerWaalsContact O-CB 3.28Å; S858-F862 WeakPolarHBondContact O-CB 3.47Å; S858-F862 PolarHBondContact O-N 2.84Å
859	Y	84.7	Confident	78.9	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-48.2	175.9	175.6	-105.1	0	0	0	112.7	L850 D855 W856 F862 R863 Y876 V879 P881 A884 L923	L850-Y859 HydrophobicContact CD1-CG 4.08Å; L850-Y859 HydrophobicContact CD2-CD1 4.04Å; L850-Y859 HydrophobicContact CD2-CD2 4.05Å; L850-Y859 HydrophobicContact CD2-CE1 4.39Å; L850-Y859 HydrophobicContact CD2-CE2 4.4Å; L850-Y859 HydrophobicContact CD2-CG 3.86Å; D855-Y859 PolarHBondContact O-N 2.77Å; W856-Y859 PolarHBondContact O-N 2.87Å; Y859-F862 PolarHBondContact O-N 3Å; Y859-R863 HydrophobicContact CD2-CG 4.35Å; Y859-R863 HydrophobicContact CE1-CG 4.18Å; Y859-R863 HydrophobicContact CE2-CG 3.88Å; Y859-R863 WeakPolarHBondContact O-CG 3.44Å; Y859-R863 PolarHBondContact O-N 2.91Å; Y859-R863 PolarHBondContact OH-NE 2.78Å; Y859-R863 VanDerWaalsContact OH-NE 3.08Å; Y859-Y876 HydrophobicContact CD2-CD2 4.4Å; Y859-Y876 HydrophobicContact CD2-CG 4.45Å; Y859-V879 PolarHBondContact OH-O 2.89Å; Y859-P881 WeakPolarHBondContact OH-CD 3.4Å; Y859-A884 HydrophobicContact CE1-CB 4.5Å; Y859-L923 HydrophobicContact CD1-CD2 3.94Å; Y859-L923 HydrophobicContact CE1-CD2 3.64Å
860	I	83.3	Confident	77.2	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-64.7	-46.3	178.7	-70.2	164.1	0	0	0	110.8	W856 N857 F862 R863 K864 I919 Q922 L923 L926	W856-I860 WeakPolarHBondContact O-CB 3.49Å; W856-I860 WeakPolarHBondContact O-CD1 3.42Å; W856-I860 WeakPolarHBondContact O-CG1 3.47Å; W856-I860 PolarHBondContact O-N 3.01Å; N857-I860 PolarHBondContact O-N 2.77Å; I860-F862 VanDerWaalsContact C-N 3.31Å; I860-F862 PolarHBondContact O-N 2.79Å; I860-R863 PolarHBondContact O-N 3.11Å; I860-K864 HydrophobicContact CG2-CD 4.23Å; I860-K864 HydrophobicContact CG2-CG 4.49Å; I860-K864 WeakPolarHBondContact O-CG 3.25Å; I860-K864 PolarHBondContact O-N 3.28Å; I860-I919 HydrophobicContact CD1-CG2 4.35Å; I860-Q922 HydrophobicContact CD1-CB 3.91Å; I860-Q922 HydrophobicContact CG2-CB 4.46Å; I860-L923 HydrophobicContact CD1-CD2 4.28Å; I860-L923 HydrophobicContact CD1-CG 4.27Å; I860-L923 HydrophobicContact CG1-CD2 3.77Å; I860-L923 HydrophobicContact CG1-CG 4.3Å; I860-L926 HydrophobicContact CB-CD1 4.29Å; I860-L926 HydrophobicContact CG1-CD1 4.2Å; I860-L926 HydrophobicContact CG2-CD1 3.94Å
861	A	80.5	Confident	75.5	Confident	50 Å²	50	66.9 Å²	66.9	41%	0.413	38%	0.376	S	S	.	.	H	α-helix	trans	-59.5	-44	178.8	0	0	0	0	0	111.4	N857 K864 N865	N857-A861 VanDerWaalsContact O-CB 3.26Å; N857-A861 WeakPolarHBondContact O-CB 3.38Å; N857-A861 PolarHBondContact O-N 3.35Å; A861-K864 PolarHBondContact O-N 3.28Å; A861-N865 PolarHBondContact O-N 2.89Å; A861-N865 PolarHBondContact O-ND2 3.03Å
862	F	78.4	Confident	73.8	Confident	47 Å²	47	75 Å²	75	21%	0.206	41%	0.408	C	S	.	.	H	α-helix	trans	-62.8	-49	175.8	-179	-96.1	0	0	0	111.9	S858 Y859 I860 K864 N865 V866 D877	S858-F862 VanDerWaalsContact O-CB 3.28Å; S858-F862 WeakPolarHBondContact O-CB 3.47Å; S858-F862 PolarHBondContact O-N 2.84Å; Y859-F862 PolarHBondContact O-N 3Å; I860-F862 VanDerWaalsContact C-N 3.31Å; I860-F862 PolarHBondContact O-N 2.79Å; F862-K864 VanDerWaalsContact C-N 3.31Å; F862-K864 PolarHBondContact O-N 3.45Å; F862-N865 PolarHBondContact O-N 2.69Å; F862-N865 VanDerWaalsContact O-N 3.08Å; F862-V866 HydrophobicContact CD1-CG2 3.88Å; F862-V866 HydrophobicContact CD2-CG2 4.28Å; F862-V866 HydrophobicContact CE1-CG2 3.4Å; F862-V866 HydrophobicContact CE2-CG2 3.85Å; F862-V866 HydrophobicContact CG-CG2 4.3Å; F862-V866 HydrophobicContact CZ-CG2 3.38Å; F862-V866 WeakPolarHBondContact O-CG2 3.32Å; F862-V866 PolarHBondContact O-N 2.98Å; F862-D877 WeakPolarHBondContact CE1-OD1 3.46Å; F862-D877 WeakPolarHBondContact CZ-OD1 3.36Å
863	R	80	Confident	72.8	Confident	40 Å²	40	74.6 Å²	74.6	15%	0.151	42%	0.424	C	S	.	.	H	α-helix	trans	-60.9	-37.5	178.9	-73.6	-67.5	-163.7	-138.4	6.7	112.5	Y859 I860 N865 V866 I867 D877 V879 L926	Y859-R863 HydrophobicContact CD2-CG 4.35Å; Y859-R863 HydrophobicContact CE1-CG 4.18Å; Y859-R863 HydrophobicContact CE2-CG 3.88Å; Y859-R863 WeakPolarHBondContact O-CG 3.44Å; Y859-R863 PolarHBondContact O-N 2.91Å; Y859-R863 PolarHBondContact OH-NE 2.78Å; Y859-R863 VanDerWaalsContact OH-NE 3.08Å; I860-R863 PolarHBondContact O-N 3.11Å; R863-N865 VanDerWaalsContact C-N 3.34Å; R863-N865 PolarHBondContact O-N 3.22Å; R863-V866 PolarHBondContact O-N 3.47Å; R863-I867 WeakPolarHBondContact O-CD1 3.27Å; R863-I867 VanDerWaalsContact O-CG1 3.3Å; R863-I867 WeakPolarHBondContact O-CG1 3.48Å; R863-I867 PolarHBondContact O-N 3.19Å; R863-D877 PolarHBondContact NH1-O 3.33Å; R863-D877 PolarHBondContact NH2-O 3.36Å; R863-V879 PolarHBondContact NH2-O 3.45Å; R863-L926 HydrophobicContact CB-CD1 3.96Å; R863-L926 HydrophobicContact CB-CD2 4.11Å
864	K	77	Confident	72.2	Confident	104 Å²	104	69.5 Å²	69.5	45%	0.452	41%	0.405	S	S	.	.	H	α-helix	trans	-61.7	-40.6	173.4	-73.8	-176	177.1	-179.1	0	112.1	I860 A861 F862 L926	I860-K864 HydrophobicContact CG2-CD 4.23Å; I860-K864 HydrophobicContact CG2-CG 4.49Å; I860-K864 WeakPolarHBondContact O-CG 3.25Å; I860-K864 PolarHBondContact O-N 3.28Å; A861-K864 PolarHBondContact O-N 3.28Å; F862-K864 VanDerWaalsContact C-N 3.31Å; F862-K864 PolarHBondContact O-N 3.45Å; K864-L926 HydrophobicContact CB-CD2 4.5Å; K864-L926 HydrophobicContact CG-CD2 3.63Å; K864-L926 HydrophobicContact CG-CG 4.35Å
865	N	70.7	Confident	71.9	Confident	118 Å²	118	69 Å²	69	63%	0.631	41%	0.411	S	S	*	.	H	α-helix	trans	-75.6	-31	-179.8	-70.8	-21.1	0	0	0	113.7	A861 F862 R863 S869	A861-N865 PolarHBondContact O-N 2.89Å; A861-N865 PolarHBondContact O-ND2 3.03Å; F862-N865 PolarHBondContact O-N 2.69Å; F862-N865 VanDerWaalsContact O-N 3.08Å; R863-N865 VanDerWaalsContact C-N 3.34Å; R863-N865 PolarHBondContact O-N 3.22Å; N865-S869 PolarHBondContact O-OG 3.16Å
866	V	65.2	Low	71.8	Confident	37 Å²	37	67 Å²	67	22%	0.224	40%	0.4	C	S	.	.	H	α-helix	trans	-73.5	-30	-179.4	172.7	0	0	0	0	112.7	F862 R863 G868 S869 K871	F862-V866 HydrophobicContact CD1-CG2 3.88Å; F862-V866 HydrophobicContact CD2-CG2 4.28Å; F862-V866 HydrophobicContact CE1-CG2 3.4Å; F862-V866 HydrophobicContact CE2-CG2 3.85Å; F862-V866 HydrophobicContact CG-CG2 4.3Å; F862-V866 HydrophobicContact CZ-CG2 3.38Å; F862-V866 WeakPolarHBondContact O-CG2 3.32Å; F862-V866 PolarHBondContact O-N 2.98Å; R863-V866 PolarHBondContact O-N 3.47Å; V866-G868 PolarHBondContact O-N 2.98Å; V866-S869 PolarHBondContact O-N 3.29Å; V866-S869 VanDerWaalsContact O-N 3.08Å; V866-K871 WeakPolarHBondContact CG2-O 3.18Å
867	I	58.3	Low	71.5	Confident	109 Å²	109	69 Å²	69	56%	0.559	41%	0.411	S	S	*	.	H	α-helix	trans	-54.3	-17.6	177.8	-68.4	162.2	0	0	0	112.3	R863 L926	R863-I867 WeakPolarHBondContact O-CD1 3.27Å; R863-I867 VanDerWaalsContact O-CG1 3.3Å; R863-I867 WeakPolarHBondContact O-CG1 3.48Å; R863-I867 PolarHBondContact O-N 3.19Å; I867-L926 HydrophobicContact CD1-CD2 3.69Å
868	G	55.1	Low	71.4	Confident	78 Å²	78	68.8 Å²	68.8	80%	0.804	40%	0.402	S	S	*	.	H	α-helix	trans	-117.3	-9.1	173.2	0	0	0	0	0	117.7	V866	V866-G868 PolarHBondContact O-N 2.98Å
869	S	56.7	Low	71.5	Confident	62 Å²	62	65.9 Å²	65.9	43%	0.434	38%	0.381	S	S	.	.	H	α-helix	trans	-121.9	-14	-162.8	63.1	0	0	0	0	116.9	N865 V866 K871	N865-S869 PolarHBondContact O-OG 3.16Å; V866-S869 PolarHBondContact O-N 3.29Å; V866-S869 VanDerWaalsContact O-N 3.08Å; S869-K871 PolarHBondContact O-N 3.14Å
870	G	53.7	Low	71.6	Confident	51 Å²	51	68.6 Å²	68.6	53%	0.526	40%	0.399	S	S	.	.			trans	61.7	13.5	179.8	0	0	0	0	0	115.4	Y872	G870-Y872 WeakPolarHBondContact O-CD2 3.38Å; G870-Y872 WeakPolarHBondContact O-CE2 3.41Å; G870-Y872 PolarHBondContact O-N 3.39Å
871	K	54.5	Low	71.6	Confident	155 Å²	155	69.6 Å²	69.6	67%	0.674	41%	0.406	S	S	*	.			trans	-79.7	115	177.5	-72.9	-174.6	177.7	-179.1	0	110.8	V866 S869	V866-K871 WeakPolarHBondContact CG2-O 3.18Å; S869-K871 PolarHBondContact O-N 3.14Å
872	Y	52	Low	71.9	Confident	209 Å²	209	70 Å²	70	82%	0.82	41%	0.405	S	S	*	.			trans	-87	144.1	168.3	-59.1	-83.8	0	0	0	109.7	G870	G870-Y872 WeakPolarHBondContact O-CD2 3.38Å; G870-Y872 WeakPolarHBondContact O-CE2 3.41Å; G870-Y872 PolarHBondContact O-N 3.39Å
873	G	65.7	Low	72.3	Confident	66 Å²	66	68.7 Å²	68.7	68%	0.68	40%	0.401	S	S	*	.			trans	146.5	12	177.3	0	0	0	0	0	117.3	D877	G873-D877 WeakPolarHBondContact CA-OD2 3.25Å; G873-D877 PolarHBondContact N-OD2 3.1Å
874	S	71.9	Confident	72.7	Confident	24 Å²	24	66.8 Å²	66.8	17%	0.168	39%	0.394	C	S	.	.			trans	-81.4	148.3	173	171.8	0	0	0	0	111.5	Y876 D877	S874-Y876 PolarHBondContact O-N 3.4Å; S874-Y876 PolarHBondContact OG-N 3.3Å; S874-D877 VanDerWaalsContact CB-OD1 3.25Å; S874-D877 WeakPolarHBondContact CB-OD1 3.41Å; S874-D877 VanDerWaalsContact N-CG 3.29Å; S874-D877 PolarHBondContact N-OD1 3.05Å; S874-D877 PolarHBondContact N-OD2 3.27Å; S874-D877 VanDerWaalsContact O-CG 3.27Å; S874-D877 PolarHBondContact O-N 3.24Å
875	A	78.2	Confident	73.1	Confident	67 Å²	67	62.3 Å²	62.3	55%	0.554	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-17.3	173.3	0	0	0	0	0	113.5	Q846	Q846-A875 VanDerWaalsContact CG-O 3.3Å; Q846-A875 WeakPolarHBondContact CG-O 3.41Å; Q846-A875 PolarHBondContact NE2-O 2.89Å
876	Y	84.6	Confident	73.9	Confident	9 Å²	9	60.9 Å²	60.9	4%	0.035	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	26.1	-175.8	-41.9	-72.3	0	0	0	113.3	Q846 D849 L850 D855 Y859 S874 R878 V879	Q846-Y876 HydrophobicContact CB-CD1 4.45Å; Q846-Y876 WeakPolarHBondContact O-CD1 3.31Å; Q846-Y876 VanDerWaalsContact OE1-CA 3.26Å; D849-Y876 HydrophobicContact CB-CE1 4.23Å; L850-Y876 HydrophobicContact CB-CD1 3.74Å; L850-Y876 HydrophobicContact CB-CE1 3.91Å; L850-Y876 HydrophobicContact CB-CG 4.27Å; L850-Y876 HydrophobicContact CD1-CD1 4.31Å; L850-Y876 HydrophobicContact CD1-CD2 4.02Å; L850-Y876 HydrophobicContact CD1-CE1 4.37Å; L850-Y876 HydrophobicContact CD1-CE2 4.08Å; L850-Y876 HydrophobicContact CD1-CG 4.14Å; D855-Y876 HydrophobicContact CB-CE2 3.94Å; D855-Y876 WeakPolarHBondContact CB-OH 3.43Å; D855-Y876 WeakPolarHBondContact OD2-CE2 3.3Å; D855-Y876 PolarHBondContact OD2-OH 2.91Å; Y859-Y876 HydrophobicContact CD2-CD2 4.4Å; Y859-Y876 HydrophobicContact CD2-CG 4.45Å; S874-Y876 PolarHBondContact O-N 3.4Å; S874-Y876 PolarHBondContact OG-N 3.3Å; Y876-R878 PolarHBondContact O-N 3.47Å; Y876-R878 VanDerWaalsContact O-N 3.11Å; Y876-V879 PolarHBondContact O-N 2.58Å; Y876-V879 VanDerWaalsContact O-N 3.16Å
877	D	82.3	Confident	74.9	Confident	46 Å²	46	59.1 Å²	59.1	25%	0.246	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-34.1	-177.3	-82.8	-24.2	0	0	0	113.7	F862 R863 G873 S874 V879	F862-D877 WeakPolarHBondContact CE1-OD1 3.46Å; F862-D877 WeakPolarHBondContact CZ-OD1 3.36Å; R863-D877 PolarHBondContact NH1-O 3.33Å; R863-D877 PolarHBondContact NH2-O 3.36Å; G873-D877 WeakPolarHBondContact CA-OD2 3.25Å; G873-D877 PolarHBondContact N-OD2 3.1Å; S874-D877 VanDerWaalsContact CB-OD1 3.25Å; S874-D877 WeakPolarHBondContact CB-OD1 3.41Å; S874-D877 VanDerWaalsContact N-CG 3.29Å; S874-D877 PolarHBondContact N-OD1 3.05Å; S874-D877 PolarHBondContact N-OD2 3.27Å; S874-D877 VanDerWaalsContact O-CG 3.27Å; S874-D877 PolarHBondContact O-N 3.24Å; D877-V879 PolarHBondContact O-N 3.47Å
878	R	82.9	Confident	76.3	Confident	105 Å²	105	54 Å²	54	40%	0.396	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.2	-174.2	-62.5	169.7	163.3	-79.8	-8.2	114.3	D843 Y876 P880	D843-R878 HydrophobicContact CB-CB 4.45Å; D843-R878 WeakPolarHBondContact OD1-CB 3.32Å; D843-R878 VanDerWaalsContact OD1-CD 3.23Å; D843-R878 WeakPolarHBondContact OD1-CD 3.36Å; D843-R878 IonicContact OD1-CZ 2.82Å; D843-R878 IonicContact OD1-NE 3.17Å; D843-R878 IonicContact OD1-NH1 3.72Å; D843-R878 PolarHBondContact OD1-NH1 3.06Å; Y876-R878 PolarHBondContact O-N 3.47Å; Y876-R878 VanDerWaalsContact O-N 3.11Å; R878-P880 VanDerWaalsContact O-CD 3.24Å; R878-P880 WeakPolarHBondContact O-CD 3.47Å
879	V	86.8	Confident	77.7	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.012	30%	0.298	C	S	.	.	S	Bend	trans	-91.2	107.6	-176.3	-177.9	0	0	0	0	110.3	Q846 L847 L850 Y859 R863 Y876 D877 A884	Q846-V879 HydrophobicContact CB-CG2 3.6Å; L847-V879 HydrophobicContact CB-CG1 4.38Å; L847-V879 HydrophobicContact CB-CG2 4.04Å; L847-V879 HydrophobicContact CD1-CG1 3.67Å; L850-V879 HydrophobicContact CD2-CG1 4.31Å; Y859-V879 PolarHBondContact OH-O 2.89Å; R863-V879 PolarHBondContact NH2-O 3.45Å; Y876-V879 PolarHBondContact O-N 2.58Å; Y876-V879 VanDerWaalsContact O-N 3.16Å; D877-V879 PolarHBondContact O-N 3.47Å; V879-A884 HydrophobicContact CG1-CB 4.22Å
880	P	85.5	Confident	78.9	Confident	57 Å²	57	52.3 Å²	52.3	37%	0.37	29%	0.288	S	S	.	.			trans	-66.9	144.9	178	-17.8	32.4	0	0	0	111.4	R878 S882 V883 A884	R878-P880 VanDerWaalsContact O-CD 3.24Å; R878-P880 WeakPolarHBondContact O-CD 3.47Å; P880-S882 PolarHBondContact O-N 2.96Å; P880-V883 HydrophobicContact CB-CG2 4.09Å; P880-V883 HydrophobicContact CG-CG2 3.86Å; P880-V883 PolarHBondContact O-N 2.96Å; P880-A884 PolarHBondContact O-N 3.04Å; P880-A884 VanDerWaalsContact O-N 3.11Å
881	P	84.4	Confident	80.2	Confident	25 Å²	25	50.1 Å²	50.1	16%	0.162	26%	0.264	C	S	.	.	H	α-helix	trans	-53.4	-37.5	175	-26	33.9	0	0	0	113	Y859 V883 A884 I885	Y859-P881 WeakPolarHBondContact OH-CD 3.4Å; P881-V883 PolarHBondContact O-N 2.93Å; P881-A884 PolarHBondContact O-N 2.85Å; P881-I885 WeakPolarHBondContact O-CD1 3.05Å; P881-I885 WeakPolarHBondContact O-CG1 3.38Å; P881-I885 PolarHBondContact O-N 3.43Å
882	S	86.4	Confident	81.6	Confident	58 Å²	58	44.8 Å²	44.8	41%	0.406	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-40	176.2	55.7	0	0	0	0	113.6	P880 K886	P880-S882 PolarHBondContact O-N 2.96Å; S882-K886 WeakPolarHBondContact O-CB 3.28Å; S882-K886 PolarHBondContact O-N 3.41Å
883	V	87.2	Confident	82.9	Confident	21 Å²	21	37.9 Å²	37.9	13%	0.127	22%	0.217	C	C	.	.	H	α-helix	trans	-72.6	-41.9	178.6	179	0	0	0	0	110.7	Y794 F798 L847 P880 P881 K886 L887	Y794-V883 HydrophobicContact CE2-CG1 4.11Å; F798-V883 HydrophobicContact CE2-CG1 3.78Å; F798-V883 HydrophobicContact CZ-CG1 3.69Å; L847-V883 HydrophobicContact CD1-CG1 4.28Å; L847-V883 HydrophobicContact CD2-CG1 3.86Å; P880-V883 HydrophobicContact CB-CG2 4.09Å; P880-V883 HydrophobicContact CG-CG2 3.86Å; P880-V883 PolarHBondContact O-N 2.96Å; P881-V883 PolarHBondContact O-N 2.93Å; V883-K886 WeakPolarHBondContact O-CB 3.26Å; V883-K886 PolarHBondContact O-N 3.48Å; V883-L887 PolarHBondContact O-N 3.38Å
884	A	87.2	Confident	83.4	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58	-47.8	173.7	0	0	0	0	0	112	W856 Y859 V879 P880 P881 K886 L887 L888 L923	W856-A884 HydrophobicContact CH2-CB 4.35Å; W856-A884 HydrophobicContact CZ3-CB 3.83Å; Y859-A884 HydrophobicContact CE1-CB 4.5Å; V879-A884 HydrophobicContact CG1-CB 4.22Å; P880-A884 PolarHBondContact O-N 3.04Å; P880-A884 VanDerWaalsContact O-N 3.11Å; P881-A884 PolarHBondContact O-N 2.85Å; A884-K886 VanDerWaalsContact C-N 3.34Å; A884-K886 PolarHBondContact O-N 2.98Å; A884-L887 PolarHBondContact O-N 3.17Å; A884-L888 WeakPolarHBondContact O-CG 3.42Å; A884-L888 PolarHBondContact O-N 3.48Å; A884-L888 VanDerWaalsContact O-N 3.11Å; A884-L923 HydrophobicContact CB-CD1 4.27Å
885	I	86.5	Confident	83.4	Confident	10 Å²	10	36.3 Å²	36.3	5%	0.051	19%	0.192	C	C	.	.	H	α-helix	trans	-57.4	-49.2	174.7	-68	161.3	0	0	0	110.1	P881 L887 L888 E889 L923 R924 N927	P881-I885 WeakPolarHBondContact O-CD1 3.05Å; P881-I885 WeakPolarHBondContact O-CG1 3.38Å; P881-I885 PolarHBondContact O-N 3.43Å; I885-L887 VanDerWaalsContact C-N 3.27Å; I885-L887 PolarHBondContact O-N 3.47Å; I885-L888 PolarHBondContact O-N 3.4Å; I885-E889 VanDerWaalsContact CG2-CD 3.46Å; I885-E889 HydrophobicContact CG2-CG 4.04Å; I885-E889 VanDerWaalsContact CG2-OE1 3.25Å; I885-E889 WeakPolarHBondContact CG2-OE1 3.17Å; I885-E889 WeakPolarHBondContact O-CB 3.38Å; I885-E889 VanDerWaalsContact O-CG 3.31Å; I885-E889 WeakPolarHBondContact O-CG 3.2Å; I885-E889 PolarHBondContact O-N 3.29Å; I885-L923 HydrophobicContact CD1-CB 3.95Å; I885-L923 HydrophobicContact CG1-CB 3.48Å; I885-L923 VanDerWaalsContact CG1-CB 3.48Å; I885-L923 HydrophobicContact CG1-CD1 4.21Å; I885-L923 HydrophobicContact CG1-CG 4.46Å; I885-R924 HydrophobicContact CD1-CG 4.04Å; I885-R924 HydrophobicContact CG2-CG 4.44Å; I885-N927 HydrophobicContact CD1-CB 3.96Å
886	K	86.4	Confident	83	Confident	87 Å²	87	38.4 Å²	38.4	38%	0.378	19%	0.188	S	C	.	.	H	α-helix	trans	-57.3	-39.8	-179.2	-169.5	-179.8	179.2	-176.8	0	112.1	F798 S882 V883 A884 R890	F798-K886 HydrophobicContact CD1-CB 4.38Å; F798-K886 HydrophobicContact CD1-CD 3.59Å; F798-K886 HydrophobicContact CD1-CG 3.72Å; F798-K886 HydrophobicContact CE1-CB 3.95Å; F798-K886 HydrophobicContact CE1-CD 3.98Å; F798-K886 HydrophobicContact CE1-CG 3.78Å; F798-K886 HydrophobicContact CG-CD 4.21Å; S882-K886 WeakPolarHBondContact O-CB 3.28Å; S882-K886 PolarHBondContact O-N 3.41Å; V883-K886 WeakPolarHBondContact O-CB 3.26Å; V883-K886 PolarHBondContact O-N 3.48Å; A884-K886 VanDerWaalsContact C-N 3.34Å; A884-K886 PolarHBondContact O-N 2.98Å; K886-R890 WeakPolarHBondContact O-CB 3.22Å; K886-R890 PolarHBondContact O-N 2.96Å; K886-R890 VanDerWaalsContact O-N 3.16Å
887	L	87.3	Confident	82.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.5	-51.1	177.6	-179.9	63.7	0	0	0	111.2	L797 F798 L805 L810 L847 V883 A884 I885 E889 R890 L891	L797-L887 HydrophobicContact CD2-CD1 4.32Å; F798-L887 HydrophobicContact CE1-CB 3.98Å; F798-L887 HydrophobicContact CE1-CD1 4.45Å; F798-L887 HydrophobicContact CZ-CB 3.94Å; F798-L887 HydrophobicContact CZ-CD1 4.4Å; L805-L887 HydrophobicContact CD2-CD1 3.64Å; L810-L887 HydrophobicContact CD2-CD1 4.33Å; L847-L887 HydrophobicContact CD1-CD2 3.77Å; L847-L887 HydrophobicContact CD2-CD2 4.39Å; L847-L887 HydrophobicContact CG-CD2 3.95Å; V883-L887 PolarHBondContact O-N 3.38Å; A884-L887 PolarHBondContact O-N 3.17Å; I885-L887 VanDerWaalsContact C-N 3.27Å; I885-L887 PolarHBondContact O-N 3.47Å; L887-E889 PolarHBondContact O-N 2.93Å; L887-R890 PolarHBondContact O-N 3.49Å; L887-L891 HydrophobicContact CD1-CD1 4.44Å; L887-L891 HydrophobicContact CG-CD1 4.22Å; L887-L891 PolarHBondContact O-N 2.9Å
888	L	86.9	Confident	81.2	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-65.1	-38.3	-177.6	-66.8	177	0	0	0	112.5	Y851 W856 A884 I885 R890 R892 L916 I919 I920 L923	Y851-L888 HydrophobicContact CD2-CD2 4.37Å; W856-L888 HydrophobicContact CD2-CD1 4.35Å; W856-L888 HydrophobicContact CE3-CD1 4.16Å; W856-L888 HydrophobicContact CH2-CD1 3.93Å; W856-L888 HydrophobicContact CH2-CD2 3.98Å; W856-L888 HydrophobicContact CH2-CG 3.96Å; W856-L888 HydrophobicContact CZ2-CD1 4.13Å; W856-L888 HydrophobicContact CZ2-CD2 3.55Å; W856-L888 HydrophobicContact CZ2-CG 4.07Å; W856-L888 HydrophobicContact CZ3-CD1 3.95Å; W856-L888 HydrophobicContact CZ3-CG 4.46Å; A884-L888 WeakPolarHBondContact O-CG 3.42Å; A884-L888 PolarHBondContact O-N 3.48Å; A884-L888 VanDerWaalsContact O-N 3.11Å; I885-L888 PolarHBondContact O-N 3.4Å; L888-R890 VanDerWaalsContact C-N 3.33Å; L888-R892 VanDerWaalsContact O-CB 3.32Å; L888-R892 WeakPolarHBondContact O-CB 3.4Å; L888-R892 PolarHBondContact O-N 2.98Å; L888-L916 HydrophobicContact CB-CD1 3.94Å; L888-L916 HydrophobicContact CD1-CD1 4.47Å; L888-L916 HydrophobicContact CD2-CD1 3.59Å; L888-L916 HydrophobicContact CG-CD1 4.2Å; L888-I919 HydrophobicContact CD1-CG2 3.63Å; L888-I920 HydrophobicContact CB-CD1 3.92Å; L888-I920 HydrophobicContact CB-CG1 3.72Å; L888-I920 HydrophobicContact CD1-CG1 4.16Å; L888-L923 HydrophobicContact CD1-CD1 3.65Å
889	E	85.6	Confident	80.2	Confident	45 Å²	45	44.8 Å²	44.8	21%	0.21	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-41.8	173.7	-74.1	177.6	169.2	0	0	111.5	I885 L887 R892 D893 I920 R924	I885-E889 VanDerWaalsContact CG2-CD 3.46Å; I885-E889 HydrophobicContact CG2-CG 4.04Å; I885-E889 VanDerWaalsContact CG2-OE1 3.25Å; I885-E889 WeakPolarHBondContact CG2-OE1 3.17Å; I885-E889 WeakPolarHBondContact O-CB 3.38Å; I885-E889 VanDerWaalsContact O-CG 3.31Å; I885-E889 WeakPolarHBondContact O-CG 3.2Å; I885-E889 PolarHBondContact O-N 3.29Å; L887-E889 PolarHBondContact O-N 2.93Å; E889-R892 WeakPolarHBondContact O-CB 3.42Å; E889-R892 PolarHBondContact O-N 3.27Å; E889-D893 WeakPolarHBondContact O-CB 3.42Å; E889-D893 PolarHBondContact O-N 3.01Å; E889-I920 HydrophobicContact CG-CD1 4.23Å; E889-I920 HydrophobicContact CG-CG2 4.38Å; E889-R924 IonicContact OE1-CZ 3.17Å; E889-R924 IonicContact OE1-NE 2.75Å; E889-R924 PolarHBondContact OE1-NE 3.05Å; E889-R924 IonicContact OE1-NH2 2.8Å; E889-R924 PolarHBondContact OE1-NH2 3.46Å
890	R	81.9	Confident	78.8	Confident	60 Å²	60	46.9 Å²	46.9	23%	0.226	24%	0.238	C	C	.	.	H	α-helix	trans	-69.7	-37.5	-179.5	-158.9	161.4	-172.9	121.4	-3.8	112.6	L797 G799 V802 K886 L887 L888 D893 S894	L797-R890 WeakPolarHBondContact O-CD 3.46Å; G799-R890 PolarHBondContact O-NH2 3.35Å; V802-R890 PolarHBondContact O-NH2 3.28Å; K886-R890 WeakPolarHBondContact O-CB 3.22Å; K886-R890 PolarHBondContact O-N 2.96Å; K886-R890 VanDerWaalsContact O-N 3.16Å; L887-R890 PolarHBondContact O-N 3.49Å; L888-R890 VanDerWaalsContact C-N 3.33Å; R890-D893 PolarHBondContact O-N 2.69Å; R890-S894 WeakPolarHBondContact O-CB 3.49Å; R890-S894 PolarHBondContact O-N 3.07Å; R890-S894 PolarHBondContact O-OG 3.13Å
891	L	81.2	Confident	77.4	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-48.8	170.9	-76.1	165.7	0	0	0	111.5	L805 L810 Y851 L887 D893 S894 D895	L805-L891 HydrophobicContact CB-CD2 4.23Å; L805-L891 HydrophobicContact CD2-CD2 3.85Å; L805-L891 HydrophobicContact CD2-CG 3.96Å; L805-L891 HydrophobicContact CG-CD2 3.91Å; L810-L891 HydrophobicContact CD1-CD1 3.82Å; L810-L891 HydrophobicContact CD1-CD2 3.54Å; L810-L891 HydrophobicContact CD1-CG 4.13Å; Y851-L891 HydrophobicContact CD2-CD1 3.83Å; Y851-L891 HydrophobicContact CE1-CD1 4.49Å; Y851-L891 HydrophobicContact CE2-CD1 3.24Å; L887-L891 HydrophobicContact CD1-CD1 4.44Å; L887-L891 HydrophobicContact CG-CD1 4.22Å; L887-L891 PolarHBondContact O-N 2.9Å; L891-D893 VanDerWaalsContact C-N 3.29Å; L891-D893 PolarHBondContact O-N 3.05Å; L891-S894 WeakPolarHBondContact O-CB 3.38Å; L891-S894 PolarHBondContact O-N 3.35Å; L891-S894 VanDerWaalsContact O-N 3.13Å; L891-D895 PolarHBondContact O-N 2.99Å
892	R	82.1	Confident	76	Confident	42 Å²	42	58.6 Å²	58.6	16%	0.158	29%	0.288	C	S	.	.	H	α-helix	trans	-54.7	-46.4	175.8	-177.7	-163.6	66.9	-152.7	-10.8	111.8	L888 E889 S894 D895 K896 L916	L888-R892 VanDerWaalsContact O-CB 3.32Å; L888-R892 WeakPolarHBondContact O-CB 3.4Å; L888-R892 PolarHBondContact O-N 2.98Å; E889-R892 WeakPolarHBondContact O-CB 3.42Å; E889-R892 PolarHBondContact O-N 3.27Å; R892-S894 VanDerWaalsContact C-N 3.3Å; R892-D895 PolarHBondContact O-N 3.31Å; R892-K896 HydrophobicContact CG-CD 4.41Å; R892-K896 VanDerWaalsContact O-CG 3.28Å; R892-K896 WeakPolarHBondContact O-CG 3.32Å; R892-K896 PolarHBondContact O-N 2.88Å; R892-L916 HydrophobicContact CB-CD2 3.72Å; R892-L916 HydrophobicContact CG-CD2 4.21Å
893	D	80.1	Confident	74.6	Confident	65 Å²	65	61.3 Å²	61.3	35%	0.348	29%	0.294	S	S	.	.	H	α-helix	trans	-72.4	-27.6	-176.4	-63.9	-14.2	0	0	0	111.6	E889 R890 L891 K896 K897	E889-D893 WeakPolarHBondContact O-CB 3.42Å; E889-D893 PolarHBondContact O-N 3.01Å; R890-D893 PolarHBondContact O-N 2.69Å; L891-D893 VanDerWaalsContact C-N 3.29Å; L891-D893 PolarHBondContact O-N 3.05Å; D893-K896 IonicContact OD1-NZ 3.34Å; D893-K897 WeakPolarHBondContact O-CG 3.45Å; D893-K897 PolarHBondContact O-N 3.13Å
894	S	75.4	Confident	73.2	Confident	6 Å²	6	61.7 Å²	61.7	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-72.2	-45.9	171.7	-55.7	0	0	0	0	111.6	S804 L805 R890 L891 R892 K896 K897 R898	S804-S894 WeakPolarHBondContact CA-OG 3.41Å; L805-S894 PolarHBondContact N-OG 3.18Å; L805-S894 WeakPolarHBondContact O-CB 3.47Å; R890-S894 WeakPolarHBondContact O-CB 3.49Å; R890-S894 PolarHBondContact O-N 3.07Å; R890-S894 PolarHBondContact O-OG 3.13Å; L891-S894 WeakPolarHBondContact O-CB 3.38Å; L891-S894 PolarHBondContact O-N 3.35Å; L891-S894 VanDerWaalsContact O-N 3.13Å; R892-S894 VanDerWaalsContact C-N 3.3Å; S894-K896 VanDerWaalsContact C-N 3.29Å; S894-K896 PolarHBondContact O-N 2.84Å; S894-K897 PolarHBondContact O-N 2.85Å; S894-K897 VanDerWaalsContact O-N 3.07Å; S894-R898 PolarHBondContact O-N 3.46Å
895	D	72.6	Confident	71.6	Confident	50 Å²	50	66.7 Å²	66.7	27%	0.267	32%	0.324	S	S	.	.	H	α-helix	trans	-60.5	-38.3	175.7	-76.3	-25.9	0	0	0	111.9	L891 R892 K897 R898 T899	L891-D895 PolarHBondContact O-N 2.99Å; R892-D895 PolarHBondContact O-N 3.31Å; D895-K897 VanDerWaalsContact C-N 3.3Å; D895-K897 PolarHBondContact O-N 2.95Å; D895-R898 PolarHBondContact O-N 3.37Å; D895-T899 WeakPolarHBondContact O-CB 3.36Å; D895-T899 PolarHBondContact O-N 2.64Å; D895-T899 PolarHBondContact O-OG1 3.47Å
896	K	70.7	Confident	70.5	Confident	111 Å²	111	74.6 Å²	74.6	48%	0.483	35%	0.353	S	S	.	.	H	α-helix	trans	-61.7	-35	174.7	-78.3	173	180	176.1	0	113	R892 D893 S894	R892-K896 HydrophobicContact CG-CD 4.41Å; R892-K896 VanDerWaalsContact O-CG 3.28Å; R892-K896 WeakPolarHBondContact O-CG 3.32Å; R892-K896 PolarHBondContact O-N 2.88Å; D893-K896 IonicContact OD1-NZ 3.34Å; S894-K896 VanDerWaalsContact C-N 3.29Å; S894-K896 PolarHBondContact O-N 2.84Å
897	K	66.6	Low	69.6	Low	154 Å²	154	79.5 Å²	79.5	67%	0.67	38%	0.375	S	S	*	.	H	α-helix	trans	-75.5	-36.1	176.8	-69.1	174.9	-172.7	177.8	0	111.9	R803 D893 S894 D895	R803-K897 PolarHBondContact O-NZ 2.78Å; D893-K897 WeakPolarHBondContact O-CG 3.45Å; D893-K897 PolarHBondContact O-N 3.13Å; S894-K897 PolarHBondContact O-N 2.85Å; S894-K897 VanDerWaalsContact O-N 3.07Å; D895-K897 VanDerWaalsContact C-N 3.3Å; D895-K897 PolarHBondContact O-N 2.95Å
898	R	61.5	Low	68.7	Low	111 Å²	111	87.7 Å²	87.7	42%	0.419	41%	0.413	S	S	.	.	H	α-helix	trans	-81.1	-38.4	-176	-164.2	173.9	-177.2	-155.6	-3.1	113.2	D716 D719 S894 D895 G900	D716-R898 IonicContact OD1-CZ 3.13Å; D716-R898 IonicContact OD1-NE 3.96Å; D719-R898 IonicContact OD2-CZ 2.65Å; D719-R898 IonicContact OD2-NH1 3.7Å; D719-R898 IonicContact OD2-NH2 3.18Å; D719-R898 PolarHBondContact OD2-NH2 2.56Å; S894-R898 PolarHBondContact O-N 3.46Å; D895-R898 PolarHBondContact O-N 3.37Å; R898-G900 PolarHBondContact O-N 2.87Å; R898-G900 VanDerWaalsContact O-N 3.12Å
899	T	61.1	Low	67.8	Low	30 Å²	30	89.8 Å²	89.8	18%	0.184	42%	0.423	C	S	.	.	S	Bend	trans	-77.5	99	179.8	46.9	0	0	0	0	111.2	D895 K913	D895-T899 WeakPolarHBondContact O-CB 3.36Å; D895-T899 PolarHBondContact O-N 2.64Å; D895-T899 PolarHBondContact O-OG1 3.47Å; T899-K913 PolarHBondContact OG1-NZ 3.24Å
900	G	57.4	Low	67.1	Low	45 Å²	45	93.9 Å²	93.9	46%	0.464	44%	0.436	S	S	.	.			trans	-54.8	150.7	167.4	0	0	0	0	0	111.7	R898 L902 Q903 A904	R898-G900 PolarHBondContact O-N 2.87Å; R898-G900 VanDerWaalsContact O-N 3.12Å; G900-L902 PolarHBondContact O-N 3.37Å; G900-Q903 PolarHBondContact O-N 3.34Å; G900-A904 PolarHBondContact O-N 2.95Å
901	F	56.2	Low	66.7	Low	173 Å²	173	93 Å²	93	76%	0.759	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	-35.8	-170.6	-172.8	-97.6	0	0	0	114.4	M905	F901-M905 HydrophobicContact CZ-CE 4.4Å
902	L	54.8	Low	66.4	Low	155 Å²	155	99 Å²	99	81%	0.812	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-37.4	179.3	-75	167.1	0	0	0	114	G900 M905	G900-L902 PolarHBondContact O-N 3.37Å; L902-M905 PolarHBondContact O-N 2.92Å
903	Q	59	Low	66.1	Low	115 Å²	115	99.1 Å²	99.1	54%	0.537	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-75.2	-33.2	-177.8	-119.3	165.4	0.4	0	0	111.8	G900 M905 R906	G900-Q903 PolarHBondContact O-N 3.34Å; Q903-M905 PolarHBondContact O-N 3.26Å; Q903-R906 PolarHBondContact O-N 3.17Å
904	A	56.8	Low	66.1	Low	30 Å²	30	102.7 Å²	102.7	25%	0.248	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-62.1	-14.2	176.6	0	0	0	0	0	114.1	G900	G900-A904 PolarHBondContact O-N 2.95Å
905	M	53	Low	66.4	Low	105 Å²	105	107 Å²	107	52%	0.517	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-82.2	-12.9	178.5	-76.6	-106.4	167	0	0	114.1	F901 L902 Q903 R910	F901-M905 HydrophobicContact CZ-CE 4.4Å; L902-M905 PolarHBondContact O-N 2.92Å; Q903-M905 PolarHBondContact O-N 3.26Å; M905-R910 PolarHBondContact SD-NH2 3.4Å
906	R	64.7	Low	66.9	Low	176 Å²	176	105.9 Å²	105.9	66%	0.664	49%	0.494	S	S	*	.	S	Bend	trans	-65.2	137	179.2	-77.1	-174.9	164.2	163.3	-3	111.4	Q903 E908 E909 R910	Q903-R906 PolarHBondContact O-N 3.17Å; R906-E908 VanDerWaalsContact C-N 3.32Å; R906-E908 PolarHBondContact O-N 3.38Å; R906-E909 HydrophobicContact CB-CB 4.42Å; R906-E909 PolarHBondContact O-N 3.03Å; R906-R910 PolarHBondContact O-N 3.23Å
907	K	66.9	Low	67.5	Low	189 Å²	189	105.5 Å²	105.5	82%	0.822	49%	0.494	S	S	*	.	H	α-helix	trans	-60.3	-38.2	-173.9	-171.6	178.9	176.9	-177	0	112.9	G911	K907-G911 PolarHBondContact O-N 2.87Å
908	E	69.2	Low	68.4	Low	172 Å²	172	100.4 Å²	100.4	80%	0.804	47%	0.474	S	S	*	.	H	α-helix	trans	-64.1	-45.6	176.4	-73.2	174.7	168.1	0	0	111.8	R906 R910 G911 R912	R906-E908 VanDerWaalsContact C-N 3.32Å; R906-E908 PolarHBondContact O-N 3.38Å; E908-R910 VanDerWaalsContact C-N 3.35Å; E908-R910 PolarHBondContact O-N 3.43Å; E908-G911 WeakPolarHBondContact O-CA 3.31Å; E908-G911 PolarHBondContact O-N 3.08Å; E908-R912 PolarHBondContact O-N 3.32Å
909	E	66.7	Low	69.6	Low	47 Å²	47	95.5 Å²	95.5	22%	0.22	46%	0.456	C	S	.	.	H	α-helix	trans	-64.8	-40	179.8	-169.3	54.1	-144.7	0	0	111.8	R906 G911 R912 K913	R906-E909 HydrophobicContact CB-CB 4.42Å; R906-E909 PolarHBondContact O-N 3.03Å; E909-G911 VanDerWaalsContact C-N 3.3Å; E909-G911 PolarHBondContact O-N 3.12Å; E909-R912 PolarHBondContact O-N 3.42Å; E909-K913 HydrophobicContact CG-CD 4.49Å; E909-K913 WeakPolarHBondContact O-CB 3.28Å; E909-K913 WeakPolarHBondContact O-CG 3.31Å; E909-K913 PolarHBondContact O-N 3.06Å; E909-K913 VanDerWaalsContact OE1-CE 3.29Å; E909-K913 WeakPolarHBondContact OE1-CE 3.49Å
910	R	70.7	Confident	70.7	Confident	131 Å²	131	94.3 Å²	94.3	49%	0.494	45%	0.449	S	S	.	.	H	α-helix	trans	-60.9	-39.1	171.1	-72.3	-179.9	175.3	176.6	-1.4	112.3	M905 R906 E908 K914	M905-R910 PolarHBondContact SD-NH2 3.4Å; R906-R910 PolarHBondContact O-N 3.23Å; E908-R910 VanDerWaalsContact C-N 3.35Å; E908-R910 PolarHBondContact O-N 3.43Å; R910-K914 WeakPolarHBondContact O-CB 3.41Å; R910-K914 PolarHBondContact O-N 3.38Å
911	G	74.1	Confident	72.1	Confident	42 Å²	42	98.4 Å²	98.4	43%	0.433	45%	0.45	S	S	.	.	H	α-helix	trans	-62.9	-47.2	175.5	0	0	0	0	0	112.3	K907 E908 E909 K914 K915	K907-G911 PolarHBondContact O-N 2.87Å; E908-G911 WeakPolarHBondContact O-CA 3.31Å; E908-G911 PolarHBondContact O-N 3.08Å; E909-G911 VanDerWaalsContact C-N 3.3Å; E909-G911 PolarHBondContact O-N 3.12Å; G911-K914 PolarHBondContact O-N 3.33Å; G911-K915 PolarHBondContact O-N 3Å
912	R	75.4	Confident	73.4	Confident	129 Å²	129	92.7 Å²	92.7	49%	0.487	43%	0.426	S	S	.	.	H	α-helix	trans	-62.9	-45.5	178.2	-164.1	178.3	175.4	102.4	-11.5	111.4	E807 E908 E909 K914 K915 L916	E807-R912 VanDerWaalsContact CD-NH2 3.3Å; E807-R912 IonicContact OE1-NH2 3.5Å; E807-R912 PolarHBondContact OE1-NH2 2.62Å; E807-R912 VanDerWaalsContact OE1-NH2 3.13Å; E807-R912 IonicContact OE2-CZ 2.56Å; E807-R912 IonicContact OE2-NH2 3.57Å; E807-R912 PolarHBondContact OE2-NH2 3.33Å; E908-R912 PolarHBondContact O-N 3.32Å; E909-R912 PolarHBondContact O-N 3.42Å; R912-K914 PolarHBondContact O-N 3.42Å; R912-K915 PolarHBondContact O-N 2.94Å; R912-L916 WeakPolarHBondContact O-CB 3.42Å; R912-L916 PolarHBondContact O-N 3.01Å
913	K	75.4	Confident	74.8	Confident	46 Å²	46	85.3 Å²	85.3	20%	0.2	39%	0.387	C	S	.	.	H	α-helix	trans	-62	-42.3	175.4	-73.4	-179.9	179.5	176.8	0	112.7	T899 E909 L916 E917	T899-K913 PolarHBondContact OG1-NZ 3.24Å; E909-K913 HydrophobicContact CG-CD 4.49Å; E909-K913 WeakPolarHBondContact O-CB 3.28Å; E909-K913 WeakPolarHBondContact O-CG 3.31Å; E909-K913 PolarHBondContact O-N 3.06Å; E909-K913 VanDerWaalsContact OE1-CE 3.29Å; E909-K913 WeakPolarHBondContact OE1-CE 3.49Å; K913-L916 WeakPolarHBondContact O-CB 3.29Å; K913-L916 PolarHBondContact O-N 3.36Å; K913-E917 WeakPolarHBondContact O-CG 3.4Å; K913-E917 PolarHBondContact O-N 3.5Å
914	K	80.3	Confident	76	Confident	140 Å²	140	85.7 Å²	85.7	61%	0.609	38%	0.384	S	S	*	.	H	α-helix	trans	-64.6	-44.4	177.5	-171	179	179.9	-177.3	0	112	R910 G911 R912 L916 E917 D918	R910-K914 WeakPolarHBondContact O-CB 3.41Å; R910-K914 PolarHBondContact O-N 3.38Å; G911-K914 PolarHBondContact O-N 3.33Å; R912-K914 PolarHBondContact O-N 3.42Å; K914-L916 VanDerWaalsContact C-N 3.32Å; K914-L916 PolarHBondContact O-N 3.5Å; K914-E917 PolarHBondContact O-N 3.26Å; K914-D918 PolarHBondContact O-N 2.97Å
915	K	80.8	Confident	77.2	Confident	95 Å²	95	89.2 Å²	89.2	41%	0.413	40%	0.395	S	S	.	.	H	α-helix	trans	-59.5	-44.3	175.4	-175.1	-179.4	174.7	-173.6	0	111.1	D854 G911 R912 E917 D918 I919	D854-K915 IonicContact OD1-NZ 3.24Å; D854-K915 IonicContact OD2-NZ 2.64Å; D854-K915 PolarHBondContact OD2-NZ 3.35Å; G911-K915 PolarHBondContact O-N 3Å; R912-K915 PolarHBondContact O-N 2.94Å; K915-E917 PolarHBondContact O-N 2.98Å; K915-D918 PolarHBondContact O-N 3.45Å; K915-I919 HydrophobicContact CG-CD1 4.01Å; K915-I919 VanDerWaalsContact O-CG1 3.28Å; K915-I919 WeakPolarHBondContact O-CG1 3.33Å; K915-I919 PolarHBondContact O-N 3.35Å
916	L	83.2	Confident	78.3	Confident	27 Å²	27	85.1 Å²	85.1	14%	0.141	38%	0.375	C	S	.	.	H	α-helix	trans	-60.3	-44	176.4	-176.6	62.9	0	0	0	112.1	L888 R892 R912 K913 K914 I919 I920	L888-L916 HydrophobicContact CB-CD1 3.94Å; L888-L916 HydrophobicContact CD1-CD1 4.47Å; L888-L916 HydrophobicContact CD2-CD1 3.59Å; L888-L916 HydrophobicContact CG-CD1 4.2Å; R892-L916 HydrophobicContact CB-CD2 3.72Å; R892-L916 HydrophobicContact CG-CD2 4.21Å; R912-L916 WeakPolarHBondContact O-CB 3.42Å; R912-L916 PolarHBondContact O-N 3.01Å; K913-L916 WeakPolarHBondContact O-CB 3.29Å; K913-L916 PolarHBondContact O-N 3.36Å; K914-L916 VanDerWaalsContact C-N 3.32Å; K914-L916 PolarHBondContact O-N 3.5Å; L916-I919 PolarHBondContact O-N 3.39Å; L916-I920 HydrophobicContact CD1-CD1 4.34Å; L916-I920 HydrophobicContact CG-CD1 4.1Å; L916-I920 VanDerWaalsContact O-CG1 3.28Å; L916-I920 WeakPolarHBondContact O-CG1 3.49Å; L916-I920 PolarHBondContact O-N 2.99Å
917	E	83.9	Confident	78.5	Confident	103 Å²	103	80.8 Å²	80.8	48%	0.481	37%	0.365	S	S	.	.	H	α-helix	trans	-66.5	-40.3	176.7	-75.1	-172	170.5	0	0	113.1	K913 K914 K915 I919 I920 R921	K913-E917 WeakPolarHBondContact O-CG 3.4Å; K913-E917 PolarHBondContact O-N 3.5Å; K914-E917 PolarHBondContact O-N 3.26Å; K915-E917 PolarHBondContact O-N 2.98Å; E917-I919 VanDerWaalsContact C-N 3.33Å; E917-I919 PolarHBondContact O-N 2.97Å; E917-I920 PolarHBondContact O-N 2.88Å; E917-R921 WeakPolarHBondContact O-CB 3.28Å; E917-R921 PolarHBondContact O-N 2.96Å
918	D	86.2	Confident	78	Confident	47 Å²	47	77.4 Å²	77.4	25%	0.251	36%	0.36	S	S	.	.	H	α-helix	trans	-63.5	-39.3	176.1	-75.8	-33.2	0	0	0	111.4	K914 K915 R921 Q922	K914-D918 PolarHBondContact O-N 2.97Å; K915-D918 PolarHBondContact O-N 3.45Å; D918-R921 PolarHBondContact O-N 3.42Å; D918-R921 IonicContact OD1-CZ 2.73Å; D918-R921 IonicContact OD1-NH1 3.49Å; D918-R921 PolarHBondContact OD1-NH1 2.9Å; D918-R921 IonicContact OD1-NH2 3.08Å; D918-R921 PolarHBondContact OD1-NH2 2.93Å; D918-Q922 WeakPolarHBondContact O-CG 3.41Å; D918-Q922 PolarHBondContact O-N 3.06Å; D918-Q922 VanDerWaalsContact O-N 3.08Å
919	I	86.2	Confident	77.3	Confident	9 Å²	9	72.7 Å²	72.7	5%	0.046	34%	0.343	C	S	.	.	H	α-helix	trans	-65.9	-48	174.6	-67.5	164.4	0	0	0	110.6	W856 I860 L888 K915 L916 E917 R921 Q922 L923	W856-I919 HydrophobicContact CB-CD1 3.96Å; W856-I919 HydrophobicContact CB-CG1 4.24Å; W856-I919 HydrophobicContact CB-CG2 3.97Å; W856-I919 HydrophobicContact CD2-CG2 4.05Å; W856-I919 HydrophobicContact CE3-CG2 4.17Å; W856-I919 HydrophobicContact CG-CD1 3.93Å; W856-I919 HydrophobicContact CG-CG2 3.95Å; I860-I919 HydrophobicContact CD1-CG2 4.35Å; L888-I919 HydrophobicContact CD1-CG2 3.63Å; K915-I919 HydrophobicContact CG-CD1 4.01Å; K915-I919 VanDerWaalsContact O-CG1 3.28Å; K915-I919 WeakPolarHBondContact O-CG1 3.33Å; K915-I919 PolarHBondContact O-N 3.35Å; L916-I919 PolarHBondContact O-N 3.39Å; E917-I919 VanDerWaalsContact C-N 3.33Å; E917-I919 PolarHBondContact O-N 2.97Å; I919-R921 VanDerWaalsContact C-N 3.27Å; I919-R921 PolarHBondContact O-N 2.92Å; I919-Q922 PolarHBondContact O-N 3.49Å; I919-L923 HydrophobicContact CG2-CD1 3.82Å; I919-L923 HydrophobicContact CG2-CG 4.3Å; I919-L923 WeakPolarHBondContact O-CB 3.28Å; I919-L923 WeakPolarHBondContact O-CG 3.36Å; I919-L923 PolarHBondContact O-N 3.47Å
920	I	84.8	Confident	76	Confident	4 Å²	4	75 Å²	75	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-59.1	-40.3	177.5	-69.5	167.6	0	0	0	110.7	L888 E889 L916 E917 L923 R924	L888-I920 HydrophobicContact CB-CD1 3.92Å; L888-I920 HydrophobicContact CB-CG1 3.72Å; L888-I920 HydrophobicContact CD1-CG1 4.16Å; E889-I920 HydrophobicContact CG-CD1 4.23Å; E889-I920 HydrophobicContact CG-CG2 4.38Å; L916-I920 HydrophobicContact CD1-CD1 4.34Å; L916-I920 HydrophobicContact CG-CD1 4.1Å; L916-I920 VanDerWaalsContact O-CG1 3.28Å; L916-I920 WeakPolarHBondContact O-CG1 3.49Å; L916-I920 PolarHBondContact O-N 2.99Å; E917-I920 PolarHBondContact O-N 2.88Å; I920-L923 PolarHBondContact O-N 3.19Å; I920-R924 HydrophobicContact CG2-CG 4.44Å; I920-R924 WeakPolarHBondContact O-CB 3.41Å; I920-R924 VanDerWaalsContact O-CG 3.31Å; I920-R924 WeakPolarHBondContact O-CG 3.42Å; I920-R924 PolarHBondContact O-N 3.05Å
921	R	85.2	Confident	74.6	Confident	131 Å²	131	80.4 Å²	80.4	49%	0.494	38%	0.382	S	S	.	.	H	α-helix	trans	-61.3	-51	176.5	-174.7	176.3	69.1	-119.4	-6.3	111.5	E917 D918 I919 L923 R924 E925	E917-R921 WeakPolarHBondContact O-CB 3.28Å; E917-R921 PolarHBondContact O-N 2.96Å; D918-R921 PolarHBondContact O-N 3.42Å; D918-R921 IonicContact OD1-CZ 2.73Å; D918-R921 IonicContact OD1-NH1 3.49Å; D918-R921 PolarHBondContact OD1-NH1 2.9Å; D918-R921 IonicContact OD1-NH2 3.08Å; D918-R921 PolarHBondContact OD1-NH2 2.93Å; I919-R921 VanDerWaalsContact C-N 3.27Å; I919-R921 PolarHBondContact O-N 2.92Å; R921-L923 VanDerWaalsContact C-N 3.3Å; R921-L923 PolarHBondContact O-N 2.93Å; R921-R924 PolarHBondContact O-N 3.45Å; R921-R924 VanDerWaalsContact O-N 3.17Å; R921-E925 PolarHBondContact O-N 3.4Å
922	Q	84.9	Confident	72.8	Confident	54 Å²	54	84.7 Å²	84.7	25%	0.252	40%	0.396	S	S	.	.	H	α-helix	trans	-62.4	-36.6	178.9	-71.1	-179.2	46.8	0	0	112.7	I860 D918 I919 L926	I860-Q922 HydrophobicContact CD1-CB 3.91Å; I860-Q922 HydrophobicContact CG2-CB 4.46Å; D918-Q922 WeakPolarHBondContact O-CG 3.41Å; D918-Q922 PolarHBondContact O-N 3.06Å; D918-Q922 VanDerWaalsContact O-N 3.08Å; I919-Q922 PolarHBondContact O-N 3.49Å; Q922-L926 PolarHBondContact O-N 3.43Å
923	L	83.9	Confident	71	Confident	0 Å²	0	89.6 Å²	89.6	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-69.1	-36.7	175.4	-71.2	172.4	0	0	0	112.3	W856 Y859 I860 A884 I885 L888 I919 I920 R921 L926 N927	W856-L923 HydrophobicContact CE3-CD1 4.23Å; W856-L923 HydrophobicContact CZ3-CD1 4.24Å; Y859-L923 HydrophobicContact CD1-CD2 3.94Å; Y859-L923 HydrophobicContact CE1-CD2 3.64Å; I860-L923 HydrophobicContact CD1-CD2 4.28Å; I860-L923 HydrophobicContact CD1-CG 4.27Å; I860-L923 HydrophobicContact CG1-CD2 3.77Å; I860-L923 HydrophobicContact CG1-CG 4.3Å; A884-L923 HydrophobicContact CB-CD1 4.27Å; I885-L923 HydrophobicContact CD1-CB 3.95Å; I885-L923 HydrophobicContact CG1-CB 3.48Å; I885-L923 VanDerWaalsContact CG1-CB 3.48Å; I885-L923 HydrophobicContact CG1-CD1 4.21Å; I885-L923 HydrophobicContact CG1-CG 4.46Å; L888-L923 HydrophobicContact CD1-CD1 3.65Å; I919-L923 HydrophobicContact CG2-CD1 3.82Å; I919-L923 HydrophobicContact CG2-CG 4.3Å; I919-L923 WeakPolarHBondContact O-CB 3.28Å; I919-L923 WeakPolarHBondContact O-CG 3.36Å; I919-L923 PolarHBondContact O-N 3.47Å; I920-L923 PolarHBondContact O-N 3.19Å; R921-L923 VanDerWaalsContact C-N 3.3Å; R921-L923 PolarHBondContact O-N 2.93Å; L923-L926 HydrophobicContact CD2-CD1 4.35Å; L923-L926 WeakPolarHBondContact O-CB 3.48Å; L923-L926 PolarHBondContact O-N 3.34Å; L923-N927 PolarHBondContact O-N 3.21Å
924	R	83.7	Confident	70.7	Confident	123 Å²	123	91.8 Å²	91.8	46%	0.464	44%	0.443	S	S	.	.	H	α-helix	trans	-66.4	-39	175	-75.3	173.2	176.8	-167.6	-1.6	111.8	I885 E889 I920 R921 L926 N927 V928	I885-R924 HydrophobicContact CD1-CG 4.04Å; I885-R924 HydrophobicContact CG2-CG 4.44Å; E889-R924 IonicContact OE1-CZ 3.17Å; E889-R924 IonicContact OE1-NE 2.75Å; E889-R924 PolarHBondContact OE1-NE 3.05Å; E889-R924 IonicContact OE1-NH2 2.8Å; E889-R924 PolarHBondContact OE1-NH2 3.46Å; I920-R924 HydrophobicContact CG2-CG 4.44Å; I920-R924 WeakPolarHBondContact O-CB 3.41Å; I920-R924 VanDerWaalsContact O-CG 3.31Å; I920-R924 WeakPolarHBondContact O-CG 3.42Å; I920-R924 PolarHBondContact O-N 3.05Å; R921-R924 PolarHBondContact O-N 3.45Å; R921-R924 VanDerWaalsContact O-N 3.17Å; R924-L926 VanDerWaalsContact C-N 3.26Å; R924-L926 PolarHBondContact O-N 3.05Å; R924-N927 PolarHBondContact O-N 3.06Å; R924-V928 WeakPolarHBondContact O-CG2 3.33Å; R924-V928 PolarHBondContact O-N 2.8Å
925	E	82.4	Confident	70.2	Confident	104 Å²	104	89.2 Å²	89.2	49%	0.486	43%	0.434	S	S	.	.	H	α-helix	trans	-57	-41.3	172.1	-71	168	-167.2	0	0	111.5	R921 N927 T929	R921-E925 PolarHBondContact O-N 3.4Å; E925-N927 VanDerWaalsContact C-N 3.34Å; E925-N927 PolarHBondContact O-N 3.36Å; E925-T929 PolarHBondContact O-OG1 3.35Å
926	L	74.7	Confident	69.7	Low	18 Å²	18	88.9 Å²	88.9	9%	0.094	44%	0.435	C	S	.	.	H	α-helix	trans	-66.3	-30.1	174	-80.2	169.2	0	0	0	114	I860 R863 K864 I867 Q922 L923 R924 T929	I860-L926 HydrophobicContact CB-CD1 4.29Å; I860-L926 HydrophobicContact CG1-CD1 4.2Å; I860-L926 HydrophobicContact CG2-CD1 3.94Å; R863-L926 HydrophobicContact CB-CD1 3.96Å; R863-L926 HydrophobicContact CB-CD2 4.11Å; K864-L926 HydrophobicContact CB-CD2 4.5Å; K864-L926 HydrophobicContact CG-CD2 3.63Å; K864-L926 HydrophobicContact CG-CG 4.35Å; I867-L926 HydrophobicContact CD1-CD2 3.69Å; Q922-L926 PolarHBondContact O-N 3.43Å; L923-L926 HydrophobicContact CD2-CD1 4.35Å; L923-L926 WeakPolarHBondContact O-CB 3.48Å; L923-L926 PolarHBondContact O-N 3.34Å; R924-L926 VanDerWaalsContact C-N 3.26Å; R924-L926 PolarHBondContact O-N 3.05Å; L926-T929 PolarHBondContact O-OG1 2.96Å
927	N	69.5	Low	68.9	Low	86 Å²	86	92.5 Å²	92.5	46%	0.46	45%	0.453	S	S	.	.	H	α-helix	trans	-86.9	-25	-177	-161	46.5	0	0	0	113.1	I885 L923 R924 E925	I885-N927 HydrophobicContact CD1-CB 3.96Å; L923-N927 PolarHBondContact O-N 3.21Å; R924-N927 PolarHBondContact O-N 3.06Å; E925-N927 VanDerWaalsContact C-N 3.34Å; E925-N927 PolarHBondContact O-N 3.36Å
928	V	57.7	Low	67.9	Low	117 Å²	117	91.9 Å²	91.9	71%	0.709	45%	0.451	S	S	*	.	H	α-helix	trans	-79.4	-21.4	178.7	173.3	0	0	0	0	112.1	R924 P930	R924-V928 WeakPolarHBondContact O-CG2 3.33Å; R924-V928 PolarHBondContact O-N 2.8Å; V928-P930 VanDerWaalsContact O-CD 3.22Å; V928-P930 WeakPolarHBondContact O-CD 3.45Å
929	T	52.6	Low	66.7	Low	74 Å²	74	94.9 Å²	94.9	45%	0.454	46%	0.464	S	S	.	.	S	Bend	trans	-56.6	111.7	174.3	9.3	0	0	0	0	109.7	E925 L926 R931	E925-T929 PolarHBondContact O-OG1 3.35Å; L926-T929 PolarHBondContact O-OG1 2.96Å; T929-R931 PolarHBondContact O-N 2.75Å
930	P	40.2	Very low	65.3	Low	94 Å²	94	101 Å²	101	61%	0.61	49%	0.494	S	S	*	.			trans	-60.7	135.1	-173.2	21.5	-28.9	0	0	0	109	V928 N932	V928-P930 VanDerWaalsContact O-CD 3.22Å; V928-P930 WeakPolarHBondContact O-CD 3.45Å; P930-N932 PolarHBondContact O-N 3.06Å
931	R	41.4	Very low	63.8	Low	245 Å²	245	108.5 Å²	108.5	93%	0.925	53%	0.53	S	S	*	.			trans	-60.6	85.3	161.1	-80.9	-176.8	173.3	179	-3.6	107.1	T929 N933	T929-R931 PolarHBondContact O-N 2.75Å; R931-N933 PolarHBondContact O-N 3.49Å
932	N	37.4	Very low	62	Low	133 Å²	133	106.6 Å²	106.6	71%	0.711	53%	0.533	S	S	*	.			trans	-74.1	109.7	163.4	-83.8	-9.9	0	0	0	106.6	P930	P930-N932 PolarHBondContact O-N 3.06Å
933	N	35.8	Very low	59.9	Low	231 Å²	231	111.4 Å²	111.4	100%	1.235	56%	0.559	S	S	*	*			trans	86.8	0	172.4	-54.9	-17.2	0	0	0	116.2	R931	R931-N933 PolarHBondContact O-N 3.49Å

Retrieved 933 of 933 residues in 1011.6 ms (Link to these results)

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