A0A077Z461_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z461, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 935 aa.

						>A0A077Z461_TRITR|A0A077Z461
MPTAPKPGSLKDPEIAALFSAEDPETRFSDLREIGHGSFGAVYFAFDKVSRECVAIKKMSYSGKQSAEKWSDIVKEVRFLKQLRHKNIVEFKSCFNKDHTCWLAMEYCVGSASDILEVHRKPLREQEIAAMCHEVLQGLQYIHSLGRIHRDIKAGNILLTDLGSVKLADFGSASLICPAQSFVGTPYWMAPEVILAMDEGKYDQKADVWSLGITCIELAEKKPPLFNMNAMSALYHIAQNDSPSLSSNMWSDDFHSFVAHCLLKDPVCRFSTEECLKHPFIKRPRTPSIVYDLIQRTKTLVRDLDHYQYRKMRKLMYLDEQQSGSSAEVSSLDGEDVESVDDDLCGETASSRSDSLTSMHSLRSGGSVPPALRNSINSVSSLKKAQMAGMLGTVGDSYGSDSPNQLLSACNRDQLAEVSVSQTDDVGKQEILANPDQEKERLQRKEDILASRRSRFATIRPTGVIAREQTEYAAENNVHEQMSGYKRMRREHQKELRQLEEKSKTEMDNLKLKLDKEYDNLLAQFHKELDKLHQTHRQELDKRVKTNEELERKLRKSILQQQEVEMKALQMQFKKEYKVNKERLKQEMKLDHSPRNVVEGSLRSSKQNHLHIQAEAENRMLSDHKFYLDFEELASRGRQLHNTHSLLRRQHEVTQDLEIKQLQSFHNLRVQHLQRQHSSELQNQQAYMKRVQDELRKKHAMQVKQQPKELKQKELQIRRQFRQAVKTQTRQYKMLQLQLTQELPREGQRDVIARLKEEQKRKLALLAEQYEESIGEVLENQTVKLETWQEEEAKQTKEKLNQELELLMAYQSKQRMQMDQQHDREKSRLQEKVSLRCAVLEQKMEEELVQFDRERLERTKQLEVRQTRELDVFDEESERLGFAQIALACQPSATQSSMDGTNHDTSGAEEETNNLPSSSSSTASNLKTSNAPCSP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	63.1	Low	223 Å²	223	108.5 Å²	108.5	100%	1.099	61%	0.61	S	S	*	*				0	136	0	-62	-49.9	-163.6	0	0	109.1	T3	M1-T3 PolarHBondContact O-N 3.47Å
2	P	43.5	Very low	64.5	Low	129 Å²	129	105.2 Å²	105.2	84%	0.838	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-61.4	130.3	159.9	-14.3	29.6	0	0	0	108.5	A4	P2-A4 PolarHBondContact O-N 2.86Å
3	T	50	Low	66	Low	135 Å²	135	105.1 Å²	105.1	83%	0.828	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-71.8	124.6	173.2	50.5	0	0	0	0	109.1	M1	M1-T3 PolarHBondContact O-N 3.47Å
4	A	56.2	Low	67.3	Low	88 Å²	88	106.5 Å²	106.5	73%	0.727	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-53.3	140.3	176	0	0	0	0	0	110.9	P2 K6	P2-A4 PolarHBondContact O-N 2.86Å; A4-K6 PolarHBondContact O-N 3.05Å
5	P	61.4	Low	68.4	Low	107 Å²	107	101.1 Å²	101.1	70%	0.695	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-60.6	134.7	-176.8	24.6	-33.6	0	0	0	110.7
6	K	72.2	Confident	69.5	Low	172 Å²	172	96.9 Å²	96.9	75%	0.748	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-60.9	143	178.5	-71.2	-172.6	176.5	-175.8	0	110.2	A4 G8 S9	A4-K6 PolarHBondContact O-N 3.05Å; K6-G8 PolarHBondContact O-N 3.47Å; K6-S9 WeakPolarHBondContact O-CB 3.37Å; K6-S9 PolarHBondContact O-N 3.08Å
7	P	73.3	Confident	70.7	Confident	38 Å²	38	95.1 Å²	95.1	25%	0.247	55%	0.546	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	133.8	175.3	-26.1	36.1	0	0	0	111.4	S9 Y61 A67 W70	P7-S9 VanDerWaalsContact C-N 3.35Å; P7-Y61 HydrophobicContact CB-CD2 4Å; P7-Y61 HydrophobicContact CB-CE2 4.36Å; P7-A67 HydrophobicContact CG-CB 3.89Å; P7-W70 HydrophobicContact CB-CB 4.01Å; P7-W70 HydrophobicContact CB-CG 4.29Å
8	G	73.7	Confident	71.7	Confident	13 Å²	13	90.7 Å²	90.7	13%	0.134	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-0.1	-173.4	0	0	0	0	0	116.1	K6 L10 Y61 W70	K6-G8 PolarHBondContact O-N 3.47Å; G8-L10 PolarHBondContact O-N 3.04Å; G8-Y61 VanDerWaalsContact CA-CE2 3.48Å; G8-Y61 WeakPolarHBondContact CA-OH 3.45Å; G8-W70 VanDerWaalsContact N-CD2 3.35Å
9	S	76.4	Confident	72.7	Confident	29 Å²	29	87.1 Å²	87.1	20%	0.203	50%	0.499	C	S	.	.			trans	-73.8	94.2	-177.9	174.5	0	0	0	0	112.5	K6 P7 K11	K6-S9 WeakPolarHBondContact O-CB 3.37Å; K6-S9 PolarHBondContact O-N 3.08Å; P7-S9 VanDerWaalsContact C-N 3.35Å; S9-K11 PolarHBondContact O-N 2.94Å
10	L	78.5	Confident	73.6	Confident	69 Å²	69	85 Å²	85	36%	0.361	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	35.1	172.8	-53	-175.5	0	0	0	114	G8 I15 A16 F19 W70 N96	G8-L10 PolarHBondContact O-N 3.04Å; L10-I15 HydrophobicContact CD2-CG2 3.98Å; L10-A16 HydrophobicContact CB-CB 4.31Å; L10-F19 HydrophobicContact CD1-CB 4.39Å; L10-F19 HydrophobicContact CD1-CD2 4.47Å; L10-F19 HydrophobicContact CD2-CD2 3.47Å; L10-F19 VanDerWaalsContact CD2-CD2 3.47Å; L10-F19 HydrophobicContact CD2-CE2 3.74Å; L10-F19 HydrophobicContact CD2-CG 4.28Å; L10-W70 HydrophobicContact CD2-CH2 4.1Å; L10-W70 HydrophobicContact CD2-CZ2 4.05Å; L10-N96 HydrophobicContact CD1-CB 4.42Å
11	K	74.2	Confident	74.2	Confident	190 Å²	190	86.2 Å²	86.2	83%	0.826	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-20.7	174.9	-70.1	-169.8	174.1	-166.4	0	113.3	S9	S9-K11 PolarHBondContact O-N 2.94Å
12	D	80.4	Confident	76.8	Confident	69 Å²	69	80 Å²	80	37%	0.369	48%	0.478	S	S	.	.	S	Bend	trans	-79.8	122.1	170	176.7	-22.8	0	0	0	107.9	E14 I15 A16	D12-E14 VanDerWaalsContact C-N 3.31Å; D12-E14 PolarHBondContact O-N 2.97Å; D12-E14 WeakPolarHBondContact OD1-CB 3.47Å; D12-E14 PolarHBondContact OD1-N 3.08Å; D12-I15 HydrophobicContact CB-CB 4.1Å; D12-I15 HydrophobicContact CB-CD1 3.99Å; D12-I15 HydrophobicContact CB-CG1 4.02Å; D12-I15 PolarHBondContact O-N 3.13Å; D12-I15 PolarHBondContact OD1-N 2.85Å; D12-A16 WeakPolarHBondContact O-CB 3.18Å; D12-A16 PolarHBondContact O-N 3.38Å
13	P	84.4	Confident	79	Confident	104 Å²	104	76.6 Å²	76.6	68%	0.675	45%	0.453	S	S	*	.	H	α-helix	trans	-66	-28.7	-176.9	27.5	-34.8	0	0	0	113.4	A17	P13-A17 VanDerWaalsContact O-CB 3.29Å; P13-A17 WeakPolarHBondContact O-CB 3.31Å; P13-A17 PolarHBondContact O-N 3.23Å
14	E	83.1	Confident	81	Confident	125 Å²	125	70.3 Å²	70.3	58%	0.584	41%	0.414	S	S	*	.	H	α-helix	trans	-67.1	-42.6	174	-73.9	-164.6	-166	0	0	111.2	D12 R78	D12-E14 VanDerWaalsContact C-N 3.31Å; D12-E14 PolarHBondContact O-N 2.97Å; D12-E14 WeakPolarHBondContact OD1-CB 3.47Å; D12-E14 PolarHBondContact OD1-N 3.08Å; E14-R78 IonicContact OE2-CZ 3.68Å; E14-R78 IonicContact OE2-NH2 2.74Å; E14-R78 PolarHBondContact OE2-NH2 3.35Å
15	I	84.8	Confident	82.7	Confident	25 Å²	25	71.2 Å²	71.2	13%	0.128	40%	0.403	C	S	.	.	H	α-helix	trans	-70.9	-42.8	179.2	-59.9	180	0	0	0	109.6	L10 D12 A17 L18 F19 W70 V74	L10-I15 HydrophobicContact CD2-CG2 3.98Å; D12-I15 HydrophobicContact CB-CB 4.1Å; D12-I15 HydrophobicContact CB-CD1 3.99Å; D12-I15 HydrophobicContact CB-CG1 4.02Å; D12-I15 PolarHBondContact O-N 3.13Å; D12-I15 PolarHBondContact OD1-N 2.85Å; I15-A17 VanDerWaalsContact C-N 3.3Å; I15-A17 PolarHBondContact O-N 2.9Å; I15-L18 WeakPolarHBondContact O-CB 3.29Å; I15-L18 PolarHBondContact O-N 3.38Å; I15-F19 HydrophobicContact CG2-CE2 3.97Å; I15-F19 WeakPolarHBondContact O-CD2 3.34Å; I15-W70 HydrophobicContact CG2-CZ2 3.87Å; I15-V74 HydrophobicContact CG2-CG2 4.24Å
16	A	86.3	Confident	84.1	Confident	35 Å²	35	70.6 Å²	70.6	29%	0.289	40%	0.398	S	S	.	.	H	α-helix	trans	-56.6	-43.4	175.3	0	0	0	0	0	111.7	L10 D12 L18 F19	L10-A16 HydrophobicContact CB-CB 4.31Å; D12-A16 WeakPolarHBondContact O-CB 3.18Å; D12-A16 PolarHBondContact O-N 3.38Å; A16-L18 PolarHBondContact O-N 2.86Å; A16-F19 PolarHBondContact O-N 3.47Å
17	A	88.8	Confident	85.1	Confident	65 Å²	65	64.4 Å²	64.4	54%	0.537	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-5.4	177.3	0	0	0	0	0	114.9	P13 I15 K81	P13-A17 VanDerWaalsContact O-CB 3.29Å; P13-A17 WeakPolarHBondContact O-CB 3.31Å; P13-A17 PolarHBondContact O-N 3.23Å; I15-A17 VanDerWaalsContact C-N 3.3Å; I15-A17 PolarHBondContact O-N 2.9Å; A17-K81 PolarHBondContact O-NZ 3.29Å
18	L	88.8	Confident	86.2	Confident	16 Å²	16	62.8 Å²	62.8	8%	0.084	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-28	169.9	-61.1	179.2	0	0	0	112.8	I15 A16 V74 V77 R78 K81	I15-L18 WeakPolarHBondContact O-CB 3.29Å; I15-L18 PolarHBondContact O-N 3.38Å; A16-L18 PolarHBondContact O-N 2.86Å; L18-V74 HydrophobicContact CD1-CG1 4.02Å; L18-V77 HydrophobicContact CB-CG1 3.96Å; L18-V77 HydrophobicContact CD1-CG1 4.38Å; L18-R78 HydrophobicContact CD1-CB 4.17Å; L18-R78 HydrophobicContact CD2-CB 4.33Å; L18-K81 HydrophobicContact CD2-CD 4.02Å
19	F	92	Very high	87.1	Confident	23 Å²	23	64 Å²	64	10%	0.101	37%	0.365	C	S	.	.	S	Bend	trans	-111.1	149.5	-171	-55.9	-89.4	0	0	0	112.9	L10 I15 A16 W70 C94 N96	L10-F19 HydrophobicContact CD1-CB 4.39Å; L10-F19 HydrophobicContact CD1-CD2 4.47Å; L10-F19 HydrophobicContact CD2-CD2 3.47Å; L10-F19 VanDerWaalsContact CD2-CD2 3.47Å; L10-F19 HydrophobicContact CD2-CE2 3.74Å; L10-F19 HydrophobicContact CD2-CG 4.28Å; I15-F19 HydrophobicContact CG2-CE2 3.97Å; I15-F19 WeakPolarHBondContact O-CD2 3.34Å; A16-F19 PolarHBondContact O-N 3.47Å; F19-W70 HydrophobicContact CE1-CH2 4.12Å; F19-W70 HydrophobicContact CE1-CZ3 4.48Å; F19-W70 AromaticContact CE2-CH2 3.66Å; F19-W70 HydrophobicContact CE2-CH2 3.66Å; F19-W70 HydrophobicContact CE2-CZ2 4.02Å; F19-W70 AromaticContact CZ-CH2 3.36Å; F19-W70 HydrophobicContact CZ-CH2 3.36Å; F19-W70 HydrophobicContact CZ-CZ2 4.07Å; F19-W70 AromaticContact CZ-CZ3 3.97Å; F19-W70 HydrophobicContact CZ-CZ3 3.97Å; F19-C94 CarbonylContact C-O 3.59Å; F19-C94 VanDerWaalsContact CA-O 3.31Å; F19-C94 WeakPolarHBondContact CA-O 3.3Å; F19-C94 HydrophobicContact CD1-CB 4.28Å; F19-C94 VanDerWaalsContact CD1-SG 3.57Å; F19-C94 VanDerWaalsContact CE1-SG 3.51Å; F19-N96 HydrophobicContact CD1-CB 3.9Å; F19-N96 HydrophobicContact CE1-CB 4.25Å; F19-N96 HydrophobicContact CG-CB 4.33Å
20	S	90.3	Very high	87.8	Confident	45 Å²	45	65.5 Å²	65.5	32%	0.315	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-82.2	154.3	166.5	-175.8	0	0	0	0	110.8	E22 C94	S20-E22 PolarHBondContact OG-N 3.18Å; S20-C94 PolarHBondContact N-O 3.14Å
21	A	85.8	Confident	88.5	Confident	111 Å²	111	65.2 Å²	65.2	92%	0.917	37%	0.369	S	S	*	.	S	Bend	trans	-93.3	-3.8	177.3	0	0	0	0	0	113.8
22	E	88.6	Confident	89.3	Confident	93 Å²	93	58.8 Å²	58.8	44%	0.435	34%	0.34	S	S	.	.	S	Bend	trans	-71.1	150.9	174.7	-62.9	170.3	170.1	0	0	111.7	S20 P24 R27 F95	S20-E22 PolarHBondContact OG-N 3.18Å; E22-P24 WeakPolarHBondContact O-CD 3.17Å; E22-R27 IonicContact OE1-NH1 3.12Å; E22-R27 WeakPolarHBondContact OE2-CD 3.48Å; E22-R27 IonicContact OE2-CZ 3.97Å; E22-R27 IonicContact OE2-NE 2.75Å; E22-R27 IonicContact OE2-NH1 2.68Å; E22-R27 PolarHBondContact OE2-NH1 2.87Å; E22-F95 HydrophobicContact CB-CD1 4.4Å; E22-F95 HydrophobicContact CB-CE1 4.11Å; E22-F95 WeakPolarHBondContact O-CD1 3.47Å
23	D	89.5	Confident	89.9	Confident	57 Å²	57	60 Å²	60	31%	0.305	34%	0.344	S	S	.	.			trans	-78.7	115.4	172.1	-173.5	-22.5	0	0	0	110.5	E25 T26 R27 K97	D23-E25 PolarHBondContact O-N 3.4Å; D23-E25 WeakPolarHBondContact OD1-CB 3.42Å; D23-E25 PolarHBondContact OD1-N 3.2Å; D23-T26 HydrophobicContact CB-CG2 4.03Å; D23-T26 PolarHBondContact O-N 2.93Å; D23-T26 VanDerWaalsContact O-N 3.07Å; D23-T26 PolarHBondContact O-OG1 3.15Å; D23-R27 PolarHBondContact O-N 2.95Å; D23-K97 VanDerWaalsContact CG-NZ 3.27Å; D23-K97 WeakPolarHBondContact OD1-CD 3.42Å; D23-K97 IonicContact OD1-NZ 2.67Å; D23-K97 PolarHBondContact OD1-NZ 3.24Å; D23-K97 IonicContact OD2-NZ 2.75Å; D23-K97 PolarHBondContact OD2-NZ 2.83Å
24	P	92.6	Very high	90.2	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.013	32%	0.318	C	S	.	.	H	α-helix	trans	-62.9	-24.4	-177.6	27.5	-36	0	0	0	113.6	E22 T26 R27 F28 F95 K97 W102	E22-P24 WeakPolarHBondContact O-CD 3.17Å; P24-T26 VanDerWaalsContact C-N 3.34Å; P24-R27 PolarHBondContact O-N 3.14Å; P24-F28 HydrophobicContact CB-CD2 3.96Å; P24-F28 HydrophobicContact CB-CE2 4.06Å; P24-F28 WeakPolarHBondContact O-CD2 3.37Å; P24-F28 PolarHBondContact O-N 3.1Å; P24-F95 HydrophobicContact CB-CB 3.98Å; P24-F95 HydrophobicContact CB-CD1 4.32Å; P24-F95 HydrophobicContact CB-CD2 4.23Å; P24-F95 HydrophobicContact CB-CG 3.93Å; P24-F95 HydrophobicContact CG-CB 3.9Å; P24-F95 HydrophobicContact CG-CG 4.37Å; P24-K97 HydrophobicContact CG-CB 4.26Å; P24-K97 HydrophobicContact CG-CD 4.43Å; P24-W102 HydrophobicContact CB-CB 4.47Å; P24-W102 HydrophobicContact CB-CD2 3.81Å; P24-W102 HydrophobicContact CB-CE3 3.6Å; P24-W102 HydrophobicContact CB-CG 4.23Å; P24-W102 HydrophobicContact CB-CH2 4.48Å; P24-W102 HydrophobicContact CB-CZ3 3.97Å; P24-W102 HydrophobicContact CG-CD2 3.82Å; P24-W102 HydrophobicContact CG-CE3 4.11Å; P24-W102 HydrophobicContact CG-CG 4.06Å; P24-W102 HydrophobicContact CG-CZ2 4.33Å; P24-W102 HydrophobicContact CG-CZ3 4.48Å
25	E	91.6	Very high	90.4	Very high	108 Å²	108	51.9 Å²	51.9	51%	0.505	30%	0.304	S	S	.	.	H	α-helix	trans	-73.9	-27.7	177.2	-70.8	176.8	167	0	0	112.2	D23 K97 W102	D23-E25 PolarHBondContact O-N 3.4Å; D23-E25 WeakPolarHBondContact OD1-CB 3.42Å; D23-E25 PolarHBondContact OD1-N 3.2Å; E25-K97 IonicContact OE2-NZ 2.62Å; E25-K97 PolarHBondContact OE2-NZ 2.93Å; E25-W102 HydrophobicContact CG-CH2 3.49Å; E25-W102 VanDerWaalsContact CG-CH2 3.49Å; E25-W102 HydrophobicContact CG-CZ2 3.7Å
26	T	91.9	Very high	90.4	Very high	94 Å²	94	56.7 Å²	56.7	58%	0.577	33%	0.326	S	S	*	.	H	α-helix	trans	-77.2	-35.9	170.9	68.8	0	0	0	0	111.4	D23 P24 K48	D23-T26 HydrophobicContact CB-CG2 4.03Å; D23-T26 PolarHBondContact O-N 2.93Å; D23-T26 VanDerWaalsContact O-N 3.07Å; D23-T26 PolarHBondContact O-OG1 3.15Å; P24-T26 VanDerWaalsContact C-N 3.34Å; T26-K48 WeakPolarHBondContact O-CD 3.38Å; T26-K48 PolarHBondContact O-NZ 3.48Å
27	R	92.7	Very high	89.8	Confident	42 Å²	42	57.2 Å²	57.2	16%	0.158	34%	0.335	C	S	.	.	H	α-helix	trans	-73	-44.5	-178.2	-174.4	175.1	-179.9	114	8.7	114.3	E22 D23 P24 D47 K48 V49	E22-R27 IonicContact OE1-NH1 3.12Å; E22-R27 WeakPolarHBondContact OE2-CD 3.48Å; E22-R27 IonicContact OE2-CZ 3.97Å; E22-R27 IonicContact OE2-NE 2.75Å; E22-R27 IonicContact OE2-NH1 2.68Å; E22-R27 PolarHBondContact OE2-NH1 2.87Å; D23-R27 PolarHBondContact O-N 2.95Å; P24-R27 PolarHBondContact O-N 3.14Å; R27-D47 IonicContact CZ-OD1 2.63Å; R27-D47 IonicContact CZ-OD2 3.1Å; R27-D47 VanDerWaalsContact CZ-OD2 3.26Å; R27-D47 IonicContact NE-OD1 3.41Å; R27-D47 PolarHBondContact NE-OD1 3.26Å; R27-D47 IonicContact NE-OD2 2.75Å; R27-D47 PolarHBondContact NE-OD2 3.11Å; R27-D47 IonicContact NH2-OD1 3.67Å; R27-D47 IonicContact NH2-OD2 3.63Å; R27-D47 PolarHBondContact NH2-OD2 3.24Å; R27-K48 WeakPolarHBondContact O-CB 3.46Å; R27-K48 WeakPolarHBondContact O-CD 3.46Å; R27-K48 VanDerWaalsContact O-CG 3.26Å; R27-K48 WeakPolarHBondContact O-CG 3.17Å; R27-K48 PolarHBondContact O-N 2.91Å; R27-K48 VanDerWaalsContact O-N 3.09Å; R27-V49 HydrophobicContact CG-CG2 4.16Å
28	F	94.8	Very high	89	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.018	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	160.1	-172.4	-57.8	-66.8	0	0	0	112.9	P24 L31 A45 F46 D47 K48 V54 I56 F95 W102 A104	P24-F28 HydrophobicContact CB-CD2 3.96Å; P24-F28 HydrophobicContact CB-CE2 4.06Å; P24-F28 WeakPolarHBondContact O-CD2 3.37Å; P24-F28 PolarHBondContact O-N 3.1Å; F28-L31 HydrophobicContact CB-CD1 4.09Å; F28-A45 HydrophobicContact CB-CB 4.31Å; F28-F46 WeakPolarHBondContact CA-O 3.47Å; F28-D47 HydrophobicContact CD1-CB 3.94Å; F28-D47 HydrophobicContact CE1-CB 3.77Å; F28-K48 WeakPolarHBondContact O-CE 3.38Å; F28-K48 PolarHBondContact O-NZ 3.07Å; F28-V54 HydrophobicContact CD1-CG2 3.91Å; F28-V54 HydrophobicContact CE1-CG2 3.84Å; F28-I56 HydrophobicContact CB-CD1 3.86Å; F28-I56 HydrophobicContact CD1-CD1 3.85Å; F28-I56 HydrophobicContact CD2-CD1 3.56Å; F28-I56 HydrophobicContact CE1-CD1 4.31Å; F28-I56 HydrophobicContact CE2-CD1 4.05Å; F28-I56 HydrophobicContact CG-CD1 3.46Å; F28-I56 VanDerWaalsContact CG-CD1 3.46Å; F28-I56 HydrophobicContact CZ-CD1 4.41Å; F28-F95 AromaticContact CE2-CD2 3.99Å; F28-F95 HydrophobicContact CE2-CD2 3.99Å; F28-F95 AromaticContact CE2-CE2 3.48Å; F28-F95 HydrophobicContact CE2-CE2 3.48Å; F28-F95 VanDerWaalsContact CE2-CE2 3.48Å; F28-F95 AromaticContact CE2-CZ 3.89Å; F28-F95 HydrophobicContact CE2-CZ 3.89Å; F28-F95 HydrophobicContact CZ-CD2 4.49Å; F28-F95 AromaticContact CZ-CE2 3.59Å; F28-F95 HydrophobicContact CZ-CE2 3.59Å; F28-F95 AromaticContact CZ-CZ 3.88Å; F28-F95 HydrophobicContact CZ-CZ 3.88Å; F28-W102 HydrophobicContact CD2-CE3 4.34Å; F28-W102 HydrophobicContact CD2-CZ3 4.39Å; F28-A104 HydrophobicContact CZ-CB 3.9Å
29	S	93	Very high	88.3	Confident	38 Å²	38	60.9 Å²	60.9	27%	0.266	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	166.3	179.1	29	0	0	0	0	111.1	A45 F46 K48	S29-A45 CarbonylContact O-C 3.53Å; S29-A45 WeakPolarHBondContact O-CA 3.01Å; S29-F46 PolarHBondContact N-O 3.26Å; S29-F46 PolarHBondContact O-N 2.72Å; S29-F46 PolarHBondContact OG-O 3.09Å; S29-K48 WeakPolarHBondContact OG-CE 3.33Å; S29-K48 WeakPolarHBondContact OG-CG 3.34Å
30	D	90.6	Very high	87.9	Confident	60 Å²	60	61.4 Å²	61.4	32%	0.321	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.1	51.9	179.8	-167	23.9	0	0	0	113.3	R32 Q321	D30-R32 VanDerWaalsContact CG-NE 3.28Å; D30-R32 PolarHBondContact O-N 2.66Å; D30-R32 IonicContact OD1-CZ 3.54Å; D30-R32 IonicContact OD1-NE 2.68Å; D30-R32 PolarHBondContact OD1-NE 3.42Å; D30-R32 IonicContact OD1-NH2 2.62Å; D30-R32 PolarHBondContact OD1-NH2 2.97Å; D30-R32 IonicContact OD2-CZ 3.78Å; D30-R32 VanDerWaalsContact OD2-CZ 3.24Å; D30-R32 IonicContact OD2-NE 3.71Å; D30-R32 PolarHBondContact OD2-NE 3.31Å; D30-R32 VanDerWaalsContact OD2-NE 3.12Å; D30-R32 IonicContact OD2-NH2 2.6Å; D30-R32 PolarHBondContact OD2-NH2 2.95Å; D30-Q321 PolarHBondContact OD2-NE2 3.42Å
31	L	93.4	Very high	88	Confident	64 Å²	64	59.9 Å²	59.9	34%	0.335	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	109.6	-179.5	-87	74	0	0	0	111.2	F28 Y43 F44 A45 K58 W102	F28-L31 HydrophobicContact CB-CD1 4.09Å; L31-Y43 HydrophobicContact CB-CD1 4.44Å; L31-F44 VanDerWaalsContact CA-O 3.32Å; L31-F44 WeakPolarHBondContact CA-O 3.39Å; L31-A45 HydrophobicContact CD1-CB 3.94Å; L31-A45 HydrophobicContact CG-CB 4.14Å; L31-K58 VanDerWaalsContact CD2-CE 3.49Å; L31-K58 VanDerWaalsContact CD2-NZ 3.26Å; L31-W102 HydrophobicContact CD2-CH2 3.89Å; L31-W102 HydrophobicContact CD2-CZ3 3.76Å
32	R	92.5	Very high	88.4	Confident	54 Å²	54	56.4 Å²	56.4	20%	0.204	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127	179.1	-52.5	179	-168.9	-175.6	6	110.7	D30 I34 Y43 F44 Y317 E320	D30-R32 VanDerWaalsContact CG-NE 3.28Å; D30-R32 PolarHBondContact O-N 2.66Å; D30-R32 IonicContact OD1-CZ 3.54Å; D30-R32 IonicContact OD1-NE 2.68Å; D30-R32 PolarHBondContact OD1-NE 3.42Å; D30-R32 IonicContact OD1-NH2 2.62Å; D30-R32 PolarHBondContact OD1-NH2 2.97Å; D30-R32 IonicContact OD2-CZ 3.78Å; D30-R32 VanDerWaalsContact OD2-CZ 3.24Å; D30-R32 IonicContact OD2-NE 3.71Å; D30-R32 PolarHBondContact OD2-NE 3.31Å; D30-R32 VanDerWaalsContact OD2-NE 3.12Å; D30-R32 IonicContact OD2-NH2 2.6Å; D30-R32 PolarHBondContact OD2-NH2 2.95Å; R32-I34 PolarHBondContact O-N 2.9Å; R32-Y43 CarbonylContact O-C 3.55Å; R32-Y43 WeakPolarHBondContact O-CA 3.37Å; R32-F44 HydrophobicContact CB-CB 4.43Å; R32-F44 HydrophobicContact CG-CD1 4.45Å; R32-F44 PolarHBondContact N-O 2.87Å; R32-F44 PolarHBondContact O-N 2.95Å; R32-Y317 HydrophobicContact CB-CD2 4.39Å; R32-Y317 HydrophobicContact CB-CE2 3.61Å; R32-Y317 HydrophobicContact CG-CE2 4.33Å; R32-Y317 VanDerWaalsContact NH1-CD1 3.3Å; R32-E320 IonicContact CZ-OE2 3.65Å; R32-E320 IonicContact NH1-OE2 3.96Å; R32-E320 PolarHBondContact NH1-OE2 3.02Å; R32-E320 IonicContact NH2-OE2 2.62Å
33	E	92.4	Very high	88.7	Confident	96 Å²	96	54.5 Å²	54.5	45%	0.449	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.2	-179.2	-167.7	177.3	131.5	0	0	111.5	H36 A41 Y43	E33-H36 IonicContact OE1-ND1 3.64Å; E33-A41 HydrophobicContact CG-CB 4.35Å; E33-Y43 HydrophobicContact CB-CD1 4.08Å; E33-Y43 HydrophobicContact CB-CE1 3.83Å; E33-Y43 HydrophobicContact CG-CE1 4.27Å
34	I	91	Very high	89	Confident	29 Å²	29	51.8 Å²	51.8	15%	0.149	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-9.7	179	61.2	175.5	0	0	0	113.3	R32 V42 F44 Y107 K314 Y317	R32-I34 PolarHBondContact O-N 2.9Å; I34-V42 HydrophobicContact CD1-CG1 3.88Å; I34-V42 HydrophobicContact CG1-CB 4.05Å; I34-V42 HydrophobicContact CG1-CG1 3.91Å; I34-V42 WeakPolarHBondContact CG1-O 3.1Å; I34-V42 PolarHBondContact N-O 2.99Å; I34-F44 HydrophobicContact CG2-CB 3.79Å; I34-Y107 HydrophobicContact CD1-CD2 4.23Å; I34-Y107 HydrophobicContact CD1-CE2 3.74Å; I34-K314 HydrophobicContact CB-CB 4.22Å; I34-K314 HydrophobicContact CB-CD 4.05Å; I34-K314 HydrophobicContact CG2-CB 3.8Å; I34-K314 VanDerWaalsContact O-CD 3.23Å; I34-K314 WeakPolarHBondContact O-CD 3.37Å; I34-K314 PolarHBondContact O-NZ 3.18Å; I34-K314 VanDerWaalsContact O-NZ 3.13Å; I34-Y317 HydrophobicContact CG2-CD2 4.11Å; I34-Y317 HydrophobicContact CG2-CE2 3.83Å
35	G	86.2	Confident	89.1	Confident	28 Å²	28	51.7 Å²	51.7	29%	0.289	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	175.7	165.9	174.3	0	0	0	0	0	112.7	V42	G35-V42 PolarHBondContact N-O 3.47Å; G35-V42 PolarHBondContact O-N 3.29Å
36	H	84.8	Confident	89.3	Confident	127 Å²	127	48.7 Å²	48.7	59%	0.588	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	156.4	175.8	58.9	-102.9	0	0	0	111.5	E33 A41 H360	E33-H36 IonicContact OE1-ND1 3.64Å; H36-A41 HydrophobicContact CB-CB 4.39Å; H36-H360 AromaticContact NE2-CE1 3.99Å
37	G	75	Confident	89.4	Confident	45 Å²	45	44.4 Å²	44.4	46%	0.464	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	-168.9	177.8	0	0	0	0	0	112	F39 G40	G37-F39 VanDerWaalsContact C-N 3.3Å; G37-F39 PolarHBondContact O-N 3.32Å; G37-G40 PolarHBondContact N-O 3.17Å; G37-G40 PolarHBondContact O-N 3.46Å
38	S	72.3	Confident	89.4	Confident	107 Å²	107	46.7 Å²	46.7	75%	0.748	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-34.4	-175.6	49.1	0	0	0	0	114.6
39	F	73	Confident	89.2	Confident	52 Å²	52	51.2 Å²	51.2	23%	0.228	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-18.4	-176.5	-62.3	-76.6	0	0	0	114.1	G37 M59 S60 D72	G37-F39 VanDerWaalsContact C-N 3.3Å; G37-F39 PolarHBondContact O-N 3.32Å; F39-M59 HydrophobicContact CB-CB 4.33Å; F39-M59 HydrophobicContact CB-CG 4Å; F39-M59 HydrophobicContact CB-SD 4.29Å; F39-M59 WeakPolarHBondContact O-CA 3.26Å; F39-S60 PolarHBondContact O-N 2.9Å; F39-D72 HydrophobicContact CE1-CB 3.78Å; F39-D72 HydrophobicContact CZ-CB 4.07Å
40	G	83.9	Confident	89.1	Confident	34 Å²	34	51.7 Å²	51.7	35%	0.351	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	150.8	-150.8	-176.6	0	0	0	0	0	113.1	G37 K58	G37-G40 PolarHBondContact N-O 3.17Å; G37-G40 PolarHBondContact O-N 3.46Å; G40-K58 WeakPolarHBondContact CA-O 3.34Å
41	A	92.1	Very high	89.2	Confident	12 Å²	12	57.7 Å²	57.7	10%	0.099	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	148.8	-172.3	0	0	0	0	0	112.5	E33 H36 Y43 K58	E33-A41 HydrophobicContact CG-CB 4.35Å; H36-A41 HydrophobicContact CB-CB 4.39Å; A41-Y43 HydrophobicContact CB-CE2 3.66Å; A41-Y43 WeakPolarHBondContact CB-OH 3.26Å; A41-K58 PolarHBondContact N-O 2.83Å; A41-K58 VanDerWaalsContact N-O 3.17Å; A41-K58 PolarHBondContact O-N 3.35Å
42	V	94.3	Very high	89.1	Confident	38 Å²	38	58.9 Å²	58.9	23%	0.23	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.6	176.8	-167.4	0	0	0	0	108.8	I34 G35 A55 I56 K57	I34-V42 HydrophobicContact CD1-CG1 3.88Å; I34-V42 HydrophobicContact CG1-CB 4.05Å; I34-V42 HydrophobicContact CG1-CG1 3.91Å; I34-V42 WeakPolarHBondContact CG1-O 3.1Å; I34-V42 PolarHBondContact N-O 2.99Å; G35-V42 PolarHBondContact N-O 3.47Å; G35-V42 PolarHBondContact O-N 3.29Å; V42-A55 HydrophobicContact CG1-CB 4.4Å; V42-I56 CarbonylContact C-O 3.6Å; V42-I56 WeakPolarHBondContact CA-O 3.33Å; V42-K57 HydrophobicContact CG2-CB 4.24Å; V42-K57 HydrophobicContact CG2-CG 4.14Å
43	Y	95.2	Very high	89.2	Confident	53 Å²	53	57.5 Å²	57.5	21%	0.208	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.1	-179.7	-59.8	-92.7	0	0	0	110.6	L31 R32 E33 A41 A55 I56 K58	L31-Y43 HydrophobicContact CB-CD1 4.44Å; R32-Y43 CarbonylContact O-C 3.55Å; R32-Y43 WeakPolarHBondContact O-CA 3.37Å; E33-Y43 HydrophobicContact CB-CD1 4.08Å; E33-Y43 HydrophobicContact CB-CE1 3.83Å; E33-Y43 HydrophobicContact CG-CE1 4.27Å; A41-Y43 HydrophobicContact CB-CE2 3.66Å; A41-Y43 WeakPolarHBondContact CB-OH 3.26Å; Y43-A55 CarbonylContact O-C 3.57Å; Y43-A55 WeakPolarHBondContact O-CA 3.29Å; Y43-I56 PolarHBondContact N-O 3.5Å; Y43-I56 PolarHBondContact O-N 3.45Å; Y43-K58 HydrophobicContact CD2-CB 4.45Å; Y43-K58 HydrophobicContact CD2-CD 3.96Å; Y43-K58 HydrophobicContact CD2-CG 3.88Å; Y43-K58 HydrophobicContact CE2-CB 4.13Å; Y43-K58 HydrophobicContact CE2-CD 3.7Å; Y43-K58 HydrophobicContact CE2-CG 3.89Å
44	F	95.5	Very high	89.4	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	141.9	152	171.1	-87.6	0	0	0	108.4	L31 R32 I34 C53 Y107 Y317 L318 Q321	L31-F44 VanDerWaalsContact CA-O 3.32Å; L31-F44 WeakPolarHBondContact CA-O 3.39Å; R32-F44 HydrophobicContact CB-CB 4.43Å; R32-F44 HydrophobicContact CG-CD1 4.45Å; R32-F44 PolarHBondContact N-O 2.87Å; R32-F44 PolarHBondContact O-N 2.95Å; I34-F44 HydrophobicContact CG2-CB 3.79Å; F44-C53 HydrophobicContact CE2-CB 3.71Å; F44-C53 HydrophobicContact CZ-CB 4.07Å; F44-Y107 HydrophobicContact CB-CD2 4.45Å; F44-Y107 HydrophobicContact CB-CE2 4.12Å; F44-Y107 HydrophobicContact CD2-CD1 4.15Å; F44-Y107 AromaticContact CD2-CD2 3.69Å; F44-Y107 HydrophobicContact CD2-CD2 3.69Å; F44-Y107 HydrophobicContact CD2-CE1 4.06Å; F44-Y107 AromaticContact CD2-CE2 3.61Å; F44-Y107 HydrophobicContact CD2-CE2 3.61Å; F44-Y107 AromaticContact CD2-CG 3.96Å; F44-Y107 HydrophobicContact CD2-CG 3.96Å; F44-Y107 AromaticContact CD2-CZ 3.8Å; F44-Y107 HydrophobicContact CE2-CD1 4.25Å; F44-Y107 HydrophobicContact CE2-CE1 4.3Å; F44-Y107 HydrophobicContact CE2-CG 4.35Å; F44-Y107 HydrophobicContact CG-CE2 4.37Å; F44-Y317 HydrophobicContact CB-CD2 3.8Å; F44-Y317 HydrophobicContact CB-CE2 4.27Å; F44-Y317 HydrophobicContact CD1-CD2 4.19Å; F44-Y317 HydrophobicContact CD2-CD2 4.22Å; F44-Y317 AromaticContact CG-CD2 3.81Å; F44-Y317 HydrophobicContact CG-CD2 3.81Å; F44-Y317 HydrophobicContact CG-CG 4.48Å; F44-L318 HydrophobicContact CE2-CD2 4.4Å; F44-Q321 HydrophobicContact CE1-CG 4.41Å; F44-Q321 HydrophobicContact CZ-CG 3.94Å
45	A	95.6	Very high	89.6	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	163.3	170.7	0	0	0	0	0	111.3	F28 S29 L31 C53 V54 I56	F28-A45 HydrophobicContact CB-CB 4.31Å; S29-A45 CarbonylContact O-C 3.53Å; S29-A45 WeakPolarHBondContact O-CA 3.01Å; L31-A45 HydrophobicContact CD1-CB 3.94Å; L31-A45 HydrophobicContact CG-CB 4.14Å; A45-C53 WeakPolarHBondContact O-CA 3.44Å; A45-V54 HydrophobicContact CB-CG2 4.18Å; A45-V54 PolarHBondContact N-O 3.19Å; A45-V54 WeakPolarHBondContact O-CG2 3.28Å; A45-V54 PolarHBondContact O-N 2.89Å; A45-I56 HydrophobicContact CB-CD1 3.54Å; A45-I56 HydrophobicContact CB-CG1 4.17Å
46	F	94.6	Very high	90.1	Very high	45 Å²	45	50.7 Å²	50.7	20%	0.197	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.8	170	-172.1	-96.8	0	0	0	110.6	F28 S29 R51	F28-F46 WeakPolarHBondContact CA-O 3.47Å; S29-F46 PolarHBondContact N-O 3.26Å; S29-F46 PolarHBondContact O-N 2.72Å; S29-F46 PolarHBondContact OG-O 3.09Å; F46-R51 WeakPolarHBondContact CE2-O 3.32Å; F46-R51 HydrophobicContact CZ-CB 4.02Å; F46-R51 WeakPolarHBondContact CZ-O 3.47Å
47	D	94.4	Very high	90.6	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	114.7	172.7	-172.2	-27.1	0	0	0	109.9	R27 F28 V49 S50 R51 E52 V54	R27-D47 IonicContact CZ-OD1 2.63Å; R27-D47 IonicContact CZ-OD2 3.1Å; R27-D47 VanDerWaalsContact CZ-OD2 3.26Å; R27-D47 IonicContact NE-OD1 3.41Å; R27-D47 PolarHBondContact NE-OD1 3.26Å; R27-D47 IonicContact NE-OD2 2.75Å; R27-D47 PolarHBondContact NE-OD2 3.11Å; R27-D47 IonicContact NH2-OD1 3.67Å; R27-D47 IonicContact NH2-OD2 3.63Å; R27-D47 PolarHBondContact NH2-OD2 3.24Å; F28-D47 HydrophobicContact CD1-CB 3.94Å; F28-D47 HydrophobicContact CE1-CB 3.77Å; D47-V49 PolarHBondContact O-N 3.12Å; D47-V49 WeakPolarHBondContact OD1-CA 3.4Å; D47-V49 WeakPolarHBondContact OD1-CB 3.43Å; D47-V49 PolarHBondContact OD1-N 3.24Å; D47-S50 PolarHBondContact OD1-N 2.71Å; D47-R51 VanDerWaalsContact O-CA 3.26Å; D47-R51 WeakPolarHBondContact O-CA 3.44Å; D47-R51 PolarHBondContact O-N 3.26Å; D47-E52 PolarHBondContact N-O 2.88Å; D47-V54 HydrophobicContact CB-CG1 4.26Å; D47-V54 HydrophobicContact CB-CG2 4.48Å
48	K	92.5	Very high	91.5	Very high	90 Å²	90	45.2 Å²	45.2	39%	0.391	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.2	-178.3	-61.5	166.1	-160.9	158.1	0	112.7	T26 R27 F28 S29	T26-K48 WeakPolarHBondContact O-CD 3.38Å; T26-K48 PolarHBondContact O-NZ 3.48Å; R27-K48 WeakPolarHBondContact O-CB 3.46Å; R27-K48 WeakPolarHBondContact O-CD 3.46Å; R27-K48 VanDerWaalsContact O-CG 3.26Å; R27-K48 WeakPolarHBondContact O-CG 3.17Å; R27-K48 PolarHBondContact O-N 2.91Å; R27-K48 VanDerWaalsContact O-N 3.09Å; F28-K48 WeakPolarHBondContact O-CE 3.38Å; F28-K48 PolarHBondContact O-NZ 3.07Å; S29-K48 WeakPolarHBondContact OG-CE 3.33Å; S29-K48 WeakPolarHBondContact OG-CG 3.34Å
49	V	91.2	Very high	92.5	Very high	99 Å²	99	40.2 Å²	40.2	60%	0.6	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-51.6	-176.2	-176.9	0	0	0	0	111	R27 D47	R27-V49 HydrophobicContact CG-CG2 4.16Å; D47-V49 PolarHBondContact O-N 3.12Å; D47-V49 WeakPolarHBondContact OD1-CA 3.4Å; D47-V49 WeakPolarHBondContact OD1-CB 3.43Å; D47-V49 PolarHBondContact OD1-N 3.24Å
50	S	91	Very high	93.4	Very high	48 Å²	48	39.4 Å²	39.4	34%	0.336	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.2	178	71.3	0	0	0	0	113.8	D47 E52	D47-S50 PolarHBondContact OD1-N 2.71Å; S50-E52 WeakPolarHBondContact CB-OE2 3.49Å; S50-E52 PolarHBondContact O-N 3.37Å; S50-E52 PolarHBondContact OG-N 3.31Å; S50-E52 PolarHBondContact OG-OE2 3.24Å; S50-E52 VanDerWaalsContact OG-OE2 3.09Å
51	R	91.8	Very high	93.7	Very high	187 Å²	187	38.1 Å²	38.1	71%	0.706	19%	0.19	S	C	*	.			trans	62.4	26.4	-172.4	-58.9	-62.6	-166	128.6	4.2	114	F46 D47	F46-R51 WeakPolarHBondContact CE2-O 3.32Å; F46-R51 HydrophobicContact CZ-CB 4.02Å; F46-R51 WeakPolarHBondContact CZ-O 3.47Å; D47-R51 VanDerWaalsContact O-CA 3.26Å; D47-R51 WeakPolarHBondContact O-CA 3.44Å; D47-R51 PolarHBondContact O-N 3.26Å
52	E	92.3	Very high	93.4	Very high	89 Å²	89	40.4 Å²	40.4	42%	0.416	21%	0.205	S	C	.	.			trans	-112.6	156.9	-179.4	-59.7	174.4	115.3	0	0	112.6	D47 S50 K92	D47-E52 PolarHBondContact N-O 2.88Å; S50-E52 WeakPolarHBondContact CB-OE2 3.49Å; S50-E52 PolarHBondContact O-N 3.37Å; S50-E52 PolarHBondContact OG-N 3.31Å; S50-E52 PolarHBondContact OG-OE2 3.24Å; S50-E52 VanDerWaalsContact OG-OE2 3.09Å; E52-K92 IonicContact OE1-NZ 3.84Å; E52-K92 PolarHBondContact OE1-NZ 2.96Å; E52-K92 VanDerWaalsContact OE1-NZ 3.16Å; E52-K92 IonicContact OE2-NZ 2.74Å; E52-K92 PolarHBondContact OE2-NZ 2.89Å
53	C	94.7	Very high	93	Very high	25 Å²	25	40.7 Å²	40.7	17%	0.169	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	137.5	166.4	-62.1	0	0	0	0	110.6	F44 A45 L318	F44-C53 HydrophobicContact CE2-CB 3.71Å; F44-C53 HydrophobicContact CZ-CB 4.07Å; A45-C53 WeakPolarHBondContact O-CA 3.44Å; C53-L318 HydrophobicContact CB-CD2 3.79Å
54	V	95.9	Very high	92.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	155.3	-175.3	-64.4	0	0	0	0	111.6	F28 A45 D47 I56 K92 M105	F28-V54 HydrophobicContact CD1-CG2 3.91Å; F28-V54 HydrophobicContact CE1-CG2 3.84Å; A45-V54 HydrophobicContact CB-CG2 4.18Å; A45-V54 PolarHBondContact N-O 3.19Å; A45-V54 WeakPolarHBondContact O-CG2 3.28Å; A45-V54 PolarHBondContact O-N 2.89Å; D47-V54 HydrophobicContact CB-CG1 4.26Å; D47-V54 HydrophobicContact CB-CG2 4.48Å; V54-I56 HydrophobicContact CG2-CD1 4.36Å; V54-I56 HydrophobicContact CG2-CG1 4.1Å; V54-K92 HydrophobicContact CG1-CD 4.06Å; V54-M105 WeakPolarHBondContact CA-O 3.5Å; V54-M105 WeakPolarHBondContact CB-O 3.47Å
55	A	96.3	Very high	91.7	Very high	9 Å²	9	46.9 Å²	46.9	7%	0.074	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.9	168.9	0	0	0	0	0	109.8	V42 Y43 A104 M105 E106 Y107	V42-A55 HydrophobicContact CG1-CB 4.4Å; Y43-A55 CarbonylContact O-C 3.57Å; Y43-A55 WeakPolarHBondContact O-CA 3.29Å; A55-A104 WeakPolarHBondContact O-CA 3.3Å; A55-M105 HydrophobicContact CB-CE 4.46Å; A55-M105 PolarHBondContact N-O 3.37Å; A55-M105 PolarHBondContact O-N 3.44Å; A55-E106 WeakPolarHBondContact CB-O 3.48Å; A55-Y107 HydrophobicContact CB-CD2 4.33Å
56	I	95.6	Very high	91.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	105.4	-179.1	-56.2	-179.6	0	0	0	109.5	F28 V42 Y43 A45 V54 K58 W102 L103 A104	F28-I56 HydrophobicContact CB-CD1 3.86Å; F28-I56 HydrophobicContact CD1-CD1 3.85Å; F28-I56 HydrophobicContact CD2-CD1 3.56Å; F28-I56 HydrophobicContact CE1-CD1 4.31Å; F28-I56 HydrophobicContact CE2-CD1 4.05Å; F28-I56 HydrophobicContact CG-CD1 3.46Å; F28-I56 VanDerWaalsContact CG-CD1 3.46Å; F28-I56 HydrophobicContact CZ-CD1 4.41Å; V42-I56 CarbonylContact C-O 3.6Å; V42-I56 WeakPolarHBondContact CA-O 3.33Å; Y43-I56 PolarHBondContact N-O 3.5Å; Y43-I56 PolarHBondContact O-N 3.45Å; A45-I56 HydrophobicContact CB-CD1 3.54Å; A45-I56 HydrophobicContact CB-CG1 4.17Å; V54-I56 HydrophobicContact CG2-CD1 4.36Å; V54-I56 HydrophobicContact CG2-CG1 4.1Å; I56-K58 HydrophobicContact CG2-CG 4.03Å; I56-K58 PolarHBondContact O-N 2.88Å; I56-W102 HydrophobicContact CD1-CE3 4.22Å; I56-W102 HydrophobicContact CD1-CZ3 4.41Å; I56-W102 HydrophobicContact CG2-CB 4.04Å; I56-W102 HydrophobicContact CG2-CD2 4.23Å; I56-W102 HydrophobicContact CG2-CE3 3.69Å; I56-W102 HydrophobicContact CG2-CG 4.39Å; I56-L103 CarbonylContact C-O 3.57Å; I56-L103 WeakPolarHBondContact CA-O 3.47Å; I56-A104 HydrophobicContact CG1-CB 4.49Å
57	K	94.9	Very high	90.9	Very high	18 Å²	18	49.3 Å²	49.3	8%	0.078	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	102.4	170.6	-175.8	177.3	-179	-173.6	0	108.7	V42 M59 E76 L103 M105 D169	V42-K57 HydrophobicContact CG2-CB 4.24Å; V42-K57 HydrophobicContact CG2-CG 4.14Å; K57-M59 HydrophobicContact CD-CE 4.42Å; K57-M59 HydrophobicContact CD-CG 4.42Å; K57-M59 HydrophobicContact CD-SD 3.96Å; K57-M59 HydrophobicContact CG-CE 4.39Å; K57-M59 HydrophobicContact CG-CG 3.88Å; K57-M59 HydrophobicContact CG-SD 4.06Å; K57-E76 IonicContact NZ-OE1 2.9Å; K57-E76 PolarHBondContact NZ-OE1 3.07Å; K57-E76 IonicContact NZ-OE2 2.69Å; K57-E76 PolarHBondContact NZ-OE2 3.07Å; K57-L103 HydrophobicContact CB-CB 4.32Å; K57-L103 PolarHBondContact N-O 2.84Å; K57-L103 PolarHBondContact O-N 3.25Å; K57-M105 HydrophobicContact CB-CE 3.89Å; K57-D169 IonicContact NZ-OD1 2.76Å; K57-D169 PolarHBondContact NZ-OD1 3.32Å
58	K	94.6	Very high	90.5	Very high	40 Å²	40	54.3 Å²	54.3	17%	0.174	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.3	174.5	-64.8	-166.7	-169.8	-171.1	0	109.9	L31 G40 A41 Y43 I56 T100 C101 W102	L31-K58 VanDerWaalsContact CD2-CE 3.49Å; L31-K58 VanDerWaalsContact CD2-NZ 3.26Å; G40-K58 WeakPolarHBondContact CA-O 3.34Å; A41-K58 PolarHBondContact N-O 2.83Å; A41-K58 VanDerWaalsContact N-O 3.17Å; A41-K58 PolarHBondContact O-N 3.35Å; Y43-K58 HydrophobicContact CD2-CB 4.45Å; Y43-K58 HydrophobicContact CD2-CD 3.96Å; Y43-K58 HydrophobicContact CD2-CG 3.88Å; Y43-K58 HydrophobicContact CE2-CB 4.13Å; Y43-K58 HydrophobicContact CE2-CD 3.7Å; Y43-K58 HydrophobicContact CE2-CG 3.89Å; I56-K58 HydrophobicContact CG2-CG 4.03Å; I56-K58 PolarHBondContact O-N 2.88Å; K58-T100 HydrophobicContact CB-CG2 4.08Å; K58-C101 CarbonylContact C-O 3.54Å; K58-C101 WeakPolarHBondContact CA-O 3.28Å; K58-W102 HydrophobicContact CD-CD2 4.11Å; K58-W102 HydrophobicContact CD-CE3 4.5Å; K58-W102 HydrophobicContact CD-CZ2 4.14Å; K58-W102 VanDerWaalsContact CE-CH2 3.45Å; K58-W102 VanDerWaalsContact CE-CZ2 3.48Å; K58-W102 HydrophobicContact CG-CD2 4.07Å; K58-W102 HydrophobicContact CG-CE3 4.5Å; K58-W102 HydrophobicContact CG-CG 4.2Å
59	M	93.5	Very high	90.3	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	111.4	-175.1	-59.7	179.4	-80.9	0	0	110.8	F39 K57 I73 T100 C101 L103	F39-M59 HydrophobicContact CB-CB 4.33Å; F39-M59 HydrophobicContact CB-CG 4Å; F39-M59 HydrophobicContact CB-SD 4.29Å; F39-M59 WeakPolarHBondContact O-CA 3.26Å; K57-M59 HydrophobicContact CD-CE 4.42Å; K57-M59 HydrophobicContact CD-CG 4.42Å; K57-M59 HydrophobicContact CD-SD 3.96Å; K57-M59 HydrophobicContact CG-CE 4.39Å; K57-M59 HydrophobicContact CG-CG 3.88Å; K57-M59 HydrophobicContact CG-SD 4.06Å; M59-I73 HydrophobicContact CB-CD1 3.67Å; M59-I73 HydrophobicContact CB-CG1 3.8Å; M59-I73 HydrophobicContact CE-CG1 4.32Å; M59-I73 HydrophobicContact CE-CG2 4.27Å; M59-I73 HydrophobicContact SD-CG1 4Å; M59-T100 WeakPolarHBondContact O-CA 3.46Å; M59-C101 HydrophobicContact CB-CB 4.42Å; M59-C101 PolarHBondContact N-O 2.97Å; M59-C101 PolarHBondContact O-N 2.68Å; M59-L103 HydrophobicContact CE-CB 3.85Å; M59-L103 HydrophobicContact CE-CD2 4.05Å
60	S	91.6	Very high	90.2	Very high	35 Å²	35	48.9 Å²	48.9	25%	0.245	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.5	-174.9	-173.4	0	0	0	0	112.4	F39 S62 K69 H99	F39-S60 PolarHBondContact O-N 2.9Å; S60-S62 VanDerWaalsContact C-N 3.29Å; S60-S62 PolarHBondContact O-N 2.94Å; S60-S62 PolarHBondContact OG-OG 3.07Å; S60-K69 VanDerWaalsContact O-CD 3.29Å; S60-K69 WeakPolarHBondContact O-CD 3.35Å; S60-K69 PolarHBondContact O-NZ 2.97Å; S60-H99 WeakPolarHBondContact CA-O 3.48Å; S60-H99 PolarHBondContact OG-O 3.32Å
61	Y	90.8	Very high	90.2	Very high	8 Å²	8	49.2 Å²	49.2	3%	0.031	26%	0.264	C	S	.	.			trans	-94.1	35.2	177	63.2	-86	0	0	0	112.5	P7 G8 S66 W70 I73 N96 H99	P7-Y61 HydrophobicContact CB-CD2 4Å; P7-Y61 HydrophobicContact CB-CE2 4.36Å; G8-Y61 VanDerWaalsContact CA-CE2 3.48Å; G8-Y61 WeakPolarHBondContact CA-OH 3.45Å; Y61-S66 WeakPolarHBondContact O-CA 3.45Å; Y61-S66 WeakPolarHBondContact O-CB 3.46Å; Y61-W70 AromaticContact CD1-CE3 3.52Å; Y61-W70 HydrophobicContact CD1-CE3 3.52Å; Y61-W70 AromaticContact CD1-CZ3 3.89Å; Y61-W70 HydrophobicContact CD1-CZ3 3.89Å; Y61-W70 HydrophobicContact CD2-CB 4.33Å; Y61-W70 HydrophobicContact CD2-CD2 4.49Å; Y61-W70 HydrophobicContact CD2-CE3 4Å; Y61-W70 AromaticContact CE1-CE3 3.54Å; Y61-W70 HydrophobicContact CE1-CE3 3.54Å; Y61-W70 AromaticContact CE1-CZ3 3.47Å; Y61-W70 HydrophobicContact CE1-CZ3 3.47Å; Y61-W70 VanDerWaalsContact CE1-CZ3 3.47Å; Y61-W70 HydrophobicContact CE2-CE3 4.03Å; Y61-W70 HydrophobicContact CE2-CZ3 4.46Å; Y61-W70 HydrophobicContact CG-CB 4.35Å; Y61-W70 AromaticContact CG-CE3 3.77Å; Y61-W70 HydrophobicContact CG-CE3 3.77Å; Y61-W70 AromaticContact CZ-CE3 3.8Å; Y61-W70 AromaticContact CZ-CZ3 3.8Å; Y61-I73 HydrophobicContact CD1-CD1 4.16Å; Y61-N96 VanDerWaalsContact CE1-OD1 3.28Å; Y61-N96 WeakPolarHBondContact CE1-OD1 3.48Å; Y61-N96 PolarHBondContact OH-ND2 3.04Å; Y61-N96 VanDerWaalsContact OH-ND2 3.08Å; Y61-N96 PolarHBondContact OH-OD1 3.16Å; Y61-N96 VanDerWaalsContact OH-OD1 3.12Å; Y61-H99 WeakPolarHBondContact CD1-O 3.25Å; Y61-H99 WeakPolarHBondContact CE1-O 3.42Å; Y61-H99 HydrophobicContact CE2-CB 4.3Å; Y61-H99 AromaticContact CE2-ND1 3.46Å; Y61-H99 WeakPolarHBondContact CE2-ND1 3.31Å; Y61-H99 PolarHBondContact N-O 3.01Å
62	S	86.1	Confident	90	Very high	59 Å²	59	42.1 Å²	42.1	41%	0.413	24%	0.24	S	C	.	.			trans	-82.9	158.7	175.1	54.8	0	0	0	0	113.5	S60	S60-S62 VanDerWaalsContact C-N 3.29Å; S60-S62 PolarHBondContact O-N 2.94Å; S60-S62 PolarHBondContact OG-OG 3.07Å
63	G	84	Confident	89.9	Confident	45 Å²	45	38 Å²	38	46%	0.464	22%	0.221	S	C	.	.	S	Bend	trans	83	-172.1	174.4	0	0	0	0	0	116	Q65 S66	G63-Q65 PolarHBondContact O-N 3.49Å; G63-Q65 VanDerWaalsContact O-N 3.13Å; G63-S66 WeakPolarHBondContact O-CB 3.48Å; G63-S66 PolarHBondContact O-N 2.98Å; G63-S66 PolarHBondContact O-OG 2.93Å
64	K	80.4	Confident	89.7	Confident	119 Å²	119	37.2 Å²	37.2	52%	0.517	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.6	-40.1	178	-94.3	167.3	-178.7	138.7	0	115.6	S66 D354	K64-S66 VanDerWaalsContact C-N 3.31Å; K64-S66 PolarHBondContact O-N 3.07Å; K64-D354 WeakPolarHBondContact CB-OD1 3.5Å; K64-D354 VanDerWaalsContact CD-OD2 3.23Å; K64-D354 WeakPolarHBondContact CD-OD2 3.38Å; K64-D354 WeakPolarHBondContact CE-OD2 2.94Å; K64-D354 VanDerWaalsContact CG-OD1 3.26Å; K64-D354 WeakPolarHBondContact CG-OD1 3.4Å; K64-D354 PolarHBondContact N-OD1 2.73Å; K64-D354 PolarHBondContact NZ-O 3.37Å; K64-D354 IonicContact NZ-OD2 3.96Å; K64-D354 PolarHBondContact NZ-OD2 2.76Å
65	Q	83.8	Confident	89.4	Confident	63 Å²	63	42.2 Å²	42.2	29%	0.294	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	13.2	-179.1	-89.2	-178.3	-44.4	0	0	114.5	G63 A67 E68 K69 L356	G63-Q65 PolarHBondContact O-N 3.49Å; G63-Q65 VanDerWaalsContact O-N 3.13Å; Q65-A67 VanDerWaalsContact C-N 3.28Å; Q65-A67 PolarHBondContact O-N 2.88Å; Q65-A67 VanDerWaalsContact O-N 3.16Å; Q65-E68 WeakPolarHBondContact CG-OE2 3.17Å; Q65-E68 PolarHBondContact NE2-OE2 3.3Å; Q65-E68 PolarHBondContact O-N 3.2Å; Q65-E68 VanDerWaalsContact O-N 3.13Å; Q65-K69 HydrophobicContact CB-CG 4.43Å; Q65-K69 PolarHBondContact O-N 3.39Å; Q65-L356 HydrophobicContact CB-CD2 4.3Å; Q65-L356 VanDerWaalsContact CD-CD2 3.49Å; Q65-L356 HydrophobicContact CG-CD2 3.68Å
66	S	86.8	Confident	89.1	Confident	33 Å²	33	42 Å²	42	23%	0.231	24%	0.235	C	C	.	.	H	α-helix	trans	-49.1	-41.5	-177.9	46.3	0	0	0	0	114.9	Y61 G63 K64 W70	Y61-S66 WeakPolarHBondContact O-CA 3.45Å; Y61-S66 WeakPolarHBondContact O-CB 3.46Å; G63-S66 WeakPolarHBondContact O-CB 3.48Å; G63-S66 PolarHBondContact O-N 2.98Å; G63-S66 PolarHBondContact O-OG 2.93Å; K64-S66 VanDerWaalsContact C-N 3.31Å; K64-S66 PolarHBondContact O-N 3.07Å; S66-W70 WeakPolarHBondContact O-CB 3.16Å; S66-W70 PolarHBondContact O-N 3.19Å
67	A	85.9	Confident	89	Confident	63 Å²	63	42 Å²	42	52%	0.521	24%	0.235	S	C	.	.	H	α-helix	trans	-70.3	-40	179.7	0	0	0	0	0	113.8	P7 Q65 S71	P7-A67 HydrophobicContact CG-CB 3.89Å; Q65-A67 VanDerWaalsContact C-N 3.28Å; Q65-A67 PolarHBondContact O-N 2.88Å; Q65-A67 VanDerWaalsContact O-N 3.16Å; A67-S71 WeakPolarHBondContact O-CB 3.23Å; A67-S71 PolarHBondContact O-N 2.98Å; A67-S71 VanDerWaalsContact O-N 3.08Å
68	E	86.3	Confident	88.9	Confident	109 Å²	109	44.3 Å²	44.3	51%	0.509	24%	0.243	S	C	.	.	H	α-helix	trans	-66.9	-53.3	178.2	-174.8	172.5	-150.1	0	0	110	Q65 W70 S71 D72	Q65-E68 WeakPolarHBondContact CG-OE2 3.17Å; Q65-E68 PolarHBondContact NE2-OE2 3.3Å; Q65-E68 PolarHBondContact O-N 3.2Å; Q65-E68 VanDerWaalsContact O-N 3.13Å; E68-W70 VanDerWaalsContact C-N 3.33Å; E68-W70 PolarHBondContact O-N 3.15Å; E68-S71 WeakPolarHBondContact O-CA 3.15Å; E68-S71 VanDerWaalsContact O-CB 3.24Å; E68-S71 WeakPolarHBondContact O-CB 3.41Å; E68-S71 PolarHBondContact O-N 3.22Å; E68-D72 PolarHBondContact O-N 2.72Å
69	K	88.2	Confident	88.8	Confident	54 Å²	54	42.6 Å²	42.6	24%	0.235	24%	0.235	C	C	.	.	H	α-helix	trans	-56.3	-42.5	175.2	-69.2	-179.6	169.5	-172.3	0	113.3	S60 Q65 S71 D72 I73	S60-K69 VanDerWaalsContact O-CD 3.29Å; S60-K69 WeakPolarHBondContact O-CD 3.35Å; S60-K69 PolarHBondContact O-NZ 2.97Å; Q65-K69 HydrophobicContact CB-CG 4.43Å; Q65-K69 PolarHBondContact O-N 3.39Å; K69-S71 VanDerWaalsContact C-N 3.32Å; K69-D72 PolarHBondContact O-N 2.85Å; K69-I73 WeakPolarHBondContact O-CB 3.45Å; K69-I73 WeakPolarHBondContact O-CD1 3.41Å; K69-I73 VanDerWaalsContact O-CG1 3.23Å; K69-I73 WeakPolarHBondContact O-CG1 3.32Å; K69-I73 PolarHBondContact O-N 3.28Å
70	W	90.5	Very high	88.7	Confident	21 Å²	21	42.6 Å²	42.6	8%	0.08	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-37.5	177.4	-179.2	-108.3	0	0	0	111.9	P7 G8 L10 I15 F19 Y61 S66 E68 V74	P7-W70 HydrophobicContact CB-CB 4.01Å; P7-W70 HydrophobicContact CB-CG 4.29Å; G8-W70 VanDerWaalsContact N-CD2 3.35Å; L10-W70 HydrophobicContact CD2-CH2 4.1Å; L10-W70 HydrophobicContact CD2-CZ2 4.05Å; I15-W70 HydrophobicContact CG2-CZ2 3.87Å; F19-W70 HydrophobicContact CE1-CH2 4.12Å; F19-W70 HydrophobicContact CE1-CZ3 4.48Å; F19-W70 AromaticContact CE2-CH2 3.66Å; F19-W70 HydrophobicContact CE2-CH2 3.66Å; F19-W70 HydrophobicContact CE2-CZ2 4.02Å; F19-W70 AromaticContact CZ-CH2 3.36Å; F19-W70 HydrophobicContact CZ-CH2 3.36Å; F19-W70 HydrophobicContact CZ-CZ2 4.07Å; F19-W70 AromaticContact CZ-CZ3 3.97Å; F19-W70 HydrophobicContact CZ-CZ3 3.97Å; Y61-W70 AromaticContact CD1-CE3 3.52Å; Y61-W70 HydrophobicContact CD1-CE3 3.52Å; Y61-W70 AromaticContact CD1-CZ3 3.89Å; Y61-W70 HydrophobicContact CD1-CZ3 3.89Å; Y61-W70 HydrophobicContact CD2-CB 4.33Å; Y61-W70 HydrophobicContact CD2-CD2 4.49Å; Y61-W70 HydrophobicContact CD2-CE3 4Å; Y61-W70 AromaticContact CE1-CE3 3.54Å; Y61-W70 HydrophobicContact CE1-CE3 3.54Å; Y61-W70 AromaticContact CE1-CZ3 3.47Å; Y61-W70 HydrophobicContact CE1-CZ3 3.47Å; Y61-W70 VanDerWaalsContact CE1-CZ3 3.47Å; Y61-W70 HydrophobicContact CE2-CE3 4.03Å; Y61-W70 HydrophobicContact CE2-CZ3 4.46Å; Y61-W70 HydrophobicContact CG-CB 4.35Å; Y61-W70 AromaticContact CG-CE3 3.77Å; Y61-W70 HydrophobicContact CG-CE3 3.77Å; Y61-W70 AromaticContact CZ-CE3 3.8Å; Y61-W70 AromaticContact CZ-CZ3 3.8Å; S66-W70 WeakPolarHBondContact O-CB 3.16Å; S66-W70 PolarHBondContact O-N 3.19Å; E68-W70 VanDerWaalsContact C-N 3.33Å; E68-W70 PolarHBondContact O-N 3.15Å; W70-V74 HydrophobicContact CD2-CG2 4.14Å; W70-V74 HydrophobicContact CH2-CG2 4.47Å; W70-V74 HydrophobicContact CZ2-CG2 3.87Å; W70-V74 WeakPolarHBondContact O-CB 3.48Å; W70-V74 VanDerWaalsContact O-CG2 3.3Å; W70-V74 WeakPolarHBondContact O-CG2 3.42Å; W70-V74 PolarHBondContact O-N 3.2Å
71	S	89.2	Confident	88.8	Confident	55 Å²	55	45 Å²	45	39%	0.385	24%	0.241	S	C	.	.	H	α-helix	trans	-60.2	-46.4	173.2	-166.8	0	0	0	0	111.4	A67 E68 K69 V74 K75	A67-S71 WeakPolarHBondContact O-CB 3.23Å; A67-S71 PolarHBondContact O-N 2.98Å; A67-S71 VanDerWaalsContact O-N 3.08Å; E68-S71 WeakPolarHBondContact O-CA 3.15Å; E68-S71 VanDerWaalsContact O-CB 3.24Å; E68-S71 WeakPolarHBondContact O-CB 3.41Å; E68-S71 PolarHBondContact O-N 3.22Å; K69-S71 VanDerWaalsContact C-N 3.32Å; S71-V74 PolarHBondContact O-N 3.31Å; S71-K75 VanDerWaalsContact O-CG 3.27Å; S71-K75 WeakPolarHBondContact O-CG 3.38Å; S71-K75 PolarHBondContact O-N 2.88Å; S71-K75 VanDerWaalsContact OG-CE 3.28Å; S71-K75 WeakPolarHBondContact OG-CE 3.39Å
72	D	87.6	Confident	88.8	Confident	38 Å²	38	48.9 Å²	48.9	20%	0.203	26%	0.26	C	S	.	.	H	α-helix	trans	-69	-41.2	-179.5	-63.6	-27.2	0	0	0	112.9	F39 E68 K69 V74 K75 E76	F39-D72 HydrophobicContact CE1-CB 3.78Å; F39-D72 HydrophobicContact CZ-CB 4.07Å; E68-D72 PolarHBondContact O-N 2.72Å; K69-D72 PolarHBondContact O-N 2.85Å; D72-V74 VanDerWaalsContact C-N 3.33Å; D72-V74 PolarHBondContact O-N 3Å; D72-K75 WeakPolarHBondContact O-CB 3.4Å; D72-K75 PolarHBondContact O-N 2.93Å; D72-K75 IonicContact OD1-NZ 3.19Å; D72-K75 PolarHBondContact OD1-NZ 2.76Å; D72-E76 PolarHBondContact O-N 3.28Å
73	I	91	Very high	89.2	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-56.5	-47.7	171.4	-72.2	164.8	0	0	0	110.7	M59 Y61 K69 K75 E76 V77 C101	M59-I73 HydrophobicContact CB-CD1 3.67Å; M59-I73 HydrophobicContact CB-CG1 3.8Å; M59-I73 HydrophobicContact CE-CG1 4.32Å; M59-I73 HydrophobicContact CE-CG2 4.27Å; M59-I73 HydrophobicContact SD-CG1 4Å; Y61-I73 HydrophobicContact CD1-CD1 4.16Å; K69-I73 WeakPolarHBondContact O-CB 3.45Å; K69-I73 WeakPolarHBondContact O-CD1 3.41Å; K69-I73 VanDerWaalsContact O-CG1 3.23Å; K69-I73 WeakPolarHBondContact O-CG1 3.32Å; K69-I73 PolarHBondContact O-N 3.28Å; I73-K75 VanDerWaalsContact C-N 3.33Å; I73-K75 PolarHBondContact O-N 3.16Å; I73-E76 PolarHBondContact O-N 2.83Å; I73-V77 HydrophobicContact CG2-CG2 4.36Å; I73-V77 WeakPolarHBondContact O-CB 3.25Å; I73-V77 VanDerWaalsContact O-CG2 3.26Å; I73-V77 WeakPolarHBondContact O-CG2 3.38Å; I73-V77 PolarHBondContact O-N 3.33Å; I73-C101 HydrophobicContact CD1-CB 4.24Å; I73-C101 HydrophobicContact CG2-CB 3.58Å; I73-C101 VanDerWaalsContact CG2-SG 3.54Å
74	V	91.1	Very high	89.7	Confident	10 Å²	10	55.1 Å²	55.1	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-67.9	-32.2	180	168.5	0	0	0	0	111.7	I15 L18 W70 S71 D72 R78	I15-V74 HydrophobicContact CG2-CG2 4.24Å; L18-V74 HydrophobicContact CD1-CG1 4.02Å; W70-V74 HydrophobicContact CD2-CG2 4.14Å; W70-V74 HydrophobicContact CH2-CG2 4.47Å; W70-V74 HydrophobicContact CZ2-CG2 3.87Å; W70-V74 WeakPolarHBondContact O-CB 3.48Å; W70-V74 VanDerWaalsContact O-CG2 3.3Å; W70-V74 WeakPolarHBondContact O-CG2 3.42Å; W70-V74 PolarHBondContact O-N 3.2Å; S71-V74 PolarHBondContact O-N 3.31Å; D72-V74 VanDerWaalsContact C-N 3.33Å; D72-V74 PolarHBondContact O-N 3Å; V74-R78 WeakPolarHBondContact O-CB 3.21Å; V74-R78 PolarHBondContact O-N 2.9Å
75	K	89	Confident	90.5	Very high	105 Å²	105	52.1 Å²	52.1	46%	0.457	25%	0.249	S	C	.	.	H	α-helix	trans	-63.8	-52.6	170.5	-69.5	165.3	-151.3	163.5	0	111.1	S71 D72 I73 R78 F79	S71-K75 VanDerWaalsContact O-CG 3.27Å; S71-K75 WeakPolarHBondContact O-CG 3.38Å; S71-K75 PolarHBondContact O-N 2.88Å; S71-K75 VanDerWaalsContact OG-CE 3.28Å; S71-K75 WeakPolarHBondContact OG-CE 3.39Å; D72-K75 WeakPolarHBondContact O-CB 3.4Å; D72-K75 PolarHBondContact O-N 2.93Å; D72-K75 IonicContact OD1-NZ 3.19Å; D72-K75 PolarHBondContact OD1-NZ 2.76Å; I73-K75 VanDerWaalsContact C-N 3.33Å; I73-K75 PolarHBondContact O-N 3.16Å; K75-R78 PolarHBondContact O-N 3.43Å; K75-F79 VanDerWaalsContact O-CB 3.28Å; K75-F79 WeakPolarHBondContact O-CB 3.47Å; K75-F79 PolarHBondContact O-N 3.38Å
76	E	91.1	Very high	91.1	Very high	4 Å²	4	54 Å²	54	2%	0.019	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-48.3	-177.2	-173.5	178.6	163.5	0	0	111.5	K57 D72 I73 R78 F79 L80 F170	K57-E76 IonicContact NZ-OE1 2.9Å; K57-E76 PolarHBondContact NZ-OE1 3.07Å; K57-E76 IonicContact NZ-OE2 2.69Å; K57-E76 PolarHBondContact NZ-OE2 3.07Å; D72-E76 PolarHBondContact O-N 3.28Å; I73-E76 PolarHBondContact O-N 2.83Å; E76-R78 PolarHBondContact O-N 3.42Å; E76-F79 PolarHBondContact O-N 2.93Å; E76-L80 WeakPolarHBondContact O-CB 3.49Å; E76-L80 PolarHBondContact O-N 2.68Å; E76-F170 HydrophobicContact CG-CB 4.28Å
77	V	92.8	Very high	91.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-44.1	178.6	173.2	0	0	0	0	111.1	L18 I73 K81 F91 C94 L103	L18-V77 HydrophobicContact CB-CG1 3.96Å; L18-V77 HydrophobicContact CD1-CG1 4.38Å; I73-V77 HydrophobicContact CG2-CG2 4.36Å; I73-V77 WeakPolarHBondContact O-CB 3.25Å; I73-V77 VanDerWaalsContact O-CG2 3.26Å; I73-V77 WeakPolarHBondContact O-CG2 3.38Å; I73-V77 PolarHBondContact O-N 3.33Å; V77-K81 WeakPolarHBondContact O-CB 3.43Å; V77-K81 PolarHBondContact O-N 2.85Å; V77-F91 HydrophobicContact CG1-CE2 4.14Å; V77-C94 HydrophobicContact CG1-CB 4.11Å; V77-L103 HydrophobicContact CG2-CD1 4.42Å; V77-L103 HydrophobicContact CG2-CD2 4.36Å
78	R	92	Very high	92.1	Very high	66 Å²	66	49.6 Å²	49.6	25%	0.249	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-35.4	176.5	-174.2	-174.5	-93.3	126.2	-18.4	111.8	E14 L18 V74 K75 E76 Q82	E14-R78 IonicContact OE2-CZ 3.68Å; E14-R78 IonicContact OE2-NH2 2.74Å; E14-R78 PolarHBondContact OE2-NH2 3.35Å; L18-R78 HydrophobicContact CD1-CB 4.17Å; L18-R78 HydrophobicContact CD2-CB 4.33Å; V74-R78 WeakPolarHBondContact O-CB 3.21Å; V74-R78 PolarHBondContact O-N 2.9Å; K75-R78 PolarHBondContact O-N 3.43Å; E76-R78 PolarHBondContact O-N 3.42Å; R78-Q82 VanDerWaalsContact O-CD 3.26Å; R78-Q82 VanDerWaalsContact O-CG 3.25Å; R78-Q82 WeakPolarHBondContact O-CG 3.47Å
79	F	92.2	Very high	92.6	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-56	176.8	-167.6	-86.4	0	0	0	110.7	K75 E76 Q82 L83 I142 R147 F170 A173 S174 L175	K75-F79 VanDerWaalsContact O-CB 3.28Å; K75-F79 WeakPolarHBondContact O-CB 3.47Å; K75-F79 PolarHBondContact O-N 3.38Å; E76-F79 PolarHBondContact O-N 2.93Å; F79-Q82 PolarHBondContact O-N 3.02Å; F79-L83 HydrophobicContact CD1-CD1 3.8Å; F79-L83 HydrophobicContact CD1-CG 4.44Å; F79-L83 HydrophobicContact CE1-CD1 3.66Å; F79-L83 HydrophobicContact CE1-CD2 4.3Å; F79-L83 HydrophobicContact CE1-CG 4.39Å; F79-I142 HydrophobicContact CZ-CG2 4.36Å; F79-R147 HydrophobicContact CE2-CB 3.9Å; F79-R147 HydrophobicContact CE2-CG 3.99Å; F79-R147 HydrophobicContact CZ-CB 3.82Å; F79-R147 HydrophobicContact CZ-CG 4.22Å; F79-F170 HydrophobicContact CD1-CB 3.78Å; F79-F170 AromaticContact CD1-CD1 3.64Å; F79-F170 HydrophobicContact CD1-CD1 3.64Å; F79-F170 HydrophobicContact CD1-CE1 4.45Å; F79-F170 AromaticContact CD1-CG 3.84Å; F79-F170 HydrophobicContact CD1-CG 3.84Å; F79-F170 HydrophobicContact CE1-CB 4.31Å; F79-F170 AromaticContact CE1-CD1 3.33Å; F79-F170 HydrophobicContact CE1-CD1 3.33Å; F79-F170 AromaticContact CE1-CE1 3.87Å; F79-F170 HydrophobicContact CE1-CE1 3.87Å; F79-F170 HydrophobicContact CE1-CG 4.03Å; F79-F170 HydrophobicContact CZ-CD1 4.4Å; F79-A173 HydrophobicContact CD1-CB 3.95Å; F79-A173 HydrophobicContact CD2-CB 3.91Å; F79-A173 HydrophobicContact CE1-CB 3.72Å; F79-A173 HydrophobicContact CE2-CB 3.7Å; F79-A173 HydrophobicContact CG-CB 4.05Å; F79-A173 HydrophobicContact CZ-CB 3.6Å; F79-S174 WeakPolarHBondContact CE2-O 3.39Å; F79-L175 HydrophobicContact CD2-CD2 3.47Å; F79-L175 VanDerWaalsContact CD2-CD2 3.47Å; F79-L175 HydrophobicContact CD2-CG 3.87Å; F79-L175 HydrophobicContact CE2-CD2 4.01Å; F79-L175 HydrophobicContact CE2-CG 4.44Å; F79-L175 HydrophobicContact CG-CD2 4.38Å
80	L	92.8	Very high	93	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-39.8	-173.9	-174.3	54.4	0	0	0	112.7	E76 Q82 L83 I88 V89 F91 L103 M105 F170	E76-L80 WeakPolarHBondContact O-CB 3.49Å; E76-L80 PolarHBondContact O-N 2.68Å; L80-Q82 PolarHBondContact O-N 3.3Å; L80-L83 HydrophobicContact CD1-CD1 4.16Å; L80-L83 PolarHBondContact O-N 3.11Å; L80-I88 HydrophobicContact CD1-CG2 4.2Å; L80-V89 HydrophobicContact CD1-CG1 4.19Å; L80-V89 WeakPolarHBondContact CD1-O 3.48Å; L80-V89 HydrophobicContact CD2-CG1 4.35Å; L80-F91 HydrophobicContact CG-CB 4.21Å; L80-F91 HydrophobicContact CG-CD2 4.4Å; L80-L103 HydrophobicContact CD2-CD2 4.2Å; L80-M105 HydrophobicContact CD2-CG 4.19Å; L80-M105 HydrophobicContact CD2-SD 3.81Å; L80-F170 HydrophobicContact CD1-CD2 3.66Å; L80-F170 HydrophobicContact CD1-CE2 3.68Å; L80-F170 HydrophobicContact CG-CD2 4.47Å
81	K	92.5	Very high	93.2	Very high	84 Å²	84	48 Å²	48	37%	0.365	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.8	176.8	-173.9	169.4	-174.3	167.2	0	113.8	A17 L18 V77 F91	A17-K81 PolarHBondContact O-NZ 3.29Å; L18-K81 HydrophobicContact CD2-CD 4.02Å; V77-K81 WeakPolarHBondContact O-CB 3.43Å; V77-K81 PolarHBondContact O-N 2.85Å; K81-F91 HydrophobicContact CB-CD1 4.22Å; K81-F91 HydrophobicContact CB-CD2 4.04Å; K81-F91 HydrophobicContact CB-CE1 4.27Å; K81-F91 HydrophobicContact CB-CE2 4.08Å; K81-F91 HydrophobicContact CB-CG 4.12Å; K81-F91 HydrophobicContact CB-CZ 4.2Å; K81-F91 HydrophobicContact CD-CE1 3.9Å; K81-F91 HydrophobicContact CD-CZ 3.9Å; K81-F91 HydrophobicContact CG-CD1 4.01Å; K81-F91 HydrophobicContact CG-CE1 3.87Å; K81-F91 HydrophobicContact CG-CG 4.41Å; K81-F91 HydrophobicContact CG-CZ 4.14Å
82	Q	91.4	Very high	93.4	Very high	90 Å²	90	48.2 Å²	48.2	42%	0.421	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-3.3	179.1	-68.2	173.9	-5.3	0	0	113.9	R78 F79 L80	R78-Q82 VanDerWaalsContact O-CD 3.26Å; R78-Q82 VanDerWaalsContact O-CG 3.25Å; R78-Q82 WeakPolarHBondContact O-CG 3.47Å; F79-Q82 PolarHBondContact O-N 3.02Å; L80-Q82 PolarHBondContact O-N 3.3Å
83	L	94	Very high	93.7	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.052	21%	0.206	C	C	.	.			trans	-99.4	135.7	-179.3	-54	172.6	0	0	0	110.8	F79 L80 I88 Y141 L145 F170	F79-L83 HydrophobicContact CD1-CD1 3.8Å; F79-L83 HydrophobicContact CD1-CG 4.44Å; F79-L83 HydrophobicContact CE1-CD1 3.66Å; F79-L83 HydrophobicContact CE1-CD2 4.3Å; F79-L83 HydrophobicContact CE1-CG 4.39Å; L80-L83 HydrophobicContact CD1-CD1 4.16Å; L80-L83 PolarHBondContact O-N 3.11Å; L83-I88 HydrophobicContact CB-CD1 4.25Å; L83-I88 HydrophobicContact CB-CG2 4.1Å; L83-I88 HydrophobicContact CD1-CD1 4.17Å; L83-I88 HydrophobicContact CD1-CG2 3.91Å; L83-Y141 HydrophobicContact CB-CE1 4.26Å; L83-Y141 HydrophobicContact CD2-CE1 4Å; L83-L145 HydrophobicContact CD2-CD1 4.23Å; L83-F170 HydrophobicContact CD1-CD1 4.27Å; L83-F170 HydrophobicContact CD1-CE1 3.89Å; L83-F170 HydrophobicContact CD1-CE2 4.23Å; L83-F170 HydrophobicContact CD1-CZ 3.88Å
84	R	94.7	Very high	93.9	Very high	225 Å²	225	47.3 Å²	47.3	85%	0.849	21%	0.206	S	C	*	.			trans	-141.8	94.8	170.5	-70.8	-172	172.7	-168.7	-5.8	109.9	Y141	R84-Y141 PolarHBondContact N-OH 2.75Å; R84-Y141 PolarHBondContact O-OH 2.95Å
85	H	96.9	Very high	94	Very high	57 Å²	57	46.9 Å²	46.9	26%	0.264	20%	0.204	S	C	.	.			trans	-151.8	147.7	177.4	-176.3	-111.1	0	0	0	110.6	N87 I88 Q137 Y141	H85-N87 VanDerWaalsContact C-N 3.26Å; H85-N87 PolarHBondContact CE1-OD1 2.82Å; H85-N87 VanDerWaalsContact CE1-OD1 3.24Å; H85-N87 PolarHBondContact ND1-N 3.18Å; H85-N87 PolarHBondContact O-N 2.84Å; H85-I88 HydrophobicContact CB-CD1 4Å; H85-I88 HydrophobicContact CB-CG1 4.23Å; H85-I88 PolarHBondContact O-N 3.33Å; H85-I88 VanDerWaalsContact O-N 3.15Å; H85-Q137 PolarHBondContact CE1-O 2.99Å; H85-Y141 HydrophobicContact CB-CD1 3.68Å; H85-Y141 HydrophobicContact CB-CD2 4.13Å; H85-Y141 HydrophobicContact CB-CE1 3.92Å; H85-Y141 HydrophobicContact CB-CE2 4.35Å; H85-Y141 HydrophobicContact CB-CG 3.78Å; H85-Y141 AromaticContact CG-CG 3.96Å
86	K	96.7	Very high	94.2	Very high	101 Å²	101	43.8 Å²	43.8	44%	0.439	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-36.6	-174.4	69.2	176.8	176.3	63.3	0	113.2	I88 E134 K166	K86-I88 VanDerWaalsContact C-N 3.3Å; K86-I88 PolarHBondContact O-N 3.18Å; K86-E134 IonicContact NZ-OE1 2.66Å; K86-E134 PolarHBondContact NZ-OE1 3.08Å; K86-K166 WeakPolarHBondContact O-CE 3.42Å; K86-K166 WeakPolarHBondContact O-CG 3.21Å; K86-K166 PolarHBondContact O-NZ 2.86Å
87	N	97.5	Very high	94.1	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	26.1	-178.8	-53.5	111.3	0	0	0	114.1	H85 E134 V165 K166 L167	H85-N87 VanDerWaalsContact C-N 3.26Å; H85-N87 PolarHBondContact CE1-OD1 2.82Å; H85-N87 VanDerWaalsContact CE1-OD1 3.24Å; H85-N87 PolarHBondContact ND1-N 3.18Å; H85-N87 PolarHBondContact O-N 2.84Å; N87-E134 VanDerWaalsContact CB-O 3.24Å; N87-E134 WeakPolarHBondContact CB-O 3.44Å; N87-E134 PolarHBondContact ND2-OE1 2.93Å; N87-E134 PolarHBondContact ND2-OE2 3.4Å; N87-E134 VanDerWaalsContact ND2-OE2 3.08Å; N87-E134 PolarHBondContact OD1-O 3.13Å; N87-V165 WeakPolarHBondContact CA-O 3.47Å; N87-V165 WeakPolarHBondContact CB-O 3.49Å; N87-V165 PolarHBondContact ND2-O 3.13Å; N87-K166 WeakPolarHBondContact O-CA 3.32Å; N87-L167 PolarHBondContact O-N 3.33Å
88	I	97.3	Very high	93.9	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-126.3	145.4	172	-64.5	179	0	0	0	106.9	L80 L83 H85 K86 E90 Y141 I142 K166 F170	L80-I88 HydrophobicContact CD1-CG2 4.2Å; L83-I88 HydrophobicContact CB-CD1 4.25Å; L83-I88 HydrophobicContact CB-CG2 4.1Å; L83-I88 HydrophobicContact CD1-CD1 4.17Å; L83-I88 HydrophobicContact CD1-CG2 3.91Å; H85-I88 HydrophobicContact CB-CD1 4Å; H85-I88 HydrophobicContact CB-CG1 4.23Å; H85-I88 PolarHBondContact O-N 3.33Å; H85-I88 VanDerWaalsContact O-N 3.15Å; K86-I88 VanDerWaalsContact C-N 3.3Å; K86-I88 PolarHBondContact O-N 3.18Å; I88-E90 PolarHBondContact O-N 3.02Å; I88-Y141 HydrophobicContact CD1-CD1 3.59Å; I88-Y141 HydrophobicContact CD1-CE1 3.97Å; I88-I142 HydrophobicContact CD1-CD1 3.95Å; I88-I142 HydrophobicContact CD1-CG1 3.76Å; I88-K166 PolarHBondContact O-NZ 2.82Å; I88-F170 HydrophobicContact CG2-CE2 3.91Å; I88-F170 HydrophobicContact CG2-CZ 3.78Å
89	V	96	Very high	93.8	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.03	25%	0.245	C	C	.	.			trans	-66.7	128.1	175.4	73.5	0	0	0	0	110.2	L80 F91 M105 E106 L167 A168 F170	L80-V89 HydrophobicContact CD1-CG1 4.19Å; L80-V89 WeakPolarHBondContact CD1-O 3.48Å; L80-V89 HydrophobicContact CD2-CG1 4.35Å; V89-F91 PolarHBondContact O-N 3.32Å; V89-M105 HydrophobicContact CG1-SD 4.08Å; V89-M105 HydrophobicContact CG2-CB 4.09Å; V89-E106 WeakPolarHBondContact CA-OE1 3.45Å; V89-E106 HydrophobicContact CG2-CG 3.7Å; V89-L167 PolarHBondContact N-O 3.48Å; V89-A168 HydrophobicContact CB-CB 4.23Å; V89-A168 HydrophobicContact CG1-CB 3.88Å; V89-F170 HydrophobicContact CG1-CE2 4.31Å
90	E	95.7	Very high	93.8	Very high	107 Å²	107	55 Å²	55	50%	0.5	25%	0.252	S	S	.	.			trans	-70.9	126.6	-174.6	-178.9	176.7	-128	0	0	111.5	I88 K92 M105 E106	I88-E90 PolarHBondContact O-N 3.02Å; E90-K92 HydrophobicContact CG-CG 4.33Å; E90-K92 PolarHBondContact O-N 3.06Å; E90-K92 WeakPolarHBondContact OE2-CE 3.44Å; E90-M105 WeakPolarHBondContact O-CA 3.2Å; E90-M105 WeakPolarHBondContact O-CB 3.49Å; E90-E106 HydrophobicContact CB-CB 4.2Å; E90-E106 HydrophobicContact CB-CG 4.12Å; E90-E106 WeakPolarHBondContact CB-OE1 3.48Å; E90-E106 PolarHBondContact N-OE1 2.91Å; E90-E106 PolarHBondContact O-N 2.87Å
91	F	95.5	Very high	93.9	Very high	38 Å²	38	54.9 Å²	54.9	17%	0.167	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	114.6	164	-177.9	-88.7	0	0	0	109.9	V77 L80 K81 V89 C94 L103	V77-F91 HydrophobicContact CG1-CE2 4.14Å; L80-F91 HydrophobicContact CG-CB 4.21Å; L80-F91 HydrophobicContact CG-CD2 4.4Å; K81-F91 HydrophobicContact CB-CD1 4.22Å; K81-F91 HydrophobicContact CB-CD2 4.04Å; K81-F91 HydrophobicContact CB-CE1 4.27Å; K81-F91 HydrophobicContact CB-CE2 4.08Å; K81-F91 HydrophobicContact CB-CG 4.12Å; K81-F91 HydrophobicContact CB-CZ 4.2Å; K81-F91 HydrophobicContact CD-CE1 3.9Å; K81-F91 HydrophobicContact CD-CZ 3.9Å; K81-F91 HydrophobicContact CG-CD1 4.01Å; K81-F91 HydrophobicContact CG-CE1 3.87Å; K81-F91 HydrophobicContact CG-CG 4.41Å; K81-F91 HydrophobicContact CG-CZ 4.14Å; V89-F91 PolarHBondContact O-N 3.32Å; F91-C94 HydrophobicContact CE2-CB 4.01Å; F91-C94 HydrophobicContact CZ-CB 3.86Å; F91-L103 HydrophobicContact CD2-CD1 3.72Å; F91-L103 HydrophobicContact CE2-CD1 3.55Å
92	K	93.9	Very high	94	Very high	60 Å²	60	51.3 Å²	51.3	26%	0.261	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-54.2	173.1	-67.7	-164.9	168.7	-168.4	0	111.6	E52 V54 E90 A104	E52-K92 IonicContact OE1-NZ 3.84Å; E52-K92 PolarHBondContact OE1-NZ 2.96Å; E52-K92 VanDerWaalsContact OE1-NZ 3.16Å; E52-K92 IonicContact OE2-NZ 2.74Å; E52-K92 PolarHBondContact OE2-NZ 2.89Å; V54-K92 HydrophobicContact CG1-CD 4.06Å; E90-K92 HydrophobicContact CG-CG 4.33Å; E90-K92 PolarHBondContact O-N 3.06Å; E90-K92 WeakPolarHBondContact OE2-CE 3.44Å; K92-A104 PolarHBondContact N-O 3.04Å
93	S	93.6	Very high	94.2	Very high	19 Å²	19	47 Å²	47	13%	0.133	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	168.1	179.7	44.8	0	0	0	0	112.2	F95 A104	S93-F95 WeakPolarHBondContact OG-CE2 3.32Å; S93-F95 WeakPolarHBondContact OG-CZ 3.45Å; S93-A104 PolarHBondContact N-O 3.02Å; S93-A104 VanDerWaalsContact N-O 3.08Å; S93-A104 WeakPolarHBondContact O-CA 3.3Å; S93-A104 PolarHBondContact O-N 3.44Å; S93-A104 VanDerWaalsContact O-O 3.1Å
94	C	94.6	Very high	94.2	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.014	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140.7	175.2	-168.8	0	0	0	0	109.5	F19 S20 V77 F91 C101 W102 L103	F19-C94 CarbonylContact C-O 3.59Å; F19-C94 VanDerWaalsContact CA-O 3.31Å; F19-C94 WeakPolarHBondContact CA-O 3.3Å; F19-C94 HydrophobicContact CD1-CB 4.28Å; F19-C94 VanDerWaalsContact CD1-SG 3.57Å; F19-C94 VanDerWaalsContact CE1-SG 3.51Å; S20-C94 PolarHBondContact N-O 3.14Å; V77-C94 HydrophobicContact CG1-CB 4.11Å; F91-C94 HydrophobicContact CE2-CB 4.01Å; F91-C94 HydrophobicContact CZ-CB 3.86Å; C94-C101 PolarHBondContact SG-SG 3.26Å; C94-W102 CarbonylContact C-O 3.52Å; C94-W102 WeakPolarHBondContact CA-O 3.26Å; C94-L103 HydrophobicContact CB-CD1 4.36Å
95	F	94.5	Very high	94.3	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	156.5	-175.7	-47.5	-102.4	0	0	0	109.5	E22 P24 F28 S93 C101 W102 A104	E22-F95 HydrophobicContact CB-CD1 4.4Å; E22-F95 HydrophobicContact CB-CE1 4.11Å; E22-F95 WeakPolarHBondContact O-CD1 3.47Å; P24-F95 HydrophobicContact CB-CB 3.98Å; P24-F95 HydrophobicContact CB-CD1 4.32Å; P24-F95 HydrophobicContact CB-CD2 4.23Å; P24-F95 HydrophobicContact CB-CG 3.93Å; P24-F95 HydrophobicContact CG-CB 3.9Å; P24-F95 HydrophobicContact CG-CG 4.37Å; F28-F95 AromaticContact CE2-CD2 3.99Å; F28-F95 HydrophobicContact CE2-CD2 3.99Å; F28-F95 AromaticContact CE2-CE2 3.48Å; F28-F95 HydrophobicContact CE2-CE2 3.48Å; F28-F95 VanDerWaalsContact CE2-CE2 3.48Å; F28-F95 AromaticContact CE2-CZ 3.89Å; F28-F95 HydrophobicContact CE2-CZ 3.89Å; F28-F95 HydrophobicContact CZ-CD2 4.49Å; F28-F95 AromaticContact CZ-CE2 3.59Å; F28-F95 HydrophobicContact CZ-CE2 3.59Å; F28-F95 AromaticContact CZ-CZ 3.88Å; F28-F95 HydrophobicContact CZ-CZ 3.88Å; S93-F95 WeakPolarHBondContact OG-CE2 3.32Å; S93-F95 WeakPolarHBondContact OG-CZ 3.45Å; F95-C101 WeakPolarHBondContact O-CA 3.4Å; F95-W102 HydrophobicContact CB-CB 4.31Å; F95-W102 HydrophobicContact CD2-CB 4.44Å; F95-W102 PolarHBondContact N-O 2.94Å; F95-W102 PolarHBondContact O-N 2.93Å; F95-A104 HydrophobicContact CE2-CB 4.23Å
96	N	91.9	Very high	94.2	Very high	39 Å²	39	35.3 Å²	35.3	21%	0.209	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	114.5	178.5	-169.2	33.7	0	0	0	110.9	L10 F19 Y61	L10-N96 HydrophobicContact CD1-CB 4.42Å; F19-N96 HydrophobicContact CD1-CB 3.9Å; F19-N96 HydrophobicContact CE1-CB 4.25Å; F19-N96 HydrophobicContact CG-CB 4.33Å; Y61-N96 VanDerWaalsContact CE1-OD1 3.28Å; Y61-N96 WeakPolarHBondContact CE1-OD1 3.48Å; Y61-N96 PolarHBondContact OH-ND2 3.04Å; Y61-N96 VanDerWaalsContact OH-ND2 3.08Å; Y61-N96 PolarHBondContact OH-OD1 3.16Å; Y61-N96 VanDerWaalsContact OH-OD1 3.12Å
97	K	89.4	Confident	94.1	Very high	43 Å²	43	31.4 Å²	31.4	19%	0.187	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	134.4	-179.1	-177.8	169.8	-173.6	179.1	0	109.9	D23 P24 E25 H99 T100	D23-K97 VanDerWaalsContact CG-NZ 3.27Å; D23-K97 WeakPolarHBondContact OD1-CD 3.42Å; D23-K97 IonicContact OD1-NZ 2.67Å; D23-K97 PolarHBondContact OD1-NZ 3.24Å; D23-K97 IonicContact OD2-NZ 2.75Å; D23-K97 PolarHBondContact OD2-NZ 2.83Å; P24-K97 HydrophobicContact CG-CB 4.26Å; P24-K97 HydrophobicContact CG-CD 4.43Å; E25-K97 IonicContact OE2-NZ 2.62Å; E25-K97 PolarHBondContact OE2-NZ 2.93Å; K97-H99 PolarHBondContact O-N 2.94Å; K97-T100 PolarHBondContact N-O 3.26Å; K97-T100 CarbonylContact O-C 3.55Å; K97-T100 WeakPolarHBondContact O-CA 3.49Å; K97-T100 WeakPolarHBondContact O-CB 3.22Å; K97-T100 PolarHBondContact O-N 3.44Å
98	D	88.2	Confident	94	Very high	128 Å²	128	31.8 Å²	31.8	68%	0.684	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	45	58.7	169.8	-54.2	-35.9	0	0	0	114.7	T100	D98-T100 PolarHBondContact O-N 2.78Å; D98-T100 VanDerWaalsContact O-N 3.11Å; D98-T100 PolarHBondContact O-OG1 2.77Å
99	H	90.5	Very high	93.8	Very high	110 Å²	110	32 Å²	32	51%	0.509	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	25.4	-177.4	-64.8	-77.9	0	0	0	115.1	S60 Y61 K97	S60-H99 WeakPolarHBondContact CA-O 3.48Å; S60-H99 PolarHBondContact OG-O 3.32Å; Y61-H99 WeakPolarHBondContact CD1-O 3.25Å; Y61-H99 WeakPolarHBondContact CE1-O 3.42Å; Y61-H99 HydrophobicContact CE2-CB 4.3Å; Y61-H99 AromaticContact CE2-ND1 3.46Å; Y61-H99 WeakPolarHBondContact CE2-ND1 3.31Å; Y61-H99 PolarHBondContact N-O 3.01Å; K97-H99 PolarHBondContact O-N 2.94Å
100	T	92.5	Very high	93.7	Very high	29 Å²	29	32.2 Å²	32.2	18%	0.178	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	119.1	-177.7	-53.9	0	0	0	0	110.6	K58 M59 K97 D98	K58-T100 HydrophobicContact CB-CG2 4.08Å; M59-T100 WeakPolarHBondContact O-CA 3.46Å; K97-T100 PolarHBondContact N-O 3.26Å; K97-T100 CarbonylContact O-C 3.55Å; K97-T100 WeakPolarHBondContact O-CA 3.49Å; K97-T100 WeakPolarHBondContact O-CB 3.22Å; K97-T100 PolarHBondContact O-N 3.44Å; D98-T100 PolarHBondContact O-N 2.78Å; D98-T100 VanDerWaalsContact O-N 3.11Å; D98-T100 PolarHBondContact O-OG1 2.77Å
101	C	93.8	Very high	93.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	132.5	169.2	170.4	0	0	0	0	109.3	K58 M59 I73 C94 F95	K58-C101 CarbonylContact C-O 3.54Å; K58-C101 WeakPolarHBondContact CA-O 3.28Å; M59-C101 HydrophobicContact CB-CB 4.42Å; M59-C101 PolarHBondContact N-O 2.97Å; M59-C101 PolarHBondContact O-N 2.68Å; I73-C101 HydrophobicContact CD1-CB 4.24Å; I73-C101 HydrophobicContact CG2-CB 3.58Å; I73-C101 VanDerWaalsContact CG2-SG 3.54Å; C94-C101 PolarHBondContact SG-SG 3.26Å; F95-C101 WeakPolarHBondContact O-CA 3.4Å
102	W	95.4	Very high	93.7	Very high	9 Å²	9	25.7 Å²	25.7	3%	0.034	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	103.5	172.9	-66.6	50.5	0	0	0	107.8	P24 E25 F28 L31 I56 K58 C94 F95	P24-W102 HydrophobicContact CB-CB 4.47Å; P24-W102 HydrophobicContact CB-CD2 3.81Å; P24-W102 HydrophobicContact CB-CE3 3.6Å; P24-W102 HydrophobicContact CB-CG 4.23Å; P24-W102 HydrophobicContact CB-CH2 4.48Å; P24-W102 HydrophobicContact CB-CZ3 3.97Å; P24-W102 HydrophobicContact CG-CD2 3.82Å; P24-W102 HydrophobicContact CG-CE3 4.11Å; P24-W102 HydrophobicContact CG-CG 4.06Å; P24-W102 HydrophobicContact CG-CZ2 4.33Å; P24-W102 HydrophobicContact CG-CZ3 4.48Å; E25-W102 HydrophobicContact CG-CH2 3.49Å; E25-W102 VanDerWaalsContact CG-CH2 3.49Å; E25-W102 HydrophobicContact CG-CZ2 3.7Å; F28-W102 HydrophobicContact CD2-CE3 4.34Å; F28-W102 HydrophobicContact CD2-CZ3 4.39Å; L31-W102 HydrophobicContact CD2-CH2 3.89Å; L31-W102 HydrophobicContact CD2-CZ3 3.76Å; I56-W102 HydrophobicContact CD1-CE3 4.22Å; I56-W102 HydrophobicContact CD1-CZ3 4.41Å; I56-W102 HydrophobicContact CG2-CB 4.04Å; I56-W102 HydrophobicContact CG2-CD2 4.23Å; I56-W102 HydrophobicContact CG2-CE3 3.69Å; I56-W102 HydrophobicContact CG2-CG 4.39Å; K58-W102 HydrophobicContact CD-CD2 4.11Å; K58-W102 HydrophobicContact CD-CE3 4.5Å; K58-W102 HydrophobicContact CD-CZ2 4.14Å; K58-W102 VanDerWaalsContact CE-CH2 3.45Å; K58-W102 VanDerWaalsContact CE-CZ2 3.48Å; K58-W102 HydrophobicContact CG-CD2 4.07Å; K58-W102 HydrophobicContact CG-CE3 4.5Å; K58-W102 HydrophobicContact CG-CG 4.2Å; C94-W102 CarbonylContact C-O 3.52Å; C94-W102 WeakPolarHBondContact CA-O 3.26Å; F95-W102 HydrophobicContact CB-CB 4.31Å; F95-W102 HydrophobicContact CD2-CB 4.44Å; F95-W102 PolarHBondContact N-O 2.94Å; F95-W102 PolarHBondContact O-N 2.93Å
103	L	94.9	Very high	93.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	109.5	176.2	171.6	57	0	0	0	109.5	I56 K57 M59 V77 L80 F91 C94 M105	I56-L103 CarbonylContact C-O 3.57Å; I56-L103 WeakPolarHBondContact CA-O 3.47Å; K57-L103 HydrophobicContact CB-CB 4.32Å; K57-L103 PolarHBondContact N-O 2.84Å; K57-L103 PolarHBondContact O-N 3.25Å; M59-L103 HydrophobicContact CE-CB 3.85Å; M59-L103 HydrophobicContact CE-CD2 4.05Å; V77-L103 HydrophobicContact CG2-CD1 4.42Å; V77-L103 HydrophobicContact CG2-CD2 4.36Å; L80-L103 HydrophobicContact CD2-CD2 4.2Å; F91-L103 HydrophobicContact CD2-CD1 3.72Å; F91-L103 HydrophobicContact CE2-CD1 3.55Å; C94-L103 HydrophobicContact CB-CD1 4.36Å; L103-M105 HydrophobicContact CD1-CG 4.42Å; L103-M105 HydrophobicContact CD2-SD 4.33Å; L103-M105 HydrophobicContact CG-CG 4.16Å; L103-M105 HydrophobicContact CG-SD 4.25Å
104	A	95.5	Very high	93.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.008	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127	-179.7	0	0	0	0	0	111.3	F28 A55 I56 K92 S93 F95	F28-A104 HydrophobicContact CZ-CB 3.9Å; A55-A104 WeakPolarHBondContact O-CA 3.3Å; I56-A104 HydrophobicContact CG1-CB 4.49Å; K92-A104 PolarHBondContact N-O 3.04Å; S93-A104 PolarHBondContact N-O 3.02Å; S93-A104 VanDerWaalsContact N-O 3.08Å; S93-A104 WeakPolarHBondContact O-CA 3.3Å; S93-A104 PolarHBondContact O-N 3.44Å; S93-A104 VanDerWaalsContact O-O 3.1Å; F95-A104 HydrophobicContact CE2-CB 4.23Å
105	M	95.8	Very high	93.8	Very high	16 Å²	16	25.2 Å²	25.2	8%	0.079	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	169.7	-174.7	-59.9	171.6	-68.7	0	0	110	V54 A55 K57 L80 V89 E90 L103	V54-M105 WeakPolarHBondContact CA-O 3.5Å; V54-M105 WeakPolarHBondContact CB-O 3.47Å; A55-M105 HydrophobicContact CB-CE 4.46Å; A55-M105 PolarHBondContact N-O 3.37Å; A55-M105 PolarHBondContact O-N 3.44Å; K57-M105 HydrophobicContact CB-CE 3.89Å; L80-M105 HydrophobicContact CD2-CG 4.19Å; L80-M105 HydrophobicContact CD2-SD 3.81Å; V89-M105 HydrophobicContact CG1-SD 4.08Å; V89-M105 HydrophobicContact CG2-CB 4.09Å; E90-M105 WeakPolarHBondContact O-CA 3.2Å; E90-M105 WeakPolarHBondContact O-CB 3.49Å; L103-M105 HydrophobicContact CD1-CG 4.42Å; L103-M105 HydrophobicContact CD2-SD 4.33Å; L103-M105 HydrophobicContact CG-CG 4.16Å; L103-M105 HydrophobicContact CG-SD 4.25Å
106	E	94.9	Very high	93.8	Very high	29 Å²	29	25.6 Å²	25.6	14%	0.136	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	150.8	165.3	71	-176.6	120.4	0	0	111.7	A55 V89 E90 K166	A55-E106 WeakPolarHBondContact CB-O 3.48Å; V89-E106 WeakPolarHBondContact CA-OE1 3.45Å; V89-E106 HydrophobicContact CG2-CG 3.7Å; E90-E106 HydrophobicContact CB-CB 4.2Å; E90-E106 HydrophobicContact CB-CG 4.12Å; E90-E106 WeakPolarHBondContact CB-OE1 3.48Å; E90-E106 PolarHBondContact N-OE1 2.91Å; E90-E106 PolarHBondContact O-N 2.87Å; E106-K166 VanDerWaalsContact CD-CE 3.42Å; E106-K166 VanDerWaalsContact CD-NZ 3.33Å; E106-K166 VanDerWaalsContact OE1-CD 3.27Å; E106-K166 WeakPolarHBondContact OE1-CD 3.42Å; E106-K166 WeakPolarHBondContact OE1-CE 3.49Å; E106-K166 IonicContact OE1-NZ 2.75Å; E106-K166 PolarHBondContact OE1-NZ 3.35Å; E106-K166 WeakPolarHBondContact OE2-CD 3.41Å; E106-K166 WeakPolarHBondContact OE2-CE 3.02Å; E106-K166 IonicContact OE2-NZ 3.12Å; E106-K166 PolarHBondContact OE2-NZ 2.87Å
107	Y	95.3	Very high	93.8	Very high	19 Å²	19	27 Å²	27	8%	0.075	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-89.8	124.4	175	-179.9	-100.7	0	0	0	111.8	I34 F44 A55 V109 K314 L318	I34-Y107 HydrophobicContact CD1-CD2 4.23Å; I34-Y107 HydrophobicContact CD1-CE2 3.74Å; F44-Y107 HydrophobicContact CB-CD2 4.45Å; F44-Y107 HydrophobicContact CB-CE2 4.12Å; F44-Y107 HydrophobicContact CD2-CD1 4.15Å; F44-Y107 AromaticContact CD2-CD2 3.69Å; F44-Y107 HydrophobicContact CD2-CD2 3.69Å; F44-Y107 HydrophobicContact CD2-CE1 4.06Å; F44-Y107 AromaticContact CD2-CE2 3.61Å; F44-Y107 HydrophobicContact CD2-CE2 3.61Å; F44-Y107 AromaticContact CD2-CG 3.96Å; F44-Y107 HydrophobicContact CD2-CG 3.96Å; F44-Y107 AromaticContact CD2-CZ 3.8Å; F44-Y107 HydrophobicContact CE2-CD1 4.25Å; F44-Y107 HydrophobicContact CE2-CE1 4.3Å; F44-Y107 HydrophobicContact CE2-CG 4.35Å; F44-Y107 HydrophobicContact CG-CE2 4.37Å; A55-Y107 HydrophobicContact CB-CD2 4.33Å; Y107-V109 PolarHBondContact OH-O 3.08Å; Y107-K314 PolarHBondContact OH-O 3.08Å; Y107-L318 HydrophobicContact CD1-CD1 3.94Å; Y107-L318 HydrophobicContact CD1-CD2 3.88Å; Y107-L318 HydrophobicContact CD1-CG 3.85Å; Y107-L318 HydrophobicContact CE1-CD1 3.99Å; Y107-L318 HydrophobicContact CE1-CD2 4.24Å; Y107-L318 HydrophobicContact CE1-CG 3.76Å
108	C	95.2	Very high	93.9	Very high	8 Å²	8	25.4 Å²	25.4	5%	0.054	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-103.4	144.9	168.3	-67.3	0	0	0	0	110	G110 L158 L159	C108-G110 VanDerWaalsContact C-N 3.31Å; C108-G110 PolarHBondContact O-N 2.98Å; C108-L158 HydrophobicContact CB-CB 3.67Å; C108-L158 HydrophobicContact CB-CD1 4.09Å; C108-L158 HydrophobicContact CB-CG 4.45Å; C108-L159 CarbonylContact C-O 3.46Å; C108-L159 WeakPolarHBondContact CB-O 3.29Å
109	V	93.2	Very high	94	Very high	9 Å²	9	20.8 Å²	20.8	6%	0.055	11%	0.11	C	C	.	.	S	Bend	trans	-58.4	-43.1	-176.2	-179.4	0	0	0	0	111.4	Y107 L159 D161 L315 L318	Y107-V109 PolarHBondContact OH-O 3.08Å; V109-L159 PolarHBondContact N-O 2.65Å; V109-D161 HydrophobicContact CG2-CB 3.74Å; V109-D161 WeakPolarHBondContact CG2-OD1 3.49Å; V109-L315 HydrophobicContact CG1-CB 4.25Å; V109-L315 HydrophobicContact CG1-CD2 3.94Å; V109-L315 WeakPolarHBondContact CG1-O 3.31Å; V109-L315 WeakPolarHBondContact O-CD2 3.41Å; V109-L318 HydrophobicContact CG2-CD1 4.11Å
110	G	93.4	Very high	93.9	Very high	9 Å²	9	21.8 Å²	21.8	9%	0.093	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	-177	176.8	0	0	0	0	0	112.7	C108 L158 L159	C108-G110 VanDerWaalsContact C-N 3.31Å; C108-G110 PolarHBondContact O-N 2.98Å; G110-L158 WeakPolarHBondContact O-CA 3.4Å; G110-L159 PolarHBondContact O-N 3.15Å
111	S	95.6	Very high	93.8	Very high	9 Å²	9	27.4 Å²	27.4	6%	0.063	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	162.2	173.3	69.2	0	0	0	0	112.2	S113 D114 I115 G155 I157	S111-S113 PolarHBondContact O-N 3.29Å; S111-S113 PolarHBondContact OG-N 3.32Å; S111-D114 WeakPolarHBondContact CB-OD2 3.43Å; S111-D114 PolarHBondContact N-OD2 3.38Å; S111-D114 WeakPolarHBondContact O-CB 3.4Å; S111-D114 PolarHBondContact O-N 3.35Å; S111-D114 VanDerWaalsContact O-N 3.12Å; S111-D114 PolarHBondContact OG-N 3.23Å; S111-D114 VanDerWaalsContact OG-N 3.1Å; S111-D114 PolarHBondContact OG-OD2 3.31Å; S111-I115 PolarHBondContact O-N 2.78Å; S111-G155 WeakPolarHBondContact CB-O 3.34Å; S111-I157 CarbonylContact C-O 3.56Å; S111-I157 VanDerWaalsContact CA-O 3.28Å; S111-I157 WeakPolarHBondContact CA-O 3.42Å
112	A	96.4	Very high	93.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-29.3	171.7	0	0	0	0	0	112	I115 L116 M131 A154 I157 L159 L218	A112-I115 PolarHBondContact O-N 3.32Å; A112-L116 PolarHBondContact O-N 2.63Å; A112-L116 VanDerWaalsContact O-N 3.13Å; A112-M131 HydrophobicContact CB-CE 3.37Å; A112-A154 HydrophobicContact CB-CB 3.96Å; A112-A154 WeakPolarHBondContact CB-O 3.49Å; A112-A154 PolarHBondContact N-O 3.46Å; A112-A154 VanDerWaalsContact N-O 3.12Å; A112-I157 HydrophobicContact CB-CB 4.23Å; A112-I157 HydrophobicContact CB-CG2 4.27Å; A112-I157 PolarHBondContact N-O 2.82Å; A112-L159 HydrophobicContact CB-CD1 4.19Å; A112-L218 HydrophobicContact CB-CD2 3.89Å
113	S	95	Very high	93.6	Very high	47 Å²	47	29.8 Å²	29.8	33%	0.329	15%	0.147	S	C	.	.	H	α-helix	trans	-67.6	-38.3	173.1	-155.8	0	0	0	0	112.6	S111 I115 L116 E117 A154	S111-S113 PolarHBondContact O-N 3.29Å; S111-S113 PolarHBondContact OG-N 3.32Å; S113-I115 VanDerWaalsContact C-N 3.3Å; S113-I115 PolarHBondContact O-N 3.06Å; S113-L116 PolarHBondContact O-N 2.98Å; S113-E117 PolarHBondContact O-N 3.03Å; S113-A154 PolarHBondContact N-O 3.47Å
114	D	93.9	Very high	93.5	Very high	19 Å²	19	37 Å²	37	10%	0.102	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-38.8	174	-62.8	-61.8	0	0	0	111.2	S111 E117 V118 M312 K314 L315	S111-D114 WeakPolarHBondContact CB-OD2 3.43Å; S111-D114 PolarHBondContact N-OD2 3.38Å; S111-D114 WeakPolarHBondContact O-CB 3.4Å; S111-D114 PolarHBondContact O-N 3.35Å; S111-D114 VanDerWaalsContact O-N 3.12Å; S111-D114 PolarHBondContact OG-N 3.23Å; S111-D114 VanDerWaalsContact OG-N 3.1Å; S111-D114 PolarHBondContact OG-OD2 3.31Å; D114-E117 PolarHBondContact O-N 2.98Å; D114-V118 WeakPolarHBondContact O-CG2 3.3Å; D114-V118 PolarHBondContact O-N 3.13Å; D114-M312 HydrophobicContact CB-SD 4.48Å; D114-K314 WeakPolarHBondContact OD1-CE 3.4Å; D114-K314 IonicContact OD1-NZ 2.83Å; D114-K314 PolarHBondContact OD1-NZ 3.15Å; D114-K314 IonicContact OD2-NZ 3.9Å; D114-K314 PolarHBondContact OD2-NZ 3.16Å; D114-L315 HydrophobicContact CB-CD2 4.42Å
115	I	94.5	Very high	93.5	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-63.7	-44.5	175.5	-59.6	-178.1	0	0	0	110.8	S111 A112 S113 E117 V118 H119 L123 L159 L293 T297	S111-I115 PolarHBondContact O-N 2.78Å; A112-I115 PolarHBondContact O-N 3.32Å; S113-I115 VanDerWaalsContact C-N 3.3Å; S113-I115 PolarHBondContact O-N 3.06Å; I115-E117 VanDerWaalsContact C-N 3.28Å; I115-E117 PolarHBondContact O-N 3.37Å; I115-V118 PolarHBondContact O-N 2.96Å; I115-H119 PolarHBondContact O-CD2 3.44Å; I115-H119 VanDerWaalsContact O-CD2 3.25Å; I115-H119 PolarHBondContact O-N 3.29Å; I115-L123 HydrophobicContact CG2-CD2 3.91Å; I115-L159 HydrophobicContact CD1-CD1 3.75Å; I115-L159 HydrophobicContact CD1-CD2 3.67Å; I115-L159 HydrophobicContact CD1-CG 4.28Å; I115-L293 HydrophobicContact CD1-CD2 4.45Å; I115-L293 HydrophobicContact CG2-CD1 4.04Å; I115-L293 HydrophobicContact CG2-CD2 4.34Å; I115-L293 HydrophobicContact CG2-CG 4.25Å; I115-T297 HydrophobicContact CG1-CG2 4.26Å; I115-T297 HydrophobicContact CG2-CG2 4.4Å
116	L	93.6	Very high	93.5	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-38.1	175.2	-70.9	171.2	0	0	0	112.5	A112 S113 R120 L123 A154 E217 L218 K221	A112-L116 PolarHBondContact O-N 2.63Å; A112-L116 VanDerWaalsContact O-N 3.13Å; S113-L116 PolarHBondContact O-N 2.98Å; L116-R120 WeakPolarHBondContact O-CA 3.47Å; L116-R120 PolarHBondContact O-N 3.36Å; L116-L123 HydrophobicContact CD2-CG 4.1Å; L116-A154 HydrophobicContact CD1-CB 4.45Å; L116-E217 HydrophobicContact CD1-CG 4.3Å; L116-L218 HydrophobicContact CD1-CD2 4.1Å; L116-L218 HydrophobicContact CG-CD2 4.4Å; L116-K221 HydrophobicContact CD2-CG 4.25Å
117	E	91.9	Very high	93.5	Very high	68 Å²	68	40.6 Å²	40.6	32%	0.318	19%	0.191	S	C	.	.	H	α-helix	trans	-69	-40.4	177.5	-172	168.4	-159.6	0	0	112.5	S113 D114 I115 R120 K311 M312	S113-E117 PolarHBondContact O-N 3.03Å; D114-E117 PolarHBondContact O-N 2.98Å; I115-E117 VanDerWaalsContact C-N 3.28Å; I115-E117 PolarHBondContact O-N 3.37Å; E117-R120 WeakPolarHBondContact O-CG 3.43Å; E117-K311 IonicContact OE1-NZ 3.52Å; E117-K311 PolarHBondContact OE1-NZ 2.93Å; E117-K311 IonicContact OE2-NZ 3.26Å; E117-K311 PolarHBondContact OE2-NZ 2.74Å; E117-M312 HydrophobicContact CG-CE 4.43Å; E117-M312 WeakPolarHBondContact OE2-CE 3.47Å
118	V	92.8	Very high	93.6	Very high	11 Å²	11	39.7 Å²	39.7	7%	0.067	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-52.9	175.8	171.7	0	0	0	0	111.7	D114 I115 R120 T297 L300 V301 M312 L315	D114-V118 WeakPolarHBondContact O-CG2 3.3Å; D114-V118 PolarHBondContact O-N 3.13Å; I115-V118 PolarHBondContact O-N 2.96Å; V118-R120 VanDerWaalsContact C-N 3.28Å; V118-R120 PolarHBondContact O-N 2.99Å; V118-T297 HydrophobicContact CB-CG2 3.98Å; V118-T297 HydrophobicContact CG1-CG2 3.84Å; V118-T297 HydrophobicContact CG2-CG2 4.16Å; V118-L300 HydrophobicContact CG1-CB 3.76Å; V118-V301 HydrophobicContact CG1-CG2 3.98Å; V118-V301 HydrophobicContact CG2-CG2 3.74Å; V118-M312 HydrophobicContact CG2-CB 4.31Å; V118-M312 HydrophobicContact CG2-CG 3.84Å; V118-M312 HydrophobicContact CG2-SD 3.65Å; V118-L315 HydrophobicContact CG2-CD1 3.64Å
119	H	90.6	Very high	93.7	Very high	30 Å²	30	39.5 Å²	39.5	14%	0.139	19%	0.187	C	C	.	.	H	α-helix	trans	-72.9	-23.4	-175	-73.3	-108.6	0	0	0	112.6	I115 K121 T297	I115-H119 PolarHBondContact O-CD2 3.44Å; I115-H119 VanDerWaalsContact O-CD2 3.25Å; I115-H119 PolarHBondContact O-N 3.29Å; H119-K121 PolarHBondContact O-N 3.49Å; H119-T297 PolarHBondContact NE2-OG1 2.91Å
120	R	88	Confident	93.8	Very high	131 Å²	131	39.4 Å²	39.4	49%	0.494	19%	0.186	S	C	.	.			trans	54.5	11	-175	-57.9	-179.5	177.6	167.2	0.6	114.4	L116 E117 V118 K221 Q308	L116-R120 WeakPolarHBondContact O-CA 3.47Å; L116-R120 PolarHBondContact O-N 3.36Å; E117-R120 WeakPolarHBondContact O-CG 3.43Å; V118-R120 VanDerWaalsContact C-N 3.28Å; V118-R120 PolarHBondContact O-N 2.99Å; R120-K221 VanDerWaalsContact O-CD 3.27Å; R120-K221 WeakPolarHBondContact O-CD 3.43Å; R120-K221 PolarHBondContact O-NZ 3.4Å; R120-Q308 VanDerWaalsContact NH2-CG 3.35Å
121	K	89.2	Confident	94	Very high	147 Å²	147	39 Å²	39	64%	0.639	18%	0.182	S	C	*	.	S	Bend	trans	-127.7	155.9	-177.9	-68.8	174.5	-178	176.8	0	109	H119	H119-K121 PolarHBondContact O-N 3.49Å
122	P	90.6	Very high	94.1	Very high	55 Å²	55	38.7 Å²	38.7	36%	0.357	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-52.5	152.6	165.6	-27.8	37.9	0	0	0	112.5	A219 W250	P122-A219 WeakPolarHBondContact CB-O 3.24Å; P122-A219 WeakPolarHBondContact CG-O 3.44Å; P122-W250 HydrophobicContact CB-CH2 4.18Å; P122-W250 HydrophobicContact CB-CZ2 4.34Å
123	L	94.3	Very high	94.1	Very high	4 Å²	4	41 Å²	41	2%	0.021	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-72.8	160.1	166.3	-61.6	-173.4	0	0	0	110.5	I115 L116 E127 I128 M131 L218 L293	I115-L123 HydrophobicContact CG2-CD2 3.91Å; L116-L123 HydrophobicContact CD2-CG 4.1Å; L123-E127 HydrophobicContact CB-CB 4.34Å; L123-I128 HydrophobicContact CB-CD1 4.29Å; L123-I128 HydrophobicContact CB-CG1 3.76Å; L123-M131 HydrophobicContact CD1-SD 3.8Å; L123-L218 HydrophobicContact CD1-CD2 3.91Å; L123-L218 PolarHBondContact N-O 2.62Å; L123-L218 VanDerWaalsContact N-O 3.09Å; L123-L293 HydrophobicContact CD1-CD2 4.08Å; L123-L293 HydrophobicContact CD2-CD1 3.96Å; L123-L293 HydrophobicContact CD2-CD2 4.02Å
124	R	94.5	Very high	94.2	Very high	153 Å²	153	40.2 Å²	40.2	58%	0.577	18%	0.182	S	C	*	.	P	Polyproline II helix	trans	-71.7	147.8	175.1	-59.2	173.3	178.3	170.2	-4.3	109.8	Q126 E127 I128	R124-Q126 PolarHBondContact O-N 3.1Å; R124-Q126 VanDerWaalsContact O-N 3.11Å; R124-E127 HydrophobicContact CB-CB 4.39Å; R124-E127 HydrophobicContact CB-CG 4.04Å; R124-E127 WeakPolarHBondContact CB-OE2 3.29Å; R124-E127 WeakPolarHBondContact CG-OE2 3.41Å; R124-E127 PolarHBondContact N-OE2 2.91Å; R124-E127 WeakPolarHBondContact O-CA 3.3Å; R124-E127 WeakPolarHBondContact O-CB 3.49Å; R124-E127 PolarHBondContact O-N 3.45Å; R124-I128 PolarHBondContact O-N 3.23Å
125	E	95.3	Very high	94.4	Very high	31 Å²	31	39.4 Å²	39.4	15%	0.145	18%	0.177	C	C	.	.	H	α-helix	trans	-50.7	-41.9	-179.7	-173	-179.9	112.2	0	0	113.1	E127 I128 A129 W250 S251 F254 F280 R283	E125-E127 PolarHBondContact O-N 3.21Å; E125-I128 PolarHBondContact O-N 2.76Å; E125-A129 WeakPolarHBondContact O-CB 3.33Å; E125-A129 PolarHBondContact O-N 3.19Å; E125-W250 HydrophobicContact CB-CE3 4.04Å; E125-W250 HydrophobicContact CB-CZ3 4.05Å; E125-W250 HydrophobicContact CG-CE3 4.43Å; E125-S251 WeakPolarHBondContact OE1-CB 3.47Å; E125-S251 PolarHBondContact OE1-OG 3.19Å; E125-S251 PolarHBondContact OE2-N 3.06Å; E125-S251 PolarHBondContact OE2-OG 3.12Å; E125-F254 HydrophobicContact CG-CB 4.29Å; E125-F254 HydrophobicContact CG-CD1 3.94Å; E125-F254 HydrophobicContact CG-CG 4.33Å; E125-F280 HydrophobicContact CG-CE2 3.79Å; E125-R283 IonicContact OE1-NH1 2.82Å; E125-R283 PolarHBondContact OE1-NH1 3.11Å
126	Q	95.1	Very high	94.6	Very high	87 Å²	87	39.1 Å²	39.1	41%	0.407	18%	0.176	S	C	.	.	H	α-helix	trans	-68.9	-30.4	177.6	-65.1	-179.7	-20.9	0	0	113.7	R124 A130 I289	R124-Q126 PolarHBondContact O-N 3.1Å; R124-Q126 VanDerWaalsContact O-N 3.11Å; Q126-A130 WeakPolarHBondContact O-CB 3.26Å; Q126-A130 PolarHBondContact O-N 3.26Å; Q126-I289 HydrophobicContact CB-CD1 3.4Å
127	E	95.8	Very high	94.8	Very high	3 Å²	3	41.2 Å²	41.2	1%	0.014	19%	0.185	C	C	.	.	H	α-helix	trans	-70.9	-46	174.6	-66.6	164.5	167.6	0	0	109.5	L123 R124 E125 A129 A130 M131 I289 L293 R296	L123-E127 HydrophobicContact CB-CB 4.34Å; R124-E127 HydrophobicContact CB-CB 4.39Å; R124-E127 HydrophobicContact CB-CG 4.04Å; R124-E127 WeakPolarHBondContact CB-OE2 3.29Å; R124-E127 WeakPolarHBondContact CG-OE2 3.41Å; R124-E127 PolarHBondContact N-OE2 2.91Å; R124-E127 WeakPolarHBondContact O-CA 3.3Å; R124-E127 WeakPolarHBondContact O-CB 3.49Å; R124-E127 PolarHBondContact O-N 3.45Å; E125-E127 PolarHBondContact O-N 3.21Å; E127-A129 PolarHBondContact O-N 3.46Å; E127-A130 PolarHBondContact O-N 3.31Å; E127-M131 WeakPolarHBondContact O-CG 3.46Å; E127-M131 PolarHBondContact O-N 3.08Å; E127-I289 HydrophobicContact CG-CD1 4.03Å; E127-I289 HydrophobicContact CG-CG1 3.82Å; E127-L293 HydrophobicContact CB-CD2 4.24Å; E127-L293 HydrophobicContact CG-CD2 4.38Å; E127-R296 IonicContact OE1-CZ 2.94Å; E127-R296 IonicContact OE1-NH1 3.85Å; E127-R296 PolarHBondContact OE1-NH1 2.9Å; E127-R296 IonicContact OE1-NH2 3.08Å; E127-R296 PolarHBondContact OE1-NH2 3.44Å; E127-R296 IonicContact OE2-NH1 2.71Å
128	I	96.8	Very high	95	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.5	-47.3	173.5	-57.5	177.3	0	0	0	110.4	L123 R124 E125 A130 M131 C132 C215 L218 A219 W250 F254 F280	L123-I128 HydrophobicContact CB-CD1 4.29Å; L123-I128 HydrophobicContact CB-CG1 3.76Å; R124-I128 PolarHBondContact O-N 3.23Å; E125-I128 PolarHBondContact O-N 2.76Å; I128-A130 VanDerWaalsContact C-N 3.32Å; I128-A130 PolarHBondContact O-N 3.24Å; I128-M131 PolarHBondContact O-N 2.82Å; I128-C132 WeakPolarHBondContact O-CB 3.28Å; I128-C132 PolarHBondContact O-N 3.49Å; I128-C132 PolarHBondContact O-SG 2.98Å; I128-C215 HydrophobicContact CG2-CB 3.99Å; I128-L218 HydrophobicContact CD1-CB 3.98Å; I128-L218 HydrophobicContact CG1-CB 3.88Å; I128-L218 HydrophobicContact CG2-CB 4.29Å; I128-L218 HydrophobicContact CG2-CD1 4.19Å; I128-A219 HydrophobicContact CD1-CB 4.02Å; I128-W250 HydrophobicContact CD1-CH2 4.43Å; I128-F254 HydrophobicContact CD1-CE1 4.06Å; I128-F254 HydrophobicContact CD1-CZ 4.07Å; I128-F254 HydrophobicContact CG2-CE2 4.21Å; I128-F254 HydrophobicContact CG2-CZ 3.89Å; I128-F280 HydrophobicContact CG2-CZ 4.31Å
129	A	96.9	Very high	95.3	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.033	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-36.6	178.6	0	0	0	0	0	112.9	E125 E127 H133 F280	E125-A129 WeakPolarHBondContact O-CB 3.33Å; E125-A129 PolarHBondContact O-N 3.19Å; E127-A129 PolarHBondContact O-N 3.46Å; A129-H133 WeakPolarHBondContact O-CB 3.4Å; A129-H133 PolarHBondContact O-N 3Å; A129-F280 HydrophobicContact CB-CD2 4.31Å; A129-F280 HydrophobicContact CB-CE1 4.03Å; A129-F280 HydrophobicContact CB-CE2 3.79Å; A129-F280 HydrophobicContact CB-CZ 3.64Å
130	A	96.3	Very high	95.6	Very high	6 Å²	6	39.4 Å²	39.4	5%	0.05	18%	0.176	C	C	.	.	H	α-helix	trans	-66.2	-43.4	175.1	0	0	0	0	0	112.1	Q126 E127 I128 E134 I289 V290	Q126-A130 WeakPolarHBondContact O-CB 3.26Å; Q126-A130 PolarHBondContact O-N 3.26Å; E127-A130 PolarHBondContact O-N 3.31Å; I128-A130 VanDerWaalsContact C-N 3.32Å; I128-A130 PolarHBondContact O-N 3.24Å; A130-E134 PolarHBondContact O-N 3.08Å; A130-E134 VanDerWaalsContact O-N 3.15Å; A130-I289 HydrophobicContact CB-CG2 3.66Å; A130-V290 HydrophobicContact CB-CG2 3.78Å
131	M	96.8	Very high	96	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-71.5	-48.5	179.8	-64.4	177	70.5	0	0	111.9	A112 L123 E127 I128 H133 E134 V135 I157 L159 V165 L293	A112-M131 HydrophobicContact CB-CE 3.37Å; L123-M131 HydrophobicContact CD1-SD 3.8Å; E127-M131 WeakPolarHBondContact O-CG 3.46Å; E127-M131 PolarHBondContact O-N 3.08Å; I128-M131 PolarHBondContact O-N 2.82Å; M131-H133 PolarHBondContact O-N 3.13Å; M131-E134 PolarHBondContact O-N 3.21Å; M131-V135 WeakPolarHBondContact O-CB 3.27Å; M131-V135 WeakPolarHBondContact O-CG2 3.4Å; M131-V135 PolarHBondContact O-N 3.33Å; M131-I157 HydrophobicContact CE-CG2 4.19Å; M131-L159 HydrophobicContact CE-CD1 3.96Å; M131-L159 HydrophobicContact CE-CD2 3.96Å; M131-L159 HydrophobicContact CE-CG 4.27Å; M131-L159 HydrophobicContact SD-CD2 4.47Å; M131-V165 HydrophobicContact CG-CG2 4.07Å; M131-L293 HydrophobicContact SD-CD2 4.3Å
132	C	97.1	Very high	96.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-29.1	176.3	-61.5	0	0	0	0	111.1	I128 L136 L211 C215 I281	I128-C132 WeakPolarHBondContact O-CB 3.28Å; I128-C132 PolarHBondContact O-N 3.49Å; I128-C132 PolarHBondContact O-SG 2.98Å; C132-L136 WeakPolarHBondContact O-CB 3.46Å; C132-L136 WeakPolarHBondContact O-CD1 3.34Å; C132-L136 WeakPolarHBondContact O-CG 3.41Å; C132-L136 PolarHBondContact O-N 3.21Å; C132-L211 HydrophobicContact CB-CD1 4.21Å; C132-C215 WeakPolarHBondContact CB-SG 3.38Å; C132-C215 WeakPolarHBondContact SG-CB 3.38Å; C132-C215 CovalentContact SG-SG 2.08Å; C132-C215 PolarHBondContact SG-SG 3.23Å; C132-I281 HydrophobicContact CB-CD1 4.28Å
133	H	97.3	Very high	96.6	Very high	50 Å²	50	27.3 Å²	27.3	23%	0.231	12%	0.121	C	C	.	.	H	α-helix	trans	-65.4	-53.3	169.9	168.8	-87.5	0	0	0	113.9	A129 M131 V135 L136 Q137 I281	A129-H133 WeakPolarHBondContact O-CB 3.4Å; A129-H133 PolarHBondContact O-N 3Å; M131-H133 PolarHBondContact O-N 3.13Å; H133-V135 VanDerWaalsContact C-N 3.28Å; H133-V135 PolarHBondContact O-N 3.49Å; H133-L136 WeakPolarHBondContact O-CB 3.41Å; H133-L136 PolarHBondContact O-N 2.89Å; H133-Q137 PolarHBondContact CE1-NE2 3.07Å; H133-Q137 PolarHBondContact NE2-NE2 3.09Å; H133-Q137 PolarHBondContact O-N 3.49Å; H133-Q137 VanDerWaalsContact O-N 3.15Å; H133-I281 HydrophobicContact CB-CG2 4.02Å
134	E	96.8	Very high	96.7	Very high	29 Å²	29	31.6 Å²	31.6	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-62.6	-37.3	179.3	-76.4	-111.2	95.8	0	0	111.3	K86 N87 A130 M131 Q137 G138 S164 V165	K86-E134 IonicContact NZ-OE1 2.66Å; K86-E134 PolarHBondContact NZ-OE1 3.08Å; N87-E134 VanDerWaalsContact CB-O 3.24Å; N87-E134 WeakPolarHBondContact CB-O 3.44Å; N87-E134 PolarHBondContact ND2-OE1 2.93Å; N87-E134 PolarHBondContact ND2-OE2 3.4Å; N87-E134 VanDerWaalsContact ND2-OE2 3.08Å; N87-E134 PolarHBondContact OD1-O 3.13Å; A130-E134 PolarHBondContact O-N 3.08Å; A130-E134 VanDerWaalsContact O-N 3.15Å; M131-E134 PolarHBondContact O-N 3.21Å; E134-Q137 PolarHBondContact O-N 3.11Å; E134-G138 PolarHBondContact O-N 2.89Å; E134-G138 VanDerWaalsContact O-N 3.12Å; E134-S164 WeakPolarHBondContact OE2-CA 3.29Å; E134-S164 PolarHBondContact OE2-OG 3.33Å; E134-V165 HydrophobicContact CB-CB 3.74Å; E134-V165 HydrophobicContact CB-CG1 4.42Å; E134-V165 HydrophobicContact CB-CG2 4.32Å; E134-V165 HydrophobicContact CG-CB 4.28Å; E134-V165 HydrophobicContact CG-CG2 4.47Å; E134-V165 PolarHBondContact OE2-N 3.1Å
135	V	98.1	Very high	96.7	Very high	2 Å²	2	28 Å²	28	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-43	173.3	165.8	0	0	0	0	112.1	M131 H133 Q137 G138 L139 I157 V165 L167 L211	M131-V135 WeakPolarHBondContact O-CB 3.27Å; M131-V135 WeakPolarHBondContact O-CG2 3.4Å; M131-V135 PolarHBondContact O-N 3.33Å; H133-V135 VanDerWaalsContact C-N 3.28Å; H133-V135 PolarHBondContact O-N 3.49Å; V135-Q137 VanDerWaalsContact C-N 3.29Å; V135-Q137 PolarHBondContact O-N 3.04Å; V135-G138 WeakPolarHBondContact O-CA 3.39Å; V135-G138 PolarHBondContact O-N 2.74Å; V135-G138 VanDerWaalsContact O-N 3.11Å; V135-L139 HydrophobicContact CG1-CD1 4.08Å; V135-L139 HydrophobicContact CG1-CG 4.34Å; V135-L139 PolarHBondContact O-N 2.63Å; V135-I157 HydrophobicContact CG2-CD1 3.86Å; V135-I157 HydrophobicContact CG2-CG1 3.88Å; V135-I157 HydrophobicContact CG2-CG2 3.92Å; V135-V165 HydrophobicContact CG2-CG1 4.09Å; V135-L167 HydrophobicContact CG1-CD2 4.02Å; V135-L167 HydrophobicContact CG2-CD2 4.16Å; V135-L211 HydrophobicContact CB-CD1 4.44Å; V135-L211 HydrophobicContact CG1-CD1 3.76Å; V135-L211 HydrophobicContact CG1-CD2 4.47Å
136	L	98.1	Very high	96.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-36.7	175.5	-79.6	167.5	0	0	0	112.8	C132 H133 L139 Q140 L211 F257 T272 C275 L276 I281	C132-L136 WeakPolarHBondContact O-CB 3.46Å; C132-L136 WeakPolarHBondContact O-CD1 3.34Å; C132-L136 WeakPolarHBondContact O-CG 3.41Å; C132-L136 PolarHBondContact O-N 3.21Å; H133-L136 WeakPolarHBondContact O-CB 3.41Å; H133-L136 PolarHBondContact O-N 2.89Å; L136-L139 PolarHBondContact O-N 2.78Å; L136-Q140 VanDerWaalsContact O-CB 3.3Å; L136-Q140 WeakPolarHBondContact O-CB 3.45Å; L136-Q140 PolarHBondContact O-N 2.8Å; L136-L211 HydrophobicContact CD1-CD2 4.48Å; L136-L211 HydrophobicContact CD2-CD2 3.5Å; L136-L211 VanDerWaalsContact CD2-CD2 3.5Å; L136-L211 HydrophobicContact CG-CD2 3.68Å; L136-F257 HydrophobicContact CD1-CE2 4.29Å; L136-F257 HydrophobicContact CD1-CZ 4.07Å; L136-T272 HydrophobicContact CD2-CG2 4.07Å; L136-C275 HydrophobicContact CD1-CB 3.63Å; L136-C275 HydrophobicContact CD2-CB 3.43Å; L136-C275 VanDerWaalsContact CD2-CB 3.43Å; L136-C275 HydrophobicContact CG-CB 4.18Å; L136-L276 HydrophobicContact CB-CD1 4.47Å; L136-L276 HydrophobicContact CB-CD2 3.61Å; L136-L276 HydrophobicContact CB-CG 3.85Å; L136-L276 HydrophobicContact CD1-CD2 4.22Å; L136-L276 HydrophobicContact CD1-CG 4.35Å; L136-I281 HydrophobicContact CD1-CD1 3.91Å; L136-I281 HydrophobicContact CD1-CG1 3.91Å; L136-I281 HydrophobicContact CD1-CG2 4.3Å
137	Q	97.7	Very high	96.5	Very high	51 Å²	51	25.6 Å²	25.6	24%	0.238	14%	0.14	C	C	.	.	H	α-helix	trans	-66.3	-38.4	174.2	-66.7	-174.9	-30.4	0	0	111.4	H85 H133 E134 V135 Y141 L276	H85-Q137 PolarHBondContact CE1-O 2.99Å; H133-Q137 PolarHBondContact CE1-NE2 3.07Å; H133-Q137 PolarHBondContact NE2-NE2 3.09Å; H133-Q137 PolarHBondContact O-N 3.49Å; H133-Q137 VanDerWaalsContact O-N 3.15Å; E134-Q137 PolarHBondContact O-N 3.11Å; V135-Q137 VanDerWaalsContact C-N 3.29Å; V135-Q137 PolarHBondContact O-N 3.04Å; Q137-Y141 PolarHBondContact O-N 2.75Å; Q137-L276 HydrophobicContact CG-CD2 3.99Å
138	G	97.1	Very high	96.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.5	-48.7	170.9	0	0	0	0	0	113.2	E134 V135 Y141 I142	E134-G138 PolarHBondContact O-N 2.89Å; E134-G138 VanDerWaalsContact O-N 3.12Å; V135-G138 WeakPolarHBondContact O-CA 3.39Å; V135-G138 PolarHBondContact O-N 2.74Å; V135-G138 VanDerWaalsContact O-N 3.11Å; G138-Y141 PolarHBondContact O-N 2.75Å; G138-I142 WeakPolarHBondContact O-CG1 3.47Å; G138-I142 PolarHBondContact O-N 3.29Å
139	L	97.8	Very high	96.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-43.2	178.5	-71.9	176.7	0	0	0	112.2	V135 L136 Y141 I142 H143 H149 I152 L167 D207 L211 T272	V135-L139 HydrophobicContact CG1-CD1 4.08Å; V135-L139 HydrophobicContact CG1-CG 4.34Å; V135-L139 PolarHBondContact O-N 2.63Å; L136-L139 PolarHBondContact O-N 2.78Å; L139-Y141 VanDerWaalsContact C-N 3.25Å; L139-Y141 PolarHBondContact O-N 2.87Å; L139-I142 PolarHBondContact O-N 3.35Å; L139-H143 WeakPolarHBondContact O-CB 3.3Å; L139-H143 PolarHBondContact O-CD2 2.97Å; L139-H143 PolarHBondContact O-N 3.45Å; L139-H149 HydrophobicContact CD2-CB 4.25Å; L139-I152 HydrophobicContact CD2-CD1 3.84Å; L139-I152 HydrophobicContact CD2-CG1 4.09Å; L139-L167 HydrophobicContact CD2-CD1 3.96Å; L139-L167 HydrophobicContact CG-CD1 4.02Å; L139-D207 HydrophobicContact CD1-CB 4.2Å; L139-D207 HydrophobicContact CD2-CB 3.86Å; L139-L211 HydrophobicContact CD1-CD2 4.35Å; L139-T272 HydrophobicContact CB-CG2 3.62Å; L139-T272 HydrophobicContact CD1-CG2 4.48Å
140	Q	97.3	Very high	96.3	Very high	71 Å²	71	26.6 Å²	26.6	33%	0.332	14%	0.142	S	C	.	.	H	α-helix	trans	-56.7	-39.8	178	-171.6	-175.6	30.5	0	0	112	L136 S144 L276	L136-Q140 VanDerWaalsContact O-CB 3.3Å; L136-Q140 WeakPolarHBondContact O-CB 3.45Å; L136-Q140 PolarHBondContact O-N 2.8Å; Q140-S144 WeakPolarHBondContact O-CB 3.45Å; Q140-S144 PolarHBondContact O-N 3.45Å; Q140-S144 PolarHBondContact O-OG 3.22Å; Q140-L276 HydrophobicContact CB-CD1 4.29Å; Q140-L276 HydrophobicContact CG-CD1 4.48Å
141	Y	97.5	Very high	96.3	Very high	58 Å²	58	26.6 Å²	26.6	23%	0.227	14%	0.142	C	C	.	.	H	α-helix	trans	-67.9	-40.4	174.8	172.6	-92.4	0	0	0	112.9	L83 R84 H85 I88 Q137 G138 L139 H143 S144 L145	L83-Y141 HydrophobicContact CB-CE1 4.26Å; L83-Y141 HydrophobicContact CD2-CE1 4Å; R84-Y141 PolarHBondContact N-OH 2.75Å; R84-Y141 PolarHBondContact O-OH 2.95Å; H85-Y141 HydrophobicContact CB-CD1 3.68Å; H85-Y141 HydrophobicContact CB-CD2 4.13Å; H85-Y141 HydrophobicContact CB-CE1 3.92Å; H85-Y141 HydrophobicContact CB-CE2 4.35Å; H85-Y141 HydrophobicContact CB-CG 3.78Å; H85-Y141 AromaticContact CG-CG 3.96Å; I88-Y141 HydrophobicContact CD1-CD1 3.59Å; I88-Y141 HydrophobicContact CD1-CE1 3.97Å; Q137-Y141 PolarHBondContact O-N 2.75Å; G138-Y141 PolarHBondContact O-N 2.75Å; L139-Y141 VanDerWaalsContact C-N 3.25Å; L139-Y141 PolarHBondContact O-N 2.87Å; Y141-H143 VanDerWaalsContact C-N 3.35Å; Y141-S144 PolarHBondContact O-OG 3.47Å; Y141-S144 VanDerWaalsContact O-OG 3.09Å; Y141-L145 HydrophobicContact CD1-CD1 4.34Å; Y141-L145 HydrophobicContact CE1-CD1 3.77Å; Y141-L145 HydrophobicContact CE2-CD1 4.38Å; Y141-L145 WeakPolarHBondContact O-CG 3.46Å
142	I	96.2	Very high	96.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.7	-43.5	176	-66.4	162.8	0	0	0	110	F79 I88 G138 L139 L145 R147 L167 F170	F79-I142 HydrophobicContact CZ-CG2 4.36Å; I88-I142 HydrophobicContact CD1-CD1 3.95Å; I88-I142 HydrophobicContact CD1-CG1 3.76Å; G138-I142 WeakPolarHBondContact O-CG1 3.47Å; G138-I142 PolarHBondContact O-N 3.29Å; L139-I142 PolarHBondContact O-N 3.35Å; I142-L145 PolarHBondContact O-N 2.94Å; I142-R147 HydrophobicContact CG2-CB 3.69Å; I142-R147 WeakPolarHBondContact O-CB 3.48Å; I142-R147 PolarHBondContact O-N 2.91Å; I142-L167 HydrophobicContact CD1-CD1 3.89Å; I142-F170 HydrophobicContact CD1-CE1 3.87Å; I142-F170 HydrophobicContact CD1-CZ 4.39Å
143	H	96	Very high	96.3	Very high	21 Å²	21	28.1 Å²	28.1	10%	0.097	15%	0.148	C	C	.	.	H	α-helix	trans	-68.6	-38.7	-177.2	-65.6	-177.8	0	0	0	112.6	L139 Y141 L145 G146 Q204 D207 T272	L139-H143 WeakPolarHBondContact O-CB 3.3Å; L139-H143 PolarHBondContact O-CD2 2.97Å; L139-H143 PolarHBondContact O-N 3.45Å; Y141-H143 VanDerWaalsContact C-N 3.35Å; H143-L145 PolarHBondContact O-N 3.42Å; H143-G146 PolarHBondContact O-N 2.98Å; H143-Q204 HydrophobicContact CB-CB 4.35Å; H143-Q204 HydrophobicContact CB-CG 4.02Å; H143-Q204 PolarHBondContact NE2-O 3.17Å; H143-D207 IonicContact CD2-OD2 2.63Å; H143-T272 WeakPolarHBondContact CE1-CB 3.43Å; H143-T272 WeakPolarHBondContact CE1-CG2 3.34Å; H143-T272 PolarHBondContact CE1-OG1 3.08Å; H143-T272 VanDerWaalsContact ND1-CG2 3.32Å; H143-T272 WeakPolarHBondContact ND1-CG2 3.28Å; H143-T272 PolarHBondContact ND1-OG1 3.21Å; H143-T272 WeakPolarHBondContact NE2-CG2 3.46Å
144	S	95.4	Very high	96.3	Very high	94 Å²	94	25.8 Å²	25.8	66%	0.657	14%	0.137	S	C	*	.	H	α-helix	trans	-66.8	-18.9	176.7	68.2	0	0	0	0	113.5	Q140 Y141 G146	Q140-S144 WeakPolarHBondContact O-CB 3.45Å; Q140-S144 PolarHBondContact O-N 3.45Å; Q140-S144 PolarHBondContact O-OG 3.22Å; Y141-S144 PolarHBondContact O-OG 3.47Å; Y141-S144 VanDerWaalsContact O-OG 3.09Å; S144-G146 VanDerWaalsContact C-N 3.32Å
145	L	94.3	Very high	96.2	Very high	77 Å²	77	25.6 Å²	25.6	40%	0.403	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	6.1	171.1	-62.3	175.2	0	0	0	113.5	L83 Y141 I142 H143 R147	L83-L145 HydrophobicContact CD2-CD1 4.23Å; Y141-L145 HydrophobicContact CD1-CD1 4.34Å; Y141-L145 HydrophobicContact CE1-CD1 3.77Å; Y141-L145 HydrophobicContact CE2-CD1 4.38Å; Y141-L145 WeakPolarHBondContact O-CG 3.46Å; I142-L145 PolarHBondContact O-N 2.94Å; H143-L145 PolarHBondContact O-N 3.42Å; L145-R147 HydrophobicContact CB-CG 4.13Å
146	G	93.7	Very high	96.1	Very high	35 Å²	35	26.1 Å²	26.1	36%	0.361	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	23.2	-178.2	0	0	0	0	0	114.4	H143 S144 I176 C177	H143-G146 PolarHBondContact O-N 2.98Å; S144-G146 VanDerWaalsContact C-N 3.32Å; G146-I176 CarbonylContact O-C 3.59Å; G146-C177 WeakPolarHBondContact O-CB 3.45Å; G146-C177 PolarHBondContact O-N 3.3Å; G146-C177 VanDerWaalsContact O-N 3.12Å
147	R	93.9	Very high	96	Very high	33 Å²	33	26.2 Å²	26.2	13%	0.125	15%	0.147	C	C	.	.			trans	-112.2	163.5	-173.5	-56.4	171.6	-173	-131.7	-8.9	111.7	F79 I142 L145 S174	F79-R147 HydrophobicContact CE2-CB 3.9Å; F79-R147 HydrophobicContact CE2-CG 3.99Å; F79-R147 HydrophobicContact CZ-CB 3.82Å; F79-R147 HydrophobicContact CZ-CG 4.22Å; I142-R147 HydrophobicContact CG2-CB 3.69Å; I142-R147 WeakPolarHBondContact O-CB 3.48Å; I142-R147 PolarHBondContact O-N 2.91Å; L145-R147 HydrophobicContact CB-CG 4.13Å; R147-S174 WeakPolarHBondContact CA-O 3.39Å; R147-S174 WeakPolarHBondContact CB-O 3.33Å
148	I	94.9	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-136.3	138.7	179.7	-39.8	172.7	0	0	0	109.1	R150 A173 S174 C177 A179 Y202 Q204 D207	I148-R150 HydrophobicContact CB-CG 3.86Å; I148-R150 HydrophobicContact CG2-CG 3.48Å; I148-R150 VanDerWaalsContact CG2-CG 3.48Å; I148-A173 CarbonylContact O-C 3.56Å; I148-A173 WeakPolarHBondContact O-CA 3.28Å; I148-A173 WeakPolarHBondContact O-CB 3.33Å; I148-S174 PolarHBondContact N-O 2.92Å; I148-S174 VanDerWaalsContact N-O 3.14Å; I148-S174 PolarHBondContact O-N 2.99Å; I148-C177 HydrophobicContact CD1-CB 4.08Å; I148-C177 HydrophobicContact CG1-CB 4.1Å; I148-A179 HydrophobicContact CD1-CB 3.93Å; I148-Y202 HydrophobicContact CD1-CD2 4.38Å; I148-Y202 HydrophobicContact CD1-CE2 4.27Å; I148-Q204 HydrophobicContact CG1-CB 4.25Å; I148-D207 VanDerWaalsContact CG2-OD2 3.31Å; I148-D207 WeakPolarHBondContact CG2-OD2 3.48Å
149	H	95.8	Very high	96	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.146	C	C	.	.			trans	-82	-42.2	180	-166	-56.9	0	0	0	112.9	L139 D151 I152 A168 F170 A173 D207	L139-H149 HydrophobicContact CD2-CB 4.25Å; H149-D151 PolarHBondContact O-N 3.26Å; H149-D151 VanDerWaalsContact O-N 3.1Å; H149-I152 HydrophobicContact CB-CD1 3.97Å; H149-I152 HydrophobicContact CB-CG1 4.14Å; H149-A168 PolarHBondContact CE1-O 3.11Å; H149-A168 VanDerWaalsContact CE1-O 3.31Å; H149-A168 PolarHBondContact NE2-O 2.94Å; H149-F170 AromaticContact CD2-CD1 3.93Å; H149-F170 AromaticContact CD2-CE1 3.42Å; H149-F170 VanDerWaalsContact CD2-CE1 3.42Å; H149-F170 WeakPolarHBondContact CD2-CE1 3.39Å; H149-F170 AromaticContact NE2-CD1 3.98Å; H149-F170 AromaticContact NE2-CE1 3.62Å; H149-F170 AromaticContact NE2-CZ 3.99Å; H149-A173 WeakPolarHBondContact O-CA 3.38Å; H149-D207 WeakPolarHBondContact CB-OD2 3.26Å; H149-D207 PolarHBondContact N-OD1 3.48Å; H149-D207 PolarHBondContact N-OD2 2.76Å
150	R	94.9	Very high	95.9	Very high	28 Å²	28	26.6 Å²	26.6	11%	0.106	15%	0.151	C	C	.	.			trans	63.3	4.1	174.8	-51.1	-171	-67.4	-176.1	0.1	117.4	I148 S172 A173 S181 V183 G184 Y202 D207	I148-R150 HydrophobicContact CB-CG 3.86Å; I148-R150 HydrophobicContact CG2-CG 3.48Å; I148-R150 VanDerWaalsContact CG2-CG 3.48Å; R150-S172 PolarHBondContact NE-O 3.42Å; R150-S172 PolarHBondContact NH2-O 3.25Å; R150-A173 PolarHBondContact NH2-O 3.33Å; R150-S181 PolarHBondContact NH1-OG 2.86Å; R150-V183 HydrophobicContact CB-CG2 4.13Å; R150-G184 WeakPolarHBondContact O-CA 3.37Å; R150-Y202 WeakPolarHBondContact CD-OH 3.47Å; R150-Y202 HydrophobicContact CG-CE2 4.28Å; R150-Y202 PolarHBondContact NH1-OH 3.05Å; R150-D207 WeakPolarHBondContact CA-OD1 3.19Å; R150-D207 PolarHBondContact N-OD1 3.35Å
151	D	95.4	Very high	95.6	Very high	7 Å²	7	24.6 Å²	24.6	4%	0.037	14%	0.142	C	C	.	.			trans	-149.4	54.1	179.4	-162.2	40	0	0	0	111.7	H149 K153 N156 T185	H149-D151 PolarHBondContact O-N 3.26Å; H149-D151 VanDerWaalsContact O-N 3.1Å; D151-K153 IonicContact OD1-NZ 3.78Å; D151-K153 PolarHBondContact OD1-NZ 3.48Å; D151-K153 IonicContact OD2-NZ 3.76Å; D151-K153 PolarHBondContact OD2-NZ 3.37Å; D151-N156 PolarHBondContact O-ND2 3Å; D151-N156 PolarHBondContact OD2-ND2 3.03Å; D151-T185 VanDerWaalsContact OD1-CB 3.27Å; D151-T185 WeakPolarHBondContact OD1-CB 3.21Å; D151-T185 PolarHBondContact OD1-N 2.99Å; D151-T185 PolarHBondContact OD1-OG1 3.22Å
152	I	98	Very high	95.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.			trans	-81.9	121.7	173.9	-61	-66.5	0	0	0	109.4	L139 H149 L167 D207 L211 T214	L139-I152 HydrophobicContact CD2-CD1 3.84Å; L139-I152 HydrophobicContact CD2-CG1 4.09Å; H149-I152 HydrophobicContact CB-CD1 3.97Å; H149-I152 HydrophobicContact CB-CG1 4.14Å; I152-L167 HydrophobicContact CD1-CD1 4.29Å; I152-L167 HydrophobicContact CD1-CD2 3.59Å; I152-D207 HydrophobicContact CG1-CB 4.37Å; I152-L211 HydrophobicContact CG2-CB 4.36Å; I152-T214 PolarHBondContact O-OG1 2.89Å
153	K	96.7	Very high	95.2	Very high	35 Å²	35	29.9 Å²	29.9	15%	0.152	18%	0.177	C	C	.	.	S	Bend	trans	-159.8	161.8	179.1	65.7	-154.1	-171.3	-150.1	0	109.6	D151 G155 N156 I157 T185 W188 T214	D151-K153 IonicContact OD1-NZ 3.78Å; D151-K153 PolarHBondContact OD1-NZ 3.48Å; D151-K153 IonicContact OD2-NZ 3.76Å; D151-K153 PolarHBondContact OD2-NZ 3.37Å; K153-G155 PolarHBondContact O-N 3.31Å; K153-G155 VanDerWaalsContact O-N 3.08Å; K153-N156 WeakPolarHBondContact CE-ND2 3.41Å; K153-N156 VanDerWaalsContact CE-OD1 3.25Å; K153-N156 WeakPolarHBondContact CE-OD1 3.37Å; K153-N156 HydrophobicContact CG-CB 4.14Å; K153-N156 PolarHBondContact O-N 3.03Å; K153-I157 PolarHBondContact O-N 2.72Å; K153-T185 WeakPolarHBondContact CD-OG1 3.46Å; K153-T185 PolarHBondContact NZ-OG1 2.89Å; K153-W188 HydrophobicContact CB-CD2 3.86Å; K153-W188 HydrophobicContact CB-CG 4.03Å; K153-W188 HydrophobicContact CB-CZ2 3.95Å; K153-T214 WeakPolarHBondContact CA-OG1 3.47Å
154	A	96.5	Very high	95.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23	-178.1	0	0	0	0	0	113.5	A112 S113 L116 N156 T214 E217 L218	A112-A154 HydrophobicContact CB-CB 3.96Å; A112-A154 WeakPolarHBondContact CB-O 3.49Å; A112-A154 PolarHBondContact N-O 3.46Å; A112-A154 VanDerWaalsContact N-O 3.12Å; S113-A154 PolarHBondContact N-O 3.47Å; L116-A154 HydrophobicContact CD1-CB 4.45Å; A154-N156 VanDerWaalsContact C-N 3.33Å; A154-T214 HydrophobicContact CB-CG2 4.27Å; A154-E217 HydrophobicContact CB-CG 4.16Å; A154-E217 WeakPolarHBondContact CB-OE1 3.33Å; A154-E217 VanDerWaalsContact CB-OE2 3.29Å; A154-E217 WeakPolarHBondContact CB-OE2 3.45Å; A154-E217 PolarHBondContact N-OE2 3.2Å; A154-L218 HydrophobicContact CB-CD2 4.02Å
155	G	94.5	Very high	95.3	Very high	26 Å²	26	25.9 Å²	25.9	27%	0.268	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-26.2	172.8	0	0	0	0	0	114.6	S111 K153	S111-G155 WeakPolarHBondContact CB-O 3.34Å; K153-G155 PolarHBondContact O-N 3.31Å; K153-G155 VanDerWaalsContact O-N 3.08Å
156	N	95.5	Very high	95.5	Very high	13 Å²	13	23.3 Å²	23.3	7%	0.07	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	0.9	-177.5	-69.4	5	0	0	0	112.8	D151 K153 A154 A168	D151-N156 PolarHBondContact O-ND2 3Å; D151-N156 PolarHBondContact OD2-ND2 3.03Å; K153-N156 WeakPolarHBondContact CE-ND2 3.41Å; K153-N156 VanDerWaalsContact CE-OD1 3.25Å; K153-N156 WeakPolarHBondContact CE-OD1 3.37Å; K153-N156 HydrophobicContact CG-CB 4.14Å; K153-N156 PolarHBondContact O-N 3.03Å; A154-N156 VanDerWaalsContact C-N 3.33Å; N156-A168 PolarHBondContact O-N 3.25Å
157	I	97.8	Very high	95.7	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	108.5	170.8	-63.1	166.8	0	0	0	107.3	S111 A112 M131 V135 K153 V165 L167 T214	S111-I157 CarbonylContact C-O 3.56Å; S111-I157 VanDerWaalsContact CA-O 3.28Å; S111-I157 WeakPolarHBondContact CA-O 3.42Å; A112-I157 HydrophobicContact CB-CB 4.23Å; A112-I157 HydrophobicContact CB-CG2 4.27Å; A112-I157 PolarHBondContact N-O 2.82Å; M131-I157 HydrophobicContact CE-CG2 4.19Å; V135-I157 HydrophobicContact CG2-CD1 3.86Å; V135-I157 HydrophobicContact CG2-CG1 3.88Å; V135-I157 HydrophobicContact CG2-CG2 3.92Å; K153-I157 PolarHBondContact O-N 2.72Å; I157-V165 HydrophobicContact CG2-CG1 3.36Å; I157-L167 HydrophobicContact CG1-CD2 4.24Å; I157-T214 HydrophobicContact CD1-CG2 3.57Å
158	L	97.2	Very high	95.7	Very high	39 Å²	39	20.5 Å²	20.5	20%	0.204	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	155.4	-178.8	-56.1	-173.9	0	0	0	111.9	C108 G110 V165 K166 A168	C108-L158 HydrophobicContact CB-CB 3.67Å; C108-L158 HydrophobicContact CB-CD1 4.09Å; C108-L158 HydrophobicContact CB-CG 4.45Å; G110-L158 WeakPolarHBondContact O-CA 3.4Å; L158-V165 WeakPolarHBondContact O-CA 3.48Å; L158-K166 PolarHBondContact N-O 2.89Å; L158-K166 PolarHBondContact O-N 3.36Å; L158-A168 HydrophobicContact CD1-CB 3.48Å; L158-A168 VanDerWaalsContact CD1-CB 3.48Å; L158-A168 HydrophobicContact CG-CB 3.77Å
159	L	97	Very high	95.5	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127	179.4	-62.1	92.8	0	0	0	111.3	C108 V109 G110 A112 I115 M131 V165 V290 I294	C108-L159 CarbonylContact C-O 3.46Å; C108-L159 WeakPolarHBondContact CB-O 3.29Å; V109-L159 PolarHBondContact N-O 2.65Å; G110-L159 PolarHBondContact O-N 3.15Å; A112-L159 HydrophobicContact CB-CD1 4.19Å; I115-L159 HydrophobicContact CD1-CD1 3.75Å; I115-L159 HydrophobicContact CD1-CD2 3.67Å; I115-L159 HydrophobicContact CD1-CG 4.28Å; M131-L159 HydrophobicContact CE-CD1 3.96Å; M131-L159 HydrophobicContact CE-CD2 3.96Å; M131-L159 HydrophobicContact CE-CG 4.27Å; M131-L159 HydrophobicContact SD-CD2 4.47Å; L159-V165 HydrophobicContact CD2-CG2 4.46Å; L159-V290 HydrophobicContact CD2-CG1 3.66Å; L159-I294 HydrophobicContact CB-CD1 3.97Å; L159-I294 HydrophobicContact CB-CG1 4.48Å; L159-I294 HydrophobicContact CD2-CD1 4.22Å; L159-I294 HydrophobicContact CD2-CG1 4.2Å
160	T	94.6	Very high	95.3	Very high	17 Å²	17	23.3 Å²	23.3	10%	0.104	13%	0.132	C	C	.	.			trans	-80.4	155.7	172.2	57.9	0	0	0	0	111.2	L162 G163 S164 K166 I294	T160-L162 PolarHBondContact O-N 2.93Å; T160-L162 VanDerWaalsContact O-N 3.15Å; T160-G163 PolarHBondContact O-N 3.28Å; T160-S164 PolarHBondContact N-O 3.34Å; T160-S164 WeakPolarHBondContact OG1-CA 3.45Å; T160-S164 PolarHBondContact OG1-N 2.88Å; T160-S164 PolarHBondContact OG1-O 3.32Å; T160-K166 HydrophobicContact CG2-CD 3.64Å; T160-K166 VanDerWaalsContact CG2-CE 3.5Å; T160-I294 WeakPolarHBondContact O-CD1 3.33Å
161	D	92.5	Very high	94.9	Very high	29 Å²	29	23 Å²	23	16%	0.155	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.6	-175.7	-153.2	43.8	0	0	0	114	V109 G163 Y291 K298 L318	V109-D161 HydrophobicContact CG2-CB 3.74Å; V109-D161 WeakPolarHBondContact CG2-OD1 3.49Å; D161-G163 PolarHBondContact O-N 2.94Å; D161-Y291 WeakPolarHBondContact O-CD2 3.42Å; D161-K298 VanDerWaalsContact CG-NZ 3.28Å; D161-K298 WeakPolarHBondContact OD1-CE 3.38Å; D161-K298 IonicContact OD1-NZ 3.06Å; D161-K298 PolarHBondContact OD1-NZ 2.82Å; D161-K298 IonicContact OD2-NZ 3.3Å; D161-K298 PolarHBondContact OD2-NZ 3.37Å; D161-K298 VanDerWaalsContact OD2-NZ 3.16Å; D161-L318 HydrophobicContact CB-CD1 3.81Å
162	L	92.3	Very high	94.6	Very high	156 Å²	156	24.1 Å²	24.1	82%	0.817	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	3.7	176.2	-56.3	179.1	0	0	0	113.4	T160	T160-L162 PolarHBondContact O-N 2.93Å; T160-L162 VanDerWaalsContact O-N 3.15Å
163	G	92.9	Very high	94.4	Very high	13 Å²	13	25 Å²	25	13%	0.134	15%	0.153	C	C	.	.	S	Bend	trans	86.1	11.4	175.7	0	0	0	0	0	116.1	T160 D161 V290	T160-G163 PolarHBondContact O-N 3.28Å; D161-G163 PolarHBondContact O-N 2.94Å; G163-V290 VanDerWaalsContact O-CB 3.26Å; G163-V290 WeakPolarHBondContact O-CB 3.49Å; G163-V290 WeakPolarHBondContact O-CG1 3.49Å
164	S	95.4	Very high	94.1	Very high	31 Å²	31	24 Å²	24	22%	0.217	15%	0.151	C	C	.	.			trans	-89.1	141.7	170.8	-171.8	0	0	0	0	111.9	E134 T160	E134-S164 WeakPolarHBondContact OE2-CA 3.29Å; E134-S164 PolarHBondContact OE2-OG 3.33Å; T160-S164 PolarHBondContact N-O 3.34Å; T160-S164 WeakPolarHBondContact OG1-CA 3.45Å; T160-S164 PolarHBondContact OG1-N 2.88Å; T160-S164 PolarHBondContact OG1-O 3.32Å
165	V	97.7	Very high	93.7	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.3	-173.8	-177.4	0	0	0	0	110.3	N87 M131 E134 V135 I157 L158 L159 V290	N87-V165 WeakPolarHBondContact CA-O 3.47Å; N87-V165 WeakPolarHBondContact CB-O 3.49Å; N87-V165 PolarHBondContact ND2-O 3.13Å; M131-V165 HydrophobicContact CG-CG2 4.07Å; E134-V165 HydrophobicContact CB-CB 3.74Å; E134-V165 HydrophobicContact CB-CG1 4.42Å; E134-V165 HydrophobicContact CB-CG2 4.32Å; E134-V165 HydrophobicContact CG-CB 4.28Å; E134-V165 HydrophobicContact CG-CG2 4.47Å; E134-V165 PolarHBondContact OE2-N 3.1Å; V135-V165 HydrophobicContact CG2-CG1 4.09Å; I157-V165 HydrophobicContact CG2-CG1 3.36Å; L158-V165 WeakPolarHBondContact O-CA 3.48Å; L159-V165 HydrophobicContact CD2-CG2 4.46Å; V165-V290 HydrophobicContact CG2-CG1 3.9Å; V165-V290 HydrophobicContact CG2-CG2 4.42Å
166	K	97.7	Very high	93.3	Very high	23 Å²	23	32.1 Å²	32.1	10%	0.1	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.1	-170.2	-72	172.1	177	-89.1	0	113.2	K86 N87 I88 E106 L158 T160	K86-K166 WeakPolarHBondContact O-CE 3.42Å; K86-K166 WeakPolarHBondContact O-CG 3.21Å; K86-K166 PolarHBondContact O-NZ 2.86Å; N87-K166 WeakPolarHBondContact O-CA 3.32Å; I88-K166 PolarHBondContact O-NZ 2.82Å; E106-K166 VanDerWaalsContact CD-CE 3.42Å; E106-K166 VanDerWaalsContact CD-NZ 3.33Å; E106-K166 VanDerWaalsContact OE1-CD 3.27Å; E106-K166 WeakPolarHBondContact OE1-CD 3.42Å; E106-K166 WeakPolarHBondContact OE1-CE 3.49Å; E106-K166 IonicContact OE1-NZ 2.75Å; E106-K166 PolarHBondContact OE1-NZ 3.35Å; E106-K166 WeakPolarHBondContact OE2-CD 3.41Å; E106-K166 WeakPolarHBondContact OE2-CE 3.02Å; E106-K166 IonicContact OE2-NZ 3.12Å; E106-K166 PolarHBondContact OE2-NZ 2.87Å; L158-K166 PolarHBondContact N-O 2.89Å; L158-K166 PolarHBondContact O-N 3.36Å; T160-K166 HydrophobicContact CG2-CD 3.64Å; T160-K166 VanDerWaalsContact CG2-CE 3.5Å
167	L	97.6	Very high	93	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	139.5	170.6	-66.9	176.8	0	0	0	111.8	N87 V89 V135 L139 I142 I152 I157 F170	N87-L167 PolarHBondContact O-N 3.33Å; V89-L167 PolarHBondContact N-O 3.48Å; V135-L167 HydrophobicContact CG1-CD2 4.02Å; V135-L167 HydrophobicContact CG2-CD2 4.16Å; L139-L167 HydrophobicContact CD2-CD1 3.96Å; L139-L167 HydrophobicContact CG-CD1 4.02Å; I142-L167 HydrophobicContact CD1-CD1 3.89Å; I152-L167 HydrophobicContact CD1-CD1 4.29Å; I152-L167 HydrophobicContact CD1-CD2 3.59Å; I157-L167 HydrophobicContact CG1-CD2 4.24Å; L167-F170 HydrophobicContact CB-CZ 4.12Å
168	A	94.1	Very high	92.5	Very high	8 Å²	8	36.9 Å²	36.9	7%	0.066	22%	0.218	C	C	.	.			trans	-146.2	175.4	-178	0	0	0	0	0	112.5	V89 H149 N156 L158	V89-A168 HydrophobicContact CB-CB 4.23Å; V89-A168 HydrophobicContact CG1-CB 3.88Å; H149-A168 PolarHBondContact CE1-O 3.11Å; H149-A168 VanDerWaalsContact CE1-O 3.31Å; H149-A168 PolarHBondContact NE2-O 2.94Å; N156-A168 PolarHBondContact O-N 3.25Å; L158-A168 HydrophobicContact CD1-CB 3.48Å; L158-A168 VanDerWaalsContact CD1-CB 3.48Å; L158-A168 HydrophobicContact CG-CB 3.77Å
169	D	90.3	Very high	92.2	Very high	57 Å²	57	35.4 Å²	35.4	31%	0.305	21%	0.212	S	C	.	.			trans	60.2	66	-177.3	-160	28.1	0	0	0	114.6	K57 G171	K57-D169 IonicContact NZ-OD1 2.76Å; K57-D169 PolarHBondContact NZ-OD1 3.32Å; D169-G171 PolarHBondContact O-N 2.84Å
170	F	91.6	Very high	91.7	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.013	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-78.7	12.5	-179.9	-64.8	-82.5	0	0	0	114.2	E76 F79 L80 L83 I88 V89 I142 H149 L167 S172 A173	E76-F170 HydrophobicContact CG-CB 4.28Å; F79-F170 HydrophobicContact CD1-CB 3.78Å; F79-F170 AromaticContact CD1-CD1 3.64Å; F79-F170 HydrophobicContact CD1-CD1 3.64Å; F79-F170 HydrophobicContact CD1-CE1 4.45Å; F79-F170 AromaticContact CD1-CG 3.84Å; F79-F170 HydrophobicContact CD1-CG 3.84Å; F79-F170 HydrophobicContact CE1-CB 4.31Å; F79-F170 AromaticContact CE1-CD1 3.33Å; F79-F170 HydrophobicContact CE1-CD1 3.33Å; F79-F170 AromaticContact CE1-CE1 3.87Å; F79-F170 HydrophobicContact CE1-CE1 3.87Å; F79-F170 HydrophobicContact CE1-CG 4.03Å; F79-F170 HydrophobicContact CZ-CD1 4.4Å; L80-F170 HydrophobicContact CD1-CD2 3.66Å; L80-F170 HydrophobicContact CD1-CE2 3.68Å; L80-F170 HydrophobicContact CG-CD2 4.47Å; L83-F170 HydrophobicContact CD1-CD1 4.27Å; L83-F170 HydrophobicContact CD1-CE1 3.89Å; L83-F170 HydrophobicContact CD1-CE2 4.23Å; L83-F170 HydrophobicContact CD1-CZ 3.88Å; I88-F170 HydrophobicContact CG2-CE2 3.91Å; I88-F170 HydrophobicContact CG2-CZ 3.78Å; V89-F170 HydrophobicContact CG1-CE2 4.31Å; I142-F170 HydrophobicContact CD1-CE1 3.87Å; I142-F170 HydrophobicContact CD1-CZ 4.39Å; H149-F170 AromaticContact CD2-CD1 3.93Å; H149-F170 AromaticContact CD2-CE1 3.42Å; H149-F170 VanDerWaalsContact CD2-CE1 3.42Å; H149-F170 WeakPolarHBondContact CD2-CE1 3.39Å; H149-F170 AromaticContact NE2-CD1 3.98Å; H149-F170 AromaticContact NE2-CE1 3.62Å; H149-F170 AromaticContact NE2-CZ 3.99Å; L167-F170 HydrophobicContact CB-CZ 4.12Å; F170-S172 PolarHBondContact O-N 3.37Å; F170-S172 VanDerWaalsContact O-N 3.17Å; F170-A173 HydrophobicContact CB-CB 4.14Å; F170-A173 HydrophobicContact CD1-CB 4.22Å; F170-A173 VanDerWaalsContact O-CB 3.25Å; F170-A173 WeakPolarHBondContact O-CB 3.46Å; F170-A173 PolarHBondContact O-N 3.31Å
171	G	87.2	Confident	91.3	Very high	22 Å²	22	43.4 Å²	43.4	23%	0.227	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-60.2	-24.7	179.7	0	0	0	0	0	114	D169	D169-G171 PolarHBondContact O-N 2.84Å
172	S	90.3	Very high	91.1	Very high	30 Å²	30	45.8 Å²	45.8	21%	0.21	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-94.3	-3.6	174.6	-62.2	0	0	0	0	114.4	R150 F170	R150-S172 PolarHBondContact NE-O 3.42Å; R150-S172 PolarHBondContact NH2-O 3.25Å; F170-S172 PolarHBondContact O-N 3.37Å; F170-S172 VanDerWaalsContact O-N 3.17Å
173	A	92.3	Very high	90.9	Very high	18 Å²	18	40.5 Å²	40.5	15%	0.149	24%	0.237	C	C	.	.			trans	-67.9	160.9	-168.2	0	0	0	0	0	114.1	F79 I148 H149 R150 F170	F79-A173 HydrophobicContact CD1-CB 3.95Å; F79-A173 HydrophobicContact CD2-CB 3.91Å; F79-A173 HydrophobicContact CE1-CB 3.72Å; F79-A173 HydrophobicContact CE2-CB 3.7Å; F79-A173 HydrophobicContact CG-CB 4.05Å; F79-A173 HydrophobicContact CZ-CB 3.6Å; I148-A173 CarbonylContact O-C 3.56Å; I148-A173 WeakPolarHBondContact O-CA 3.28Å; I148-A173 WeakPolarHBondContact O-CB 3.33Å; H149-A173 WeakPolarHBondContact O-CA 3.38Å; R150-A173 PolarHBondContact NH2-O 3.33Å; F170-A173 HydrophobicContact CB-CB 4.14Å; F170-A173 HydrophobicContact CD1-CB 4.22Å; F170-A173 VanDerWaalsContact O-CB 3.25Å; F170-A173 WeakPolarHBondContact O-CB 3.46Å; F170-A173 PolarHBondContact O-N 3.31Å
174	S	91.4	Very high	90.7	Very high	14 Å²	14	40.9 Å²	40.9	10%	0.098	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-116.9	127.1	174.5	-167.5	0	0	0	0	111.5	F79 R147 I148 I176	F79-S174 WeakPolarHBondContact CE2-O 3.39Å; R147-S174 WeakPolarHBondContact CA-O 3.39Å; R147-S174 WeakPolarHBondContact CB-O 3.33Å; I148-S174 PolarHBondContact N-O 2.92Å; I148-S174 VanDerWaalsContact N-O 3.14Å; I148-S174 PolarHBondContact O-N 2.99Å; S174-I176 WeakPolarHBondContact CB-O 3.32Å; S174-I176 PolarHBondContact O-N 3.2Å; S174-I176 PolarHBondContact OG-N 3.04Å; S174-I176 PolarHBondContact OG-O 3Å
175	L	87.9	Confident	90.5	Very high	78 Å²	78	41.1 Å²	41.1	41%	0.408	24%	0.242	S	C	.	.	S	Bend	trans	-72.9	-7.4	168.9	-72.6	171.2	0	0	0	113.4	F79	F79-L175 HydrophobicContact CD2-CD2 3.47Å; F79-L175 VanDerWaalsContact CD2-CD2 3.47Å; F79-L175 HydrophobicContact CD2-CG 3.87Å; F79-L175 HydrophobicContact CE2-CD2 4.01Å; F79-L175 HydrophobicContact CE2-CG 4.44Å; F79-L175 HydrophobicContact CG-CD2 4.38Å
176	I	86.6	Confident	90.3	Very high	119 Å²	119	42.7 Å²	42.7	61%	0.61	25%	0.251	S	S	*	.	S	Bend	trans	-133.2	135.9	-173.5	-55.1	175.5	0	0	0	109.5	G146 S174	G146-I176 CarbonylContact O-C 3.59Å; S174-I176 WeakPolarHBondContact CB-O 3.32Å; S174-I176 PolarHBondContact O-N 3.2Å; S174-I176 PolarHBondContact OG-N 3.04Å; S174-I176 PolarHBondContact OG-O 3Å
177	C	87.7	Confident	90.2	Very high	36 Å²	36	43.5 Å²	43.5	24%	0.243	25%	0.254	C	S	.	.	S	Bend	trans	-122.5	135.7	166.2	-175.5	0	0	0	0	109.1	G146 I148 Q204	G146-C177 WeakPolarHBondContact O-CB 3.45Å; G146-C177 PolarHBondContact O-N 3.3Å; G146-C177 VanDerWaalsContact O-N 3.12Å; I148-C177 HydrophobicContact CD1-CB 4.08Å; I148-C177 HydrophobicContact CG1-CB 4.1Å; C177-Q204 PolarHBondContact SG-OE1 3.45Å
178	P	89.1	Confident	90.2	Very high	78 Å²	78	44.4 Å²	44.4	51%	0.506	26%	0.258	S	S	.	.	S	Bend	cis	-67	156.7	-6.1	-20.7	34.7	0	0	0	113.6	K201 Y202	P178-K201 HydrophobicContact CB-CB 4.05Å; P178-Y202 CarbonylContact C-O 3.49Å; P178-Y202 VanDerWaalsContact CA-O 3.32Å; P178-Y202 WeakPolarHBondContact CA-O 3.47Å; P178-Y202 WeakPolarHBondContact CB-O 3.48Å
179	A	89	Confident	90.3	Very high	8 Å²	8	44.3 Å²	44.3	7%	0.066	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-113.6	160.4	174.7	0	0	0	0	0	111.5	I148 K201 Y202	I148-A179 HydrophobicContact CD1-CB 3.93Å; A179-K201 CarbonylContact O-C 3.49Å; A179-K201 VanDerWaalsContact O-CA 3.29Å; A179-K201 WeakPolarHBondContact O-CA 3.31Å; A179-Y202 HydrophobicContact CB-CD2 4.39Å; A179-Y202 HydrophobicContact CB-CE1 4.47Å; A179-Y202 HydrophobicContact CB-CE2 3.72Å; A179-Y202 PolarHBondContact N-O 3.36Å; A179-Y202 WeakPolarHBondContact O-CD1 3.47Å; A179-Y202 PolarHBondContact O-N 3.37Å
180	Q	87.2	Confident	90.5	Very high	134 Å²	134	41.7 Å²	41.7	63%	0.626	24%	0.242	S	C	*	.			trans	-125.7	-18.9	-179.1	70.7	-174.6	62.8	0	0	114.5	F182 G200 K201	Q180-F182 PolarHBondContact O-N 2.88Å; Q180-G200 WeakPolarHBondContact CB-O 3.33Å; Q180-K201 HydrophobicContact CB-CG 4.37Å
181	S	85.5	Confident	90.6	Very high	53 Å²	53	41.7 Å²	41.7	37%	0.371	24%	0.242	S	C	.	.			trans	-74.4	129.2	-172.2	62.9	0	0	0	0	111.7	R150 V183 Y202	R150-S181 PolarHBondContact NH1-OG 2.86Å; S181-V183 PolarHBondContact O-N 3.31Å; S181-V183 VanDerWaalsContact O-N 3.1Å; S181-Y202 PolarHBondContact O-OH 3.37Å
182	F	88.9	Confident	90.8	Very high	79 Å²	79	41.6 Å²	41.6	35%	0.346	24%	0.236	S	C	.	.			trans	-68.2	101.9	173.2	-177.8	-97.5	0	0	0	111.1	Q180 M189 I194 M197 L234	Q180-F182 PolarHBondContact O-N 2.88Å; F182-M189 HydrophobicContact CD2-CE 3.64Å; F182-M189 HydrophobicContact CE1-CE 4.35Å; F182-M189 HydrophobicContact CE2-CE 3.33Å; F182-M189 HydrophobicContact CE2-SD 4.18Å; F182-M189 HydrophobicContact CG-CE 4.28Å; F182-M189 HydrophobicContact CZ-CE 3.72Å; F182-M189 HydrophobicContact CZ-SD 4.04Å; F182-I194 HydrophobicContact CE2-CG1 4.46Å; F182-M197 HydrophobicContact CB-CG 4.09Å; F182-M197 HydrophobicContact CD2-CG 3.27Å; F182-M197 HydrophobicContact CD2-SD 3.73Å; F182-M197 HydrophobicContact CE2-CG 3.79Å; F182-M197 HydrophobicContact CE2-SD 3.58Å; F182-M197 VanDerWaalsContact CE2-SD 3.58Å; F182-M197 HydrophobicContact CG-CG 3.76Å; F182-M197 HydrophobicContact CG-SD 4.3Å; F182-M197 HydrophobicContact CZ-SD 4.06Å; F182-L234 HydrophobicContact CE2-CD2 4.26Å; F182-L234 HydrophobicContact CZ-CD1 3.84Å; F182-L234 HydrophobicContact CZ-CD2 3.98Å
183	V	88.1	Confident	91	Very high	45 Å²	45	40.6 Å²	40.6	27%	0.273	23%	0.228	S	C	.	.			trans	-147.1	160.8	178.5	-60.1	0	0	0	0	110.7	R150 S181 M189	R150-V183 HydrophobicContact CB-CG2 4.13Å; S181-V183 PolarHBondContact O-N 3.31Å; S181-V183 VanDerWaalsContact O-N 3.1Å; V183-M189 WeakPolarHBondContact O-CE 3.49Å
184	G	88.2	Confident	90.8	Very high	22 Å²	22	40.5 Å²	40.5	23%	0.227	23%	0.225	C	C	.	.	S	Bend	trans	119.4	167.9	-178.3	0	0	0	0	0	112.5	R150	R150-G184 WeakPolarHBondContact O-CA 3.37Å
185	T	92.1	Very high	90.6	Very high	36 Å²	36	45.5 Å²	45.5	22%	0.221	25%	0.25	C	S	.	.			trans	-82.6	119.8	178.1	-53.4	0	0	0	0	110.9	D151 K153 Y187 W188 M189	D151-T185 VanDerWaalsContact OD1-CB 3.27Å; D151-T185 WeakPolarHBondContact OD1-CB 3.21Å; D151-T185 PolarHBondContact OD1-N 2.99Å; D151-T185 PolarHBondContact OD1-OG1 3.22Å; K153-T185 WeakPolarHBondContact CD-OG1 3.46Å; K153-T185 PolarHBondContact NZ-OG1 2.89Å; T185-Y187 PolarHBondContact O-N 2.88Å; T185-W188 HydrophobicContact CG2-CE3 3.53Å; T185-W188 HydrophobicContact CG2-CZ3 3.37Å; T185-W188 PolarHBondContact O-N 3.19Å; T185-M189 PolarHBondContact O-N 3.4Å
186	P	93	Very high	90.3	Very high	33 Å²	33	42 Å²	42	21%	0.214	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-45.3	-42.6	-164.1	-37	37.6	0	0	0	118.5	W188 M189 A230 L234 I237	P186-W188 VanDerWaalsContact C-N 3.27Å; P186-W188 PolarHBondContact O-N 3.17Å; P186-M189 PolarHBondContact O-N 2.96Å; P186-A230 HydrophobicContact CB-CB 4.03Å; P186-A230 HydrophobicContact CG-CB 3.94Å; P186-L234 HydrophobicContact CB-CD1 4.44Å; P186-L234 HydrophobicContact CB-CD2 4.09Å; P186-L234 HydrophobicContact CB-CG 4.11Å; P186-I237 VanDerWaalsContact O-CD1 3.31Å; P186-I237 WeakPolarHBondContact O-CD1 3.39Å
187	Y	95.8	Very high	89.5	Confident	41 Å²	41	41.2 Å²	41.2	16%	0.161	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-72.8	-17.3	-176.1	-46.8	-85.4	0	0	0	113.9	T185 P223 L225 F226 M228 A233	T185-Y187 PolarHBondContact O-N 2.88Å; Y187-P223 HydrophobicContact CG-CG 4.35Å; Y187-L225 WeakPolarHBondContact CE1-O 3.44Å; Y187-F226 HydrophobicContact CD2-CD2 4.39Å; Y187-F226 HydrophobicContact CE2-CD2 4.46Å; Y187-M228 PolarHBondContact OH-O 3.24Å; Y187-M228 VanDerWaalsContact OH-O 3.11Å; Y187-A233 HydrophobicContact CD1-CB 3.71Å; Y187-A233 HydrophobicContact CE1-CB 3.65Å
188	W	97.8	Very high	88.2	Confident	19 Å²	19	46 Å²	46	7%	0.072	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-104	-3.5	177.7	-62.2	-107.1	0	0	0	112.8	K153 T185 P186 S210 I213 E217 P223	K153-W188 HydrophobicContact CB-CD2 3.86Å; K153-W188 HydrophobicContact CB-CG 4.03Å; K153-W188 HydrophobicContact CB-CZ2 3.95Å; T185-W188 HydrophobicContact CG2-CE3 3.53Å; T185-W188 HydrophobicContact CG2-CZ3 3.37Å; T185-W188 PolarHBondContact O-N 3.19Å; P186-W188 VanDerWaalsContact C-N 3.27Å; P186-W188 PolarHBondContact O-N 3.17Å; W188-S210 WeakPolarHBondContact O-CA 3.08Å; W188-S210 WeakPolarHBondContact O-CB 3.33Å; W188-S210 PolarHBondContact O-OG 3.29Å; W188-I213 HydrophobicContact CB-CG2 4.35Å; W188-I213 HydrophobicContact CD2-CG2 4.5Å; W188-I213 HydrophobicContact CG-CB 4.4Å; W188-I213 HydrophobicContact CG-CG2 3.85Å; W188-E217 HydrophobicContact CZ2-CG 4.48Å; W188-E217 WeakPolarHBondContact CZ2-OE2 3.29Å; W188-E217 PolarHBondContact NE1-OE2 3.46Å; W188-P223 HydrophobicContact CD2-CB 4.41Å; W188-P223 HydrophobicContact CD2-CG 4.47Å; W188-P223 HydrophobicContact CH2-CG 3.68Å; W188-P223 HydrophobicContact CZ2-CB 4.08Å; W188-P223 HydrophobicContact CZ2-CG 3.61Å; W188-P223 HydrophobicContact CZ3-CG 4.14Å
189	M	95.6	Very high	87.2	Confident	6 Å²	6	51.4 Å²	51.4	3%	0.03	27%	0.269	C	S	.	.			trans	-68.4	140.8	-178.3	-66.4	-178.3	70.5	0	0	111.2	F182 V183 T185 P186 V193 I194 W209 L234	F182-M189 HydrophobicContact CD2-CE 3.64Å; F182-M189 HydrophobicContact CE1-CE 4.35Å; F182-M189 HydrophobicContact CE2-CE 3.33Å; F182-M189 HydrophobicContact CE2-SD 4.18Å; F182-M189 HydrophobicContact CG-CE 4.28Å; F182-M189 HydrophobicContact CZ-CE 3.72Å; F182-M189 HydrophobicContact CZ-SD 4.04Å; V183-M189 WeakPolarHBondContact O-CE 3.49Å; T185-M189 PolarHBondContact O-N 3.4Å; P186-M189 PolarHBondContact O-N 2.96Å; M189-V193 HydrophobicContact CE-CB 4.27Å; M189-V193 HydrophobicContact CE-CG1 3.51Å; M189-I194 HydrophobicContact CB-CD1 4.37Å; M189-I194 HydrophobicContact CB-CG1 4.23Å; M189-W209 PolarHBondContact O-NE1 3.32Å; M189-L234 HydrophobicContact SD-CD2 3.82Å
190	A	95	Very high	86.6	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.008	28%	0.278	C	S	.	.			trans	-80.9	149.3	177.6	0	0	0	0	0	111.9	E192 V193 I194 A206 W209	A190-E192 VanDerWaalsContact C-N 3.26Å; A190-E192 VanDerWaalsContact CB-CD 3.46Å; A190-E192 WeakPolarHBondContact CB-OE1 3.38Å; A190-E192 WeakPolarHBondContact CB-OE2 3.39Å; A190-E192 PolarHBondContact O-N 2.86Å; A190-V193 HydrophobicContact CB-CG2 4.13Å; A190-V193 WeakPolarHBondContact O-CB 3.29Å; A190-V193 PolarHBondContact O-N 3.03Å; A190-I194 PolarHBondContact O-N 2.94Å; A190-A206 HydrophobicContact CB-CB 4.18Å; A190-W209 VanDerWaalsContact CA-CD1 3.42Å; A190-W209 HydrophobicContact CB-CB 3.66Å; A190-W209 HydrophobicContact CB-CD2 4.2Å; A190-W209 HydrophobicContact CB-CG 3.58Å
191	P	93.2	Very high	86.6	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.019	28%	0.279	C	S	.	.	H	α-helix	trans	-55.3	-38.8	-175.2	-25.5	34	0	0	0	113.3	V193 I194 L195 W209 I237 K264	P191-V193 VanDerWaalsContact C-N 3.31Å; P191-V193 PolarHBondContact O-N 3.06Å; P191-I194 PolarHBondContact O-N 3.49Å; P191-L195 WeakPolarHBondContact O-CB 3.43Å; P191-L195 VanDerWaalsContact O-CG 3.29Å; P191-L195 WeakPolarHBondContact O-CG 3.41Å; P191-L195 PolarHBondContact O-N 3.35Å; P191-W209 HydrophobicContact CG-CE3 4.22Å; P191-W209 HydrophobicContact CG-CH2 3.57Å; P191-W209 HydrophobicContact CG-CZ2 3.9Å; P191-W209 HydrophobicContact CG-CZ3 3.73Å; P191-I237 HydrophobicContact CG-CG2 4.05Å; P191-K264 HydrophobicContact CG-CB 4.48Å; P191-K264 HydrophobicContact CG-CG 4.24Å
192	E	93.1	Very high	86.9	Confident	21 Å²	21	50.6 Å²	50.6	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-28.2	178.1	70.2	-77.8	-177.7	0	0	113.6	A190 I194 A196 A206 P266 R269	A190-E192 VanDerWaalsContact C-N 3.26Å; A190-E192 VanDerWaalsContact CB-CD 3.46Å; A190-E192 WeakPolarHBondContact CB-OE1 3.38Å; A190-E192 WeakPolarHBondContact CB-OE2 3.39Å; A190-E192 PolarHBondContact O-N 2.86Å; E192-I194 VanDerWaalsContact C-N 3.33Å; E192-A196 WeakPolarHBondContact O-CB 3.3Å; E192-A196 PolarHBondContact O-N 3.31Å; E192-A206 WeakPolarHBondContact OE1-CA 3.36Å; E192-P266 HydrophobicContact CB-CG 3.93Å; E192-P266 HydrophobicContact CG-CG 3.76Å; E192-R269 IonicContact OE1-CZ 3.91Å; E192-R269 IonicContact OE1-NH1 2.88Å; E192-R269 PolarHBondContact OE1-NH1 3.44Å; E192-R269 IonicContact OE1-NH2 3.38Å; E192-R269 IonicContact OE2-CZ 3.85Å; E192-R269 IonicContact OE2-NH1 2.78Å; E192-R269 PolarHBondContact OE2-NH1 2.97Å; E192-R269 IonicContact OE2-NH2 3.49Å; E192-R269 PolarHBondContact OE2-NH2 3.39Å
193	V	92.6	Very high	87.1	Confident	8 Å²	8	48.9 Å²	48.9	5%	0.048	26%	0.257	C	S	.	.	H	α-helix	trans	-71.3	-33.4	174.5	-174.2	0	0	0	0	110.5	M189 A190 P191 Y202 A206	M189-V193 HydrophobicContact CE-CB 4.27Å; M189-V193 HydrophobicContact CE-CG1 3.51Å; A190-V193 HydrophobicContact CB-CG2 4.13Å; A190-V193 WeakPolarHBondContact O-CB 3.29Å; A190-V193 PolarHBondContact O-N 3.03Å; P191-V193 VanDerWaalsContact C-N 3.31Å; P191-V193 PolarHBondContact O-N 3.06Å; V193-Y202 HydrophobicContact CB-CD1 4.21Å; V193-Y202 HydrophobicContact CB-CE1 4.34Å; V193-Y202 HydrophobicContact CG1-CD1 4.21Å; V193-Y202 HydrophobicContact CG1-CE1 3.83Å; V193-Y202 HydrophobicContact CG2-CD1 3.98Å; V193-Y202 HydrophobicContact CG2-CD2 3.88Å; V193-Y202 HydrophobicContact CG2-CE1 4.26Å; V193-Y202 HydrophobicContact CG2-CE2 4.17Å; V193-Y202 HydrophobicContact CG2-CG 3.79Å; V193-A206 HydrophobicContact CG2-CB 3.75Å
194	I	90.1	Very high	87.5	Confident	16 Å²	16	49.3 Å²	49.3	8%	0.082	26%	0.256	C	S	.	.	H	α-helix	trans	-77.3	-42.6	177.6	-51.3	174	0	0	0	110.4	F182 M189 A190 P191 E192 A196 M197 L234 I237 A238	F182-I194 HydrophobicContact CE2-CG1 4.46Å; M189-I194 HydrophobicContact CB-CD1 4.37Å; M189-I194 HydrophobicContact CB-CG1 4.23Å; A190-I194 PolarHBondContact O-N 2.94Å; P191-I194 PolarHBondContact O-N 3.49Å; E192-I194 VanDerWaalsContact C-N 3.33Å; I194-A196 PolarHBondContact O-N 2.83Å; I194-M197 VanDerWaalsContact O-CG 3.23Å; I194-M197 WeakPolarHBondContact O-CG 3.45Å; I194-M197 PolarHBondContact O-N 3.08Å; I194-L234 HydrophobicContact CD1-CB 4.35Å; I194-L234 HydrophobicContact CD1-CD2 3.62Å; I194-L234 HydrophobicContact CG1-CD2 3.8Å; I194-L234 HydrophobicContact CG2-CB 4.37Å; I194-L234 HydrophobicContact CG2-CD2 4.45Å; I194-I237 HydrophobicContact CD1-CB 3.74Å; I194-I237 HydrophobicContact CD1-CD1 4.41Å; I194-I237 HydrophobicContact CD1-CG2 3.57Å; I194-A238 HydrophobicContact CG2-CB 4.2Å
195	L	86.4	Confident	87.9	Confident	119 Å²	119	49.8 Å²	49.8	62%	0.623	25%	0.252	S	S	*	.	H	α-helix	trans	-69.5	-17.8	176	-66.3	169.7	0	0	0	112.8	P191 M197 A238	P191-L195 WeakPolarHBondContact O-CB 3.43Å; P191-L195 VanDerWaalsContact O-CG 3.29Å; P191-L195 WeakPolarHBondContact O-CG 3.41Å; P191-L195 PolarHBondContact O-N 3.35Å; L195-M197 VanDerWaalsContact C-N 3.28Å; L195-M197 PolarHBondContact O-N 2.62Å; L195-A238 HydrophobicContact CD2-CB 4.5Å
196	A	81.4	Confident	88.1	Confident	5 Å²	5	48.2 Å²	48.2	4%	0.041	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-3	176.1	0	0	0	0	0	115.3	E192 I194 D198 G200 Y202	E192-A196 WeakPolarHBondContact O-CB 3.3Å; E192-A196 PolarHBondContact O-N 3.31Å; I194-A196 PolarHBondContact O-N 2.83Å; A196-D198 VanDerWaalsContact C-N 3.29Å; A196-D198 PolarHBondContact O-N 2.81Å; A196-D198 VanDerWaalsContact O-N 3.13Å; A196-G200 PolarHBondContact O-N 3.49Å; A196-Y202 HydrophobicContact CB-CD1 3.98Å
197	M	70.4	Confident	88.3	Confident	103 Å²	103	46.6 Å²	46.6	51%	0.507	23%	0.232	S	C	.	.	S	Bend	trans	-54.7	-33.4	-171.3	-81.1	179.5	69.7	0	0	116	F182 I194 L195	F182-M197 HydrophobicContact CB-CG 4.09Å; F182-M197 HydrophobicContact CD2-CG 3.27Å; F182-M197 HydrophobicContact CD2-SD 3.73Å; F182-M197 HydrophobicContact CE2-CG 3.79Å; F182-M197 HydrophobicContact CE2-SD 3.58Å; F182-M197 VanDerWaalsContact CE2-SD 3.58Å; F182-M197 HydrophobicContact CG-CG 3.76Å; F182-M197 HydrophobicContact CG-SD 4.3Å; F182-M197 HydrophobicContact CZ-SD 4.06Å; I194-M197 VanDerWaalsContact O-CG 3.23Å; I194-M197 WeakPolarHBondContact O-CG 3.45Å; I194-M197 PolarHBondContact O-N 3.08Å; L195-M197 VanDerWaalsContact C-N 3.28Å; L195-M197 PolarHBondContact O-N 2.62Å
198	D	60.2	Low	88.4	Confident	136 Å²	136	44.7 Å²	44.7	73%	0.727	23%	0.225	S	C	*	.	S	Bend	trans	-97.1	-53.7	180	-68.6	-69.2	0	0	0	113	A196 K511	A196-D198 VanDerWaalsContact C-N 3.29Å; A196-D198 PolarHBondContact O-N 2.81Å; A196-D198 VanDerWaalsContact O-N 3.13Å; D198-K511 IonicContact OD1-NZ 3.74Å
199	E	67.8	Low	88.4	Confident	191 Å²	191	43.9 Å²	43.9	89%	0.893	22%	0.222	S	C	*	.	S	Bend	trans	-140.2	1.8	-176.5	-63.2	-167.5	153.9	0	0	115.8
200	G	76	Confident	88.5	Confident	25 Å²	25	43.9 Å²	43.9	26%	0.258	22%	0.222	S	C	.	.			trans	-83.2	172.8	-168.8	0	0	0	0	0	115.3	Q180 A196	Q180-G200 WeakPolarHBondContact CB-O 3.33Å; A196-G200 PolarHBondContact O-N 3.49Å
201	K	88.4	Confident	88.7	Confident	147 Å²	147	43.8 Å²	43.8	64%	0.639	22%	0.222	S	C	*	.			trans	-136	145.5	173.2	-64.3	-178.8	-176	176.3	0	110.4	P178 A179 Q180	P178-K201 HydrophobicContact CB-CB 4.05Å; A179-K201 CarbonylContact O-C 3.49Å; A179-K201 VanDerWaalsContact O-CA 3.29Å; A179-K201 WeakPolarHBondContact O-CA 3.31Å; Q180-K201 HydrophobicContact CB-CG 4.37Å
202	Y	91.7	Very high	88.9	Confident	7 Å²	7	43.7 Å²	43.7	3%	0.027	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-129.9	156	176.9	58.2	-94.4	0	0	0	110.8	I148 R150 P178 A179 S181 V193 A196 A206	I148-Y202 HydrophobicContact CD1-CD2 4.38Å; I148-Y202 HydrophobicContact CD1-CE2 4.27Å; R150-Y202 WeakPolarHBondContact CD-OH 3.47Å; R150-Y202 HydrophobicContact CG-CE2 4.28Å; R150-Y202 PolarHBondContact NH1-OH 3.05Å; P178-Y202 CarbonylContact C-O 3.49Å; P178-Y202 VanDerWaalsContact CA-O 3.32Å; P178-Y202 WeakPolarHBondContact CA-O 3.47Å; P178-Y202 WeakPolarHBondContact CB-O 3.48Å; A179-Y202 HydrophobicContact CB-CD2 4.39Å; A179-Y202 HydrophobicContact CB-CE1 4.47Å; A179-Y202 HydrophobicContact CB-CE2 3.72Å; A179-Y202 PolarHBondContact N-O 3.36Å; A179-Y202 WeakPolarHBondContact O-CD1 3.47Å; A179-Y202 PolarHBondContact O-N 3.37Å; S181-Y202 PolarHBondContact O-OH 3.37Å; V193-Y202 HydrophobicContact CB-CD1 4.21Å; V193-Y202 HydrophobicContact CB-CE1 4.34Å; V193-Y202 HydrophobicContact CG1-CD1 4.21Å; V193-Y202 HydrophobicContact CG1-CE1 3.83Å; V193-Y202 HydrophobicContact CG2-CD1 3.98Å; V193-Y202 HydrophobicContact CG2-CD2 3.88Å; V193-Y202 HydrophobicContact CG2-CE1 4.26Å; V193-Y202 HydrophobicContact CG2-CE2 4.17Å; V193-Y202 HydrophobicContact CG2-CG 3.79Å; A196-Y202 HydrophobicContact CB-CD1 3.98Å; Y202-A206 HydrophobicContact CD2-CB 4.17Å
203	D	93.2	Very high	89.2	Confident	43 Å²	43	42.8 Å²	42.8	23%	0.23	22%	0.217	C	C	.	.			trans	-105.8	-169.3	-177.6	80.3	-15.1	0	0	0	112	K205 A206	D203-K205 PolarHBondContact O-N 3.38Å; D203-K205 VanDerWaalsContact OD1-CB 3.25Å; D203-K205 WeakPolarHBondContact OD1-CB 3.34Å; D203-K205 PolarHBondContact OD1-N 2.67Å; D203-A206 PolarHBondContact O-N 3.08Å
204	Q	94.7	Very high	89.4	Confident	54 Å²	54	42.4 Å²	42.4	25%	0.252	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-12.3	178	70.2	-78.8	-9.7	0	0	115	H143 I148 C177 A206 D207	H143-Q204 HydrophobicContact CB-CB 4.35Å; H143-Q204 HydrophobicContact CB-CG 4.02Å; H143-Q204 PolarHBondContact NE2-O 3.17Å; I148-Q204 HydrophobicContact CG1-CB 4.25Å; C177-Q204 PolarHBondContact SG-OE1 3.45Å; Q204-A206 PolarHBondContact O-N 3.27Å; Q204-D207 PolarHBondContact O-N 3.07Å; Q204-D207 VanDerWaalsContact O-N 3.16Å
205	K	96.6	Very high	89.8	Confident	31 Å²	31	41.7 Å²	41.7	14%	0.135	21%	0.21	C	C	.	.	H	α-helix	trans	-72.7	-9.4	177.7	-61.9	-178.3	177.9	-165.5	0	112.8	D203 D207 V208 W209 P266 V267 R269	D203-K205 PolarHBondContact O-N 3.38Å; D203-K205 VanDerWaalsContact OD1-CB 3.25Å; D203-K205 WeakPolarHBondContact OD1-CB 3.34Å; D203-K205 PolarHBondContact OD1-N 2.67Å; K205-D207 PolarHBondContact O-N 3.28Å; K205-V208 PolarHBondContact O-N 2.6Å; K205-W209 PolarHBondContact O-N 2.99Å; K205-P266 WeakPolarHBondContact CD-O 3.31Å; K205-P266 WeakPolarHBondContact CE-O 3.21Å; K205-P266 PolarHBondContact NZ-O 3.12Å; K205-V267 PolarHBondContact NZ-O 2.97Å; K205-R269 WeakPolarHBondContact CE-O 3.36Å; K205-R269 PolarHBondContact NZ-O 3.27Å; K205-R269 PolarHBondContact O-NH1 3.15Å
206	A	96.6	Very high	90.3	Very high	3 Å²	3	36 Å²	36	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-56.8	-38.7	165.6	0	0	0	0	0	111.7	A190 E192 V193 Y202 D203 Q204 V208 W209 S210	A190-A206 HydrophobicContact CB-CB 4.18Å; E192-A206 WeakPolarHBondContact OE1-CA 3.36Å; V193-A206 HydrophobicContact CG2-CB 3.75Å; Y202-A206 HydrophobicContact CD2-CB 4.17Å; D203-A206 PolarHBondContact O-N 3.08Å; Q204-A206 PolarHBondContact O-N 3.27Å; A206-V208 VanDerWaalsContact C-N 3.3Å; A206-V208 PolarHBondContact O-N 2.73Å; A206-W209 PolarHBondContact O-N 3.48Å; A206-S210 PolarHBondContact O-N 2.96Å; A206-S210 PolarHBondContact O-OG 3.37Å
207	D	97.7	Very high	91	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.5	-30	177	-69.9	-22.9	0	0	0	112.4	L139 H143 I148 H149 R150 I152 Q204 K205 S210 L211	L139-D207 HydrophobicContact CD1-CB 4.2Å; L139-D207 HydrophobicContact CD2-CB 3.86Å; H143-D207 IonicContact CD2-OD2 2.63Å; I148-D207 VanDerWaalsContact CG2-OD2 3.31Å; I148-D207 WeakPolarHBondContact CG2-OD2 3.48Å; H149-D207 WeakPolarHBondContact CB-OD2 3.26Å; H149-D207 PolarHBondContact N-OD1 3.48Å; H149-D207 PolarHBondContact N-OD2 2.76Å; R150-D207 WeakPolarHBondContact CA-OD1 3.19Å; R150-D207 PolarHBondContact N-OD1 3.35Å; I152-D207 HydrophobicContact CG1-CB 4.37Å; Q204-D207 PolarHBondContact O-N 3.07Å; Q204-D207 VanDerWaalsContact O-N 3.16Å; K205-D207 PolarHBondContact O-N 3.28Å; D207-S210 PolarHBondContact O-N 3.25Å; D207-L211 WeakPolarHBondContact O-CB 3.4Å; D207-L211 PolarHBondContact O-N 3.09Å
208	V	98.2	Very high	92.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-72	-37.7	177.1	-178.1	0	0	0	0	111.1	K205 A206 L211 G212 C261 F270 T272	K205-V208 PolarHBondContact O-N 2.6Å; A206-V208 VanDerWaalsContact C-N 3.3Å; A206-V208 PolarHBondContact O-N 2.73Å; V208-L211 PolarHBondContact O-N 2.93Å; V208-G212 PolarHBondContact O-N 3.21Å; V208-C261 HydrophobicContact CG1-CB 4.12Å; V208-F270 WeakPolarHBondContact CG1-O 3.17Å; V208-T272 HydrophobicContact CG2-CG2 4.04Å
209	W	98.1	Very high	94	Very high	3 Å²	3	25 Å²	25	1%	0.011	12%	0.124	C	C	.	.	H	α-helix	trans	-63.1	-48.1	170	173.5	-75.6	0	0	0	111.2	M189 A190 P191 K205 A206 L211 G212 I213 I237 C261 L262 K264	M189-W209 PolarHBondContact O-NE1 3.32Å; A190-W209 VanDerWaalsContact CA-CD1 3.42Å; A190-W209 HydrophobicContact CB-CB 3.66Å; A190-W209 HydrophobicContact CB-CD2 4.2Å; A190-W209 HydrophobicContact CB-CG 3.58Å; P191-W209 HydrophobicContact CG-CE3 4.22Å; P191-W209 HydrophobicContact CG-CH2 3.57Å; P191-W209 HydrophobicContact CG-CZ2 3.9Å; P191-W209 HydrophobicContact CG-CZ3 3.73Å; K205-W209 PolarHBondContact O-N 2.99Å; A206-W209 PolarHBondContact O-N 3.48Å; W209-L211 VanDerWaalsContact C-N 3.25Å; W209-L211 PolarHBondContact O-N 3.08Å; W209-G212 WeakPolarHBondContact O-CA 3.49Å; W209-G212 PolarHBondContact O-N 3.19Å; W209-I213 PolarHBondContact O-N 3.2Å; W209-I237 HydrophobicContact CZ2-CG2 4.04Å; W209-C261 WeakPolarHBondContact CA-O 3.33Å; W209-L262 HydrophobicContact CD2-CD2 3.62Å; W209-L262 HydrophobicContact CE3-CB 4.36Å; W209-L262 HydrophobicContact CE3-CD2 3.92Å; W209-L262 HydrophobicContact CG-CD2 3.93Å; W209-L262 HydrophobicContact CZ2-CD2 4.3Å; W209-L262 HydrophobicContact CZ3-CB 4.28Å; W209-L262 HydrophobicContact CZ3-CD2 4.39Å; W209-L262 WeakPolarHBondContact CZ3-O 3.25Å; W209-L262 WeakPolarHBondContact O-CD2 3.14Å; W209-K264 HydrophobicContact CH2-CG 4.11Å; W209-K264 HydrophobicContact CZ3-CG 3.97Å
210	S	98.1	Very high	95.3	Very high	5 Å²	5	18.8 Å²	18.8	4%	0.035	9%	0.094	C	C	.	.	H	α-helix	trans	-59.9	-36	177.3	-59.2	0	0	0	0	112.1	W188 A206 D207 T214	W188-S210 WeakPolarHBondContact O-CA 3.08Å; W188-S210 WeakPolarHBondContact O-CB 3.33Å; W188-S210 PolarHBondContact O-OG 3.29Å; A206-S210 PolarHBondContact O-N 2.96Å; A206-S210 PolarHBondContact O-OG 3.37Å; D207-S210 PolarHBondContact O-N 3.25Å; S210-T214 WeakPolarHBondContact O-CB 3.35Å; S210-T214 PolarHBondContact O-N 3.02Å; S210-T214 PolarHBondContact O-OG1 3.44Å
211	L	98.2	Very high	96.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.4	-42.3	169.4	177.6	61.9	0	0	0	112.4	C132 V135 L136 L139 I152 D207 V208 W209 I213 T214 C215	C132-L211 HydrophobicContact CB-CD1 4.21Å; V135-L211 HydrophobicContact CB-CD1 4.44Å; V135-L211 HydrophobicContact CG1-CD1 3.76Å; V135-L211 HydrophobicContact CG1-CD2 4.47Å; L136-L211 HydrophobicContact CD1-CD2 4.48Å; L136-L211 HydrophobicContact CD2-CD2 3.5Å; L136-L211 VanDerWaalsContact CD2-CD2 3.5Å; L136-L211 HydrophobicContact CG-CD2 3.68Å; L139-L211 HydrophobicContact CD1-CD2 4.35Å; I152-L211 HydrophobicContact CG2-CB 4.36Å; D207-L211 WeakPolarHBondContact O-CB 3.4Å; D207-L211 PolarHBondContact O-N 3.09Å; V208-L211 PolarHBondContact O-N 2.93Å; W209-L211 VanDerWaalsContact C-N 3.25Å; W209-L211 PolarHBondContact O-N 3.08Å; L211-I213 PolarHBondContact O-N 3.35Å; L211-T214 CarbonylContact O-C 3.57Å; L211-T214 WeakPolarHBondContact O-CA 3.39Å; L211-T214 WeakPolarHBondContact O-CB 3.38Å; L211-T214 PolarHBondContact O-N 3.12Å; L211-C215 PolarHBondContact O-N 3.37Å; L211-C215 PolarHBondContact O-SG 2.96Å; L211-C215 VanDerWaalsContact O-SG 3.34Å
212	G	97.7	Very high	96.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-56.6	-48.5	174.3	0	0	0	0	0	112.2	V208 W209 T214 C215 I216	V208-G212 PolarHBondContact O-N 3.21Å; W209-G212 WeakPolarHBondContact O-CA 3.49Å; W209-G212 PolarHBondContact O-N 3.19Å; G212-T214 VanDerWaalsContact C-N 3.25Å; G212-T214 PolarHBondContact O-N 3.46Å; G212-C215 PolarHBondContact O-N 2.95Å; G212-I216 PolarHBondContact O-N 3.27Å; G212-I216 VanDerWaalsContact O-N 3.14Å
213	I	98.2	Very high	96.5	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.015	10%	0.097	C	C	.	.	H	α-helix	trans	-61.4	-35.5	172.8	-59.2	-59.3	0	0	0	111.2	W188 W209 L211 I216 E217 P223 P224 P243 L262	W188-I213 HydrophobicContact CB-CG2 4.35Å; W188-I213 HydrophobicContact CD2-CG2 4.5Å; W188-I213 HydrophobicContact CG-CB 4.4Å; W188-I213 HydrophobicContact CG-CG2 3.85Å; W209-I213 PolarHBondContact O-N 3.2Å; L211-I213 PolarHBondContact O-N 3.35Å; I213-I216 WeakPolarHBondContact O-CB 3.32Å; I213-I216 PolarHBondContact O-N 3.36Å; I213-E217 PolarHBondContact O-N 3.38Å; I213-P223 HydrophobicContact CG2-CB 3.63Å; I213-P224 HydrophobicContact CD1-CG 4.4Å; I213-P243 HydrophobicContact CD1-CG 3.71Å; I213-L262 HydrophobicContact CD1-CD1 4.09Å; I213-L262 HydrophobicContact CD1-CD2 3.69Å; I213-L262 HydrophobicContact CG1-CD2 3.88Å
214	T	98	Very high	96.5	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-71	-40	178.5	-55.4	0	0	0	0	112.8	I152 K153 A154 I157 S210 L211 G212 I216 E217 L218	I152-T214 PolarHBondContact O-OG1 2.89Å; K153-T214 WeakPolarHBondContact CA-OG1 3.47Å; A154-T214 HydrophobicContact CB-CG2 4.27Å; I157-T214 HydrophobicContact CD1-CG2 3.57Å; S210-T214 WeakPolarHBondContact O-CB 3.35Å; S210-T214 PolarHBondContact O-N 3.02Å; S210-T214 PolarHBondContact O-OG1 3.44Å; L211-T214 CarbonylContact O-C 3.57Å; L211-T214 WeakPolarHBondContact O-CA 3.39Å; L211-T214 WeakPolarHBondContact O-CB 3.38Å; L211-T214 PolarHBondContact O-N 3.12Å; G212-T214 VanDerWaalsContact C-N 3.25Å; G212-T214 PolarHBondContact O-N 3.46Å; T214-I216 VanDerWaalsContact C-N 3.25Å; T214-I216 PolarHBondContact O-N 3.46Å; T214-E217 WeakPolarHBondContact O-CB 3.47Å; T214-E217 PolarHBondContact O-N 2.96Å; T214-E217 VanDerWaalsContact O-N 3.11Å; T214-L218 HydrophobicContact CG2-CD1 4.46Å; T214-L218 VanDerWaalsContact O-CG 3.32Å; T214-L218 WeakPolarHBondContact O-CG 3.49Å; T214-L218 PolarHBondContact O-N 3.19Å
215	C	97.8	Very high	96.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-69	-26.1	174.9	-48.1	0	0	0	0	110.6	I128 C132 L211 G212 A219 F254	I128-C215 HydrophobicContact CG2-CB 3.99Å; C132-C215 WeakPolarHBondContact CB-SG 3.38Å; C132-C215 WeakPolarHBondContact SG-CB 3.38Å; C132-C215 CovalentContact SG-SG 2.08Å; C132-C215 PolarHBondContact SG-SG 3.23Å; L211-C215 PolarHBondContact O-N 3.37Å; L211-C215 PolarHBondContact O-SG 2.96Å; L211-C215 VanDerWaalsContact O-SG 3.34Å; G212-C215 PolarHBondContact O-N 2.95Å; C215-A219 WeakPolarHBondContact O-CB 3.25Å; C215-A219 PolarHBondContact O-N 2.77Å; C215-F254 HydrophobicContact CB-CE2 4Å; C215-F254 HydrophobicContact CB-CZ 4.39Å
216	I	97.4	Very high	96.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67	-46.4	163.6	-63	176.4	0	0	0	111.3	G212 I213 T214 L218 A219 E220 P224 L245 V258 L262	G212-I216 PolarHBondContact O-N 3.27Å; G212-I216 VanDerWaalsContact O-N 3.14Å; I213-I216 WeakPolarHBondContact O-CB 3.32Å; I213-I216 PolarHBondContact O-N 3.36Å; T214-I216 VanDerWaalsContact C-N 3.25Å; T214-I216 PolarHBondContact O-N 3.46Å; I216-L218 PolarHBondContact O-N 3.36Å; I216-A219 CarbonylContact O-C 3.56Å; I216-A219 WeakPolarHBondContact O-CA 3.41Å; I216-A219 WeakPolarHBondContact O-CB 3.46Å; I216-A219 PolarHBondContact O-N 2.83Å; I216-E220 HydrophobicContact CG2-CB 4.47Å; I216-E220 HydrophobicContact CG2-CG 4.13Å; I216-E220 PolarHBondContact O-N 3.21Å; I216-P224 HydrophobicContact CD1-CG 4.27Å; I216-P224 HydrophobicContact CG2-CG 4.15Å; I216-L245 HydrophobicContact CB-CD2 4.37Å; I216-L245 HydrophobicContact CG1-CD2 3.94Å; I216-L245 HydrophobicContact CG1-CG 4.36Å; I216-L245 HydrophobicContact CG2-CD2 4.47Å; I216-V258 HydrophobicContact CD1-CG1 3.78Å; I216-V258 HydrophobicContact CG1-CG1 3.75Å; I216-L262 HydrophobicContact CD1-CD1 3.6Å
217	E	96.9	Very high	95.8	Very high	9 Å²	9	29.6 Å²	29.6	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-55.2	-39.3	177.8	-178.1	-171.8	-175.1	0	0	111.9	L116 A154 W188 I213 T214 A219 K221	L116-E217 HydrophobicContact CD1-CG 4.3Å; A154-E217 HydrophobicContact CB-CG 4.16Å; A154-E217 WeakPolarHBondContact CB-OE1 3.33Å; A154-E217 VanDerWaalsContact CB-OE2 3.29Å; A154-E217 WeakPolarHBondContact CB-OE2 3.45Å; A154-E217 PolarHBondContact N-OE2 3.2Å; W188-E217 HydrophobicContact CZ2-CG 4.48Å; W188-E217 WeakPolarHBondContact CZ2-OE2 3.29Å; W188-E217 PolarHBondContact NE1-OE2 3.46Å; I213-E217 PolarHBondContact O-N 3.38Å; T214-E217 WeakPolarHBondContact O-CB 3.47Å; T214-E217 PolarHBondContact O-N 2.96Å; T214-E217 VanDerWaalsContact O-N 3.11Å; E217-A219 VanDerWaalsContact C-N 3.33Å; E217-K221 CarbonylContact O-C 3.5Å; E217-K221 WeakPolarHBondContact O-CA 3.46Å; E217-K221 PolarHBondContact O-N 2.89Å
218	L	96.5	Very high	95.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-71.6	-25.5	176.1	-60.9	167.7	0	0	0	113.3	A112 L116 L123 I128 A154 T214 I216	A112-L218 HydrophobicContact CB-CD2 3.89Å; L116-L218 HydrophobicContact CD1-CD2 4.1Å; L116-L218 HydrophobicContact CG-CD2 4.4Å; L123-L218 HydrophobicContact CD1-CD2 3.91Å; L123-L218 PolarHBondContact N-O 2.62Å; L123-L218 VanDerWaalsContact N-O 3.09Å; I128-L218 HydrophobicContact CD1-CB 3.98Å; I128-L218 HydrophobicContact CG1-CB 3.88Å; I128-L218 HydrophobicContact CG2-CB 4.29Å; I128-L218 HydrophobicContact CG2-CD1 4.19Å; A154-L218 HydrophobicContact CB-CD2 4.02Å; T214-L218 HydrophobicContact CG2-CD1 4.46Å; T214-L218 VanDerWaalsContact O-CG 3.32Å; T214-L218 WeakPolarHBondContact O-CG 3.49Å; T214-L218 PolarHBondContact O-N 3.19Å; I216-L218 PolarHBondContact O-N 3.36Å
219	A	96.2	Very high	94.9	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.033	18%	0.181	C	C	.	.	H	α-helix	trans	-89.3	-26.2	178.5	0	0	0	0	0	113.8	P122 I128 C215 I216 E217 L245 W250 F254	P122-A219 WeakPolarHBondContact CB-O 3.24Å; P122-A219 WeakPolarHBondContact CG-O 3.44Å; I128-A219 HydrophobicContact CD1-CB 4.02Å; C215-A219 WeakPolarHBondContact O-CB 3.25Å; C215-A219 PolarHBondContact O-N 2.77Å; I216-A219 CarbonylContact O-C 3.56Å; I216-A219 WeakPolarHBondContact O-CA 3.41Å; I216-A219 WeakPolarHBondContact O-CB 3.46Å; I216-A219 PolarHBondContact O-N 2.83Å; E217-A219 VanDerWaalsContact C-N 3.33Å; A219-L245 HydrophobicContact CB-CD2 3.58Å; A219-W250 HydrophobicContact CB-CH2 4.23Å; A219-W250 HydrophobicContact CB-CZ2 3.61Å; A219-F254 HydrophobicContact CB-CE1 4.08Å; A219-F254 HydrophobicContact CB-CZ 4.12Å
220	E	94.4	Very high	94.3	Very high	60 Å²	60	38.2 Å²	38.2	28%	0.28	19%	0.194	S	C	.	.	H	α-helix	trans	-122.3	-1	-174.4	-57.1	-165.1	166.5	0	0	113.4	I216 K222 S246	I216-E220 HydrophobicContact CG2-CB 4.47Å; I216-E220 HydrophobicContact CG2-CG 4.13Å; I216-E220 PolarHBondContact O-N 3.21Å; E220-K222 PolarHBondContact O-N 3.01Å; E220-S246 VanDerWaalsContact OE1-CB 3.28Å; E220-S246 WeakPolarHBondContact OE1-CB 3.37Å; E220-S246 PolarHBondContact OE1-N 2.89Å; E220-S246 PolarHBondContact OE1-OG 2.84Å
221	K	93.2	Very high	93.8	Very high	95 Å²	95	44.4 Å²	44.4	41%	0.413	22%	0.224	S	C	.	.	S	Bend	trans	69.2	-2.9	-176.4	-51.5	173.8	-74.6	178.6	0	115.7	L116 R120 E217	L116-K221 HydrophobicContact CD2-CG 4.25Å; R120-K221 VanDerWaalsContact O-CD 3.27Å; R120-K221 WeakPolarHBondContact O-CD 3.43Å; R120-K221 PolarHBondContact O-NZ 3.4Å; E217-K221 CarbonylContact O-C 3.5Å; E217-K221 WeakPolarHBondContact O-CA 3.46Å; E217-K221 PolarHBondContact O-N 2.89Å
222	K	93.4	Very high	93.3	Very high	119 Å²	119	46.5 Å²	46.5	52%	0.517	24%	0.239	S	C	.	.	S	Bend	trans	-151.3	151.6	-180	-70.1	-174.1	171	-175.6	0	109.2	E220 F226	E220-K222 PolarHBondContact O-N 3.01Å; K222-F226 HydrophobicContact CB-CB 4.33Å; K222-F226 HydrophobicContact CB-CG 4.43Å; K222-F226 HydrophobicContact CD-CB 4.49Å; K222-F226 HydrophobicContact CD-CD1 3.64Å; K222-F226 HydrophobicContact CD-CE1 4.12Å; K222-F226 HydrophobicContact CD-CG 4.18Å; K222-F226 HydrophobicContact CG-CD1 4.38Å
223	P	95.5	Very high	92.9	Very high	8 Å²	8	46.5 Å²	46.5	5%	0.052	24%	0.239	C	C	.	.			trans	-69.8	161.8	169.5	33.7	-38	0	0	0	110.7	Y187 W188 I213 F226	Y187-P223 HydrophobicContact CG-CG 4.35Å; W188-P223 HydrophobicContact CD2-CB 4.41Å; W188-P223 HydrophobicContact CD2-CG 4.47Å; W188-P223 HydrophobicContact CH2-CG 3.68Å; W188-P223 HydrophobicContact CZ2-CB 4.08Å; W188-P223 HydrophobicContact CZ2-CG 3.61Å; W188-P223 HydrophobicContact CZ3-CG 4.14Å; I213-P223 HydrophobicContact CG2-CB 3.63Å; P223-F226 HydrophobicContact CG-CB 4.18Å; P223-F226 HydrophobicContact CG-CD2 3.77Å; P223-F226 HydrophobicContact CG-CG 4.41Å; P223-F226 WeakPolarHBondContact O-CB 3.32Å
224	P	93.6	Very high	92.6	Very high	26 Å²	26	46.9 Å²	46.9	17%	0.169	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	153.5	167.6	-25.9	36.8	0	0	0	112.3	I213 I216 F226 P243	I213-P224 HydrophobicContact CD1-CG 4.4Å; I216-P224 HydrophobicContact CD1-CG 4.27Å; I216-P224 HydrophobicContact CG2-CG 4.15Å; P224-F226 PolarHBondContact O-N 2.84Å; P224-P243 HydrophobicContact CB-CB 3.85Å; P224-P243 HydrophobicContact CB-CG 4.09Å; P224-P243 HydrophobicContact CG-CB 3.6Å; P224-P243 HydrophobicContact CG-CG 3.75Å
225	L	91.6	Very high	92.1	Very high	52 Å²	52	51.1 Å²	51.1	27%	0.272	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	8.2	176.6	-45.1	173.5	0	0	0	115.9	Y187 N227 M228 A233 H236 I237	Y187-L225 WeakPolarHBondContact CE1-O 3.44Å; L225-N227 PolarHBondContact O-N 3.5Å; L225-M228 HydrophobicContact CB-CG 4.37Å; L225-M228 HydrophobicContact CB-SD 4.2Å; L225-M228 HydrophobicContact CD2-SD 3.91Å; L225-M228 VanDerWaalsContact O-CB 3.3Å; L225-M228 WeakPolarHBondContact O-CB 2.85Å; L225-M228 WeakPolarHBondContact O-CG 3.25Å; L225-M228 PolarHBondContact O-N 3.24Å; L225-A233 HydrophobicContact CB-CB 4.15Å; L225-A233 HydrophobicContact CD1-CB 4.43Å; L225-H236 HydrophobicContact CD1-CB 3.68Å; L225-H236 HydrophobicContact CD2-CB 4.44Å; L225-I237 HydrophobicContact CD1-CG1 3.88Å
226	F	90.7	Very high	91.7	Very high	88 Å²	88	53.9 Å²	53.9	39%	0.386	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-14	-180	-167.3	-89.3	0	0	0	114.5	Y187 K222 P223 P224 M228	Y187-F226 HydrophobicContact CD2-CD2 4.39Å; Y187-F226 HydrophobicContact CE2-CD2 4.46Å; K222-F226 HydrophobicContact CB-CB 4.33Å; K222-F226 HydrophobicContact CB-CG 4.43Å; K222-F226 HydrophobicContact CD-CB 4.49Å; K222-F226 HydrophobicContact CD-CD1 3.64Å; K222-F226 HydrophobicContact CD-CE1 4.12Å; K222-F226 HydrophobicContact CD-CG 4.18Å; K222-F226 HydrophobicContact CG-CD1 4.38Å; P223-F226 HydrophobicContact CG-CB 4.18Å; P223-F226 HydrophobicContact CG-CD2 3.77Å; P223-F226 HydrophobicContact CG-CG 4.41Å; P223-F226 WeakPolarHBondContact O-CB 3.32Å; P224-F226 PolarHBondContact O-N 2.84Å; F226-M228 VanDerWaalsContact C-N 3.28Å
227	N	89.4	Confident	91.5	Very high	149 Å²	149	54.6 Å²	54.6	80%	0.797	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-7.3	171.3	63.9	-46.6	0	0	0	113.6	L225	L225-N227 PolarHBondContact O-N 3.5Å
228	M	88.4	Confident	91.2	Very high	54 Å²	54	54.9 Å²	54.9	27%	0.266	28%	0.278	S	S	.	.	S	Bend	trans	-100.7	163.6	-179.9	-50.4	-168.9	76.3	0	0	110.9	Y187 L225 F226	Y187-M228 PolarHBondContact OH-O 3.24Å; Y187-M228 VanDerWaalsContact OH-O 3.11Å; L225-M228 HydrophobicContact CB-CG 4.37Å; L225-M228 HydrophobicContact CB-SD 4.2Å; L225-M228 HydrophobicContact CD2-SD 3.91Å; L225-M228 VanDerWaalsContact O-CB 3.3Å; L225-M228 WeakPolarHBondContact O-CB 2.85Å; L225-M228 WeakPolarHBondContact O-CG 3.25Å; L225-M228 PolarHBondContact O-N 3.24Å; F226-M228 VanDerWaalsContact C-N 3.28Å
229	N	89.8	Confident	90.8	Very high	94 Å²	94	59.2 Å²	59.2	50%	0.503	30%	0.298	S	S	.	.			trans	-75.2	158.6	167.2	74.2	76.4	0	0	0	110.4	M231 S232 A233	N229-M231 PolarHBondContact O-N 2.71Å; N229-M231 PolarHBondContact OD1-N 3.41Å; N229-S232 PolarHBondContact ND2-OG 3.03Å; N229-S232 PolarHBondContact O-N 3.04Å; N229-S232 PolarHBondContact OD1-N 3.05Å; N229-S232 PolarHBondContact OD1-OG 2.83Å; N229-A233 PolarHBondContact O-N 2.76Å
230	A	86.4	Confident	90.6	Very high	36 Å²	36	62.7 Å²	62.7	30%	0.298	32%	0.316	S	S	.	.	H	α-helix	trans	-54.9	-44.4	-176.3	0	0	0	0	0	114.3	P186 A233 L234	P186-A230 HydrophobicContact CB-CB 4.03Å; P186-A230 HydrophobicContact CG-CB 3.94Å; A230-A233 PolarHBondContact O-N 3.23Å; A230-L234 VanDerWaalsContact O-CG 3.23Å; A230-L234 WeakPolarHBondContact O-CG 3.3Å; A230-L234 PolarHBondContact O-N 3.31Å
231	M	86.2	Confident	90.4	Very high	136 Å²	136	67.1 Å²	67.1	67%	0.67	34%	0.341	S	S	*	.	H	α-helix	trans	-66.6	-40.2	-178.9	-69.8	-57.5	-60.2	0	0	112.2	N229 L234 Y235	N229-M231 PolarHBondContact O-N 2.71Å; N229-M231 PolarHBondContact OD1-N 3.41Å; M231-L234 HydrophobicContact SD-CD1 4.14Å; M231-Y235 PolarHBondContact O-N 3.46Å; M231-Y235 VanDerWaalsContact O-N 3.15Å
232	S	88.5	Confident	90.4	Very high	43 Å²	43	65 Å²	65	30%	0.301	34%	0.339	S	S	.	.	H	α-helix	trans	-67.9	-39.2	174	-58.7	0	0	0	0	111.8	N229 Y235 H236	N229-S232 PolarHBondContact ND2-OG 3.03Å; N229-S232 PolarHBondContact O-N 3.04Å; N229-S232 PolarHBondContact OD1-N 3.05Å; N229-S232 PolarHBondContact OD1-OG 2.83Å; S232-Y235 PolarHBondContact O-N 3.09Å; S232-H236 PolarHBondContact O-CD2 3.37Å; S232-H236 VanDerWaalsContact O-CD2 3.29Å; S232-H236 PolarHBondContact O-N 2.71Å
233	A	89.3	Confident	90.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-45.6	175.4	0	0	0	0	0	111.9	Y187 L225 N229 A230 Y235 H236 I237	Y187-A233 HydrophobicContact CD1-CB 3.71Å; Y187-A233 HydrophobicContact CE1-CB 3.65Å; L225-A233 HydrophobicContact CB-CB 4.15Å; L225-A233 HydrophobicContact CD1-CB 4.43Å; N229-A233 PolarHBondContact O-N 2.76Å; A230-A233 PolarHBondContact O-N 3.23Å; A233-Y235 VanDerWaalsContact C-N 3.35Å; A233-Y235 PolarHBondContact O-N 3.11Å; A233-H236 PolarHBondContact O-N 3.35Å; A233-I237 WeakPolarHBondContact O-CG1 3.35Å; A233-I237 PolarHBondContact O-N 2.95Å
234	L	90.8	Very high	90.4	Very high	11 Å²	11	65 Å²	65	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-57.7	-44.7	175.5	-70	163.8	0	0	0	112.1	F182 P186 M189 I194 A230 M231 H236 I237 A238	F182-L234 HydrophobicContact CE2-CD2 4.26Å; F182-L234 HydrophobicContact CZ-CD1 3.84Å; F182-L234 HydrophobicContact CZ-CD2 3.98Å; P186-L234 HydrophobicContact CB-CD1 4.44Å; P186-L234 HydrophobicContact CB-CD2 4.09Å; P186-L234 HydrophobicContact CB-CG 4.11Å; M189-L234 HydrophobicContact SD-CD2 3.82Å; I194-L234 HydrophobicContact CD1-CB 4.35Å; I194-L234 HydrophobicContact CD1-CD2 3.62Å; I194-L234 HydrophobicContact CG1-CD2 3.8Å; I194-L234 HydrophobicContact CG2-CB 4.37Å; I194-L234 HydrophobicContact CG2-CD2 4.45Å; A230-L234 VanDerWaalsContact O-CG 3.23Å; A230-L234 WeakPolarHBondContact O-CG 3.3Å; A230-L234 PolarHBondContact O-N 3.31Å; M231-L234 HydrophobicContact SD-CD1 4.14Å; L234-H236 PolarHBondContact O-N 3.13Å; L234-I237 PolarHBondContact O-N 3.17Å; L234-A238 WeakPolarHBondContact O-CB 3.28Å; L234-A238 PolarHBondContact O-N 2.91Å
235	Y	88.6	Confident	90.3	Very high	89 Å²	89	64 Å²	64	35%	0.349	35%	0.347	S	S	.	.	H	α-helix	trans	-60.8	-43.6	175.9	-175.7	-95.5	0	0	0	112	M231 S232 A233 A238 Q239 K813	M231-Y235 PolarHBondContact O-N 3.46Å; M231-Y235 VanDerWaalsContact O-N 3.15Å; S232-Y235 PolarHBondContact O-N 3.09Å; A233-Y235 VanDerWaalsContact C-N 3.35Å; A233-Y235 PolarHBondContact O-N 3.11Å; Y235-A238 PolarHBondContact O-N 3.23Å; Y235-Q239 HydrophobicContact CD1-CG 4.29Å; Y235-Q239 HydrophobicContact CD2-CG 4.19Å; Y235-Q239 HydrophobicContact CE1-CB 4.46Å; Y235-Q239 HydrophobicContact CE1-CG 4.01Å; Y235-Q239 HydrophobicContact CE2-CG 3.9Å; Y235-Q239 HydrophobicContact CG-CG 4.38Å; Y235-Q239 WeakPolarHBondContact O-CB 3.31Å; Y235-Q239 VanDerWaalsContact O-CG 3.29Å; Y235-Q239 WeakPolarHBondContact O-CG 3.47Å; Y235-Q239 PolarHBondContact O-N 3.46Å; Y235-K813 WeakPolarHBondContact OH-CE 3.48Å; Y235-K813 PolarHBondContact OH-NZ 3.48Å
236	H	89.9	Confident	90.2	Very high	58 Å²	58	66 Å²	66	27%	0.269	37%	0.365	S	S	.	.	H	α-helix	trans	-65.8	-42.5	177	-87.5	-85.2	0	0	0	112.7	L225 S232 A233 L234 A238 Q239 N240	L225-H236 HydrophobicContact CD1-CB 3.68Å; L225-H236 HydrophobicContact CD2-CB 4.44Å; S232-H236 PolarHBondContact O-CD2 3.37Å; S232-H236 VanDerWaalsContact O-CD2 3.29Å; S232-H236 PolarHBondContact O-N 2.71Å; A233-H236 PolarHBondContact O-N 3.35Å; L234-H236 PolarHBondContact O-N 3.13Å; H236-A238 VanDerWaalsContact C-N 3.32Å; H236-A238 PolarHBondContact O-N 3.07Å; H236-Q239 PolarHBondContact O-N 3.09Å; H236-N240 PolarHBondContact ND1-ND2 3.37Å; H236-N240 VanDerWaalsContact O-CB 3.31Å; H236-N240 WeakPolarHBondContact O-CB 3.28Å; H236-N240 PolarHBondContact O-N 3.02Å
237	I	92.9	Very high	90	Very high	16 Å²	16	63.8 Å²	63.8	8%	0.082	36%	0.36	C	S	.	.	H	α-helix	trans	-61.1	-42	176.5	-66.2	162.9	0	0	0	111.1	P186 P191 I194 W209 L225 A233 L234 K264	P186-I237 VanDerWaalsContact O-CD1 3.31Å; P186-I237 WeakPolarHBondContact O-CD1 3.39Å; P191-I237 HydrophobicContact CG-CG2 4.05Å; I194-I237 HydrophobicContact CD1-CB 3.74Å; I194-I237 HydrophobicContact CD1-CD1 4.41Å; I194-I237 HydrophobicContact CD1-CG2 3.57Å; W209-I237 HydrophobicContact CZ2-CG2 4.04Å; L225-I237 HydrophobicContact CD1-CG1 3.88Å; A233-I237 WeakPolarHBondContact O-CG1 3.35Å; A233-I237 PolarHBondContact O-N 2.95Å; L234-I237 PolarHBondContact O-N 3.17Å; I237-K264 PolarHBondContact O-NZ 3.05Å
238	A	89.9	Confident	89.6	Confident	14 Å²	14	64.1 Å²	64.1	12%	0.116	36%	0.362	C	S	.	.	H	α-helix	trans	-67.5	-45.5	177.7	0	0	0	0	0	112.4	I194 L195 L234 Y235 H236 K264	I194-A238 HydrophobicContact CG2-CB 4.2Å; L195-A238 HydrophobicContact CD2-CB 4.5Å; L234-A238 WeakPolarHBondContact O-CB 3.28Å; L234-A238 PolarHBondContact O-N 2.91Å; Y235-A238 PolarHBondContact O-N 3.23Å; H236-A238 VanDerWaalsContact C-N 3.32Å; H236-A238 PolarHBondContact O-N 3.07Å; A238-K264 PolarHBondContact O-NZ 3.25Å
239	Q	88.6	Confident	89.7	Confident	91 Å²	91	67.8 Å²	67.8	43%	0.425	38%	0.38	S	S	.	.	H	α-helix	trans	-94.1	-37.3	-167.9	-61.4	-67.3	-68.6	0	0	115.1	Y235 H236	Y235-Q239 HydrophobicContact CD1-CG 4.29Å; Y235-Q239 HydrophobicContact CD2-CG 4.19Å; Y235-Q239 HydrophobicContact CE1-CB 4.46Å; Y235-Q239 HydrophobicContact CE1-CG 4.01Å; Y235-Q239 HydrophobicContact CE2-CG 3.9Å; Y235-Q239 HydrophobicContact CG-CG 4.38Å; Y235-Q239 WeakPolarHBondContact O-CB 3.31Å; Y235-Q239 VanDerWaalsContact O-CG 3.29Å; Y235-Q239 WeakPolarHBondContact O-CG 3.47Å; Y235-Q239 PolarHBondContact O-N 3.46Å; H236-Q239 PolarHBondContact O-N 3.09Å
240	N	90.8	Very high	89.9	Confident	78 Å²	78	64.5 Å²	64.5	42%	0.417	36%	0.36	S	S	.	.	S	Bend	trans	-89.9	171.2	-174.8	-68	29.6	0	0	0	112.1	H236 K264	H236-N240 PolarHBondContact ND1-ND2 3.37Å; H236-N240 VanDerWaalsContact O-CB 3.31Å; H236-N240 WeakPolarHBondContact O-CB 3.28Å; H236-N240 PolarHBondContact O-N 3.02Å; N240-K264 PolarHBondContact O-NZ 2.85Å
241	D	91	Very high	90.3	Very high	152 Å²	152	64.1 Å²	64.1	81%	0.813	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-61.9	157.5	173.7	-55.6	-56.9	0	0	0	112.8
242	S	92.8	Very high	90.7	Very high	52 Å²	52	64.4 Å²	64.4	36%	0.364	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-63.1	136.2	176.7	47.2	0	0	0	0	111.7	L262	S242-L262 WeakPolarHBondContact CB-O 3.32Å; S242-L262 PolarHBondContact OG-O 3.33Å
243	P	94.7	Very high	91.1	Very high	41 Å²	41	65 Å²	65	27%	0.266	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-69.4	153.7	177.3	29.2	-33	0	0	0	111.7	I213 P224 L262	I213-P243 HydrophobicContact CD1-CG 3.71Å; P224-P243 HydrophobicContact CB-CB 3.85Å; P224-P243 HydrophobicContact CB-CG 4.09Å; P224-P243 HydrophobicContact CG-CB 3.6Å; P224-P243 HydrophobicContact CG-CG 3.75Å; P243-L262 HydrophobicContact CG-CD1 4.26Å; P243-L262 VanDerWaalsContact O-CD1 3.25Å; P243-L262 WeakPolarHBondContact O-CD1 3.48Å
244	S	94.1	Very high	91.4	Very high	86 Å²	86	65 Å²	65	60%	0.601	36%	0.36	S	S	*	.			trans	-126.2	169.2	174.8	58.1	0	0	0	0	110.7	S246	S244-S246 PolarHBondContact O-N 3Å
245	L	92.5	Very high	91.7	Very high	5 Å²	5	67 Å²	67	3%	0.026	37%	0.369	C	S	.	.			trans	-64.3	126.4	170	-69.2	166.7	0	0	0	109.5	I216 A219 S247 W250 F254 H255 V258	I216-L245 HydrophobicContact CB-CD2 4.37Å; I216-L245 HydrophobicContact CG1-CD2 3.94Å; I216-L245 HydrophobicContact CG1-CG 4.36Å; I216-L245 HydrophobicContact CG2-CD2 4.47Å; A219-L245 HydrophobicContact CB-CD2 3.58Å; L245-S247 VanDerWaalsContact C-N 3.3Å; L245-S247 PolarHBondContact O-N 3.34Å; L245-W250 HydrophobicContact CD1-CB 4.28Å; L245-W250 HydrophobicContact CD1-CG 4.12Å; L245-F254 HydrophobicContact CD1-CD1 3.81Å; L245-F254 HydrophobicContact CD1-CD2 4.17Å; L245-F254 HydrophobicContact CD1-CE1 3.81Å; L245-F254 HydrophobicContact CD1-CE2 4.17Å; L245-F254 HydrophobicContact CD1-CG 3.97Å; L245-F254 HydrophobicContact CD1-CZ 3.98Å; L245-F254 HydrophobicContact CD2-CE1 4.38Å; L245-F254 HydrophobicContact CD2-CZ 4.29Å; L245-H255 VanDerWaalsContact C-CE1 3.42Å; L245-H255 WeakPolarHBondContact CB-CE1 3.49Å; L245-H255 PolarHBondContact O-CE1 3.38Å; L245-V258 HydrophobicContact CD1-CB 4.5Å; L245-V258 HydrophobicContact CD1-CG2 4.04Å; L245-V258 HydrophobicContact CG-CG1 4.47Å; L245-V258 HydrophobicContact CG-CG2 4.31Å
246	S	88.1	Confident	92	Very high	93 Å²	93	64.5 Å²	64.5	65%	0.65	37%	0.365	S	S	*	.	S	Bend	trans	-77.1	-11.7	-173	63.8	0	0	0	0	115	E220 S244	E220-S246 VanDerWaalsContact OE1-CB 3.28Å; E220-S246 WeakPolarHBondContact OE1-CB 3.37Å; E220-S246 PolarHBondContact OE1-N 2.89Å; E220-S246 PolarHBondContact OE1-OG 2.84Å; S244-S246 PolarHBondContact O-N 3Å
247	S	86.6	Confident	92.4	Very high	42 Å²	42	61.8 Å²	61.8	29%	0.294	35%	0.352	S	S	.	.			trans	-118.5	128.4	-172.6	-175.2	0	0	0	0	112.4	L245 M249 H255	L245-S247 VanDerWaalsContact C-N 3.3Å; L245-S247 PolarHBondContact O-N 3.34Å; S247-M249 PolarHBondContact O-N 2.69Å; S247-M249 WeakPolarHBondContact OG-CG 3.41Å; S247-M249 PolarHBondContact OG-SD 3.16Å; S247-M249 VanDerWaalsContact OG-SD 3.38Å; S247-H255 PolarHBondContact O-CE1 3.22Å; S247-H255 PolarHBondContact O-NE2 3Å
248	N	82.6	Confident	92.6	Very high	156 Å²	156	61.1 Å²	61.1	83%	0.834	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	16.7	176.8	-58.4	2.2	0	0	0	113.2	H255	N248-H255 VanDerWaalsContact CA-NE2 3.34Å; N248-H255 WeakPolarHBondContact CA-NE2 3.31Å
249	M	89.6	Confident	92.9	Very high	131 Å²	131	63.1 Å²	63.1	65%	0.645	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-12	178.5	72.5	-172.7	-78.5	0	0	114.1	S247	S247-M249 PolarHBondContact O-N 2.69Å; S247-M249 WeakPolarHBondContact OG-CG 3.41Å; S247-M249 PolarHBondContact OG-SD 3.16Å; S247-M249 VanDerWaalsContact OG-SD 3.38Å
250	W	94.3	Very high	93.4	Very high	24 Å²	24	61.8 Å²	61.8	9%	0.091	36%	0.359	C	S	.	.	S	Bend	trans	-90.9	153.2	-179.2	-55.4	116.4	0	0	0	110.7	P122 E125 I128 A219 L245 F254 H255	P122-W250 HydrophobicContact CB-CH2 4.18Å; P122-W250 HydrophobicContact CB-CZ2 4.34Å; E125-W250 HydrophobicContact CB-CE3 4.04Å; E125-W250 HydrophobicContact CB-CZ3 4.05Å; E125-W250 HydrophobicContact CG-CE3 4.43Å; I128-W250 HydrophobicContact CD1-CH2 4.43Å; A219-W250 HydrophobicContact CB-CH2 4.23Å; A219-W250 HydrophobicContact CB-CZ2 3.61Å; L245-W250 HydrophobicContact CD1-CB 4.28Å; L245-W250 HydrophobicContact CD1-CG 4.12Å; W250-F254 HydrophobicContact CB-CB 4.45Å; W250-F254 HydrophobicContact CB-CD1 3.82Å; W250-F254 AromaticContact CD2-CD1 3.84Å; W250-F254 HydrophobicContact CD2-CD1 3.84Å; W250-F254 AromaticContact CD2-CE1 3.84Å; W250-F254 HydrophobicContact CD2-CE1 3.84Å; W250-F254 AromaticContact CE3-CD1 3.79Å; W250-F254 HydrophobicContact CE3-CD1 3.79Å; W250-F254 AromaticContact CE3-CE1 3.85Å; W250-F254 HydrophobicContact CE3-CE1 3.85Å; W250-F254 AromaticContact CG-CD1 3.86Å; W250-F254 HydrophobicContact CG-CD1 3.86Å; W250-F254 HydrophobicContact CG-CE1 4.16Å; W250-F254 HydrophobicContact CZ3-CE1 4.34Å; W250-H255 PolarHBondContact O-NE2 3.46Å
251	S	94.9	Very high	93.7	Very high	29 Å²	29	58.1 Å²	58.1	20%	0.203	34%	0.339	C	S	.	.			trans	-66.2	153.4	177	64.9	0	0	0	0	112.9	E125 D253 F254 H255	E125-S251 WeakPolarHBondContact OE1-CB 3.47Å; E125-S251 PolarHBondContact OE1-OG 3.19Å; E125-S251 PolarHBondContact OE2-N 3.06Å; E125-S251 PolarHBondContact OE2-OG 3.12Å; S251-D253 PolarHBondContact O-N 3.07Å; S251-F254 PolarHBondContact O-N 3.17Å; S251-F254 PolarHBondContact OG-N 2.67Å; S251-H255 PolarHBondContact O-CD2 3.2Å; S251-H255 PolarHBondContact O-N 3.22Å
252	D	94.3	Very high	94	Very high	141 Å²	141	50.9 Å²	50.9	75%	0.754	30%	0.3	S	S	*	.	H	α-helix	trans	-56.8	-32.5	172.7	-56.6	-60	0	0	0	111.7	S256	D252-S256 WeakPolarHBondContact O-CB 3.17Å; D252-S256 PolarHBondContact O-N 2.82Å
253	D	95.7	Very high	94.2	Very high	57 Å²	57	51.4 Å²	51.4	31%	0.305	30%	0.299	S	S	.	.	H	α-helix	trans	-58.8	-44.7	171	-84.4	-21.3	0	0	0	112	S251 F257 H278 P279 F280	S251-D253 PolarHBondContact O-N 3.07Å; D253-F257 WeakPolarHBondContact O-CB 3.42Å; D253-F257 PolarHBondContact O-N 3.06Å; D253-H278 PolarHBondContact O-CE1 3.26Å; D253-P279 VanDerWaalsContact OD1-CB 3.32Å; D253-P279 WeakPolarHBondContact OD1-CB 3.28Å; D253-F280 HydrophobicContact CB-CB 4.15Å
254	F	97	Very high	94.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-73.2	-42.5	-179.5	-172.8	-160.8	0	0	0	111.5	E125 I128 C215 A219 L245 W250 S251 S256 F257 V258 F280	E125-F254 HydrophobicContact CG-CB 4.29Å; E125-F254 HydrophobicContact CG-CD1 3.94Å; E125-F254 HydrophobicContact CG-CG 4.33Å; I128-F254 HydrophobicContact CD1-CE1 4.06Å; I128-F254 HydrophobicContact CD1-CZ 4.07Å; I128-F254 HydrophobicContact CG2-CE2 4.21Å; I128-F254 HydrophobicContact CG2-CZ 3.89Å; C215-F254 HydrophobicContact CB-CE2 4Å; C215-F254 HydrophobicContact CB-CZ 4.39Å; A219-F254 HydrophobicContact CB-CE1 4.08Å; A219-F254 HydrophobicContact CB-CZ 4.12Å; L245-F254 HydrophobicContact CD1-CD1 3.81Å; L245-F254 HydrophobicContact CD1-CD2 4.17Å; L245-F254 HydrophobicContact CD1-CE1 3.81Å; L245-F254 HydrophobicContact CD1-CE2 4.17Å; L245-F254 HydrophobicContact CD1-CG 3.97Å; L245-F254 HydrophobicContact CD1-CZ 3.98Å; L245-F254 HydrophobicContact CD2-CE1 4.38Å; L245-F254 HydrophobicContact CD2-CZ 4.29Å; W250-F254 HydrophobicContact CB-CB 4.45Å; W250-F254 HydrophobicContact CB-CD1 3.82Å; W250-F254 AromaticContact CD2-CD1 3.84Å; W250-F254 HydrophobicContact CD2-CD1 3.84Å; W250-F254 AromaticContact CD2-CE1 3.84Å; W250-F254 HydrophobicContact CD2-CE1 3.84Å; W250-F254 AromaticContact CE3-CD1 3.79Å; W250-F254 HydrophobicContact CE3-CD1 3.79Å; W250-F254 AromaticContact CE3-CE1 3.85Å; W250-F254 HydrophobicContact CE3-CE1 3.85Å; W250-F254 AromaticContact CG-CD1 3.86Å; W250-F254 HydrophobicContact CG-CD1 3.86Å; W250-F254 HydrophobicContact CG-CE1 4.16Å; W250-F254 HydrophobicContact CZ3-CE1 4.34Å; S251-F254 PolarHBondContact O-N 3.17Å; S251-F254 PolarHBondContact OG-N 2.67Å; F254-S256 PolarHBondContact O-N 2.9Å; F254-F257 PolarHBondContact O-N 3.18Å; F254-V258 HydrophobicContact CD2-CG2 3.83Å; F254-V258 HydrophobicContact CE2-CG2 3.52Å; F254-V258 HydrophobicContact CZ-CG2 4.38Å; F254-V258 WeakPolarHBondContact O-CG2 3.28Å; F254-V258 PolarHBondContact O-N 3.26Å; F254-F280 HydrophobicContact CB-CD2 3.66Å; F254-F280 HydrophobicContact CB-CE2 3.55Å; F254-F280 HydrophobicContact CB-CZ 4.35Å; F254-F280 HydrophobicContact CD1-CE2 4.18Å; F254-F280 HydrophobicContact CD1-CZ 4.48Å; F254-F280 HydrophobicContact CD2-CD1 4.39Å; F254-F280 HydrophobicContact CD2-CD2 4.06Å; F254-F280 AromaticContact CD2-CE1 3.82Å; F254-F280 HydrophobicContact CD2-CE1 3.82Å; F254-F280 AromaticContact CD2-CE2 3.43Å; F254-F280 HydrophobicContact CD2-CE2 3.43Å; F254-F280 VanDerWaalsContact CD2-CE2 3.43Å; F254-F280 AromaticContact CD2-CZ 3.29Å; F254-F280 HydrophobicContact CD2-CZ 3.29Å; F254-F280 HydrophobicContact CE2-CE1 4.14Å; F254-F280 HydrophobicContact CE2-CE2 4.19Å; F254-F280 AromaticContact CE2-CZ 3.65Å; F254-F280 HydrophobicContact CE2-CZ 3.65Å; F254-F280 HydrophobicContact CG-CD2 4.05Å; F254-F280 AromaticContact CG-CE2 3.45Å; F254-F280 HydrophobicContact CG-CE2 3.45Å; F254-F280 VanDerWaalsContact CG-CE2 3.45Å; F254-F280 AromaticContact CG-CZ 3.8Å; F254-F280 HydrophobicContact CG-CZ 3.8Å; F254-F280 HydrophobicContact CZ-CZ 4.4Å
255	H	96.5	Very high	94	Very high	51 Å²	51	51.8 Å²	51.8	24%	0.236	29%	0.289	C	S	.	.	H	α-helix	trans	-57.6	-47.1	171.7	-81.9	-79.5	0	0	0	111.8	L245 S247 N248 W250 S251 F257 V258 A259	L245-H255 VanDerWaalsContact C-CE1 3.42Å; L245-H255 WeakPolarHBondContact CB-CE1 3.49Å; L245-H255 PolarHBondContact O-CE1 3.38Å; S247-H255 PolarHBondContact O-CE1 3.22Å; S247-H255 PolarHBondContact O-NE2 3Å; N248-H255 VanDerWaalsContact CA-NE2 3.34Å; N248-H255 WeakPolarHBondContact CA-NE2 3.31Å; W250-H255 PolarHBondContact O-NE2 3.46Å; S251-H255 PolarHBondContact O-CD2 3.2Å; S251-H255 PolarHBondContact O-N 3.22Å; H255-F257 PolarHBondContact O-N 3.05Å; H255-V258 PolarHBondContact O-N 3.44Å; H255-A259 WeakPolarHBondContact O-CB 3.2Å; H255-A259 PolarHBondContact O-N 3.15Å
256	S	96.2	Very high	94.1	Very high	38 Å²	38	53.1 Å²	53.1	27%	0.266	30%	0.298	S	S	.	.	H	α-helix	trans	-58.8	-46.6	175	175.2	0	0	0	0	111.8	D252 F254 V258 A259 H260 H278	D252-S256 WeakPolarHBondContact O-CB 3.17Å; D252-S256 PolarHBondContact O-N 2.82Å; F254-S256 PolarHBondContact O-N 2.9Å; S256-V258 PolarHBondContact O-N 3.01Å; S256-A259 PolarHBondContact O-N 2.93Å; S256-H260 PolarHBondContact O-N 3.46Å; S256-H260 PolarHBondContact O-ND1 3.16Å; S256-H260 PolarHBondContact OG-CE1 3.24Å; S256-H260 PolarHBondContact OG-ND1 2.88Å; S256-H278 PolarHBondContact OG-NE2 2.95Å
257	F	97.5	Very high	94.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-47.1	179.8	-179.7	-98.2	0	0	0	111.9	L136 D253 F254 H255 H260 C261 C275 H278 F280 I281	L136-F257 HydrophobicContact CD1-CE2 4.29Å; L136-F257 HydrophobicContact CD1-CZ 4.07Å; D253-F257 WeakPolarHBondContact O-CB 3.42Å; D253-F257 PolarHBondContact O-N 3.06Å; F254-F257 PolarHBondContact O-N 3.18Å; H255-F257 PolarHBondContact O-N 3.05Å; F257-H260 PolarHBondContact O-N 2.97Å; F257-C261 PolarHBondContact O-N 2.93Å; F257-C261 VanDerWaalsContact O-N 3.12Å; F257-C261 PolarHBondContact O-SG 3.08Å; F257-C275 HydrophobicContact CE2-CB 3.88Å; F257-C275 HydrophobicContact CZ-CB 4.33Å; F257-H278 HydrophobicContact CD2-CB 4.06Å; F257-H278 AromaticContact CD2-CG 3.94Å; F257-H278 AromaticContact CD2-ND1 3.83Å; F257-F280 HydrophobicContact CB-CB 3.88Å; F257-F280 HydrophobicContact CB-CD1 3.76Å; F257-F280 HydrophobicContact CB-CG 3.98Å; F257-F280 AromaticContact CD1-CD1 3.58Å; F257-F280 HydrophobicContact CD1-CD1 3.58Å; F257-F280 AromaticContact CD1-CE1 3.78Å; F257-F280 HydrophobicContact CD1-CE1 3.78Å; F257-F280 AromaticContact CD2-CD1 4Å; F257-F280 HydrophobicContact CD2-CD1 4Å; F257-F280 HydrophobicContact CE1-CD1 4.19Å; F257-F280 HydrophobicContact CE1-CE1 4.2Å; F257-F280 HydrophobicContact CG-CB 4.28Å; F257-F280 AromaticContact CG-CD1 3.47Å; F257-F280 HydrophobicContact CG-CD1 3.47Å; F257-F280 VanDerWaalsContact CG-CD1 3.47Å; F257-F280 HydrophobicContact CG-CE1 4.16Å; F257-F280 HydrophobicContact CG-CG 4.18Å; F257-I281 HydrophobicContact CD2-CD1 4.49Å; F257-I281 HydrophobicContact CD2-CG1 3.91Å; F257-I281 HydrophobicContact CE1-CD1 4.42Å; F257-I281 HydrophobicContact CE2-CD1 3.94Å; F257-I281 HydrophobicContact CE2-CG1 3.46Å; F257-I281 VanDerWaalsContact CE2-CG1 3.46Å; F257-I281 HydrophobicContact CZ-CD1 3.91Å; F257-I281 HydrophobicContact CZ-CG1 3.97Å
258	V	97.4	Very high	94.7	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-43.2	178.3	170.8	0	0	0	0	111	I216 L245 F254 H255 S256 H260 C261 L262	I216-V258 HydrophobicContact CD1-CG1 3.78Å; I216-V258 HydrophobicContact CG1-CG1 3.75Å; L245-V258 HydrophobicContact CD1-CB 4.5Å; L245-V258 HydrophobicContact CD1-CG2 4.04Å; L245-V258 HydrophobicContact CG-CG1 4.47Å; L245-V258 HydrophobicContact CG-CG2 4.31Å; F254-V258 HydrophobicContact CD2-CG2 3.83Å; F254-V258 HydrophobicContact CE2-CG2 3.52Å; F254-V258 HydrophobicContact CZ-CG2 4.38Å; F254-V258 WeakPolarHBondContact O-CG2 3.28Å; F254-V258 PolarHBondContact O-N 3.26Å; H255-V258 PolarHBondContact O-N 3.44Å; S256-V258 PolarHBondContact O-N 3.01Å; V258-H260 PolarHBondContact O-N 3.34Å; V258-C261 PolarHBondContact O-N 3.41Å; V258-L262 HydrophobicContact CG1-CD1 3.67Å; V258-L262 HydrophobicContact CG1-CG 4.43Å; V258-L262 WeakPolarHBondContact O-CB 3.4Å; V258-L262 WeakPolarHBondContact O-CG 3.45Å; V258-L262 PolarHBondContact O-N 2.82Å
259	A	96.6	Very high	95.4	Very high	56 Å²	56	49.1 Å²	49.1	46%	0.463	28%	0.275	S	S	.	.	H	α-helix	trans	-59.2	-47.3	177.6	0	0	0	0	0	112.6	H255 S256 C261 L262 L263	H255-A259 WeakPolarHBondContact O-CB 3.2Å; H255-A259 PolarHBondContact O-N 3.15Å; S256-A259 PolarHBondContact O-N 2.93Å; A259-C261 VanDerWaalsContact C-N 3.31Å; A259-C261 PolarHBondContact O-N 2.86Å; A259-L262 CarbonylContact O-C 3.6Å; A259-L262 PolarHBondContact O-N 3.35Å; A259-L262 VanDerWaalsContact O-N 3.12Å; A259-L263 PolarHBondContact O-N 3.32Å
260	H	97	Very high	95.6	Very high	64 Å²	64	44.8 Å²	44.8	30%	0.296	25%	0.253	S	S	.	.	H	α-helix	trans	-67.9	-28.2	178.6	-70.3	94.7	0	0	0	113.5	S256 F257 V258 F270	S256-H260 PolarHBondContact O-N 3.46Å; S256-H260 PolarHBondContact O-ND1 3.16Å; S256-H260 PolarHBondContact OG-CE1 3.24Å; S256-H260 PolarHBondContact OG-ND1 2.88Å; F257-H260 PolarHBondContact O-N 2.97Å; V258-H260 PolarHBondContact O-N 3.34Å; H260-F270 HydrophobicContact CB-CD1 4.12Å; H260-F270 HydrophobicContact CB-CD2 3.66Å; H260-F270 HydrophobicContact CB-CE1 4.05Å; H260-F270 HydrophobicContact CB-CE2 3.58Å; H260-F270 HydrophobicContact CB-CG 3.93Å; H260-F270 HydrophobicContact CB-CZ 3.78Å; H260-F270 AromaticContact CD2-CE1 3.36Å; H260-F270 WeakPolarHBondContact CD2-CE1 3.32Å; H260-F270 AromaticContact CD2-CZ 3.28Å; H260-F270 WeakPolarHBondContact CD2-CZ 3.47Å; H260-F270 AromaticContact CG-CE1 3.89Å; H260-F270 AromaticContact CG-CE2 3.72Å; H260-F270 AromaticContact CG-CZ 3.49Å; H260-F270 VanDerWaalsContact CG-CZ 3.49Å; H260-F270 AromaticContact NE2-CZ 3.88Å; H260-F270 PolarHBondContact O-N 2.83Å
261	C	97.5	Very high	95.7	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-74.2	-27	172	-64.6	0	0	0	0	112.6	V208 W209 F257 V258 A259 R269	V208-C261 HydrophobicContact CG1-CB 4.12Å; W209-C261 WeakPolarHBondContact CA-O 3.33Å; F257-C261 PolarHBondContact O-N 2.93Å; F257-C261 VanDerWaalsContact O-N 3.12Å; F257-C261 PolarHBondContact O-SG 3.08Å; V258-C261 PolarHBondContact O-N 3.41Å; A259-C261 VanDerWaalsContact C-N 3.31Å; A259-C261 PolarHBondContact O-N 2.86Å; C261-R269 VanDerWaalsContact O-CD 3.24Å; C261-R269 WeakPolarHBondContact O-CD 3.32Å; C261-R269 WeakPolarHBondContact O-CG 3.4Å
262	L	97.5	Very high	95.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	20.8	-175	-62.6	178.4	0	0	0	113.9	W209 I213 I216 S242 P243 V258 A259 K264	W209-L262 HydrophobicContact CD2-CD2 3.62Å; W209-L262 HydrophobicContact CE3-CB 4.36Å; W209-L262 HydrophobicContact CE3-CD2 3.92Å; W209-L262 HydrophobicContact CG-CD2 3.93Å; W209-L262 HydrophobicContact CZ2-CD2 4.3Å; W209-L262 HydrophobicContact CZ3-CB 4.28Å; W209-L262 HydrophobicContact CZ3-CD2 4.39Å; W209-L262 WeakPolarHBondContact CZ3-O 3.25Å; W209-L262 WeakPolarHBondContact O-CD2 3.14Å; I213-L262 HydrophobicContact CD1-CD1 4.09Å; I213-L262 HydrophobicContact CD1-CD2 3.69Å; I213-L262 HydrophobicContact CG1-CD2 3.88Å; I216-L262 HydrophobicContact CD1-CD1 3.6Å; S242-L262 WeakPolarHBondContact CB-O 3.32Å; S242-L262 PolarHBondContact OG-O 3.33Å; P243-L262 HydrophobicContact CG-CD1 4.26Å; P243-L262 VanDerWaalsContact O-CD1 3.25Å; P243-L262 WeakPolarHBondContact O-CD1 3.48Å; V258-L262 HydrophobicContact CG1-CD1 3.67Å; V258-L262 HydrophobicContact CG1-CG 4.43Å; V258-L262 WeakPolarHBondContact O-CB 3.4Å; V258-L262 WeakPolarHBondContact O-CG 3.45Å; V258-L262 PolarHBondContact O-N 2.82Å; A259-L262 CarbonylContact O-C 3.6Å; A259-L262 PolarHBondContact O-N 3.35Å; A259-L262 VanDerWaalsContact O-N 3.12Å; L262-K264 PolarHBondContact O-N 3.35Å
263	L	96.7	Very high	95.8	Very high	63 Å²	63	42 Å²	42	33%	0.33	24%	0.237	S	C	.	.			trans	-62.9	124.6	167.4	-69.4	172.3	0	0	0	109.9	A259 D265 C268 R269	A259-L263 PolarHBondContact O-N 3.32Å; L263-D265 PolarHBondContact O-N 3.41Å; L263-C268 HydrophobicContact CD1-CB 4.17Å; L263-C268 WeakPolarHBondContact CD1-O 3.47Å; L263-R269 HydrophobicContact CB-CB 4.12Å; L263-R269 HydrophobicContact CB-CG 4.46Å; L263-R269 PolarHBondContact O-NE 3.49Å; L263-R269 PolarHBondContact O-NH2 3.29Å; L263-R269 VanDerWaalsContact O-NH2 3.13Å
264	K	93.6	Very high	95.9	Very high	65 Å²	65	43.3 Å²	43.3	28%	0.283	24%	0.241	S	C	.	.	S	Bend	trans	-65.7	-35.8	-175.8	-69	-167.3	67.6	175.3	0	113	P191 W209 I237 A238 N240 L262 P266 R269	P191-K264 HydrophobicContact CG-CB 4.48Å; P191-K264 HydrophobicContact CG-CG 4.24Å; W209-K264 HydrophobicContact CH2-CG 4.11Å; W209-K264 HydrophobicContact CZ3-CG 3.97Å; I237-K264 PolarHBondContact O-NZ 3.05Å; A238-K264 PolarHBondContact O-NZ 3.25Å; N240-K264 PolarHBondContact O-NZ 2.85Å; L262-K264 PolarHBondContact O-N 3.35Å; K264-P266 WeakPolarHBondContact O-CD 3.33Å; K264-R269 PolarHBondContact O-NH2 3Å
265	D	92.3	Very high	95.8	Very high	71 Å²	71	43.3 Å²	43.3	38%	0.38	24%	0.241	S	C	.	.	S	Bend	trans	-73.9	119.5	170.4	168.3	34.2	0	0	0	110.5	L263 V267 C268 R269	L263-D265 PolarHBondContact O-N 3.41Å; D265-V267 PolarHBondContact O-N 3.37Å; D265-V267 PolarHBondContact OD1-N 2.85Å; D265-V267 WeakPolarHBondContact OD2-CB 3.26Å; D265-C268 HydrophobicContact CB-CB 4.48Å; D265-C268 PolarHBondContact O-N 3.19Å; D265-C268 WeakPolarHBondContact OD2-CB 3.39Å; D265-C268 PolarHBondContact OD2-N 3.03Å; D265-C268 PolarHBondContact OD2-SG 3.11Å; D265-R269 PolarHBondContact O-N 3.43Å
266	P	93	Very high	95.8	Very high	33 Å²	33	42.3 Å²	42.3	21%	0.214	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.9	175.2	-21.6	34.4	0	0	0	113.2	E192 K205 K264 R269	E192-P266 HydrophobicContact CB-CG 3.93Å; E192-P266 HydrophobicContact CG-CG 3.76Å; K205-P266 WeakPolarHBondContact CD-O 3.31Å; K205-P266 WeakPolarHBondContact CE-O 3.21Å; K205-P266 PolarHBondContact NZ-O 3.12Å; K264-P266 WeakPolarHBondContact O-CD 3.33Å; P266-R269 PolarHBondContact O-N 2.48Å
267	V	92.8	Very high	95.8	Very high	121 Å²	121	45.6 Å²	45.6	73%	0.733	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-50.1	180	-175.8	0	0	0	0	109.9	K205 D265	K205-V267 PolarHBondContact NZ-O 2.97Å; D265-V267 PolarHBondContact O-N 3.37Å; D265-V267 PolarHBondContact OD1-N 2.85Å; D265-V267 WeakPolarHBondContact OD2-CB 3.26Å
268	C	94.8	Very high	95.8	Very high	83 Å²	83	46.4 Å²	46.4	56%	0.561	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-24.4	177.2	-64.4	0	0	0	0	115	L263 D265	L263-C268 HydrophobicContact CD1-CB 4.17Å; L263-C268 WeakPolarHBondContact CD1-O 3.47Å; D265-C268 HydrophobicContact CB-CB 4.48Å; D265-C268 PolarHBondContact O-N 3.19Å; D265-C268 WeakPolarHBondContact OD2-CB 3.39Å; D265-C268 PolarHBondContact OD2-N 3.03Å; D265-C268 PolarHBondContact OD2-SG 3.11Å
269	R	97	Very high	95.8	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.008	27%	0.271	C	S	.	.	S	Bend	trans	-62	140.4	177.3	-165.4	-172.9	-55.4	150.9	8.2	111.4	E192 K205 C261 L263 K264 D265 P266	E192-R269 IonicContact OE1-CZ 3.91Å; E192-R269 IonicContact OE1-NH1 2.88Å; E192-R269 PolarHBondContact OE1-NH1 3.44Å; E192-R269 IonicContact OE1-NH2 3.38Å; E192-R269 IonicContact OE2-CZ 3.85Å; E192-R269 IonicContact OE2-NH1 2.78Å; E192-R269 PolarHBondContact OE2-NH1 2.97Å; E192-R269 IonicContact OE2-NH2 3.49Å; E192-R269 PolarHBondContact OE2-NH2 3.39Å; K205-R269 WeakPolarHBondContact CE-O 3.36Å; K205-R269 PolarHBondContact NZ-O 3.27Å; K205-R269 PolarHBondContact O-NH1 3.15Å; C261-R269 VanDerWaalsContact O-CD 3.24Å; C261-R269 WeakPolarHBondContact O-CD 3.32Å; C261-R269 WeakPolarHBondContact O-CG 3.4Å; L263-R269 HydrophobicContact CB-CB 4.12Å; L263-R269 HydrophobicContact CB-CG 4.46Å; L263-R269 PolarHBondContact O-NE 3.49Å; L263-R269 PolarHBondContact O-NH2 3.29Å; L263-R269 VanDerWaalsContact O-NH2 3.13Å; K264-R269 PolarHBondContact O-NH2 3Å; D265-R269 PolarHBondContact O-N 3.43Å; P266-R269 PolarHBondContact O-N 2.48Å
270	F	95.8	Very high	95.8	Very high	40 Å²	40	46.9 Å²	46.9	18%	0.175	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-60.2	146.7	178.1	-77.8	0.7	0	0	0	113.2	V208 H260 E274 C275 H278	V208-F270 WeakPolarHBondContact CG1-O 3.17Å; H260-F270 HydrophobicContact CB-CD1 4.12Å; H260-F270 HydrophobicContact CB-CD2 3.66Å; H260-F270 HydrophobicContact CB-CE1 4.05Å; H260-F270 HydrophobicContact CB-CE2 3.58Å; H260-F270 HydrophobicContact CB-CG 3.93Å; H260-F270 HydrophobicContact CB-CZ 3.78Å; H260-F270 AromaticContact CD2-CE1 3.36Å; H260-F270 WeakPolarHBondContact CD2-CE1 3.32Å; H260-F270 AromaticContact CD2-CZ 3.28Å; H260-F270 WeakPolarHBondContact CD2-CZ 3.47Å; H260-F270 AromaticContact CG-CE1 3.89Å; H260-F270 AromaticContact CG-CE2 3.72Å; H260-F270 AromaticContact CG-CZ 3.49Å; H260-F270 VanDerWaalsContact CG-CZ 3.49Å; H260-F270 AromaticContact NE2-CZ 3.88Å; H260-F270 PolarHBondContact O-N 2.83Å; F270-E274 HydrophobicContact CB-CB 4.03Å; F270-E274 HydrophobicContact CD1-CB 4.25Å; F270-E274 HydrophobicContact CD2-CB 4.15Å; F270-E274 HydrophobicContact CG-CB 3.9Å; F270-C275 VanDerWaalsContact CB-SG 3.58Å; F270-H278 AromaticContact CE2-CD2 3.95Å
271	S	95.7	Very high	95.7	Very high	30 Å²	30	43.9 Å²	43.9	21%	0.21	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-77.9	165.1	160	68.9	0	0	0	0	111.5	E273 E274 C275	S271-E273 PolarHBondContact O-N 2.61Å; S271-E274 WeakPolarHBondContact CB-OE2 3.4Å; S271-E274 PolarHBondContact N-OE2 3.34Å; S271-E274 PolarHBondContact O-N 2.86Å; S271-E274 VanDerWaalsContact O-N 3.12Å; S271-E274 PolarHBondContact OG-N 3.15Å; S271-E274 PolarHBondContact OG-OE2 3.22Å; S271-C275 PolarHBondContact O-N 2.67Å; S271-C275 PolarHBondContact O-SG 3.32Å; S271-C275 VanDerWaalsContact O-SG 3.38Å
272	T	96.2	Very high	95.6	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.043	26%	0.263	C	S	.	.	H	α-helix	trans	-57.2	-31.8	174.1	39.6	0	0	0	0	113.5	L136 L139 H143 V208 L276	L136-T272 HydrophobicContact CD2-CG2 4.07Å; L139-T272 HydrophobicContact CB-CG2 3.62Å; L139-T272 HydrophobicContact CD1-CG2 4.48Å; H143-T272 WeakPolarHBondContact CE1-CB 3.43Å; H143-T272 WeakPolarHBondContact CE1-CG2 3.34Å; H143-T272 PolarHBondContact CE1-OG1 3.08Å; H143-T272 VanDerWaalsContact ND1-CG2 3.32Å; H143-T272 WeakPolarHBondContact ND1-CG2 3.28Å; H143-T272 PolarHBondContact ND1-OG1 3.21Å; H143-T272 WeakPolarHBondContact NE2-CG2 3.46Å; V208-T272 HydrophobicContact CG2-CG2 4.04Å; T272-L276 VanDerWaalsContact O-CG 3.28Å; T272-L276 WeakPolarHBondContact O-CG 3.48Å; T272-L276 PolarHBondContact O-N 3.41Å; T272-L276 VanDerWaalsContact O-N 3.08Å
273	E	95.4	Very high	95.3	Very high	98 Å²	98	55.3 Å²	55.3	46%	0.458	28%	0.282	S	S	.	.	H	α-helix	trans	-74	-34.2	177.8	-163	-171.3	137.8	0	0	112.3	S271 K277	S271-E273 PolarHBondContact O-N 2.61Å; E273-K277 WeakPolarHBondContact O-CD 3.4Å; E273-K277 VanDerWaalsContact O-CG 3.29Å; E273-K277 WeakPolarHBondContact O-CG 3.34Å; E273-K277 PolarHBondContact O-N 2.78Å; E273-K277 WeakPolarHBondContact OE1-CE 3.1Å; E273-K277 IonicContact OE1-NZ 3.74Å; E273-K277 PolarHBondContact OE1-NZ 3.37Å
274	E	96.4	Very high	95	Very high	86 Å²	86	57.9 Å²	57.9	40%	0.402	30%	0.303	S	S	.	.	H	α-helix	trans	-72.5	-42.2	174.6	-69.9	158.3	126.5	0	0	111.2	F270 S271 L276 K277 H278	F270-E274 HydrophobicContact CB-CB 4.03Å; F270-E274 HydrophobicContact CD1-CB 4.25Å; F270-E274 HydrophobicContact CD2-CB 4.15Å; F270-E274 HydrophobicContact CG-CB 3.9Å; S271-E274 WeakPolarHBondContact CB-OE2 3.4Å; S271-E274 PolarHBondContact N-OE2 3.34Å; S271-E274 PolarHBondContact O-N 2.86Å; S271-E274 VanDerWaalsContact O-N 3.12Å; S271-E274 PolarHBondContact OG-N 3.15Å; S271-E274 PolarHBondContact OG-OE2 3.22Å; E274-L276 VanDerWaalsContact C-N 3.31Å; E274-L276 PolarHBondContact O-N 2.96Å; E274-K277 WeakPolarHBondContact O-CA 3.25Å; E274-K277 WeakPolarHBondContact O-CB 3.43Å; E274-K277 PolarHBondContact O-N 2.85Å; E274-H278 PolarHBondContact O-N 3.12Å
275	C	96.4	Very high	94.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-55.7	-43.6	171.2	-69.7	0	0	0	0	112.1	L136 F257 F270 S271 K277 H278 I281	L136-C275 HydrophobicContact CD1-CB 3.63Å; L136-C275 HydrophobicContact CD2-CB 3.43Å; L136-C275 VanDerWaalsContact CD2-CB 3.43Å; L136-C275 HydrophobicContact CG-CB 4.18Å; F257-C275 HydrophobicContact CE2-CB 3.88Å; F257-C275 HydrophobicContact CZ-CB 4.33Å; F270-C275 VanDerWaalsContact CB-SG 3.58Å; S271-C275 PolarHBondContact O-N 2.67Å; S271-C275 PolarHBondContact O-SG 3.32Å; S271-C275 VanDerWaalsContact O-SG 3.38Å; C275-K277 PolarHBondContact O-N 3.22Å; C275-H278 WeakPolarHBondContact O-CB 3.3Å; C275-H278 PolarHBondContact O-N 3.38Å; C275-I281 WeakPolarHBondContact O-CG1 3.24Å
276	L	96.5	Very high	94.8	Very high	30 Å²	30	58 Å²	58	16%	0.157	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-20.1	174.9	-75.4	167.9	0	0	0	113.7	L136 Q137 Q140 T272 E274 I281	L136-L276 HydrophobicContact CB-CD1 4.47Å; L136-L276 HydrophobicContact CB-CD2 3.61Å; L136-L276 HydrophobicContact CB-CG 3.85Å; L136-L276 HydrophobicContact CD1-CD2 4.22Å; L136-L276 HydrophobicContact CD1-CG 4.35Å; Q137-L276 HydrophobicContact CG-CD2 3.99Å; Q140-L276 HydrophobicContact CB-CD1 4.29Å; Q140-L276 HydrophobicContact CG-CD1 4.48Å; T272-L276 VanDerWaalsContact O-CG 3.28Å; T272-L276 WeakPolarHBondContact O-CG 3.48Å; T272-L276 PolarHBondContact O-N 3.41Å; T272-L276 VanDerWaalsContact O-N 3.08Å; E274-L276 VanDerWaalsContact C-N 3.31Å; E274-L276 PolarHBondContact O-N 2.96Å; L276-I281 HydrophobicContact CD2-CG2 4.31Å
277	K	96.4	Very high	94.6	Very high	106 Å²	106	63.1 Å²	63.1	46%	0.461	34%	0.337	S	S	.	.	H	α-helix	trans	-88.4	-15.1	177.4	-71.2	164.8	-172.7	168.6	0	113.5	E273 E274 C275 K282	E273-K277 WeakPolarHBondContact O-CD 3.4Å; E273-K277 VanDerWaalsContact O-CG 3.29Å; E273-K277 WeakPolarHBondContact O-CG 3.34Å; E273-K277 PolarHBondContact O-N 2.78Å; E273-K277 WeakPolarHBondContact OE1-CE 3.1Å; E273-K277 IonicContact OE1-NZ 3.74Å; E273-K277 PolarHBondContact OE1-NZ 3.37Å; E274-K277 WeakPolarHBondContact O-CA 3.25Å; E274-K277 WeakPolarHBondContact O-CB 3.43Å; E274-K277 PolarHBondContact O-N 2.85Å; C275-K277 PolarHBondContact O-N 3.22Å; K277-K282 WeakPolarHBondContact O-CD 3.32Å; K277-K282 VanDerWaalsContact O-CE 3.3Å; K277-K282 WeakPolarHBondContact O-CE 3.45Å; K277-K282 PolarHBondContact O-NZ 2.84Å
278	H	97.5	Very high	94.6	Very high	18 Å²	18	59.6 Å²	59.6	8%	0.083	32%	0.318	C	S	.	.	S	Bend	trans	-68.9	144.2	-173.2	-169.1	-89.4	0	0	0	113.4	D253 S256 F257 F270 E274 C275 F280 I281 K282	D253-H278 PolarHBondContact O-CE1 3.26Å; S256-H278 PolarHBondContact OG-NE2 2.95Å; F257-H278 HydrophobicContact CD2-CB 4.06Å; F257-H278 AromaticContact CD2-CG 3.94Å; F257-H278 AromaticContact CD2-ND1 3.83Å; F270-H278 AromaticContact CE2-CD2 3.95Å; E274-H278 PolarHBondContact O-N 3.12Å; C275-H278 WeakPolarHBondContact O-CB 3.3Å; C275-H278 PolarHBondContact O-N 3.38Å; H278-F280 WeakPolarHBondContact ND1-CB 3.31Å; H278-F280 PolarHBondContact ND1-N 3.37Å; H278-F280 PolarHBondContact O-N 3.38Å; H278-I281 PolarHBondContact O-N 2.8Å; H278-I281 VanDerWaalsContact O-N 3.08Å; H278-K282 PolarHBondContact O-N 3.24Å; H278-K282 VanDerWaalsContact O-N 3.08Å
279	P	95.9	Very high	94.7	Very high	67 Å²	67	56.3 Å²	56.3	44%	0.435	30%	0.295	S	S	.	.	H	α-helix	trans	-50.2	-49	179.8	-32.2	37.7	0	0	0	115.3	D253 I281 K282 R283	D253-P279 VanDerWaalsContact OD1-CB 3.32Å; D253-P279 WeakPolarHBondContact OD1-CB 3.28Å; P279-I281 PolarHBondContact O-N 3.31Å; P279-I281 VanDerWaalsContact O-N 3.15Å; P279-K282 CarbonylContact O-C 3.54Å; P279-K282 PolarHBondContact O-N 3.39Å; P279-R283 PolarHBondContact O-N 3.07Å
280	F	96.5	Very high	94.6	Very high	1 Å²	1	56.7 Å²	56.7	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-46.5	-44.8	174.9	177.3	-113.4	0	0	0	113.5	E125 I128 A129 D253 F254 F257 H278	E125-F280 HydrophobicContact CG-CE2 3.79Å; I128-F280 HydrophobicContact CG2-CZ 4.31Å; A129-F280 HydrophobicContact CB-CD2 4.31Å; A129-F280 HydrophobicContact CB-CE1 4.03Å; A129-F280 HydrophobicContact CB-CE2 3.79Å; A129-F280 HydrophobicContact CB-CZ 3.64Å; D253-F280 HydrophobicContact CB-CB 4.15Å; F254-F280 HydrophobicContact CB-CD2 3.66Å; F254-F280 HydrophobicContact CB-CE2 3.55Å; F254-F280 HydrophobicContact CB-CZ 4.35Å; F254-F280 HydrophobicContact CD1-CE2 4.18Å; F254-F280 HydrophobicContact CD1-CZ 4.48Å; F254-F280 HydrophobicContact CD2-CD1 4.39Å; F254-F280 HydrophobicContact CD2-CD2 4.06Å; F254-F280 AromaticContact CD2-CE1 3.82Å; F254-F280 HydrophobicContact CD2-CE1 3.82Å; F254-F280 AromaticContact CD2-CE2 3.43Å; F254-F280 HydrophobicContact CD2-CE2 3.43Å; F254-F280 VanDerWaalsContact CD2-CE2 3.43Å; F254-F280 AromaticContact CD2-CZ 3.29Å; F254-F280 HydrophobicContact CD2-CZ 3.29Å; F254-F280 HydrophobicContact CE2-CE1 4.14Å; F254-F280 HydrophobicContact CE2-CE2 4.19Å; F254-F280 AromaticContact CE2-CZ 3.65Å; F254-F280 HydrophobicContact CE2-CZ 3.65Å; F254-F280 HydrophobicContact CG-CD2 4.05Å; F254-F280 AromaticContact CG-CE2 3.45Å; F254-F280 HydrophobicContact CG-CE2 3.45Å; F254-F280 VanDerWaalsContact CG-CE2 3.45Å; F254-F280 AromaticContact CG-CZ 3.8Å; F254-F280 HydrophobicContact CG-CZ 3.8Å; F254-F280 HydrophobicContact CZ-CZ 4.4Å; F257-F280 HydrophobicContact CB-CB 3.88Å; F257-F280 HydrophobicContact CB-CD1 3.76Å; F257-F280 HydrophobicContact CB-CG 3.98Å; F257-F280 AromaticContact CD1-CD1 3.58Å; F257-F280 HydrophobicContact CD1-CD1 3.58Å; F257-F280 AromaticContact CD1-CE1 3.78Å; F257-F280 HydrophobicContact CD1-CE1 3.78Å; F257-F280 AromaticContact CD2-CD1 4Å; F257-F280 HydrophobicContact CD2-CD1 4Å; F257-F280 HydrophobicContact CE1-CD1 4.19Å; F257-F280 HydrophobicContact CE1-CE1 4.2Å; F257-F280 HydrophobicContact CG-CB 4.28Å; F257-F280 AromaticContact CG-CD1 3.47Å; F257-F280 HydrophobicContact CG-CD1 3.47Å; F257-F280 VanDerWaalsContact CG-CD1 3.47Å; F257-F280 HydrophobicContact CG-CE1 4.16Å; F257-F280 HydrophobicContact CG-CG 4.18Å; H278-F280 WeakPolarHBondContact ND1-CB 3.31Å; H278-F280 PolarHBondContact ND1-N 3.37Å; H278-F280 PolarHBondContact O-N 3.38Å
281	I	96.4	Very high	94.6	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-78.8	-36	-177	-65	-60.1	0	0	0	111.4	C132 H133 L136 F257 C275 L276 H278 P279 R285	C132-I281 HydrophobicContact CB-CD1 4.28Å; H133-I281 HydrophobicContact CB-CG2 4.02Å; L136-I281 HydrophobicContact CD1-CD1 3.91Å; L136-I281 HydrophobicContact CD1-CG1 3.91Å; L136-I281 HydrophobicContact CD1-CG2 4.3Å; F257-I281 HydrophobicContact CD2-CD1 4.49Å; F257-I281 HydrophobicContact CD2-CG1 3.91Å; F257-I281 HydrophobicContact CE1-CD1 4.42Å; F257-I281 HydrophobicContact CE2-CD1 3.94Å; F257-I281 HydrophobicContact CE2-CG1 3.46Å; F257-I281 VanDerWaalsContact CE2-CG1 3.46Å; F257-I281 HydrophobicContact CZ-CD1 3.91Å; F257-I281 HydrophobicContact CZ-CG1 3.97Å; C275-I281 WeakPolarHBondContact O-CG1 3.24Å; L276-I281 HydrophobicContact CD2-CG2 4.31Å; H278-I281 PolarHBondContact O-N 2.8Å; H278-I281 VanDerWaalsContact O-N 3.08Å; P279-I281 PolarHBondContact O-N 3.31Å; P279-I281 VanDerWaalsContact O-N 3.15Å; I281-R285 PolarHBondContact O-NH1 3.23Å; I281-R285 VanDerWaalsContact O-NH1 3.11Å; I281-R285 PolarHBondContact O-NH2 3.15Å
282	K	94.7	Very high	94.5	Very high	133 Å²	133	61.3 Å²	61.3	58%	0.578	32%	0.315	S	S	*	.	H	α-helix	trans	-78.4	-16.7	177.3	-78.3	-179.6	176.1	153.7	0	115.3	K277 H278 P279	K277-K282 WeakPolarHBondContact O-CD 3.32Å; K277-K282 VanDerWaalsContact O-CE 3.3Å; K277-K282 WeakPolarHBondContact O-CE 3.45Å; K277-K282 PolarHBondContact O-NZ 2.84Å; H278-K282 PolarHBondContact O-N 3.24Å; H278-K282 VanDerWaalsContact O-N 3.08Å; P279-K282 CarbonylContact O-C 3.54Å; P279-K282 PolarHBondContact O-N 3.39Å
283	R	91	Very high	94.5	Very high	106 Å²	106	61 Å²	61	40%	0.4	31%	0.313	S	S	.	.	S	Bend	trans	-53.6	126.4	-174.9	-169.3	173.7	-175.1	-177.1	5.2	111.4	E125 P279 R285	E125-R283 IonicContact OE1-NH1 2.82Å; E125-R283 PolarHBondContact OE1-NH1 3.11Å; P279-R283 PolarHBondContact O-N 3.07Å; R283-R285 PolarHBondContact O-NH1 3.08Å
284	P	89.8	Confident	94.5	Very high	118 Å²	118	56.7 Å²	56.7	77%	0.766	29%	0.293	S	S	*	.			trans	-55.8	138.8	178.4	-27.7	35.6	0	0	0	112.8
285	R	91.8	Very high	94.4	Very high	64 Å²	64	55.3 Å²	55.3	24%	0.242	29%	0.286	C	S	.	.			trans	-149.9	158.1	-177.2	48.1	176.1	165	-90.2	-5.8	109.8	I281 R283	I281-R285 PolarHBondContact O-NH1 3.23Å; I281-R285 VanDerWaalsContact O-NH1 3.11Å; I281-R285 PolarHBondContact O-NH2 3.15Å; R283-R285 PolarHBondContact O-NH1 3.08Å
286	T	91.2	Very high	94.3	Very high	75 Å²	75	58.6 Å²	58.6	46%	0.46	30%	0.299	S	S	.	.			trans	-64.2	132.1	174.7	39.4	0	0	0	0	110.5	S288 I289	T286-S288 PolarHBondContact O-N 3.34Å; T286-I289 WeakPolarHBondContact O-CB 3.49Å; T286-I289 VanDerWaalsContact O-CG2 3.28Å; T286-I289 WeakPolarHBondContact O-CG2 3.38Å; T286-I289 PolarHBondContact O-N 3.27Å; T286-I289 VanDerWaalsContact O-N 3.11Å
287	P	88.7	Confident	94.2	Very high	139 Å²	139	57.4 Å²	57.4	90%	0.903	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.5	177.4	-26.3	35.5	0	0	0	113.5	I289	P287-I289 VanDerWaalsContact C-N 3.27Å; P287-I289 PolarHBondContact O-N 3.08Å
288	S	93.5	Very high	94.1	Very high	48 Å²	48	52.7 Å²	52.7	34%	0.336	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-9.6	177.9	58.8	0	0	0	0	114.5	T286 V290 Y291 D292	T286-S288 PolarHBondContact O-N 3.34Å; S288-V290 VanDerWaalsContact C-N 3.26Å; S288-V290 PolarHBondContact O-N 2.83Å; S288-Y291 CarbonylContact O-C 3.53Å; S288-Y291 WeakPolarHBondContact O-CA 3.44Å; S288-Y291 WeakPolarHBondContact O-CB 3.18Å; S288-Y291 PolarHBondContact O-N 3.05Å; S288-D292 WeakPolarHBondContact CB-OD2 3.49Å; S288-D292 VanDerWaalsContact O-CG 3.24Å; S288-D292 PolarHBondContact O-N 2.83Å; S288-D292 PolarHBondContact OG-OD2 3.32Å
289	I	95.5	Very high	93.9	Very high	13 Å²	13	55.2 Å²	55.2	7%	0.067	29%	0.289	C	S	.	.	H	α-helix	trans	-55.4	-34.7	-162.4	-166.8	165.4	0	0	0	115.3	Q126 E127 A130 T286 P287 L293	Q126-I289 HydrophobicContact CB-CD1 3.4Å; E127-I289 HydrophobicContact CG-CD1 4.03Å; E127-I289 HydrophobicContact CG-CG1 3.82Å; A130-I289 HydrophobicContact CB-CG2 3.66Å; T286-I289 WeakPolarHBondContact O-CB 3.49Å; T286-I289 VanDerWaalsContact O-CG2 3.28Å; T286-I289 WeakPolarHBondContact O-CG2 3.38Å; T286-I289 PolarHBondContact O-N 3.27Å; T286-I289 VanDerWaalsContact O-N 3.11Å; P287-I289 VanDerWaalsContact C-N 3.27Å; P287-I289 PolarHBondContact O-N 3.08Å; I289-L293 WeakPolarHBondContact O-CB 3.33Å; I289-L293 PolarHBondContact O-N 3.36Å; I289-L293 VanDerWaalsContact O-N 3.08Å
290	V	95	Very high	93.7	Very high	10 Å²	10	55.1 Å²	55.1	6%	0.061	29%	0.285	C	S	.	.	H	α-helix	trans	-76.8	-39.6	177.3	-175.4	0	0	0	0	111.1	A130 L159 G163 V165 S288 L293 I294	A130-V290 HydrophobicContact CB-CG2 3.78Å; L159-V290 HydrophobicContact CD2-CG1 3.66Å; G163-V290 VanDerWaalsContact O-CB 3.26Å; G163-V290 WeakPolarHBondContact O-CB 3.49Å; G163-V290 WeakPolarHBondContact O-CG1 3.49Å; V165-V290 HydrophobicContact CG2-CG1 3.9Å; V165-V290 HydrophobicContact CG2-CG2 4.42Å; S288-V290 VanDerWaalsContact C-N 3.26Å; S288-V290 PolarHBondContact O-N 2.83Å; V290-L293 WeakPolarHBondContact O-CB 3.44Å; V290-L293 PolarHBondContact O-N 2.87Å; V290-I294 HydrophobicContact CG1-CD1 4.41Å; V290-I294 WeakPolarHBondContact O-CG1 3.49Å; V290-I294 PolarHBondContact O-N 2.91Å
291	Y	95.3	Very high	93.5	Very high	102 Å²	102	55.1 Å²	55.1	40%	0.4	28%	0.284	S	S	.	.	H	α-helix	trans	-62	-44	171.3	176.3	-94.5	0	0	0	111.2	D161 S288 L293 I294 Q295	D161-Y291 WeakPolarHBondContact O-CD2 3.42Å; S288-Y291 CarbonylContact O-C 3.53Å; S288-Y291 WeakPolarHBondContact O-CA 3.44Å; S288-Y291 WeakPolarHBondContact O-CB 3.18Å; S288-Y291 PolarHBondContact O-N 3.05Å; Y291-L293 PolarHBondContact O-N 2.78Å; Y291-I294 PolarHBondContact O-N 2.76Å; Y291-I294 VanDerWaalsContact O-N 3.07Å; Y291-Q295 HydrophobicContact CD1-CG 4.09Å; Y291-Q295 HydrophobicContact CD2-CG 4.49Å; Y291-Q295 HydrophobicContact CE1-CG 3.71Å; Y291-Q295 HydrophobicContact CE2-CG 4.15Å; Y291-Q295 VanDerWaalsContact CE2-NE2 3.26Å; Y291-Q295 HydrophobicContact CG-CG 4.47Å; Y291-Q295 WeakPolarHBondContact O-CG 3.38Å; Y291-Q295 PolarHBondContact O-N 3.47Å; Y291-Q295 PolarHBondContact OH-NE2 3.25Å
292	D	95.6	Very high	93.1	Very high	66 Å²	66	61.4 Å²	61.4	35%	0.353	31%	0.308	S	S	.	.	H	α-helix	trans	-64.2	-28.3	176.4	-58.6	-30.4	0	0	0	112.5	S288 R296	S288-D292 WeakPolarHBondContact CB-OD2 3.49Å; S288-D292 VanDerWaalsContact O-CG 3.24Å; S288-D292 PolarHBondContact O-N 2.83Å; S288-D292 PolarHBondContact OG-OD2 3.32Å; D292-R296 VanDerWaalsContact O-CB 3.26Å; D292-R296 WeakPolarHBondContact O-CB 3.41Å; D292-R296 PolarHBondContact O-N 3.36Å; D292-R296 PolarHBondContact O-NH2 3.09Å
293	L	95.6	Very high	92.8	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-73	-44.8	169.9	174.5	61.4	0	0	0	111.1	I115 L123 E127 M131 I289 V290 Y291 R296 T297	I115-L293 HydrophobicContact CD1-CD2 4.45Å; I115-L293 HydrophobicContact CG2-CD1 4.04Å; I115-L293 HydrophobicContact CG2-CD2 4.34Å; I115-L293 HydrophobicContact CG2-CG 4.25Å; L123-L293 HydrophobicContact CD1-CD2 4.08Å; L123-L293 HydrophobicContact CD2-CD1 3.96Å; L123-L293 HydrophobicContact CD2-CD2 4.02Å; E127-L293 HydrophobicContact CB-CD2 4.24Å; E127-L293 HydrophobicContact CG-CD2 4.38Å; M131-L293 HydrophobicContact SD-CD2 4.3Å; I289-L293 WeakPolarHBondContact O-CB 3.33Å; I289-L293 PolarHBondContact O-N 3.36Å; I289-L293 VanDerWaalsContact O-N 3.08Å; V290-L293 WeakPolarHBondContact O-CB 3.44Å; V290-L293 PolarHBondContact O-N 2.87Å; Y291-L293 PolarHBondContact O-N 2.78Å; L293-R296 PolarHBondContact O-N 2.94Å; L293-T297 WeakPolarHBondContact O-CB 3.49Å; L293-T297 PolarHBondContact O-N 3.31Å; L293-T297 PolarHBondContact O-OG1 2.83Å
294	I	94.8	Very high	92.6	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-61.6	-50.1	178.1	-67.9	168.9	0	0	0	110.7	L159 T160 V290 Y291 R296 T297 K298	L159-I294 HydrophobicContact CB-CD1 3.97Å; L159-I294 HydrophobicContact CB-CG1 4.48Å; L159-I294 HydrophobicContact CD2-CD1 4.22Å; L159-I294 HydrophobicContact CD2-CG1 4.2Å; T160-I294 WeakPolarHBondContact O-CD1 3.33Å; V290-I294 HydrophobicContact CG1-CD1 4.41Å; V290-I294 WeakPolarHBondContact O-CG1 3.49Å; V290-I294 PolarHBondContact O-N 2.91Å; Y291-I294 PolarHBondContact O-N 2.76Å; Y291-I294 VanDerWaalsContact O-N 3.07Å; I294-R296 VanDerWaalsContact C-N 3.31Å; I294-R296 PolarHBondContact O-N 3.4Å; I294-T297 CarbonylContact O-C 3.53Å; I294-T297 WeakPolarHBondContact O-CA 3.32Å; I294-T297 VanDerWaalsContact O-CB 3.28Å; I294-T297 WeakPolarHBondContact O-CB 3.36Å; I294-T297 PolarHBondContact O-N 2.82Å; I294-K298 HydrophobicContact CG2-CG 4.42Å; I294-K298 PolarHBondContact O-N 3.06Å
295	Q	94.6	Very high	92.5	Very high	57 Å²	57	56 Å²	56	27%	0.266	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-39	179.5	-63	-58.2	-22.1	0	0	112.1	Y291 T297 K298 T299	Y291-Q295 HydrophobicContact CD1-CG 4.09Å; Y291-Q295 HydrophobicContact CD2-CG 4.49Å; Y291-Q295 HydrophobicContact CE1-CG 3.71Å; Y291-Q295 HydrophobicContact CE2-CG 4.15Å; Y291-Q295 VanDerWaalsContact CE2-NE2 3.26Å; Y291-Q295 HydrophobicContact CG-CG 4.47Å; Y291-Q295 WeakPolarHBondContact O-CG 3.38Å; Y291-Q295 PolarHBondContact O-N 3.47Å; Y291-Q295 PolarHBondContact OH-NE2 3.25Å; Q295-T297 VanDerWaalsContact C-N 3.33Å; Q295-T297 PolarHBondContact O-N 2.89Å; Q295-K298 WeakPolarHBondContact O-CB 3.37Å; Q295-K298 PolarHBondContact O-N 3.08Å; Q295-T299 PolarHBondContact O-N 3.27Å; Q295-T299 PolarHBondContact O-OG1 2.99Å
296	R	94.5	Very high	92	Very high	70 Å²	70	59.4 Å²	59.4	26%	0.264	31%	0.305	S	S	.	.	H	α-helix	trans	-63.9	-38.2	172.8	-164.9	-171.1	-30.7	139	9.2	112.3	E127 D292 L293 I294 L300	E127-R296 IonicContact OE1-CZ 2.94Å; E127-R296 IonicContact OE1-NH1 3.85Å; E127-R296 PolarHBondContact OE1-NH1 2.9Å; E127-R296 IonicContact OE1-NH2 3.08Å; E127-R296 PolarHBondContact OE1-NH2 3.44Å; E127-R296 IonicContact OE2-NH1 2.71Å; D292-R296 VanDerWaalsContact O-CB 3.26Å; D292-R296 WeakPolarHBondContact O-CB 3.41Å; D292-R296 PolarHBondContact O-N 3.36Å; D292-R296 PolarHBondContact O-NH2 3.09Å; L293-R296 PolarHBondContact O-N 2.94Å; I294-R296 VanDerWaalsContact C-N 3.31Å; I294-R296 PolarHBondContact O-N 3.4Å; R296-L300 WeakPolarHBondContact O-CG 3Å; R296-L300 PolarHBondContact O-N 3.32Å; R296-L300 VanDerWaalsContact O-N 3.1Å
297	T	94.8	Very high	91.4	Very high	4 Å²	4	63.6 Å²	63.6	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-64.7	-45.8	173.7	-49.1	0	0	0	0	110.6	I115 V118 H119 L293 I294 Q295 T299 L300 V301 L315	I115-T297 HydrophobicContact CG1-CG2 4.26Å; I115-T297 HydrophobicContact CG2-CG2 4.4Å; V118-T297 HydrophobicContact CB-CG2 3.98Å; V118-T297 HydrophobicContact CG1-CG2 3.84Å; V118-T297 HydrophobicContact CG2-CG2 4.16Å; H119-T297 PolarHBondContact NE2-OG1 2.91Å; L293-T297 WeakPolarHBondContact O-CB 3.49Å; L293-T297 PolarHBondContact O-N 3.31Å; L293-T297 PolarHBondContact O-OG1 2.83Å; I294-T297 CarbonylContact O-C 3.53Å; I294-T297 WeakPolarHBondContact O-CA 3.32Å; I294-T297 VanDerWaalsContact O-CB 3.28Å; I294-T297 WeakPolarHBondContact O-CB 3.36Å; I294-T297 PolarHBondContact O-N 2.82Å; Q295-T297 VanDerWaalsContact C-N 3.33Å; Q295-T297 PolarHBondContact O-N 2.89Å; T297-T299 PolarHBondContact O-N 2.91Å; T297-L300 PolarHBondContact O-N 3.44Å; T297-V301 HydrophobicContact CG2-CG2 4.5Å; T297-V301 VanDerWaalsContact O-CG2 3.31Å; T297-V301 WeakPolarHBondContact O-CG2 3.18Å; T297-V301 PolarHBondContact O-N 3.43Å; T297-L315 HydrophobicContact CG2-CD1 4.28Å
298	K	93.7	Very high	91.1	Very high	7 Å²	7	58.5 Å²	58.5	3%	0.03	28%	0.278	C	S	.	.	H	α-helix	trans	-56.6	-45.7	176.9	-76.1	-166.5	179.4	-176.3	0	112.3	D161 I294 Q295 V301 R302 M316 D319	D161-K298 VanDerWaalsContact CG-NZ 3.28Å; D161-K298 WeakPolarHBondContact OD1-CE 3.38Å; D161-K298 IonicContact OD1-NZ 3.06Å; D161-K298 PolarHBondContact OD1-NZ 2.82Å; D161-K298 IonicContact OD2-NZ 3.3Å; D161-K298 PolarHBondContact OD2-NZ 3.37Å; D161-K298 VanDerWaalsContact OD2-NZ 3.16Å; I294-K298 HydrophobicContact CG2-CG 4.42Å; I294-K298 PolarHBondContact O-N 3.06Å; Q295-K298 WeakPolarHBondContact O-CB 3.37Å; Q295-K298 PolarHBondContact O-N 3.08Å; K298-V301 PolarHBondContact O-N 2.89Å; K298-R302 WeakPolarHBondContact O-CG 3.27Å; K298-R302 PolarHBondContact O-N 3.22Å; K298-M316 HydrophobicContact CB-CE 3.6Å; K298-M316 HydrophobicContact CD-CE 4.05Å; K298-M316 HydrophobicContact CG-CE 3.56Å; K298-D319 WeakPolarHBondContact CE-OD1 3.19Å; K298-D319 IonicContact NZ-OD1 2.71Å; K298-D319 PolarHBondContact NZ-OD1 2.89Å; K298-D319 IonicContact NZ-OD2 3.33Å
299	T	92.9	Very high	90.8	Very high	71 Å²	71	59.4 Å²	59.4	44%	0.436	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-52.1	174.4	-57.4	0	0	0	0	111.2	Q295 T297 V301 R302 D303	Q295-T299 PolarHBondContact O-N 3.27Å; Q295-T299 PolarHBondContact O-OG1 2.99Å; T297-T299 PolarHBondContact O-N 2.91Å; T299-V301 PolarHBondContact O-N 2.86Å; T299-R302 WeakPolarHBondContact O-CB 3.42Å; T299-R302 PolarHBondContact O-N 2.91Å; T299-D303 PolarHBondContact O-N 2.69Å
300	L	92.8	Very high	90.2	Very high	66 Å²	66	67.5 Å²	67.5	35%	0.346	30%	0.304	S	S	.	.	H	α-helix	trans	-58.1	-33.6	179.4	-72.8	174.2	0	0	0	113.3	V118 R296 T297 D303 L304	V118-L300 HydrophobicContact CG1-CB 3.76Å; R296-L300 WeakPolarHBondContact O-CG 3Å; R296-L300 PolarHBondContact O-N 3.32Å; R296-L300 VanDerWaalsContact O-N 3.1Å; T297-L300 PolarHBondContact O-N 3.44Å; L300-D303 PolarHBondContact O-N 3.19Å; L300-L304 WeakPolarHBondContact O-CG 3.42Å; L300-L304 PolarHBondContact O-N 2.73Å
301	V	91	Very high	89.6	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.6	-43.1	174.5	169.4	0	0	0	0	111.2	V118 T297 K298 T299 D303 L304 Y309 M312 L315 M316	V118-V301 HydrophobicContact CG1-CG2 3.98Å; V118-V301 HydrophobicContact CG2-CG2 3.74Å; T297-V301 HydrophobicContact CG2-CG2 4.5Å; T297-V301 VanDerWaalsContact O-CG2 3.31Å; T297-V301 WeakPolarHBondContact O-CG2 3.18Å; T297-V301 PolarHBondContact O-N 3.43Å; K298-V301 PolarHBondContact O-N 2.89Å; T299-V301 PolarHBondContact O-N 2.86Å; V301-D303 PolarHBondContact O-N 2.94Å; V301-L304 WeakPolarHBondContact O-CB 3.47Å; V301-L304 PolarHBondContact O-N 3.44Å; V301-Y309 HydrophobicContact CG1-CD2 4.03Å; V301-Y309 HydrophobicContact CG1-CE2 4.13Å; V301-Y309 WeakPolarHBondContact O-CD2 3.44Å; V301-M312 HydrophobicContact CG1-CB 4.4Å; V301-M312 HydrophobicContact CG2-CB 4.36Å; V301-L315 HydrophobicContact CG2-CB 4.21Å; V301-L315 HydrophobicContact CG2-CD1 3.52Å; V301-L315 HydrophobicContact CG2-CG 4.5Å; V301-M316 HydrophobicContact CB-SD 4.43Å; V301-M316 HydrophobicContact CG1-CG 3.86Å; V301-M316 HydrophobicContact CG1-SD 4.01Å
302	R	88.5	Confident	89.3	Confident	134 Å²	134	67.4 Å²	67.4	51%	0.506	31%	0.305	S	S	.	.	H	α-helix	trans	-65.7	-26.5	179.2	-61.4	170	-166.1	147.4	0.3	112.2	K298 T299 M316 D319	K298-R302 WeakPolarHBondContact O-CG 3.27Å; K298-R302 PolarHBondContact O-N 3.22Å; T299-R302 WeakPolarHBondContact O-CB 3.42Å; T299-R302 PolarHBondContact O-N 2.91Å; R302-M316 HydrophobicContact CG-SD 3.63Å; R302-D319 IonicContact CZ-OD2 3.86Å; R302-D319 IonicContact NH2-OD2 2.85Å; R302-D319 PolarHBondContact NH2-OD2 3.38Å
303	D	88.9	Confident	89.1	Confident	122 Å²	122	68.6 Å²	68.6	65%	0.652	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	1.3	177.6	-56.5	-31.5	0	0	0	113.9	T299 L300 V301	T299-D303 PolarHBondContact O-N 2.69Å; L300-D303 PolarHBondContact O-N 3.19Å; V301-D303 PolarHBondContact O-N 2.94Å
304	L	87	Confident	88.8	Confident	35 Å²	35	70.1 Å²	70.1	18%	0.183	31%	0.311	C	S	.	.	S	Bend	trans	-73.7	153.1	179.6	-73.4	174.9	0	0	0	113.2	L300 V301 Q308 M312	L300-L304 WeakPolarHBondContact O-CG 3.42Å; L300-L304 PolarHBondContact O-N 2.73Å; V301-L304 WeakPolarHBondContact O-CB 3.47Å; V301-L304 PolarHBondContact O-N 3.44Å; L304-Q308 HydrophobicContact CB-CB 4.08Å; L304-Q308 HydrophobicContact CD1-CB 4.1Å; L304-Q308 HydrophobicContact CD2-CB 4.11Å; L304-Q308 HydrophobicContact CG-CB 4.32Å; L304-M312 HydrophobicContact CD1-CB 3.92Å; L304-M312 HydrophobicContact CD1-CG 4.04Å
305	D	86.2	Confident	88.6	Confident	85 Å²	85	70 Å²	70	46%	0.455	31%	0.311	S	S	.	.			trans	-59.6	152.9	167.1	71.2	70.7	0	0	0	111.8	Y307 Q308 Y309	D305-Y307 PolarHBondContact O-N 3.47Å; D305-Y307 WeakPolarHBondContact OD1-CB 3.31Å; D305-Y307 PolarHBondContact OD1-N 3.14Å; D305-Y307 VanDerWaalsContact OD1-N 3.08Å; D305-Q308 PolarHBondContact O-N 3.39Å; D305-Q308 WeakPolarHBondContact OD1-CG 3.37Å; D305-Q308 PolarHBondContact OD1-N 2.8Å; D305-Q308 WeakPolarHBondContact OD2-CG 3.37Å; D305-Y309 WeakPolarHBondContact O-CB 3.35Å; D305-Y309 PolarHBondContact O-N 2.66Å
306	H	81.7	Confident	88.4	Confident	136 Å²	136	67.7 Å²	67.7	63%	0.63	30%	0.3	S	S	*	.	H	α-helix	trans	-58.4	-25.8	-171.6	-175	-164.4	0	0	0	114.1	R310	H306-R310 PolarHBondContact NE2-NH2 3.3Å; H306-R310 VanDerWaalsContact O-CB 3.3Å; H306-R310 WeakPolarHBondContact O-CB 3.08Å; H306-R310 PolarHBondContact O-N 3.23Å; H306-R310 VanDerWaalsContact O-N 3.15Å
307	Y	79.6	Confident	88.2	Confident	164 Å²	164	65.6 Å²	65.6	64%	0.643	29%	0.292	S	S	*	.	H	α-helix	trans	-77.2	-45.9	175.5	172.1	-90.5	0	0	0	111.3	D305 R310 K311	D305-Y307 PolarHBondContact O-N 3.47Å; D305-Y307 WeakPolarHBondContact OD1-CB 3.31Å; D305-Y307 PolarHBondContact OD1-N 3.14Å; D305-Y307 VanDerWaalsContact OD1-N 3.08Å; Y307-R310 PolarHBondContact O-N 2.89Å; Y307-K311 PolarHBondContact O-N 2.88Å
308	Q	82.4	Confident	87.8	Confident	32 Å²	32	66.8 Å²	66.8	15%	0.15	30%	0.298	C	S	.	.	H	α-helix	trans	-68.5	-41.2	177.2	-64.1	-77	-60.8	0	0	111.7	R120 L304 D305 R310 K311 M312	R120-Q308 VanDerWaalsContact NH2-CG 3.35Å; L304-Q308 HydrophobicContact CB-CB 4.08Å; L304-Q308 HydrophobicContact CD1-CB 4.1Å; L304-Q308 HydrophobicContact CD2-CB 4.11Å; L304-Q308 HydrophobicContact CG-CB 4.32Å; D305-Q308 PolarHBondContact O-N 3.39Å; D305-Q308 WeakPolarHBondContact OD1-CG 3.37Å; D305-Q308 PolarHBondContact OD1-N 2.8Å; D305-Q308 WeakPolarHBondContact OD2-CG 3.37Å; Q308-R310 PolarHBondContact O-N 3.35Å; Q308-K311 WeakPolarHBondContact O-CB 3.39Å; Q308-K311 PolarHBondContact O-N 3.32Å; Q308-K311 VanDerWaalsContact O-N 3.13Å; Q308-M312 WeakPolarHBondContact O-CB 3.44Å; Q308-M312 PolarHBondContact O-N 3.44Å
309	Y	86	Confident	87.5	Confident	67 Å²	67	67.8 Å²	67.8	26%	0.263	30%	0.304	S	S	.	.	H	α-helix	trans	-55.8	-48.9	171	179.2	-100.9	0	0	0	110.8	V301 D305 K311 M312 R313 M316	V301-Y309 HydrophobicContact CG1-CD2 4.03Å; V301-Y309 HydrophobicContact CG1-CE2 4.13Å; V301-Y309 WeakPolarHBondContact O-CD2 3.44Å; D305-Y309 WeakPolarHBondContact O-CB 3.35Å; D305-Y309 PolarHBondContact O-N 2.66Å; Y309-K311 PolarHBondContact O-N 2.7Å; Y309-M312 CarbonylContact O-C 3.39Å; Y309-M312 PolarHBondContact O-N 3.42Å; Y309-R313 HydrophobicContact CE1-CB 4.27Å; Y309-R313 HydrophobicContact CE1-CG 4.06Å; Y309-R313 WeakPolarHBondContact O-CA 3.15Å; Y309-R313 WeakPolarHBondContact O-CB 3.25Å; Y309-R313 PolarHBondContact O-N 3.25Å; Y309-M316 HydrophobicContact CE2-CG 4.41Å
310	R	83.1	Confident	87	Confident	183 Å²	183	66.9 Å²	66.9	69%	0.691	30%	0.295	S	S	*	.	H	α-helix	trans	-57.7	-33.7	177.4	-174.2	177.2	-64.3	-155.8	-2.1	112.9	H306 Y307 Q308	H306-R310 PolarHBondContact NE2-NH2 3.3Å; H306-R310 VanDerWaalsContact O-CB 3.3Å; H306-R310 WeakPolarHBondContact O-CB 3.08Å; H306-R310 PolarHBondContact O-N 3.23Å; H306-R310 VanDerWaalsContact O-N 3.15Å; Y307-R310 PolarHBondContact O-N 2.89Å; Q308-R310 PolarHBondContact O-N 3.35Å
311	K	83.7	Confident	86.1	Confident	107 Å²	107	66.8 Å²	66.8	47%	0.465	29%	0.293	S	S	.	.	H	α-helix	trans	-74.2	-37.5	174.7	-160.9	-162.8	-178.8	-155.5	0	112.8	E117 Y307 Q308 Y309	E117-K311 IonicContact OE1-NZ 3.52Å; E117-K311 PolarHBondContact OE1-NZ 2.93Å; E117-K311 IonicContact OE2-NZ 3.26Å; E117-K311 PolarHBondContact OE2-NZ 2.74Å; Y307-K311 PolarHBondContact O-N 2.88Å; Q308-K311 WeakPolarHBondContact O-CB 3.39Å; Q308-K311 PolarHBondContact O-N 3.32Å; Q308-K311 VanDerWaalsContact O-N 3.13Å; Y309-K311 PolarHBondContact O-N 2.7Å
312	M	88.9	Confident	85.1	Confident	3 Å²	3	72.7 Å²	72.7	2%	0.015	32%	0.32	C	S	.	.	H	α-helix	trans	-98.2	-7.8	-171.5	-70.7	-66.3	119.1	0	0	114.7	D114 E117 V118 V301 L304 Q308 Y309 K314 L315	D114-M312 HydrophobicContact CB-SD 4.48Å; E117-M312 HydrophobicContact CG-CE 4.43Å; E117-M312 WeakPolarHBondContact OE2-CE 3.47Å; V118-M312 HydrophobicContact CG2-CB 4.31Å; V118-M312 HydrophobicContact CG2-CG 3.84Å; V118-M312 HydrophobicContact CG2-SD 3.65Å; V301-M312 HydrophobicContact CG1-CB 4.4Å; V301-M312 HydrophobicContact CG2-CB 4.36Å; L304-M312 HydrophobicContact CD1-CB 3.92Å; L304-M312 HydrophobicContact CD1-CG 4.04Å; Q308-M312 WeakPolarHBondContact O-CB 3.44Å; Q308-M312 PolarHBondContact O-N 3.44Å; Y309-M312 CarbonylContact O-C 3.39Å; Y309-M312 PolarHBondContact O-N 3.42Å; M312-K314 PolarHBondContact O-N 3Å; M312-L315 HydrophobicContact CB-CD1 4.26Å; M312-L315 WeakPolarHBondContact O-CB 3.36Å; M312-L315 WeakPolarHBondContact O-CG 3.48Å; M312-L315 PolarHBondContact O-N 3.03Å; M312-L315 HydrophobicContact SD-CD1 4.06Å
313	R	90.1	Very high	83.7	Confident	91 Å²	91	70.3 Å²	70.3	34%	0.343	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-52.3	-26.2	-175.5	-175.8	-178.8	165.9	-152.3	-6.5	114.1	Y309 L315 M316 Y317 E320	Y309-R313 HydrophobicContact CE1-CB 4.27Å; Y309-R313 HydrophobicContact CE1-CG 4.06Å; Y309-R313 WeakPolarHBondContact O-CA 3.15Å; Y309-R313 WeakPolarHBondContact O-CB 3.25Å; Y309-R313 PolarHBondContact O-N 3.25Å; R313-L315 PolarHBondContact O-N 3.33Å; R313-L315 VanDerWaalsContact O-N 3.08Å; R313-M316 VanDerWaalsContact O-CB 3.31Å; R313-M316 WeakPolarHBondContact O-CB 3.34Å; R313-M316 PolarHBondContact O-N 3.21Å; R313-Y317 HydrophobicContact CG-CD1 4.45Å; R313-Y317 HydrophobicContact CG-CE1 3.88Å; R313-E320 IonicContact CZ-OE1 3.91Å; R313-E320 VanDerWaalsContact CZ-OE1 3.3Å; R313-E320 IonicContact CZ-OE2 2.76Å; R313-E320 IonicContact NE-OE1 3.75Å; R313-E320 PolarHBondContact NE-OE1 2.88Å; R313-E320 IonicContact NE-OE2 3.38Å; R313-E320 IonicContact NH2-OE1 2.6Å; R313-E320 PolarHBondContact NH2-OE1 3.16Å; R313-E320 IonicContact NH2-OE2 3.73Å; R313-E320 PolarHBondContact NH2-OE2 3.26Å
314	K	90.3	Very high	81.8	Confident	32 Å²	32	67.3 Å²	67.3	14%	0.139	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-48.7	-35.3	172.4	59.2	173.4	177.2	167.4	0	113.3	I34 Y107 D114 M312 M316 Y317	I34-K314 HydrophobicContact CB-CB 4.22Å; I34-K314 HydrophobicContact CB-CD 4.05Å; I34-K314 HydrophobicContact CG2-CB 3.8Å; I34-K314 VanDerWaalsContact O-CD 3.23Å; I34-K314 WeakPolarHBondContact O-CD 3.37Å; I34-K314 PolarHBondContact O-NZ 3.18Å; I34-K314 VanDerWaalsContact O-NZ 3.13Å; Y107-K314 PolarHBondContact OH-O 3.08Å; D114-K314 WeakPolarHBondContact OD1-CE 3.4Å; D114-K314 IonicContact OD1-NZ 2.83Å; D114-K314 PolarHBondContact OD1-NZ 3.15Å; D114-K314 IonicContact OD2-NZ 3.9Å; D114-K314 PolarHBondContact OD2-NZ 3.16Å; M312-K314 PolarHBondContact O-N 3Å; K314-M316 PolarHBondContact O-N 3.49Å; K314-Y317 HydrophobicContact CB-CD2 4.37Å; K314-Y317 HydrophobicContact CB-CE2 4.12Å; K314-Y317 PolarHBondContact O-N 2.82Å
315	L	89.3	Confident	79.6	Confident	5 Å²	5	70.1 Å²	70.1	3%	0.026	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-63.9	-6.8	177	-61.6	166.3	0	0	0	113.8	V109 D114 V118 T297 V301 M312 R313	V109-L315 HydrophobicContact CG1-CB 4.25Å; V109-L315 HydrophobicContact CG1-CD2 3.94Å; V109-L315 WeakPolarHBondContact CG1-O 3.31Å; V109-L315 WeakPolarHBondContact O-CD2 3.41Å; D114-L315 HydrophobicContact CB-CD2 4.42Å; V118-L315 HydrophobicContact CG2-CD1 3.64Å; T297-L315 HydrophobicContact CG2-CD1 4.28Å; V301-L315 HydrophobicContact CG2-CB 4.21Å; V301-L315 HydrophobicContact CG2-CD1 3.52Å; V301-L315 HydrophobicContact CG2-CG 4.5Å; M312-L315 HydrophobicContact CB-CD1 4.26Å; M312-L315 WeakPolarHBondContact O-CB 3.36Å; M312-L315 WeakPolarHBondContact O-CG 3.48Å; M312-L315 PolarHBondContact O-N 3.03Å; M312-L315 HydrophobicContact SD-CD1 4.06Å; R313-L315 PolarHBondContact O-N 3.33Å; R313-L315 VanDerWaalsContact O-N 3.08Å
316	M	91.3	Very high	76.9	Confident	7 Å²	7	71.7 Å²	71.7	3%	0.034	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-110.6	-8.7	-178.8	-52.8	-84.6	75.7	0	0	114.1	K298 V301 R302 Y309 R313 K314 L318 D319 E320	K298-M316 HydrophobicContact CB-CE 3.6Å; K298-M316 HydrophobicContact CD-CE 4.05Å; K298-M316 HydrophobicContact CG-CE 3.56Å; V301-M316 HydrophobicContact CB-SD 4.43Å; V301-M316 HydrophobicContact CG1-CG 3.86Å; V301-M316 HydrophobicContact CG1-SD 4.01Å; R302-M316 HydrophobicContact CG-SD 3.63Å; Y309-M316 HydrophobicContact CE2-CG 4.41Å; R313-M316 VanDerWaalsContact O-CB 3.31Å; R313-M316 WeakPolarHBondContact O-CB 3.34Å; R313-M316 PolarHBondContact O-N 3.21Å; K314-M316 PolarHBondContact O-N 3.49Å; M316-L318 VanDerWaalsContact C-N 3.26Å; M316-L318 PolarHBondContact O-N 2.93Å; M316-L318 VanDerWaalsContact O-N 3.13Å; M316-D319 WeakPolarHBondContact O-CB 3.26Å; M316-D319 PolarHBondContact O-N 2.84Å; M316-E320 PolarHBondContact O-N 3.03Å; M316-E320 VanDerWaalsContact O-N 3.12Å
317	Y	89.9	Confident	74.3	Confident	26 Å²	26	68.6 Å²	68.6	10%	0.102	36%	0.36	C	S	.	.	H	α-helix	trans	-63.5	-25.9	-166.9	-70.5	-18.5	0	0	0	114.8	R32 I34 F44 R313 K314 Q321	R32-Y317 HydrophobicContact CB-CD2 4.39Å; R32-Y317 HydrophobicContact CB-CE2 3.61Å; R32-Y317 HydrophobicContact CG-CE2 4.33Å; R32-Y317 VanDerWaalsContact NH1-CD1 3.3Å; I34-Y317 HydrophobicContact CG2-CD2 4.11Å; I34-Y317 HydrophobicContact CG2-CE2 3.83Å; F44-Y317 HydrophobicContact CB-CD2 3.8Å; F44-Y317 HydrophobicContact CB-CE2 4.27Å; F44-Y317 HydrophobicContact CD1-CD2 4.19Å; F44-Y317 HydrophobicContact CD2-CD2 4.22Å; F44-Y317 AromaticContact CG-CD2 3.81Å; F44-Y317 HydrophobicContact CG-CD2 3.81Å; F44-Y317 HydrophobicContact CG-CG 4.48Å; R313-Y317 HydrophobicContact CG-CD1 4.45Å; R313-Y317 HydrophobicContact CG-CE1 3.88Å; K314-Y317 HydrophobicContact CB-CD2 4.37Å; K314-Y317 HydrophobicContact CB-CE2 4.12Å; K314-Y317 PolarHBondContact O-N 2.82Å; Y317-Q321 WeakPolarHBondContact O-CG 3.33Å; Y317-Q321 PolarHBondContact O-N 3.02Å
318	L	87.2	Confident	71.8	Confident	30 Å²	30	70.1 Å²	70.1	16%	0.157	37%	0.373	C	S	.	.	H	α-helix	trans	-71.3	-40.9	171.3	-68.2	175.6	0	0	0	112.5	F44 C53 Y107 V109 D161 M316 E320 Q321 Q322	F44-L318 HydrophobicContact CE2-CD2 4.4Å; C53-L318 HydrophobicContact CB-CD2 3.79Å; Y107-L318 HydrophobicContact CD1-CD1 3.94Å; Y107-L318 HydrophobicContact CD1-CD2 3.88Å; Y107-L318 HydrophobicContact CD1-CG 3.85Å; Y107-L318 HydrophobicContact CE1-CD1 3.99Å; Y107-L318 HydrophobicContact CE1-CD2 4.24Å; Y107-L318 HydrophobicContact CE1-CG 3.76Å; V109-L318 HydrophobicContact CG2-CD1 4.11Å; D161-L318 HydrophobicContact CB-CD1 3.81Å; M316-L318 VanDerWaalsContact C-N 3.26Å; M316-L318 PolarHBondContact O-N 2.93Å; M316-L318 VanDerWaalsContact O-N 3.13Å; L318-E320 VanDerWaalsContact C-N 3.3Å; L318-E320 PolarHBondContact O-N 2.92Å; L318-Q321 PolarHBondContact O-N 3.23Å; L318-Q322 WeakPolarHBondContact O-CG 3.42Å; L318-Q322 PolarHBondContact O-N 3.49Å
319	D	86.1	Confident	69.3	Low	28 Å²	28	75 Å²	75	15%	0.15	41%	0.405	C	S	.	.	H	α-helix	trans	-61.7	-42.2	177.9	-58.4	7.8	0	0	0	110.4	K298 R302 M316 Q322 S323	K298-D319 WeakPolarHBondContact CE-OD1 3.19Å; K298-D319 IonicContact NZ-OD1 2.71Å; K298-D319 PolarHBondContact NZ-OD1 2.89Å; K298-D319 IonicContact NZ-OD2 3.33Å; R302-D319 IonicContact CZ-OD2 3.86Å; R302-D319 IonicContact NH2-OD2 2.85Å; R302-D319 PolarHBondContact NH2-OD2 3.38Å; M316-D319 WeakPolarHBondContact O-CB 3.26Å; M316-D319 PolarHBondContact O-N 2.84Å; D319-Q322 PolarHBondContact O-N 3.43Å; D319-S323 VanDerWaalsContact O-CB 3.31Å; D319-S323 WeakPolarHBondContact O-CB 3.18Å; D319-S323 PolarHBondContact O-N 2.86Å; D319-S323 PolarHBondContact O-OG 3.04Å
320	E	83	Confident	66.5	Low	51 Å²	51	77 Å²	77	24%	0.238	43%	0.429	C	S	.	.	H	α-helix	trans	-61.7	-46.1	177.5	-66.9	-179	-169.3	0	0	111.6	R32 R313 M316 L318 S323 G324	R32-E320 IonicContact CZ-OE2 3.65Å; R32-E320 IonicContact NH1-OE2 3.96Å; R32-E320 PolarHBondContact NH1-OE2 3.02Å; R32-E320 IonicContact NH2-OE2 2.62Å; R313-E320 IonicContact CZ-OE1 3.91Å; R313-E320 VanDerWaalsContact CZ-OE1 3.3Å; R313-E320 IonicContact CZ-OE2 2.76Å; R313-E320 IonicContact NE-OE1 3.75Å; R313-E320 PolarHBondContact NE-OE1 2.88Å; R313-E320 IonicContact NE-OE2 3.38Å; R313-E320 IonicContact NH2-OE1 2.6Å; R313-E320 PolarHBondContact NH2-OE1 3.16Å; R313-E320 IonicContact NH2-OE2 3.73Å; R313-E320 PolarHBondContact NH2-OE2 3.26Å; M316-E320 PolarHBondContact O-N 3.03Å; M316-E320 VanDerWaalsContact O-N 3.12Å; L318-E320 VanDerWaalsContact C-N 3.3Å; L318-E320 PolarHBondContact O-N 2.92Å; E320-S323 PolarHBondContact O-N 3.38Å; E320-G324 PolarHBondContact O-N 3.13Å
321	Q	74.2	Confident	63.8	Low	65 Å²	65	73.1 Å²	73.1	30%	0.304	43%	0.429	S	S	.	.	H	α-helix	trans	-67.1	-38.5	179	-77	-69.8	-15.3	0	0	112.9	D30 F44 Y317 L318	D30-Q321 PolarHBondContact OD2-NE2 3.42Å; F44-Q321 HydrophobicContact CE1-CG 4.41Å; F44-Q321 HydrophobicContact CZ-CG 3.94Å; Y317-Q321 WeakPolarHBondContact O-CG 3.33Å; Y317-Q321 PolarHBondContact O-N 3.02Å; L318-Q321 PolarHBondContact O-N 3.23Å
322	Q	70.1	Confident	61.1	Low	124 Å²	124	75.2 Å²	75.2	58%	0.579	45%	0.445	S	S	*	.	H	α-helix	trans	-65.8	-44.7	174.2	-69.6	174.8	31.5	0	0	111.2	L318 D319 G324 S325	L318-Q322 WeakPolarHBondContact O-CG 3.42Å; L318-Q322 PolarHBondContact O-N 3.49Å; D319-Q322 PolarHBondContact O-N 3.43Å; Q322-G324 VanDerWaalsContact C-N 3.31Å; Q322-G324 PolarHBondContact O-N 2.71Å; Q322-S325 WeakPolarHBondContact O-CB 3.46Å; Q322-S325 PolarHBondContact O-N 3.37Å; Q322-S325 PolarHBondContact O-OG 2.96Å
323	S	59.6	Low	58.3	Low	83 Å²	83	82.3 Å²	82.3	58%	0.58	48%	0.483	S	S	*	.	H	α-helix	trans	-62.6	-36.4	179.5	-56	0	0	0	0	112.6	D319 E320 S325 S326	D319-S323 VanDerWaalsContact O-CB 3.31Å; D319-S323 WeakPolarHBondContact O-CB 3.18Å; D319-S323 PolarHBondContact O-N 2.86Å; D319-S323 PolarHBondContact O-OG 3.04Å; E320-S323 PolarHBondContact O-N 3.38Å; S323-S325 PolarHBondContact O-N 3.39Å; S323-S326 PolarHBondContact O-N 3.28Å
324	G	48.3	Very low	55.2	Low	59 Å²	59	81.9 Å²	81.9	61%	0.608	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-6.1	177.4	0	0	0	0	0	115.5	E320 Q322	E320-G324 PolarHBondContact O-N 3.13Å; Q322-G324 VanDerWaalsContact C-N 3.31Å; Q322-G324 PolarHBondContact O-N 2.71Å
325	S	39.8	Very low	52.4	Low	95 Å²	95	88.9 Å²	88.9	66%	0.664	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-1.4	177.1	72.7	0	0	0	0	114.8	Q322 S323	Q322-S325 WeakPolarHBondContact O-CB 3.46Å; Q322-S325 PolarHBondContact O-N 3.37Å; Q322-S325 PolarHBondContact O-OG 2.96Å; S323-S325 PolarHBondContact O-N 3.39Å
326	S	29.6	Very low	49.5	Very low	117 Å²	117	95.2 Å²	95.2	82%	0.818	57%	0.574	S	S	*	*	S	Bend	trans	-142.7	18.6	-176	-66.7	0	0	0	0	114.6	S323	S323-S326 PolarHBondContact O-N 3.28Å
327	A	27.4	Very low	46.4	Very low	72 Å²	72	102.1 Å²	102.1	60%	0.595	62%	0.616	S	S	*	*	S	Bend	trans	-127.8	132.6	171.1	0	0	0	0	0	109.8
328	E	26.5	Very low	43.5	Very low	195 Å²	195	109.5 Å²	109.5	91%	0.911	65%	0.652	S	S	*	*			trans	-63.8	146.7	170.7	-67.2	-171.2	132.6	0	0	110.4	S330	E328-S330 PolarHBondContact O-N 3.29Å
329	V	30.7	Very low	40.6	Very low	134 Å²	134	112.9 Å²	112.9	81%	0.812	68%	0.678	S	S	*	*			trans	-71.8	99.1	-172.9	-178.6	0	0	0	0	110.2	S331	V329-S331 VanDerWaalsContact C-N 3.25Å; V329-S331 PolarHBondContact O-N 3.15Å
330	S	27.6	Very low	38	Very low	110 Å²	110	118.2 Å²	118.2	77%	0.769	71%	0.711	S	S	*	*			trans	-71	84	163	61.5	0	0	0	0	109.3	E328 L332	E328-S330 PolarHBondContact O-N 3.29Å; S330-L332 PolarHBondContact O-N 3.01Å; S330-L332 VanDerWaalsContact O-N 3.11Å
331	S	25.5	Very low	35.2	Very low	101 Å²	101	123.3 Å²	123.3	71%	0.706	74%	0.74	S	S	*	*			trans	-70.8	100	-176.4	54.2	0	0	0	0	112.1	V329	V329-S331 VanDerWaalsContact C-N 3.25Å; V329-S331 PolarHBondContact O-N 3.15Å
332	L	27.8	Very low	33.1	Very low	152 Å²	152	127.6 Å²	127.6	80%	0.796	77%	0.765	S	S	*	*			trans	-140.1	121	165	-66.8	173.2	0	0	0	106.3	S330	S330-L332 PolarHBondContact O-N 3.01Å; S330-L332 VanDerWaalsContact O-N 3.11Å
333	D	29.6	Very low	31	Very low	152 Å²	152	128 Å²	128	81%	0.813	77%	0.772	S	S	*	*			cis	-128.6	158.3	2.5	-61.9	-54.9	0	0	0	110.7
334	G	25.9	Very low	29.6	Very low	82 Å²	82	131.1 Å²	131.1	85%	0.845	78%	0.781	S	S	*	*			trans	-148.4	35.4	-169.2	0	0	0	0	0	115.1
335	E	30.1	Very low	28.7	Very low	178 Å²	178	134 Å²	134	83%	0.832	79%	0.79	S	S	*	*			trans	-134	131.8	175.2	-66.1	178.7	165	0	0	106.2
336	D	28.6	Very low	28	Very low	139 Å²	139	132.5 Å²	132.5	74%	0.743	79%	0.79	S	S	*	*			cis	-133.1	153.4	5.8	-69	-59	0	0	0	112.1
337	V	27.5	Very low	27.8	Very low	151 Å²	151	136 Å²	136	92%	0.915	79%	0.794	S	S	*	*			trans	-132	78	161.4	-174.7	0	0	0	0	108.4
338	E	29.2	Very low	27.9	Very low	181 Å²	181	138.8 Å²	138.8	85%	0.846	80%	0.803	S	S	*	*			trans	-78.9	123.6	167.8	-75.2	-153	134.4	0	0	110.8
339	S	25.8	Very low	27.8	Very low	102 Å²	102	133.8 Å²	133.8	71%	0.713	80%	0.795	S	S	*	*			trans	-79.7	129.2	173.3	53	0	0	0	0	111.4
340	V	31	Very low	27.5	Very low	140 Å²	140	133 Å²	133	85%	0.848	80%	0.796	S	S	*	*			trans	-135.2	78	162.5	-79.6	0	0	0	0	110.3
341	D	25.3	Very low	27.3	Very low	158 Å²	158	131.8 Å²	131.8	85%	0.845	79%	0.787	S	S	*	*			trans	-75.4	127.1	152	-63.1	-65.7	0	0	0	108.2
342	D	29.5	Very low	27.4	Very low	155 Å²	155	137.9 Å²	137.9	83%	0.829	80%	0.795	S	S	*	*				-168.2	166.4	112.6	-154.7	10.3	0	0	0	111.7
343	D	26.5	Very low	27.3	Very low	133 Å²	133	135.6 Å²	135.6	71%	0.711	79%	0.792	S	S	*	*			trans	-44	155.4	-177.9	-96.1	-31.7	0	0	0	116.7
344	L	30.4	Very low	27	Very low	148 Å²	148	131.8 Å²	131.8	78%	0.775	77%	0.771	S	S	*	*				-170.9	136.5	66.5	-167.8	68.6	0	0	0	114.4
345	C	28.6	Very low	27.1	Very low	118 Å²	118	132.2 Å²	132.2	80%	0.797	76%	0.761	S	S	*	*			trans	33.4	143.9	154.3	-59.3	0	0	0	0	122.6
346	G	26	Very low	26.9	Very low	65 Å²	65	127.8 Å²	127.8	67%	0.67	74%	0.743	S	S	*	*			cis	162.2	157.8	-1.6	0	0	0	0	0	112.9
347	E	24.5	Very low	26.6	Very low	191 Å²	191	127 Å²	127	89%	0.893	74%	0.743	S	S	*	*			trans	60.6	140.4	170.9	-44.1	-163.1	134.9	0	0	117.5
348	T	29.9	Very low	26.5	Very low	129 Å²	129	125.3 Å²	125.3	79%	0.791	74%	0.738	S	S	*	*			cis	-152.1	141.3	35.7	43.9	0	0	0	0	114.7
349	A	24.2	Very low	26.4	Very low	90 Å²	90	124.7 Å²	124.7	74%	0.744	74%	0.737	S	S	*	*			trans	21.7	119.5	146.4	0	0	0	0	0	124.1
350	S	23.8	Very low	26.4	Very low	118 Å²	118	126.1 Å²	126.1	83%	0.825	73%	0.732	S	S	*	*				109.8	159.6	118.4	84.2	0	0	0	0	122.3
351	S	24.8	Very low	26.1	Very low	85 Å²	85	124.8 Å²	124.8	59%	0.594	73%	0.729	S	S	*	*			trans	88.2	89.7	152.3	-174	0	0	0	0	121.5
352	R	25.9	Very low	26.3	Very low	228 Å²	228	124.9 Å²	124.9	86%	0.86	73%	0.729	S	S	*	*				92.1	123.7	121.1	-74.3	178.4	174.1	143.8	-4.4	122.7
353	S	26.7	Very low	26	Very low	105 Å²	105	128.6 Å²	128.6	73%	0.734	73%	0.731	S	S	*	*			trans	89	118.2	131.1	-64.8	0	0	0	0	120.4
354	D	23.5	Very low	26	Very low	71 Å²	71	128.2 Å²	128.2	38%	0.38	74%	0.739	S	S	.	*			trans	-86.5	148.9	167.5	48.6	167.1	0	0	0	114.1	K64	K64-D354 WeakPolarHBondContact CB-OD1 3.5Å; K64-D354 VanDerWaalsContact CD-OD2 3.23Å; K64-D354 WeakPolarHBondContact CD-OD2 3.38Å; K64-D354 WeakPolarHBondContact CE-OD2 2.94Å; K64-D354 VanDerWaalsContact CG-OD1 3.26Å; K64-D354 WeakPolarHBondContact CG-OD1 3.4Å; K64-D354 PolarHBondContact N-OD1 2.73Å; K64-D354 PolarHBondContact NZ-O 3.37Å; K64-D354 IonicContact NZ-OD2 3.96Å; K64-D354 PolarHBondContact NZ-OD2 2.76Å
355	S	27.1	Very low	25.9	Very low	91 Å²	91	124.1 Å²	124.1	64%	0.636	73%	0.732	S	S	*	*			trans	-151.5	117.4	149.4	-93.2	0	0	0	0	107.2
356	L	25.5	Very low	25.7	Very low	85 Å²	85	122 Å²	122	45%	0.445	73%	0.731	S	S	.	*				71.2	120.5	80.9	-66	-179	0	0	0	113.9	Q65	Q65-L356 HydrophobicContact CB-CD2 4.3Å; Q65-L356 VanDerWaalsContact CD-CD2 3.49Å; Q65-L356 HydrophobicContact CG-CD2 3.68Å
357	T	23.5	Very low	25.8	Very low	123 Å²	123	124.8 Å²	124.8	76%	0.755	74%	0.74	S	S	*	*			trans	42.5	111	154.1	57.6	0	0	0	0	119.4
358	S	25.7	Very low	26.1	Very low	115 Å²	115	121.9 Å²	121.9	80%	0.804	74%	0.735	S	S	*	*			trans	-135.6	122.8	149.7	-176.7	0	0	0	0	109.6
359	M	26.7	Very low	26.3	Very low	168 Å²	168	121 Å²	121	83%	0.828	73%	0.732	S	S	*	*			trans	-65.3	166.8	168	-73.6	-70.7	-171.9	0	0	111.2	S361	M359-S361 PolarHBondContact O-N 3.48Å
360	H	25.2	Very low	26.4	Very low	133 Å²	133	122.6 Å²	122.6	62%	0.616	73%	0.734	S	S	*	*			trans	-51	134.5	-177.7	-69.6	-90.6	0	0	0	113.8	H36	H36-H360 AromaticContact NE2-CE1 3.99Å
361	S	25.7	Very low	26.6	Very low	111 Å²	111	121.5 Å²	121.5	78%	0.776	73%	0.732	S	S	*	*			trans	-112.9	81.4	157.2	-78.9	0	0	0	0	109	M359 R363	M359-S361 PolarHBondContact O-N 3.48Å; S361-R363 PolarHBondContact O-N 2.94Å; S361-R363 VanDerWaalsContact O-N 3.1Å
362	L	29.8	Very low	26.7	Very low	160 Å²	160	125.4 Å²	125.4	84%	0.838	75%	0.745	S	S	*	*			trans	-67.3	106.7	168	-74.4	172.1	0	0	0	109
363	R	23	Very low	26.8	Very low	234 Å²	234	125.9 Å²	125.9	88%	0.883	75%	0.747	S	S	*	*			trans	-108.9	157.3	165.7	-95.3	-172.8	164.2	-143.4	-5.3	109.3	S361	S361-R363 PolarHBondContact O-N 2.94Å; S361-R363 VanDerWaalsContact O-N 3.1Å
364	S	25.8	Very low	27	Very low	124 Å²	124	128 Å²	128	87%	0.867	75%	0.75	S	S	*	*			trans	78.8	136.6	-171.7	-153.1	0	0	0	0	113.5
365	G	29	Very low	27.3	Very low	62 Å²	62	130.3 Å²	130.3	64%	0.639	77%	0.772	S	S	*	*			cis	-149.1	138.2	0.1	0	0	0	0	0	112
366	G	24.1	Very low	27.3	Very low	74 Å²	74	133.3 Å²	133.3	76%	0.763	78%	0.779	S	S	*	*			trans	-86	107.9	171	0	0	0	0	0	110	V368	G366-V368 PolarHBondContact O-N 3Å
367	S	28.2	Very low	27.6	Very low	124 Å²	124	136.6 Å²	136.6	87%	0.867	80%	0.797	S	S	*	*			trans	-74.6	92	172.5	-60.1	0	0	0	0	110.2
368	V	29.2	Very low	27.9	Very low	129 Å²	129	134.9 Å²	134.9	78%	0.782	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-81.6	122.2	172	-166.9	0	0	0	0	108.5	G366	G366-V368 PolarHBondContact O-N 3Å
369	P	34	Very low	28	Very low	112 Å²	112	136 Å²	136	73%	0.727	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-70.3	143.2	174.7	29.4	-33.9	0	0	0	110.6
370	P	26.8	Very low	28.1	Very low	123 Å²	123	132.9 Å²	132.9	80%	0.799	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-78.7	160.3	-179.5	32.7	-35.7	0	0	0	112.8
371	A	27.6	Very low	28.5	Very low	94 Å²	94	131.1 Å²	131.1	78%	0.777	79%	0.789	S	S	*	*			trans	60.8	81	160	0	0	0	0	0	118.3
372	L	28.8	Very low	28.7	Very low	167 Å²	167	133 Å²	133	87%	0.874	79%	0.79	S	S	*	*			trans	-117.4	100.8	135.6	-99.7	172.7	0	0	0	109.5
373	R	27	Very low	28.8	Very low	238 Å²	238	134.6 Å²	134.6	90%	0.898	79%	0.79	S	S	*	*			trans	-113.6	78.4	-177.9	-172.5	-165	-166.4	-171	6.5	109.3
374	N	30.1	Very low	29	Very low	150 Å²	150	133.4 Å²	133.4	80%	0.802	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-102.7	123.8	172.2	-87.1	-7.4	0	0	0	110.9
375	S	29.7	Very low	29.2	Very low	119 Å²	119	132.2 Å²	132.2	83%	0.832	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-73.1	153.1	170.3	-67.8	0	0	0	0	111.1
376	I	28.5	Very low	29.2	Very low	155 Å²	155	137.8 Å²	137.8	80%	0.795	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-80	129.3	176.1	-57.6	157.3	0	0	0	109.3
377	N	30.7	Very low	29.3	Very low	153 Å²	153	142.4 Å²	142.4	82%	0.818	80%	0.802	S	S	*	*			trans	169.2	141.2	146.5	-87.6	-18.1	0	0	0	108.5
378	S	30.7	Very low	29.3	Very low	87 Å²	87	141.4 Å²	141.4	61%	0.608	80%	0.802	S	S	*	*			cis	-170.1	146	-5.8	49.2	0	0	0	0	110.1
379	V	27.7	Very low	29.3	Very low	140 Å²	140	139.2 Å²	139.2	85%	0.848	81%	0.805	S	S	*	*			trans	57.5	146.1	160.7	-63.4	0	0	0	0	118.6
380	S	29.5	Very low	29	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	81%	0.809	S	S	*	*			cis	-163.6	172	-4.6	40.3	0	0	0	0	111.4
381	S	32.3	Very low	29	Very low	96 Å²	96	143.7 Å²	143.7	67%	0.671	81%	0.812	S	S	*	*			trans	91.6	108.4	150.4	-58.1	0	0	0	0	121
382	L	30.4	Very low	29.1	Very low	150 Å²	150	142.2 Å²	142.2	79%	0.785	81%	0.806	S	S	*	*				62.4	141.2	129	-56.1	166.8	0	0	0	119
383	K	31.7	Very low	29.2	Very low	193 Å²	193	140.5 Å²	140.5	84%	0.839	80%	0.802	S	S	*	*			cis	-157.4	170.2	4.6	-137.2	165.8	-176.5	176.9	0	111
384	K	27.6	Very low	29.2	Very low	209 Å²	209	136.3 Å²	136.3	91%	0.909	80%	0.803	S	S	*	*			trans	-77.7	151.5	178.1	-57.3	174.1	177.4	179.7	0	113.7
385	A	30.2	Very low	29.2	Very low	100 Å²	100	132.7 Å²	132.7	83%	0.826	80%	0.801	S	S	*	*			trans	-164.5	173.5	138.3	0	0	0	0	0	110.9
386	Q	28.1	Very low	29.1	Very low	179 Å²	179	133.9 Å²	133.9	84%	0.836	80%	0.798	S	S	*	*			trans	-138	169.6	-172.2	-62.9	167.7	-103.6	0	0	112.8
387	M	26.5	Very low	29	Very low	171 Å²	171	130.3 Å²	130.3	84%	0.842	79%	0.786	S	S	*	*			trans	79.2	118.7	154.8	-72.2	-68	-163.8	0	0	121.4
388	A	28.4	Very low	28.8	Very low	103 Å²	103	134.2 Å²	134.2	85%	0.851	79%	0.792	S	S	*	*			trans	63.5	141.7	134.4	0	0	0	0	0	122.4
389	G	29	Very low	28.6	Very low	82 Å²	82	134 Å²	134	85%	0.845	80%	0.803	S	S	*	*			trans	151.6	105.9	162.4	0	0	0	0	0	116.3
390	M	28.3	Very low	28.6	Very low	168 Å²	168	132.4 Å²	132.4	83%	0.828	80%	0.798	S	S	*	*			trans	-60.9	159.8	-179	-83.1	156	51	0	0	119.1
391	L	26.8	Very low	28.4	Very low	161 Å²	161	135 Å²	135	84%	0.843	80%	0.804	S	S	*	*			trans	79.8	147.3	145	-76.1	163.3	0	0	0	122.8
392	G	28.8	Very low	28	Very low	63 Å²	63	135.7 Å²	135.7	65%	0.649	81%	0.809	S	S	*	*			trans	97	90.8	158.6	0	0	0	0	0	116.6
393	T	30.5	Very low	28.5	Very low	131 Å²	131	133.1 Å²	133.1	80%	0.804	80%	0.801	S	S	*	*				81.9	112.6	64.5	64.4	0	0	0	0	117.4
394	V	28.1	Very low	28.2	Very low	151 Å²	151	130 Å²	130	92%	0.915	79%	0.794	S	S	*	*			trans	74	134.2	154.2	-176.8	0	0	0	0	119
395	G	29.4	Very low	28.3	Very low	73 Å²	73	127.1 Å²	127.1	75%	0.753	78%	0.783	S	S	*	*			trans	169.1	126.1	170.3	0	0	0	0	0	113
396	D	27.8	Very low	28.1	Very low	144 Å²	144	129.2 Å²	129.2	77%	0.77	78%	0.78	S	S	*	*			trans	-85	137.4	-162.8	-94.9	-71.7	0	0	0	118.3
397	S	26.9	Very low	28.1	Very low	80 Å²	80	128.1 Å²	128.1	56%	0.559	78%	0.779	S	S	*	*				44.3	141.6	117.3	-46.5	0	0	0	0	124.3
398	Y	26.5	Very low	28.1	Very low	236 Å²	236	125.1 Å²	125.1	93%	0.925	78%	0.775	S	S	*	*			trans	81.6	144.2	159.7	-58.1	-72.2	0	0	0	121
399	G	27.2	Very low	28.1	Very low	83 Å²	83	124.4 Å²	124.4	86%	0.856	77%	0.769	S	S	*	*			trans	136.3	97.6	164.8	0	0	0	0	0	114.7
400	S	26.4	Very low	28.1	Very low	105 Å²	105	125.3 Å²	125.3	73%	0.734	76%	0.761	S	S	*	*			trans	-99.4	147	161.1	62.7	0	0	0	0	110.2
401	D	25.7	Very low	28.1	Very low	156 Å²	156	124.4 Å²	124.4	83%	0.834	76%	0.76	S	S	*	*				173.1	177.1	120.5	-86.5	4.4	0	0	0	111.9
402	S	24.7	Very low	28.2	Very low	111 Å²	111	127 Å²	127	78%	0.776	76%	0.758	S	S	*	*			trans	-127.4	-170.2	-174.2	-139.7	0	0	0	0	108.8
403	P	39.3	Very low	28.2	Very low	96 Å²	96	130.4 Å²	130.4	62%	0.623	76%	0.762	S	S	*	*			cis	-135.9	-148.8	-9.5	35.3	-11.7	0	0	0	112.3
404	N	27.3	Very low	27.9	Very low	129 Å²	129	132.4 Å²	132.4	69%	0.69	76%	0.762	S	S	*	*			trans	80	149	157.8	-69.9	-19	0	0	0	118.7
405	Q	28.9	Very low	27.8	Very low	147 Å²	147	133.1 Å²	133.1	69%	0.687	76%	0.76	S	S	*	*			cis	-157	146.6	3.2	-127	169.9	52.8	0	0	115.6
406	L	25	Very low	27.5	Very low	144 Å²	144	133.6 Å²	133.6	75%	0.754	76%	0.757	S	S	*	*			trans	42.5	130.3	142.6	-73.2	168.7	0	0	0	124.8
407	L	28.4	Very low	27.3	Very low	156 Å²	156	135.2 Å²	135.2	82%	0.817	76%	0.76	S	S	*	*				-180	123.8	102.3	-92.1	169.7	0	0	0	110.8
408	S	27.8	Very low	27.2	Very low	109 Å²	109	136.7 Å²	136.7	76%	0.762	77%	0.765	S	S	*	*				70.5	129.1	99.9	-172.7	0	0	0	0	115.7
409	A	28.2	Very low	27.1	Very low	88 Å²	88	130.7 Å²	130.7	73%	0.727	76%	0.758	S	S	*	*			cis	-160	-173	-9.9	0	0	0	0	0	107.8
410	C	29.2	Very low	27	Very low	101 Å²	101	133.5 Å²	133.5	68%	0.682	76%	0.758	S	S	*	*			cis	-163.1	152.5	17.3	53.1	0	0	0	0	112.6
411	N	27	Very low	26.9	Very low	149 Å²	149	133.1 Å²	133.1	80%	0.797	76%	0.755	S	S	*	*			trans	51.8	152.4	145.6	-51.1	-3.8	0	0	0	120.7
412	R	29.2	Very low	26.9	Very low	214 Å²	214	134.3 Å²	134.3	81%	0.808	76%	0.756	S	S	*	*			cis	-153.9	124.7	17.9	-162.6	175.7	180	179.1	-3.5	114.6
413	D	28.3	Very low	27	Very low	136 Å²	136	134.1 Å²	134.1	73%	0.727	75%	0.75	S	S	*	*			trans	41.5	148.1	142.2	-40.8	-30.3	0	0	0	124.9
414	Q	24.5	Very low	26.6	Very low	172 Å²	172	136 Å²	136	80%	0.804	76%	0.755	S	S	*	*			trans	-108.3	170.2	166.2	-57.4	168.3	-7.8	0	0	110
415	L	25.8	Very low	26.6	Very low	166 Å²	166	136.4 Å²	136.4	87%	0.869	76%	0.757	S	S	*	*				167.3	168.3	116.4	-88.9	170.2	0	0	0	113.4
416	A	24.1	Very low	26.7	Very low	84 Å²	84	135.4 Å²	135.4	69%	0.694	76%	0.761	S	S	*	*			trans	-92.9	-167.6	171.2	0	0	0	0	0	110.4
417	E	22.4	Very low	27	Very low	178 Å²	178	131.1 Å²	131.1	83%	0.832	75%	0.751	S	S	*	*			cis	-167.7	179.3	20.2	-151.8	-179.8	-157.7	0	0	111.5
418	V	25	Very low	27.2	Very low	110 Å²	110	132.3 Å²	132.3	67%	0.667	75%	0.75	S	S	*	*			trans	58	105.2	159.5	-168	0	0	0	0	121.9
419	S	24	Very low	27.1	Very low	110 Å²	110	134.9 Å²	134.9	77%	0.769	75%	0.75	S	S	*	*				27.5	158.4	123.2	-46.9	0	0	0	0	126.5
420	V	25	Very low	27.1	Very low	143 Å²	143	138.3 Å²	138.3	87%	0.867	75%	0.751	S	S	*	*			trans	111.5	155.9	157.4	-172.7	0	0	0	0	115.6
421	S	24.4	Very low	27.2	Very low	97 Å²	97	140.1 Å²	140.1	68%	0.678	75%	0.752	S	S	*	*			trans	-142.9	-166.7	-141.9	58	0	0	0	0	115.5
422	Q	26.9	Very low	27.5	Very low	180 Å²	180	141.2 Å²	141.2	84%	0.841	76%	0.757	S	S	*	*			trans	94.5	143.5	170.3	-64.2	-173.2	-15.2	0	0	117.4
423	T	26.2	Very low	27.9	Very low	107 Å²	107	135.4 Å²	135.4	66%	0.656	76%	0.755	S	S	*	*			cis	-139.2	-171.1	-10.1	39.7	0	0	0	0	109
424	D	30.2	Very low	28.4	Very low	136 Å²	136	136 Å²	136	73%	0.727	76%	0.758	S	S	*	*			cis	-131.8	-178.9	7.9	-75.4	-85.6	0	0	0	109.4
425	D	28.5	Very low	29	Very low	137 Å²	137	132.3 Å²	132.3	73%	0.733	75%	0.749	S	S	*	*				46.7	145	57.7	-129.2	38.7	0	0	0	115.5
426	V	31.3	Very low	29.9	Very low	127 Å²	127	130.3 Å²	130.3	77%	0.77	74%	0.739	S	S	*	*			cis	-134.3	151.4	17.7	-169.2	0	0	0	0	109.5
427	G	30.8	Very low	30.7	Very low	53 Å²	53	133.9 Å²	133.9	55%	0.546	74%	0.742	S	S	.	*			cis	148.8	173.4	-2.4	0	0	0	0	0	111.7
428	K	33.2	Very low	31.8	Very low	182 Å²	182	131.1 Å²	131.1	79%	0.791	73%	0.728	S	S	*	*			trans	70.4	107.2	176.2	-64.3	-170.8	179	-178.6	0	117.2
429	Q	25.2	Very low	32.9	Very low	162 Å²	162	133.4 Å²	133.4	76%	0.757	73%	0.729	S	S	*	*				85.3	130.9	90	-91.1	173.3	-45.5	0	0	112.5
430	E	29	Very low	34.1	Very low	160 Å²	160	133.5 Å²	133.5	75%	0.748	72%	0.718	S	S	*	*			cis	-145.2	163.8	27	-69.5	-170.9	121.9	0	0	115.6
431	I	29.6	Very low	35.2	Very low	140 Å²	140	134.3 Å²	134.3	72%	0.718	71%	0.705	S	S	*	*			trans	42.5	109.8	148.8	-55.5	154.5	0	0	0	119.9
432	L	33.1	Very low	36.7	Very low	172 Å²	172	134.5 Å²	134.5	90%	0.901	70%	0.698	S	S	*	*				-173	175.5	127.4	-102	166.9	0	0	0	111.6
433	A	38	Very low	38.1	Very low	91 Å²	91	132.3 Å²	132.3	75%	0.752	69%	0.688	S	S	*	*			trans	-77.1	159.5	-158.8	0	0	0	0	0	118
434	N	39.1	Very low	39.3	Very low	148 Å²	148	134.3 Å²	134.3	79%	0.791	68%	0.683	S	S	*	*			trans	-59.4	135.4	-176.2	-74.5	0.8	0	0	0	115.2
435	P	38.2	Very low	40.4	Very low	95 Å²	95	133.6 Å²	133.6	62%	0.617	67%	0.674	S	S	*	*			trans	-93.8	-4.8	177.8	36.1	-35.7	0	0	0	116	Q437 E438	P435-Q437 PolarHBondContact O-N 3.46Å; P435-Q437 VanDerWaalsContact O-N 3.08Å; P435-E438 PolarHBondContact O-N 2.91Å
436	D	43.7	Very low	41.6	Very low	125 Å²	125	134 Å²	134	67%	0.668	67%	0.671	S	S	*	*	H	α-helix	trans	-65.9	-14.9	-171	-74.5	-47.4	0	0	0	115.4	E438	D436-E438 VanDerWaalsContact C-N 3.32Å
437	Q	41.8	Very low	42.6	Very low	159 Å²	159	132.9 Å²	132.9	74%	0.743	66%	0.661	S	S	*	*	H	α-helix	trans	-80.5	-6.4	173.6	-68.5	-170.5	-10.2	0	0	114.2	P435 R441	P435-Q437 PolarHBondContact O-N 3.46Å; P435-Q437 VanDerWaalsContact O-N 3.08Å; Q437-R441 WeakPolarHBondContact O-CD 3.39Å; Q437-R441 VanDerWaalsContact O-CG 3.29Å; Q437-R441 WeakPolarHBondContact O-CG 3.34Å
438	E	43.9	Very low	43.6	Very low	119 Å²	119	135.2 Å²	135.2	56%	0.556	66%	0.66	S	S	*	*	H	α-helix	trans	-86.4	-31.9	-176.5	-166.8	140.7	-122.9	0	0	113.4	P435 D436 R441 L442	P435-E438 PolarHBondContact O-N 2.91Å; D436-E438 VanDerWaalsContact C-N 3.32Å; E438-R441 PolarHBondContact O-N 2.89Å; E438-L442 HydrophobicContact CG-CD1 4.17Å; E438-L442 WeakPolarHBondContact O-CG 3.47Å; E438-L442 PolarHBondContact O-N 3.33Å
439	K	49.9	Very low	44.5	Very low	158 Å²	158	131.9 Å²	131.9	69%	0.687	65%	0.65	S	S	*	*	H	α-helix	trans	-65.1	-46.1	176.9	-75	178.4	179.3	169.3	0	112.4	R441 L442 Q443	K439-R441 VanDerWaalsContact C-N 3.31Å; K439-R441 PolarHBondContact O-N 2.73Å; K439-L442 PolarHBondContact O-N 2.8Å; K439-Q443 PolarHBondContact O-N 2.89Å
440	E	47.7	Very low	45.8	Very low	112 Å²	112	127.1 Å²	127.1	52%	0.523	64%	0.639	S	S	.	*	H	α-helix	trans	-62.3	-37.2	173.5	-78.5	-154.5	99.3	0	0	112.5	L442 R444	E440-L442 VanDerWaalsContact C-N 3.34Å; E440-R444 WeakPolarHBondContact O-CB 3.42Å; E440-R444 WeakPolarHBondContact O-CG 3.36Å; E440-R444 PolarHBondContact O-N 3.01Å; E440-R444 IonicContact OE1-CZ 2.76Å; E440-R444 IonicContact OE1-NE 2.67Å; E440-R444 IonicContact OE1-NH2 3.16Å; E440-R444 PolarHBondContact OE1-NH2 3.11Å; E440-R444 IonicContact OE2-NH2 2.69Å
441	R	48.9	Very low	46.6	Very low	161 Å²	161	122.4 Å²	122.4	61%	0.608	62%	0.623	S	S	*	*	H	α-helix	trans	-70.6	-28.1	176.8	-74.7	178.4	77.3	-150.2	9.5	113	Q437 E438 K439 K445	Q437-R441 WeakPolarHBondContact O-CD 3.39Å; Q437-R441 VanDerWaalsContact O-CG 3.29Å; Q437-R441 WeakPolarHBondContact O-CG 3.34Å; E438-R441 PolarHBondContact O-N 2.89Å; K439-R441 VanDerWaalsContact C-N 3.31Å; K439-R441 PolarHBondContact O-N 2.73Å; R441-K445 VanDerWaalsContact O-CB 3.29Å; R441-K445 WeakPolarHBondContact O-CB 3.22Å; R441-K445 VanDerWaalsContact O-CG 3.26Å; R441-K445 WeakPolarHBondContact O-CG 3.35Å; R441-K445 PolarHBondContact O-N 3.03Å
442	L	55.5	Low	47.3	Very low	100 Å²	100	124.7 Å²	124.7	52%	0.524	62%	0.623	S	S	.	*	H	α-helix	trans	-73.1	-47.1	172.4	-78.9	163.8	0	0	0	111.1	E438 K439 E440 K445 E446	E438-L442 HydrophobicContact CG-CD1 4.17Å; E438-L442 WeakPolarHBondContact O-CG 3.47Å; E438-L442 PolarHBondContact O-N 3.33Å; K439-L442 PolarHBondContact O-N 2.8Å; E440-L442 VanDerWaalsContact C-N 3.34Å; L442-K445 WeakPolarHBondContact O-CA 3.32Å; L442-K445 VanDerWaalsContact O-CB 3.29Å; L442-K445 WeakPolarHBondContact O-CB 3.33Å; L442-K445 PolarHBondContact O-N 2.81Å; L442-E446 PolarHBondContact O-N 3.04Å
443	Q	57.5	Low	47.9	Very low	134 Å²	134	126.6 Å²	126.6	63%	0.626	62%	0.618	S	S	*	*	H	α-helix	trans	-66.3	-44.8	-178.8	-157	154.3	0.1	0	0	111.7	K439 K445 E446 D447	K439-Q443 PolarHBondContact O-N 2.89Å; Q443-K445 PolarHBondContact O-N 3.23Å; Q443-E446 PolarHBondContact O-N 3.38Å; Q443-D447 PolarHBondContact O-N 3.05Å
444	R	50.9	Low	48.2	Very low	149 Å²	149	126.9 Å²	126.9	56%	0.562	62%	0.615	S	S	*	*	H	α-helix	trans	-63.7	-24.6	171.1	-65.2	-176.7	-161.2	-170.7	10.1	113.2	E440 I448	E440-R444 WeakPolarHBondContact O-CB 3.42Å; E440-R444 WeakPolarHBondContact O-CG 3.36Å; E440-R444 PolarHBondContact O-N 3.01Å; E440-R444 IonicContact OE1-CZ 2.76Å; E440-R444 IonicContact OE1-NE 2.67Å; E440-R444 IonicContact OE1-NH2 3.16Å; E440-R444 PolarHBondContact OE1-NH2 3.11Å; E440-R444 IonicContact OE2-NH2 2.69Å; R444-I448 VanDerWaalsContact O-CB 3.32Å; R444-I448 WeakPolarHBondContact O-CB 3.48Å; R444-I448 WeakPolarHBondContact O-CD1 3.46Å; R444-I448 WeakPolarHBondContact O-CG1 3.28Å; R444-I448 PolarHBondContact O-N 2.61Å; R444-I448 VanDerWaalsContact O-N 3.09Å
445	K	53.7	Low	48.1	Very low	122 Å²	122	129 Å²	129	53%	0.53	61%	0.612	S	S	.	*	H	α-helix	trans	-71.5	-39.9	171	-93.1	176.4	175.8	178.4	0	111.6	R441 L442 Q443 I448 L449	R441-K445 VanDerWaalsContact O-CB 3.29Å; R441-K445 WeakPolarHBondContact O-CB 3.22Å; R441-K445 VanDerWaalsContact O-CG 3.26Å; R441-K445 WeakPolarHBondContact O-CG 3.35Å; R441-K445 PolarHBondContact O-N 3.03Å; L442-K445 WeakPolarHBondContact O-CA 3.32Å; L442-K445 VanDerWaalsContact O-CB 3.29Å; L442-K445 WeakPolarHBondContact O-CB 3.33Å; L442-K445 PolarHBondContact O-N 2.81Å; Q443-K445 PolarHBondContact O-N 3.23Å; K445-I448 PolarHBondContact O-N 3.3Å; K445-L449 VanDerWaalsContact O-CB 3.27Å; K445-L449 WeakPolarHBondContact O-CB 3.45Å; K445-L449 WeakPolarHBondContact O-CD1 2.97Å; K445-L449 WeakPolarHBondContact O-CG 3.28Å; K445-L449 PolarHBondContact O-N 3.4Å
446	E	53	Low	47.9	Very low	144 Å²	144	133.7 Å²	133.7	67%	0.673	62%	0.623	S	S	*	*	H	α-helix	trans	-65.2	-43.5	175.4	-68.3	-163.2	113.6	0	0	111.5	L442 Q443 I448 L449 A450	L442-E446 PolarHBondContact O-N 3.04Å; Q443-E446 PolarHBondContact O-N 3.38Å; E446-I448 PolarHBondContact O-N 3.02Å; E446-L449 CarbonylContact O-C 3.6Å; E446-L449 PolarHBondContact O-N 2.78Å; E446-A450 WeakPolarHBondContact O-CB 3.39Å; E446-A450 PolarHBondContact O-N 3.24Å
447	D	51.6	Low	47.6	Very low	105 Å²	105	131.1 Å²	131.1	56%	0.561	62%	0.619	S	S	*	*	H	α-helix	trans	-61.7	-43.3	175.2	-66.4	-38.2	0	0	0	112.4	Q443 L449 A450 S451	Q443-D447 PolarHBondContact O-N 3.05Å; D447-L449 VanDerWaalsContact C-N 3.34Å; D447-L449 PolarHBondContact O-N 3.34Å; D447-A450 PolarHBondContact O-N 3.41Å; D447-S451 WeakPolarHBondContact O-CB 3.3Å; D447-S451 PolarHBondContact O-N 3.41Å
448	I	52.7	Low	47.5	Very low	101 Å²	101	130 Å²	130	52%	0.518	62%	0.623	S	S	.	*	H	α-helix	trans	-68.7	-32.2	176.6	-70.2	169.1	0	0	0	111.5	R444 K445 E446 R452	R444-I448 VanDerWaalsContact O-CB 3.32Å; R444-I448 WeakPolarHBondContact O-CB 3.48Å; R444-I448 WeakPolarHBondContact O-CD1 3.46Å; R444-I448 WeakPolarHBondContact O-CG1 3.28Å; R444-I448 PolarHBondContact O-N 2.61Å; R444-I448 VanDerWaalsContact O-N 3.09Å; K445-I448 PolarHBondContact O-N 3.3Å; E446-I448 PolarHBondContact O-N 3.02Å; I448-R452 VanDerWaalsContact O-CB 3.31Å; I448-R452 WeakPolarHBondContact O-CB 3.39Å; I448-R452 WeakPolarHBondContact O-CG 3.47Å; I448-R452 PolarHBondContact O-N 3.22Å
449	L	51.2	Low	47.3	Very low	112 Å²	112	132 Å²	132	59%	0.586	64%	0.636	S	S	*	*	H	α-helix	trans	-74.2	-34.9	174.3	-75.7	168.3	0	0	0	112.4	K445 E446 D447 R452 R453	K445-L449 VanDerWaalsContact O-CB 3.27Å; K445-L449 WeakPolarHBondContact O-CB 3.45Å; K445-L449 WeakPolarHBondContact O-CD1 2.97Å; K445-L449 WeakPolarHBondContact O-CG 3.28Å; K445-L449 PolarHBondContact O-N 3.4Å; E446-L449 CarbonylContact O-C 3.6Å; E446-L449 PolarHBondContact O-N 2.78Å; D447-L449 VanDerWaalsContact C-N 3.34Å; D447-L449 PolarHBondContact O-N 3.34Å; L449-R452 PolarHBondContact O-N 2.73Å; L449-R453 WeakPolarHBondContact O-CB 3.17Å; L449-R453 PolarHBondContact O-N 3.37Å
450	A	52.3	Low	47.2	Very low	63 Å²	63	131 Å²	131	52%	0.521	63%	0.628	S	S	.	*	H	α-helix	trans	-63.3	-49	170.1	0	0	0	0	0	110.7	E446 D447 R452 R453 S454	E446-A450 WeakPolarHBondContact O-CB 3.39Å; E446-A450 PolarHBondContact O-N 3.24Å; D447-A450 PolarHBondContact O-N 3.41Å; A450-R452 VanDerWaalsContact C-N 3.33Å; A450-R452 PolarHBondContact O-N 3.08Å; A450-R453 PolarHBondContact O-N 2.81Å; A450-S454 PolarHBondContact O-N 3.48Å
451	S	47.3	Very low	47.6	Very low	61 Å²	61	130.1 Å²	130.1	43%	0.427	63%	0.632	S	S	.	*	H	α-helix	trans	-62.4	-35.8	175.9	-172	0	0	0	0	112.9	D447 S454	D447-S451 WeakPolarHBondContact O-CB 3.3Å; D447-S451 PolarHBondContact O-N 3.41Å; S451-S454 WeakPolarHBondContact O-CB 3.11Å; S451-S454 PolarHBondContact O-N 3.43Å
452	R	42.8	Very low	47.8	Very low	187 Å²	187	128.2 Å²	128.2	71%	0.706	64%	0.638	S	S	*	*	H	α-helix	trans	-75.3	-30.6	174.9	-78.7	-176	166.9	-159.4	-4.8	113.6	I448 L449 A450 S454 R455	I448-R452 VanDerWaalsContact O-CB 3.31Å; I448-R452 WeakPolarHBondContact O-CB 3.39Å; I448-R452 WeakPolarHBondContact O-CG 3.47Å; I448-R452 PolarHBondContact O-N 3.22Å; L449-R452 PolarHBondContact O-N 2.73Å; A450-R452 VanDerWaalsContact C-N 3.33Å; A450-R452 PolarHBondContact O-N 3.08Å; R452-S454 PolarHBondContact O-N 2.97Å; R452-R455 PolarHBondContact O-N 2.77Å; R452-R455 VanDerWaalsContact O-N 3.17Å
453	R	45.5	Very low	48	Very low	212 Å²	212	125.9 Å²	125.9	80%	0.8	64%	0.638	S	S	*	*	H	α-helix	trans	-61	-24.3	170.6	-97.3	-177.7	168.4	169.6	-1.6	113.1	L449 A450 R455	L449-R453 WeakPolarHBondContact O-CB 3.17Å; L449-R453 PolarHBondContact O-N 3.37Å; A450-R453 PolarHBondContact O-N 2.81Å; R453-R455 VanDerWaalsContact C-N 3.32Å; R453-R455 PolarHBondContact O-N 3.18Å
454	S	45.4	Very low	48.2	Very low	98 Å²	98	122.6 Å²	122.6	69%	0.685	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-18.3	176.4	-179	0	0	0	0	114.3	A450 S451 R452	A450-S454 PolarHBondContact O-N 3.48Å; S451-S454 WeakPolarHBondContact O-CB 3.11Å; S451-S454 PolarHBondContact O-N 3.43Å; R452-S454 PolarHBondContact O-N 2.97Å
455	R	36.9	Very low	48.5	Very low	193 Å²	193	118.8 Å²	118.8	73%	0.728	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.1	7.1	-171.7	-83.4	-176.5	-81.7	-173.5	-8.2	116.8	R452 R453	R452-R455 PolarHBondContact O-N 2.77Å; R452-R455 VanDerWaalsContact O-N 3.17Å; R453-R455 VanDerWaalsContact C-N 3.32Å; R453-R455 PolarHBondContact O-N 3.18Å
456	F	33.4	Very low	49.2	Very low	193 Å²	193	115.5 Å²	115.5	85%	0.846	61%	0.612	S	S	*	*			trans	-144.5	81.7	168	-105.1	-87.3	0	0	0	110.2
457	A	36.6	Very low	49.8	Very low	71 Å²	71	117 Å²	117	59%	0.587	61%	0.612	S	S	*	*			trans	-138.2	32.3	-173.8	0	0	0	0	0	113.6	I459	A457-I459 PolarHBondContact O-N 3.38Å
458	T	41.2	Very low	50.2	Low	135 Å²	135	115.7 Å²	115.7	83%	0.828	60%	0.603	S	S	*	*			trans	-70.8	3.8	-173.6	-31	0	0	0	0	114.7
459	I	39.7	Very low	50.6	Low	160 Å²	160	117.1 Å²	117.1	82%	0.821	61%	0.607	S	S	*	*			trans	-133.2	94.1	175.2	-54	178.9	0	0	0	108.9	A457	A457-I459 PolarHBondContact O-N 3.38Å
460	R	47.2	Very low	51.3	Low	138 Å²	138	116.2 Å²	116.2	52%	0.521	61%	0.606	S	S	.	*			trans	-74.1	146.2	165.1	-71.3	-174.9	176.9	-164.1	0	109.6	T462 I465 E468	R460-T462 PolarHBondContact O-N 3.07Å; R460-I465 HydrophobicContact CB-CD1 4.17Å; R460-I465 HydrophobicContact CB-CG1 4.09Å; R460-E468 IonicContact CZ-OE1 3.32Å; R460-E468 IonicContact CZ-OE2 2.67Å; R460-E468 IonicContact NH1-OE1 2.93Å; R460-E468 PolarHBondContact NH1-OE1 3.35Å; R460-E468 IonicContact NH1-OE2 3.94Å; R460-E468 PolarHBondContact NH1-OE2 3.35Å
461	P	56.6	Low	51.7	Low	94 Å²	94	118.8 Å²	118.8	61%	0.61	61%	0.607	S	S	*	*			trans	-59.9	136.7	174	-22.5	33.4	0	0	0	111.7	G463 V464	P461-G463 PolarHBondContact O-N 2.92Å; P461-V464 HydrophobicContact CB-CG2 4.42Å; P461-V464 PolarHBondContact O-N 3.19Å
462	T	52.5	Low	52	Low	121 Å²	121	123.5 Å²	123.5	74%	0.742	62%	0.617	S	S	*	*	H	α-helix	trans	-54.7	-31.7	-173.3	-33.8	0	0	0	0	113.6	R460 V464 A466	R460-T462 PolarHBondContact O-N 3.07Å; T462-V464 VanDerWaalsContact C-N 3.28Å; T462-V464 PolarHBondContact O-N 3.04Å; T462-A466 WeakPolarHBondContact O-CB 3.43Å; T462-A466 PolarHBondContact O-N 2.97Å
463	G	60.9	Low	52.7	Low	50 Å²	50	117.6 Å²	117.6	52%	0.515	61%	0.608	S	S	.	*	H	α-helix	trans	-71.6	-13	177.5	0	0	0	0	0	115.7	P461	P461-G463 PolarHBondContact O-N 2.92Å
464	V	60.7	Low	53.2	Low	66 Å²	66	110.1 Å²	110.1	40%	0.4	59%	0.592	S	S	.	*	H	α-helix	trans	-85.8	-51.2	172.3	-176.7	0	0	0	0	109.4	P461 T462 A466 R467 E468	P461-V464 HydrophobicContact CB-CG2 4.42Å; P461-V464 PolarHBondContact O-N 3.19Å; T462-V464 VanDerWaalsContact C-N 3.28Å; T462-V464 PolarHBondContact O-N 3.04Å; V464-A466 PolarHBondContact O-N 3.47Å; V464-R467 PolarHBondContact O-N 2.86Å; V464-E468 HydrophobicContact CG1-CG 4.49Å; V464-E468 PolarHBondContact O-N 2.99Å
465	I	58.2	Low	53.5	Low	69 Å²	69	111.8 Å²	111.8	35%	0.354	59%	0.589	S	S	.	*	H	α-helix	trans	-55.5	-42.3	176.7	-58.3	174.1	0	0	0	110.6	R460 R467 E468 Q469	R460-I465 HydrophobicContact CB-CD1 4.17Å; R460-I465 HydrophobicContact CB-CG1 4.09Å; I465-R467 VanDerWaalsContact C-N 3.28Å; I465-R467 PolarHBondContact O-N 2.84Å; I465-E468 PolarHBondContact O-N 2.98Å; I465-Q469 HydrophobicContact CG2-CG 4.36Å; I465-Q469 WeakPolarHBondContact O-CB 3.2Å; I465-Q469 VanDerWaalsContact O-CG 3.32Å; I465-Q469 WeakPolarHBondContact O-CG 3.45Å; I465-Q469 PolarHBondContact O-N 2.97Å
466	A	66.6	Low	54.3	Low	52 Å²	52	107.7 Å²	107.7	43%	0.43	58%	0.581	S	S	.	*	H	α-helix	trans	-64.2	-27.2	177.3	0	0	0	0	0	114	T462 V464 T470	T462-A466 WeakPolarHBondContact O-CB 3.43Å; T462-A466 PolarHBondContact O-N 2.97Å; V464-A466 PolarHBondContact O-N 3.47Å; A466-T470 WeakPolarHBondContact O-CG2 3.26Å; A466-T470 PolarHBondContact O-N 2.94Å; A466-T470 PolarHBondContact O-OG1 3.21Å
467	R	66.1	Low	55.3	Low	176 Å²	176	102.5 Å²	102.5	66%	0.664	56%	0.562	S	S	*	*	H	α-helix	trans	-79.6	-50	173.6	-74.7	-175.5	-172.6	169.4	4	111.5	V464 I465 Q469 T470 E471	V464-R467 PolarHBondContact O-N 2.86Å; I465-R467 VanDerWaalsContact C-N 3.28Å; I465-R467 PolarHBondContact O-N 2.84Å; R467-Q469 PolarHBondContact O-N 2.95Å; R467-T470 WeakPolarHBondContact CA-OG1 3.48Å; R467-T470 CarbonylContact O-C 3.6Å; R467-T470 WeakPolarHBondContact O-CA 3.28Å; R467-T470 PolarHBondContact O-N 2.9Å; R467-T470 PolarHBondContact O-OG1 2.86Å; R467-E471 PolarHBondContact O-N 3.24Å
468	E	59.8	Low	55.8	Low	78 Å²	78	103.5 Å²	103.5	36%	0.364	56%	0.561	S	S	.	*	H	α-helix	trans	-54.7	-39.8	177.5	-68.7	177.1	117.2	0	0	110.8	R460 V464 I465 E471 Y472	R460-E468 IonicContact CZ-OE1 3.32Å; R460-E468 IonicContact CZ-OE2 2.67Å; R460-E468 IonicContact NH1-OE1 2.93Å; R460-E468 PolarHBondContact NH1-OE1 3.35Å; R460-E468 IonicContact NH1-OE2 3.94Å; R460-E468 PolarHBondContact NH1-OE2 3.35Å; V464-E468 HydrophobicContact CG1-CG 4.49Å; V464-E468 PolarHBondContact O-N 2.99Å; I465-E468 PolarHBondContact O-N 2.98Å; E468-E471 PolarHBondContact O-N 2.93Å; E468-Y472 WeakPolarHBondContact O-CB 3.44Å; E468-Y472 PolarHBondContact O-N 3.43Å
469	Q	62	Low	56.1	Low	131 Å²	131	103.4 Å²	103.4	61%	0.612	55%	0.551	S	S	*	*	H	α-helix	trans	-66.3	-39	173.7	-75.3	179.8	-16.6	0	0	113.8	I465 R467 A473	I465-Q469 HydrophobicContact CG2-CG 4.36Å; I465-Q469 WeakPolarHBondContact O-CB 3.2Å; I465-Q469 VanDerWaalsContact O-CG 3.32Å; I465-Q469 WeakPolarHBondContact O-CG 3.45Å; I465-Q469 PolarHBondContact O-N 2.97Å; R467-Q469 PolarHBondContact O-N 2.95Å; Q469-A473 VanDerWaalsContact O-CB 3.24Å; Q469-A473 WeakPolarHBondContact O-CB 3.47Å; Q469-A473 PolarHBondContact O-N 3.48Å
470	T	66.4	Low	56.9	Low	93 Å²	93	102.9 Å²	102.9	57%	0.571	55%	0.545	S	S	*	.	H	α-helix	trans	-71.3	-30.2	175.1	50.6	0	0	0	0	113.2	A466 R467 A474	A466-T470 WeakPolarHBondContact O-CG2 3.26Å; A466-T470 PolarHBondContact O-N 2.94Å; A466-T470 PolarHBondContact O-OG1 3.21Å; R467-T470 WeakPolarHBondContact CA-OG1 3.48Å; R467-T470 CarbonylContact O-C 3.6Å; R467-T470 WeakPolarHBondContact O-CA 3.28Å; R467-T470 PolarHBondContact O-N 2.9Å; R467-T470 PolarHBondContact O-OG1 2.86Å; T470-A474 WeakPolarHBondContact O-CB 3.27Å; T470-A474 PolarHBondContact O-N 2.65Å; T470-A474 VanDerWaalsContact O-N 3.14Å
471	E	59.2	Low	57.2	Low	116 Å²	116	102.5 Å²	102.5	54%	0.542	55%	0.549	S	S	.	.	H	α-helix	trans	-75	-47.3	177.7	-72.4	166	164.7	0	0	110.2	R467 E468 A473 A474 E475	R467-E471 PolarHBondContact O-N 3.24Å; E468-E471 PolarHBondContact O-N 2.93Å; E471-A473 VanDerWaalsContact C-N 3.31Å; E471-A473 PolarHBondContact O-N 3.22Å; E471-A474 WeakPolarHBondContact O-CB 3.16Å; E471-A474 PolarHBondContact O-N 3.12Å; E471-E475 PolarHBondContact O-N 3.01Å
472	Y	54.5	Low	56.7	Low	160 Å²	160	102.7 Å²	102.7	63%	0.627	54%	0.543	S	S	*	.	H	α-helix	trans	-57.2	-40	170.8	-103	-92.6	0	0	0	113.2	E468 A474 E475 N476	E468-Y472 WeakPolarHBondContact O-CB 3.44Å; E468-Y472 PolarHBondContact O-N 3.43Å; Y472-A474 VanDerWaalsContact C-N 3.29Å; Y472-A474 PolarHBondContact O-N 3.21Å; Y472-E475 PolarHBondContact O-N 3.41Å; Y472-N476 WeakPolarHBondContact O-CB 3.44Å; Y472-N476 PolarHBondContact O-N 3.45Å
473	A	57	Low	57.2	Low	64 Å²	64	100.1 Å²	100.1	53%	0.529	53%	0.53	S	S	.	.	H	α-helix	trans	-67.6	-29.1	176.7	0	0	0	0	0	112.9	Q469 E471	Q469-A473 VanDerWaalsContact O-CB 3.24Å; Q469-A473 WeakPolarHBondContact O-CB 3.47Å; Q469-A473 PolarHBondContact O-N 3.48Å; E471-A473 VanDerWaalsContact C-N 3.31Å; E471-A473 PolarHBondContact O-N 3.22Å
474	A	57.2	Low	57.3	Low	55 Å²	55	99.6 Å²	99.6	46%	0.455	53%	0.525	S	S	.	.	H	α-helix	trans	-76.1	-44.8	173.7	0	0	0	0	0	111.7	T470 E471 Y472 N477 V478	T470-A474 WeakPolarHBondContact O-CB 3.27Å; T470-A474 PolarHBondContact O-N 2.65Å; T470-A474 VanDerWaalsContact O-N 3.14Å; E471-A474 WeakPolarHBondContact O-CB 3.16Å; E471-A474 PolarHBondContact O-N 3.12Å; Y472-A474 VanDerWaalsContact C-N 3.29Å; Y472-A474 PolarHBondContact O-N 3.21Å; A474-N477 WeakPolarHBondContact O-CB 3.41Å; A474-N477 PolarHBondContact O-N 2.85Å; A474-V478 PolarHBondContact O-N 3.04Å
475	E	51.5	Low	57.1	Low	132 Å²	132	103.1 Å²	103.1	62%	0.617	53%	0.532	S	S	*	.	H	α-helix	trans	-65.4	-42.3	-179.1	-69.6	-166.9	142.4	0	0	112.7	E471 Y472 N477 V478 H479	E471-E475 PolarHBondContact O-N 3.01Å; Y472-E475 PolarHBondContact O-N 3.41Å; E475-N477 VanDerWaalsContact C-N 3.29Å; E475-N477 PolarHBondContact O-N 2.69Å; E475-V478 PolarHBondContact O-N 3.29Å; E475-H479 PolarHBondContact O-N 2.98Å
476	N	52.8	Low	57.1	Low	107 Å²	107	105.5 Å²	105.5	57%	0.572	54%	0.54	S	S	*	.	H	α-helix	trans	-59.6	-39.6	175.1	-88.4	-20.1	0	0	0	112.3	Y472 V478 H479 E480	Y472-N476 WeakPolarHBondContact O-CB 3.44Å; Y472-N476 PolarHBondContact O-N 3.45Å; N476-V478 PolarHBondContact O-N 2.84Å; N476-H479 PolarHBondContact O-N 2.79Å; N476-E480 WeakPolarHBondContact O-CB 3.35Å; N476-E480 PolarHBondContact O-N 2.99Å
477	N	53.6	Low	57.4	Low	84 Å²	84	111.4 Å²	111.4	45%	0.449	55%	0.551	S	S	.	*	H	α-helix	trans	-64.3	-40.6	178.5	-162.7	-36.3	0	0	0	111.5	A474 E475 Q481	A474-N477 WeakPolarHBondContact O-CB 3.41Å; A474-N477 PolarHBondContact O-N 2.85Å; E475-N477 VanDerWaalsContact C-N 3.29Å; E475-N477 PolarHBondContact O-N 2.69Å; N477-Q481 WeakPolarHBondContact O-CG 3.37Å; N477-Q481 PolarHBondContact O-N 2.67Å; N477-Q481 VanDerWaalsContact O-N 3.11Å; N477-Q481 PolarHBondContact OD1-NE2 3.17Å
478	V	47.3	Very low	57.3	Low	92 Å²	92	109.3 Å²	109.3	56%	0.558	55%	0.55	S	S	*	.	H	α-helix	trans	-64.9	-41.3	172.9	175.9	0	0	0	0	111.4	A474 E475 N476 M482	A474-V478 PolarHBondContact O-N 3.04Å; E475-V478 PolarHBondContact O-N 3.29Å; N476-V478 PolarHBondContact O-N 2.84Å; V478-M482 HydrophobicContact CG1-CG 4.46Å; V478-M482 WeakPolarHBondContact O-CB 3.46Å; V478-M482 VanDerWaalsContact O-CG 3.25Å; V478-M482 WeakPolarHBondContact O-CG 3.41Å; V478-M482 PolarHBondContact O-N 3.17Å
479	H	48.5	Very low	57.5	Low	133 Å²	133	113.2 Å²	113.2	62%	0.616	56%	0.562	S	S	*	*	H	α-helix	trans	-65.2	-41.2	179.7	-155.2	103.9	0	0	0	112.3	E475 N476 M482 S483	E475-H479 PolarHBondContact O-N 2.98Å; N476-H479 PolarHBondContact O-N 2.79Å; H479-M482 PolarHBondContact O-N 2.83Å; H479-S483 PolarHBondContact O-N 2.97Å
480	E	56.9	Low	58	Low	149 Å²	149	116.2 Å²	116.2	70%	0.696	57%	0.567	S	S	*	*	H	α-helix	trans	-67.5	-44.7	179.1	-168.7	167.9	-133.6	0	0	112	N476 M482 S483 G484	N476-E480 WeakPolarHBondContact O-CB 3.35Å; N476-E480 PolarHBondContact O-N 2.99Å; E480-M482 VanDerWaalsContact C-N 3.32Å; E480-M482 PolarHBondContact O-N 2.83Å; E480-S483 WeakPolarHBondContact O-CB 3.25Å; E480-S483 PolarHBondContact O-N 2.88Å; E480-S483 VanDerWaalsContact O-N 3.11Å; E480-G484 PolarHBondContact O-N 2.9Å
481	Q	53.5	Low	58.4	Low	130 Å²	130	117.2 Å²	117.2	61%	0.607	57%	0.565	S	S	*	*	H	α-helix	trans	-59.2	-42	172.3	-70.9	-178.9	41.1	0	0	112.1	N477 S483 G484 Y485	N477-Q481 WeakPolarHBondContact O-CG 3.37Å; N477-Q481 PolarHBondContact O-N 2.67Å; N477-Q481 VanDerWaalsContact O-N 3.11Å; N477-Q481 PolarHBondContact OD1-NE2 3.17Å; Q481-S483 VanDerWaalsContact C-N 3.3Å; Q481-S483 PolarHBondContact O-N 2.77Å; Q481-G484 PolarHBondContact O-N 2.7Å; Q481-Y485 PolarHBondContact O-N 3.3Å
482	M	44.8	Very low	58.9	Low	98 Å²	98	116.6 Å²	116.6	48%	0.483	56%	0.562	S	S	.	*	H	α-helix	trans	-67.1	-28.8	176.1	-75.3	-70.2	-80.2	0	0	113	V478 H479 E480 K486	V478-M482 HydrophobicContact CG1-CG 4.46Å; V478-M482 WeakPolarHBondContact O-CB 3.46Å; V478-M482 VanDerWaalsContact O-CG 3.25Å; V478-M482 WeakPolarHBondContact O-CG 3.41Å; V478-M482 PolarHBondContact O-N 3.17Å; H479-M482 PolarHBondContact O-N 2.83Å; E480-M482 VanDerWaalsContact C-N 3.32Å; E480-M482 PolarHBondContact O-N 2.83Å; M482-K486 WeakPolarHBondContact O-CB 3.5Å; M482-K486 WeakPolarHBondContact O-CG 3.18Å; M482-K486 PolarHBondContact O-N 2.99Å
483	S	64.6	Low	59.9	Low	67 Å²	67	114.2 Å²	114.2	47%	0.469	56%	0.557	S	S	.	*	H	α-helix	trans	-67.9	-46.1	171.6	-168.7	0	0	0	0	111.5	H479 E480 Q481 Y485 K486 R487	H479-S483 PolarHBondContact O-N 2.97Å; E480-S483 WeakPolarHBondContact O-CB 3.25Å; E480-S483 PolarHBondContact O-N 2.88Å; E480-S483 VanDerWaalsContact O-N 3.11Å; Q481-S483 VanDerWaalsContact C-N 3.3Å; Q481-S483 PolarHBondContact O-N 2.77Å; S483-Y485 PolarHBondContact O-N 2.9Å; S483-K486 PolarHBondContact O-N 2.67Å; S483-R487 PolarHBondContact O-N 2.8Å
484	G	61.2	Low	61.1	Low	39 Å²	39	117.5 Å²	117.5	40%	0.402	56%	0.559	S	S	.	*	H	α-helix	trans	-58.4	-47.4	174.7	0	0	0	0	0	112.8	E480 Q481 K486 R487 M488	E480-G484 PolarHBondContact O-N 2.9Å; Q481-G484 PolarHBondContact O-N 2.7Å; G484-K486 PolarHBondContact O-N 3.08Å; G484-R487 PolarHBondContact O-N 3.4Å; G484-M488 PolarHBondContact O-N 3.01Å
485	Y	57.3	Low	62.1	Low	140 Å²	140	120.8 Å²	120.8	55%	0.549	57%	0.565	S	S	.	*	H	α-helix	trans	-62.3	-41.7	176.2	-178.3	-102.9	0	0	0	112.6	Q481 S483 R487 R489	Q481-Y485 PolarHBondContact O-N 3.3Å; S483-Y485 PolarHBondContact O-N 2.9Å; Y485-R487 VanDerWaalsContact C-N 3.31Å; Y485-R487 PolarHBondContact O-N 3.29Å; Y485-R489 WeakPolarHBondContact O-CB 3.4Å; Y485-R489 PolarHBondContact O-N 3.24Å
486	K	58	Low	63	Low	120 Å²	120	118.6 Å²	118.6	52%	0.522	56%	0.557	S	S	.	*	H	α-helix	trans	-60.8	-36	173.9	-79	170.2	-178.4	173.5	0	112.5	M482 S483 G484 R490	M482-K486 WeakPolarHBondContact O-CB 3.5Å; M482-K486 WeakPolarHBondContact O-CG 3.18Å; M482-K486 PolarHBondContact O-N 2.99Å; S483-K486 PolarHBondContact O-N 2.67Å; G484-K486 PolarHBondContact O-N 3.08Å; K486-R490 WeakPolarHBondContact O-CG 3.29Å; K486-R490 PolarHBondContact O-N 3.22Å
487	R	72.3	Confident	64.1	Low	176 Å²	176	119.7 Å²	119.7	66%	0.664	55%	0.553	S	S	*	*	H	α-helix	trans	-67.6	-56.4	176.2	-173.4	-177.4	-66	-149.7	1.6	111.2	S483 G484 Y485 R489 R490 E491	S483-R487 PolarHBondContact O-N 2.8Å; G484-R487 PolarHBondContact O-N 3.4Å; Y485-R487 VanDerWaalsContact C-N 3.31Å; Y485-R487 PolarHBondContact O-N 3.29Å; R487-R489 VanDerWaalsContact C-N 3.26Å; R487-R489 PolarHBondContact O-N 3.07Å; R487-R490 WeakPolarHBondContact O-CB 3.4Å; R487-R490 PolarHBondContact O-N 3.2Å; R487-E491 PolarHBondContact O-N 3.38Å; R487-E491 VanDerWaalsContact O-N 3.13Å
488	M	65.3	Low	65.5	Low	131 Å²	131	120.8 Å²	120.8	65%	0.645	56%	0.556	S	S	*	*	H	α-helix	trans	-56.5	-40.4	-178.6	-169.9	-167.5	-60.4	0	0	112	G484 R490 E491 H492	G484-M488 PolarHBondContact O-N 3.01Å; M488-R490 VanDerWaalsContact C-N 3.35Å; M488-R490 PolarHBondContact O-N 2.95Å; M488-E491 PolarHBondContact O-N 3.48Å; M488-H492 PolarHBondContact O-N 3.33Å
489	R	63.3	Low	66.9	Low	161 Å²	161	121.2 Å²	121.2	61%	0.608	56%	0.555	S	S	*	*	H	α-helix	trans	-65.6	-33.6	176.9	-169.8	175.3	-180	-143.9	-4.5	113.2	Y485 R487 Q493	Y485-R489 WeakPolarHBondContact O-CB 3.4Å; Y485-R489 PolarHBondContact O-N 3.24Å; R487-R489 VanDerWaalsContact C-N 3.26Å; R487-R489 PolarHBondContact O-N 3.07Å; R489-Q493 VanDerWaalsContact O-CB 3.29Å; R489-Q493 WeakPolarHBondContact O-CB 3.47Å; R489-Q493 PolarHBondContact O-N 3.41Å; R489-Q493 VanDerWaalsContact O-N 3.13Å
490	R	71.9	Confident	68	Low	193 Å²	193	121 Å²	121	73%	0.728	55%	0.554	S	S	*	*	H	α-helix	trans	-70.5	-36.2	174.8	-77.5	172.2	170.3	177.2	-3.5	112.1	K486 R487 M488 K494	K486-R490 WeakPolarHBondContact O-CG 3.29Å; K486-R490 PolarHBondContact O-N 3.22Å; R487-R490 WeakPolarHBondContact O-CB 3.4Å; R487-R490 PolarHBondContact O-N 3.2Å; M488-R490 VanDerWaalsContact C-N 3.35Å; M488-R490 PolarHBondContact O-N 2.95Å; R490-K494 WeakPolarHBondContact O-CB 3.4Å; R490-K494 PolarHBondContact O-N 3.27Å; R490-K494 VanDerWaalsContact O-N 3.14Å
491	E	75.2	Confident	69.1	Low	114 Å²	114	120.2 Å²	120.2	53%	0.533	55%	0.55	S	S	.	*	H	α-helix	trans	-67.9	-50.2	177.2	-71	172.3	131.2	0	0	111	R487 M488 Q493 K494 E495	R487-E491 PolarHBondContact O-N 3.38Å; R487-E491 VanDerWaalsContact O-N 3.13Å; M488-E491 PolarHBondContact O-N 3.48Å; E491-Q493 VanDerWaalsContact C-N 3.31Å; E491-Q493 PolarHBondContact O-N 3Å; E491-K494 WeakPolarHBondContact O-CA 3.44Å; E491-K494 VanDerWaalsContact O-CB 3.31Å; E491-K494 WeakPolarHBondContact O-CB 3.37Å; E491-K494 PolarHBondContact O-N 3.45Å; E491-E495 PolarHBondContact O-N 3.31Å
492	H	70.7	Confident	70.4	Confident	103 Å²	103	120.7 Å²	120.7	48%	0.477	55%	0.55	S	S	.	*	H	α-helix	trans	-62	-37.1	177.4	-169.1	65.1	0	0	0	112.8	M488 K494 E495 L496	M488-H492 PolarHBondContact O-N 3.33Å; H492-K494 PolarHBondContact O-N 3.13Å; H492-E495 IonicContact ND1-OE2 2.82Å; H492-E495 PolarHBondContact O-N 3.04Å; H492-L496 WeakPolarHBondContact O-CG 3.45Å; H492-L496 PolarHBondContact O-N 2.72Å
493	Q	74.4	Confident	71.7	Confident	110 Å²	110	118.8 Å²	118.8	51%	0.514	55%	0.547	S	S	.	.	H	α-helix	trans	-68.1	-22.1	173.7	-166	-179.6	15.6	0	0	113.2	R489 E491	R489-Q493 VanDerWaalsContact O-CB 3.29Å; R489-Q493 WeakPolarHBondContact O-CB 3.47Å; R489-Q493 PolarHBondContact O-N 3.41Å; R489-Q493 VanDerWaalsContact O-N 3.13Å; E491-Q493 VanDerWaalsContact C-N 3.31Å; E491-Q493 PolarHBondContact O-N 3Å
494	K	82.4	Confident	72.1	Confident	134 Å²	134	121.7 Å²	121.7	58%	0.583	55%	0.551	S	S	*	*	H	α-helix	trans	-80.4	-41.2	173.2	179.7	-173.2	173.1	-169.4	0	111.2	R490 E491 H492 R497 Q498	R490-K494 WeakPolarHBondContact O-CB 3.4Å; R490-K494 PolarHBondContact O-N 3.27Å; R490-K494 VanDerWaalsContact O-N 3.14Å; E491-K494 WeakPolarHBondContact O-CA 3.44Å; E491-K494 VanDerWaalsContact O-CB 3.31Å; E491-K494 WeakPolarHBondContact O-CB 3.37Å; E491-K494 PolarHBondContact O-N 3.45Å; H492-K494 PolarHBondContact O-N 3.13Å; K494-R497 PolarHBondContact O-N 3.33Å; K494-Q498 WeakPolarHBondContact O-CG 3Å; K494-Q498 PolarHBondContact O-N 3.32Å; K494-Q498 VanDerWaalsContact O-N 3.1Å
495	E	78.8	Confident	73.1	Confident	123 Å²	123	123.2 Å²	123.2	58%	0.575	55%	0.552	S	S	*	*	H	α-helix	trans	-61.3	-48.7	175.3	-68.3	-177.4	140.8	0	0	111.7	E491 H492 R497 Q498 L499	E491-E495 PolarHBondContact O-N 3.31Å; H492-E495 IonicContact ND1-OE2 2.82Å; H492-E495 PolarHBondContact O-N 3.04Å; E495-R497 VanDerWaalsContact C-N 3.3Å; E495-R497 PolarHBondContact O-N 3.1Å; E495-Q498 PolarHBondContact O-N 2.66Å; E495-L499 PolarHBondContact O-N 3.46Å
496	L	70.1	Confident	74	Confident	87 Å²	87	122.6 Å²	122.6	46%	0.455	55%	0.554	S	S	.	*	H	α-helix	trans	-53.4	-48.5	175.4	-77.4	167.3	0	0	0	111.4	H492 Q498 L499 E500	H492-L496 WeakPolarHBondContact O-CG 3.45Å; H492-L496 PolarHBondContact O-N 2.72Å; L496-Q498 VanDerWaalsContact C-N 3.33Å; L496-Q498 PolarHBondContact O-N 2.7Å; L496-L499 WeakPolarHBondContact O-CA 3.42Å; L496-L499 WeakPolarHBondContact O-CB 3.43Å; L496-L499 PolarHBondContact O-N 2.8Å; L496-E500 WeakPolarHBondContact O-CG 3.31Å; L496-E500 PolarHBondContact O-N 2.88Å
497	R	76.5	Confident	74.5	Confident	130 Å²	130	122.7 Å²	122.7	49%	0.491	56%	0.558	S	S	.	*	H	α-helix	trans	-64.1	-35.1	-178.5	-155.9	-176.1	-54.1	176.2	2.3	113.3	K494 E495 L499 E500 E501	K494-R497 PolarHBondContact O-N 3.33Å; E495-R497 VanDerWaalsContact C-N 3.3Å; E495-R497 PolarHBondContact O-N 3.1Å; R497-L499 VanDerWaalsContact C-N 3.32Å; R497-E500 WeakPolarHBondContact CA-OE2 3.4Å; R497-E501 VanDerWaalsContact O-CB 3.23Å; R497-E501 WeakPolarHBondContact O-CB 3.44Å; R497-E501 PolarHBondContact O-N 3.27Å
498	Q	83.2	Confident	74.7	Confident	106 Å²	106	118.2 Å²	118.2	50%	0.495	55%	0.547	S	S	.	.	H	α-helix	trans	-70.5	-28.5	173.3	-72.9	-175.2	-23.3	0	0	112.8	K494 E495 L496 K502	K494-Q498 WeakPolarHBondContact O-CG 3Å; K494-Q498 PolarHBondContact O-N 3.32Å; K494-Q498 VanDerWaalsContact O-N 3.1Å; E495-Q498 PolarHBondContact O-N 2.66Å; L496-Q498 VanDerWaalsContact C-N 3.33Å; L496-Q498 PolarHBondContact O-N 2.7Å; Q498-K502 WeakPolarHBondContact O-CB 3.37Å; Q498-K502 WeakPolarHBondContact O-CG 3.28Å; Q498-K502 PolarHBondContact O-N 3Å; Q498-K502 VanDerWaalsContact O-N 3.1Å
499	L	75.5	Confident	75.4	Confident	102 Å²	102	116.4 Å²	116.4	53%	0.534	54%	0.54	S	S	.	.	H	α-helix	trans	-78.6	-39.5	178.2	-144.7	158.7	0	0	0	110.7	E495 L496 R497 S503	E495-L499 PolarHBondContact O-N 3.46Å; L496-L499 WeakPolarHBondContact O-CA 3.42Å; L496-L499 WeakPolarHBondContact O-CB 3.43Å; L496-L499 PolarHBondContact O-N 2.8Å; R497-L499 VanDerWaalsContact C-N 3.32Å; L499-S503 WeakPolarHBondContact O-CB 3.47Å; L499-S503 PolarHBondContact O-N 2.68Å
500	E	72.5	Confident	75.9	Confident	128 Å²	128	114.1 Å²	114.1	60%	0.598	54%	0.539	S	S	*	.	H	α-helix	trans	-58.7	-49.5	167.5	-69.3	169.3	159.5	0	0	111.5	L496 R497 K502 S503 K504	L496-E500 WeakPolarHBondContact O-CG 3.31Å; L496-E500 PolarHBondContact O-N 2.88Å; R497-E500 WeakPolarHBondContact CA-OE2 3.4Å; E500-K502 PolarHBondContact O-N 2.69Å; E500-S503 PolarHBondContact O-N 2.98Å; E500-K504 WeakPolarHBondContact O-CB 3.45Å; E500-K504 PolarHBondContact O-N 2.64Å
501	E	80.8	Confident	76	Confident	133 Å²	133	110.2 Å²	110.2	62%	0.621	53%	0.528	S	S	*	.	H	α-helix	trans	-61.2	-43.4	-180	-173.3	169.6	-136.6	0	0	111.9	R497 K504 T505	R497-E501 VanDerWaalsContact O-CB 3.23Å; R497-E501 WeakPolarHBondContact O-CB 3.44Å; R497-E501 PolarHBondContact O-N 3.27Å; E501-K504 PolarHBondContact O-N 2.86Å; E501-T505 WeakPolarHBondContact O-CG2 3.13Å; E501-T505 PolarHBondContact O-N 3.38Å; E501-T505 PolarHBondContact O-OG1 3.17Å
502	K	80.5	Confident	76.3	Confident	140 Å²	140	109 Å²	109	61%	0.609	53%	0.525	S	S	*	.	H	α-helix	trans	-60	-53.4	172.2	-80.6	179.9	175.9	-175.5	0	112.4	Q498 E500 K504 T505 E506	Q498-K502 WeakPolarHBondContact O-CB 3.37Å; Q498-K502 WeakPolarHBondContact O-CG 3.28Å; Q498-K502 PolarHBondContact O-N 3Å; Q498-K502 VanDerWaalsContact O-N 3.1Å; E500-K502 PolarHBondContact O-N 2.69Å; K502-K504 PolarHBondContact O-N 2.92Å; K502-T505 PolarHBondContact O-N 3.4Å; K502-T505 PolarHBondContact O-OG1 2.86Å; K502-E506 PolarHBondContact O-N 3.46Å
503	S	70.7	Confident	76.8	Confident	58 Å²	58	110.2 Å²	110.2	41%	0.406	53%	0.528	S	S	.	.	H	α-helix	trans	-58.2	-38.7	-178.8	-177.2	0	0	0	0	111.7	L499 E500 E506 M507	L499-S503 WeakPolarHBondContact O-CB 3.47Å; L499-S503 PolarHBondContact O-N 2.68Å; E500-S503 PolarHBondContact O-N 2.98Å; S503-E506 PolarHBondContact O-N 3.43Å; S503-M507 WeakPolarHBondContact O-CB 3.37Å; S503-M507 PolarHBondContact O-N 3.33Å
504	K	74.2	Confident	76.8	Confident	128 Å²	128	108.2 Å²	108.2	56%	0.557	52%	0.521	S	S	*	.	H	α-helix	trans	-61.4	-50.2	171.5	-172.7	-177.2	174.6	-176.2	0	111.8	E500 E501 K502 E506 M507 D508	E500-K504 WeakPolarHBondContact O-CB 3.45Å; E500-K504 PolarHBondContact O-N 2.64Å; E501-K504 PolarHBondContact O-N 2.86Å; K502-K504 PolarHBondContact O-N 2.92Å; K504-E506 VanDerWaalsContact C-N 3.25Å; K504-E506 PolarHBondContact O-N 2.81Å; K504-M507 WeakPolarHBondContact O-CB 3.42Å; K504-M507 PolarHBondContact O-N 2.84Å; K504-M507 VanDerWaalsContact O-N 3.07Å; K504-D508 WeakPolarHBondContact CE-OD2 3.35Å; K504-D508 PolarHBondContact O-N 3.15Å
505	T	81.5	Confident	76.5	Confident	70 Å²	70	104.7 Å²	104.7	43%	0.429	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-30	179.4	57.4	0	0	0	0	113.5	E501 K502 N509	E501-T505 WeakPolarHBondContact O-CG2 3.13Å; E501-T505 PolarHBondContact O-N 3.38Å; E501-T505 PolarHBondContact O-OG1 3.17Å; K502-T505 PolarHBondContact O-N 3.4Å; K502-T505 PolarHBondContact O-OG1 2.86Å; T505-N509 WeakPolarHBondContact O-CB 3.25Å; T505-N509 PolarHBondContact O-N 3.04Å; T505-N509 VanDerWaalsContact O-N 3.12Å; T505-N509 PolarHBondContact O-ND2 3.46Å
506	E	76.3	Confident	76.9	Confident	128 Å²	128	104.4 Å²	104.4	60%	0.598	51%	0.505	S	S	*	.	H	α-helix	trans	-68.5	-42.8	172.1	-71.1	175	174.6	0	0	111.2	K502 S503 K504 N509 L510	K502-E506 PolarHBondContact O-N 3.46Å; S503-E506 PolarHBondContact O-N 3.43Å; K504-E506 VanDerWaalsContact C-N 3.25Å; K504-E506 PolarHBondContact O-N 2.81Å; E506-N509 PolarHBondContact O-N 3.2Å; E506-L510 WeakPolarHBondContact O-CG 3.37Å; E506-L510 PolarHBondContact O-N 2.7Å
507	M	68.3	Low	77.5	Confident	122 Å²	122	104.5 Å²	104.5	60%	0.601	50%	0.503	S	S	*	.	H	α-helix	trans	-63.1	-46.7	175.7	-159.1	-167.9	-47.5	0	0	112.3	S503 K504 N509 L510 K511	S503-M507 WeakPolarHBondContact O-CB 3.37Å; S503-M507 PolarHBondContact O-N 3.33Å; K504-M507 WeakPolarHBondContact O-CB 3.42Å; K504-M507 PolarHBondContact O-N 2.84Å; K504-M507 VanDerWaalsContact O-N 3.07Å; M507-N509 VanDerWaalsContact C-N 3.31Å; M507-N509 PolarHBondContact O-N 2.87Å; M507-L510 PolarHBondContact O-N 3.01Å; M507-L510 VanDerWaalsContact O-N 3.11Å; M507-K511 PolarHBondContact O-N 3.32Å
508	D	75.7	Confident	77.6	Confident	82 Å²	82	103.2 Å²	103.2	44%	0.439	50%	0.499	S	S	.	.	H	α-helix	trans	-61.5	-39.1	177.6	-68.1	-25.3	0	0	0	111.2	K504 K511 L512	K504-D508 WeakPolarHBondContact CE-OD2 3.35Å; K504-D508 PolarHBondContact O-N 3.15Å; D508-K511 PolarHBondContact O-N 3.29Å; D508-L512 WeakPolarHBondContact O-CB 3.28Å; D508-L512 PolarHBondContact O-N 2.88Å
509	N	80.9	Confident	77.6	Confident	93 Å²	93	102.9 Å²	102.9	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-70.5	-28.7	174.6	-86.9	-77	0	0	0	113.6	T505 E506 M507 K513	T505-N509 WeakPolarHBondContact O-CB 3.25Å; T505-N509 PolarHBondContact O-N 3.04Å; T505-N509 VanDerWaalsContact O-N 3.12Å; T505-N509 PolarHBondContact O-ND2 3.46Å; E506-N509 PolarHBondContact O-N 3.2Å; M507-N509 VanDerWaalsContact C-N 3.31Å; M507-N509 PolarHBondContact O-N 2.87Å; N509-K513 WeakPolarHBondContact O-CG 3.33Å; N509-K513 PolarHBondContact O-N 2.77Å
510	L	73.4	Confident	78.1	Confident	112 Å²	112	103.6 Å²	103.6	59%	0.586	51%	0.505	S	S	*	.	H	α-helix	trans	-73.6	-41.1	172.9	-74	168	0	0	0	111.1	E506 M507 K513 L514	E506-L510 WeakPolarHBondContact O-CG 3.37Å; E506-L510 PolarHBondContact O-N 2.7Å; M507-L510 PolarHBondContact O-N 3.01Å; M507-L510 VanDerWaalsContact O-N 3.11Å; L510-K513 PolarHBondContact O-N 2.86Å; L510-L514 PolarHBondContact O-N 2.8Å
511	K	75	Confident	78.5	Confident	111 Å²	111	98.7 Å²	98.7	48%	0.483	48%	0.483	S	S	.	.	H	α-helix	trans	-59.7	-49.4	172.9	-174.2	166.3	-179.3	170.8	0	111.1	D198 M507 D508 K513 L514 D515	D198-K511 IonicContact OD1-NZ 3.74Å; M507-K511 PolarHBondContact O-N 3.32Å; D508-K511 PolarHBondContact O-N 3.29Å; K511-K513 PolarHBondContact O-N 2.84Å; K511-L514 WeakPolarHBondContact O-CA 3.22Å; K511-L514 WeakPolarHBondContact O-CB 3.41Å; K511-L514 PolarHBondContact O-N 3.4Å; K511-D515 PolarHBondContact O-N 3.45Å
512	L	81.8	Confident	78.4	Confident	90 Å²	90	95.1 Å²	95.1	47%	0.471	47%	0.468	S	S	.	.	H	α-helix	trans	-61.1	-20	178.1	-166.7	70.8	0	0	0	114.4	D508 K516	D508-L512 WeakPolarHBondContact O-CB 3.28Å; D508-L512 PolarHBondContact O-N 2.88Å; L512-K516 VanDerWaalsContact O-CD 3.32Å; L512-K516 WeakPolarHBondContact O-CD 3.4Å; L512-K516 WeakPolarHBondContact O-CG 3.42Å
513	K	80.9	Confident	78.7	Confident	128 Å²	128	90.4 Å²	90.4	56%	0.557	46%	0.455	S	S	*	.	H	α-helix	trans	-83.6	-43.6	170.9	-74	173.6	-177.8	178	0	111.8	N509 L510 K511 K516 E517	N509-K513 WeakPolarHBondContact O-CG 3.33Å; N509-K513 PolarHBondContact O-N 2.77Å; L510-K513 PolarHBondContact O-N 2.86Å; K511-K513 PolarHBondContact O-N 2.84Å; K513-K516 PolarHBondContact O-N 3.49Å; K513-E517 PolarHBondContact O-N 3.36Å
514	L	72.9	Confident	79.5	Confident	67 Å²	67	92.4 Å²	92.4	35%	0.351	46%	0.458	S	S	.	.	H	α-helix	trans	-56.3	-49.1	174.3	172.4	65.5	0	0	0	111.4	L510 K511 K516 E517 Y518 H672	L510-L514 PolarHBondContact O-N 2.8Å; K511-L514 WeakPolarHBondContact O-CA 3.22Å; K511-L514 WeakPolarHBondContact O-CB 3.41Å; K511-L514 PolarHBondContact O-N 3.4Å; L514-K516 PolarHBondContact O-N 3.03Å; L514-E517 PolarHBondContact O-N 3.01Å; L514-E517 VanDerWaalsContact O-N 3.08Å; L514-Y518 WeakPolarHBondContact O-CB 3.4Å; L514-Y518 PolarHBondContact O-N 3.34Å; L514-H672 WeakPolarHBondContact CD1-NE2 3.43Å
515	D	77.6	Confident	79.9	Confident	61 Å²	61	87.1 Å²	87.1	33%	0.326	44%	0.435	S	S	.	.	H	α-helix	trans	-56.7	-40.7	179.9	-54.7	-25.5	0	0	0	110.6	K511 Y518 D519	K511-D515 PolarHBondContact O-N 3.45Å; D515-Y518 PolarHBondContact O-N 2.91Å; D515-D519 WeakPolarHBondContact O-CB 3.24Å; D515-D519 PolarHBondContact O-N 2.97Å
516	K	86.8	Confident	80	Confident	116 Å²	116	89.3 Å²	89.3	50%	0.504	44%	0.44	S	S	.	.	H	α-helix	trans	-72.4	-35.9	176.3	-69.7	173.1	-174.1	172.1	0	113.8	L512 K513 L514 Y518 N520	L512-K516 VanDerWaalsContact O-CD 3.32Å; L512-K516 WeakPolarHBondContact O-CD 3.4Å; L512-K516 WeakPolarHBondContact O-CG 3.42Å; K513-K516 PolarHBondContact O-N 3.49Å; L514-K516 PolarHBondContact O-N 3.03Å; K516-Y518 VanDerWaalsContact C-N 3.27Å; K516-N520 WeakPolarHBondContact O-CB 3.47Å; K516-N520 PolarHBondContact O-N 3.13Å; K516-N520 PolarHBondContact O-ND2 2.84Å
517	E	82.4	Confident	80.6	Confident	89 Å²	89	89.5 Å²	89.5	42%	0.416	44%	0.439	S	S	.	.	H	α-helix	trans	-64.2	-37.7	173.2	-75.4	176.2	-168.1	0	0	110.2	K513 L514 L521 H672	K513-E517 PolarHBondContact O-N 3.36Å; L514-E517 PolarHBondContact O-N 3.01Å; L514-E517 VanDerWaalsContact O-N 3.08Å; E517-L521 PolarHBondContact O-N 3.07Å; E517-H672 IonicContact OE2-CE1 3.89Å; E517-H672 PolarHBondContact OE2-CE1 2.8Å; E517-H672 IonicContact OE2-NE2 3.24Å
518	Y	78.8	Confident	81.4	Confident	104 Å²	104	86.5 Å²	86.5	41%	0.408	42%	0.423	S	S	.	.	H	α-helix	trans	-69.5	-49.9	176.1	-175	-106.1	0	0	0	113.4	L514 D515 K516 N520 L521 L522 F665	L514-Y518 WeakPolarHBondContact O-CB 3.4Å; L514-Y518 PolarHBondContact O-N 3.34Å; D515-Y518 PolarHBondContact O-N 2.91Å; K516-Y518 VanDerWaalsContact C-N 3.27Å; Y518-N520 VanDerWaalsContact C-N 3.32Å; Y518-N520 PolarHBondContact O-N 3.3Å; Y518-L521 WeakPolarHBondContact O-CB 3.37Å; Y518-L521 PolarHBondContact O-N 3.46Å; Y518-L521 VanDerWaalsContact O-N 3.11Å; Y518-L522 HydrophobicContact CD1-CD1 3.88Å; Y518-L522 HydrophobicContact CE1-CD1 3.34Å; Y518-L522 HydrophobicContact CE1-CG 4.18Å; Y518-L522 PolarHBondContact O-N 3.34Å; Y518-F665 HydrophobicContact CD2-CD1 4.11Å; Y518-F665 AromaticContact CD2-CE1 3.73Å; Y518-F665 HydrophobicContact CD2-CE1 3.73Å; Y518-F665 AromaticContact CE2-CD1 3.76Å; Y518-F665 HydrophobicContact CE2-CD1 3.76Å; Y518-F665 AromaticContact CE2-CE1 3.38Å; Y518-F665 HydrophobicContact CE2-CE1 3.38Å; Y518-F665 HydrophobicContact CE2-CZ 4.23Å
519	D	82.3	Confident	81.7	Confident	99 Å²	99	84.6 Å²	84.6	53%	0.529	41%	0.413	S	S	.	.	H	α-helix	trans	-57.5	-43.2	177.6	-80.2	-20.1	0	0	0	112.2	D515 L521 L522 A523	D515-D519 WeakPolarHBondContact O-CB 3.24Å; D515-D519 PolarHBondContact O-N 2.97Å; D519-L521 VanDerWaalsContact C-N 3.3Å; D519-L521 PolarHBondContact O-N 3.4Å; D519-L522 PolarHBondContact O-N 3.31Å; D519-A523 VanDerWaalsContact O-CB 3.27Å; D519-A523 WeakPolarHBondContact O-CB 3.42Å; D519-A523 PolarHBondContact O-N 2.84Å
520	N	86.7	Confident	81.9	Confident	116 Å²	116	85 Å²	85	62%	0.62	42%	0.415	S	S	*	.	H	α-helix	trans	-63.1	-37.8	177.7	-80.6	-58.2	0	0	0	111.9	K516 Y518 A523 Q524	K516-N520 WeakPolarHBondContact O-CB 3.47Å; K516-N520 PolarHBondContact O-N 3.13Å; K516-N520 PolarHBondContact O-ND2 2.84Å; Y518-N520 VanDerWaalsContact C-N 3.32Å; Y518-N520 PolarHBondContact O-N 3.3Å; N520-A523 PolarHBondContact O-N 3.35Å; N520-Q524 PolarHBondContact O-N 2.86Å
521	L	81.8	Confident	82.7	Confident	26 Å²	26	86.2 Å²	86.2	14%	0.136	42%	0.416	C	S	.	.	H	α-helix	trans	-70.2	-44	178.6	-168.6	61.3	0	0	0	111.6	E517 Y518 D519 A523 Q524 F525 F665 L668	E517-L521 PolarHBondContact O-N 3.07Å; Y518-L521 WeakPolarHBondContact O-CB 3.37Å; Y518-L521 PolarHBondContact O-N 3.46Å; Y518-L521 VanDerWaalsContact O-N 3.11Å; D519-L521 VanDerWaalsContact C-N 3.3Å; D519-L521 PolarHBondContact O-N 3.4Å; L521-A523 VanDerWaalsContact C-N 3.32Å; L521-A523 PolarHBondContact O-N 3.4Å; L521-Q524 PolarHBondContact O-N 3.41Å; L521-F525 HydrophobicContact CD1-CE1 3.76Å; L521-F525 HydrophobicContact CD1-CE2 3.93Å; L521-F525 HydrophobicContact CD1-CZ 3.41Å; L521-F525 VanDerWaalsContact CD1-CZ 3.41Å; L521-F525 HydrophobicContact CD2-CE2 4.06Å; L521-F525 HydrophobicContact CD2-CZ 4.16Å; L521-F525 HydrophobicContact CG-CD2 4.24Å; L521-F525 HydrophobicContact CG-CE1 4.33Å; L521-F525 HydrophobicContact CG-CE2 3.6Å; L521-F525 HydrophobicContact CG-CZ 3.65Å; L521-F525 WeakPolarHBondContact O-CG 3.41Å; L521-F525 PolarHBondContact O-N 3.07Å; L521-F665 HydrophobicContact CB-CE1 4.45Å; L521-F665 HydrophobicContact CD2-CD1 3.78Å; L521-F665 HydrophobicContact CD2-CE1 3.7Å; L521-F665 HydrophobicContact CD2-CZ 4.39Å; L521-F665 HydrophobicContact CG-CE1 4.11Å; L521-F665 HydrophobicContact CG-CZ 4.44Å; L521-L668 HydrophobicContact CD2-CD2 3.99Å
522	L	78.7	Confident	83.2	Confident	58 Å²	58	82.1 Å²	82.1	30%	0.304	40%	0.399	S	S	.	.	H	α-helix	trans	-58.9	-42	171.8	-81.1	174.6	0	0	0	112.5	Y518 D519 Q524 F525 H526 F665	Y518-L522 HydrophobicContact CD1-CD1 3.88Å; Y518-L522 HydrophobicContact CE1-CD1 3.34Å; Y518-L522 HydrophobicContact CE1-CG 4.18Å; Y518-L522 PolarHBondContact O-N 3.34Å; D519-L522 PolarHBondContact O-N 3.31Å; L522-Q524 VanDerWaalsContact C-N 3.32Å; L522-F525 PolarHBondContact O-N 3.31Å; L522-H526 PolarHBondContact O-N 2.95Å; L522-H526 PolarHBondContact O-ND1 3.08Å; L522-F665 HydrophobicContact CD2-CZ 3.79Å; L522-F665 HydrophobicContact CG-CZ 4.13Å
523	A	85.7	Confident	83.3	Confident	40 Å²	40	82.9 Å²	82.9	33%	0.331	40%	0.4	S	S	.	.	H	α-helix	trans	-70.9	-25.1	178.1	0	0	0	0	0	113.1	D519 N520 L521 K527	D519-A523 VanDerWaalsContact O-CB 3.27Å; D519-A523 WeakPolarHBondContact O-CB 3.42Å; D519-A523 PolarHBondContact O-N 2.84Å; N520-A523 PolarHBondContact O-N 3.35Å; L521-A523 VanDerWaalsContact C-N 3.32Å; L521-A523 PolarHBondContact O-N 3.4Å; A523-K527 WeakPolarHBondContact O-CD 3.33Å; A523-K527 WeakPolarHBondContact O-CE 3.41Å; A523-K527 VanDerWaalsContact O-CG 3.25Å; A523-K527 WeakPolarHBondContact O-CG 3.49Å
524	Q	87.6	Confident	83.6	Confident	100 Å²	100	82.8 Å²	82.8	47%	0.467	40%	0.401	S	S	.	.	H	α-helix	trans	-73.1	-48.4	169.1	177.8	171.8	-19	0	0	110.8	N520 L521 L522 H526 K527 E528	N520-Q524 PolarHBondContact O-N 2.86Å; L521-Q524 PolarHBondContact O-N 3.41Å; L522-Q524 VanDerWaalsContact C-N 3.32Å; Q524-H526 PolarHBondContact O-N 3.26Å; Q524-K527 WeakPolarHBondContact O-CB 3.26Å; Q524-K527 PolarHBondContact O-N 3.42Å; Q524-E528 VanDerWaalsContact CG-OE1 3.32Å; Q524-E528 WeakPolarHBondContact CG-OE1 3.19Å; Q524-E528 PolarHBondContact NE2-OE1 2.08Å; Q524-E528 PolarHBondContact O-N 2.98Å
525	F	83.3	Confident	84.3	Confident	17 Å²	17	83.1 Å²	83.1	8%	0.075	41%	0.406	C	S	.	.	H	α-helix	trans	-64.2	-35.3	-177.2	-67.3	-16.7	0	0	0	113.7	L521 L522 E528 L529 Q661 F665	L521-F525 HydrophobicContact CD1-CE1 3.76Å; L521-F525 HydrophobicContact CD1-CE2 3.93Å; L521-F525 HydrophobicContact CD1-CZ 3.41Å; L521-F525 VanDerWaalsContact CD1-CZ 3.41Å; L521-F525 HydrophobicContact CD2-CE2 4.06Å; L521-F525 HydrophobicContact CD2-CZ 4.16Å; L521-F525 HydrophobicContact CG-CD2 4.24Å; L521-F525 HydrophobicContact CG-CE1 4.33Å; L521-F525 HydrophobicContact CG-CE2 3.6Å; L521-F525 HydrophobicContact CG-CZ 3.65Å; L521-F525 WeakPolarHBondContact O-CG 3.41Å; L521-F525 PolarHBondContact O-N 3.07Å; L522-F525 PolarHBondContact O-N 3.31Å; F525-E528 PolarHBondContact O-N 3.47Å; F525-L529 PolarHBondContact O-N 3.15Å; F525-Q661 HydrophobicContact CB-CG 4.28Å; F525-Q661 HydrophobicContact CD1-CG 3.69Å; F525-Q661 HydrophobicContact CD2-CB 3.89Å; F525-Q661 HydrophobicContact CD2-CG 3.78Å; F525-Q661 HydrophobicContact CE1-CB 4.5Å; F525-Q661 HydrophobicContact CE1-CG 3.88Å; F525-Q661 HydrophobicContact CE2-CB 3.79Å; F525-Q661 HydrophobicContact CE2-CG 3.95Å; F525-Q661 HydrophobicContact CG-CB 4.3Å; F525-Q661 HydrophobicContact CG-CG 3.66Å; F525-Q661 HydrophobicContact CZ-CB 4.12Å; F525-Q661 HydrophobicContact CZ-CG 4Å; F525-F665 HydrophobicContact CD2-CD2 4.5Å; F525-F665 AromaticContact CD2-CE2 3.61Å; F525-F665 HydrophobicContact CD2-CE2 3.61Å; F525-F665 AromaticContact CD2-CZ 3.74Å; F525-F665 HydrophobicContact CD2-CZ 3.74Å; F525-F665 AromaticContact CE2-CD2 3.98Å; F525-F665 HydrophobicContact CE2-CD2 3.98Å; F525-F665 HydrophobicContact CE2-CE1 4.38Å; F525-F665 AromaticContact CE2-CE2 3.48Å; F525-F665 HydrophobicContact CE2-CE2 3.48Å; F525-F665 VanDerWaalsContact CE2-CE2 3.48Å; F525-F665 AromaticContact CE2-CZ 3.7Å; F525-F665 HydrophobicContact CE2-CZ 3.7Å
526	H	83.6	Confident	84.7	Confident	116 Å²	116	81.7 Å²	81.7	54%	0.537	40%	0.397	S	S	.	.	H	α-helix	trans	-60.1	-47.7	168.5	-87.8	81.6	0	0	0	112	L522 Q524 E528 L529 D530	L522-H526 PolarHBondContact O-N 2.95Å; L522-H526 PolarHBondContact O-ND1 3.08Å; Q524-H526 PolarHBondContact O-N 3.26Å; H526-E528 PolarHBondContact O-N 3.08Å; H526-L529 PolarHBondContact O-N 3.46Å; H526-D530 WeakPolarHBondContact O-CB 3.27Å; H526-D530 PolarHBondContact O-N 3.47Å
527	K	88.7	Confident	84.6	Confident	132 Å²	132	84.8 Å²	84.8	57%	0.574	41%	0.406	S	S	*	.	H	α-helix	trans	-64.6	-24.3	178.9	-68.8	167	-169.8	162.4	0	113.2	A523 Q524 K531	A523-K527 WeakPolarHBondContact O-CD 3.33Å; A523-K527 WeakPolarHBondContact O-CE 3.41Å; A523-K527 VanDerWaalsContact O-CG 3.25Å; A523-K527 WeakPolarHBondContact O-CG 3.49Å; Q524-K527 WeakPolarHBondContact O-CB 3.26Å; Q524-K527 PolarHBondContact O-N 3.42Å; K527-K531 VanDerWaalsContact O-CD 3.24Å; K527-K531 WeakPolarHBondContact O-CD 3.46Å; K527-K531 WeakPolarHBondContact O-CG 3.43Å; K527-K531 PolarHBondContact O-N 3.12Å
528	E	84.8	Confident	84.9	Confident	59 Å²	59	85.1 Å²	85.1	28%	0.276	41%	0.408	S	S	.	.	H	α-helix	trans	-80.1	-43.2	174	-72.4	172	-174.2	0	0	111.6	Q524 F525 H526 K531 L532	Q524-E528 VanDerWaalsContact CG-OE1 3.32Å; Q524-E528 WeakPolarHBondContact CG-OE1 3.19Å; Q524-E528 PolarHBondContact NE2-OE1 2.08Å; Q524-E528 PolarHBondContact O-N 2.98Å; F525-E528 PolarHBondContact O-N 3.47Å; H526-E528 PolarHBondContact O-N 3.08Å; E528-K531 PolarHBondContact O-N 3.12Å; E528-L532 PolarHBondContact O-N 3.25Å
529	L	81.5	Confident	85.2	Confident	43 Å²	43	83.7 Å²	83.7	23%	0.225	40%	0.404	C	S	.	.	H	α-helix	trans	-62.3	-46	173.5	-88.4	162.7	0	0	0	112.6	F525 H526 K531 L532 H533 L657	F525-L529 PolarHBondContact O-N 3.15Å; H526-L529 PolarHBondContact O-N 3.46Å; L529-K531 VanDerWaalsContact C-N 3.33Å; L529-K531 PolarHBondContact O-N 3.01Å; L529-L532 PolarHBondContact O-N 3.22Å; L529-L532 VanDerWaalsContact O-N 3.12Å; L529-H533 PolarHBondContact O-N 2.72Å; L529-H533 PolarHBondContact O-ND1 2.86Å; L529-L657 HydrophobicContact CD2-CD2 4.22Å; L529-L657 HydrophobicContact CG-CD2 4.2Å
530	D	85.1	Confident	85.2	Confident	101 Å²	101	81.7 Å²	81.7	54%	0.54	39%	0.394	S	S	.	.	H	α-helix	trans	-61.9	-40.6	178.7	-74.4	-28.3	0	0	0	111.9	H526 Q534	H526-D530 WeakPolarHBondContact O-CB 3.27Å; H526-D530 PolarHBondContact O-N 3.47Å; D530-Q534 VanDerWaalsContact O-CB 3.25Å; D530-Q534 WeakPolarHBondContact O-CB 3.42Å; D530-Q534 PolarHBondContact O-N 2.86Å
531	K	89.6	Confident	85.1	Confident	138 Å²	138	80.2 Å²	80.2	60%	0.6	39%	0.386	S	S	*	.	H	α-helix	trans	-62	-43.5	172.9	-76.7	171.4	-172.3	174.4	0	111.5	K527 E528 L529 Q534 T535	K527-K531 VanDerWaalsContact O-CD 3.24Å; K527-K531 WeakPolarHBondContact O-CD 3.46Å; K527-K531 WeakPolarHBondContact O-CG 3.43Å; K527-K531 PolarHBondContact O-N 3.12Å; E528-K531 PolarHBondContact O-N 3.12Å; L529-K531 VanDerWaalsContact C-N 3.33Å; L529-K531 PolarHBondContact O-N 3.01Å; K531-Q534 PolarHBondContact O-N 3.11Å; K531-T535 WeakPolarHBondContact O-CG2 3.4Å; K531-T535 PolarHBondContact O-N 3.01Å; K531-T535 PolarHBondContact O-OG1 3.4Å
532	L	85.5	Confident	85.4	Confident	24 Å²	24	84.5 Å²	84.5	13%	0.126	40%	0.403	C	S	.	.	H	α-helix	trans	-66.1	-44.2	179.9	-172.2	65.4	0	0	0	111.8	E528 L529 Q534 T535 H536 V653 L657	E528-L532 PolarHBondContact O-N 3.25Å; L529-L532 PolarHBondContact O-N 3.22Å; L529-L532 VanDerWaalsContact O-N 3.12Å; L532-Q534 VanDerWaalsContact C-N 3.31Å; L532-Q534 PolarHBondContact O-N 3.41Å; L532-T535 PolarHBondContact O-N 3.47Å; L532-T535 PolarHBondContact O-OG1 2.93Å; L532-T535 VanDerWaalsContact O-OG1 3.04Å; L532-H536 WeakPolarHBondContact CD1-NE2 3.46Å; L532-H536 VanDerWaalsContact O-CB 3.31Å; L532-H536 WeakPolarHBondContact O-CB 3.33Å; L532-H536 PolarHBondContact O-CD2 2.72Å; L532-H536 VanDerWaalsContact O-CG 3.22Å; L532-H536 PolarHBondContact O-N 3.48Å; L532-V653 HydrophobicContact CD1-CG1 3.79Å; L532-V653 HydrophobicContact CD2-CG1 4.25Å; L532-L657 HydrophobicContact CD2-CD2 3.9Å
533	H	84.3	Confident	85.5	Confident	106 Å²	106	87 Å²	87	49%	0.491	41%	0.408	S	S	.	.	H	α-helix	trans	-60.8	-40.8	173	-66.2	144.1	0	0	0	111.8	L529 R537	L529-H533 PolarHBondContact O-N 2.72Å; L529-H533 PolarHBondContact O-ND1 2.86Å; H533-R537 WeakPolarHBondContact O-CB 3.35Å; H533-R537 PolarHBondContact O-N 3.49Å
534	Q	88.5	Confident	85.4	Confident	127 Å²	127	88.6 Å²	88.6	59%	0.593	41%	0.414	S	S	*	.	H	α-helix	trans	-69.8	-38.8	-179.8	-168.6	170.2	66.7	0	0	112.4	D530 K531 L532 Q538	D530-Q534 VanDerWaalsContact O-CB 3.25Å; D530-Q534 WeakPolarHBondContact O-CB 3.42Å; D530-Q534 PolarHBondContact O-N 2.86Å; K531-Q534 PolarHBondContact O-N 3.11Å; L532-Q534 VanDerWaalsContact C-N 3.31Å; L532-Q534 PolarHBondContact O-N 3.41Å; Q534-Q538 VanDerWaalsContact O-CG 3.3Å; Q534-Q538 WeakPolarHBondContact O-CG 3.37Å; Q534-Q538 PolarHBondContact O-N 3.3Å; Q534-Q538 VanDerWaalsContact O-N 3.11Å
535	T	87.3	Confident	85.4	Confident	74 Å²	74	90.3 Å²	90.3	45%	0.454	42%	0.42	S	S	.	.	H	α-helix	trans	-69.4	-44.7	173.2	55.1	0	0	0	0	111.6	K531 L532 R537 Q538 E539	K531-T535 WeakPolarHBondContact O-CG2 3.4Å; K531-T535 PolarHBondContact O-N 3.01Å; K531-T535 PolarHBondContact O-OG1 3.4Å; L532-T535 PolarHBondContact O-N 3.47Å; L532-T535 PolarHBondContact O-OG1 2.93Å; L532-T535 VanDerWaalsContact O-OG1 3.04Å; T535-R537 VanDerWaalsContact C-N 3.28Å; T535-R537 PolarHBondContact O-N 3.49Å; T535-Q538 PolarHBondContact O-N 2.93Å; T535-E539 VanDerWaalsContact O-CB 3.24Å; T535-E539 WeakPolarHBondContact O-CB 3.35Å; T535-E539 PolarHBondContact O-N 3.28Å
536	H	85.9	Confident	85.5	Confident	30 Å²	30	93.2 Å²	93.2	14%	0.139	44%	0.439	C	S	.	.	H	α-helix	trans	-56.1	-41.3	175.7	-75.3	-171.7	0	0	0	112.2	L532 E539 L540 Q650	L532-H536 WeakPolarHBondContact CD1-NE2 3.46Å; L532-H536 VanDerWaalsContact O-CB 3.31Å; L532-H536 WeakPolarHBondContact O-CB 3.33Å; L532-H536 PolarHBondContact O-CD2 2.72Å; L532-H536 VanDerWaalsContact O-CG 3.22Å; L532-H536 PolarHBondContact O-N 3.48Å; H536-E539 PolarHBondContact O-N 3.17Å; H536-L540 PolarHBondContact O-N 2.94Å; H536-L540 VanDerWaalsContact O-N 3.09Å; H536-Q650 HydrophobicContact CB-CG 4.49Å; H536-Q650 PolarHBondContact O-NE2 3.49Å
537	R	85.3	Confident	85.3	Confident	181 Å²	181	89.2 Å²	89.2	68%	0.683	42%	0.422	S	S	*	.	H	α-helix	trans	-67.2	-46.3	176.7	-169.5	174.3	-172.7	162	5.4	112.7	H533 T535 E539 L540 D541	H533-R537 WeakPolarHBondContact O-CB 3.35Å; H533-R537 PolarHBondContact O-N 3.49Å; T535-R537 VanDerWaalsContact C-N 3.28Å; T535-R537 PolarHBondContact O-N 3.49Å; R537-E539 PolarHBondContact O-N 3.03Å; R537-L540 PolarHBondContact O-N 3.34Å; R537-D541 PolarHBondContact O-N 2.68Å
538	Q	88.4	Confident	85.1	Confident	97 Å²	97	87.2 Å²	87.2	45%	0.453	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-34	175.6	-72.1	175.5	16.4	0	0	112.5	Q534 T535 K542	Q534-Q538 VanDerWaalsContact O-CG 3.3Å; Q534-Q538 WeakPolarHBondContact O-CG 3.37Å; Q534-Q538 PolarHBondContact O-N 3.3Å; Q534-Q538 VanDerWaalsContact O-N 3.11Å; T535-Q538 PolarHBondContact O-N 2.93Å; Q538-K542 WeakPolarHBondContact O-CB 3.4Å; Q538-K542 WeakPolarHBondContact O-CD 3.37Å; Q538-K542 WeakPolarHBondContact O-CG 3.1Å; Q538-K542 PolarHBondContact O-N 3.49Å; Q538-K542 VanDerWaalsContact O-N 3.13Å
539	E	85.1	Confident	85.2	Confident	73 Å²	73	88.8 Å²	88.8	34%	0.341	42%	0.422	S	S	.	.	H	α-helix	trans	-71.6	-35.7	180	-167.1	69.2	-179.8	0	0	112.1	T535 H536 R537 R543 L646	T535-E539 VanDerWaalsContact O-CB 3.24Å; T535-E539 WeakPolarHBondContact O-CB 3.35Å; T535-E539 PolarHBondContact O-N 3.28Å; H536-E539 PolarHBondContact O-N 3.17Å; R537-E539 PolarHBondContact O-N 3.03Å; E539-R543 VanDerWaalsContact CD-NH1 3.26Å; E539-R543 PolarHBondContact O-N 2.85Å; E539-R543 IonicContact OE1-CZ 3.83Å; E539-R543 IonicContact OE1-NH1 3.74Å; E539-R543 PolarHBondContact OE1-NH1 2.81Å; E539-R543 IonicContact OE1-NH2 2.69Å; E539-L646 HydrophobicContact CG-CD1 4.47Å
540	L	80.6	Confident	85.3	Confident	58 Å²	58	91.4 Å²	91.4	30%	0.304	44%	0.436	S	S	.	.	H	α-helix	trans	-68.1	-53.1	170.1	-79.2	160.4	0	0	0	111.7	H536 R537 K542 R543 V544 L646	H536-L540 PolarHBondContact O-N 2.94Å; H536-L540 VanDerWaalsContact O-N 3.09Å; R537-L540 PolarHBondContact O-N 3.34Å; L540-K542 PolarHBondContact O-N 2.69Å; L540-R543 PolarHBondContact O-N 3.01Å; L540-V544 WeakPolarHBondContact O-CG2 3.46Å; L540-V544 PolarHBondContact O-N 2.89Å; L540-L646 HydrophobicContact CD2-CD2 3.62Å; L540-L646 HydrophobicContact CG-CD2 4.06Å
541	D	85.7	Confident	85.1	Confident	85 Å²	85	89.1 Å²	89.1	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-56.9	-34.1	-179	-76	-10.1	0	0	0	112.6	R537 K545	R537-D541 PolarHBondContact O-N 2.68Å; D541-K545 WeakPolarHBondContact O-CD 3.35Å; D541-K545 WeakPolarHBondContact O-CG 3.34Å; D541-K545 PolarHBondContact O-N 3.23Å
542	K	88	Confident	84.9	Confident	116 Å²	116	89 Å²	89	50%	0.504	42%	0.418	S	S	.	.	H	α-helix	trans	-66.5	-51	172.4	-74.9	167.1	-168.7	168.5	0	111.7	Q538 L540 V544 K545 T546	Q538-K542 WeakPolarHBondContact O-CB 3.4Å; Q538-K542 WeakPolarHBondContact O-CD 3.37Å; Q538-K542 WeakPolarHBondContact O-CG 3.1Å; Q538-K542 PolarHBondContact O-N 3.49Å; Q538-K542 VanDerWaalsContact O-N 3.13Å; L540-K542 PolarHBondContact O-N 2.69Å; K542-V544 PolarHBondContact O-N 3.04Å; K542-K545 PolarHBondContact O-N 2.85Å; K542-T546 PolarHBondContact O-N 2.93Å; K542-T546 PolarHBondContact O-OG1 3.26Å; K542-T546 VanDerWaalsContact O-OG1 3.07Å
543	R	81.6	Confident	85	Confident	109 Å²	109	93.7 Å²	93.7	41%	0.411	44%	0.437	S	S	.	.	H	α-helix	trans	-65.2	-36.6	-176.1	-82.3	-176.3	171.2	90.1	5.9	112.8	E539 L540 T546 N547	E539-R543 VanDerWaalsContact CD-NH1 3.26Å; E539-R543 PolarHBondContact O-N 2.85Å; E539-R543 IonicContact OE1-CZ 3.83Å; E539-R543 IonicContact OE1-NH1 3.74Å; E539-R543 PolarHBondContact OE1-NH1 2.81Å; E539-R543 IonicContact OE1-NH2 2.69Å; L540-R543 PolarHBondContact O-N 3.01Å; R543-T546 PolarHBondContact O-N 3.3Å; R543-N547 WeakPolarHBondContact O-CB 3.45Å; R543-N547 VanDerWaalsContact O-CG 3.26Å; R543-N547 PolarHBondContact O-N 3.08Å; R543-N547 PolarHBondContact O-OD1 3.12Å
544	V	82.7	Confident	85.1	Confident	75 Å²	75	90.2 Å²	90.2	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-57.1	-51.9	172.6	173.8	0	0	0	0	110.6	L540 K542 T546 N547 E548	L540-V544 WeakPolarHBondContact O-CG2 3.46Å; L540-V544 PolarHBondContact O-N 2.89Å; K542-V544 PolarHBondContact O-N 3.04Å; V544-T546 PolarHBondContact O-N 3.04Å; V544-N547 WeakPolarHBondContact O-CB 3.47Å; V544-N547 PolarHBondContact O-N 2.99Å; V544-N547 VanDerWaalsContact O-N 3.15Å; V544-E548 WeakPolarHBondContact O-CG 3.21Å; V544-E548 PolarHBondContact O-N 3.31Å
545	K	87.5	Confident	84.9	Confident	135 Å²	135	88.5 Å²	88.5	59%	0.587	41%	0.41	S	S	*	.	H	α-helix	trans	-61.7	-39.5	179.8	-69.7	171.7	-176.2	174.9	0	113.1	D541 K542 E549	D541-K545 WeakPolarHBondContact O-CD 3.35Å; D541-K545 WeakPolarHBondContact O-CG 3.34Å; D541-K545 PolarHBondContact O-N 3.23Å; K542-K545 PolarHBondContact O-N 2.85Å; K545-E549 PolarHBondContact O-N 3.11Å; K545-E549 VanDerWaalsContact O-N 3.08Å
546	T	85.2	Confident	84.9	Confident	78 Å²	78	91.8 Å²	91.8	48%	0.479	42%	0.418	S	S	.	.	H	α-helix	trans	-64.4	-41.6	175.5	-50.6	0	0	0	0	111.5	K542 R543 V544 E549 L550	K542-T546 PolarHBondContact O-N 2.93Å; K542-T546 PolarHBondContact O-OG1 3.26Å; K542-T546 VanDerWaalsContact O-OG1 3.07Å; R543-T546 PolarHBondContact O-N 3.3Å; V544-T546 PolarHBondContact O-N 3.04Å; T546-E549 PolarHBondContact O-N 3.13Å; T546-L550 HydrophobicContact CG2-CD1 4.19Å; T546-L550 WeakPolarHBondContact O-CG 3.49Å; T546-L550 PolarHBondContact O-N 3.05Å
547	N	79.8	Confident	85.1	Confident	32 Å²	32	93.9 Å²	93.9	17%	0.171	44%	0.436	C	S	.	.	H	α-helix	trans	-63.3	-47.3	177.3	-72.9	-5.5	0	0	0	111.6	R543 V544 E549 L550 E551 Q639	R543-N547 WeakPolarHBondContact O-CB 3.45Å; R543-N547 VanDerWaalsContact O-CG 3.26Å; R543-N547 PolarHBondContact O-N 3.08Å; R543-N547 PolarHBondContact O-OD1 3.12Å; V544-N547 WeakPolarHBondContact O-CB 3.47Å; V544-N547 PolarHBondContact O-N 2.99Å; V544-N547 VanDerWaalsContact O-N 3.15Å; N547-E549 VanDerWaalsContact C-N 3.3Å; N547-E549 PolarHBondContact O-N 2.81Å; N547-L550 PolarHBondContact O-N 3.39Å; N547-E551 PolarHBondContact O-N 3.38Å; N547-Q639 HydrophobicContact CB-CG 4.24Å
548	E	84.2	Confident	85	Confident	90 Å²	90	85.8 Å²	85.8	42%	0.421	41%	0.406	S	S	.	.	H	α-helix	trans	-59.6	-38.1	176.2	-67.8	174.4	-165	0	0	112.9	V544 R552	V544-E548 WeakPolarHBondContact O-CG 3.21Å; V544-E548 PolarHBondContact O-N 3.31Å; E548-R552 VanDerWaalsContact CB-NH2 3.34Å; E548-R552 WeakPolarHBondContact O-CB 3.24Å; E548-R552 WeakPolarHBondContact O-CG 3.43Å; E548-R552 PolarHBondContact O-N 3.43Å; E548-R552 PolarHBondContact O-NE 2.92Å; E548-R552 IonicContact OE2-NH2 3.03Å; E548-R552 PolarHBondContact OE2-NH2 3.22Å
549	E	87.2	Confident	85	Confident	93 Å²	93	85.8 Å²	85.8	44%	0.435	41%	0.409	S	S	.	.	H	α-helix	trans	-66.9	-42.2	175.6	-83.4	-147.8	174.4	0	0	112.6	K545 T546 N547 E551 R552 K553	K545-E549 PolarHBondContact O-N 3.11Å; K545-E549 VanDerWaalsContact O-N 3.08Å; T546-E549 PolarHBondContact O-N 3.13Å; N547-E549 VanDerWaalsContact C-N 3.3Å; N547-E549 PolarHBondContact O-N 2.81Å; E549-E551 VanDerWaalsContact C-N 3.35Å; E549-R552 PolarHBondContact O-N 3.47Å; E549-K553 WeakPolarHBondContact O-CB 3.41Å; E549-K553 WeakPolarHBondContact O-CD 3.25Å; E549-K553 WeakPolarHBondContact O-CG 3.22Å; E549-K553 PolarHBondContact O-N 3.33Å; E549-K553 IonicContact OE2-NZ 3.48Å; E549-K553 PolarHBondContact OE2-NZ 3.04Å
550	L	84.1	Confident	85.2	Confident	98 Å²	98	88 Å²	88	51%	0.513	42%	0.419	S	S	.	.	H	α-helix	trans	-65	-41.6	177.7	-71.5	169.7	0	0	0	110.7	T546 N547 K553 L554	T546-L550 HydrophobicContact CG2-CD1 4.19Å; T546-L550 WeakPolarHBondContact O-CG 3.49Å; T546-L550 PolarHBondContact O-N 3.05Å; N547-L550 PolarHBondContact O-N 3.39Å; L550-K553 PolarHBondContact O-N 3Å; L550-L554 WeakPolarHBondContact O-CB 3.19Å; L550-L554 PolarHBondContact O-N 3.05Å
551	E	79.9	Confident	85.5	Confident	52 Å²	52	90.8 Å²	90.8	24%	0.243	43%	0.431	C	S	.	.	H	α-helix	trans	-64.1	-44.9	175.8	-164.2	-169.6	134.4	0	0	112.1	N547 E549 K553 L554 R555	N547-E551 PolarHBondContact O-N 3.38Å; E549-E551 VanDerWaalsContact C-N 3.35Å; E551-K553 VanDerWaalsContact C-N 3.3Å; E551-K553 PolarHBondContact O-N 2.97Å; E551-L554 PolarHBondContact O-N 3.19Å; E551-R555 HydrophobicContact CG-CG 4.49Å; E551-R555 WeakPolarHBondContact O-CG 3.35Å; E551-R555 PolarHBondContact O-N 2.97Å; E551-R555 IonicContact OE1-CZ 2.84Å; E551-R555 IonicContact OE1-NE 2.63Å; E551-R555 PolarHBondContact OE1-NE 2.95Å; E551-R555 IonicContact OE1-NH2 3.46Å; E551-R555 PolarHBondContact OE1-NH2 2.86Å
552	R	86.4	Confident	85.6	Confident	137 Å²	137	87.8 Å²	87.8	52%	0.517	41%	0.414	S	S	.	.	H	α-helix	trans	-61.9	-35.2	174.8	-81.3	179.1	-87.7	112.7	-6	112.8	E548 E549 K556	E548-R552 VanDerWaalsContact CB-NH2 3.34Å; E548-R552 WeakPolarHBondContact O-CB 3.24Å; E548-R552 WeakPolarHBondContact O-CG 3.43Å; E548-R552 PolarHBondContact O-N 3.43Å; E548-R552 PolarHBondContact O-NE 2.92Å; E548-R552 IonicContact OE2-NH2 3.03Å; E548-R552 PolarHBondContact OE2-NH2 3.22Å; E549-R552 PolarHBondContact O-N 3.47Å; R552-K556 WeakPolarHBondContact O-CB 3.27Å; R552-K556 PolarHBondContact O-N 3.37Å
553	K	88.2	Confident	85.6	Confident	121 Å²	121	87.4 Å²	87.4	53%	0.526	41%	0.414	S	S	.	.	H	α-helix	trans	-69.4	-43.2	174.4	-71.8	161.4	-168	163.8	0	111.2	E549 L550 E551 K556 S557	E549-K553 WeakPolarHBondContact O-CB 3.41Å; E549-K553 WeakPolarHBondContact O-CD 3.25Å; E549-K553 WeakPolarHBondContact O-CG 3.22Å; E549-K553 PolarHBondContact O-N 3.33Å; E549-K553 IonicContact OE2-NZ 3.48Å; E549-K553 PolarHBondContact OE2-NZ 3.04Å; L550-K553 PolarHBondContact O-N 3Å; E551-K553 VanDerWaalsContact C-N 3.3Å; E551-K553 PolarHBondContact O-N 2.97Å; K553-K556 PolarHBondContact O-N 3.17Å; K553-S557 PolarHBondContact O-N 3.34Å
554	L	84.8	Confident	86.1	Confident	34 Å²	34	86.7 Å²	86.7	18%	0.178	42%	0.422	C	S	.	.	H	α-helix	trans	-61.5	-56.9	177.7	-177.8	63.4	0	0	0	111.9	L550 E551 K556 S557 I558 E631	L550-L554 WeakPolarHBondContact O-CB 3.19Å; L550-L554 PolarHBondContact O-N 3.05Å; E551-L554 PolarHBondContact O-N 3.19Å; L554-K556 PolarHBondContact O-N 2.83Å; L554-S557 WeakPolarHBondContact O-CB 3.32Å; L554-S557 PolarHBondContact O-N 3.32Å; L554-I558 HydrophobicContact CD1-CD1 4Å; L554-I558 HydrophobicContact CD1-CG1 4.43Å; L554-I558 HydrophobicContact CG-CD1 3.89Å; L554-I558 WeakPolarHBondContact O-CG1 3.45Å; L554-I558 PolarHBondContact O-N 2.77Å; L554-E631 HydrophobicContact CD1-CG 4.44Å; L554-E631 HydrophobicContact CD2-CG 4.33Å
555	R	84.8	Confident	86.3	Confident	91 Å²	91	86.5 Å²	86.5	34%	0.343	42%	0.416	S	S	.	.	H	α-helix	trans	-51.1	-43.7	176.8	-70.6	178.2	-177	-93.5	1.9	111.8	E551 L559 L628 E632	E551-R555 HydrophobicContact CG-CG 4.49Å; E551-R555 WeakPolarHBondContact O-CG 3.35Å; E551-R555 PolarHBondContact O-N 2.97Å; E551-R555 IonicContact OE1-CZ 2.84Å; E551-R555 IonicContact OE1-NE 2.63Å; E551-R555 PolarHBondContact OE1-NE 2.95Å; E551-R555 IonicContact OE1-NH2 3.46Å; E551-R555 PolarHBondContact OE1-NH2 2.86Å; R555-L559 WeakPolarHBondContact O-CB 3.23Å; R555-L559 VanDerWaalsContact O-CG 3.29Å; R555-L559 WeakPolarHBondContact O-CG 3.46Å; R555-L559 PolarHBondContact O-N 3.26Å; R555-L559 VanDerWaalsContact O-N 3.1Å; R555-L628 HydrophobicContact CG-CD1 4.49Å; R555-E632 IonicContact CZ-OE1 2.7Å; R555-E632 IonicContact CZ-OE2 3.46Å; R555-E632 IonicContact NE-OE1 3.18Å; R555-E632 IonicContact NH1-OE1 3.54Å; R555-E632 PolarHBondContact NH1-OE1 3.32Å; R555-E632 IonicContact NH1-OE2 2.77Å; R555-E632 PolarHBondContact NH1-OE2 3.39Å; R555-E632 IonicContact NH2-OE1 2.72Å; R555-E632 IonicContact NH2-OE2 3.56Å; R555-E632 PolarHBondContact NH2-OE2 3.3Å
556	K	88.5	Confident	86.3	Confident	142 Å²	142	81.2 Å²	81.2	62%	0.617	39%	0.393	S	S	*	.	H	α-helix	trans	-65.8	-41.7	177.9	-174.5	178.7	177.7	-176.8	0	112.6	R552 K553 L554 Q560	R552-K556 WeakPolarHBondContact O-CB 3.27Å; R552-K556 PolarHBondContact O-N 3.37Å; K553-K556 PolarHBondContact O-N 3.17Å; L554-K556 PolarHBondContact O-N 2.83Å; K556-Q560 VanDerWaalsContact O-CB 3.3Å; K556-Q560 WeakPolarHBondContact O-CB 3.32Å; K556-Q560 PolarHBondContact O-N 2.97Å
557	S	88.6	Confident	86.5	Confident	75 Å²	75	83 Å²	83	52%	0.524	39%	0.394	S	S	.	.	H	α-helix	trans	-63.3	-45.6	179.3	-163.1	0	0	0	0	111.5	K553 L554 Q560 Q561	K553-S557 PolarHBondContact O-N 3.34Å; L554-S557 WeakPolarHBondContact O-CB 3.32Å; L554-S557 PolarHBondContact O-N 3.32Å; S557-Q560 PolarHBondContact O-N 2.94Å; S557-Q561 PolarHBondContact O-N 2.68Å; S557-Q561 VanDerWaalsContact O-N 3.07Å
558	I	84.6	Confident	86.9	Confident	11 Å²	11	84.2 Å²	84.2	6%	0.056	41%	0.409	C	S	.	.	H	α-helix	trans	-61	-54	178.5	-63.5	164.3	0	0	0	110.1	L554 Q560 Q561 Q562 Y627 L628 E631	L554-I558 HydrophobicContact CD1-CD1 4Å; L554-I558 HydrophobicContact CD1-CG1 4.43Å; L554-I558 HydrophobicContact CG-CD1 3.89Å; L554-I558 WeakPolarHBondContact O-CG1 3.45Å; L554-I558 PolarHBondContact O-N 2.77Å; I558-Q560 PolarHBondContact O-N 2.75Å; I558-Q561 PolarHBondContact O-N 3.12Å; I558-Q561 VanDerWaalsContact O-N 3.09Å; I558-Q562 HydrophobicContact CG2-CG 4.35Å; I558-Q562 VanDerWaalsContact O-CG 3.26Å; I558-Q562 WeakPolarHBondContact O-CG 3.21Å; I558-Q562 PolarHBondContact O-N 2.8Å; I558-Y627 HydrophobicContact CG2-CD1 4.28Å; I558-L628 HydrophobicContact CB-CD1 4.09Å; I558-L628 HydrophobicContact CD1-CD1 3.67Å; I558-L628 HydrophobicContact CG2-CB 4.2Å; I558-L628 HydrophobicContact CG2-CD1 3.87Å; I558-E631 HydrophobicContact CD1-CB 4.16Å; I558-E631 HydrophobicContact CD1-CG 4.47Å; I558-E631 VanDerWaalsContact CD1-OE2 3.28Å; I558-E631 WeakPolarHBondContact CD1-OE2 3.24Å
559	L	86.7	Confident	87.1	Confident	96 Å²	96	81.3 Å²	81.3	50%	0.503	40%	0.396	S	S	.	.	H	α-helix	trans	-57.2	-36.3	178.4	-72	168.7	0	0	0	113	R555 Q562 E563	R555-L559 WeakPolarHBondContact O-CB 3.23Å; R555-L559 VanDerWaalsContact O-CG 3.29Å; R555-L559 WeakPolarHBondContact O-CG 3.46Å; R555-L559 PolarHBondContact O-N 3.26Å; R555-L559 VanDerWaalsContact O-N 3.1Å; L559-Q562 PolarHBondContact O-N 2.68Å; L559-E563 PolarHBondContact O-N 2.8Å
560	Q	89.5	Confident	87.1	Confident	119 Å²	119	79.7 Å²	79.7	56%	0.556	39%	0.389	S	S	*	.	H	α-helix	trans	-72.3	-32.8	179.1	-172.4	170.2	-9	0	0	112.6	K556 S557 I558 V564	K556-Q560 VanDerWaalsContact O-CB 3.3Å; K556-Q560 WeakPolarHBondContact O-CB 3.32Å; K556-Q560 PolarHBondContact O-N 2.97Å; S557-Q560 PolarHBondContact O-N 2.94Å; I558-Q560 PolarHBondContact O-N 2.75Å; Q560-V564 WeakPolarHBondContact O-CG2 3.35Å
561	Q	88.3	Confident	87.3	Confident	118 Å²	118	82 Å²	82	55%	0.551	40%	0.398	S	S	*	.	H	α-helix	trans	-70	-43.5	171.4	177.6	171	-24.6	0	0	111.4	S557 I558 E563 V564 E565	S557-Q561 PolarHBondContact O-N 2.68Å; S557-Q561 VanDerWaalsContact O-N 3.07Å; I558-Q561 PolarHBondContact O-N 3.12Å; I558-Q561 VanDerWaalsContact O-N 3.09Å; Q561-E563 VanDerWaalsContact C-N 3.29Å; Q561-E563 PolarHBondContact O-N 3.46Å; Q561-V564 WeakPolarHBondContact O-CA 3.42Å; Q561-V564 WeakPolarHBondContact O-CB 3.25Å; Q561-V564 PolarHBondContact O-N 3.1Å; Q561-E565 VanDerWaalsContact CG-OE1 3.27Å; Q561-E565 WeakPolarHBondContact CG-OE1 3.33Å; Q561-E565 PolarHBondContact NE2-OE1 3.38Å; Q561-E565 PolarHBondContact O-N 3.28Å
562	Q	87.1	Confident	87.7	Confident	22 Å²	22	84.5 Å²	84.5	10%	0.103	41%	0.411	C	S	.	.	H	α-helix	trans	-58.1	-39.9	177.2	-68.7	175.3	-10.5	0	0	112.3	I558 L559 V564 E565 M566 H624	I558-Q562 HydrophobicContact CG2-CG 4.35Å; I558-Q562 VanDerWaalsContact O-CG 3.26Å; I558-Q562 WeakPolarHBondContact O-CG 3.21Å; I558-Q562 PolarHBondContact O-N 2.8Å; L559-Q562 PolarHBondContact O-N 2.68Å; Q562-V564 VanDerWaalsContact C-N 3.29Å; Q562-V564 PolarHBondContact O-N 3.46Å; Q562-E565 PolarHBondContact O-N 3.42Å; Q562-M566 WeakPolarHBondContact O-CB 3.44Å; Q562-M566 PolarHBondContact O-N 3.13Å; Q562-H624 HydrophobicContact CB-CB 4.45Å; Q562-H624 WeakPolarHBondContact CB-ND1 3.37Å; Q562-H624 HydrophobicContact CG-CB 3.88Å; Q562-H624 PolarHBondContact NE2-O 3.45Å; Q562-H624 PolarHBondContact O-CE1 3.01Å
563	E	89.2	Confident	87.7	Confident	108 Å²	108	79.1 Å²	79.1	51%	0.505	39%	0.391	S	S	.	.	H	α-helix	trans	-63.4	-32.1	174.8	-155.4	-158.5	171.3	0	0	113	L559 Q561 K567	L559-E563 PolarHBondContact O-N 2.8Å; Q561-E563 VanDerWaalsContact C-N 3.29Å; Q561-E563 PolarHBondContact O-N 3.46Å; E563-K567 WeakPolarHBondContact O-CB 3.35Å; E563-K567 VanDerWaalsContact O-CD 3.3Å; E563-K567 WeakPolarHBondContact O-CD 3.31Å; E563-K567 WeakPolarHBondContact O-CG 3.34Å; E563-K567 PolarHBondContact O-N 2.86Å; E563-K567 VanDerWaalsContact OE1-CE 3.28Å; E563-K567 WeakPolarHBondContact OE1-CE 3.22Å; E563-K567 IonicContact OE1-NZ 3.87Å; E563-K567 PolarHBondContact OE1-NZ 3.14Å; E563-K567 IonicContact OE2-NZ 3.92Å; E563-K567 PolarHBondContact OE2-NZ 3.32Å
564	V	91	Very high	87.5	Confident	94 Å²	94	79.1 Å²	79.1	57%	0.57	39%	0.391	S	S	*	.	H	α-helix	trans	-73.9	-44.3	176.4	172.3	0	0	0	0	110.9	Q560 Q561 Q562 K567 A568	Q560-V564 WeakPolarHBondContact O-CG2 3.35Å; Q561-V564 WeakPolarHBondContact O-CA 3.42Å; Q561-V564 WeakPolarHBondContact O-CB 3.25Å; Q561-V564 PolarHBondContact O-N 3.1Å; Q562-V564 VanDerWaalsContact C-N 3.29Å; Q562-V564 PolarHBondContact O-N 3.46Å; V564-K567 PolarHBondContact O-N 3.28Å; V564-A568 PolarHBondContact O-N 3.27Å
565	E	87.9	Confident	87.7	Confident	71 Å²	71	84.9 Å²	84.9	33%	0.332	42%	0.415	S	S	.	.	H	α-helix	trans	-63.9	-45.2	179.2	-70.5	171.3	-167.1	0	0	111.7	Q561 Q562 K567 A568 L569 M620 H624	Q561-E565 VanDerWaalsContact CG-OE1 3.27Å; Q561-E565 WeakPolarHBondContact CG-OE1 3.33Å; Q561-E565 PolarHBondContact NE2-OE1 3.38Å; Q561-E565 PolarHBondContact O-N 3.28Å; Q562-E565 PolarHBondContact O-N 3.42Å; E565-K567 VanDerWaalsContact C-N 3.33Å; E565-K567 PolarHBondContact O-N 2.99Å; E565-A568 WeakPolarHBondContact O-CB 3.27Å; E565-A568 PolarHBondContact O-N 3.17Å; E565-A568 VanDerWaalsContact O-N 3.13Å; E565-L569 PolarHBondContact O-N 3.34Å; E565-M620 HydrophobicContact CB-SD 4.38Å; E565-H624 IonicContact OE2-CD2 2.68Å; E565-H624 IonicContact OE2-CE1 3.31Å; E565-H624 IonicContact OE2-NE2 3.11Å; E565-H624 PolarHBondContact OE2-NE2 3.48Å
566	M	85.9	Confident	87.6	Confident	24 Å²	24	84 Å²	84	12%	0.118	41%	0.414	C	S	.	.	H	α-helix	trans	-59.2	-40.4	173.7	-80.2	-66.2	-65.4	0	0	112.6	Q562 Q570 E617 M620 L621	Q562-M566 WeakPolarHBondContact O-CB 3.44Å; Q562-M566 PolarHBondContact O-N 3.13Å; M566-Q570 WeakPolarHBondContact O-CB 3.17Å; M566-Q570 WeakPolarHBondContact O-CG 3.5Å; M566-Q570 PolarHBondContact O-N 2.74Å; M566-E617 HydrophobicContact CE-CB 3.98Å; M566-E617 HydrophobicContact CE-CG 3.85Å; M566-M620 HydrophobicContact CG-CG 4.49Å; M566-M620 HydrophobicContact CG-SD 4.12Å; M566-M620 HydrophobicContact SD-CB 4.09Å; M566-M620 HydrophobicContact SD-CG 3.76Å; M566-M620 HydrophobicContact SD-SD 3.62Å; M566-M620 VanDerWaalsContact SD-SD 3.62Å; M566-L621 HydrophobicContact CE-CD1 4.08Å; M566-L621 HydrophobicContact CE-CD2 4.02Å; M566-L621 HydrophobicContact CE-CG 3.82Å; M566-L621 HydrophobicContact CG-CD2 4.2Å; M566-L621 HydrophobicContact SD-CD2 4.05Å; M566-L621 HydrophobicContact SD-CG 3.92Å
567	K	89.6	Confident	87.4	Confident	114 Å²	114	79.7 Å²	79.7	50%	0.496	39%	0.394	S	S	.	.	H	α-helix	trans	-67	-37	175.7	-75.3	168.3	-171.7	166	0	112.1	E563 V564 E565 M571	E563-K567 WeakPolarHBondContact O-CB 3.35Å; E563-K567 VanDerWaalsContact O-CD 3.3Å; E563-K567 WeakPolarHBondContact O-CD 3.31Å; E563-K567 WeakPolarHBondContact O-CG 3.34Å; E563-K567 PolarHBondContact O-N 2.86Å; E563-K567 VanDerWaalsContact OE1-CE 3.28Å; E563-K567 WeakPolarHBondContact OE1-CE 3.22Å; E563-K567 IonicContact OE1-NZ 3.87Å; E563-K567 PolarHBondContact OE1-NZ 3.14Å; E563-K567 IonicContact OE2-NZ 3.92Å; E563-K567 PolarHBondContact OE2-NZ 3.32Å; V564-K567 PolarHBondContact O-N 3.28Å; E565-K567 VanDerWaalsContact C-N 3.33Å; E565-K567 PolarHBondContact O-N 2.99Å; K567-M571 WeakPolarHBondContact O-CB 3.48Å; K567-M571 PolarHBondContact O-N 2.92Å
568	A	89.8	Confident	87.3	Confident	59 Å²	59	83.1 Å²	83.1	49%	0.488	40%	0.4	S	S	.	.	H	α-helix	trans	-65.3	-47.6	175.7	0	0	0	0	0	111.3	V564 E565 Q570 M571 Q572	V564-A568 PolarHBondContact O-N 3.27Å; E565-A568 WeakPolarHBondContact O-CB 3.27Å; E565-A568 PolarHBondContact O-N 3.17Å; E565-A568 VanDerWaalsContact O-N 3.13Å; A568-Q570 PolarHBondContact O-N 3.24Å; A568-M571 WeakPolarHBondContact O-CB 3.3Å; A568-M571 PolarHBondContact O-N 2.93Å; A568-Q572 PolarHBondContact O-N 3.01Å
569	L	87.3	Confident	87.3	Confident	29 Å²	29	87 Å²	87	15%	0.152	42%	0.424	C	S	.	.	H	α-helix	trans	-56.5	-49.1	175.8	-173.1	73.2	0	0	0	111.4	E565 M571 Q572 F573 E617 M620	E565-L569 PolarHBondContact O-N 3.34Å; L569-M571 PolarHBondContact O-N 3.47Å; L569-Q572 WeakPolarHBondContact O-CB 3.37Å; L569-Q572 PolarHBondContact O-N 3.12Å; L569-Q572 VanDerWaalsContact O-N 3.14Å; L569-F573 HydrophobicContact CD1-CD2 4.24Å; L569-F573 HydrophobicContact CD1-CE2 3.72Å; L569-F573 HydrophobicContact CD2-CE2 4.14Å; L569-F573 HydrophobicContact CG-CD2 3.94Å; L569-F573 HydrophobicContact CG-CE2 3.73Å; L569-F573 WeakPolarHBondContact O-CD2 3.43Å; L569-F573 PolarHBondContact O-N 2.81Å; L569-E617 HydrophobicContact CD2-CG 4.23Å; L569-M620 HydrophobicContact CB-CE 4.13Å; L569-M620 HydrophobicContact CB-SD 4.08Å; L569-M620 HydrophobicContact CD1-CE 4.16Å; L569-M620 HydrophobicContact CD2-CB 4.22Å; L569-M620 HydrophobicContact CD2-CE 3.95Å; L569-M620 HydrophobicContact CD2-SD 3.79Å; L569-M620 HydrophobicContact CG-CE 4.29Å; L569-M620 HydrophobicContact CG-SD 4.46Å
570	Q	86.6	Confident	87.1	Confident	58 Å²	58	85.2 Å²	85.2	27%	0.271	42%	0.415	S	S	.	.	H	α-helix	trans	-61.4	-30.6	176	-78.4	-168.6	0.4	0	0	113.5	M566 A568 K574 E617	M566-Q570 WeakPolarHBondContact O-CB 3.17Å; M566-Q570 WeakPolarHBondContact O-CG 3.5Å; M566-Q570 PolarHBondContact O-N 2.74Å; A568-Q570 PolarHBondContact O-N 3.24Å; Q570-K574 WeakPolarHBondContact O-CB 3.4Å; Q570-K574 WeakPolarHBondContact O-CD 3.43Å; Q570-K574 WeakPolarHBondContact O-CE 3.43Å; Q570-K574 WeakPolarHBondContact O-CG 3.5Å; Q570-K574 PolarHBondContact O-N 3.41Å; Q570-E617 VanDerWaalsContact CG-OE1 3.23Å; Q570-E617 WeakPolarHBondContact CG-OE1 3.29Å; Q570-E617 PolarHBondContact NE2-OE1 3.39Å; Q570-E617 PolarHBondContact NE2-OE2 3.17Å
571	M	88.1	Confident	86.7	Confident	146 Å²	146	82.7 Å²	82.7	72%	0.719	40%	0.402	S	S	*	.	H	α-helix	trans	-76.3	-34.2	176.4	-162.1	170.3	-169.4	0	0	111.8	K567 A568 L569 K575	K567-M571 WeakPolarHBondContact O-CB 3.48Å; K567-M571 PolarHBondContact O-N 2.92Å; A568-M571 WeakPolarHBondContact O-CB 3.3Å; A568-M571 PolarHBondContact O-N 2.93Å; L569-M571 PolarHBondContact O-N 3.47Å; M571-K575 PolarHBondContact O-N 3.37Å; M571-K575 VanDerWaalsContact O-N 3.16Å
572	Q	88.5	Confident	86.5	Confident	106 Å²	106	80.8 Å²	80.8	50%	0.495	39%	0.393	S	S	.	.	H	α-helix	trans	-63.9	-53.7	172.1	178.5	173.3	-17.1	0	0	111.6	A568 L569 K574 K575 E576	A568-Q572 PolarHBondContact O-N 3.01Å; L569-Q572 WeakPolarHBondContact O-CB 3.37Å; L569-Q572 PolarHBondContact O-N 3.12Å; L569-Q572 VanDerWaalsContact O-N 3.14Å; Q572-K574 VanDerWaalsContact C-N 3.3Å; Q572-K574 PolarHBondContact O-N 3.19Å; Q572-K575 CarbonylContact O-C 3.6Å; Q572-K575 WeakPolarHBondContact O-CA 3.49Å; Q572-K575 VanDerWaalsContact O-CB 3.32Å; Q572-K575 WeakPolarHBondContact O-CB 3.41Å; Q572-K575 PolarHBondContact O-N 3.39Å; Q572-E576 HydrophobicContact CG-CG 4.4Å; Q572-E576 VanDerWaalsContact CG-OE1 3.26Å; Q572-E576 WeakPolarHBondContact CG-OE1 3.45Å; Q572-E576 PolarHBondContact NE2-OE1 3.41Å; Q572-E576 PolarHBondContact O-N 3.03Å
573	F	86.1	Confident	86.2	Confident	23 Å²	23	85.6 Å²	85.6	10%	0.101	41%	0.41	C	S	.	.	H	α-helix	trans	-58.1	-40.4	178.3	-79.6	-63	0	0	0	112.4	L569 K575 E576 Y577 H609 I612 Q613 A616	L569-F573 HydrophobicContact CD1-CD2 4.24Å; L569-F573 HydrophobicContact CD1-CE2 3.72Å; L569-F573 HydrophobicContact CD2-CE2 4.14Å; L569-F573 HydrophobicContact CG-CD2 3.94Å; L569-F573 HydrophobicContact CG-CE2 3.73Å; L569-F573 WeakPolarHBondContact O-CD2 3.43Å; L569-F573 PolarHBondContact O-N 2.81Å; F573-K575 VanDerWaalsContact C-N 3.27Å; F573-K575 PolarHBondContact O-N 2.66Å; F573-E576 PolarHBondContact O-N 2.89Å; F573-Y577 VanDerWaalsContact O-CB 3.32Å; F573-Y577 WeakPolarHBondContact O-CB 3.38Å; F573-Y577 PolarHBondContact O-N 2.58Å; F573-H609 AromaticContact CD1-NE2 3.39Å; F573-H609 WeakPolarHBondContact CD1-NE2 3.29Å; F573-I612 HydrophobicContact CE1-CG2 4.34Å; F573-Q613 HydrophobicContact CB-CG 4.07Å; F573-Q613 HydrophobicContact CD2-CB 4.43Å; F573-Q613 HydrophobicContact CD2-CG 3.9Å; F573-Q613 HydrophobicContact CG-CB 4.29Å; F573-Q613 HydrophobicContact CG-CG 3.99Å; F573-A616 HydrophobicContact CE2-CB 3.58Å; F573-A616 HydrophobicContact CZ-CB 3.5Å
574	K	85.4	Confident	85.6	Confident	121 Å²	121	82.5 Å²	82.5	53%	0.526	40%	0.397	S	S	.	.	H	α-helix	trans	-60.8	-33.7	173.7	-73	164.3	-164.9	157.7	0	112.9	Q570 Q572 K578	Q570-K574 WeakPolarHBondContact O-CB 3.4Å; Q570-K574 WeakPolarHBondContact O-CD 3.43Å; Q570-K574 WeakPolarHBondContact O-CE 3.43Å; Q570-K574 WeakPolarHBondContact O-CG 3.5Å; Q570-K574 PolarHBondContact O-N 3.41Å; Q572-K574 VanDerWaalsContact C-N 3.3Å; Q572-K574 PolarHBondContact O-N 3.19Å; K574-K578 PolarHBondContact O-N 2.96Å
575	K	87.8	Confident	85	Confident	156 Å²	156	81.4 Å²	81.4	68%	0.678	39%	0.385	S	S	*	.	H	α-helix	trans	-74.2	-47	176	-173.5	-174.9	177.3	-170.9	0	111.2	M571 Q572 F573 K578 V579	M571-K575 PolarHBondContact O-N 3.37Å; M571-K575 VanDerWaalsContact O-N 3.16Å; Q572-K575 CarbonylContact O-C 3.6Å; Q572-K575 WeakPolarHBondContact O-CA 3.49Å; Q572-K575 VanDerWaalsContact O-CB 3.32Å; Q572-K575 WeakPolarHBondContact O-CB 3.41Å; Q572-K575 PolarHBondContact O-N 3.39Å; F573-K575 VanDerWaalsContact C-N 3.27Å; F573-K575 PolarHBondContact O-N 2.66Å; K575-K578 WeakPolarHBondContact O-CB 3.37Å; K575-K578 PolarHBondContact O-N 3Å; K575-V579 PolarHBondContact O-N 2.91Å
576	E	83.5	Confident	84.6	Confident	71 Å²	71	84 Å²	84	33%	0.332	40%	0.396	S	S	.	.	H	α-helix	trans	-64.7	-44.7	178.4	-72.6	177.2	-164.3	0	0	112.5	Q572 F573 K578 V579 N580 H609	Q572-E576 HydrophobicContact CG-CG 4.4Å; Q572-E576 VanDerWaalsContact CG-OE1 3.26Å; Q572-E576 WeakPolarHBondContact CG-OE1 3.45Å; Q572-E576 PolarHBondContact NE2-OE1 3.41Å; Q572-E576 PolarHBondContact O-N 3.03Å; F573-E576 PolarHBondContact O-N 2.89Å; E576-K578 PolarHBondContact O-N 3.33Å; E576-V579 PolarHBondContact O-N 2.69Å; E576-V579 VanDerWaalsContact O-N 3.12Å; E576-N580 WeakPolarHBondContact O-CB 3.46Å; E576-N580 PolarHBondContact O-N 2.98Å; E576-H609 IonicContact OE2-NE2 2.66Å
577	Y	84.7	Confident	84.2	Confident	52 Å²	52	86.4 Å²	86.4	20%	0.204	41%	0.408	C	S	.	.	H	α-helix	trans	-55.5	-42.4	172.8	179.6	-114.4	0	0	0	111.4	F573 K581 K606 H609	F573-Y577 VanDerWaalsContact O-CB 3.32Å; F573-Y577 WeakPolarHBondContact O-CB 3.38Å; F573-Y577 PolarHBondContact O-N 2.58Å; Y577-K581 HydrophobicContact CE1-CD 3.98Å; Y577-K581 WeakPolarHBondContact O-CB 3.46Å; Y577-K581 PolarHBondContact O-N 3.12Å; Y577-K606 HydrophobicContact CE2-CB 4.15Å; Y577-K606 HydrophobicContact CE2-CG 4.14Å; Y577-K606 WeakPolarHBondContact OH-CG 2.92Å; Y577-H609 HydrophobicContact CD2-CB 4.06Å; Y577-H609 AromaticContact CD2-CD2 3.92Å; Y577-H609 AromaticContact CD2-CG 3.81Å
578	K	85.2	Confident	83.2	Confident	148 Å²	148	82.8 Å²	82.8	64%	0.643	39%	0.393	S	S	*	.	H	α-helix	trans	-63.1	-43.1	177.5	-171	-179.8	178.9	-176.3	0	111.6	K574 K575 E576 E582	K574-K578 PolarHBondContact O-N 2.96Å; K575-K578 WeakPolarHBondContact O-CB 3.37Å; K575-K578 PolarHBondContact O-N 3Å; E576-K578 PolarHBondContact O-N 3.33Å; K578-E582 WeakPolarHBondContact O-CG 3.48Å; K578-E582 PolarHBondContact O-N 2.96Å
579	V	85.7	Confident	82.3	Confident	91 Å²	91	87.9 Å²	87.9	55%	0.552	40%	0.404	S	S	*	.	H	α-helix	trans	-66.2	-54.3	177.4	174.1	0	0	0	0	111.1	K575 E576 K581 E582 R583	K575-V579 PolarHBondContact O-N 2.91Å; E576-V579 PolarHBondContact O-N 2.69Å; E576-V579 VanDerWaalsContact O-N 3.12Å; V579-K581 VanDerWaalsContact C-N 3.29Å; V579-K581 PolarHBondContact O-N 3.1Å; V579-E582 PolarHBondContact O-N 3.46Å; V579-E582 VanDerWaalsContact O-N 3.16Å; V579-R583 PolarHBondContact O-N 3.26Å
580	N	81.9	Confident	81.4	Confident	60 Å²	60	93.2 Å²	93.2	32%	0.321	43%	0.432	S	S	.	.	H	α-helix	trans	-62.1	-35.4	-178.8	-77.3	-24.8	0	0	0	112.3	E576 R583 L584	E576-N580 WeakPolarHBondContact O-CB 3.46Å; E576-N580 PolarHBondContact O-N 2.98Å; N580-R583 PolarHBondContact O-N 2.69Å; N580-R583 PolarHBondContact OD1-NH1 2.87Å; N580-R583 VanDerWaalsContact OD1-NH1 3.07Å; N580-L584 WeakPolarHBondContact O-CB 3.32Å; N580-L584 PolarHBondContact O-N 2.92Å
581	K	82.5	Confident	80.4	Confident	65 Å²	65	95.8 Å²	95.8	28%	0.283	45%	0.448	S	S	.	.	H	α-helix	trans	-64.1	-42.7	174.6	-177	-174.3	-177	179.2	0	112.6	Y577 V579 K585 L602	Y577-K581 HydrophobicContact CE1-CD 3.98Å; Y577-K581 WeakPolarHBondContact O-CB 3.46Å; Y577-K581 PolarHBondContact O-N 3.12Å; V579-K581 VanDerWaalsContact C-N 3.29Å; V579-K581 PolarHBondContact O-N 3.1Å; K581-K585 WeakPolarHBondContact O-CB 3.48Å; K581-K585 WeakPolarHBondContact O-CD 3.36Å; K581-K585 VanDerWaalsContact O-CG 3.26Å; K581-K585 WeakPolarHBondContact O-CG 3.47Å; K581-K585 PolarHBondContact O-N 2.88Å; K581-K585 VanDerWaalsContact O-N 3.17Å; K581-L602 HydrophobicContact CG-CD1 4.11Å
582	E	82.7	Confident	79.5	Confident	78 Å²	78	97.2 Å²	97.2	36%	0.364	45%	0.452	S	S	.	.	H	α-helix	trans	-73.6	-30.8	175.7	-60	-46.6	127.6	0	0	112	K578 V579 K585 Q586	K578-E582 WeakPolarHBondContact O-CG 3.48Å; K578-E582 PolarHBondContact O-N 2.96Å; V579-E582 PolarHBondContact O-N 3.46Å; V579-E582 VanDerWaalsContact O-N 3.16Å; E582-K585 WeakPolarHBondContact O-CB 3.31Å; E582-K585 PolarHBondContact O-N 3.4Å; E582-K585 IonicContact OE1-NZ 2.72Å; E582-K585 PolarHBondContact OE1-NZ 3.04Å; E582-K585 WeakPolarHBondContact OE2-CD 3.29Å; E582-K585 IonicContact OE2-NZ 3.04Å; E582-K585 PolarHBondContact OE2-NZ 3.19Å; E582-Q586 WeakPolarHBondContact O-CG 3.29Å; E582-Q586 PolarHBondContact O-N 3.12Å; E582-Q586 VanDerWaalsContact O-N 3.09Å
583	R	81.2	Confident	78.4	Confident	124 Å²	124	93.6 Å²	93.6	47%	0.468	44%	0.439	S	S	.	.	H	α-helix	trans	-64.4	-50.5	172.7	-153.8	-168.9	81.7	-143.2	4.3	111.8	V579 N580 K585 Q586 E587	V579-R583 PolarHBondContact O-N 3.26Å; N580-R583 PolarHBondContact O-N 2.69Å; N580-R583 PolarHBondContact OD1-NH1 2.87Å; N580-R583 VanDerWaalsContact OD1-NH1 3.07Å; R583-K585 VanDerWaalsContact C-N 3.26Å; R583-K585 PolarHBondContact O-N 2.73Å; R583-Q586 WeakPolarHBondContact O-CA 3.37Å; R583-Q586 WeakPolarHBondContact O-CB 3.32Å; R583-Q586 PolarHBondContact O-N 3.39Å; R583-E587 IonicContact CZ-OE1 3.46Å; R583-E587 IonicContact NE-OE1 2.8Å; R583-E587 PolarHBondContact NE-OE1 2.91Å; R583-E587 IonicContact NH2-OE1 3.21Å; R583-E587 PolarHBondContact NH2-OE1 3.22Å; R583-E587 IonicContact NH2-OE2 2.7Å; R583-E587 WeakPolarHBondContact O-CG 3.41Å; R583-E587 PolarHBondContact O-N 3.29Å
584	L	76.5	Confident	77.6	Confident	42 Å²	42	96.8 Å²	96.8	22%	0.22	46%	0.461	C	S	.	.	H	α-helix	trans	-61	-35.4	177.1	-158.1	80.1	0	0	0	111.7	N580 Q586 M588 L602	N580-L584 WeakPolarHBondContact O-CB 3.32Å; N580-L584 PolarHBondContact O-N 2.92Å; L584-Q586 VanDerWaalsContact C-N 3.32Å; L584-Q586 PolarHBondContact O-N 3.08Å; L584-M588 WeakPolarHBondContact O-CB 3.36Å; L584-M588 WeakPolarHBondContact O-CG 3.46Å; L584-M588 PolarHBondContact O-N 3.06Å; L584-L602 HydrophobicContact CD2-CD1 4.09Å
585	K	79.3	Confident	76.9	Confident	72 Å²	72	100 Å²	100	31%	0.313	47%	0.47	S	S	.	.	H	α-helix	trans	-66.5	-26.5	170.8	-80.2	165.2	155	-174	0	114.1	K581 E582 R583 K589	K581-K585 WeakPolarHBondContact O-CB 3.48Å; K581-K585 WeakPolarHBondContact O-CD 3.36Å; K581-K585 VanDerWaalsContact O-CG 3.26Å; K581-K585 WeakPolarHBondContact O-CG 3.47Å; K581-K585 PolarHBondContact O-N 2.88Å; K581-K585 VanDerWaalsContact O-N 3.17Å; E582-K585 WeakPolarHBondContact O-CB 3.31Å; E582-K585 PolarHBondContact O-N 3.4Å; E582-K585 IonicContact OE1-NZ 2.72Å; E582-K585 PolarHBondContact OE1-NZ 3.04Å; E582-K585 WeakPolarHBondContact OE2-CD 3.29Å; E582-K585 IonicContact OE2-NZ 3.04Å; E582-K585 PolarHBondContact OE2-NZ 3.19Å; R583-K585 VanDerWaalsContact C-N 3.26Å; R583-K585 PolarHBondContact O-N 2.73Å; K585-K589 WeakPolarHBondContact O-CB 3.47Å; K585-K589 WeakPolarHBondContact O-CD 3.1Å; K585-K589 WeakPolarHBondContact O-CG 3.41Å
586	Q	79.5	Confident	76.2	Confident	124 Å²	124	99.2 Å²	99.2	58%	0.579	47%	0.474	S	S	*	.	H	α-helix	trans	-82.2	-45	176.5	-74	170.7	-3.1	0	0	110.5	E582 R583 L584 K589 L590	E582-Q586 WeakPolarHBondContact O-CG 3.29Å; E582-Q586 PolarHBondContact O-N 3.12Å; E582-Q586 VanDerWaalsContact O-N 3.09Å; R583-Q586 WeakPolarHBondContact O-CA 3.37Å; R583-Q586 WeakPolarHBondContact O-CB 3.32Å; R583-Q586 PolarHBondContact O-N 3.39Å; L584-Q586 VanDerWaalsContact C-N 3.32Å; L584-Q586 PolarHBondContact O-N 3.08Å; Q586-K589 WeakPolarHBondContact O-CB 3.4Å; Q586-K589 PolarHBondContact O-N 2.95Å; Q586-K589 VanDerWaalsContact O-N 3.14Å; Q586-L590 PolarHBondContact O-N 3.48Å
587	E	75.8	Confident	75.8	Confident	76 Å²	76	99.5 Å²	99.5	36%	0.355	48%	0.48	S	S	.	.	H	α-helix	trans	-54.1	-55.5	172.9	-68.3	161.8	178.6	0	0	110.4	R583 K589 L590 D591	R583-E587 IonicContact CZ-OE1 3.46Å; R583-E587 IonicContact NE-OE1 2.8Å; R583-E587 PolarHBondContact NE-OE1 2.91Å; R583-E587 IonicContact NH2-OE1 3.21Å; R583-E587 PolarHBondContact NH2-OE1 3.22Å; R583-E587 IonicContact NH2-OE2 2.7Å; R583-E587 WeakPolarHBondContact O-CG 3.41Å; R583-E587 PolarHBondContact O-N 3.29Å; E587-K589 PolarHBondContact O-N 3.45Å; E587-K589 VanDerWaalsContact O-N 3.11Å; E587-L590 PolarHBondContact O-N 3.48Å; E587-L590 VanDerWaalsContact O-N 3.1Å; E587-D591 PolarHBondContact O-N 2.9Å
588	M	68.5	Low	75.1	Confident	38 Å²	38	98.7 Å²	98.7	19%	0.187	48%	0.48	C	S	.	.	H	α-helix	trans	-68.9	-10	180	-60.7	-64.8	-71.8	0	0	114.6	L584 V598	L584-M588 WeakPolarHBondContact O-CB 3.36Å; L584-M588 WeakPolarHBondContact O-CG 3.46Å; L584-M588 PolarHBondContact O-N 3.06Å; M588-V598 HydrophobicContact CB-CG1 4.31Å; M588-V598 HydrophobicContact CB-CG2 4.22Å; M588-V598 HydrophobicContact CE-CG2 4.04Å
589	K	71	Confident	74.6	Confident	165 Å²	165	95.7 Å²	95.7	72%	0.717	47%	0.468	S	S	*	.	H	α-helix	trans	-83.9	-32.8	171.4	-89.1	174.4	-179.3	-175.9	0	112.5	K585 Q586 E587	K585-K589 WeakPolarHBondContact O-CB 3.47Å; K585-K589 WeakPolarHBondContact O-CD 3.1Å; K585-K589 WeakPolarHBondContact O-CG 3.41Å; Q586-K589 WeakPolarHBondContact O-CB 3.4Å; Q586-K589 PolarHBondContact O-N 2.95Å; Q586-K589 VanDerWaalsContact O-N 3.14Å; E587-K589 PolarHBondContact O-N 3.45Å; E587-K589 VanDerWaalsContact O-N 3.11Å
590	L	69.5	Low	74.4	Confident	141 Å²	141	93 Å²	93	74%	0.738	46%	0.46	S	S	*	.	H	α-helix	trans	-69.8	-41.1	174.2	-68.4	159.2	0	0	0	109.8	Q586 E587 H592	Q586-L590 PolarHBondContact O-N 3.48Å; E587-L590 PolarHBondContact O-N 3.48Å; E587-L590 VanDerWaalsContact O-N 3.1Å; L590-H592 PolarHBondContact O-N 3.2Å; L590-H592 PolarHBondContact O-ND1 3.48Å
591	D	65.3	Low	74.2	Confident	113 Å²	113	92.7 Å²	92.7	60%	0.604	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	8.6	-172.9	-158.5	49.3	0	0	0	115.3	E587 S593	E587-D591 PolarHBondContact O-N 2.9Å; D591-S593 PolarHBondContact O-N 3.37Å
592	H	69.7	Low	74.1	Confident	176 Å²	176	91.5 Å²	91.5	82%	0.815	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	19.8	175.2	-73.3	67.4	0	0	0	116.1	L590	L590-H592 PolarHBondContact O-N 3.2Å; L590-H592 PolarHBondContact O-ND1 3.48Å
593	S	64.6	Low	74	Confident	30 Å²	30	96.4 Å²	96.4	21%	0.21	47%	0.474	C	S	.	.			trans	-66.4	141.9	-168.2	-100.3	0	0	0	0	113.9	D591 R595	D591-S593 PolarHBondContact O-N 3.37Å; S593-R595 PolarHBondContact O-N 3.29Å
594	P	69.6	Low	74	Confident	89 Å²	89	93.7 Å²	93.7	58%	0.578	47%	0.473	S	S	*	.			trans	-59.4	136.3	-179.4	-24.6	34	0	0	0	113.2	N596 V597 V598	P594-N596 VanDerWaalsContact C-N 3.25Å; P594-N596 PolarHBondContact O-N 2.88Å; P594-V597 HydrophobicContact CB-CG2 4.26Å; P594-V597 WeakPolarHBondContact O-CA 3.32Å; P594-V597 WeakPolarHBondContact O-CB 3.35Å; P594-V597 PolarHBondContact O-N 3.22Å; P594-V598 PolarHBondContact O-N 3.43Å; P594-V598 VanDerWaalsContact O-N 3.08Å
595	R	69.8	Low	74.3	Confident	188 Å²	188	93.6 Å²	93.6	71%	0.709	48%	0.476	S	S	*	.	H	α-helix	trans	-50.3	-39	-173.1	-174.6	175.7	179.1	158.1	0.4	114.7	S593 V597 V598 E599	S593-R595 PolarHBondContact O-N 3.29Å; R595-V597 VanDerWaalsContact C-N 3.33Å; R595-V597 PolarHBondContact O-N 3.42Å; R595-V598 PolarHBondContact O-N 3.43Å; R595-E599 IonicContact CZ-OE1 3.83Å; R595-E599 IonicContact NE-OE1 2.66Å; R595-E599 PolarHBondContact NE-OE1 3.11Å; R595-E599 IonicContact NH2-OE1 3.69Å; R595-E599 PolarHBondContact O-N 3.13Å
596	N	74.6	Confident	74.5	Confident	141 Å²	141	95.1 Å²	95.1	75%	0.754	48%	0.483	S	S	*	.	H	α-helix	trans	-66.8	-34.6	179.4	-62.8	0.8	0	0	0	112.2	P594 G600	P594-N596 VanDerWaalsContact C-N 3.25Å; P594-N596 PolarHBondContact O-N 2.88Å; N596-G600 PolarHBondContact O-N 3.41Å
597	V	74.1	Confident	74.7	Confident	76 Å²	76	96.1 Å²	96.1	46%	0.461	49%	0.488	S	S	.	.	H	α-helix	trans	-70.6	-42.9	174	-177	0	0	0	0	109.8	P594 R595 E599 G600 S601	P594-V597 HydrophobicContact CB-CG2 4.26Å; P594-V597 WeakPolarHBondContact O-CA 3.32Å; P594-V597 WeakPolarHBondContact O-CB 3.35Å; P594-V597 PolarHBondContact O-N 3.22Å; R595-V597 VanDerWaalsContact C-N 3.33Å; R595-V597 PolarHBondContact O-N 3.42Å; V597-E599 PolarHBondContact O-N 2.89Å; V597-G600 PolarHBondContact O-N 2.95Å; V597-S601 PolarHBondContact O-N 3.35Å; V597-S601 PolarHBondContact O-OG 3.39Å
598	V	69.7	Low	75	Confident	35 Å²	35	97 Å²	97	21%	0.212	50%	0.495	C	S	.	.	H	α-helix	trans	-58.6	-47.8	175	-177.4	0	0	0	0	111.2	M588 P594 R595 L602	M588-V598 HydrophobicContact CB-CG1 4.31Å; M588-V598 HydrophobicContact CB-CG2 4.22Å; M588-V598 HydrophobicContact CE-CG2 4.04Å; P594-V598 PolarHBondContact O-N 3.43Å; P594-V598 VanDerWaalsContact O-N 3.08Å; R595-V598 PolarHBondContact O-N 3.43Å; V598-L602 VanDerWaalsContact O-CB 3.29Å; V598-L602 WeakPolarHBondContact O-CB 3.01Å; V598-L602 PolarHBondContact O-N 2.94Å
599	E	76.2	Confident	75.8	Confident	85 Å²	85	96.5 Å²	96.5	40%	0.397	49%	0.492	S	S	.	.	H	α-helix	trans	-68.5	-32.8	177.8	-70.2	-173.1	-152.5	0	0	112.5	R595 V597 R603	R595-E599 IonicContact CZ-OE1 3.83Å; R595-E599 IonicContact NE-OE1 2.66Å; R595-E599 PolarHBondContact NE-OE1 3.11Å; R595-E599 IonicContact NH2-OE1 3.69Å; R595-E599 PolarHBondContact O-N 3.13Å; V597-E599 PolarHBondContact O-N 2.89Å; E599-R603 VanDerWaalsContact O-CG 3.31Å; E599-R603 WeakPolarHBondContact O-CG 3.37Å; E599-R603 PolarHBondContact O-N 2.69Å; E599-R603 VanDerWaalsContact O-N 3.08Å
600	G	80.2	Confident	76.4	Confident	36 Å²	36	92.8 Å²	92.8	37%	0.371	48%	0.479	S	S	.	.	H	α-helix	trans	-63.6	-53.4	172	0	0	0	0	0	112.9	N596 V597 L602 R603 S604	N596-G600 PolarHBondContact O-N 3.41Å; V597-G600 PolarHBondContact O-N 2.95Å; G600-L602 VanDerWaalsContact C-N 3.3Å; G600-L602 PolarHBondContact O-N 3.37Å; G600-R603 WeakPolarHBondContact O-CB 3.46Å; G600-R603 PolarHBondContact O-N 2.93Å; G600-R603 VanDerWaalsContact O-N 3.13Å; G600-S604 PolarHBondContact O-N 2.83Å
601	S	77.6	Confident	77.1	Confident	52 Å²	52	92 Å²	92	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-61.9	-36.1	176.5	-67.2	0	0	0	0	112.3	V597 R603 S604 S605	V597-S601 PolarHBondContact O-N 3.35Å; V597-S601 PolarHBondContact O-OG 3.39Å; S601-R603 VanDerWaalsContact C-N 3.34Å; S601-R603 PolarHBondContact O-N 3.03Å; S601-S604 PolarHBondContact O-N 3.1Å; S601-S605 WeakPolarHBondContact O-CB 3.25Å; S601-S605 PolarHBondContact O-N 2.67Å
602	L	79.9	Confident	78	Confident	40 Å²	40	91 Å²	91	21%	0.209	47%	0.466	C	S	.	.	H	α-helix	trans	-69	-30.4	176	-153.4	75.5	0	0	0	112.7	K581 L584 V598 G600 K606	K581-L602 HydrophobicContact CG-CD1 4.11Å; L584-L602 HydrophobicContact CD2-CD1 4.09Å; V598-L602 VanDerWaalsContact O-CB 3.29Å; V598-L602 WeakPolarHBondContact O-CB 3.01Å; V598-L602 PolarHBondContact O-N 2.94Å; G600-L602 VanDerWaalsContact C-N 3.3Å; G600-L602 PolarHBondContact O-N 3.37Å; L602-K606 WeakPolarHBondContact O-CB 3.34Å; L602-K606 PolarHBondContact O-N 3.29Å; L602-K606 VanDerWaalsContact O-N 3.15Å
603	R	81.9	Confident	78.8	Confident	182 Å²	182	84.2 Å²	84.2	69%	0.687	43%	0.434	S	S	*	.	H	α-helix	trans	-71.1	-47.6	170.6	-73.7	175.7	-169.4	-144	6.2	111.4	E599 G600 S601 K606 Q607	E599-R603 VanDerWaalsContact O-CG 3.31Å; E599-R603 WeakPolarHBondContact O-CG 3.37Å; E599-R603 PolarHBondContact O-N 2.69Å; E599-R603 VanDerWaalsContact O-N 3.08Å; G600-R603 WeakPolarHBondContact O-CB 3.46Å; G600-R603 PolarHBondContact O-N 2.93Å; G600-R603 VanDerWaalsContact O-N 3.13Å; S601-R603 VanDerWaalsContact C-N 3.34Å; S601-R603 PolarHBondContact O-N 3.03Å; R603-K606 WeakPolarHBondContact O-CB 3.15Å; R603-K606 PolarHBondContact O-N 3.48Å; R603-Q607 PolarHBondContact O-N 2.89Å
604	S	81.4	Confident	79.8	Confident	66 Å²	66	84.9 Å²	84.9	46%	0.462	44%	0.442	S	S	.	.	H	α-helix	trans	-59.5	-49.4	177.6	-174.9	0	0	0	0	111.5	G600 S601 K606 Q607 N608	G600-S604 PolarHBondContact O-N 2.83Å; S601-S604 PolarHBondContact O-N 3.1Å; S604-K606 VanDerWaalsContact C-N 3.32Å; S604-K606 PolarHBondContact O-N 2.84Å; S604-Q607 PolarHBondContact O-N 3.33Å; S604-N608 PolarHBondContact O-N 3.14Å
605	S	81.6	Confident	80.5	Confident	40 Å²	40	84.3 Å²	84.3	28%	0.28	43%	0.431	S	S	.	.	H	α-helix	trans	-56.8	-41	173.8	175.9	0	0	0	0	112.7	S601 H609	S601-S605 WeakPolarHBondContact O-CB 3.25Å; S601-S605 PolarHBondContact O-N 2.67Å; S605-H609 WeakPolarHBondContact O-CB 3.35Å; S605-H609 PolarHBondContact O-N 3.36Å
606	K	83.5	Confident	81.3	Confident	105 Å²	105	76.6 Å²	76.6	46%	0.457	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-41.4	173.5	-174.2	-171	176.4	-157	0	112	Y577 L602 R603 S604 H609 L610	Y577-K606 HydrophobicContact CE2-CB 4.15Å; Y577-K606 HydrophobicContact CE2-CG 4.14Å; Y577-K606 WeakPolarHBondContact OH-CG 2.92Å; L602-K606 WeakPolarHBondContact O-CB 3.34Å; L602-K606 PolarHBondContact O-N 3.29Å; L602-K606 VanDerWaalsContact O-N 3.15Å; R603-K606 WeakPolarHBondContact O-CB 3.15Å; R603-K606 PolarHBondContact O-N 3.48Å; S604-K606 VanDerWaalsContact C-N 3.32Å; S604-K606 PolarHBondContact O-N 2.84Å; K606-H609 PolarHBondContact O-N 3.3Å; K606-L610 HydrophobicContact CG-CD1 4.22Å; K606-L610 WeakPolarHBondContact O-CG 3.47Å; K606-L610 PolarHBondContact O-N 2.93Å
607	Q	84.2	Confident	81.8	Confident	145 Å²	145	71.5 Å²	71.5	68%	0.678	38%	0.379	S	S	*	.	H	α-helix	trans	-70.1	-41	-178.3	-171.6	155.5	-13.4	0	0	111.6	R603 S604 L610 H611	R603-Q607 PolarHBondContact O-N 2.89Å; S604-Q607 PolarHBondContact O-N 3.33Å; Q607-L610 PolarHBondContact O-N 3.09Å; Q607-H611 PolarHBondContact O-N 3.24Å
608	N	82.3	Confident	82.2	Confident	94 Å²	94	73 Å²	73	50%	0.503	39%	0.385	S	S	.	.	H	α-helix	trans	-62.3	-42.8	171.8	-69.9	5.8	0	0	0	111.5	S604 L610 H611 I612	S604-N608 PolarHBondContact O-N 3.14Å; N608-L610 PolarHBondContact O-N 2.86Å; N608-H611 WeakPolarHBondContact O-CB 3.4Å; N608-H611 PolarHBondContact O-N 3.44Å; N608-I612 WeakPolarHBondContact O-CG1 3.36Å; N608-I612 PolarHBondContact O-N 2.61Å
609	H	84.1	Confident	82.9	Confident	27 Å²	27	75.6 Å²	75.6	13%	0.125	39%	0.391	C	S	.	.	H	α-helix	trans	-64	-38.7	176.4	-169.1	87.5	0	0	0	112.6	F573 E576 Y577 S605 K606 H611 I612 Q613	F573-H609 AromaticContact CD1-NE2 3.39Å; F573-H609 WeakPolarHBondContact CD1-NE2 3.29Å; E576-H609 IonicContact OE2-NE2 2.66Å; Y577-H609 HydrophobicContact CD2-CB 4.06Å; Y577-H609 AromaticContact CD2-CD2 3.92Å; Y577-H609 AromaticContact CD2-CG 3.81Å; S605-H609 WeakPolarHBondContact O-CB 3.35Å; S605-H609 PolarHBondContact O-N 3.36Å; K606-H609 PolarHBondContact O-N 3.3Å; H609-H611 VanDerWaalsContact C-N 3.33Å; H609-I612 PolarHBondContact O-N 3.49Å; H609-Q613 VanDerWaalsContact O-CB 3.29Å; H609-Q613 WeakPolarHBondContact O-CB 3.19Å; H609-Q613 PolarHBondContact O-N 2.92Å
610	L	85.2	Confident	83.3	Confident	87 Å²	87	73.6 Å²	73.6	46%	0.455	38%	0.382	S	S	.	.	H	α-helix	trans	-65.7	-34.8	173.7	-76.7	170.1	0	0	0	112.4	K606 Q607 N608 A614	K606-L610 HydrophobicContact CG-CD1 4.22Å; K606-L610 WeakPolarHBondContact O-CG 3.47Å; K606-L610 PolarHBondContact O-N 2.93Å; Q607-L610 PolarHBondContact O-N 3.09Å; N608-L610 PolarHBondContact O-N 2.86Å; L610-A614 VanDerWaalsContact O-CB 3.28Å; L610-A614 WeakPolarHBondContact O-CB 3.32Å; L610-A614 PolarHBondContact O-N 2.95Å
611	H	84.2	Confident	83.5	Confident	124 Å²	124	76.2 Å²	76.2	57%	0.574	39%	0.387	S	S	*	.	H	α-helix	trans	-67.2	-47.9	175.3	-172.5	4.4	0	0	0	111.5	Q607 N608 H609 A614 E615	Q607-H611 PolarHBondContact O-N 3.24Å; N608-H611 WeakPolarHBondContact O-CB 3.4Å; N608-H611 PolarHBondContact O-N 3.44Å; H609-H611 VanDerWaalsContact C-N 3.33Å; H611-A614 PolarHBondContact O-N 3.18Å; H611-E615 PolarHBondContact O-N 2.57Å
612	I	84.3	Confident	83.7	Confident	94 Å²	94	74.9 Å²	74.9	48%	0.482	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-43.5	176.6	-66.2	163	0	0	0	110.8	F573 N608 H609 E615 A616	F573-I612 HydrophobicContact CE1-CG2 4.34Å; N608-I612 WeakPolarHBondContact O-CG1 3.36Å; N608-I612 PolarHBondContact O-N 2.61Å; H609-I612 PolarHBondContact O-N 3.49Å; I612-E615 PolarHBondContact O-N 2.9Å; I612-A616 WeakPolarHBondContact O-CB 3.47Å; I612-A616 PolarHBondContact O-N 3.19Å
613	Q	86.5	Confident	83.7	Confident	32 Å²	32	76.8 Å²	76.8	15%	0.15	39%	0.388	C	S	.	.	H	α-helix	trans	-60	-48.3	174.8	-175.9	-166.2	-24.6	0	0	111	F573 H609 E615 A616 E617	F573-Q613 HydrophobicContact CB-CG 4.07Å; F573-Q613 HydrophobicContact CD2-CB 4.43Å; F573-Q613 HydrophobicContact CD2-CG 3.9Å; F573-Q613 HydrophobicContact CG-CB 4.29Å; F573-Q613 HydrophobicContact CG-CG 3.99Å; H609-Q613 VanDerWaalsContact O-CB 3.29Å; H609-Q613 WeakPolarHBondContact O-CB 3.19Å; H609-Q613 PolarHBondContact O-N 2.92Å; Q613-E615 VanDerWaalsContact C-N 3.3Å; Q613-E615 PolarHBondContact O-N 3.4Å; Q613-A616 PolarHBondContact O-N 3.13Å; Q613-E617 WeakPolarHBondContact CG-OE1 3.42Å; Q613-E617 PolarHBondContact NE2-OE1 2.88Å; Q613-E617 WeakPolarHBondContact O-CB 3.49Å; Q613-E617 WeakPolarHBondContact O-CG 3.23Å; Q613-E617 PolarHBondContact O-N 3.3Å
614	A	84.8	Confident	83.9	Confident	45 Å²	45	68.9 Å²	68.9	37%	0.372	36%	0.359	S	S	.	.	H	α-helix	trans	-64.4	-34.8	179.8	0	0	0	0	0	112.3	L610 H611 N618	L610-A614 VanDerWaalsContact O-CB 3.28Å; L610-A614 WeakPolarHBondContact O-CB 3.32Å; L610-A614 PolarHBondContact O-N 2.95Å; H611-A614 PolarHBondContact O-N 3.18Å; A614-N618 WeakPolarHBondContact O-CB 3.44Å; A614-N618 PolarHBondContact O-N 3.37Å; A614-N618 PolarHBondContact O-ND2 3.43Å
615	E	84.7	Confident	83.9	Confident	76 Å²	76	71.8 Å²	71.8	36%	0.355	36%	0.363	S	S	.	.	H	α-helix	trans	-70.3	-45.6	175.7	-160	-169.4	135.4	0	0	111.8	H611 I612 Q613 E617 N618 R619	H611-E615 PolarHBondContact O-N 2.57Å; I612-E615 PolarHBondContact O-N 2.9Å; Q613-E615 VanDerWaalsContact C-N 3.3Å; Q613-E615 PolarHBondContact O-N 3.4Å; E615-E617 VanDerWaalsContact C-N 3.33Å; E615-E617 PolarHBondContact O-N 2.73Å; E615-N618 CarbonylContact O-C 3.54Å; E615-N618 PolarHBondContact O-N 3.44Å; E615-N618 VanDerWaalsContact O-N 3.07Å; E615-R619 PolarHBondContact O-N 3.46Å; E615-R619 IonicContact OE1-CZ 3.94Å; E615-R619 VanDerWaalsContact OE1-CZ 3.31Å; E615-R619 IonicContact OE1-NE 3.57Å; E615-R619 PolarHBondContact OE1-NE 3.01Å; E615-R619 VanDerWaalsContact OE1-NE 3.11Å; E615-R619 IonicContact OE1-NH2 2.64Å; E615-R619 PolarHBondContact OE1-NH2 3.16Å
616	A	85.5	Confident	83.7	Confident	26 Å²	26	72.3 Å²	72.3	22%	0.215	36%	0.361	C	S	.	.	H	α-helix	trans	-62.2	-38.4	176.1	0	0	0	0	0	112.6	F573 I612 Q613 R619 M620	F573-A616 HydrophobicContact CE2-CB 3.58Å; F573-A616 HydrophobicContact CZ-CB 3.5Å; I612-A616 WeakPolarHBondContact O-CB 3.47Å; I612-A616 PolarHBondContact O-N 3.19Å; Q613-A616 PolarHBondContact O-N 3.13Å; A616-R619 PolarHBondContact O-N 2.99Å; A616-M620 PolarHBondContact O-N 3.11Å
617	E	85.6	Confident	83.6	Confident	34 Å²	34	74 Å²	74	16%	0.159	37%	0.365	C	S	.	.	H	α-helix	trans	-63	-39.7	171.2	-77	-176.5	-146.5	0	0	111.7	M566 L569 Q570 Q613 E615 L621	M566-E617 HydrophobicContact CE-CB 3.98Å; M566-E617 HydrophobicContact CE-CG 3.85Å; L569-E617 HydrophobicContact CD2-CG 4.23Å; Q570-E617 VanDerWaalsContact CG-OE1 3.23Å; Q570-E617 WeakPolarHBondContact CG-OE1 3.29Å; Q570-E617 PolarHBondContact NE2-OE1 3.39Å; Q570-E617 PolarHBondContact NE2-OE2 3.17Å; Q613-E617 WeakPolarHBondContact CG-OE1 3.42Å; Q613-E617 PolarHBondContact NE2-OE1 2.88Å; Q613-E617 WeakPolarHBondContact O-CB 3.49Å; Q613-E617 WeakPolarHBondContact O-CG 3.23Å; Q613-E617 PolarHBondContact O-N 3.3Å; E615-E617 VanDerWaalsContact C-N 3.33Å; E615-E617 PolarHBondContact O-N 2.73Å; E617-L621 VanDerWaalsContact O-CB 3.3Å; E617-L621 WeakPolarHBondContact O-CB 3.36Å; E617-L621 WeakPolarHBondContact O-CG 3.17Å; E617-L621 PolarHBondContact O-N 2.86Å
618	N	83.1	Confident	83.5	Confident	107 Å²	107	68.5 Å²	68.5	57%	0.572	34%	0.34	S	S	*	.	H	α-helix	trans	-71	-34.5	176.3	-80.2	-62	0	0	0	113.5	A614 E615 S622	A614-N618 WeakPolarHBondContact O-CB 3.44Å; A614-N618 PolarHBondContact O-N 3.37Å; A614-N618 PolarHBondContact O-ND2 3.43Å; E615-N618 CarbonylContact O-C 3.54Å; E615-N618 PolarHBondContact O-N 3.44Å; E615-N618 VanDerWaalsContact O-N 3.07Å; N618-S622 PolarHBondContact O-N 3.27Å
619	R	83.8	Confident	83.4	Confident	90 Å²	90	65.8 Å²	65.8	34%	0.34	33%	0.326	S	S	.	.	H	α-helix	trans	-62.6	-56.9	171.4	-66.8	-172.5	-168.1	-153	9.3	109.5	E615 A616 L621 S622 D623	E615-R619 PolarHBondContact O-N 3.46Å; E615-R619 IonicContact OE1-CZ 3.94Å; E615-R619 VanDerWaalsContact OE1-CZ 3.31Å; E615-R619 IonicContact OE1-NE 3.57Å; E615-R619 PolarHBondContact OE1-NE 3.01Å; E615-R619 VanDerWaalsContact OE1-NE 3.11Å; E615-R619 IonicContact OE1-NH2 2.64Å; E615-R619 PolarHBondContact OE1-NH2 3.16Å; A616-R619 PolarHBondContact O-N 2.99Å; R619-L621 PolarHBondContact O-N 3.33Å; R619-S622 WeakPolarHBondContact O-CA 3.21Å; R619-S622 WeakPolarHBondContact O-CB 3.31Å; R619-S622 PolarHBondContact O-N 2.98Å; R619-D623 VanDerWaalsContact O-CG 3.29Å; R619-D623 PolarHBondContact O-N 3.34Å
620	M	84.3	Confident	83.3	Confident	43 Å²	43	70.4 Å²	70.4	21%	0.212	35%	0.346	C	S	.	.	H	α-helix	trans	-56.4	-45.7	179.3	178.9	172.7	-76.4	0	0	113.4	E565 M566 L569 A616 S622 D623 H624	E565-M620 HydrophobicContact CB-SD 4.38Å; M566-M620 HydrophobicContact CG-CG 4.49Å; M566-M620 HydrophobicContact CG-SD 4.12Å; M566-M620 HydrophobicContact SD-CB 4.09Å; M566-M620 HydrophobicContact SD-CG 3.76Å; M566-M620 HydrophobicContact SD-SD 3.62Å; M566-M620 VanDerWaalsContact SD-SD 3.62Å; L569-M620 HydrophobicContact CB-CE 4.13Å; L569-M620 HydrophobicContact CB-SD 4.08Å; L569-M620 HydrophobicContact CD1-CE 4.16Å; L569-M620 HydrophobicContact CD2-CB 4.22Å; L569-M620 HydrophobicContact CD2-CE 3.95Å; L569-M620 HydrophobicContact CD2-SD 3.79Å; L569-M620 HydrophobicContact CG-CE 4.29Å; L569-M620 HydrophobicContact CG-SD 4.46Å; A616-M620 PolarHBondContact O-N 3.11Å; M620-S622 PolarHBondContact O-N 3.11Å; M620-D623 PolarHBondContact O-N 2.78Å; M620-H624 VanDerWaalsContact O-CB 3.29Å; M620-H624 WeakPolarHBondContact O-CB 3.23Å; M620-H624 PolarHBondContact O-N 3.37Å
621	L	84.4	Confident	83.2	Confident	92 Å²	92	68.6 Å²	68.6	48%	0.482	34%	0.335	S	S	.	.	H	α-helix	trans	-60.4	-29.6	176.5	-77.4	171.2	0	0	0	112.9	M566 E617 R619 K625	M566-L621 HydrophobicContact CE-CD1 4.08Å; M566-L621 HydrophobicContact CE-CD2 4.02Å; M566-L621 HydrophobicContact CE-CG 3.82Å; M566-L621 HydrophobicContact CG-CD2 4.2Å; M566-L621 HydrophobicContact SD-CD2 4.05Å; M566-L621 HydrophobicContact SD-CG 3.92Å; E617-L621 VanDerWaalsContact O-CB 3.3Å; E617-L621 WeakPolarHBondContact O-CB 3.36Å; E617-L621 WeakPolarHBondContact O-CG 3.17Å; E617-L621 PolarHBondContact O-N 2.86Å; R619-L621 PolarHBondContact O-N 3.33Å; L621-K625 PolarHBondContact O-N 2.97Å
622	S	81.4	Confident	83.2	Confident	23 Å²	23	64.3 Å²	64.3	16%	0.161	32%	0.315	C	S	.	.	H	α-helix	trans	-79.5	-40.7	175.9	-159.2	0	0	0	0	112.3	N618 R619 M620 H624 K625 F626 R865	N618-S622 PolarHBondContact O-N 3.27Å; R619-S622 WeakPolarHBondContact O-CA 3.21Å; R619-S622 WeakPolarHBondContact O-CB 3.31Å; R619-S622 PolarHBondContact O-N 2.98Å; M620-S622 PolarHBondContact O-N 3.11Å; S622-H624 VanDerWaalsContact C-N 3.29Å; S622-H624 PolarHBondContact O-N 3.13Å; S622-K625 WeakPolarHBondContact O-CB 3.36Å; S622-K625 PolarHBondContact O-N 3.49Å; S622-K625 VanDerWaalsContact O-N 3.1Å; S622-F626 WeakPolarHBondContact O-CD2 3.33Å; S622-F626 PolarHBondContact O-N 2.63Å; S622-F626 VanDerWaalsContact OG-CE2 3.3Å; S622-F626 WeakPolarHBondContact OG-CE2 3.14Å; S622-R865 PolarHBondContact OG-NH1 3.32Å
623	D	81.4	Confident	83.2	Confident	81 Å²	81	60.4 Å²	60.4	43%	0.433	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-43.3	174.9	-56.6	-29.8	0	0	0	110.6	R619 M620 K625 F626 Y627	R619-D623 VanDerWaalsContact O-CG 3.29Å; R619-D623 PolarHBondContact O-N 3.34Å; M620-D623 PolarHBondContact O-N 2.78Å; D623-K625 PolarHBondContact O-N 3.31Å; D623-F626 PolarHBondContact O-N 3.01Å; D623-Y627 PolarHBondContact O-N 3.25Å
624	H	84.9	Confident	83.2	Confident	15 Å²	15	60.6 Å²	60.6	7%	0.069	30%	0.302	C	S	.	.	H	α-helix	trans	-56	-45.1	170.8	-76.9	179.6	0	0	0	112.6	Q562 E565 M620 S622 F626 Y627 L628	Q562-H624 HydrophobicContact CB-CB 4.45Å; Q562-H624 WeakPolarHBondContact CB-ND1 3.37Å; Q562-H624 HydrophobicContact CG-CB 3.88Å; Q562-H624 PolarHBondContact NE2-O 3.45Å; Q562-H624 PolarHBondContact O-CE1 3.01Å; E565-H624 IonicContact OE2-CD2 2.68Å; E565-H624 IonicContact OE2-CE1 3.31Å; E565-H624 IonicContact OE2-NE2 3.11Å; E565-H624 PolarHBondContact OE2-NE2 3.48Å; M620-H624 VanDerWaalsContact O-CB 3.29Å; M620-H624 WeakPolarHBondContact O-CB 3.23Å; M620-H624 PolarHBondContact O-N 3.37Å; S622-H624 VanDerWaalsContact C-N 3.29Å; S622-H624 PolarHBondContact O-N 3.13Å; H624-F626 PolarHBondContact O-N 2.75Å; H624-Y627 PolarHBondContact O-N 2.95Å; H624-L628 PolarHBondContact O-N 2.86Å; H624-L628 VanDerWaalsContact O-N 3.17Å
625	K	81.8	Confident	83.2	Confident	128 Å²	128	59.2 Å²	59.2	56%	0.557	29%	0.29	S	S	*	.	H	α-helix	trans	-61.8	-44.1	175.5	-171	-170.2	171.1	-166.8	0	111.6	L621 S622 D623 L628 D629	L621-K625 PolarHBondContact O-N 2.97Å; S622-K625 WeakPolarHBondContact O-CB 3.36Å; S622-K625 PolarHBondContact O-N 3.49Å; S622-K625 VanDerWaalsContact O-N 3.1Å; D623-K625 PolarHBondContact O-N 3.31Å; K625-L628 PolarHBondContact O-N 3.08Å; K625-D629 PolarHBondContact O-N 2.69Å
626	F	78.1	Confident	83.2	Confident	51 Å²	51	60.9 Å²	60.9	22%	0.224	29%	0.293	C	S	.	.	H	α-helix	trans	-66.2	-38.8	179.5	-67.4	-56.4	0	0	0	113.2	S622 D623 H624 L628 D629 F630 L862	S622-F626 WeakPolarHBondContact O-CD2 3.33Å; S622-F626 PolarHBondContact O-N 2.63Å; S622-F626 VanDerWaalsContact OG-CE2 3.3Å; S622-F626 WeakPolarHBondContact OG-CE2 3.14Å; D623-F626 PolarHBondContact O-N 3.01Å; H624-F626 PolarHBondContact O-N 2.75Å; F626-L628 VanDerWaalsContact C-N 3.32Å; F626-L628 PolarHBondContact O-N 3.13Å; F626-D629 PolarHBondContact O-N 2.9Å; F626-F630 WeakPolarHBondContact O-CB 3.29Å; F626-F630 PolarHBondContact O-N 2.88Å; F626-L862 HydrophobicContact CB-CD2 3.79Å; F626-L862 HydrophobicContact CD1-CD2 3.37Å; F626-L862 HydrophobicContact CD2-CD2 4.07Å; F626-L862 HydrophobicContact CE1-CD2 3.91Å; F626-L862 HydrophobicContact CG-CD2 3.47Å; F626-L862 VanDerWaalsContact CG-CD2 3.47Å; F626-L862 HydrophobicContact CZ-CD2 4.47Å
627	Y	81.1	Confident	83.3	Confident	140 Å²	140	60.7 Å²	60.7	55%	0.549	29%	0.293	S	S	.	.	H	α-helix	trans	-60	-43.9	175.1	-169.4	-89.9	0	0	0	111.5	I558 D623 H624 F630 E631	I558-Y627 HydrophobicContact CG2-CD1 4.28Å; D623-Y627 PolarHBondContact O-N 3.25Å; H624-Y627 PolarHBondContact O-N 2.95Å; Y627-F630 PolarHBondContact O-N 2.88Å; Y627-E631 PolarHBondContact O-N 2.71Å
628	L	82.5	Confident	83.3	Confident	29 Å²	29	65.3 Å²	65.3	15%	0.152	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-47.9	174.7	-178.6	65.3	0	0	0	111.7	R555 I558 H624 K625 F626 F630 E631 E632	R555-L628 HydrophobicContact CG-CD1 4.49Å; I558-L628 HydrophobicContact CB-CD1 4.09Å; I558-L628 HydrophobicContact CD1-CD1 3.67Å; I558-L628 HydrophobicContact CG2-CB 4.2Å; I558-L628 HydrophobicContact CG2-CD1 3.87Å; H624-L628 PolarHBondContact O-N 2.86Å; H624-L628 VanDerWaalsContact O-N 3.17Å; K625-L628 PolarHBondContact O-N 3.08Å; F626-L628 VanDerWaalsContact C-N 3.32Å; F626-L628 PolarHBondContact O-N 3.13Å; L628-F630 VanDerWaalsContact C-N 3.27Å; L628-F630 PolarHBondContact O-N 2.84Å; L628-E631 PolarHBondContact O-N 3.49Å; L628-E632 HydrophobicContact CD1-CG 4.34Å; L628-E632 VanDerWaalsContact CD1-OE1 3.28Å; L628-E632 WeakPolarHBondContact CD1-OE1 3.31Å; L628-E632 WeakPolarHBondContact CG-OE1 3.37Å; L628-E632 WeakPolarHBondContact O-CB 3.47Å; L628-E632 VanDerWaalsContact O-CG 3.3Å; L628-E632 WeakPolarHBondContact O-CG 3.22Å; L628-E632 PolarHBondContact O-N 2.78Å
629	D	80.2	Confident	83.4	Confident	38 Å²	38	62.2 Å²	62.2	20%	0.203	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-30.2	177.7	-94.9	-46.3	0	0	0	113	K625 F626 L633 R858	K625-D629 PolarHBondContact O-N 2.69Å; F626-D629 PolarHBondContact O-N 2.9Å; D629-L633 WeakPolarHBondContact O-CG 3.46Å; D629-L633 PolarHBondContact O-N 3.4Å; D629-R858 PolarHBondContact O-NH1 2.93Å; D629-R858 IonicContact OD1-CZ 2.68Å; D629-R858 IonicContact OD1-NH1 3.25Å; D629-R858 PolarHBondContact OD1-NH1 3.22Å; D629-R858 IonicContact OD1-NH2 3.13Å; D629-R858 PolarHBondContact OD1-NH2 3.04Å
630	F	82.3	Confident	83.6	Confident	124 Å²	124	59.2 Å²	59.2	54%	0.544	28%	0.282	S	S	.	.	H	α-helix	trans	-77	-44.8	175.3	-179.6	-94.6	0	0	0	112.4	F626 Y627 L628 E632 L633 A634	F626-F630 WeakPolarHBondContact O-CB 3.29Å; F626-F630 PolarHBondContact O-N 2.88Å; Y627-F630 PolarHBondContact O-N 2.88Å; L628-F630 VanDerWaalsContact C-N 3.27Å; L628-F630 PolarHBondContact O-N 2.84Å; F630-E632 VanDerWaalsContact C-N 3.34Å; F630-L633 WeakPolarHBondContact O-CB 3.5Å; F630-L633 PolarHBondContact O-N 3.45Å; F630-A634 PolarHBondContact O-N 2.94Å
631	E	83.3	Confident	83.8	Confident	49 Å²	49	63.5 Å²	63.5	23%	0.229	30%	0.301	C	S	.	.	H	α-helix	trans	-72.9	-29	-179.8	-159.3	172.9	-173.2	0	0	112.2	L554 I558 Y627 L628 A634 S635	L554-E631 HydrophobicContact CD1-CG 4.44Å; L554-E631 HydrophobicContact CD2-CG 4.33Å; I558-E631 HydrophobicContact CD1-CB 4.16Å; I558-E631 HydrophobicContact CD1-CG 4.47Å; I558-E631 VanDerWaalsContact CD1-OE2 3.28Å; I558-E631 WeakPolarHBondContact CD1-OE2 3.24Å; Y627-E631 PolarHBondContact O-N 2.71Å; L628-E631 PolarHBondContact O-N 3.49Å; E631-A634 PolarHBondContact O-N 2.75Å; E631-S635 WeakPolarHBondContact O-CB 3.35Å; E631-S635 PolarHBondContact O-N 3.01Å
632	E	82.8	Confident	83.9	Confident	33 Å²	33	63.5 Å²	63.5	15%	0.154	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-42.7	168.4	-76	-178.7	-156.6	0	0	112.4	R555 L628 F630 S635 R636	R555-E632 IonicContact CZ-OE1 2.7Å; R555-E632 IonicContact CZ-OE2 3.46Å; R555-E632 IonicContact NE-OE1 3.18Å; R555-E632 IonicContact NH1-OE1 3.54Å; R555-E632 PolarHBondContact NH1-OE1 3.32Å; R555-E632 IonicContact NH1-OE2 2.77Å; R555-E632 PolarHBondContact NH1-OE2 3.39Å; R555-E632 IonicContact NH2-OE1 2.72Å; R555-E632 IonicContact NH2-OE2 3.56Å; R555-E632 PolarHBondContact NH2-OE2 3.3Å; L628-E632 HydrophobicContact CD1-CG 4.34Å; L628-E632 VanDerWaalsContact CD1-OE1 3.28Å; L628-E632 WeakPolarHBondContact CD1-OE1 3.31Å; L628-E632 WeakPolarHBondContact CG-OE1 3.37Å; L628-E632 WeakPolarHBondContact O-CB 3.47Å; L628-E632 VanDerWaalsContact O-CG 3.3Å; L628-E632 WeakPolarHBondContact O-CG 3.22Å; L628-E632 PolarHBondContact O-N 2.78Å; F630-E632 VanDerWaalsContact C-N 3.34Å; E632-S635 PolarHBondContact O-N 2.88Å; E632-R636 WeakPolarHBondContact O-CB 3.45Å; E632-R636 PolarHBondContact O-N 2.94Å
633	L	84.4	Confident	84.1	Confident	12 Å²	12	64.9 Å²	64.9	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-58.1	-50.2	170.5	-84.9	171.3	0	0	0	111.4	D629 F630 S635 R636 G637 F851 R855 R858	D629-L633 WeakPolarHBondContact O-CG 3.46Å; D629-L633 PolarHBondContact O-N 3.4Å; F630-L633 WeakPolarHBondContact O-CB 3.5Å; F630-L633 PolarHBondContact O-N 3.45Å; L633-S635 PolarHBondContact O-N 3.47Å; L633-R636 PolarHBondContact O-N 3.46Å; L633-G637 PolarHBondContact O-N 3.33Å; L633-F851 HydrophobicContact CD2-CE2 4.02Å; L633-F851 WeakPolarHBondContact O-CZ 3.16Å; L633-R855 HydrophobicContact CD1-CG 4.13Å; L633-R855 HydrophobicContact CD2-CB 4.43Å; L633-R858 HydrophobicContact CD1-CB 3.99Å; L633-R858 HydrophobicContact CD1-CG 4.32Å
634	A	86.2	Confident	84.5	Confident	37 Å²	37	61.7 Å²	61.7	31%	0.306	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-35.4	179.7	0	0	0	0	0	112	F630 E631 R638	F630-A634 PolarHBondContact O-N 2.94Å; E631-A634 PolarHBondContact O-N 2.75Å; A634-R638 WeakPolarHBondContact O-CG 3.45Å; A634-R638 PolarHBondContact O-N 2.97Å; A634-R638 PolarHBondContact O-NE 3.35Å
635	S	85.6	Confident	84.8	Confident	15 Å²	15	64.3 Å²	64.3	11%	0.105	31%	0.311	C	S	.	.	H	α-helix	trans	-67.3	-48.6	173.3	-159.7	0	0	0	0	112	E631 E632 L633 G637 R638 Q639	E631-S635 WeakPolarHBondContact O-CB 3.35Å; E631-S635 PolarHBondContact O-N 3.01Å; E632-S635 PolarHBondContact O-N 2.88Å; L633-S635 PolarHBondContact O-N 3.47Å; S635-G637 VanDerWaalsContact C-N 3.34Å; S635-G637 PolarHBondContact O-N 3.29Å; S635-R638 WeakPolarHBondContact O-CB 3.46Å; S635-R638 PolarHBondContact O-N 3.37Å; S635-R638 VanDerWaalsContact O-N 3.17Å; S635-Q639 WeakPolarHBondContact O-CG 3.04Å; S635-Q639 PolarHBondContact O-N 2.9Å
636	R	84.6	Confident	85.1	Confident	112 Å²	112	59.2 Å²	59.2	42%	0.423	29%	0.29	S	S	.	.	H	α-helix	trans	-62.4	-36.8	178.5	-177.6	169.4	164	-148.9	-9.9	112.6	E632 L633 Q639 L640 F851 E854	E632-R636 WeakPolarHBondContact O-CB 3.45Å; E632-R636 PolarHBondContact O-N 2.94Å; L633-R636 PolarHBondContact O-N 3.46Å; R636-Q639 WeakPolarHBondContact O-CB 3.47Å; R636-Q639 PolarHBondContact O-N 3.24Å; R636-L640 WeakPolarHBondContact O-CB 3.22Å; R636-L640 PolarHBondContact O-N 3.49Å; R636-F851 HydrophobicContact CB-CE2 4.19Å; R636-F851 HydrophobicContact CG-CD2 4.37Å; R636-F851 HydrophobicContact CG-CE2 4.15Å; R636-E854 IonicContact CZ-OE2 3.64Å; R636-E854 IonicContact NH1-OE2 2.89Å; R636-E854 PolarHBondContact NH1-OE2 2.87Å; R636-E854 IonicContact NH2-OE1 2.76Å; R636-E854 PolarHBondContact NH2-OE1 2.9Å; R636-E854 VanDerWaalsContact NH2-OE1 3.15Å; R636-E854 IonicContact NH2-OE2 3.73Å; R636-E854 PolarHBondContact NH2-OE2 3.48Å
637	G	86.9	Confident	85.6	Confident	21 Å²	21	59.2 Å²	59.2	22%	0.216	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-43	172.9	0	0	0	0	0	112.9	L633 S635 L640 H641 F851	L633-G637 PolarHBondContact O-N 3.33Å; S635-G637 VanDerWaalsContact C-N 3.34Å; S635-G637 PolarHBondContact O-N 3.29Å; G637-L640 PolarHBondContact O-N 3.19Å; G637-H641 PolarHBondContact O-N 3Å; G637-H641 VanDerWaalsContact O-N 3.12Å; G637-F851 VanDerWaalsContact CA-CZ 3.4Å
638	R	86.7	Confident	86	Confident	132 Å²	132	58 Å²	58	50%	0.498	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-38.7	173	-68.3	-179.6	-64.3	-110.7	6.2	112.1	A634 S635 N642	A634-R638 WeakPolarHBondContact O-CG 3.45Å; A634-R638 PolarHBondContact O-N 2.97Å; A634-R638 PolarHBondContact O-NE 3.35Å; S635-R638 WeakPolarHBondContact O-CB 3.46Å; S635-R638 PolarHBondContact O-N 3.37Å; S635-R638 VanDerWaalsContact O-N 3.17Å; R638-N642 WeakPolarHBondContact O-CB 3.1Å; R638-N642 VanDerWaalsContact O-CG 3.29Å; R638-N642 PolarHBondContact O-N 3.29Å; R638-N642 PolarHBondContact O-ND2 3.28Å; R638-N642 VanDerWaalsContact O-ND2 3.07Å
639	Q	85.4	Confident	86.3	Confident	41 Å²	41	65 Å²	65	19%	0.192	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-45.4	174.9	-66.8	178.8	13.7	0	0	111.6	N547 S635 R636 N642 T643	N547-Q639 HydrophobicContact CB-CG 4.24Å; S635-Q639 WeakPolarHBondContact O-CG 3.04Å; S635-Q639 PolarHBondContact O-N 2.9Å; R636-Q639 WeakPolarHBondContact O-CB 3.47Å; R636-Q639 PolarHBondContact O-N 3.24Å; Q639-N642 WeakPolarHBondContact O-CB 3.2Å; Q639-N642 PolarHBondContact O-N 2.98Å; Q639-T643 PolarHBondContact O-N 3.18Å; Q639-T643 PolarHBondContact O-OG1 3.46Å
640	L	87.9	Confident	86.7	Confident	27 Å²	27	64.4 Å²	64.4	14%	0.141	31%	0.307	C	S	.	.	H	α-helix	trans	-59.6	-49.8	-179.6	-174.2	62.9	0	0	0	111.7	R636 G637 N642 T643 H644 E847 L848 F851	R636-L640 WeakPolarHBondContact O-CB 3.22Å; R636-L640 PolarHBondContact O-N 3.49Å; G637-L640 PolarHBondContact O-N 3.19Å; L640-N642 VanDerWaalsContact C-N 3.31Å; L640-N642 PolarHBondContact O-N 3.28Å; L640-T643 WeakPolarHBondContact CA-OG1 3.28Å; L640-T643 PolarHBondContact O-N 3.05Å; L640-T643 VanDerWaalsContact O-N 3.08Å; L640-T643 PolarHBondContact O-OG1 3.42Å; L640-H644 WeakPolarHBondContact CD1-NE2 3.48Å; L640-H644 PolarHBondContact O-N 3.25Å; L640-E847 HydrophobicContact CD1-CB 4.23Å; L640-L848 HydrophobicContact CD2-CD2 4Å; L640-F851 HydrophobicContact CD2-CB 3.82Å; L640-F851 HydrophobicContact CD2-CD1 4.43Å; L640-F851 HydrophobicContact CD2-CG 4.07Å
641	H	87.7	Confident	87.2	Confident	134 Å²	134	59.2 Å²	59.2	62%	0.62	28%	0.284	S	S	*	.	H	α-helix	trans	-57.5	-42.6	175.6	-176.5	84.5	0	0	0	112.3	G637 T643 H644 S645	G637-H641 PolarHBondContact O-N 3Å; G637-H641 VanDerWaalsContact O-N 3.12Å; H641-T643 PolarHBondContact O-N 3.06Å; H641-H644 PolarHBondContact O-N 2.82Å; H641-S645 WeakPolarHBondContact O-CB 3.43Å; H641-S645 PolarHBondContact O-N 3.15Å
642	N	86.1	Confident	87.6	Confident	92 Å²	92	62.1 Å²	62.1	49%	0.492	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-36.5	176	-75.7	-33.2	0	0	0	112.8	R638 Q639 L640 L646	R638-N642 WeakPolarHBondContact O-CB 3.1Å; R638-N642 VanDerWaalsContact O-CG 3.29Å; R638-N642 PolarHBondContact O-N 3.29Å; R638-N642 PolarHBondContact O-ND2 3.28Å; R638-N642 VanDerWaalsContact O-ND2 3.07Å; Q639-N642 WeakPolarHBondContact O-CB 3.2Å; Q639-N642 PolarHBondContact O-N 2.98Å; L640-N642 VanDerWaalsContact C-N 3.31Å; L640-N642 PolarHBondContact O-N 3.28Å; N642-L646 PolarHBondContact O-N 3.36Å; N642-L646 VanDerWaalsContact O-N 3.16Å
643	T	85.4	Confident	88	Confident	51 Å²	51	63.6 Å²	63.6	31%	0.313	31%	0.309	S	S	.	.	H	α-helix	trans	-70.3	-38.9	174.7	46.2	0	0	0	0	112.6	Q639 L640 H641 L646 L647	Q639-T643 PolarHBondContact O-N 3.18Å; Q639-T643 PolarHBondContact O-OG1 3.46Å; L640-T643 WeakPolarHBondContact CA-OG1 3.28Å; L640-T643 PolarHBondContact O-N 3.05Å; L640-T643 VanDerWaalsContact O-N 3.08Å; L640-T643 PolarHBondContact O-OG1 3.42Å; H641-T643 PolarHBondContact O-N 3.06Å; T643-L646 PolarHBondContact O-N 3.26Å; T643-L647 WeakPolarHBondContact O-CG 3.2Å; T643-L647 PolarHBondContact O-N 3.43Å
644	H	91	Very high	88.3	Confident	15 Å²	15	63.9 Å²	63.9	7%	0.069	31%	0.311	C	S	.	.	H	α-helix	trans	-66.4	-42.2	176.8	-69.4	-177.6	0	0	0	112	L640 H641 L646 L647 R648 M844 E847	L640-H644 WeakPolarHBondContact CD1-NE2 3.48Å; L640-H644 PolarHBondContact O-N 3.25Å; H641-H644 PolarHBondContact O-N 2.82Å; H644-L646 VanDerWaalsContact C-N 3.33Å; H644-L646 PolarHBondContact O-N 2.69Å; H644-L647 PolarHBondContact O-N 3.38Å; H644-R648 PolarHBondContact O-N 2.97Å; H644-M844 HydrophobicContact CB-CG 4.23Å; H644-M844 HydrophobicContact CB-SD 3.55Å; H644-M844 VanDerWaalsContact CB-SD 3.55Å; H644-M844 PolarHBondContact CE1-O 3.25Å; H644-M844 VanDerWaalsContact CE1-O 3.27Å; H644-E847 IonicContact CD2-OE2 2.68Å; H644-E847 IonicContact CE1-OE2 2.77Å; H644-E847 IonicContact NE2-OE2 3.32Å; H644-E847 PolarHBondContact NE2-OE2 3.04Å
645	S	90.1	Very high	88.6	Confident	70 Å²	70	65.2 Å²	65.2	49%	0.49	31%	0.311	S	S	.	.	H	α-helix	trans	-58.6	-43	172.4	-175.3	0	0	0	0	112.2	H641 R649	H641-S645 WeakPolarHBondContact O-CB 3.43Å; H641-S645 PolarHBondContact O-N 3.15Å; S645-R649 PolarHBondContact O-N 3.04Å
646	L	87.8	Confident	88.9	Confident	20 Å²	20	68.4 Å²	68.4	11%	0.105	33%	0.327	C	S	.	.	H	α-helix	trans	-66	-41.8	175.8	-178.6	64.1	0	0	0	112.4	E539 L540 N642 T643 H644 R649 Q650	E539-L646 HydrophobicContact CG-CD1 4.47Å; L540-L646 HydrophobicContact CD2-CD2 3.62Å; L540-L646 HydrophobicContact CG-CD2 4.06Å; N642-L646 PolarHBondContact O-N 3.36Å; N642-L646 VanDerWaalsContact O-N 3.16Å; T643-L646 PolarHBondContact O-N 3.26Å; H644-L646 VanDerWaalsContact C-N 3.33Å; H644-L646 PolarHBondContact O-N 2.69Å; L646-R649 PolarHBondContact O-N 2.75Å; L646-Q650 HydrophobicContact CD1-CG 4.35Å; L646-Q650 HydrophobicContact CG-CG 4.44Å; L646-Q650 WeakPolarHBondContact O-CG 3.41Å; L646-Q650 PolarHBondContact O-N 2.82Å
647	L	88.7	Confident	89.1	Confident	51 Å²	51	64.6 Å²	64.6	27%	0.267	32%	0.315	S	S	.	.	H	α-helix	trans	-62.8	-44.6	179	-79.4	162.2	0	0	0	112.1	T643 H644 R649 Q650 H651 M844	T643-L647 WeakPolarHBondContact O-CG 3.2Å; T643-L647 PolarHBondContact O-N 3.43Å; H644-L647 PolarHBondContact O-N 3.38Å; L647-R649 PolarHBondContact O-N 2.92Å; L647-Q650 PolarHBondContact O-N 3.28Å; L647-H651 PolarHBondContact O-N 2.6Å; L647-M844 HydrophobicContact CB-SD 4.47Å
648	R	90.2	Very high	89.3	Confident	115 Å²	115	64.6 Å²	64.6	43%	0.434	31%	0.309	S	S	.	.	H	α-helix	trans	-56.4	-50.2	172.4	-73.8	-175.3	175.6	-83.5	-0.6	111.1	H644 Q650 H651 E652 E841 M844	H644-R648 PolarHBondContact O-N 2.97Å; R648-Q650 VanDerWaalsContact C-N 3.33Å; R648-Q650 PolarHBondContact O-N 2.81Å; R648-H651 WeakPolarHBondContact O-CB 3.26Å; R648-H651 PolarHBondContact O-N 2.8Å; R648-H651 VanDerWaalsContact O-N 3.08Å; R648-E652 WeakPolarHBondContact O-CG 3.36Å; R648-E652 PolarHBondContact O-N 3.41Å; R648-E841 IonicContact CZ-OE1 2.72Å; R648-E841 IonicContact NH1-OE1 3.18Å; R648-E841 PolarHBondContact NH1-OE1 3.39Å; R648-E841 IonicContact NH2-OE1 3.01Å; R648-E841 PolarHBondContact NH2-OE1 3.19Å; R648-M844 HydrophobicContact CG-CE 3.94Å; R648-M844 HydrophobicContact CG-SD 4.36Å
649	R	89.9	Confident	89.5	Confident	176 Å²	176	61 Å²	61	66%	0.664	30%	0.3	S	S	*	.	H	α-helix	trans	-62.9	-35.3	179.2	-167.9	177.1	-177.4	126.8	3.3	113.6	S645 L646 L647 V653	S645-R649 PolarHBondContact O-N 3.04Å; L646-R649 PolarHBondContact O-N 2.75Å; L647-R649 PolarHBondContact O-N 2.92Å; R649-V653 WeakPolarHBondContact O-CG2 3.32Å; R649-V653 PolarHBondContact O-N 3.38Å
650	Q	88.1	Confident	89.8	Confident	25 Å²	25	64.4 Å²	64.4	12%	0.117	31%	0.314	C	S	.	.	H	α-helix	trans	-68.7	-35.6	174.1	-74.2	-174.7	1	0	0	112	H536 L646 L647 R648 T654	H536-Q650 HydrophobicContact CB-CG 4.49Å; H536-Q650 PolarHBondContact O-NE2 3.49Å; L646-Q650 HydrophobicContact CD1-CG 4.35Å; L646-Q650 HydrophobicContact CG-CG 4.44Å; L646-Q650 WeakPolarHBondContact O-CG 3.41Å; L646-Q650 PolarHBondContact O-N 2.82Å; L647-Q650 PolarHBondContact O-N 3.28Å; R648-Q650 VanDerWaalsContact C-N 3.33Å; R648-Q650 PolarHBondContact O-N 2.81Å; Q650-T654 WeakPolarHBondContact O-CB 3.34Å; Q650-T654 PolarHBondContact O-N 3.37Å; Q650-T654 PolarHBondContact O-OG1 3.03Å
651	H	91.6	Very high	89.9	Confident	15 Å²	15	64.1 Å²	64.1	7%	0.069	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-52	171.9	-176.8	117.9	0	0	0	111	L647 R648 V653 T654 Q655 V833 R836 C837 L840	L647-H651 PolarHBondContact O-N 2.6Å; R648-H651 WeakPolarHBondContact O-CB 3.26Å; R648-H651 PolarHBondContact O-N 2.8Å; R648-H651 VanDerWaalsContact O-N 3.08Å; H651-V653 PolarHBondContact O-N 3.01Å; H651-T654 WeakPolarHBondContact O-CB 3.49Å; H651-T654 PolarHBondContact O-N 2.88Å; H651-T654 VanDerWaalsContact O-N 3.08Å; H651-Q655 PolarHBondContact O-N 2.89Å; H651-V833 PolarHBondContact CE1-O 3.06Å; H651-R836 PolarHBondContact CE1-NE 2.84Å; H651-R836 PolarHBondContact ND1-NE 3.1Å; H651-C837 PolarHBondContact CE1-N 3.49Å; H651-L840 HydrophobicContact CB-CD1 3.98Å; H651-L840 WeakPolarHBondContact ND1-CD1 3.46Å
652	E	92.3	Very high	90.1	Very high	110 Å²	110	59.4 Å²	59.4	51%	0.514	29%	0.291	S	S	.	.	H	α-helix	trans	-51.9	-53.4	-178.8	-70.6	163.8	-178.2	0	0	111.4	R648 T654 Q655 D656	R648-E652 WeakPolarHBondContact O-CG 3.36Å; R648-E652 PolarHBondContact O-N 3.41Å; E652-T654 VanDerWaalsContact C-N 3.27Å; E652-T654 PolarHBondContact O-N 2.75Å; E652-Q655 WeakPolarHBondContact O-CB 3.38Å; E652-Q655 PolarHBondContact O-N 2.98Å; E652-D656 WeakPolarHBondContact O-CB 3.48Å; E652-D656 PolarHBondContact O-N 3.26Å
653	V	91.6	Very high	90.4	Very high	64 Å²	64	60.1 Å²	60.1	39%	0.388	29%	0.291	S	S	.	.	H	α-helix	trans	-63.4	-32.8	-179.5	177.5	0	0	0	0	112.2	L532 R649 H651 L657	L532-V653 HydrophobicContact CD1-CG1 3.79Å; L532-V653 HydrophobicContact CD2-CG1 4.25Å; R649-V653 WeakPolarHBondContact O-CG2 3.32Å; R649-V653 PolarHBondContact O-N 3.38Å; H651-V653 PolarHBondContact O-N 3.01Å; V653-L657 PolarHBondContact O-N 3.25Å; V653-L657 VanDerWaalsContact O-N 3.17Å
654	T	89.8	Confident	90.6	Very high	19 Å²	19	59.8 Å²	59.8	12%	0.117	29%	0.291	C	S	.	.	H	α-helix	trans	-71.3	-45.1	177.1	-53.5	0	0	0	0	111.4	Q650 H651 E652 D656 L657 E658	Q650-T654 WeakPolarHBondContact O-CB 3.34Å; Q650-T654 PolarHBondContact O-N 3.37Å; Q650-T654 PolarHBondContact O-OG1 3.03Å; H651-T654 WeakPolarHBondContact O-CB 3.49Å; H651-T654 PolarHBondContact O-N 2.88Å; H651-T654 VanDerWaalsContact O-N 3.08Å; E652-T654 VanDerWaalsContact C-N 3.27Å; E652-T654 PolarHBondContact O-N 2.75Å; T654-D656 VanDerWaalsContact C-N 3.33Å; T654-D656 PolarHBondContact O-N 3.01Å; T654-L657 PolarHBondContact O-N 2.92Å; T654-E658 WeakPolarHBondContact O-CG 3.39Å; T654-E658 PolarHBondContact O-N 3.37Å
655	Q	92.6	Very high	90.4	Very high	65 Å²	65	60.6 Å²	60.6	30%	0.304	29%	0.294	S	S	.	.	H	α-helix	trans	-57.5	-46.1	173.1	166.1	-176.8	-6.6	0	0	111.2	H651 E652 L657 E658 I659 V833	H651-Q655 PolarHBondContact O-N 2.89Å; E652-Q655 WeakPolarHBondContact O-CB 3.38Å; E652-Q655 PolarHBondContact O-N 2.98Å; Q655-L657 VanDerWaalsContact C-N 3.26Å; Q655-L657 PolarHBondContact O-N 3.08Å; Q655-E658 PolarHBondContact O-N 3.37Å; Q655-I659 HydrophobicContact CG-CD1 3.73Å; Q655-I659 VanDerWaalsContact O-CG1 3.3Å; Q655-I659 WeakPolarHBondContact O-CG1 3.35Å; Q655-I659 PolarHBondContact O-N 2.94Å; Q655-V833 HydrophobicContact CB-CG1 4.27Å; Q655-V833 HydrophobicContact CB-CG2 4.39Å; Q655-V833 VanDerWaalsContact CD-CG1 3.49Å; Q655-V833 HydrophobicContact CG-CG1 3.81Å; Q655-V833 HydrophobicContact CG-CG2 4.18Å
656	D	92.3	Very high	90.5	Very high	82 Å²	82	58.5 Å²	58.5	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-36	-179.9	-127.8	40.8	0	0	0	112	E652 T654 K660	E652-D656 WeakPolarHBondContact O-CB 3.48Å; E652-D656 PolarHBondContact O-N 3.26Å; T654-D656 VanDerWaalsContact C-N 3.33Å; T654-D656 PolarHBondContact O-N 3.01Å; D656-K660 WeakPolarHBondContact O-CD 3.29Å; D656-K660 WeakPolarHBondContact O-CE 3.34Å; D656-K660 WeakPolarHBondContact O-CG 3.23Å; D656-K660 PolarHBondContact O-N 3.45Å; D656-K660 IonicContact OD2-NZ 3.57Å; D656-K660 PolarHBondContact OD2-NZ 3.23Å
657	L	89.7	Confident	90.7	Very high	31 Å²	31	62.3 Å²	62.3	16%	0.162	30%	0.297	C	S	.	.	H	α-helix	trans	-71.5	-49.1	174.8	-176.2	62.5	0	0	0	111.5	L529 L532 V653 T654 Q655 I659 K660 Q661	L529-L657 HydrophobicContact CD2-CD2 4.22Å; L529-L657 HydrophobicContact CG-CD2 4.2Å; L532-L657 HydrophobicContact CD2-CD2 3.9Å; V653-L657 PolarHBondContact O-N 3.25Å; V653-L657 VanDerWaalsContact O-N 3.17Å; T654-L657 PolarHBondContact O-N 2.92Å; Q655-L657 VanDerWaalsContact C-N 3.26Å; Q655-L657 PolarHBondContact O-N 3.08Å; L657-I659 VanDerWaalsContact C-N 3.29Å; L657-I659 PolarHBondContact O-N 3.01Å; L657-K660 PolarHBondContact O-N 2.93Å; L657-K660 VanDerWaalsContact O-N 3.14Å; L657-Q661 HydrophobicContact CD1-CG 4.37Å; L657-Q661 HydrophobicContact CG-CG 4.43Å; L657-Q661 VanDerWaalsContact O-CG 3.31Å; L657-Q661 WeakPolarHBondContact O-CG 3.38Å; L657-Q661 PolarHBondContact O-N 2.99Å
658	E	89.9	Confident	90.6	Very high	22 Å²	22	61.5 Å²	61.5	10%	0.103	29%	0.293	C	S	.	.	H	α-helix	trans	-58.6	-39.2	179.1	-70.7	173.9	116.6	0	0	112.2	T654 Q655 Q661 L662 L829 K832 R836	T654-E658 WeakPolarHBondContact O-CG 3.39Å; T654-E658 PolarHBondContact O-N 3.37Å; Q655-E658 PolarHBondContact O-N 3.37Å; E658-Q661 PolarHBondContact O-N 2.97Å; E658-L662 WeakPolarHBondContact O-CB 3.48Å; E658-L662 PolarHBondContact O-N 3.37Å; E658-L829 HydrophobicContact CB-CD1 3.94Å; E658-L829 HydrophobicContact CB-CD2 4.27Å; E658-K832 IonicContact OE1-NZ 2.89Å; E658-K832 PolarHBondContact OE1-NZ 2.99Å; E658-R836 IonicContact OE1-NH1 2.65Å; E658-R836 PolarHBondContact OE1-NH1 2.91Å; E658-R836 IonicContact OE2-CZ 3.69Å; E658-R836 IonicContact OE2-NH1 3.15Å; E658-R836 PolarHBondContact OE2-NH1 3.16Å; E658-R836 IonicContact OE2-NH2 3.8Å; E658-R836 PolarHBondContact OE2-NH2 3.38Å
659	I	92.6	Very high	90.4	Very high	57 Å²	57	60 Å²	60	29%	0.292	29%	0.287	S	S	.	.	H	α-helix	trans	-64.9	-44.1	176.1	-69.8	169.3	0	0	0	111.1	Q655 L657 L662 Q663 L829	Q655-I659 HydrophobicContact CG-CD1 3.73Å; Q655-I659 VanDerWaalsContact O-CG1 3.3Å; Q655-I659 WeakPolarHBondContact O-CG1 3.35Å; Q655-I659 PolarHBondContact O-N 2.94Å; L657-I659 VanDerWaalsContact C-N 3.29Å; L657-I659 PolarHBondContact O-N 3.01Å; I659-L662 PolarHBondContact O-N 3.18Å; I659-Q663 HydrophobicContact CG2-CG 4.47Å; I659-Q663 WeakPolarHBondContact O-CB 3.41Å; I659-Q663 VanDerWaalsContact O-CG 3.29Å; I659-Q663 WeakPolarHBondContact O-CG 3.44Å; I659-Q663 PolarHBondContact O-N 3.36Å; I659-L829 HydrophobicContact CG1-CD2 4.01Å
660	K	91.7	Very high	90.5	Very high	112 Å²	112	53.5 Å²	53.5	49%	0.487	27%	0.267	S	S	.	.	H	α-helix	trans	-66.4	-38.2	178.5	-71.3	162.4	-162.6	158.4	0	111.9	D656 L657 Q663 S664	D656-K660 WeakPolarHBondContact O-CD 3.29Å; D656-K660 WeakPolarHBondContact O-CE 3.34Å; D656-K660 WeakPolarHBondContact O-CG 3.23Å; D656-K660 PolarHBondContact O-N 3.45Å; D656-K660 IonicContact OD2-NZ 3.57Å; D656-K660 PolarHBondContact OD2-NZ 3.23Å; L657-K660 PolarHBondContact O-N 2.93Å; L657-K660 VanDerWaalsContact O-N 3.14Å; K660-Q663 PolarHBondContact O-N 3.46Å; K660-S664 WeakPolarHBondContact O-CB 3.3Å; K660-S664 PolarHBondContact O-N 2.92Å
661	Q	89.2	Confident	90.6	Very high	21 Å²	21	56.7 Å²	56.7	10%	0.098	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-46.3	174.3	-69.7	179.7	-7.2	0	0	111.3	F525 L657 E658 S664 F665	F525-Q661 HydrophobicContact CB-CG 4.28Å; F525-Q661 HydrophobicContact CD1-CG 3.69Å; F525-Q661 HydrophobicContact CD2-CB 3.89Å; F525-Q661 HydrophobicContact CD2-CG 3.78Å; F525-Q661 HydrophobicContact CE1-CB 4.5Å; F525-Q661 HydrophobicContact CE1-CG 3.88Å; F525-Q661 HydrophobicContact CE2-CB 3.79Å; F525-Q661 HydrophobicContact CE2-CG 3.95Å; F525-Q661 HydrophobicContact CG-CB 4.3Å; F525-Q661 HydrophobicContact CG-CG 3.66Å; F525-Q661 HydrophobicContact CZ-CB 4.12Å; F525-Q661 HydrophobicContact CZ-CG 4Å; L657-Q661 HydrophobicContact CD1-CG 4.37Å; L657-Q661 HydrophobicContact CG-CG 4.43Å; L657-Q661 VanDerWaalsContact O-CG 3.31Å; L657-Q661 WeakPolarHBondContact O-CG 3.38Å; L657-Q661 PolarHBondContact O-N 2.99Å; E658-Q661 PolarHBondContact O-N 2.97Å; Q661-S664 WeakPolarHBondContact O-CB 3.36Å; Q661-S664 PolarHBondContact O-N 2.95Å; Q661-F665 VanDerWaalsContact O-CD2 3.29Å; Q661-F665 WeakPolarHBondContact O-CD2 3.49Å; Q661-F665 PolarHBondContact O-N 3.33Å; Q661-F665 VanDerWaalsContact O-N 3.13Å
662	L	91.7	Very high	90.2	Very high	34 Å²	34	58 Å²	58	18%	0.178	29%	0.288	C	S	.	.	H	α-helix	trans	-62.8	-45.9	176.6	-174.2	64	0	0	0	112.1	E658 I659 S664 F665 H666 E825 K826 L829	E658-L662 WeakPolarHBondContact O-CB 3.48Å; E658-L662 PolarHBondContact O-N 3.37Å; I659-L662 PolarHBondContact O-N 3.18Å; L662-S664 VanDerWaalsContact C-N 3.26Å; L662-S664 PolarHBondContact O-N 3.03Å; L662-F665 PolarHBondContact O-N 3.19Å; L662-H666 WeakPolarHBondContact CD1-NE2 3.48Å; L662-H666 PolarHBondContact O-CD2 3.45Å; L662-H666 VanDerWaalsContact O-CG 3.32Å; L662-H666 PolarHBondContact O-N 3.23Å; L662-E825 HydrophobicContact CD1-CB 4.17Å; L662-K826 HydrophobicContact CD2-CB 4.4Å; L662-L829 HydrophobicContact CB-CD2 4.11Å; L662-L829 HydrophobicContact CD2-CB 4.13Å; L662-L829 HydrophobicContact CD2-CD2 3.72Å
663	Q	92.9	Very high	89.9	Confident	107 Å²	107	53.6 Å²	53.6	50%	0.5	27%	0.268	S	S	.	.	H	α-helix	trans	-59.2	-36.4	175.5	-74.5	174.4	-2.3	0	0	112.4	I659 K660 H666 N667	I659-Q663 HydrophobicContact CG2-CG 4.47Å; I659-Q663 WeakPolarHBondContact O-CB 3.41Å; I659-Q663 VanDerWaalsContact O-CG 3.29Å; I659-Q663 WeakPolarHBondContact O-CG 3.44Å; I659-Q663 PolarHBondContact O-N 3.36Å; K660-Q663 PolarHBondContact O-N 3.46Å; Q663-H666 PolarHBondContact O-N 3.47Å; Q663-N667 WeakPolarHBondContact O-CB 3.47Å; Q663-N667 VanDerWaalsContact O-CG 3.28Å; Q663-N667 PolarHBondContact O-N 2.62Å; Q663-N667 PolarHBondContact O-ND2 3.15Å
664	S	89.2	Confident	89.9	Confident	44 Å²	44	55.3 Å²	55.3	31%	0.308	27%	0.272	S	S	.	.	H	α-helix	trans	-64.4	-47.6	175.7	-171.7	0	0	0	0	111.8	K660 Q661 L662 H666 N667 L668	K660-S664 WeakPolarHBondContact O-CB 3.3Å; K660-S664 PolarHBondContact O-N 2.92Å; Q661-S664 WeakPolarHBondContact O-CB 3.36Å; Q661-S664 PolarHBondContact O-N 2.95Å; L662-S664 VanDerWaalsContact C-N 3.26Å; L662-S664 PolarHBondContact O-N 3.03Å; S664-H666 PolarHBondContact O-N 3.39Å; S664-N667 PolarHBondContact O-N 2.68Å; S664-L668 WeakPolarHBondContact O-CB 3.2Å; S664-L668 PolarHBondContact O-N 2.93Å
665	F	86.5	Confident	89.7	Confident	33 Å²	33	60.6 Å²	60.6	15%	0.145	29%	0.289	C	S	.	.	H	α-helix	trans	-61.1	-41.3	174.1	-74.6	-59.8	0	0	0	112.7	Y518 L521 L522 F525 Q661 L662 L668 R669	Y518-F665 HydrophobicContact CD2-CD1 4.11Å; Y518-F665 AromaticContact CD2-CE1 3.73Å; Y518-F665 HydrophobicContact CD2-CE1 3.73Å; Y518-F665 AromaticContact CE2-CD1 3.76Å; Y518-F665 HydrophobicContact CE2-CD1 3.76Å; Y518-F665 AromaticContact CE2-CE1 3.38Å; Y518-F665 HydrophobicContact CE2-CE1 3.38Å; Y518-F665 HydrophobicContact CE2-CZ 4.23Å; L521-F665 HydrophobicContact CB-CE1 4.45Å; L521-F665 HydrophobicContact CD2-CD1 3.78Å; L521-F665 HydrophobicContact CD2-CE1 3.7Å; L521-F665 HydrophobicContact CD2-CZ 4.39Å; L521-F665 HydrophobicContact CG-CE1 4.11Å; L521-F665 HydrophobicContact CG-CZ 4.44Å; L522-F665 HydrophobicContact CD2-CZ 3.79Å; L522-F665 HydrophobicContact CG-CZ 4.13Å; F525-F665 HydrophobicContact CD2-CD2 4.5Å; F525-F665 AromaticContact CD2-CE2 3.61Å; F525-F665 HydrophobicContact CD2-CE2 3.61Å; F525-F665 AromaticContact CD2-CZ 3.74Å; F525-F665 HydrophobicContact CD2-CZ 3.74Å; F525-F665 AromaticContact CE2-CD2 3.98Å; F525-F665 HydrophobicContact CE2-CD2 3.98Å; F525-F665 HydrophobicContact CE2-CE1 4.38Å; F525-F665 AromaticContact CE2-CE2 3.48Å; F525-F665 HydrophobicContact CE2-CE2 3.48Å; F525-F665 VanDerWaalsContact CE2-CE2 3.48Å; F525-F665 AromaticContact CE2-CZ 3.7Å; F525-F665 HydrophobicContact CE2-CZ 3.7Å; Q661-F665 VanDerWaalsContact O-CD2 3.29Å; Q661-F665 WeakPolarHBondContact O-CD2 3.49Å; Q661-F665 PolarHBondContact O-N 3.33Å; Q661-F665 VanDerWaalsContact O-N 3.13Å; L662-F665 PolarHBondContact O-N 3.19Å; F665-L668 PolarHBondContact O-N 3.13Å; F665-R669 WeakPolarHBondContact O-CG 3.48Å; F665-R669 PolarHBondContact O-N 2.93Å
666	H	91.8	Very high	89.3	Confident	26 Å²	26	61.6 Å²	61.6	12%	0.12	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-47.3	177.5	-70.5	-175.6	0	0	0	111.6	L662 Q663 S664 L668 R669 V670 H822 E825	L662-H666 WeakPolarHBondContact CD1-NE2 3.48Å; L662-H666 PolarHBondContact O-CD2 3.45Å; L662-H666 VanDerWaalsContact O-CG 3.32Å; L662-H666 PolarHBondContact O-N 3.23Å; Q663-H666 PolarHBondContact O-N 3.47Å; S664-H666 PolarHBondContact O-N 3.39Å; H666-L668 VanDerWaalsContact C-N 3.34Å; H666-L668 PolarHBondContact O-N 3.11Å; H666-R669 PolarHBondContact O-N 2.9Å; H666-V670 WeakPolarHBondContact O-CG2 3.33Å; H666-V670 PolarHBondContact O-N 3.3Å; H666-H822 AromaticContact CD2-CD2 3.15Å; H666-H822 PolarHBondContact CD2-CD2 3.48Å; H666-H822 AromaticContact CD2-CE1 3.9Å; H666-H822 AromaticContact CD2-CG 3.6Å; H666-H822 AromaticContact CD2-NE2 3.37Å; H666-H822 PolarHBondContact CD2-NE2 2.93Å; H666-H822 AromaticContact CE1-CD2 3.86Å; H666-H822 AromaticContact CE1-CG 3.74Å; H666-H822 PolarHBondContact CE1-O 3.15Å; H666-H822 AromaticContact CG-CD2 3.64Å; H666-H822 AromaticContact CG-CE1 3.84Å; H666-H822 AromaticContact CG-CG 3.6Å; H666-H822 AromaticContact CG-ND1 3.74Å; H666-H822 AromaticContact CG-NE2 3.79Å; H666-H822 AromaticContact ND1-CG 3.72Å; H666-H822 AromaticContact NE2-CD2 3.3Å; H666-H822 PolarHBondContact NE2-CD2 2.77Å; H666-H822 VanDerWaalsContact NE2-CD2 3.3Å; H666-H822 AromaticContact NE2-CG 3.67Å; H666-H822 PolarHBondContact O-CE1 2.93Å; H666-E825 IonicContact CD2-OE2 2.82Å; H666-E825 PolarHBondContact CD2-OE2 2.9Å; H666-E825 IonicContact CE1-OE2 3.94Å; H666-E825 IonicContact NE2-OE2 2.59Å; H666-E825 PolarHBondContact NE2-OE2 3.09Å
667	N	91.8	Very high	89.1	Confident	100 Å²	100	58.2 Å²	58.2	54%	0.535	28%	0.275	S	S	.	.	H	α-helix	trans	-61.5	-40.2	176.2	-77.2	-43.9	0	0	0	112.4	Q663 S664 V670 Q671	Q663-N667 WeakPolarHBondContact O-CB 3.47Å; Q663-N667 VanDerWaalsContact O-CG 3.28Å; Q663-N667 PolarHBondContact O-N 2.62Å; Q663-N667 PolarHBondContact O-ND2 3.15Å; S664-N667 PolarHBondContact O-N 2.68Å; N667-V670 PolarHBondContact O-N 2.9Å; N667-Q671 WeakPolarHBondContact O-CG 3.46Å; N667-Q671 PolarHBondContact O-N 3.15Å; N667-Q671 VanDerWaalsContact O-N 3.07Å
668	L	86.6	Confident	89.1	Confident	33 Å²	33	60.2 Å²	60.2	17%	0.173	29%	0.292	C	S	.	.	H	α-helix	trans	-62.2	-51.3	176.7	-172.7	63	0	0	0	110.8	L521 S664 F665 H666 V670 Q671 H672	L521-L668 HydrophobicContact CD2-CD2 3.99Å; S664-L668 WeakPolarHBondContact O-CB 3.2Å; S664-L668 PolarHBondContact O-N 2.93Å; F665-L668 PolarHBondContact O-N 3.13Å; H666-L668 VanDerWaalsContact C-N 3.34Å; H666-L668 PolarHBondContact O-N 3.11Å; L668-V670 PolarHBondContact O-N 3.35Å; L668-Q671 WeakPolarHBondContact O-CB 3.31Å; L668-Q671 PolarHBondContact O-N 3.39Å; L668-Q671 VanDerWaalsContact O-N 3.11Å; L668-H672 VanDerWaalsContact CD1-NE2 3.28Å; L668-H672 WeakPolarHBondContact CD1-NE2 3.29Å; L668-H672 PolarHBondContact O-CD2 2.98Å; L668-H672 PolarHBondContact O-N 3.05Å
669	R	87.7	Confident	88.8	Confident	85 Å²	85	61.9 Å²	61.9	32%	0.321	31%	0.306	S	S	.	.	H	α-helix	trans	-57.4	-43.5	176.5	-73.5	172.2	177.6	168.7	-1.5	112.7	F665 H666 Q671 H672 L673 H822 E825	F665-R669 WeakPolarHBondContact O-CG 3.48Å; F665-R669 PolarHBondContact O-N 2.93Å; H666-R669 PolarHBondContact O-N 2.9Å; R669-Q671 VanDerWaalsContact C-N 3.33Å; R669-Q671 PolarHBondContact O-N 3.48Å; R669-H672 PolarHBondContact O-N 2.95Å; R669-L673 WeakPolarHBondContact O-CB 3.41Å; R669-L673 PolarHBondContact O-N 3.14Å; R669-H822 VanDerWaalsContact CD-NE2 3.29Å; R669-H822 WeakPolarHBondContact CD-NE2 3.27Å; R669-H822 PolarHBondContact NH1-CD2 3.17Å; R669-H822 PolarHBondContact NH1-NE2 3.41Å; R669-E825 IonicContact CZ-OE1 3.78Å; R669-E825 IonicContact CZ-OE2 3.96Å; R669-E825 IonicContact NH1-OE1 2.87Å; R669-E825 PolarHBondContact NH1-OE1 3.48Å; R669-E825 IonicContact NH1-OE2 2.75Å; R669-E825 PolarHBondContact NH1-OE2 3.26Å; R669-E825 IonicContact NH2-OE1 2.72Å; R669-E825 PolarHBondContact NH2-OE1 3.09Å; R669-E825 IonicContact NH2-OE2 3.9Å
670	V	91.7	Very high	88.3	Confident	39 Å²	39	61.3 Å²	61.3	24%	0.236	30%	0.302	C	S	.	.	H	α-helix	trans	-58.9	-43.6	175.6	169.5	0	0	0	0	111.2	H666 N667 L668 L673 Q674 M818	H666-V670 WeakPolarHBondContact O-CG2 3.33Å; H666-V670 PolarHBondContact O-N 3.3Å; N667-V670 PolarHBondContact O-N 2.9Å; L668-V670 PolarHBondContact O-N 3.35Å; V670-L673 PolarHBondContact O-N 2.95Å; V670-Q674 HydrophobicContact CG1-CG 4.49Å; V670-Q674 WeakPolarHBondContact O-CB 3.25Å; V670-Q674 VanDerWaalsContact O-CG 3.26Å; V670-Q674 WeakPolarHBondContact O-CG 3.3Å; V670-Q674 PolarHBondContact O-N 3.34Å; V670-M818 HydrophobicContact CG2-CE 3.99Å; V670-M818 HydrophobicContact CG2-SD 3.81Å
671	Q	89.3	Confident	88.2	Confident	92 Å²	92	58.7 Å²	58.7	43%	0.43	29%	0.293	S	S	.	.	H	α-helix	trans	-64.8	-41.9	176.8	-73.2	-172.4	38	0	0	112.7	N667 L668 R669 Q674 R675	N667-Q671 WeakPolarHBondContact O-CG 3.46Å; N667-Q671 PolarHBondContact O-N 3.15Å; N667-Q671 VanDerWaalsContact O-N 3.07Å; L668-Q671 WeakPolarHBondContact O-CB 3.31Å; L668-Q671 PolarHBondContact O-N 3.39Å; L668-Q671 VanDerWaalsContact O-N 3.11Å; R669-Q671 VanDerWaalsContact C-N 3.33Å; R669-Q671 PolarHBondContact O-N 3.48Å; Q671-Q674 PolarHBondContact O-N 3.17Å; Q671-R675 VanDerWaalsContact O-CG 3.28Å; Q671-R675 WeakPolarHBondContact O-CG 3.27Å; Q671-R675 PolarHBondContact O-N 2.96Å
672	H	84	Confident	88.2	Confident	41 Å²	41	63.8 Å²	63.8	19%	0.19	32%	0.317	C	S	.	.	H	α-helix	trans	-65.2	-42.4	177.1	-68.3	-70.3	0	0	0	111.8	L514 E517 L668 R669 Q674 R675 Q676	L514-H672 WeakPolarHBondContact CD1-NE2 3.43Å; E517-H672 IonicContact OE2-CE1 3.89Å; E517-H672 PolarHBondContact OE2-CE1 2.8Å; E517-H672 IonicContact OE2-NE2 3.24Å; L668-H672 VanDerWaalsContact CD1-NE2 3.28Å; L668-H672 WeakPolarHBondContact CD1-NE2 3.29Å; L668-H672 PolarHBondContact O-CD2 2.98Å; L668-H672 PolarHBondContact O-N 3.05Å; R669-H672 PolarHBondContact O-N 2.95Å; H672-Q674 VanDerWaalsContact C-N 3.33Å; H672-Q674 PolarHBondContact O-N 3.1Å; H672-R675 PolarHBondContact O-N 3.36Å; H672-Q676 WeakPolarHBondContact O-CB 3.06Å; H672-Q676 PolarHBondContact O-N 3.04Å
673	L	86.7	Confident	87.8	Confident	19 Å²	19	66.7 Å²	66.7	10%	0.099	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-40.1	175.8	-168.4	71.8	0	0	0	111.8	R669 V670 Q676 H677 Q814 R815 M818	R669-L673 WeakPolarHBondContact O-CB 3.41Å; R669-L673 PolarHBondContact O-N 3.14Å; V670-L673 PolarHBondContact O-N 2.95Å; L673-Q676 PolarHBondContact O-N 2.87Å; L673-H677 WeakPolarHBondContact CD2-NE2 3.39Å; L673-H677 WeakPolarHBondContact O-CB 3.34Å; L673-H677 PolarHBondContact O-N 2.8Å; L673-Q814 HydrophobicContact CD1-CB 4.2Å; L673-Q814 VanDerWaalsContact CD1-OE1 3.28Å; L673-R815 HydrophobicContact CD2-CB 4.22Å; L673-R815 HydrophobicContact CD2-CG 4.47Å; L673-M818 HydrophobicContact CD2-CB 4.24Å; L673-M818 HydrophobicContact CD2-CE 3.8Å; L673-M818 HydrophobicContact CD2-CG 4.29Å
674	Q	91.4	Very high	87.7	Confident	100 Å²	100	63.2 Å²	63.2	47%	0.467	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-43.9	173.4	-73.5	172.4	2.1	0	0	112.5	V670 Q671 H672 S678	V670-Q674 HydrophobicContact CG1-CG 4.49Å; V670-Q674 WeakPolarHBondContact O-CB 3.25Å; V670-Q674 VanDerWaalsContact O-CG 3.26Å; V670-Q674 WeakPolarHBondContact O-CG 3.3Å; V670-Q674 PolarHBondContact O-N 3.34Å; Q671-Q674 PolarHBondContact O-N 3.17Å; H672-Q674 VanDerWaalsContact C-N 3.33Å; H672-Q674 PolarHBondContact O-N 3.1Å; Q674-S678 WeakPolarHBondContact O-CB 3.39Å; Q674-S678 PolarHBondContact O-N 2.85Å; Q674-S678 VanDerWaalsContact O-N 3.08Å
675	R	85.6	Confident	87.7	Confident	130 Å²	130	66.2 Å²	66.2	49%	0.491	33%	0.326	S	S	.	.	H	α-helix	trans	-63.4	-42.9	176.4	-68.4	172.1	-160.2	173.3	10.2	111.2	Q671 H672 S679	Q671-R675 VanDerWaalsContact O-CG 3.28Å; Q671-R675 WeakPolarHBondContact O-CG 3.27Å; Q671-R675 PolarHBondContact O-N 2.96Å; H672-R675 PolarHBondContact O-N 3.36Å; R675-S679 PolarHBondContact O-N 3.28Å; R675-S679 VanDerWaalsContact O-N 3.08Å
676	Q	82.9	Confident	87.8	Confident	85 Å²	85	66.7 Å²	66.7	40%	0.397	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-56.3	175.6	174.2	174.5	-11.5	0	0	111.3	H672 L673 S678 S679 E680	H672-Q676 WeakPolarHBondContact O-CB 3.06Å; H672-Q676 PolarHBondContact O-N 3.04Å; L673-Q676 PolarHBondContact O-N 2.87Å; Q676-S678 PolarHBondContact O-N 3.03Å; Q676-S679 PolarHBondContact O-N 2.85Å; Q676-E680 HydrophobicContact CG-CG 4.26Å; Q676-E680 VanDerWaalsContact CG-OE1 3.28Å; Q676-E680 WeakPolarHBondContact CG-OE1 3.23Å; Q676-E680 PolarHBondContact NE2-OE1 3.02Å; Q676-E680 WeakPolarHBondContact O-CG 3.49Å; Q676-E680 PolarHBondContact O-N 3.11Å
677	H	89	Confident	87.7	Confident	11 Å²	11	69.8 Å²	69.8	5%	0.051	35%	0.347	C	S	.	.	H	α-helix	trans	-57	-37.9	-178.9	-70.6	175.9	0	0	0	112.5	L673 E680 L681 Q811 R815	L673-H677 WeakPolarHBondContact CD2-NE2 3.39Å; L673-H677 WeakPolarHBondContact O-CB 3.34Å; L673-H677 PolarHBondContact O-N 2.8Å; H677-E680 IonicContact CD2-OE2 2.75Å; H677-L681 VanDerWaalsContact O-CB 3.28Å; H677-L681 WeakPolarHBondContact O-CB 3.38Å; H677-L681 PolarHBondContact O-N 3.4Å; H677-Q811 VanDerWaalsContact CA-NE2 3.33Å; H677-Q811 HydrophobicContact CB-CG 4.3Å; H677-Q811 VanDerWaalsContact CD2-CG 3.47Å; H677-Q811 WeakPolarHBondContact CD2-CG 3.38Å; H677-Q811 PolarHBondContact NE2-O 2.78Å; H677-Q811 PolarHBondContact O-NE2 3.35Å; H677-R815 PolarHBondContact CE1-NH2 2.67Å; H677-R815 PolarHBondContact ND1-NH2 2.76Å; H677-R815 WeakPolarHBondContact NE2-CB 3.41Å
678	S	90	Very high	87.6	Confident	74 Å²	74	66 Å²	66	52%	0.517	33%	0.326	S	S	.	.	H	α-helix	trans	-64.5	-44.3	175.4	-172.3	0	0	0	0	112.3	Q674 Q676 L681 Q682	Q674-S678 WeakPolarHBondContact O-CB 3.39Å; Q674-S678 PolarHBondContact O-N 2.85Å; Q674-S678 VanDerWaalsContact O-N 3.08Å; Q676-S678 PolarHBondContact O-N 3.03Å; S678-L681 PolarHBondContact O-N 3.12Å; S678-Q682 WeakPolarHBondContact O-CB 3.28Å; S678-Q682 PolarHBondContact O-N 3.07Å
679	S	82	Confident	87.9	Confident	57 Å²	57	70.7 Å²	70.7	40%	0.399	35%	0.346	S	S	.	.	H	α-helix	trans	-67.5	-43.8	177.9	-173.8	0	0	0	0	112.4	R675 Q676 L681 Q682 N683	R675-S679 PolarHBondContact O-N 3.28Å; R675-S679 VanDerWaalsContact O-N 3.08Å; Q676-S679 PolarHBondContact O-N 2.85Å; S679-L681 PolarHBondContact O-N 3.21Å; S679-Q682 PolarHBondContact O-N 3.45Å; S679-N683 WeakPolarHBondContact O-CB 3.43Å; S679-N683 VanDerWaalsContact O-CG 3.26Å; S679-N683 PolarHBondContact O-N 2.92Å; S679-N683 PolarHBondContact O-ND2 3.47Å; S679-N683 VanDerWaalsContact O-ND2 3.15Å
680	E	83.5	Confident	88.1	Confident	44 Å²	44	72.3 Å²	72.3	21%	0.206	35%	0.352	C	S	.	.	H	α-helix	trans	-57.2	-46.9	173.6	-72	171.7	175.2	0	0	111.6	Q676 H677 N683 Q684 L807 Q811	Q676-E680 HydrophobicContact CG-CG 4.26Å; Q676-E680 VanDerWaalsContact CG-OE1 3.28Å; Q676-E680 WeakPolarHBondContact CG-OE1 3.23Å; Q676-E680 PolarHBondContact NE2-OE1 3.02Å; Q676-E680 WeakPolarHBondContact O-CG 3.49Å; Q676-E680 PolarHBondContact O-N 3.11Å; H677-E680 IonicContact CD2-OE2 2.75Å; E680-N683 PolarHBondContact O-N 3Å; E680-Q684 WeakPolarHBondContact O-CB 3.5Å; E680-Q684 PolarHBondContact O-N 3.39Å; E680-L807 HydrophobicContact CB-CD1 4.34Å; E680-L807 HydrophobicContact CB-CD2 4.5Å; E680-Q811 WeakPolarHBondContact OE2-CG 3.47Å; E680-Q811 PolarHBondContact OE2-NE2 3.41Å
681	L	89.3	Confident	88.1	Confident	57 Å²	57	72 Å²	72	30%	0.298	35%	0.35	S	S	.	.	H	α-helix	trans	-63.9	-43.3	178.8	-177.9	63.6	0	0	0	111.8	H677 S678 S679 N683 Q684 Q685 L804	H677-L681 VanDerWaalsContact O-CB 3.28Å; H677-L681 WeakPolarHBondContact O-CB 3.38Å; H677-L681 PolarHBondContact O-N 3.4Å; S678-L681 PolarHBondContact O-N 3.12Å; S679-L681 PolarHBondContact O-N 3.21Å; L681-N683 VanDerWaalsContact C-N 3.35Å; L681-Q684 PolarHBondContact O-N 2.95Å; L681-Q685 VanDerWaalsContact O-CG 3.3Å; L681-Q685 WeakPolarHBondContact O-CG 3.41Å; L681-Q685 PolarHBondContact O-N 3.27Å; L681-L804 HydrophobicContact CD1-CD1 3.7Å
682	Q	89.5	Confident	88.1	Confident	128 Å²	128	71 Å²	71	60%	0.598	35%	0.345	S	S	*	.	H	α-helix	trans	-62.4	-41.5	175.5	-174.4	179.2	4.7	0	0	111.7	S678 S679 Q685 A686	S678-Q682 WeakPolarHBondContact O-CB 3.28Å; S678-Q682 PolarHBondContact O-N 3.07Å; S679-Q682 PolarHBondContact O-N 3.45Å; Q682-Q685 PolarHBondContact O-N 3.01Å; Q682-A686 WeakPolarHBondContact O-CB 3.47Å; Q682-A686 PolarHBondContact O-N 3.38Å
683	N	83.5	Confident	88.5	Confident	95 Å²	95	71.4 Å²	71.4	51%	0.508	35%	0.349	S	S	.	.	H	α-helix	trans	-66.2	-41.4	176.9	-76	-32.6	0	0	0	112	S679 E680 L681 A686 Y687	S679-N683 WeakPolarHBondContact O-CB 3.43Å; S679-N683 VanDerWaalsContact O-CG 3.26Å; S679-N683 PolarHBondContact O-N 2.92Å; S679-N683 PolarHBondContact O-ND2 3.47Å; S679-N683 VanDerWaalsContact O-ND2 3.15Å; E680-N683 PolarHBondContact O-N 3Å; L681-N683 VanDerWaalsContact C-N 3.35Å; N683-A686 PolarHBondContact O-N 3.03Å; N683-Y687 WeakPolarHBondContact O-CB 3.39Å; N683-Y687 PolarHBondContact O-N 3.48Å
684	Q	89	Confident	88.7	Confident	34 Å²	34	75.8 Å²	75.8	16%	0.159	37%	0.369	C	S	.	.	H	α-helix	trans	-64.2	-43.7	175.4	-175.8	61.5	7	0	0	111.4	E680 L681 A686 Y687 M688 L804 L807	E680-Q684 WeakPolarHBondContact O-CB 3.5Å; E680-Q684 PolarHBondContact O-N 3.39Å; L681-Q684 PolarHBondContact O-N 2.95Å; Q684-A686 VanDerWaalsContact C-N 3.33Å; Q684-A686 PolarHBondContact O-N 3.43Å; Q684-Y687 WeakPolarHBondContact O-CB 3.05Å; Q684-Y687 PolarHBondContact O-N 3.11Å; Q684-Y687 VanDerWaalsContact O-N 3.14Å; Q684-M688 HydrophobicContact CG-CG 4.43Å; Q684-M688 HydrophobicContact CG-SD 4.17Å; Q684-M688 VanDerWaalsContact O-CG 3.26Å; Q684-M688 WeakPolarHBondContact O-CG 3.49Å; Q684-M688 PolarHBondContact O-N 2.98Å; Q684-L804 HydrophobicContact CG-CD1 4.01Å; Q684-L807 HydrophobicContact CB-CD2 3.62Å; Q684-L807 HydrophobicContact CG-CD2 3.92Å
685	Q	91	Very high	88.7	Confident	108 Å²	108	72.1 Å²	72.1	51%	0.505	35%	0.352	S	S	.	.	H	α-helix	trans	-59.6	-42.4	173.5	-71.3	172.6	5.5	0	0	112.1	L681 Q682 Y687 M688 K689	L681-Q685 VanDerWaalsContact O-CG 3.3Å; L681-Q685 WeakPolarHBondContact O-CG 3.41Å; L681-Q685 PolarHBondContact O-N 3.27Å; Q682-Q685 PolarHBondContact O-N 3.01Å; Q685-Y687 VanDerWaalsContact C-N 3.31Å; Q685-Y687 PolarHBondContact O-N 3.07Å; Q685-M688 PolarHBondContact O-N 3.47Å; Q685-K689 WeakPolarHBondContact O-CB 3.42Å; Q685-K689 PolarHBondContact O-N 3.38Å
686	A	88.3	Confident	89	Confident	43 Å²	43	73.3 Å²	73.3	36%	0.355	36%	0.357	S	S	.	.	H	α-helix	trans	-69.4	-25.4	176.4	0	0	0	0	0	113.5	Q682 N683 Q684 R690	Q682-A686 WeakPolarHBondContact O-CB 3.47Å; Q682-A686 PolarHBondContact O-N 3.38Å; N683-A686 PolarHBondContact O-N 3.03Å; Q684-A686 VanDerWaalsContact C-N 3.33Å; Q684-A686 PolarHBondContact O-N 3.43Å; A686-R690 WeakPolarHBondContact O-CG 3.23Å; A686-R690 PolarHBondContact O-N 3.31Å; A686-R690 PolarHBondContact O-NE 3.04Å
687	Y	88.3	Confident	89.4	Confident	90 Å²	90	75.7 Å²	75.7	35%	0.353	37%	0.366	S	S	.	.	H	α-helix	trans	-76	-51.3	170.3	166.7	-106.3	0	0	0	111.6	N683 Q684 Q685 K689 R690 V691 L800 E803	N683-Y687 WeakPolarHBondContact O-CB 3.39Å; N683-Y687 PolarHBondContact O-N 3.48Å; Q684-Y687 WeakPolarHBondContact O-CB 3.05Å; Q684-Y687 PolarHBondContact O-N 3.11Å; Q684-Y687 VanDerWaalsContact O-N 3.14Å; Q685-Y687 VanDerWaalsContact C-N 3.31Å; Q685-Y687 PolarHBondContact O-N 3.07Å; Y687-K689 PolarHBondContact O-N 3.38Å; Y687-R690 WeakPolarHBondContact O-CB 3.45Å; Y687-R690 PolarHBondContact O-N 3.04Å; Y687-V691 HydrophobicContact CD2-CG2 4.04Å; Y687-V691 HydrophobicContact CE1-CG2 4.2Å; Y687-V691 HydrophobicContact CE2-CG2 3.52Å; Y687-V691 PolarHBondContact O-N 3.08Å; Y687-L800 HydrophobicContact CD1-CD2 4.47Å; Y687-L800 HydrophobicContact CE1-CD2 3.92Å; Y687-E803 WeakPolarHBondContact CE1-OE2 3.42Å
688	M	91.3	Very high	89.5	Confident	20 Å²	20	79.3 Å²	79.3	10%	0.099	38%	0.381	C	S	.	.	H	α-helix	trans	-52.5	-43.3	177.1	-67.5	168.9	79.9	0	0	111.7	Q684 Q685 V691 Q692 L800 L804	Q684-M688 HydrophobicContact CG-CG 4.43Å; Q684-M688 HydrophobicContact CG-SD 4.17Å; Q684-M688 VanDerWaalsContact O-CG 3.26Å; Q684-M688 WeakPolarHBondContact O-CG 3.49Å; Q684-M688 PolarHBondContact O-N 2.98Å; Q685-M688 PolarHBondContact O-N 3.47Å; M688-V691 PolarHBondContact O-N 3.03Å; M688-Q692 WeakPolarHBondContact O-CG 3.37Å; M688-Q692 PolarHBondContact O-N 3.44Å; M688-Q692 VanDerWaalsContact O-N 3.11Å; M688-L800 HydrophobicContact CB-CD1 4.42Å; M688-L800 HydrophobicContact CB-CD2 4.45Å; M688-L800 HydrophobicContact CE-CB 4.08Å; M688-L800 HydrophobicContact CG-CB 4.24Å; M688-L800 HydrophobicContact CG-CD2 4.1Å; M688-L804 HydrophobicContact CE-CB 4.32Å; M688-L804 HydrophobicContact CE-CD2 4.06Å; M688-L804 HydrophobicContact SD-CB 4.19Å; M688-L804 HydrophobicContact SD-CD2 4.11Å
689	K	92.5	Very high	89.6	Confident	133 Å²	133	77 Å²	77	58%	0.578	36%	0.362	S	S	*	.	H	α-helix	trans	-62.5	-44.5	175.8	-175.2	176.6	178.5	-179.1	0	112.7	Q685 Y687 Q692 D693	Q685-K689 WeakPolarHBondContact O-CB 3.42Å; Q685-K689 PolarHBondContact O-N 3.38Å; Y687-K689 PolarHBondContact O-N 3.38Å; K689-Q692 PolarHBondContact O-N 3.05Å; K689-D693 PolarHBondContact O-N 2.88Å
690	R	92	Very high	90	Very high	119 Å²	119	76.8 Å²	76.8	45%	0.449	36%	0.364	S	S	.	.	H	α-helix	trans	-60.9	-45.8	178.1	-81.5	179.2	-75.2	166.2	-3.4	111.7	A686 Y687 Q692 D693 E694	A686-R690 WeakPolarHBondContact O-CG 3.23Å; A686-R690 PolarHBondContact O-N 3.31Å; A686-R690 PolarHBondContact O-NE 3.04Å; Y687-R690 WeakPolarHBondContact O-CB 3.45Å; Y687-R690 PolarHBondContact O-N 3.04Å; R690-Q692 VanDerWaalsContact C-N 3.34Å; R690-Q692 PolarHBondContact O-N 2.9Å; R690-D693 PolarHBondContact O-N 3Å; R690-E694 WeakPolarHBondContact O-CB 3.35Å; R690-E694 WeakPolarHBondContact O-CG 3.28Å; R690-E694 PolarHBondContact O-N 3.22Å
691	V	90.2	Very high	90.3	Very high	33 Å²	33	80 Å²	80	20%	0.2	38%	0.38	C	S	.	.	H	α-helix	trans	-61.3	-42.1	177.7	177.4	0	0	0	0	111.4	Y687 M688 E694 L695 T796 L800	Y687-V691 HydrophobicContact CD2-CG2 4.04Å; Y687-V691 HydrophobicContact CE1-CG2 4.2Å; Y687-V691 HydrophobicContact CE2-CG2 3.52Å; Y687-V691 PolarHBondContact O-N 3.08Å; M688-V691 PolarHBondContact O-N 3.03Å; V691-E694 PolarHBondContact O-N 3.29Å; V691-L695 WeakPolarHBondContact O-CB 3.44Å; V691-L695 PolarHBondContact O-N 3.28Å; V691-T796 HydrophobicContact CG1-CG2 3.85Å; V691-L800 HydrophobicContact CB-CD1 4.18Å; V691-L800 HydrophobicContact CB-CD2 4.25Å; V691-L800 HydrophobicContact CG1-CD1 4.07Å; V691-L800 HydrophobicContact CG1-CD2 4.28Å; V691-L800 HydrophobicContact CG2-CD2 4.35Å
692	Q	91	Very high	90.2	Very high	69 Å²	69	79.8 Å²	79.8	32%	0.322	38%	0.378	S	S	.	.	H	α-helix	trans	-64.4	-41.3	175.5	-70.9	174.1	10.8	0	0	112.6	M688 K689 R690 L695 R696 L800	M688-Q692 WeakPolarHBondContact O-CG 3.37Å; M688-Q692 PolarHBondContact O-N 3.44Å; M688-Q692 VanDerWaalsContact O-N 3.11Å; K689-Q692 PolarHBondContact O-N 3.05Å; R690-Q692 VanDerWaalsContact C-N 3.34Å; R690-Q692 PolarHBondContact O-N 2.9Å; Q692-L695 PolarHBondContact O-N 2.95Å; Q692-R696 WeakPolarHBondContact O-CD 3.5Å; Q692-R696 VanDerWaalsContact O-CG 3.27Å; Q692-R696 WeakPolarHBondContact O-CG 3.45Å; Q692-R696 PolarHBondContact O-N 3.45Å; Q692-L800 HydrophobicContact CG-CD1 3.98Å
693	D	92	Very high	90.1	Very high	51 Å²	51	77 Å²	77	27%	0.273	37%	0.37	S	S	.	.	H	α-helix	trans	-73.5	-26.9	178.6	-72.3	-25.6	0	0	0	113	K689 R690 R696 K697	K689-D693 PolarHBondContact O-N 2.88Å; R690-D693 PolarHBondContact O-N 3Å; D693-R696 IonicContact OD1-CZ 3.66Å; D693-R696 IonicContact OD1-NH1 2.69Å; D693-R696 PolarHBondContact OD1-NH1 3.3Å; D693-K697 WeakPolarHBondContact O-CD 3.4Å; D693-K697 VanDerWaalsContact O-CG 3.23Å; D693-K697 WeakPolarHBondContact O-CG 3.47Å; D693-K697 PolarHBondContact O-N 3.02Å
694	E	90.8	Very high	90.2	Very high	111 Å²	111	80.3 Å²	80.3	52%	0.519	38%	0.379	S	S	.	.	H	α-helix	trans	-72.1	-41.8	168.9	-76.3	176.1	-170.1	0	0	112.2	R690 V691 R696 K697 K698	R690-E694 WeakPolarHBondContact O-CB 3.35Å; R690-E694 WeakPolarHBondContact O-CG 3.28Å; R690-E694 PolarHBondContact O-N 3.22Å; V691-E694 PolarHBondContact O-N 3.29Å; E694-R696 PolarHBondContact O-N 3.02Å; E694-K697 WeakPolarHBondContact O-CB 3.28Å; E694-K697 PolarHBondContact O-N 2.85Å; E694-K698 PolarHBondContact O-N 2.89Å
695	L	91.3	Very high	89.9	Confident	23 Å²	23	83.2 Å²	83.2	12%	0.12	39%	0.393	C	S	.	.	H	α-helix	trans	-61.5	-44.6	175.3	-173	63.8	0	0	0	111.7	V691 Q692 K697 K698 H699 E792 A793 T796	V691-L695 WeakPolarHBondContact O-CB 3.44Å; V691-L695 PolarHBondContact O-N 3.28Å; Q692-L695 PolarHBondContact O-N 2.95Å; L695-K697 VanDerWaalsContact C-N 3.31Å; L695-K697 PolarHBondContact O-N 3.41Å; L695-K698 HydrophobicContact CD1-CD 4.19Å; L695-K698 WeakPolarHBondContact O-CB 3.47Å; L695-K698 PolarHBondContact O-N 3.38Å; L695-K698 VanDerWaalsContact O-N 3.1Å; L695-H699 WeakPolarHBondContact CD1-NE2 3.4Å; L695-H699 PolarHBondContact O-N 2.95Å; L695-E792 HydrophobicContact CD1-CG 4.01Å; L695-E792 WeakPolarHBondContact CD1-OE2 3.49Å; L695-A793 HydrophobicContact CD2-CB 4.19Å; L695-T796 HydrophobicContact CD2-CG2 4.08Å
696	R	91.1	Very high	89.4	Confident	155 Å²	155	79.5 Å²	79.5	59%	0.585	38%	0.376	S	S	*	.	H	α-helix	trans	-55.4	-43.1	172.9	-74.2	164.8	172.8	158.9	-1	112.4	Q692 D693 E694 A700	Q692-R696 WeakPolarHBondContact O-CD 3.5Å; Q692-R696 VanDerWaalsContact O-CG 3.27Å; Q692-R696 WeakPolarHBondContact O-CG 3.45Å; Q692-R696 PolarHBondContact O-N 3.45Å; D693-R696 IonicContact OD1-CZ 3.66Å; D693-R696 IonicContact OD1-NH1 2.69Å; D693-R696 PolarHBondContact OD1-NH1 3.3Å; E694-R696 PolarHBondContact O-N 3.02Å; R696-A700 WeakPolarHBondContact O-CB 3.26Å; R696-A700 PolarHBondContact O-N 3.31Å
697	K	92.3	Very high	89	Confident	135 Å²	135	81.2 Å²	81.2	59%	0.587	38%	0.383	S	S	*	.	H	α-helix	trans	-64.7	-40.8	176	-70	162.9	-168.3	168.2	0	111.8	D693 E694 L695 M701	D693-K697 WeakPolarHBondContact O-CD 3.4Å; D693-K697 VanDerWaalsContact O-CG 3.23Å; D693-K697 WeakPolarHBondContact O-CG 3.47Å; D693-K697 PolarHBondContact O-N 3.02Å; E694-K697 WeakPolarHBondContact O-CB 3.28Å; E694-K697 PolarHBondContact O-N 2.85Å; L695-K697 VanDerWaalsContact C-N 3.31Å; L695-K697 PolarHBondContact O-N 3.41Å; K697-M701 WeakPolarHBondContact O-CB 3.46Å; K697-M701 VanDerWaalsContact O-CG 3.26Å; K697-M701 WeakPolarHBondContact O-CG 3.47Å; K697-M701 PolarHBondContact O-N 3.08Å
698	K	90.8	Very high	88.7	Confident	87 Å²	87	84.4 Å²	84.4	38%	0.378	40%	0.399	S	S	.	.	H	α-helix	trans	-62.1	-48	176.1	-178.5	-166	175.8	-168.2	0	111.5	E694 L695 M701 Q702 E792	E694-K698 PolarHBondContact O-N 2.89Å; L695-K698 HydrophobicContact CD1-CD 4.19Å; L695-K698 WeakPolarHBondContact O-CB 3.47Å; L695-K698 PolarHBondContact O-N 3.38Å; L695-K698 VanDerWaalsContact O-N 3.1Å; K698-M701 WeakPolarHBondContact O-CB 3.36Å; K698-M701 PolarHBondContact O-N 2.85Å; K698-M701 VanDerWaalsContact O-N 3.16Å; K698-Q702 PolarHBondContact O-N 3.06Å; K698-E792 IonicContact NZ-OE1 3.59Å; K698-E792 PolarHBondContact NZ-OE1 2.78Å; K698-E792 IonicContact NZ-OE2 2.87Å; K698-E792 PolarHBondContact NZ-OE2 3.4Å
699	H	92.1	Very high	88.2	Confident	24 Å²	24	88.3 Å²	88.3	11%	0.111	42%	0.417	C	S	.	.	H	α-helix	trans	-62.8	-45.3	178.9	-67.6	171	0	0	0	111.8	L695 M701 Q702 V703 Q789 E792	L695-H699 WeakPolarHBondContact CD1-NE2 3.4Å; L695-H699 PolarHBondContact O-N 2.95Å; H699-M701 VanDerWaalsContact C-N 3.27Å; H699-M701 PolarHBondContact O-N 2.89Å; H699-Q702 PolarHBondContact CD2-OE1 3.47Å; H699-Q702 PolarHBondContact O-N 3.31Å; H699-Q702 VanDerWaalsContact O-N 3.16Å; H699-V703 WeakPolarHBondContact O-CG2 3.48Å; H699-V703 PolarHBondContact O-N 3.1Å; H699-Q789 HydrophobicContact CB-CG 4.25Å; H699-Q789 PolarHBondContact CE1-O 3.01Å; H699-Q789 VanDerWaalsContact CE1-O 3.23Å; H699-Q789 PolarHBondContact O-NE2 3.2Å; H699-Q789 VanDerWaalsContact O-NE2 3.17Å; H699-E792 IonicContact CD2-OE2 3.16Å; H699-E792 IonicContact CE1-OE2 2.71Å; H699-E792 IonicContact NE2-OE2 3.96Å; H699-E792 PolarHBondContact NE2-OE2 3.01Å
700	A	90.4	Very high	87.7	Confident	54 Å²	54	82.9 Å²	82.9	45%	0.446	39%	0.394	S	S	.	.	H	α-helix	trans	-62.6	-30.2	173.9	0	0	0	0	0	113.5	R696 K704	R696-A700 WeakPolarHBondContact O-CB 3.26Å; R696-A700 PolarHBondContact O-N 3.31Å; A700-K704 WeakPolarHBondContact O-CG 3.49Å; A700-K704 PolarHBondContact O-N 3.47Å
701	M	89.6	Confident	87.3	Confident	110 Å²	110	84.2 Å²	84.2	54%	0.542	40%	0.403	S	S	.	.	H	α-helix	trans	-71.8	-38.5	173.2	-81.4	-81.3	-78.3	0	0	112.6	K697 K698 H699 K704 Q705	K697-M701 WeakPolarHBondContact O-CB 3.46Å; K697-M701 VanDerWaalsContact O-CG 3.26Å; K697-M701 WeakPolarHBondContact O-CG 3.47Å; K697-M701 PolarHBondContact O-N 3.08Å; K698-M701 WeakPolarHBondContact O-CB 3.36Å; K698-M701 PolarHBondContact O-N 2.85Å; K698-M701 VanDerWaalsContact O-N 3.16Å; H699-M701 VanDerWaalsContact C-N 3.27Å; H699-M701 PolarHBondContact O-N 2.89Å; M701-K704 PolarHBondContact O-N 3.28Å; M701-Q705 WeakPolarHBondContact O-CG 3.47Å; M701-Q705 PolarHBondContact O-N 3.42Å
702	Q	87.2	Confident	87.1	Confident	53 Å²	53	89.4 Å²	89.4	25%	0.248	43%	0.425	C	S	.	.	H	α-helix	trans	-66	-47.4	176.2	-72.2	171.2	-43.2	0	0	111.6	K698 H699 K704 Q705 Q706 L785	K698-Q702 PolarHBondContact O-N 3.06Å; H699-Q702 PolarHBondContact CD2-OE1 3.47Å; H699-Q702 PolarHBondContact O-N 3.31Å; H699-Q702 VanDerWaalsContact O-N 3.16Å; Q702-K704 PolarHBondContact O-N 3.04Å; Q702-Q705 PolarHBondContact O-N 2.94Å; Q702-Q706 PolarHBondContact O-N 3Å; Q702-L785 HydrophobicContact CB-CD1 4.3Å; Q702-L785 HydrophobicContact CB-CD2 4.47Å
703	V	87.3	Confident	86.6	Confident	71 Å²	71	89.9 Å²	89.9	43%	0.43	43%	0.426	S	S	.	.	H	α-helix	trans	-59	-35.2	176.7	175.5	0	0	0	0	111.4	H699 Q705 P707 L785	H699-V703 WeakPolarHBondContact O-CG2 3.48Å; H699-V703 PolarHBondContact O-N 3.1Å; V703-Q705 VanDerWaalsContact C-N 3.31Å; V703-Q705 PolarHBondContact O-N 2.8Å; V703-P707 VanDerWaalsContact O-CD 3.27Å; V703-P707 WeakPolarHBondContact O-CD 3.36Å; V703-L785 HydrophobicContact CG2-CD2 4.19Å
704	K	86.4	Confident	86.4	Confident	163 Å²	163	89.8 Å²	89.8	71%	0.709	42%	0.424	S	S	*	.	H	α-helix	trans	-70.3	-19.9	173.3	-77.3	178.2	178.8	-178	0	114.8	A700 M701 Q702	A700-K704 WeakPolarHBondContact O-CG 3.49Å; A700-K704 PolarHBondContact O-N 3.47Å; M701-K704 PolarHBondContact O-N 3.28Å; Q702-K704 PolarHBondContact O-N 3.04Å
705	Q	82.4	Confident	86.3	Confident	96 Å²	96	88.8 Å²	88.8	45%	0.449	42%	0.422	S	S	.	.	H	α-helix	trans	-96.6	-33.6	179.5	-71.2	-177.2	52.1	0	0	112.8	M701 Q702 V703 P707 K708	M701-Q705 WeakPolarHBondContact O-CG 3.47Å; M701-Q705 PolarHBondContact O-N 3.42Å; Q702-Q705 PolarHBondContact O-N 2.94Å; V703-Q705 VanDerWaalsContact C-N 3.31Å; V703-Q705 PolarHBondContact O-N 2.8Å; Q705-P707 VanDerWaalsContact C-CD 3.47Å; Q705-P707 VanDerWaalsContact O-N 3.15Å; Q705-K708 WeakPolarHBondContact O-CB 3.31Å; Q705-K708 PolarHBondContact O-N 3.45Å
706	Q	79.9	Confident	86.1	Confident	30 Å²	30	93.2 Å²	93.2	14%	0.14	44%	0.442	C	S	.	.	H	α-helix	trans	-44.9	-45.5	-178.4	178	-169.4	49.4	0	0	114.4	Q702 K708 E709 L710 Q781 L785	Q702-Q706 PolarHBondContact O-N 3Å; Q706-K708 PolarHBondContact O-N 2.85Å; Q706-K708 VanDerWaalsContact O-N 3.09Å; Q706-E709 PolarHBondContact O-N 3.42Å; Q706-E709 VanDerWaalsContact O-N 3.11Å; Q706-L710 HydrophobicContact CG-CD1 3.79Å; Q706-L710 HydrophobicContact CG-CG 3.99Å; Q706-L710 WeakPolarHBondContact O-CG 3.47Å; Q706-L710 PolarHBondContact O-N 2.99Å; Q706-Q781 PolarHBondContact NE2-O 3.31Å; Q706-L785 HydrophobicContact CB-CD2 4.1Å; Q706-L785 HydrophobicContact CG-CD2 4.2Å
707	P	81.1	Confident	85.9	Confident	78 Å²	78	86.9 Å²	86.9	51%	0.506	42%	0.419	S	S	.	.	H	α-helix	trans	-58.6	-25.6	178.1	-26.7	35.7	0	0	0	115	V703 Q705 K711	V703-P707 VanDerWaalsContact O-CD 3.27Å; V703-P707 WeakPolarHBondContact O-CD 3.36Å; Q705-P707 VanDerWaalsContact C-CD 3.47Å; Q705-P707 VanDerWaalsContact O-N 3.15Å; P707-K711 VanDerWaalsContact O-CB 3.25Å; P707-K711 WeakPolarHBondContact O-CB 3.44Å; P707-K711 PolarHBondContact O-N 2.91Å
708	K	81.2	Confident	85.7	Confident	157 Å²	157	84.8 Å²	84.8	68%	0.683	41%	0.408	S	S	*	.	H	α-helix	trans	-73.8	-44.9	176.4	-60.6	-178.6	179	-179.8	0	111.2	Q705 Q706 K711 Q712	Q705-K708 WeakPolarHBondContact O-CB 3.31Å; Q705-K708 PolarHBondContact O-N 3.45Å; Q706-K708 PolarHBondContact O-N 2.85Å; Q706-K708 VanDerWaalsContact O-N 3.09Å; K708-K711 PolarHBondContact O-N 3.19Å; K708-Q712 PolarHBondContact O-N 2.96Å; K708-Q712 VanDerWaalsContact O-N 3.09Å
709	E	79.9	Confident	85.7	Confident	102 Å²	102	88.4 Å²	88.4	48%	0.477	42%	0.419	S	S	.	.	H	α-helix	trans	-67.1	-43.1	178	-62.8	-172.2	-165.9	0	0	112	Q706 K711 Q712 K713	Q706-E709 PolarHBondContact O-N 3.42Å; Q706-E709 VanDerWaalsContact O-N 3.11Å; E709-K711 VanDerWaalsContact C-N 3.34Å; E709-K711 PolarHBondContact O-N 3.37Å; E709-Q712 WeakPolarHBondContact O-CB 3.48Å; E709-Q712 PolarHBondContact O-N 2.79Å; E709-K713 PolarHBondContact O-N 2.85Å
710	L	82.6	Confident	85.5	Confident	20 Å²	20	91.6 Å²	91.6	11%	0.105	43%	0.434	C	S	.	.	H	α-helix	trans	-58.3	-46.9	175.8	-69.4	-175.8	0	0	0	110.9	Q706 Q712 K713 E714 L778 Q781	Q706-L710 HydrophobicContact CG-CD1 3.79Å; Q706-L710 HydrophobicContact CG-CG 3.99Å; Q706-L710 WeakPolarHBondContact O-CG 3.47Å; Q706-L710 PolarHBondContact O-N 2.99Å; L710-Q712 VanDerWaalsContact C-N 3.29Å; L710-Q712 PolarHBondContact O-N 2.51Å; L710-K713 PolarHBondContact O-N 2.9Å; L710-E714 WeakPolarHBondContact O-CB 3.46Å; L710-E714 PolarHBondContact O-N 3.1Å; L710-L778 HydrophobicContact CB-CD2 3.67Å; L710-L778 HydrophobicContact CD1-CD2 4.01Å; L710-L778 HydrophobicContact CD2-CD2 4.09Å; L710-L778 HydrophobicContact CG-CD2 4.12Å; L710-Q781 HydrophobicContact CD2-CB 3.65Å; L710-Q781 HydrophobicContact CD2-CG 4.34Å
711	K	84	Confident	85.5	Confident	146 Å²	146	91.4 Å²	91.4	64%	0.635	42%	0.423	S	S	*	.	H	α-helix	trans	-64.5	-29.7	176.9	-168.3	166.9	-170.9	166.9	0	113.5	P707 K708 E709 L715	P707-K711 VanDerWaalsContact O-CB 3.25Å; P707-K711 WeakPolarHBondContact O-CB 3.44Å; P707-K711 PolarHBondContact O-N 2.91Å; K708-K711 PolarHBondContact O-N 3.19Å; E709-K711 VanDerWaalsContact C-N 3.34Å; E709-K711 PolarHBondContact O-N 3.37Å; K711-L715 WeakPolarHBondContact O-CB 3.5Å; K711-L715 PolarHBondContact O-N 3.18Å
712	Q	85.2	Confident	85.4	Confident	143 Å²	143	92.5 Å²	92.5	67%	0.668	42%	0.421	S	S	*	.	H	α-helix	trans	-70.8	-40.4	173.5	-173	173.2	-5.2	0	0	111.8	K708 E709 L710 L715 Q716	K708-Q712 PolarHBondContact O-N 2.96Å; K708-Q712 VanDerWaalsContact O-N 3.09Å; E709-Q712 WeakPolarHBondContact O-CB 3.48Å; E709-Q712 PolarHBondContact O-N 2.79Å; L710-Q712 VanDerWaalsContact C-N 3.29Å; L710-Q712 PolarHBondContact O-N 2.51Å; Q712-L715 PolarHBondContact O-N 2.54Å; Q712-Q716 PolarHBondContact O-N 3.47Å; Q712-Q716 VanDerWaalsContact O-N 3.14Å
713	K	82.1	Confident	85.6	Confident	78 Å²	78	96.2 Å²	96.2	34%	0.339	44%	0.439	S	S	.	.	H	α-helix	trans	-69.2	-42	175.4	-70.5	166.8	-179.4	158.9	0	111.7	E709 L710 L715 Q716 I717	E709-K713 PolarHBondContact O-N 2.85Å; L710-K713 PolarHBondContact O-N 2.9Å; K713-L715 VanDerWaalsContact C-N 3.33Å; K713-L715 PolarHBondContact O-N 2.94Å; K713-Q716 WeakPolarHBondContact O-CB 3.4Å; K713-Q716 PolarHBondContact O-N 3.39Å; K713-Q716 VanDerWaalsContact O-N 3.1Å; K713-I717 WeakPolarHBondContact O-CG1 3.29Å; K713-I717 PolarHBondContact O-N 3.39Å
714	E	87.2	Confident	85.6	Confident	50 Å²	50	94.1 Å²	94.1	23%	0.234	43%	0.429	C	S	.	.	H	α-helix	trans	-54.3	-48.2	170.4	-170.5	-153.3	164.2	0	0	111.1	L710 Q716 I717 R718 I774	L710-E714 WeakPolarHBondContact O-CB 3.46Å; L710-E714 PolarHBondContact O-N 3.1Å; E714-Q716 VanDerWaalsContact C-N 3.26Å; E714-Q716 PolarHBondContact O-N 2.94Å; E714-I717 PolarHBondContact O-N 2.95Å; E714-R718 WeakPolarHBondContact O-CB 3.39Å; E714-R718 WeakPolarHBondContact O-CG 3.43Å; E714-R718 PolarHBondContact O-N 3.16Å; E714-R718 IonicContact OE1-CZ 3.17Å; E714-R718 VanDerWaalsContact OE1-CZ 3.24Å; E714-R718 IonicContact OE1-NE 2.81Å; E714-R718 PolarHBondContact OE1-NE 3.14Å; E714-R718 IonicContact OE1-NH2 2.67Å; E714-R718 PolarHBondContact OE1-NH2 3.45Å; E714-I774 HydrophobicContact CG-CD1 4.06Å; E714-I774 HydrophobicContact CG-CG1 4.39Å; E714-I774 HydrophobicContact CG-CG2 4.01Å
715	L	88.1	Confident	85.7	Confident	89 Å²	89	88.1 Å²	88.1	47%	0.466	41%	0.405	S	S	.	.	H	α-helix	trans	-62.9	-31.2	178.6	-175.7	63.5	0	0	0	112.8	K711 Q712 K713 R719	K711-L715 WeakPolarHBondContact O-CB 3.5Å; K711-L715 PolarHBondContact O-N 3.18Å; Q712-L715 PolarHBondContact O-N 2.54Å; K713-L715 VanDerWaalsContact C-N 3.33Å; K713-L715 PolarHBondContact O-N 2.94Å; L715-R719 WeakPolarHBondContact O-CG 3.35Å; L715-R719 PolarHBondContact O-N 2.96Å
716	Q	87.8	Confident	86.1	Confident	117 Å²	117	90.4 Å²	90.4	55%	0.547	41%	0.414	S	S	.	.	H	α-helix	trans	-70.6	-45.9	174.1	-179	172.8	-14	0	0	111.7	Q712 K713 E714 R719 Q720	Q712-Q716 PolarHBondContact O-N 3.47Å; Q712-Q716 VanDerWaalsContact O-N 3.14Å; K713-Q716 WeakPolarHBondContact O-CB 3.4Å; K713-Q716 PolarHBondContact O-N 3.39Å; K713-Q716 VanDerWaalsContact O-N 3.1Å; E714-Q716 VanDerWaalsContact C-N 3.26Å; E714-Q716 PolarHBondContact O-N 2.94Å; Q716-R719 WeakPolarHBondContact O-CA 3.36Å; Q716-R719 WeakPolarHBondContact O-CB 3.17Å; Q716-R719 PolarHBondContact O-N 3.1Å; Q716-Q720 PolarHBondContact O-N 3.02Å
717	I	86.8	Confident	86.5	Confident	21 Å²	21	92.5 Å²	92.5	11%	0.108	43%	0.429	C	S	.	.	H	α-helix	trans	-62.5	-45.1	175.2	-62.6	165.4	0	0	0	110.1	K713 E714 R719 Q720 F721 Y770 I774 V777	K713-I717 WeakPolarHBondContact O-CG1 3.29Å; K713-I717 PolarHBondContact O-N 3.39Å; E714-I717 PolarHBondContact O-N 2.95Å; I717-R719 PolarHBondContact O-N 2.88Å; I717-Q720 PolarHBondContact O-N 3.06Å; I717-Q720 VanDerWaalsContact O-N 3.08Å; I717-F721 PolarHBondContact O-N 3.36Å; I717-Y770 HydrophobicContact CG2-CD1 3.68Å; I717-Y770 HydrophobicContact CG2-CE1 4.31Å; I717-I774 HydrophobicContact CB-CD1 4.42Å; I717-I774 HydrophobicContact CB-CG1 4.03Å; I717-I774 HydrophobicContact CD1-CG1 4.07Å; I717-I774 HydrophobicContact CG2-CD1 4.08Å; I717-I774 HydrophobicContact CG2-CG1 3.71Å; I717-V777 HydrophobicContact CD1-CB 4.2Å; I717-V777 HydrophobicContact CD1-CG1 4.04Å; I717-V777 HydrophobicContact CD1-CG2 4.21Å
718	R	88.2	Confident	86.6	Confident	91 Å²	91	91.1 Å²	91.1	34%	0.343	42%	0.416	S	S	.	.	H	α-helix	trans	-65.2	-15.4	172.3	-65.7	-165.2	-166.5	-90.9	7.3	113.7	E714 R722 E771 I774	E714-R718 WeakPolarHBondContact O-CB 3.39Å; E714-R718 WeakPolarHBondContact O-CG 3.43Å; E714-R718 PolarHBondContact O-N 3.16Å; E714-R718 IonicContact OE1-CZ 3.17Å; E714-R718 VanDerWaalsContact OE1-CZ 3.24Å; E714-R718 IonicContact OE1-NE 2.81Å; E714-R718 PolarHBondContact OE1-NE 3.14Å; E714-R718 IonicContact OE1-NH2 2.67Å; E714-R718 PolarHBondContact OE1-NH2 3.45Å; R718-R722 WeakPolarHBondContact O-CG 3.34Å; R718-R722 PolarHBondContact O-NE 3.15Å; R718-R722 PolarHBondContact O-NH2 3.47Å; R718-E771 IonicContact CZ-OE1 2.73Å; R718-E771 IonicContact NH1-OE1 2.88Å; R718-E771 PolarHBondContact NH1-OE1 3.03Å; R718-E771 IonicContact NH2-OE1 2.73Å; R718-I774 HydrophobicContact CG-CD1 3.77Å
719	R	90.4	Very high	86.9	Confident	164 Å²	164	85.6 Å²	85.6	62%	0.619	40%	0.395	S	S	*	.	H	α-helix	trans	-80.8	-43.6	167.9	-84.7	176.8	174.2	-173.2	-0.2	111.1	L715 Q716 I717 R722 Q723	L715-R719 WeakPolarHBondContact O-CG 3.35Å; L715-R719 PolarHBondContact O-N 2.96Å; Q716-R719 WeakPolarHBondContact O-CA 3.36Å; Q716-R719 WeakPolarHBondContact O-CB 3.17Å; Q716-R719 PolarHBondContact O-N 3.1Å; I717-R719 PolarHBondContact O-N 2.88Å; R719-R722 PolarHBondContact O-N 3.2Å; R719-Q723 PolarHBondContact O-N 3.02Å; R719-Q723 VanDerWaalsContact O-N 3.09Å
720	Q	88.4	Confident	87.2	Confident	90 Å²	90	89.9 Å²	89.9	42%	0.421	41%	0.407	S	S	.	.	H	α-helix	trans	-60.9	-45.3	175.4	-70.9	169	-44.2	0	0	111.3	Q716 I717 R722 Q723 A724 Y770	Q716-Q720 PolarHBondContact O-N 3.02Å; I717-Q720 PolarHBondContact O-N 3.06Å; I717-Q720 VanDerWaalsContact O-N 3.08Å; Q720-R722 PolarHBondContact O-N 3.35Å; Q720-Q723 WeakPolarHBondContact O-CA 3.34Å; Q720-Q723 WeakPolarHBondContact O-CB 3.39Å; Q720-Q723 PolarHBondContact O-N 3.46Å; Q720-A724 PolarHBondContact O-N 3.34Å; Q720-Y770 HydrophobicContact CB-CE1 4.09Å
721	F	89.5	Confident	87.3	Confident	51 Å²	51	94.1 Å²	94.1	22%	0.224	43%	0.427	C	S	.	.	H	α-helix	trans	-51.5	-52.1	172.3	178.4	-115.8	0	0	0	111.8	I717 Q723 A724 V725 L766 A767 Y770	I717-F721 PolarHBondContact O-N 3.36Å; F721-Q723 PolarHBondContact O-N 3.3Å; F721-A724 PolarHBondContact O-N 3.03Å; F721-A724 VanDerWaalsContact O-N 3.11Å; F721-V725 HydrophobicContact CD1-CG2 4.25Å; F721-V725 HydrophobicContact CD2-CG2 3.99Å; F721-V725 HydrophobicContact CE1-CG2 3.87Å; F721-V725 HydrophobicContact CE2-CG2 3.55Å; F721-V725 HydrophobicContact CG-CG2 4.31Å; F721-V725 HydrophobicContact CZ-CG2 3.49Å; F721-V725 VanDerWaalsContact CZ-CG2 3.49Å; F721-V725 VanDerWaalsContact O-CG2 3.29Å; F721-V725 WeakPolarHBondContact O-CG2 3.44Å; F721-V725 PolarHBondContact O-N 3.37Å; F721-L766 HydrophobicContact CD2-CG 4.31Å; F721-L766 HydrophobicContact CE2-CB 4.39Å; F721-L766 HydrophobicContact CE2-CD2 4.27Å; F721-L766 HydrophobicContact CE2-CG 4.05Å; F721-L766 WeakPolarHBondContact CE2-O 3.48Å; F721-A767 HydrophobicContact CE2-CB 4.02Å; F721-A767 HydrophobicContact CZ-CB 3.74Å; F721-Y770 HydrophobicContact CB-CD1 3.53Å; F721-Y770 HydrophobicContact CB-CE1 3.86Å; F721-Y770 HydrophobicContact CB-CG 4.02Å; F721-Y770 HydrophobicContact CD2-CD1 4.18Å; F721-Y770 HydrophobicContact CD2-CD2 4.01Å; F721-Y770 AromaticContact CD2-CG 3.8Å; F721-Y770 HydrophobicContact CD2-CG 3.8Å; F721-Y770 HydrophobicContact CG-CD1 4.28Å; F721-Y770 HydrophobicContact CG-CG 4.28Å
722	R	88.6	Confident	87.4	Confident	133 Å²	133	88 Å²	88	50%	0.502	40%	0.399	S	S	.	.	H	α-helix	trans	-64.7	-20.4	178.8	-76.5	179.9	-72.4	-175.5	-5.8	113.9	R718 R719 Q720 K726	R718-R722 WeakPolarHBondContact O-CG 3.34Å; R718-R722 PolarHBondContact O-NE 3.15Å; R718-R722 PolarHBondContact O-NH2 3.47Å; R719-R722 PolarHBondContact O-N 3.2Å; Q720-R722 PolarHBondContact O-N 3.35Å; R722-K726 WeakPolarHBondContact O-CD 3.49Å; R722-K726 VanDerWaalsContact O-CG 3.26Å; R722-K726 WeakPolarHBondContact O-CG 3.4Å
723	Q	89.9	Confident	87.4	Confident	131 Å²	131	87.6 Å²	87.6	61%	0.612	40%	0.395	S	S	*	.	H	α-helix	trans	-80.2	-47	169.2	-72	175	-32	0	0	111	R719 Q720 F721 V725 K726 T727	R719-Q723 PolarHBondContact O-N 3.02Å; R719-Q723 VanDerWaalsContact O-N 3.09Å; Q720-Q723 WeakPolarHBondContact O-CA 3.34Å; Q720-Q723 WeakPolarHBondContact O-CB 3.39Å; Q720-Q723 PolarHBondContact O-N 3.46Å; F721-Q723 PolarHBondContact O-N 3.3Å; Q723-V725 PolarHBondContact O-N 2.88Å; Q723-K726 WeakPolarHBondContact O-CB 3.28Å; Q723-K726 PolarHBondContact O-N 2.9Å; Q723-K726 VanDerWaalsContact O-N 3.09Å; Q723-T727 PolarHBondContact O-N 2.89Å; Q723-T727 PolarHBondContact O-OG1 2.98Å
724	A	88.6	Confident	87.5	Confident	26 Å²	26	89.7 Å²	89.7	22%	0.215	41%	0.408	C	S	.	.	H	α-helix	trans	-57.9	-45.5	177.1	0	0	0	0	0	112.3	Q720 F721 K726 T727 Q728 L766	Q720-A724 PolarHBondContact O-N 3.34Å; F721-A724 PolarHBondContact O-N 3.03Å; F721-A724 VanDerWaalsContact O-N 3.11Å; A724-K726 VanDerWaalsContact C-N 3.33Å; A724-K726 PolarHBondContact O-N 3.08Å; A724-T727 PolarHBondContact O-N 3.08Å; A724-T727 VanDerWaalsContact O-N 3.16Å; A724-Q728 PolarHBondContact O-N 2.97Å; A724-L766 HydrophobicContact CB-CD2 4.06Å
725	V	88.8	Confident	87.3	Confident	37 Å²	37	90.7 Å²	90.7	22%	0.224	41%	0.414	C	S	.	.	H	α-helix	trans	-57.3	-42.6	173.5	170.8	0	0	0	0	111.8	F721 Q723 T729 L763 L766	F721-V725 HydrophobicContact CD1-CG2 4.25Å; F721-V725 HydrophobicContact CD2-CG2 3.99Å; F721-V725 HydrophobicContact CE1-CG2 3.87Å; F721-V725 HydrophobicContact CE2-CG2 3.55Å; F721-V725 HydrophobicContact CG-CG2 4.31Å; F721-V725 HydrophobicContact CZ-CG2 3.49Å; F721-V725 VanDerWaalsContact CZ-CG2 3.49Å; F721-V725 VanDerWaalsContact O-CG2 3.29Å; F721-V725 WeakPolarHBondContact O-CG2 3.44Å; F721-V725 PolarHBondContact O-N 3.37Å; Q723-V725 PolarHBondContact O-N 2.88Å; V725-T729 VanDerWaalsContact O-CB 3.24Å; V725-T729 WeakPolarHBondContact O-CB 3.36Å; V725-T729 PolarHBondContact O-N 3.41Å; V725-T729 PolarHBondContact O-OG1 3.21Å; V725-L763 HydrophobicContact CB-CD2 4.21Å; V725-L763 HydrophobicContact CG1-CD2 3.97Å; V725-L763 HydrophobicContact CG2-CD2 4.01Å; V725-L766 HydrophobicContact CG2-CD2 4.22Å
726	K	89.7	Confident	87.1	Confident	145 Å²	145	89 Å²	89	63%	0.63	40%	0.404	S	S	*	.	H	α-helix	trans	-66.5	-39.5	176.6	-78	175.4	-179.9	-176.6	0	111.9	R722 Q723 A724 T729 R730	R722-K726 WeakPolarHBondContact O-CD 3.49Å; R722-K726 VanDerWaalsContact O-CG 3.26Å; R722-K726 WeakPolarHBondContact O-CG 3.4Å; Q723-K726 WeakPolarHBondContact O-CB 3.28Å; Q723-K726 PolarHBondContact O-N 2.9Å; Q723-K726 VanDerWaalsContact O-N 3.09Å; A724-K726 VanDerWaalsContact C-N 3.33Å; A724-K726 PolarHBondContact O-N 3.08Å; K726-T729 PolarHBondContact O-N 2.98Å; K726-R730 WeakPolarHBondContact O-CG 3.36Å; K726-R730 PolarHBondContact O-N 3.24Å
727	T	87.9	Confident	86.8	Confident	74 Å²	74	88.2 Å²	88.2	45%	0.454	40%	0.403	S	S	.	.	H	α-helix	trans	-67	-50.6	177.6	-60.9	0	0	0	0	111.3	Q723 A724 T729 R730 Q731	Q723-T727 PolarHBondContact O-N 2.89Å; Q723-T727 PolarHBondContact O-OG1 2.98Å; A724-T727 PolarHBondContact O-N 3.08Å; A724-T727 VanDerWaalsContact O-N 3.16Å; T727-T729 VanDerWaalsContact C-N 3.29Å; T727-T729 PolarHBondContact O-N 3.28Å; T727-R730 WeakPolarHBondContact O-CB 3.29Å; T727-R730 PolarHBondContact O-N 3.48Å; T727-R730 VanDerWaalsContact O-N 3.08Å; T727-Q731 WeakPolarHBondContact O-CG 3.42Å; T727-Q731 PolarHBondContact O-N 3.43Å
728	Q	84.4	Confident	86.6	Confident	48 Å²	48	92.8 Å²	92.8	22%	0.224	42%	0.424	C	S	.	.	H	α-helix	trans	-59.2	-40	174.2	-79.7	-153.2	22.6	0	0	112	A724 R730 Q731 Y732 L763	A724-Q728 PolarHBondContact O-N 2.97Å; Q728-R730 VanDerWaalsContact C-N 3.28Å; Q728-R730 PolarHBondContact O-N 3.47Å; Q728-Q731 PolarHBondContact O-N 3.04Å; Q728-Y732 WeakPolarHBondContact O-CB 3.35Å; Q728-Y732 PolarHBondContact O-N 3.08Å; Q728-L763 HydrophobicContact CB-CD2 4.45Å
729	T	86.3	Confident	86.1	Confident	42 Å²	42	91 Å²	91	26%	0.258	42%	0.421	S	S	.	.	H	α-helix	trans	-64.5	-31.3	177	-60.5	0	0	0	0	112.7	V725 K726 T727 K733 Q759	V725-T729 VanDerWaalsContact O-CB 3.24Å; V725-T729 WeakPolarHBondContact O-CB 3.36Å; V725-T729 PolarHBondContact O-N 3.41Å; V725-T729 PolarHBondContact O-OG1 3.21Å; K726-T729 PolarHBondContact O-N 2.98Å; T727-T729 VanDerWaalsContact C-N 3.29Å; T727-T729 PolarHBondContact O-N 3.28Å; T729-K733 WeakPolarHBondContact O-CG 3.22Å; T729-K733 PolarHBondContact O-N 3.17Å; T729-Q759 PolarHBondContact OG1-NE2 2.6Å
730	R	87	Confident	85.2	Confident	191 Å²	191	84.4 Å²	84.4	72%	0.721	40%	0.399	S	S	*	.	H	α-helix	trans	-72.2	-45.7	171.2	-74.3	174.3	173.9	-174	-3.7	111.4	K726 T727 Q728 K733 M734	K726-R730 WeakPolarHBondContact O-CG 3.36Å; K726-R730 PolarHBondContact O-N 3.24Å; T727-R730 WeakPolarHBondContact O-CB 3.29Å; T727-R730 PolarHBondContact O-N 3.48Å; T727-R730 VanDerWaalsContact O-N 3.08Å; Q728-R730 VanDerWaalsContact C-N 3.28Å; Q728-R730 PolarHBondContact O-N 3.47Å; R730-K733 PolarHBondContact O-N 2.94Å; R730-M734 WeakPolarHBondContact O-CG 3.47Å; R730-M734 PolarHBondContact O-N 3.27Å
731	Q	85.5	Confident	84.5	Confident	110 Å²	110	87.3 Å²	87.3	51%	0.514	41%	0.413	S	S	.	.	H	α-helix	trans	-59.3	-47.8	177.9	-71.3	167.8	-39.5	0	0	111.5	T727 Q728 K733 M734 L735	T727-Q731 WeakPolarHBondContact O-CG 3.42Å; T727-Q731 PolarHBondContact O-N 3.43Å; Q728-Q731 PolarHBondContact O-N 3.04Å; Q731-K733 VanDerWaalsContact C-N 3.31Å; Q731-K733 PolarHBondContact O-N 2.88Å; Q731-M734 PolarHBondContact O-N 3.13Å; Q731-M734 VanDerWaalsContact O-N 3.14Å; Q731-L735 WeakPolarHBondContact O-CB 3.38Å; Q731-L735 PolarHBondContact O-N 3.3Å
732	Y	84.7	Confident	83.4	Confident	17 Å²	17	92.4 Å²	92.4	7%	0.067	44%	0.437	C	S	.	.	H	α-helix	trans	-60.6	-36.8	175.1	-98.5	-80	0	0	0	113	Q728 Q736 L755 E758 Q759 K762	Q728-Y732 WeakPolarHBondContact O-CB 3.35Å; Q728-Y732 PolarHBondContact O-N 3.08Å; Y732-Q736 WeakPolarHBondContact O-CB 3.41Å; Y732-Q736 PolarHBondContact O-N 3.07Å; Y732-L755 HydrophobicContact CD1-CD2 4.34Å; Y732-L755 HydrophobicContact CE1-CD2 4.04Å; Y732-L755 WeakPolarHBondContact CE1-O 3.26Å; Y732-E758 PolarHBondContact OH-OE2 2.96Å; Y732-Q759 HydrophobicContact CD1-CB 3.83Å; Y732-Q759 HydrophobicContact CD1-CG 4.29Å; Y732-Q759 HydrophobicContact CD2-CB 4.01Å; Y732-Q759 HydrophobicContact CD2-CG 3.77Å; Y732-Q759 HydrophobicContact CE1-CB 3.94Å; Y732-Q759 HydrophobicContact CE2-CB 4.1Å; Y732-Q759 HydrophobicContact CE2-CG 4.23Å; Y732-Q759 HydrophobicContact CG-CB 3.87Å; Y732-Q759 HydrophobicContact CG-CG 3.81Å; Y732-K762 HydrophobicContact CE2-CD 4.24Å; Y732-K762 WeakPolarHBondContact OH-CD 3.36Å; Y732-K762 WeakPolarHBondContact OH-CE 3.42Å; Y732-K762 PolarHBondContact OH-NZ 3Å
733	K	85	Confident	82.3	Confident	134 Å²	134	89 Å²	89	58%	0.583	43%	0.429	S	S	*	.	H	α-helix	trans	-66.7	-37.4	173.8	-79.3	-177.6	176	-168.1	0	113.1	T729 R730 Q731 L737	T729-K733 WeakPolarHBondContact O-CG 3.22Å; T729-K733 PolarHBondContact O-N 3.17Å; R730-K733 PolarHBondContact O-N 2.94Å; Q731-K733 VanDerWaalsContact C-N 3.31Å; Q731-K733 PolarHBondContact O-N 2.88Å; K733-L737 WeakPolarHBondContact O-CB 3.41Å; K733-L737 PolarHBondContact O-N 3.23Å
734	M	84.8	Confident	81.2	Confident	123 Å²	123	87.5 Å²	87.5	61%	0.606	43%	0.43	S	S	*	.	H	α-helix	trans	-70.8	-43.9	175	-61	-155.7	-45.1	0	0	111.7	R730 Q731 Q736 L737 Q738	R730-M734 WeakPolarHBondContact O-CG 3.47Å; R730-M734 PolarHBondContact O-N 3.27Å; Q731-M734 PolarHBondContact O-N 3.13Å; Q731-M734 VanDerWaalsContact O-N 3.14Å; M734-Q736 VanDerWaalsContact C-N 3.34Å; M734-Q736 PolarHBondContact O-N 2.97Å; M734-L737 WeakPolarHBondContact O-CA 3.38Å; M734-L737 WeakPolarHBondContact O-CB 3.5Å; M734-L737 PolarHBondContact O-N 3.34Å; M734-L737 VanDerWaalsContact O-N 3.08Å; M734-Q738 WeakPolarHBondContact O-CG 3.32Å; M734-Q738 PolarHBondContact O-N 3.07Å
735	L	83.5	Confident	80.2	Confident	70 Å²	70	96.8 Å²	96.8	37%	0.366	46%	0.46	S	S	.	.	H	α-helix	trans	-60.9	-41.9	175.7	-179.5	64.2	0	0	0	111.7	Q731 L737 Q738 L739 L755	Q731-L735 WeakPolarHBondContact O-CB 3.38Å; Q731-L735 PolarHBondContact O-N 3.3Å; L735-L737 VanDerWaalsContact C-N 3.34Å; L735-Q738 PolarHBondContact O-N 2.98Å; L735-L739 HydrophobicContact CD1-CD1 3.96Å; L735-L739 HydrophobicContact CD1-CG 4.39Å; L735-L739 HydrophobicContact CG-CD1 3.96Å; L735-L739 WeakPolarHBondContact O-CB 3.48Å; L735-L739 WeakPolarHBondContact O-CG 3.26Å; L735-L739 PolarHBondContact O-N 3.35Å; L735-L755 HydrophobicContact CD2-CD2 4.11Å; L735-L755 HydrophobicContact CG-CD2 4.47Å
736	Q	82.6	Confident	79.1	Confident	54 Å²	54	103.7 Å²	103.7	25%	0.252	49%	0.489	S	S	.	.	H	α-helix	trans	-61.1	-42	172.4	-173	-164.3	-27.1	0	0	111.3	Y732 M734 T740 I752 L755	Y732-Q736 WeakPolarHBondContact O-CB 3.41Å; Y732-Q736 PolarHBondContact O-N 3.07Å; M734-Q736 VanDerWaalsContact C-N 3.34Å; M734-Q736 PolarHBondContact O-N 2.97Å; Q736-T740 HydrophobicContact CG-CG2 4.45Å; Q736-T740 WeakPolarHBondContact O-CB 3.31Å; Q736-T740 VanDerWaalsContact O-CG2 3.25Å; Q736-T740 WeakPolarHBondContact O-CG2 3.32Å; Q736-T740 PolarHBondContact O-N 3.45Å; Q736-T740 PolarHBondContact O-OG1 3.13Å; Q736-I752 HydrophobicContact CG-CG1 4.01Å; Q736-L755 HydrophobicContact CB-CD1 4.09Å; Q736-L755 HydrophobicContact CG-CD1 4.19Å
737	L	83	Confident	78.2	Confident	101 Å²	101	98.2 Å²	98.2	53%	0.529	48%	0.475	S	S	.	.	H	α-helix	trans	-62.1	-46.9	176.4	-98.3	160	0	0	0	112.1	K733 M734 L735 T740 Q741	K733-L737 WeakPolarHBondContact O-CB 3.41Å; K733-L737 PolarHBondContact O-N 3.23Å; M734-L737 WeakPolarHBondContact O-CA 3.38Å; M734-L737 WeakPolarHBondContact O-CB 3.5Å; M734-L737 PolarHBondContact O-N 3.34Å; M734-L737 VanDerWaalsContact O-N 3.08Å; L735-L737 VanDerWaalsContact C-N 3.34Å; L737-T740 PolarHBondContact O-N 3.32Å; L737-T740 PolarHBondContact O-OG1 3.49Å; L737-Q741 WeakPolarHBondContact O-CG 3.29Å; L737-Q741 PolarHBondContact O-N 3.19Å; L737-Q741 VanDerWaalsContact O-N 3.16Å
738	Q	81.5	Confident	77.5	Confident	116 Å²	116	97.2 Å²	97.2	54%	0.542	47%	0.465	S	S	.	.	H	α-helix	trans	-60.8	-53.8	177.6	-68.8	173.8	-67.4	0	0	111	M734 L735 T740 Q741	M734-Q738 WeakPolarHBondContact O-CG 3.32Å; M734-Q738 PolarHBondContact O-N 3.07Å; L735-Q738 PolarHBondContact O-N 2.98Å; Q738-T740 PolarHBondContact O-N 3.03Å; Q738-T740 VanDerWaalsContact O-N 3.17Å; Q738-Q741 PolarHBondContact O-N 2.88Å
739	L	77.2	Confident	77.3	Confident	54 Å²	54	104.7 Å²	104.7	28%	0.283	49%	0.491	S	S	.	.	H	α-helix	trans	-64	-22.4	179.8	-72	167.5	0	0	0	113.9	L735 L743 V751 L755	L735-L739 HydrophobicContact CD1-CD1 3.96Å; L735-L739 HydrophobicContact CD1-CG 4.39Å; L735-L739 HydrophobicContact CG-CD1 3.96Å; L735-L739 WeakPolarHBondContact O-CB 3.48Å; L735-L739 WeakPolarHBondContact O-CG 3.26Å; L735-L739 PolarHBondContact O-N 3.35Å; L739-L743 VanDerWaalsContact O-CD1 3.22Å; L739-L743 WeakPolarHBondContact O-CD1 3.3Å; L739-V751 HydrophobicContact CB-CG1 4.25Å; L739-V751 HydrophobicContact CD1-CG1 4.5Å; L739-L755 HydrophobicContact CD1-CD1 3.91Å; L739-L755 HydrophobicContact CD1-CD2 4.13Å; L739-L755 HydrophobicContact CD1-CG 4.5Å
740	T	71.5	Confident	77	Confident	25 Å²	25	107.6 Å²	107.6	15%	0.153	51%	0.505	C	S	.	.	H	α-helix	trans	-89.4	-12.5	175.7	52	0	0	0	0	113.9	Q736 L737 Q738 Q748 I752	Q736-T740 HydrophobicContact CG-CG2 4.45Å; Q736-T740 WeakPolarHBondContact O-CB 3.31Å; Q736-T740 VanDerWaalsContact O-CG2 3.25Å; Q736-T740 WeakPolarHBondContact O-CG2 3.32Å; Q736-T740 PolarHBondContact O-N 3.45Å; Q736-T740 PolarHBondContact O-OG1 3.13Å; L737-T740 PolarHBondContact O-N 3.32Å; L737-T740 PolarHBondContact O-OG1 3.49Å; Q738-T740 PolarHBondContact O-N 3.03Å; Q738-T740 VanDerWaalsContact O-N 3.17Å; T740-Q748 HydrophobicContact CG2-CB 4.35Å; T740-Q748 HydrophobicContact CG2-CG 4.26Å; T740-Q748 PolarHBondContact O-NE2 3.23Å; T740-I752 HydrophobicContact CG2-CD1 3.83Å; T740-I752 HydrophobicContact CG2-CG1 3.78Å
741	Q	73.9	Confident	76.6	Confident	152 Å²	152	100.2 Å²	100.2	71%	0.71	48%	0.481	S	S	*	.	H	α-helix	trans	-78	-28.8	170.7	-75.1	174.3	-6	0	0	112.4	L737 Q738	L737-Q741 WeakPolarHBondContact O-CG 3.29Å; L737-Q741 PolarHBondContact O-N 3.19Å; L737-Q741 VanDerWaalsContact O-N 3.16Å; Q738-Q741 PolarHBondContact O-N 2.88Å
742	E	67.9	Low	76.4	Confident	158 Å²	158	96.8 Å²	96.8	74%	0.738	47%	0.466	S	S	*	.	S	Bend	trans	-91.4	-13.3	-174.8	-64.1	178.9	168.7	0	0	114.5
743	L	65.1	Low	76.4	Confident	61 Å²	61	98.6 Å²	98.6	32%	0.319	48%	0.484	S	S	.	.	S	Bend	trans	-111.4	145.1	-175.1	-86	90.6	0	0	0	114.6	L739 Q748 V751	L739-L743 VanDerWaalsContact O-CD1 3.22Å; L739-L743 WeakPolarHBondContact O-CD1 3.3Å; L743-Q748 HydrophobicContact CB-CG 4.34Å; L743-Q748 PolarHBondContact O-NE2 3.46Å; L743-V751 HydrophobicContact CD2-CG2 3.92Å
744	P	67.1	Low	76.4	Confident	99 Å²	99	101.3 Å²	101.3	64%	0.643	49%	0.491	S	S	*	.			trans	-57.4	147.5	169.7	-24.1	34.2	0	0	0	113.5	E746 G747 Q748	P744-E746 PolarHBondContact O-N 3.48Å; P744-G747 PolarHBondContact O-N 2.9Å; P744-Q748 PolarHBondContact O-N 3.39Å
745	R	66	Low	76.3	Confident	221 Å²	221	96.2 Å²	96.2	83%	0.834	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-29.5	-172	-73.9	-175.3	175	-178	-0.4	115.5
746	E	66.9	Low	76.3	Confident	182 Å²	182	98.6 Å²	98.6	85%	0.85	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-44	-179.6	-64	176.8	147.9	0	0	111.6	P744 Q748	P744-E746 PolarHBondContact O-N 3.48Å; E746-Q748 VanDerWaalsContact C-N 3.33Å; E746-Q748 PolarHBondContact O-N 3.42Å
747	G	70.9	Confident	76.6	Confident	31 Å²	31	101.5 Å²	101.5	32%	0.32	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-21.3	177.1	0	0	0	0	0	114.5	P744 R749 D750 V751	P744-G747 PolarHBondContact O-N 2.9Å; G747-R749 VanDerWaalsContact C-N 3.26Å; G747-R749 PolarHBondContact O-N 2.96Å; G747-D750 PolarHBondContact O-N 3.38Å; G747-V751 PolarHBondContact O-N 2.9Å
748	Q	73.5	Confident	76.7	Confident	52 Å²	52	100 Å²	100	24%	0.243	48%	0.477	C	S	.	.	H	α-helix	trans	-58.3	-35	-179.9	-71	177	10.4	0	0	112.9	T740 L743 P744 E746 I752	T740-Q748 HydrophobicContact CG2-CB 4.35Å; T740-Q748 HydrophobicContact CG2-CG 4.26Å; T740-Q748 PolarHBondContact O-NE2 3.23Å; L743-Q748 HydrophobicContact CB-CG 4.34Å; L743-Q748 PolarHBondContact O-NE2 3.46Å; P744-Q748 PolarHBondContact O-N 3.39Å; E746-Q748 VanDerWaalsContact C-N 3.33Å; E746-Q748 PolarHBondContact O-N 3.42Å; Q748-I752 WeakPolarHBondContact O-CB 3.43Å; Q748-I752 WeakPolarHBondContact O-CD1 3.19Å; Q748-I752 WeakPolarHBondContact O-CG1 3.48Å; Q748-I752 PolarHBondContact O-N 3.4Å
749	R	78.7	Confident	76.9	Confident	205 Å²	205	96.2 Å²	96.2	77%	0.774	46%	0.46	S	S	*	.	H	α-helix	trans	-61.6	-47.2	-178.7	-79.9	-172	170.8	-165.7	-0.7	112.4	G747 I752 A753	G747-R749 VanDerWaalsContact C-N 3.26Å; G747-R749 PolarHBondContact O-N 2.96Å; R749-I752 PolarHBondContact O-N 2.88Å; R749-A753 WeakPolarHBondContact O-CB 3.27Å; R749-A753 PolarHBondContact O-N 2.98Å
750	D	80.1	Confident	77.4	Confident	104 Å²	104	100 Å²	100	56%	0.556	47%	0.474	S	S	*	.	H	α-helix	trans	-71.3	-37.4	-176.1	-72.4	3	0	0	0	111.9	G747 A753 R754	G747-D750 PolarHBondContact O-N 3.38Å; D750-A753 PolarHBondContact O-N 3.04Å; D750-R754 WeakPolarHBondContact O-CB 3.29Å; D750-R754 VanDerWaalsContact O-CG 3.32Å; D750-R754 WeakPolarHBondContact O-CG 3.44Å; D750-R754 PolarHBondContact O-N 3.23Å
751	V	79.3	Confident	78.2	Confident	36 Å²	36	106.7 Å²	106.7	22%	0.218	50%	0.496	C	S	.	.	H	α-helix	trans	-64.5	-43.6	173.5	176.4	0	0	0	0	110.8	L739 L743 G747 A753 R754 L755	L739-V751 HydrophobicContact CB-CG1 4.25Å; L739-V751 HydrophobicContact CD1-CG1 4.5Å; L743-V751 HydrophobicContact CD2-CG2 3.92Å; G747-V751 PolarHBondContact O-N 2.9Å; V751-A753 VanDerWaalsContact C-N 3.33Å; V751-A753 PolarHBondContact O-N 3.2Å; V751-R754 PolarHBondContact O-N 3.46Å; V751-L755 HydrophobicContact CG1-CD1 3.9Å; V751-L755 HydrophobicContact CG1-CG 4.38Å; V751-L755 WeakPolarHBondContact O-CB 3.45Å; V751-L755 VanDerWaalsContact O-CG 3.27Å; V751-L755 WeakPolarHBondContact O-CG 3.42Å; V751-L755 PolarHBondContact O-N 3.49Å
752	I	81.4	Confident	78.8	Confident	37 Å²	37	103 Å²	103	19%	0.19	48%	0.477	C	S	.	.	H	α-helix	trans	-62.4	-39.5	174.5	-67.6	165.8	0	0	0	111.3	Q736 T740 Q748 R749 K756	Q736-I752 HydrophobicContact CG-CG1 4.01Å; T740-I752 HydrophobicContact CG2-CD1 3.83Å; T740-I752 HydrophobicContact CG2-CG1 3.78Å; Q748-I752 WeakPolarHBondContact O-CB 3.43Å; Q748-I752 WeakPolarHBondContact O-CD1 3.19Å; Q748-I752 WeakPolarHBondContact O-CG1 3.48Å; Q748-I752 PolarHBondContact O-N 3.4Å; R749-I752 PolarHBondContact O-N 2.88Å; I752-K756 HydrophobicContact CG2-CD 4.19Å; I752-K756 VanDerWaalsContact O-CG 3.31Å; I752-K756 WeakPolarHBondContact O-CG 3.46Å; I752-K756 PolarHBondContact O-N 3.29Å; I752-K756 VanDerWaalsContact O-N 3.07Å
753	A	83.9	Confident	79.7	Confident	55 Å²	55	97.3 Å²	97.3	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-64.9	-49.4	177.3	0	0	0	0	0	111.6	R749 D750 V751 L755 K756 E757	R749-A753 WeakPolarHBondContact O-CB 3.27Å; R749-A753 PolarHBondContact O-N 2.98Å; D750-A753 PolarHBondContact O-N 3.04Å; V751-A753 VanDerWaalsContact C-N 3.33Å; V751-A753 PolarHBondContact O-N 3.2Å; A753-L755 PolarHBondContact O-N 3.09Å; A753-K756 PolarHBondContact O-N 3.37Å; A753-E757 PolarHBondContact O-N 3.06Å
754	R	85.1	Confident	80.8	Confident	191 Å²	191	97.1 Å²	97.1	72%	0.721	46%	0.46	S	S	*	.	H	α-helix	trans	-60.7	-43.2	177	-69.9	176.5	-171.1	-162.4	4.6	112.2	D750 V751 K756 E757 E758	D750-R754 WeakPolarHBondContact O-CB 3.29Å; D750-R754 VanDerWaalsContact O-CG 3.32Å; D750-R754 WeakPolarHBondContact O-CG 3.44Å; D750-R754 PolarHBondContact O-N 3.23Å; V751-R754 PolarHBondContact O-N 3.46Å; R754-K756 VanDerWaalsContact C-N 3.33Å; R754-K756 PolarHBondContact O-N 3.04Å; R754-E757 PolarHBondContact O-N 2.99Å; R754-E758 WeakPolarHBondContact O-CB 3.44Å; R754-E758 PolarHBondContact O-N 2.9Å
755	L	83.9	Confident	81.8	Confident	17 Å²	17	96 Å²	96	9%	0.089	45%	0.448	C	S	.	.	H	α-helix	trans	-61.6	-38	175.6	-75.7	169.5	0	0	0	112.4	Y732 L735 Q736 L739 V751 A753 Q759	Y732-L755 HydrophobicContact CD1-CD2 4.34Å; Y732-L755 HydrophobicContact CE1-CD2 4.04Å; Y732-L755 WeakPolarHBondContact CE1-O 3.26Å; L735-L755 HydrophobicContact CD2-CD2 4.11Å; L735-L755 HydrophobicContact CG-CD2 4.47Å; Q736-L755 HydrophobicContact CB-CD1 4.09Å; Q736-L755 HydrophobicContact CG-CD1 4.19Å; L739-L755 HydrophobicContact CD1-CD1 3.91Å; L739-L755 HydrophobicContact CD1-CD2 4.13Å; L739-L755 HydrophobicContact CD1-CG 4.5Å; V751-L755 HydrophobicContact CG1-CD1 3.9Å; V751-L755 HydrophobicContact CG1-CG 4.38Å; V751-L755 WeakPolarHBondContact O-CB 3.45Å; V751-L755 VanDerWaalsContact O-CG 3.27Å; V751-L755 WeakPolarHBondContact O-CG 3.42Å; V751-L755 PolarHBondContact O-N 3.49Å; A753-L755 PolarHBondContact O-N 3.09Å; L755-Q759 WeakPolarHBondContact O-CB 3.35Å; L755-Q759 PolarHBondContact O-N 2.99Å
756	K	84	Confident	82.9	Confident	120 Å²	120	86.4 Å²	86.4	52%	0.522	41%	0.413	S	S	.	.	H	α-helix	trans	-68.9	-41.3	175.9	-76.6	173.4	178.9	178.9	0	112.6	I752 A753 R754 Q759 K760	I752-K756 HydrophobicContact CG2-CD 4.19Å; I752-K756 VanDerWaalsContact O-CG 3.31Å; I752-K756 WeakPolarHBondContact O-CG 3.46Å; I752-K756 PolarHBondContact O-N 3.29Å; I752-K756 VanDerWaalsContact O-N 3.07Å; A753-K756 PolarHBondContact O-N 3.37Å; R754-K756 VanDerWaalsContact C-N 3.33Å; R754-K756 PolarHBondContact O-N 3.04Å; K756-Q759 PolarHBondContact O-N 2.8Å; K756-K760 VanDerWaalsContact O-CB 3.3Å; K756-K760 WeakPolarHBondContact O-CB 3.41Å; K756-K760 PolarHBondContact O-N 3.39Å
757	E	87.3	Confident	83.8	Confident	115 Å²	115	79.2 Å²	79.2	54%	0.537	39%	0.385	S	S	.	.	H	α-helix	trans	-65.9	-41.8	176.4	-157.3	68	-122.5	0	0	110.8	A753 R754 K760 R761	A753-E757 PolarHBondContact O-N 3.06Å; R754-E757 PolarHBondContact O-N 2.99Å; E757-K760 PolarHBondContact O-N 3.22Å; E757-K760 IonicContact OE1-NZ 2.67Å; E757-K760 PolarHBondContact OE1-NZ 3.44Å; E757-R761 PolarHBondContact O-N 3.09Å
758	E	86.6	Confident	84.7	Confident	69 Å²	69	83.2 Å²	83.2	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-66.8	-41.9	176.2	-158.3	-152.3	-172.9	0	0	112.2	Y732 R754 K760 R761 K762	Y732-E758 PolarHBondContact OH-OE2 2.96Å; R754-E758 WeakPolarHBondContact O-CB 3.44Å; R754-E758 PolarHBondContact O-N 2.9Å; E758-K760 VanDerWaalsContact C-N 3.35Å; E758-K760 PolarHBondContact O-N 2.98Å; E758-R761 PolarHBondContact O-N 3.17Å; E758-K762 PolarHBondContact O-N 3.49Å; E758-K762 WeakPolarHBondContact OE1-CE 3.25Å; E758-K762 IonicContact OE1-NZ 2.69Å; E758-K762 PolarHBondContact OE1-NZ 3.04Å; E758-K762 IonicContact OE2-NZ 2.65Å; E758-K762 PolarHBondContact OE2-NZ 3.3Å
759	Q	85.5	Confident	85.5	Confident	37 Å²	37	86.1 Å²	86.1	17%	0.173	41%	0.409	C	S	.	.	H	α-helix	trans	-57.4	-48.2	172.6	-176.4	-172.4	3.5	0	0	110.5	T729 Y732 L755 K756 R761 K762 L763	T729-Q759 PolarHBondContact OG1-NE2 2.6Å; Y732-Q759 HydrophobicContact CD1-CB 3.83Å; Y732-Q759 HydrophobicContact CD1-CG 4.29Å; Y732-Q759 HydrophobicContact CD2-CB 4.01Å; Y732-Q759 HydrophobicContact CD2-CG 3.77Å; Y732-Q759 HydrophobicContact CE1-CB 3.94Å; Y732-Q759 HydrophobicContact CE2-CB 4.1Å; Y732-Q759 HydrophobicContact CE2-CG 4.23Å; Y732-Q759 HydrophobicContact CG-CB 3.87Å; Y732-Q759 HydrophobicContact CG-CG 3.81Å; L755-Q759 WeakPolarHBondContact O-CB 3.35Å; L755-Q759 PolarHBondContact O-N 2.99Å; K756-Q759 PolarHBondContact O-N 2.8Å; Q759-R761 VanDerWaalsContact C-N 3.34Å; Q759-R761 PolarHBondContact O-N 3.23Å; Q759-K762 PolarHBondContact O-N 3.4Å; Q759-L763 HydrophobicContact CG-CD1 3.9Å; Q759-L763 HydrophobicContact CG-CG 4.34Å; Q759-L763 WeakPolarHBondContact O-CB 3.35Å; Q759-L763 VanDerWaalsContact O-CG 3.23Å; Q759-L763 WeakPolarHBondContact O-CG 3.42Å; Q759-L763 PolarHBondContact O-N 3.28Å
760	K	86.1	Confident	86	Confident	134 Å²	134	79.4 Å²	79.4	58%	0.583	38%	0.384	S	S	*	.	H	α-helix	trans	-59.8	-43	177.4	178.7	-175.9	159.1	-148.2	0	111.4	K756 E757 E758 L763 A764	K756-K760 VanDerWaalsContact O-CB 3.3Å; K756-K760 WeakPolarHBondContact O-CB 3.41Å; K756-K760 PolarHBondContact O-N 3.39Å; E757-K760 PolarHBondContact O-N 3.22Å; E757-K760 IonicContact OE1-NZ 2.67Å; E757-K760 PolarHBondContact OE1-NZ 3.44Å; E758-K760 VanDerWaalsContact C-N 3.35Å; E758-K760 PolarHBondContact O-N 2.98Å; K760-L763 PolarHBondContact O-N 2.86Å; K760-A764 WeakPolarHBondContact O-CB 3.32Å; K760-A764 PolarHBondContact O-N 3.49Å
761	R	88.8	Confident	86.5	Confident	164 Å²	164	79.9 Å²	79.9	62%	0.619	38%	0.382	S	S	*	.	H	α-helix	trans	-63.6	-45.6	176	-164.4	-178.9	78	135.5	1.3	112.3	E757 E758 Q759 A764 L765	E757-R761 PolarHBondContact O-N 3.09Å; E758-R761 PolarHBondContact O-N 3.17Å; Q759-R761 VanDerWaalsContact C-N 3.34Å; Q759-R761 PolarHBondContact O-N 3.23Å; R761-A764 PolarHBondContact O-N 3.01Å; R761-L765 HydrophobicContact CG-CD1 4.45Å; R761-L765 WeakPolarHBondContact O-CG 3.4Å; R761-L765 PolarHBondContact O-N 3.43Å
762	K	87.4	Confident	87	Confident	74 Å²	74	83.9 Å²	83.9	32%	0.322	40%	0.399	S	S	.	.	H	α-helix	trans	-67.3	-34.8	177.6	-71.3	-176	-168.1	158.2	0	112.5	Y732 E758 Q759 L766	Y732-K762 HydrophobicContact CE2-CD 4.24Å; Y732-K762 WeakPolarHBondContact OH-CD 3.36Å; Y732-K762 WeakPolarHBondContact OH-CE 3.42Å; Y732-K762 PolarHBondContact OH-NZ 3Å; E758-K762 PolarHBondContact O-N 3.49Å; E758-K762 WeakPolarHBondContact OE1-CE 3.25Å; E758-K762 IonicContact OE1-NZ 2.69Å; E758-K762 PolarHBondContact OE1-NZ 3.04Å; E758-K762 IonicContact OE2-NZ 2.65Å; E758-K762 PolarHBondContact OE2-NZ 3.3Å; Q759-K762 PolarHBondContact O-N 3.4Å; K762-L766 VanDerWaalsContact O-CB 3.23Å; K762-L766 WeakPolarHBondContact O-CB 3.46Å; K762-L766 PolarHBondContact O-N 3.48Å
763	L	86.3	Confident	87.3	Confident	39 Å²	39	84.2 Å²	84.2	20%	0.204	41%	0.405	C	S	.	.	H	α-helix	trans	-69.6	-31.1	173.8	-71.5	176.1	0	0	0	112.9	V725 Q728 Q759 K760 L766 A767	V725-L763 HydrophobicContact CB-CD2 4.21Å; V725-L763 HydrophobicContact CG1-CD2 3.97Å; V725-L763 HydrophobicContact CG2-CD2 4.01Å; Q728-L763 HydrophobicContact CB-CD2 4.45Å; Q759-L763 HydrophobicContact CG-CD1 3.9Å; Q759-L763 HydrophobicContact CG-CG 4.34Å; Q759-L763 WeakPolarHBondContact O-CB 3.35Å; Q759-L763 VanDerWaalsContact O-CG 3.23Å; Q759-L763 WeakPolarHBondContact O-CG 3.42Å; Q759-L763 PolarHBondContact O-N 3.28Å; K760-L763 PolarHBondContact O-N 2.86Å; L763-L766 HydrophobicContact CD2-CD2 4.46Å; L763-A767 PolarHBondContact O-N 3.06Å; L763-A767 VanDerWaalsContact O-N 3.09Å
764	A	87.7	Confident	87.5	Confident	58 Å²	58	82.3 Å²	82.3	48%	0.479	39%	0.386	S	S	.	.	H	α-helix	trans	-69.3	-50.3	173.1	0	0	0	0	0	111.7	K760 R761 L766 A767 E768	K760-A764 WeakPolarHBondContact O-CB 3.32Å; K760-A764 PolarHBondContact O-N 3.49Å; R761-A764 PolarHBondContact O-N 3.01Å; A764-L766 VanDerWaalsContact C-N 3.25Å; A764-L766 PolarHBondContact O-N 3.11Å; A764-A767 WeakPolarHBondContact O-CA 3.48Å; A764-A767 WeakPolarHBondContact O-CB 3.48Å; A764-A767 PolarHBondContact O-N 3.18Å; A764-E768 PolarHBondContact O-N 3.17Å
765	L	89.6	Confident	87.6	Confident	76 Å²	76	74.8 Å²	74.8	40%	0.398	37%	0.369	S	S	.	.	H	α-helix	trans	-59	-36.8	174.8	-67.9	167.2	0	0	0	112.1	R761 A767 Q769	R761-L765 HydrophobicContact CG-CD1 4.45Å; R761-L765 WeakPolarHBondContact O-CG 3.4Å; R761-L765 PolarHBondContact O-N 3.43Å; L765-A767 VanDerWaalsContact C-N 3.31Å; L765-A767 PolarHBondContact O-N 3.4Å; L765-Q769 WeakPolarHBondContact O-CB 3.33Å; L765-Q769 VanDerWaalsContact O-CG 3.32Å; L765-Q769 WeakPolarHBondContact O-CG 3.44Å; L765-Q769 PolarHBondContact O-N 2.93Å
766	L	87.3	Confident	87.8	Confident	19 Å²	19	79.8 Å²	79.8	10%	0.099	39%	0.391	C	S	.	.	H	α-helix	trans	-68.9	-27.9	174.1	-170.3	72	0	0	0	112.6	F721 A724 V725 K762 L763 A764 Y770	F721-L766 HydrophobicContact CD2-CG 4.31Å; F721-L766 HydrophobicContact CE2-CB 4.39Å; F721-L766 HydrophobicContact CE2-CD2 4.27Å; F721-L766 HydrophobicContact CE2-CG 4.05Å; F721-L766 WeakPolarHBondContact CE2-O 3.48Å; A724-L766 HydrophobicContact CB-CD2 4.06Å; V725-L766 HydrophobicContact CG2-CD2 4.22Å; K762-L766 VanDerWaalsContact O-CB 3.23Å; K762-L766 WeakPolarHBondContact O-CB 3.46Å; K762-L766 PolarHBondContact O-N 3.48Å; L763-L766 HydrophobicContact CD2-CD2 4.46Å; A764-L766 VanDerWaalsContact C-N 3.25Å; A764-L766 PolarHBondContact O-N 3.11Å; L766-Y770 HydrophobicContact CD1-CD2 4.17Å; L766-Y770 HydrophobicContact CD1-CE2 3.78Å; L766-Y770 HydrophobicContact CG-CD2 4.32Å; L766-Y770 HydrophobicContact CG-CE2 4.25Å; L766-Y770 WeakPolarHBondContact O-CD2 3.4Å; L766-Y770 PolarHBondContact O-N 3.25Å
767	A	86.2	Confident	88	Confident	31 Å²	31	76.4 Å²	76.4	26%	0.256	38%	0.381	S	S	.	.	H	α-helix	trans	-72.9	-49	174.2	0	0	0	0	0	110.2	F721 L763 A764 L765 Q769 Y770 E771	F721-A767 HydrophobicContact CE2-CB 4.02Å; F721-A767 HydrophobicContact CZ-CB 3.74Å; L763-A767 PolarHBondContact O-N 3.06Å; L763-A767 VanDerWaalsContact O-N 3.09Å; A764-A767 WeakPolarHBondContact O-CA 3.48Å; A764-A767 WeakPolarHBondContact O-CB 3.48Å; A764-A767 PolarHBondContact O-N 3.18Å; L765-A767 VanDerWaalsContact C-N 3.31Å; L765-A767 PolarHBondContact O-N 3.4Å; A767-Q769 PolarHBondContact O-N 3.48Å; A767-Y770 CarbonylContact O-C 3.57Å; A767-Y770 PolarHBondContact O-N 3.37Å; A767-E771 PolarHBondContact O-N 3.46Å
768	E	91.1	Very high	87.9	Confident	115 Å²	115	73.8 Å²	73.8	54%	0.537	37%	0.37	S	S	.	.	H	α-helix	trans	-51.8	-54.4	176.3	-168.8	166	-139.9	0	0	111.3	A764 Y770 E771 E772	A764-E768 PolarHBondContact O-N 3.17Å; E768-Y770 VanDerWaalsContact C-N 3.25Å; E768-Y770 PolarHBondContact O-N 2.93Å; E768-E771 PolarHBondContact O-N 3.06Å; E768-E772 WeakPolarHBondContact O-CG 3.25Å; E768-E772 PolarHBondContact O-N 3Å
769	Q	90	Very high	87.9	Confident	113 Å²	113	76.8 Å²	76.8	53%	0.528	38%	0.384	S	S	.	.	H	α-helix	trans	-57.3	-32.5	175.8	-73.7	177.7	-16.8	0	0	114.4	L765 A767 S773	L765-Q769 WeakPolarHBondContact O-CB 3.33Å; L765-Q769 VanDerWaalsContact O-CG 3.32Å; L765-Q769 WeakPolarHBondContact O-CG 3.44Å; L765-Q769 PolarHBondContact O-N 2.93Å; A767-Q769 PolarHBondContact O-N 3.48Å; Q769-S773 WeakPolarHBondContact O-CB 3.47Å; Q769-S773 PolarHBondContact O-N 2.95Å
770	Y	89.4	Confident	88.1	Confident	63 Å²	63	79 Å²	79	25%	0.247	40%	0.397	C	S	.	.	H	α-helix	trans	-83.3	-21.9	177.6	-88.6	-108.1	0	0	0	112.7	I717 Q720 F721 L766 A767 E768 I774	I717-Y770 HydrophobicContact CG2-CD1 3.68Å; I717-Y770 HydrophobicContact CG2-CE1 4.31Å; Q720-Y770 HydrophobicContact CB-CE1 4.09Å; F721-Y770 HydrophobicContact CB-CD1 3.53Å; F721-Y770 HydrophobicContact CB-CE1 3.86Å; F721-Y770 HydrophobicContact CB-CG 4.02Å; F721-Y770 HydrophobicContact CD2-CD1 4.18Å; F721-Y770 HydrophobicContact CD2-CD2 4.01Å; F721-Y770 AromaticContact CD2-CG 3.8Å; F721-Y770 HydrophobicContact CD2-CG 3.8Å; F721-Y770 HydrophobicContact CG-CD1 4.28Å; F721-Y770 HydrophobicContact CG-CG 4.28Å; L766-Y770 HydrophobicContact CD1-CD2 4.17Å; L766-Y770 HydrophobicContact CD1-CE2 3.78Å; L766-Y770 HydrophobicContact CG-CD2 4.32Å; L766-Y770 HydrophobicContact CG-CE2 4.25Å; L766-Y770 WeakPolarHBondContact O-CD2 3.4Å; L766-Y770 PolarHBondContact O-N 3.25Å; A767-Y770 CarbonylContact O-C 3.57Å; A767-Y770 PolarHBondContact O-N 3.37Å; E768-Y770 VanDerWaalsContact C-N 3.25Å; E768-Y770 PolarHBondContact O-N 2.93Å; Y770-I774 WeakPolarHBondContact O-CD1 3.45Å; Y770-I774 WeakPolarHBondContact O-CG1 3.43Å; Y770-I774 PolarHBondContact O-N 3.03Å; Y770-I774 VanDerWaalsContact O-N 3.13Å
771	E	89	Confident	88.1	Confident	114 Å²	114	74.8 Å²	74.8	53%	0.533	38%	0.38	S	S	.	.	H	α-helix	trans	-82.8	-37.4	171.6	-62.9	-155.2	138.2	0	0	111.5	R718 A767 E768 I774 G775	R718-E771 IonicContact CZ-OE1 2.73Å; R718-E771 IonicContact NH1-OE1 2.88Å; R718-E771 PolarHBondContact NH1-OE1 3.03Å; R718-E771 IonicContact NH2-OE1 2.73Å; A767-E771 PolarHBondContact O-N 3.46Å; E768-E771 PolarHBondContact O-N 3.06Å; E771-I774 PolarHBondContact O-N 3.5Å; E771-G775 PolarHBondContact O-N 3.01Å
772	E	90.3	Very high	88	Confident	121 Å²	121	69.1 Å²	69.1	57%	0.565	36%	0.363	S	S	*	.	H	α-helix	trans	-55.4	-52.1	165	-70.4	179	142	0	0	110.7	E768 I774 G775 E776	E768-E772 WeakPolarHBondContact O-CG 3.25Å; E768-E772 PolarHBondContact O-N 3Å; E772-I774 VanDerWaalsContact C-N 3.28Å; E772-I774 PolarHBondContact O-N 2.98Å; E772-G775 CarbonylContact O-C 3.6Å; E772-G775 WeakPolarHBondContact O-CA 3.5Å; E772-G775 PolarHBondContact O-N 3.21Å; E772-E776 PolarHBondContact O-N 3.05Å
773	S	87.8	Confident	88.1	Confident	44 Å²	44	69 Å²	69	31%	0.308	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-31.7	178.4	-174.9	0	0	0	0	113.1	Q769 V777	Q769-S773 WeakPolarHBondContact O-CB 3.47Å; Q769-S773 PolarHBondContact O-N 2.95Å; S773-V777 WeakPolarHBondContact O-CB 3.45Å; S773-V777 WeakPolarHBondContact O-CG2 3.32Å; S773-V777 PolarHBondContact O-N 2.9Å; S773-V777 VanDerWaalsContact O-N 3.11Å
774	I	87.6	Confident	88.2	Confident	14 Å²	14	73.5 Å²	73.5	7%	0.072	39%	0.386	C	S	.	.	H	α-helix	trans	-66.2	-47.5	169.4	-76.4	165.3	0	0	0	110.2	E714 I717 R718 Y770 E771 E772 V777 L778	E714-I774 HydrophobicContact CG-CD1 4.06Å; E714-I774 HydrophobicContact CG-CG1 4.39Å; E714-I774 HydrophobicContact CG-CG2 4.01Å; I717-I774 HydrophobicContact CB-CD1 4.42Å; I717-I774 HydrophobicContact CB-CG1 4.03Å; I717-I774 HydrophobicContact CD1-CG1 4.07Å; I717-I774 HydrophobicContact CG2-CD1 4.08Å; I717-I774 HydrophobicContact CG2-CG1 3.71Å; R718-I774 HydrophobicContact CG-CD1 3.77Å; Y770-I774 WeakPolarHBondContact O-CD1 3.45Å; Y770-I774 WeakPolarHBondContact O-CG1 3.43Å; Y770-I774 PolarHBondContact O-N 3.03Å; Y770-I774 VanDerWaalsContact O-N 3.13Å; E771-I774 PolarHBondContact O-N 3.5Å; E772-I774 VanDerWaalsContact C-N 3.28Å; E772-I774 PolarHBondContact O-N 2.98Å; I774-V777 PolarHBondContact O-N 3.48Å; I774-L778 HydrophobicContact CG2-CD1 3.77Å; I774-L778 HydrophobicContact CG2-CG 4.25Å; I774-L778 VanDerWaalsContact O-CG 3.22Å; I774-L778 WeakPolarHBondContact O-CG 3.45Å; I774-L778 PolarHBondContact O-N 3.14Å
775	G	87.8	Confident	88.2	Confident	34 Å²	34	72.1 Å²	72.1	35%	0.351	37%	0.371	S	S	.	.	H	α-helix	trans	-55	-54.8	177.4	0	0	0	0	0	112.5	E771 E772 V777 L778 E779	E771-G775 PolarHBondContact O-N 3.01Å; E772-G775 CarbonylContact O-C 3.6Å; E772-G775 WeakPolarHBondContact O-CA 3.5Å; E772-G775 PolarHBondContact O-N 3.21Å; G775-V777 VanDerWaalsContact C-N 3.31Å; G775-V777 PolarHBondContact O-N 3.46Å; G775-L778 PolarHBondContact O-N 3.41Å; G775-L778 VanDerWaalsContact O-N 3.16Å; G775-E779 PolarHBondContact O-N 3.49Å
776	E	89.1	Confident	88.2	Confident	121 Å²	121	73.6 Å²	73.6	57%	0.565	38%	0.376	S	S	*	.	H	α-helix	trans	-54.4	-45.5	175.7	-71.2	-171.3	146.8	0	0	112	E772 L778 N780	E772-E776 PolarHBondContact O-N 3.05Å; E776-L778 VanDerWaalsContact C-N 3.34Å; E776-L778 PolarHBondContact O-N 3.11Å; E776-N780 WeakPolarHBondContact O-CB 3.46Å; E776-N780 PolarHBondContact O-N 3.49Å; E776-N780 PolarHBondContact O-ND2 2.84Å
777	V	86.4	Confident	88.4	Confident	49 Å²	49	76.2 Å²	76.2	30%	0.297	39%	0.393	S	S	.	.	H	α-helix	trans	-69.2	-31.3	-177.8	166.7	0	0	0	0	111.9	I717 S773 I774 G775 Q781	I717-V777 HydrophobicContact CD1-CB 4.2Å; I717-V777 HydrophobicContact CD1-CG1 4.04Å; I717-V777 HydrophobicContact CD1-CG2 4.21Å; S773-V777 WeakPolarHBondContact O-CB 3.45Å; S773-V777 WeakPolarHBondContact O-CG2 3.32Å; S773-V777 PolarHBondContact O-N 2.9Å; S773-V777 VanDerWaalsContact O-N 3.11Å; I774-V777 PolarHBondContact O-N 3.48Å; G775-V777 VanDerWaalsContact C-N 3.31Å; G775-V777 PolarHBondContact O-N 3.46Å; V777-Q781 WeakPolarHBondContact O-CB 3.49Å; V777-Q781 WeakPolarHBondContact O-CG 3.49Å; V777-Q781 PolarHBondContact O-NE2 3.44Å
778	L	85.2	Confident	88.7	Confident	60 Å²	60	80 Å²	80	31%	0.314	40%	0.4	S	S	.	.	H	α-helix	trans	-70	-56	172.3	-67.3	170.6	0	0	0	110.5	L710 I774 G775 E776 N780 Q781 T782	L710-L778 HydrophobicContact CB-CD2 3.67Å; L710-L778 HydrophobicContact CD1-CD2 4.01Å; L710-L778 HydrophobicContact CD2-CD2 4.09Å; L710-L778 HydrophobicContact CG-CD2 4.12Å; I774-L778 HydrophobicContact CG2-CD1 3.77Å; I774-L778 HydrophobicContact CG2-CG 4.25Å; I774-L778 VanDerWaalsContact O-CG 3.22Å; I774-L778 WeakPolarHBondContact O-CG 3.45Å; I774-L778 PolarHBondContact O-N 3.14Å; G775-L778 PolarHBondContact O-N 3.41Å; G775-L778 VanDerWaalsContact O-N 3.16Å; E776-L778 VanDerWaalsContact C-N 3.34Å; E776-L778 PolarHBondContact O-N 3.11Å; L778-N780 PolarHBondContact O-N 3.41Å; L778-Q781 PolarHBondContact O-N 2.97Å; L778-Q781 VanDerWaalsContact O-N 3.08Å; L778-T782 PolarHBondContact O-N 2.96Å; L778-T782 PolarHBondContact O-OG1 3.48Å
779	E	87.8	Confident	88.7	Confident	132 Å²	132	75.8 Å²	75.8	62%	0.617	38%	0.381	S	S	*	.	H	α-helix	trans	-59.3	-49.3	-176.9	-175.9	177	-173.1	0	0	112.1	G775 Q781 T782 V783	G775-E779 PolarHBondContact O-N 3.49Å; E779-Q781 PolarHBondContact O-N 3Å; E779-Q781 VanDerWaalsContact O-N 3.1Å; E779-T782 PolarHBondContact O-N 3.03Å; E779-V783 PolarHBondContact O-N 3.2Å
780	N	88.9	Confident	88.8	Confident	84 Å²	84	77.4 Å²	77.4	45%	0.449	39%	0.388	S	S	.	.	H	α-helix	trans	-59.7	-25.1	177.8	-85.2	-88.8	0	0	0	113.1	E776 L778 K784	E776-N780 WeakPolarHBondContact O-CB 3.46Å; E776-N780 PolarHBondContact O-N 3.49Å; E776-N780 PolarHBondContact O-ND2 2.84Å; L778-N780 PolarHBondContact O-N 3.41Å; N780-K784 VanDerWaalsContact O-CB 3.23Å; N780-K784 WeakPolarHBondContact O-CB 3.27Å; N780-K784 WeakPolarHBondContact O-CD 3.34Å; N780-K784 WeakPolarHBondContact O-CG 3.46Å; N780-K784 PolarHBondContact O-N 3.4Å
781	Q	86.2	Confident	89	Confident	46 Å²	46	79.9 Å²	79.9	22%	0.215	40%	0.402	C	S	.	.	H	α-helix	trans	-90.1	-23.9	176.8	-76.3	179.7	91.7	0	0	113.4	Q706 L710 V777 L778 E779 L785	Q706-Q781 PolarHBondContact NE2-O 3.31Å; L710-Q781 HydrophobicContact CD2-CB 3.65Å; L710-Q781 HydrophobicContact CD2-CG 4.34Å; V777-Q781 WeakPolarHBondContact O-CB 3.49Å; V777-Q781 WeakPolarHBondContact O-CG 3.49Å; V777-Q781 PolarHBondContact O-NE2 3.44Å; L778-Q781 PolarHBondContact O-N 2.97Å; L778-Q781 VanDerWaalsContact O-N 3.08Å; E779-Q781 PolarHBondContact O-N 3Å; E779-Q781 VanDerWaalsContact O-N 3.1Å; Q781-L785 PolarHBondContact O-N 2.75Å
782	T	86.4	Confident	89.1	Confident	44 Å²	44	76.2 Å²	76.2	27%	0.27	39%	0.385	S	S	.	.	H	α-helix	trans	-67.8	-55.9	168.6	-54.7	0	0	0	0	109.9	L778 E779 K784 L785 E786	L778-T782 PolarHBondContact O-N 2.96Å; L778-T782 PolarHBondContact O-OG1 3.48Å; E779-T782 PolarHBondContact O-N 3.03Å; T782-K784 VanDerWaalsContact C-N 3.28Å; T782-K784 PolarHBondContact O-N 2.92Å; T782-L785 PolarHBondContact O-N 2.67Å; T782-E786 PolarHBondContact O-N 3.46Å
783	V	89.4	Confident	89.2	Confident	72 Å²	72	72.4 Å²	72.4	44%	0.436	37%	0.374	S	S	.	.	H	α-helix	trans	-58.6	-38.7	179	178.1	0	0	0	0	111.7	E779 L785 E786 T787	E779-V783 PolarHBondContact O-N 3.2Å; V783-L785 VanDerWaalsContact C-N 3.35Å; V783-L785 PolarHBondContact O-N 3.42Å; V783-E786 PolarHBondContact O-N 3.05Å; V783-T787 HydrophobicContact CG1-CG2 4.24Å; V783-T787 WeakPolarHBondContact O-CB 3.44Å; V783-T787 WeakPolarHBondContact O-CG2 3.36Å; V783-T787 PolarHBondContact O-N 3.03Å; V783-T787 PolarHBondContact O-OG1 2.92Å
784	K	89.4	Confident	89.6	Confident	133 Å²	133	76.1 Å²	76.1	58%	0.578	38%	0.384	S	S	*	.	H	α-helix	trans	-69.9	-24.8	176	-76.9	171.6	-166.5	167.8	0	114.3	N780 T782 W788	N780-K784 VanDerWaalsContact O-CB 3.23Å; N780-K784 WeakPolarHBondContact O-CB 3.27Å; N780-K784 WeakPolarHBondContact O-CD 3.34Å; N780-K784 WeakPolarHBondContact O-CG 3.46Å; N780-K784 PolarHBondContact O-N 3.4Å; T782-K784 VanDerWaalsContact C-N 3.28Å; T782-K784 PolarHBondContact O-N 2.92Å; K784-W788 WeakPolarHBondContact O-CB 3.29Å
785	L	88.3	Confident	89.9	Confident	29 Å²	29	81 Å²	81	15%	0.152	41%	0.407	C	S	.	.	H	α-helix	trans	-77.3	-45.9	171.8	-178	62.3	0	0	0	110.4	Q702 V703 Q706 Q781 T782 V783 W788 Q789	Q702-L785 HydrophobicContact CB-CD1 4.3Å; Q702-L785 HydrophobicContact CB-CD2 4.47Å; V703-L785 HydrophobicContact CG2-CD2 4.19Å; Q706-L785 HydrophobicContact CB-CD2 4.1Å; Q706-L785 HydrophobicContact CG-CD2 4.2Å; Q781-L785 PolarHBondContact O-N 2.75Å; T782-L785 PolarHBondContact O-N 2.67Å; V783-L785 VanDerWaalsContact C-N 3.35Å; V783-L785 PolarHBondContact O-N 3.42Å; L785-W788 PolarHBondContact O-N 2.92Å; L785-Q789 HydrophobicContact CD1-CG 4.27Å; L785-Q789 HydrophobicContact CG-CG 4.46Å; L785-Q789 WeakPolarHBondContact O-CG 3.39Å; L785-Q789 PolarHBondContact O-N 3.31Å
786	E	89.1	Confident	90.1	Very high	108 Å²	108	80.9 Å²	80.9	51%	0.505	40%	0.4	S	S	.	.	H	α-helix	trans	-62.5	-51.9	-177.5	-67.9	171.1	152.6	0	0	111.5	T782 V783 W788 Q789 E790	T782-E786 PolarHBondContact O-N 3.46Å; V783-E786 PolarHBondContact O-N 3.05Å; E786-W788 VanDerWaalsContact C-N 3.3Å; E786-W788 PolarHBondContact O-N 3.47Å; E786-Q789 PolarHBondContact O-N 3.21Å; E786-Q789 VanDerWaalsContact O-N 3.08Å; E786-E790 PolarHBondContact O-N 3.32Å
787	T	92.1	Very high	90.3	Very high	73 Å²	73	81.2 Å²	81.2	45%	0.448	40%	0.399	S	S	.	.	H	α-helix	trans	-58.8	-38.8	176.2	49.6	0	0	0	0	112.8	V783 E791	V783-T787 HydrophobicContact CG1-CG2 4.24Å; V783-T787 WeakPolarHBondContact O-CB 3.44Å; V783-T787 WeakPolarHBondContact O-CG2 3.36Å; V783-T787 PolarHBondContact O-N 3.03Å; V783-T787 PolarHBondContact O-OG1 2.92Å; T787-E791 WeakPolarHBondContact O-CB 3.45Å; T787-E791 PolarHBondContact O-N 3.11Å
788	W	90.8	Very high	90.7	Very high	111 Å²	111	83.4 Å²	83.4	42%	0.42	41%	0.406	S	S	.	.	H	α-helix	trans	-67.5	-36.3	175.5	-177.7	88.7	0	0	0	112.6	K784 L785 E786 E792	K784-W788 WeakPolarHBondContact O-CB 3.29Å; L785-W788 PolarHBondContact O-N 2.92Å; E786-W788 VanDerWaalsContact C-N 3.3Å; E786-W788 PolarHBondContact O-N 3.47Å; W788-E792 VanDerWaalsContact CH2-CD 3.43Å; W788-E792 WeakPolarHBondContact CH2-OE1 2.86Å; W788-E792 VanDerWaalsContact CH2-OE2 3.28Å; W788-E792 WeakPolarHBondContact CH2-OE2 3.32Å; W788-E792 WeakPolarHBondContact CZ3-OE2 3.37Å; W788-E792 WeakPolarHBondContact O-CB 3.47Å; W788-E792 PolarHBondContact O-N 3.36Å
789	Q	90.8	Very high	91.1	Very high	26 Å²	26	86 Å²	86	12%	0.121	42%	0.415	C	S	.	.	H	α-helix	trans	-70.2	-40.5	175.7	-73.1	-175.2	-10.6	0	0	112.1	H699 L785 E786 A793	H699-Q789 HydrophobicContact CB-CG 4.25Å; H699-Q789 PolarHBondContact CE1-O 3.01Å; H699-Q789 VanDerWaalsContact CE1-O 3.23Å; H699-Q789 PolarHBondContact O-NE2 3.2Å; H699-Q789 VanDerWaalsContact O-NE2 3.17Å; L785-Q789 HydrophobicContact CD1-CG 4.27Å; L785-Q789 HydrophobicContact CG-CG 4.46Å; L785-Q789 WeakPolarHBondContact O-CG 3.39Å; L785-Q789 PolarHBondContact O-N 3.31Å; E786-Q789 PolarHBondContact O-N 3.21Å; E786-Q789 VanDerWaalsContact O-N 3.08Å; Q789-A793 VanDerWaalsContact O-CB 3.27Å; Q789-A793 WeakPolarHBondContact O-CB 3.44Å; Q789-A793 PolarHBondContact O-N 2.95Å
790	E	92.3	Very high	91.3	Very high	147 Å²	147	79.9 Å²	79.9	69%	0.687	39%	0.387	S	S	*	.	H	α-helix	trans	-61.3	-44	172.7	-70.2	-166.9	148	0	0	111.8	E786 A793 K794	E786-E790 PolarHBondContact O-N 3.32Å; E790-A793 PolarHBondContact O-N 3.42Å; E790-K794 WeakPolarHBondContact O-CB 3.28Å; E790-K794 PolarHBondContact O-N 3.18Å
791	E	93.5	Very high	91.5	Very high	115 Å²	115	79.3 Å²	79.3	54%	0.537	38%	0.384	S	S	.	.	H	α-helix	trans	-69.9	-38.9	-179.5	-168.5	157.1	-128	0	0	112	T787 K794 Q795	T787-E791 WeakPolarHBondContact O-CB 3.45Å; T787-E791 PolarHBondContact O-N 3.11Å; E791-K794 PolarHBondContact O-N 3.49Å; E791-Q795 WeakPolarHBondContact O-CB 3.24Å; E791-Q795 VanDerWaalsContact O-CG 3.28Å; E791-Q795 WeakPolarHBondContact O-CG 3.5Å; E791-Q795 PolarHBondContact O-N 2.96Å
792	E	92.5	Very high	91.9	Very high	38 Å²	38	83 Å²	83	18%	0.178	40%	0.401	C	S	.	.	H	α-helix	trans	-64.2	-39.4	171.2	-174.3	172.8	-118.9	0	0	112	L695 K698 H699 W788 T796	L695-E792 HydrophobicContact CD1-CG 4.01Å; L695-E792 WeakPolarHBondContact CD1-OE2 3.49Å; K698-E792 IonicContact NZ-OE1 3.59Å; K698-E792 PolarHBondContact NZ-OE1 2.78Å; K698-E792 IonicContact NZ-OE2 2.87Å; K698-E792 PolarHBondContact NZ-OE2 3.4Å; H699-E792 IonicContact CD2-OE2 3.16Å; H699-E792 IonicContact CE1-OE2 2.71Å; H699-E792 IonicContact NE2-OE2 3.96Å; H699-E792 PolarHBondContact NE2-OE2 3.01Å; W788-E792 VanDerWaalsContact CH2-CD 3.43Å; W788-E792 WeakPolarHBondContact CH2-OE1 2.86Å; W788-E792 VanDerWaalsContact CH2-OE2 3.28Å; W788-E792 WeakPolarHBondContact CH2-OE2 3.32Å; W788-E792 WeakPolarHBondContact CZ3-OE2 3.37Å; W788-E792 WeakPolarHBondContact O-CB 3.47Å; W788-E792 PolarHBondContact O-N 3.36Å; E792-T796 VanDerWaalsContact O-CB 3.29Å; E792-T796 WeakPolarHBondContact O-CB 3.49Å; E792-T796 PolarHBondContact O-N 3.22Å; E792-T796 PolarHBondContact O-OG1 3.02Å
793	A	92.9	Very high	92.1	Very high	40 Å²	40	83.4 Å²	83.4	33%	0.331	40%	0.399	S	S	.	.	H	α-helix	trans	-65.7	-40.7	175.6	0	0	0	0	0	112.4	L695 Q789 E790 K797	L695-A793 HydrophobicContact CD2-CB 4.19Å; Q789-A793 VanDerWaalsContact O-CB 3.27Å; Q789-A793 WeakPolarHBondContact O-CB 3.44Å; Q789-A793 PolarHBondContact O-N 2.95Å; E790-A793 PolarHBondContact O-N 3.42Å; A793-K797 WeakPolarHBondContact O-CB 3.26Å; A793-K797 PolarHBondContact O-N 3.44Å
794	K	94.3	Very high	92.2	Very high	122 Å²	122	81.8 Å²	81.8	53%	0.53	39%	0.388	S	S	.	.	H	α-helix	trans	-62.9	-53.3	174.5	-179.6	-176.7	167.9	-171.2	0	111.3	E790 E791 T796 K797 E798	E790-K794 WeakPolarHBondContact O-CB 3.28Å; E790-K794 PolarHBondContact O-N 3.18Å; E791-K794 PolarHBondContact O-N 3.49Å; K794-T796 VanDerWaalsContact C-N 3.29Å; K794-T796 PolarHBondContact O-N 2.96Å; K794-K797 PolarHBondContact O-N 3.33Å; K794-K797 VanDerWaalsContact O-N 3.11Å; K794-E798 WeakPolarHBondContact CE-OE1 3.23Å; K794-E798 IonicContact NZ-OE1 3.32Å; K794-E798 WeakPolarHBondContact O-CG 3.36Å; K794-E798 PolarHBondContact O-N 2.73Å
795	Q	94.3	Very high	92.4	Very high	116 Å²	116	81.6 Å²	81.6	54%	0.542	39%	0.389	S	S	.	.	H	α-helix	trans	-58.5	-41.3	178.7	-71.2	175.2	19.7	0	0	111.8	E791 E798 K799	E791-Q795 WeakPolarHBondContact O-CB 3.24Å; E791-Q795 VanDerWaalsContact O-CG 3.28Å; E791-Q795 WeakPolarHBondContact O-CG 3.5Å; E791-Q795 PolarHBondContact O-N 2.96Å; Q795-E798 PolarHBondContact O-N 3.43Å; Q795-K799 WeakPolarHBondContact O-CB 3.45Å; Q795-K799 PolarHBondContact O-N 2.87Å
796	T	92.3	Very high	92.5	Very high	33 Å²	33	86.3 Å²	86.3	20%	0.202	41%	0.414	C	S	.	.	H	α-helix	trans	-64	-41.8	176.4	-57.3	0	0	0	0	111.6	V691 L695 E792 K794 L800	V691-T796 HydrophobicContact CG1-CG2 3.85Å; L695-T796 HydrophobicContact CD2-CG2 4.08Å; E792-T796 VanDerWaalsContact O-CB 3.29Å; E792-T796 WeakPolarHBondContact O-CB 3.49Å; E792-T796 PolarHBondContact O-N 3.22Å; E792-T796 PolarHBondContact O-OG1 3.02Å; K794-T796 VanDerWaalsContact C-N 3.29Å; K794-T796 PolarHBondContact O-N 2.96Å; T796-L800 HydrophobicContact CG2-CD1 4.06Å; T796-L800 HydrophobicContact CG2-CG 4.44Å; T796-L800 WeakPolarHBondContact O-CB 3.4Å; T796-L800 VanDerWaalsContact O-CG 3.25Å; T796-L800 WeakPolarHBondContact O-CG 3.39Å; T796-L800 PolarHBondContact O-N 2.93Å
797	K	93.8	Very high	92.6	Very high	128 Å²	128	82.6 Å²	82.6	56%	0.557	40%	0.397	S	S	*	.	H	α-helix	trans	-65.9	-43.3	176.9	-174.4	-177.1	177.2	-173.5	0	112.1	A793 K794 L800 N801	A793-K797 WeakPolarHBondContact O-CB 3.26Å; A793-K797 PolarHBondContact O-N 3.44Å; K794-K797 PolarHBondContact O-N 3.33Å; K794-K797 VanDerWaalsContact O-N 3.11Å; K797-L800 PolarHBondContact O-N 2.89Å; K797-N801 PolarHBondContact O-N 2.82Å; K797-N801 PolarHBondContact O-OD1 2.59Å
798	E	94.7	Very high	92.6	Very high	94 Å²	94	84.4 Å²	84.4	44%	0.439	40%	0.402	S	S	.	.	H	α-helix	trans	-61.7	-44.6	176.7	-73.1	172.1	177.1	0	0	111.1	K794 Q795 N801 Q802	K794-E798 WeakPolarHBondContact CE-OE1 3.23Å; K794-E798 IonicContact NZ-OE1 3.32Å; K794-E798 WeakPolarHBondContact O-CG 3.36Å; K794-E798 PolarHBondContact O-N 2.73Å; Q795-E798 PolarHBondContact O-N 3.43Å; E798-N801 PolarHBondContact O-N 3.03Å; E798-Q802 WeakPolarHBondContact O-CG 3.37Å; E798-Q802 PolarHBondContact O-N 2.89Å
799	K	93.1	Very high	92.6	Very high	115 Å²	115	82 Å²	82	50%	0.5	41%	0.406	S	S	.	.	H	α-helix	trans	-62.2	-45.7	175.1	-175.3	174.4	-177.2	-75.9	0	112.9	Q795 N801 Q802 E803	Q795-K799 WeakPolarHBondContact O-CB 3.45Å; Q795-K799 PolarHBondContact O-N 2.87Å; K799-N801 VanDerWaalsContact C-N 3.28Å; K799-N801 PolarHBondContact O-N 2.94Å; K799-Q802 PolarHBondContact O-N 3.34Å; K799-E803 IonicContact NZ-OE1 3.22Å; K799-E803 PolarHBondContact NZ-OE1 3.11Å; K799-E803 WeakPolarHBondContact O-CG 3.37Å; K799-E803 PolarHBondContact O-N 2.99Å
800	L	92.3	Very high	92.5	Very high	4 Å²	4	86.1 Å²	86.1	2%	0.021	42%	0.421	C	S	.	.	H	α-helix	trans	-63.6	-33.5	177.9	-72.7	173.5	0	0	0	112.2	Y687 M688 V691 Q692 T796 K797 L804	Y687-L800 HydrophobicContact CD1-CD2 4.47Å; Y687-L800 HydrophobicContact CE1-CD2 3.92Å; M688-L800 HydrophobicContact CB-CD1 4.42Å; M688-L800 HydrophobicContact CB-CD2 4.45Å; M688-L800 HydrophobicContact CE-CB 4.08Å; M688-L800 HydrophobicContact CG-CB 4.24Å; M688-L800 HydrophobicContact CG-CD2 4.1Å; V691-L800 HydrophobicContact CB-CD1 4.18Å; V691-L800 HydrophobicContact CB-CD2 4.25Å; V691-L800 HydrophobicContact CG1-CD1 4.07Å; V691-L800 HydrophobicContact CG1-CD2 4.28Å; V691-L800 HydrophobicContact CG2-CD2 4.35Å; Q692-L800 HydrophobicContact CG-CD1 3.98Å; T796-L800 HydrophobicContact CG2-CD1 4.06Å; T796-L800 HydrophobicContact CG2-CG 4.44Å; T796-L800 WeakPolarHBondContact O-CB 3.4Å; T796-L800 VanDerWaalsContact O-CG 3.25Å; T796-L800 WeakPolarHBondContact O-CG 3.39Å; T796-L800 PolarHBondContact O-N 2.93Å; K797-L800 PolarHBondContact O-N 2.89Å; L800-L804 PolarHBondContact O-N 3.03Å; L800-L804 VanDerWaalsContact O-N 3.17Å
801	N	93.4	Very high	92.5	Very high	72 Å²	72	80 Å²	80	39%	0.385	39%	0.393	S	S	.	.	H	α-helix	trans	-68.5	-44	172.7	-79	11.7	0	0	0	111.8	K797 E798 K799 E803 L804 E805	K797-N801 PolarHBondContact O-N 2.82Å; K797-N801 PolarHBondContact O-OD1 2.59Å; E798-N801 PolarHBondContact O-N 3.03Å; K799-N801 VanDerWaalsContact C-N 3.28Å; K799-N801 PolarHBondContact O-N 2.94Å; N801-E803 VanDerWaalsContact C-N 3.3Å; N801-E803 PolarHBondContact O-N 3.47Å; N801-L804 WeakPolarHBondContact O-CB 3.28Å; N801-L804 PolarHBondContact O-N 3.26Å; N801-L804 VanDerWaalsContact O-N 3.09Å; N801-E805 PolarHBondContact O-N 2.94Å
802	Q	93.7	Very high	92.4	Very high	124 Å²	124	77.9 Å²	77.9	58%	0.579	39%	0.391	S	S	*	.	H	α-helix	trans	-60.2	-39.2	175.6	-70.6	166.3	4.4	0	0	112.1	E798 K799 L804 E805 L806	E798-Q802 WeakPolarHBondContact O-CG 3.37Å; E798-Q802 PolarHBondContact O-N 2.89Å; K799-Q802 PolarHBondContact O-N 3.34Å; Q802-L804 VanDerWaalsContact C-N 3.33Å; Q802-L804 PolarHBondContact O-N 3.44Å; Q802-E805 PolarHBondContact O-N 3.41Å; Q802-L806 WeakPolarHBondContact O-CB 3.37Å; Q802-L806 PolarHBondContact O-N 2.93Å
803	E	90.2	Very high	92.3	Very high	51 Å²	51	80.4 Å²	80.4	24%	0.238	40%	0.401	C	S	.	.	H	α-helix	trans	-64.4	-35.7	174.1	-71.7	171.9	-178	0	0	112.4	Y687 K799 N801 L807	Y687-E803 WeakPolarHBondContact CE1-OE2 3.42Å; K799-E803 IonicContact NZ-OE1 3.22Å; K799-E803 PolarHBondContact NZ-OE1 3.11Å; K799-E803 WeakPolarHBondContact O-CG 3.37Å; K799-E803 PolarHBondContact O-N 2.99Å; N801-E803 VanDerWaalsContact C-N 3.3Å; N801-E803 PolarHBondContact O-N 3.47Å; E803-L807 PolarHBondContact O-N 3.24Å; E803-L807 VanDerWaalsContact O-N 3.17Å
804	L	92.2	Very high	92.1	Very high	38 Å²	38	80 Å²	80	20%	0.199	39%	0.392	C	S	.	.	H	α-helix	trans	-72.1	-42.1	174.9	179.6	62.9	0	0	0	112.4	L681 Q684 M688 L800 N801 Q802 L806 L807 M808	L681-L804 HydrophobicContact CD1-CD1 3.7Å; Q684-L804 HydrophobicContact CG-CD1 4.01Å; M688-L804 HydrophobicContact CE-CB 4.32Å; M688-L804 HydrophobicContact CE-CD2 4.06Å; M688-L804 HydrophobicContact SD-CB 4.19Å; M688-L804 HydrophobicContact SD-CD2 4.11Å; L800-L804 PolarHBondContact O-N 3.03Å; L800-L804 VanDerWaalsContact O-N 3.17Å; N801-L804 WeakPolarHBondContact O-CB 3.28Å; N801-L804 PolarHBondContact O-N 3.26Å; N801-L804 VanDerWaalsContact O-N 3.09Å; Q802-L804 VanDerWaalsContact C-N 3.33Å; Q802-L804 PolarHBondContact O-N 3.44Å; L804-L806 VanDerWaalsContact C-N 3.32Å; L804-L806 PolarHBondContact O-N 3.33Å; L804-L807 PolarHBondContact O-N 3.05Å; L804-M808 WeakPolarHBondContact O-CG 3.19Å; L804-M808 PolarHBondContact O-N 2.79Å
805	E	93.5	Very high	92	Very high	129 Å²	129	78.6 Å²	78.6	60%	0.603	38%	0.383	S	S	*	.	H	α-helix	trans	-61.2	-41.1	174.6	-74.3	175.4	-178.3	0	0	111.4	N801 Q802 L807 M808 A809	N801-E805 PolarHBondContact O-N 2.94Å; Q802-E805 PolarHBondContact O-N 3.41Å; E805-L807 VanDerWaalsContact C-N 3.35Å; E805-L807 PolarHBondContact O-N 2.87Å; E805-M808 PolarHBondContact O-N 3Å; E805-A809 WeakPolarHBondContact O-CB 3.39Å; E805-A809 PolarHBondContact O-N 2.93Å
806	L	91.6	Very high	91.9	Very high	128 Å²	128	78.3 Å²	78.3	67%	0.67	38%	0.383	S	S	*	.	H	α-helix	trans	-62.6	-40.5	175.4	-168.8	70.9	0	0	0	111.8	Q802 L804 A809 Y810	Q802-L806 WeakPolarHBondContact O-CB 3.37Å; Q802-L806 PolarHBondContact O-N 2.93Å; L804-L806 VanDerWaalsContact C-N 3.32Å; L804-L806 PolarHBondContact O-N 3.33Å; L806-A809 PolarHBondContact O-N 3.22Å; L806-Y810 WeakPolarHBondContact O-CB 3.33Å; L806-Y810 PolarHBondContact O-N 2.79Å
807	L	89.6	Confident	91.7	Very high	30 Å²	30	80.3 Å²	80.3	16%	0.157	39%	0.391	C	S	.	.	H	α-helix	trans	-63.6	-45.8	173.5	178.4	61.8	0	0	0	111.5	E680 Q684 E803 L804 E805 A809 Y810 Q811	E680-L807 HydrophobicContact CB-CD1 4.34Å; E680-L807 HydrophobicContact CB-CD2 4.5Å; Q684-L807 HydrophobicContact CB-CD2 3.62Å; Q684-L807 HydrophobicContact CG-CD2 3.92Å; E803-L807 PolarHBondContact O-N 3.24Å; E803-L807 VanDerWaalsContact O-N 3.17Å; L804-L807 PolarHBondContact O-N 3.05Å; E805-L807 VanDerWaalsContact C-N 3.35Å; E805-L807 PolarHBondContact O-N 2.87Å; L807-A809 VanDerWaalsContact C-N 3.33Å; L807-A809 PolarHBondContact O-N 3.14Å; L807-Y810 WeakPolarHBondContact O-CB 3.42Å; L807-Y810 PolarHBondContact O-N 3.16Å; L807-Q811 HydrophobicContact CD1-CG 4.26Å; L807-Q811 WeakPolarHBondContact O-CG 3.32Å; L807-Q811 PolarHBondContact O-N 3.28Å
808	M	92.3	Very high	91.6	Very high	112 Å²	112	75.3 Å²	75.3	55%	0.552	37%	0.369	S	S	*	.	H	α-helix	trans	-62.9	-39	177.7	-70.6	-178.9	65.6	0	0	112.2	L804 E805 S812	L804-M808 WeakPolarHBondContact O-CG 3.19Å; L804-M808 PolarHBondContact O-N 2.79Å; E805-M808 PolarHBondContact O-N 3Å; M808-S812 WeakPolarHBondContact O-CB 3.27Å; M808-S812 PolarHBondContact O-N 3.03Å
809	A	91.8	Very high	91.5	Very high	60 Å²	60	74.4 Å²	74.4	50%	0.496	37%	0.367	S	S	.	.	H	α-helix	trans	-64.7	-40.1	173.5	0	0	0	0	0	112.1	E805 L806 L807 S812 K813	E805-A809 WeakPolarHBondContact O-CB 3.39Å; E805-A809 PolarHBondContact O-N 2.93Å; L806-A809 PolarHBondContact O-N 3.22Å; L807-A809 VanDerWaalsContact C-N 3.33Å; L807-A809 PolarHBondContact O-N 3.14Å; A809-S812 WeakPolarHBondContact O-CB 3.39Å; A809-S812 PolarHBondContact O-N 2.72Å; A809-K813 PolarHBondContact O-N 3.48Å
810	Y	89	Confident	91.4	Very high	113 Å²	113	73 Å²	73	44%	0.443	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-46	175.7	178.6	-108.3	0	0	0	112.3	L806 L807 S812 K813 Q814	L806-Y810 WeakPolarHBondContact O-CB 3.33Å; L806-Y810 PolarHBondContact O-N 2.79Å; L807-Y810 WeakPolarHBondContact O-CB 3.42Å; L807-Y810 PolarHBondContact O-N 3.16Å; Y810-S812 VanDerWaalsContact C-N 3.33Å; Y810-S812 PolarHBondContact O-N 3Å; Y810-K813 WeakPolarHBondContact O-CB 3.49Å; Y810-K813 PolarHBondContact O-N 3.1Å; Y810-K813 VanDerWaalsContact O-N 3.16Å; Y810-Q814 HydrophobicContact CE1-CG 4.23Å; Y810-Q814 PolarHBondContact O-N 2.87Å; Y810-Q814 PolarHBondContact OH-NE2 2.97Å
811	Q	90.6	Very high	91.3	Very high	19 Å²	19	77 Å²	77	9%	0.089	38%	0.381	C	S	.	.	H	α-helix	trans	-63.4	-36.9	174.9	-68.9	-175.1	-9.6	0	0	112.5	H677 E680 L807 R815	H677-Q811 VanDerWaalsContact CA-NE2 3.33Å; H677-Q811 HydrophobicContact CB-CG 4.3Å; H677-Q811 VanDerWaalsContact CD2-CG 3.47Å; H677-Q811 WeakPolarHBondContact CD2-CG 3.38Å; H677-Q811 PolarHBondContact NE2-O 2.78Å; H677-Q811 PolarHBondContact O-NE2 3.35Å; E680-Q811 WeakPolarHBondContact OE2-CG 3.47Å; E680-Q811 PolarHBondContact OE2-NE2 3.41Å; L807-Q811 HydrophobicContact CD1-CG 4.26Å; L807-Q811 WeakPolarHBondContact O-CG 3.32Å; L807-Q811 PolarHBondContact O-N 3.28Å; Q811-R815 WeakPolarHBondContact O-CB 3.06Å; Q811-R815 PolarHBondContact O-N 2.91Å; Q811-R815 VanDerWaalsContact O-N 3.08Å
812	S	91.9	Very high	91.3	Very high	70 Å²	70	74.4 Å²	74.4	49%	0.49	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-43.5	172.2	-169.1	0	0	0	0	111.5	M808 A809 Y810 R815 M816	M808-S812 WeakPolarHBondContact O-CB 3.27Å; M808-S812 PolarHBondContact O-N 3.03Å; A809-S812 WeakPolarHBondContact O-CB 3.39Å; A809-S812 PolarHBondContact O-N 2.72Å; Y810-S812 VanDerWaalsContact C-N 3.33Å; Y810-S812 PolarHBondContact O-N 3Å; S812-R815 PolarHBondContact O-N 3.23Å; S812-M816 PolarHBondContact O-N 2.92Å
813	K	91.6	Very high	91.2	Very high	91 Å²	91	73 Å²	73	40%	0.396	36%	0.363	S	S	.	.	H	α-helix	trans	-64	-45.8	176.1	-169.5	-178.9	-176.8	-176	0	112.3	Y235 A809 Y810 R815 M816 Q817	Y235-K813 WeakPolarHBondContact OH-CE 3.48Å; Y235-K813 PolarHBondContact OH-NZ 3.48Å; A809-K813 PolarHBondContact O-N 3.48Å; Y810-K813 WeakPolarHBondContact O-CB 3.49Å; Y810-K813 PolarHBondContact O-N 3.1Å; Y810-K813 VanDerWaalsContact O-N 3.16Å; K813-R815 VanDerWaalsContact C-N 3.31Å; K813-R815 PolarHBondContact O-N 2.94Å; K813-M816 PolarHBondContact O-N 3.33Å; K813-Q817 WeakPolarHBondContact O-CG 3.16Å; K813-Q817 PolarHBondContact O-N 3.38Å
814	Q	87.6	Confident	91.3	Very high	30 Å²	30	78.5 Å²	78.5	14%	0.14	38%	0.382	C	S	.	.	H	α-helix	trans	-56.9	-45.6	175.5	-75.5	-167.8	-0.4	0	0	111.4	L673 Y810 Q817 M818	L673-Q814 HydrophobicContact CD1-CB 4.2Å; L673-Q814 VanDerWaalsContact CD1-OE1 3.28Å; Y810-Q814 HydrophobicContact CE1-CG 4.23Å; Y810-Q814 PolarHBondContact O-N 2.87Å; Y810-Q814 PolarHBondContact OH-NE2 2.97Å; Q814-Q817 PolarHBondContact O-N 2.86Å; Q814-M818 WeakPolarHBondContact O-CB 3.23Å; Q814-M818 PolarHBondContact O-N 3.27Å
815	R	92.2	Very high	91.3	Very high	93 Å²	93	79 Å²	79	35%	0.351	38%	0.383	S	S	.	.	H	α-helix	trans	-58.7	-51.3	177.1	-169.4	-173	-55.6	-78.9	-1.1	111.6	L673 H677 Q811 S812 K813 Q817 M818 D819	L673-R815 HydrophobicContact CD2-CB 4.22Å; L673-R815 HydrophobicContact CD2-CG 4.47Å; H677-R815 PolarHBondContact CE1-NH2 2.67Å; H677-R815 PolarHBondContact ND1-NH2 2.76Å; H677-R815 WeakPolarHBondContact NE2-CB 3.41Å; Q811-R815 WeakPolarHBondContact O-CB 3.06Å; Q811-R815 PolarHBondContact O-N 2.91Å; Q811-R815 VanDerWaalsContact O-N 3.08Å; S812-R815 PolarHBondContact O-N 3.23Å; K813-R815 VanDerWaalsContact C-N 3.31Å; K813-R815 PolarHBondContact O-N 2.94Å; R815-Q817 VanDerWaalsContact C-N 3.29Å; R815-Q817 PolarHBondContact O-N 3.01Å; R815-M818 HydrophobicContact CG-CE 4.08Å; R815-M818 WeakPolarHBondContact O-CB 3.39Å; R815-M818 PolarHBondContact O-N 3.42Å; R815-M818 VanDerWaalsContact O-N 3.1Å; R815-D819 VanDerWaalsContact O-CG 3.26Å; R815-D819 PolarHBondContact O-N 2.91Å
816	M	91.5	Very high	91.4	Very high	110 Å²	110	77.9 Å²	77.9	54%	0.542	38%	0.376	S	S	.	.	H	α-helix	trans	-59.9	-36.5	178.2	-173.6	-175.5	-67.6	0	0	112.8	S812 K813 Q820	S812-M816 PolarHBondContact O-N 2.92Å; K813-M816 PolarHBondContact O-N 3.33Å; M816-Q820 WeakPolarHBondContact O-CB 3.42Å; M816-Q820 VanDerWaalsContact O-CG 3.25Å; M816-Q820 WeakPolarHBondContact O-CG 3.32Å; M816-Q820 PolarHBondContact O-N 3.44Å
817	Q	89.4	Confident	91.5	Very high	76 Å²	76	75 Å²	75	36%	0.355	37%	0.366	S	S	.	.	H	α-helix	trans	-69	-38.3	175.3	-71.8	-177.6	-56.2	0	0	112.2	K813 Q814 R815 Q821	K813-Q817 WeakPolarHBondContact O-CG 3.16Å; K813-Q817 PolarHBondContact O-N 3.38Å; Q814-Q817 PolarHBondContact O-N 2.86Å; R815-Q817 VanDerWaalsContact C-N 3.29Å; R815-Q817 PolarHBondContact O-N 3.01Å; Q817-Q821 PolarHBondContact O-N 3.38Å
818	M	90.8	Very high	91.7	Very high	23 Å²	23	82.6 Å²	82.6	11%	0.113	39%	0.393	C	S	.	.	H	α-helix	trans	-67.6	-43.4	175.4	176.9	-80.5	-53	0	0	111.9	V670 L673 Q814 R815 Q821 H822	V670-M818 HydrophobicContact CG2-CE 3.99Å; V670-M818 HydrophobicContact CG2-SD 3.81Å; L673-M818 HydrophobicContact CD2-CB 4.24Å; L673-M818 HydrophobicContact CD2-CE 3.8Å; L673-M818 HydrophobicContact CD2-CG 4.29Å; Q814-M818 WeakPolarHBondContact O-CB 3.23Å; Q814-M818 PolarHBondContact O-N 3.27Å; R815-M818 HydrophobicContact CG-CE 4.08Å; R815-M818 WeakPolarHBondContact O-CB 3.39Å; R815-M818 PolarHBondContact O-N 3.42Å; R815-M818 VanDerWaalsContact O-N 3.1Å; M818-Q821 WeakPolarHBondContact O-CB 3.34Å; M818-Q821 PolarHBondContact O-N 3.31Å; M818-Q821 VanDerWaalsContact O-N 3.17Å; M818-H822 PolarHBondContact O-N 3.23Å; M818-H822 PolarHBondContact SD-CE1 3.32Å; M818-H822 PolarHBondContact SD-ND1 3.08Å; M818-H822 VanDerWaalsContact SD-ND1 3.36Å
819	D	92.3	Very high	91.7	Very high	74 Å²	74	78.4 Å²	78.4	40%	0.396	37%	0.373	S	S	.	.	H	α-helix	trans	-61.9	-45.6	174.7	-63	-36.6	0	0	0	110.8	R815 Q821 H822 D823	R815-D819 VanDerWaalsContact O-CG 3.26Å; R815-D819 PolarHBondContact O-N 2.91Å; D819-Q821 VanDerWaalsContact C-N 3.3Å; D819-Q821 PolarHBondContact O-N 3.29Å; D819-H822 PolarHBondContact O-N 2.96Å; D819-H822 VanDerWaalsContact O-N 3.14Å; D819-D823 PolarHBondContact O-N 3.16Å
820	Q	92	Very high	91.8	Very high	85 Å²	85	81.1 Å²	81.1	40%	0.397	38%	0.376	S	S	.	.	H	α-helix	trans	-61.2	-34.1	173.6	-76.5	179.1	25.3	0	0	113.2	M816 R824	M816-Q820 WeakPolarHBondContact O-CB 3.42Å; M816-Q820 VanDerWaalsContact O-CG 3.25Å; M816-Q820 WeakPolarHBondContact O-CG 3.32Å; M816-Q820 PolarHBondContact O-N 3.44Å; Q820-R824 VanDerWaalsContact O-CG 3.22Å; Q820-R824 WeakPolarHBondContact O-CG 3.35Å; Q820-R824 PolarHBondContact O-N 3.04Å; Q820-R824 VanDerWaalsContact O-N 3.15Å
821	Q	89.5	Confident	92	Very high	88 Å²	88	82.1 Å²	82.1	41%	0.411	38%	0.384	S	S	.	.	H	α-helix	trans	-68.1	-42.6	173.9	176.8	172.3	-10.6	0	0	110.9	Q817 M818 D819 D823 R824 E825	Q817-Q821 PolarHBondContact O-N 3.38Å; M818-Q821 WeakPolarHBondContact O-CB 3.34Å; M818-Q821 PolarHBondContact O-N 3.31Å; M818-Q821 VanDerWaalsContact O-N 3.17Å; D819-Q821 VanDerWaalsContact C-N 3.3Å; D819-Q821 PolarHBondContact O-N 3.29Å; Q821-D823 PolarHBondContact O-N 2.93Å; Q821-R824 PolarHBondContact O-N 3.17Å; Q821-E825 HydrophobicContact CG-CG 4.28Å; Q821-E825 PolarHBondContact NE2-OE1 3.07Å; Q821-E825 WeakPolarHBondContact O-CG 3.4Å; Q821-E825 PolarHBondContact O-N 2.68Å
822	H	93.1	Very high	92.2	Very high	18 Å²	18	86.6 Å²	86.6	8%	0.083	40%	0.403	C	S	.	.	H	α-helix	trans	-62.8	-40.8	177.4	-70.3	175.6	0	0	0	112.2	H666 R669 M818 D819 E825 K826	H666-H822 AromaticContact CD2-CD2 3.15Å; H666-H822 PolarHBondContact CD2-CD2 3.48Å; H666-H822 AromaticContact CD2-CE1 3.9Å; H666-H822 AromaticContact CD2-CG 3.6Å; H666-H822 AromaticContact CD2-NE2 3.37Å; H666-H822 PolarHBondContact CD2-NE2 2.93Å; H666-H822 AromaticContact CE1-CD2 3.86Å; H666-H822 AromaticContact CE1-CG 3.74Å; H666-H822 PolarHBondContact CE1-O 3.15Å; H666-H822 AromaticContact CG-CD2 3.64Å; H666-H822 AromaticContact CG-CE1 3.84Å; H666-H822 AromaticContact CG-CG 3.6Å; H666-H822 AromaticContact CG-ND1 3.74Å; H666-H822 AromaticContact CG-NE2 3.79Å; H666-H822 AromaticContact ND1-CG 3.72Å; H666-H822 AromaticContact NE2-CD2 3.3Å; H666-H822 PolarHBondContact NE2-CD2 2.77Å; H666-H822 VanDerWaalsContact NE2-CD2 3.3Å; H666-H822 AromaticContact NE2-CG 3.67Å; H666-H822 PolarHBondContact O-CE1 2.93Å; R669-H822 VanDerWaalsContact CD-NE2 3.29Å; R669-H822 WeakPolarHBondContact CD-NE2 3.27Å; R669-H822 PolarHBondContact NH1-CD2 3.17Å; R669-H822 PolarHBondContact NH1-NE2 3.41Å; M818-H822 PolarHBondContact O-N 3.23Å; M818-H822 PolarHBondContact SD-CE1 3.32Å; M818-H822 PolarHBondContact SD-ND1 3.08Å; M818-H822 VanDerWaalsContact SD-ND1 3.36Å; D819-H822 PolarHBondContact O-N 2.96Å; D819-H822 VanDerWaalsContact O-N 3.14Å; H822-E825 IonicContact CD2-OE2 2.67Å; H822-E825 PolarHBondContact O-N 2.98Å; H822-K826 WeakPolarHBondContact O-CB 3.32Å; H822-K826 PolarHBondContact O-N 3.43Å
823	D	92.7	Very high	92.2	Very high	95 Å²	95	84 Å²	84	51%	0.508	38%	0.384	S	S	.	.	H	α-helix	trans	-63.6	-40.8	173.7	-80.6	-30.5	0	0	0	112.3	D819 Q821 K826 S827	D819-D823 PolarHBondContact O-N 3.16Å; Q821-D823 PolarHBondContact O-N 2.93Å; D823-K826 PolarHBondContact O-N 3.14Å; D823-S827 WeakPolarHBondContact O-CB 3.18Å; D823-S827 PolarHBondContact O-N 3.17Å; D823-S827 PolarHBondContact O-OG 3.17Å
824	R	92.7	Very high	92.3	Very high	166 Å²	166	83.3 Å²	83.3	63%	0.626	39%	0.391	S	S	*	.	H	α-helix	trans	-64.7	-46.3	176.1	-71.2	170.3	-157.4	-176.9	8.2	112	Q820 Q821 K826 S827 R828	Q820-R824 VanDerWaalsContact O-CG 3.22Å; Q820-R824 WeakPolarHBondContact O-CG 3.35Å; Q820-R824 PolarHBondContact O-N 3.04Å; Q820-R824 VanDerWaalsContact O-N 3.15Å; Q821-R824 PolarHBondContact O-N 3.17Å; R824-K826 VanDerWaalsContact C-N 3.34Å; R824-S827 PolarHBondContact O-N 3.45Å; R824-R828 VanDerWaalsContact O-CB 3.32Å; R824-R828 WeakPolarHBondContact O-CB 3.48Å; R824-R828 PolarHBondContact O-N 3.35Å
825	E	92.2	Very high	92.6	Very high	48 Å²	48	87.4 Å²	87.4	22%	0.224	41%	0.413	C	S	.	.	H	α-helix	trans	-64.3	-39.9	178	-71.6	173.1	172.7	0	0	111.6	L662 H666 R669 Q821 H822 R828 L829	L662-E825 HydrophobicContact CD1-CB 4.17Å; H666-E825 IonicContact CD2-OE2 2.82Å; H666-E825 PolarHBondContact CD2-OE2 2.9Å; H666-E825 IonicContact CE1-OE2 3.94Å; H666-E825 IonicContact NE2-OE2 2.59Å; H666-E825 PolarHBondContact NE2-OE2 3.09Å; R669-E825 IonicContact CZ-OE1 3.78Å; R669-E825 IonicContact CZ-OE2 3.96Å; R669-E825 IonicContact NH1-OE1 2.87Å; R669-E825 PolarHBondContact NH1-OE1 3.48Å; R669-E825 IonicContact NH1-OE2 2.75Å; R669-E825 PolarHBondContact NH1-OE2 3.26Å; R669-E825 IonicContact NH2-OE1 2.72Å; R669-E825 PolarHBondContact NH2-OE1 3.09Å; R669-E825 IonicContact NH2-OE2 3.9Å; Q821-E825 HydrophobicContact CG-CG 4.28Å; Q821-E825 PolarHBondContact NE2-OE1 3.07Å; Q821-E825 WeakPolarHBondContact O-CG 3.4Å; Q821-E825 PolarHBondContact O-N 2.68Å; H822-E825 IonicContact CD2-OE2 2.67Å; H822-E825 PolarHBondContact O-N 2.98Å; E825-R828 PolarHBondContact O-N 3.35Å; E825-L829 PolarHBondContact O-N 2.96Å
826	K	94.2	Very high	92.7	Very high	107 Å²	107	85.9 Å²	85.9	47%	0.465	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-46.5	174.3	179.3	-177.3	171.7	-168.2	0	111.8	L662 H822 D823 R824 R828 L829 Q830	L662-K826 HydrophobicContact CD2-CB 4.4Å; H822-K826 WeakPolarHBondContact O-CB 3.32Å; H822-K826 PolarHBondContact O-N 3.43Å; D823-K826 PolarHBondContact O-N 3.14Å; R824-K826 VanDerWaalsContact C-N 3.34Å; K826-R828 PolarHBondContact O-N 3.47Å; K826-L829 PolarHBondContact O-N 3.11Å; K826-Q830 WeakPolarHBondContact O-CG 3.46Å; K826-Q830 PolarHBondContact O-N 3.03Å
827	S	94.1	Very high	92.8	Very high	66 Å²	66	82.5 Å²	82.5	46%	0.462	39%	0.394	S	S	.	.	H	α-helix	trans	-62.2	-43.1	177.2	-57.7	0	0	0	0	111.3	D823 R824 L829 Q830 E831	D823-S827 WeakPolarHBondContact O-CB 3.18Å; D823-S827 PolarHBondContact O-N 3.17Å; D823-S827 PolarHBondContact O-OG 3.17Å; R824-S827 PolarHBondContact O-N 3.45Å; S827-L829 VanDerWaalsContact C-N 3.34Å; S827-L829 PolarHBondContact O-N 2.77Å; S827-Q830 PolarHBondContact O-N 3.04Å; S827-E831 WeakPolarHBondContact O-CB 3.37Å; S827-E831 PolarHBondContact O-N 3.33Å
828	R	94	Very high	93	Very high	190 Å²	190	81.4 Å²	81.4	72%	0.717	40%	0.398	S	S	*	.	H	α-helix	trans	-65.1	-34.5	175.9	-168.2	179.4	-174.2	-170.1	2.3	112.7	R824 E825 K826 K832	R824-R828 VanDerWaalsContact O-CB 3.32Å; R824-R828 WeakPolarHBondContact O-CB 3.48Å; R824-R828 PolarHBondContact O-N 3.35Å; E825-R828 PolarHBondContact O-N 3.35Å; K826-R828 PolarHBondContact O-N 3.47Å; R828-K832 WeakPolarHBondContact O-CB 3.34Å; R828-K832 PolarHBondContact O-N 3.31Å
829	L	93.1	Very high	93.1	Very high	25 Å²	25	84.3 Å²	84.3	13%	0.131	42%	0.417	C	S	.	.	H	α-helix	trans	-69.4	-42.5	171.7	179.4	59.3	0	0	0	111.3	E658 I659 L662 E825 K826 S827 E831 K832 V833	E658-L829 HydrophobicContact CB-CD1 3.94Å; E658-L829 HydrophobicContact CB-CD2 4.27Å; I659-L829 HydrophobicContact CG1-CD2 4.01Å; L662-L829 HydrophobicContact CB-CD2 4.11Å; L662-L829 HydrophobicContact CD2-CB 4.13Å; L662-L829 HydrophobicContact CD2-CD2 3.72Å; E825-L829 PolarHBondContact O-N 2.96Å; K826-L829 PolarHBondContact O-N 3.11Å; S827-L829 VanDerWaalsContact C-N 3.34Å; S827-L829 PolarHBondContact O-N 2.77Å; L829-E831 VanDerWaalsContact C-N 3.34Å; L829-E831 PolarHBondContact O-N 3.02Å; L829-K832 HydrophobicContact CD1-CD 4.39Å; L829-K832 PolarHBondContact O-N 3.1Å; L829-V833 HydrophobicContact CD1-CG2 4.04Å; L829-V833 HydrophobicContact CG-CG2 4.36Å; L829-V833 WeakPolarHBondContact O-CB 3.46Å; L829-V833 VanDerWaalsContact O-CG2 3.25Å; L829-V833 WeakPolarHBondContact O-CG2 3.33Å; L829-V833 PolarHBondContact O-N 3.2Å
830	Q	93.6	Very high	93.1	Very high	117 Å²	117	83.1 Å²	83.1	55%	0.547	41%	0.41	S	S	.	.	H	α-helix	trans	-62	-41	175.9	-70.8	177	-72.1	0	0	111.9	K826 S827 V833 S834	K826-Q830 WeakPolarHBondContact O-CG 3.46Å; K826-Q830 PolarHBondContact O-N 3.03Å; S827-Q830 PolarHBondContact O-N 3.04Å; Q830-V833 PolarHBondContact O-N 3.02Å; Q830-S834 WeakPolarHBondContact O-CB 3.25Å; Q830-S834 PolarHBondContact O-N 2.84Å
831	E	93.9	Very high	93.1	Very high	133 Å²	133	82.5 Å²	82.5	62%	0.621	41%	0.407	S	S	*	.	H	α-helix	trans	-60.9	-50	172.8	-178.8	-177.8	-146.5	0	0	111.6	S827 L829 V833 S834 L835	S827-E831 WeakPolarHBondContact O-CB 3.37Å; S827-E831 PolarHBondContact O-N 3.33Å; L829-E831 VanDerWaalsContact C-N 3.34Å; L829-E831 PolarHBondContact O-N 3.02Å; E831-V833 VanDerWaalsContact C-N 3.33Å; E831-V833 PolarHBondContact O-N 3.41Å; E831-S834 PolarHBondContact O-N 3.08Å; E831-L835 WeakPolarHBondContact O-CB 3.44Å; E831-L835 PolarHBondContact O-N 3.25Å
832	K	93.6	Very high	93.3	Very high	114 Å²	114	83.5 Å²	83.5	50%	0.496	41%	0.412	S	S	.	.	H	α-helix	trans	-57.8	-43.6	176.2	-176.2	-162.8	178	-164.9	0	112.3	E658 R828 L829 R836	E658-K832 IonicContact OE1-NZ 2.89Å; E658-K832 PolarHBondContact OE1-NZ 2.99Å; R828-K832 WeakPolarHBondContact O-CB 3.34Å; R828-K832 PolarHBondContact O-N 3.31Å; L829-K832 HydrophobicContact CD1-CD 4.39Å; L829-K832 PolarHBondContact O-N 3.1Å; K832-R836 WeakPolarHBondContact O-CB 3.49Å; K832-R836 PolarHBondContact O-N 2.98Å
833	V	92.8	Very high	93.3	Very high	14 Å²	14	88 Å²	88	9%	0.085	43%	0.431	C	S	.	.	H	α-helix	trans	-66.1	-47.4	177.8	166	0	0	0	0	110.4	H651 Q655 L829 Q830 E831 R836 C837	H651-V833 PolarHBondContact CE1-O 3.06Å; Q655-V833 HydrophobicContact CB-CG1 4.27Å; Q655-V833 HydrophobicContact CB-CG2 4.39Å; Q655-V833 VanDerWaalsContact CD-CG1 3.49Å; Q655-V833 HydrophobicContact CG-CG1 3.81Å; Q655-V833 HydrophobicContact CG-CG2 4.18Å; L829-V833 HydrophobicContact CD1-CG2 4.04Å; L829-V833 HydrophobicContact CG-CG2 4.36Å; L829-V833 WeakPolarHBondContact O-CB 3.46Å; L829-V833 VanDerWaalsContact O-CG2 3.25Å; L829-V833 WeakPolarHBondContact O-CG2 3.33Å; L829-V833 PolarHBondContact O-N 3.2Å; Q830-V833 PolarHBondContact O-N 3.02Å; E831-V833 VanDerWaalsContact C-N 3.33Å; E831-V833 PolarHBondContact O-N 3.41Å; V833-R836 CarbonylContact O-C 3.51Å; V833-R836 PolarHBondContact O-N 2.99Å; V833-C837 PolarHBondContact O-N 3.24Å
834	S	94.1	Very high	93.2	Very high	77 Å²	77	84 Å²	84	54%	0.538	41%	0.41	S	S	.	.	H	α-helix	trans	-58.7	-48.6	177.4	-175.5	0	0	0	0	111.9	Q830 E831 R836 C837 A838	Q830-S834 WeakPolarHBondContact O-CB 3.25Å; Q830-S834 PolarHBondContact O-N 2.84Å; E831-S834 PolarHBondContact O-N 3.08Å; S834-R836 VanDerWaalsContact C-N 3.35Å; S834-R836 PolarHBondContact O-N 3.3Å; S834-C837 WeakPolarHBondContact O-CA 3.43Å; S834-C837 WeakPolarHBondContact O-CB 3.47Å; S834-C837 PolarHBondContact O-N 3.47Å; S834-A838 PolarHBondContact O-N 3.11Å
835	L	93.7	Very high	93.2	Very high	116 Å²	116	82.3 Å²	82.3	61%	0.607	41%	0.409	S	S	*	.	H	α-helix	trans	-61.2	-41.6	176.3	-173.6	68.4	0	0	0	111.8	E831 C837 A838 V839	E831-L835 WeakPolarHBondContact O-CB 3.44Å; E831-L835 PolarHBondContact O-N 3.25Å; L835-C837 VanDerWaalsContact C-N 3.28Å; L835-C837 PolarHBondContact O-N 2.99Å; L835-A838 PolarHBondContact O-N 3.23Å; L835-V839 WeakPolarHBondContact O-CB 3.11Å; L835-V839 VanDerWaalsContact O-CG2 3.31Å; L835-V839 WeakPolarHBondContact O-CG2 3.22Å; L835-V839 PolarHBondContact O-N 2.84Å
836	R	93.7	Very high	93.2	Very high	62 Å²	62	85.1 Å²	85.1	23%	0.234	42%	0.422	C	S	.	.	H	α-helix	trans	-64.8	-31.8	174	-176.3	179	67	-147.1	-4.3	112.1	H651 E658 K832 V833 S834 L840	H651-R836 PolarHBondContact CE1-NE 2.84Å; H651-R836 PolarHBondContact ND1-NE 3.1Å; E658-R836 IonicContact OE1-NH1 2.65Å; E658-R836 PolarHBondContact OE1-NH1 2.91Å; E658-R836 IonicContact OE2-CZ 3.69Å; E658-R836 IonicContact OE2-NH1 3.15Å; E658-R836 PolarHBondContact OE2-NH1 3.16Å; E658-R836 IonicContact OE2-NH2 3.8Å; E658-R836 PolarHBondContact OE2-NH2 3.38Å; K832-R836 WeakPolarHBondContact O-CB 3.49Å; K832-R836 PolarHBondContact O-N 2.98Å; V833-R836 CarbonylContact O-C 3.51Å; V833-R836 PolarHBondContact O-N 2.99Å; S834-R836 VanDerWaalsContact C-N 3.35Å; S834-R836 PolarHBondContact O-N 3.3Å; R836-L840 HydrophobicContact CG-CD1 4.22Å; R836-L840 WeakPolarHBondContact O-CB 3.43Å; R836-L840 WeakPolarHBondContact O-CD1 3.38Å; R836-L840 VanDerWaalsContact O-CG 3.25Å; R836-L840 WeakPolarHBondContact O-CG 3.26Å; R836-L840 PolarHBondContact O-N 2.93Å
837	C	92.8	Very high	93.1	Very high	39 Å²	39	82.8 Å²	82.8	26%	0.264	41%	0.413	S	S	.	.	H	α-helix	trans	-70.1	-54.1	176.1	-162.5	0	0	0	0	109.6	H651 V833 S834 L835 V839 L840 E841	H651-C837 PolarHBondContact CE1-N 3.49Å; V833-C837 PolarHBondContact O-N 3.24Å; S834-C837 WeakPolarHBondContact O-CA 3.43Å; S834-C837 WeakPolarHBondContact O-CB 3.47Å; S834-C837 PolarHBondContact O-N 3.47Å; L835-C837 VanDerWaalsContact C-N 3.28Å; L835-C837 PolarHBondContact O-N 2.99Å; C837-V839 VanDerWaalsContact C-N 3.34Å; C837-V839 PolarHBondContact O-N 2.91Å; C837-L840 PolarHBondContact O-N 3.42Å; C837-E841 WeakPolarHBondContact O-CG 3.22Å; C837-E841 PolarHBondContact O-N 2.75Å; C837-E841 PolarHBondContact SG-OE2 3.08Å
838	A	93.7	Very high	92.9	Very high	52 Å²	52	83.2 Å²	83.2	43%	0.43	41%	0.41	S	S	.	.	H	α-helix	trans	-54.8	-44.3	178.5	0	0	0	0	0	113	S834 L835 L840 E841 Q842	S834-A838 PolarHBondContact O-N 3.11Å; L835-A838 PolarHBondContact O-N 3.23Å; A838-L840 PolarHBondContact O-N 2.79Å; A838-E841 PolarHBondContact O-N 2.82Å; A838-Q842 VanDerWaalsContact O-CB 3.31Å; A838-Q842 WeakPolarHBondContact O-CB 3.2Å; A838-Q842 PolarHBondContact O-N 3.33Å
839	V	93.6	Very high	92.8	Very high	84 Å²	84	77.8 Å²	77.8	51%	0.509	40%	0.398	S	S	.	.	H	α-helix	trans	-67.4	-34.1	177.6	171.2	0	0	0	0	112.5	L835 C837 K843	L835-V839 WeakPolarHBondContact O-CB 3.11Å; L835-V839 VanDerWaalsContact O-CG2 3.31Å; L835-V839 WeakPolarHBondContact O-CG2 3.22Å; L835-V839 PolarHBondContact O-N 2.84Å; C837-V839 VanDerWaalsContact C-N 3.34Å; C837-V839 PolarHBondContact O-N 2.91Å; V839-K843 WeakPolarHBondContact O-CB 3.42Å; V839-K843 PolarHBondContact O-N 2.99Å
840	L	91.9	Very high	92.7	Very high	50 Å²	50	81.9 Å²	81.9	26%	0.262	42%	0.416	S	S	.	.	H	α-helix	trans	-71.9	-41	173.4	-74.9	168	0	0	0	111.6	H651 R836 C837 A838 K843 M844	H651-L840 HydrophobicContact CB-CD1 3.98Å; H651-L840 WeakPolarHBondContact ND1-CD1 3.46Å; R836-L840 HydrophobicContact CG-CD1 4.22Å; R836-L840 WeakPolarHBondContact O-CB 3.43Å; R836-L840 WeakPolarHBondContact O-CD1 3.38Å; R836-L840 VanDerWaalsContact O-CG 3.25Å; R836-L840 WeakPolarHBondContact O-CG 3.26Å; R836-L840 PolarHBondContact O-N 2.93Å; C837-L840 PolarHBondContact O-N 3.42Å; A838-L840 PolarHBondContact O-N 2.79Å; L840-K843 PolarHBondContact O-N 3.09Å; L840-M844 VanDerWaalsContact O-CG 3.28Å; L840-M844 WeakPolarHBondContact O-CG 3.15Å; L840-M844 PolarHBondContact O-N 3.35Å
841	E	92.3	Very high	92.6	Very high	72 Å²	72	77 Å²	77	34%	0.336	39%	0.393	S	S	.	.	H	α-helix	trans	-68	-45.6	-179.8	-69.1	-176.4	115.4	0	0	111.6	R648 C837 A838 K843 M844 E845	R648-E841 IonicContact CZ-OE1 2.72Å; R648-E841 IonicContact NH1-OE1 3.18Å; R648-E841 PolarHBondContact NH1-OE1 3.39Å; R648-E841 IonicContact NH2-OE1 3.01Å; R648-E841 PolarHBondContact NH2-OE1 3.19Å; C837-E841 WeakPolarHBondContact O-CG 3.22Å; C837-E841 PolarHBondContact O-N 2.75Å; C837-E841 PolarHBondContact SG-OE2 3.08Å; A838-E841 PolarHBondContact O-N 2.82Å; E841-K843 VanDerWaalsContact C-N 3.32Å; E841-K843 PolarHBondContact O-N 3.27Å; E841-M844 HydrophobicContact CB-CE 4.45Å; E841-M844 HydrophobicContact CG-CE 3.92Å; E841-M844 PolarHBondContact O-N 3.17Å; E841-E845 WeakPolarHBondContact O-CB 3.21Å; E841-E845 PolarHBondContact O-N 3.23Å
842	Q	93	Very high	92.4	Very high	109 Å²	109	73.8 Å²	73.8	51%	0.509	38%	0.38	S	S	.	.	H	α-helix	trans	-54.3	-47.2	170.4	-179.1	-171.4	-21.3	0	0	111.1	A838 M844 E845 E846	A838-Q842 VanDerWaalsContact O-CB 3.31Å; A838-Q842 WeakPolarHBondContact O-CB 3.2Å; A838-Q842 PolarHBondContact O-N 3.33Å; Q842-M844 PolarHBondContact O-N 2.88Å; Q842-E845 PolarHBondContact O-N 3.11Å; Q842-E846 HydrophobicContact CG-CG 4.47Å; Q842-E846 WeakPolarHBondContact CG-OE1 3.45Å; Q842-E846 PolarHBondContact NE2-OE1 3.42Å; Q842-E846 WeakPolarHBondContact O-CG 3.4Å; Q842-E846 PolarHBondContact O-N 2.88Å
843	K	92.6	Very high	92.2	Very high	111 Å²	111	76.3 Å²	76.3	48%	0.483	39%	0.386	S	S	.	.	H	α-helix	trans	-65.4	-37.3	-179.8	-174.2	171.1	-174	-78.7	0	112.7	V839 L840 E841 E845 E847	V839-K843 WeakPolarHBondContact O-CB 3.42Å; V839-K843 PolarHBondContact O-N 2.99Å; L840-K843 PolarHBondContact O-N 3.09Å; E841-K843 VanDerWaalsContact C-N 3.32Å; E841-K843 PolarHBondContact O-N 3.27Å; K843-E845 VanDerWaalsContact C-N 3.35Å; K843-E847 IonicContact NZ-OE1 3.24Å; K843-E847 PolarHBondContact NZ-OE1 3.3Å; K843-E847 WeakPolarHBondContact O-CB 3.42Å; K843-E847 VanDerWaalsContact O-CG 3.32Å; K843-E847 WeakPolarHBondContact O-CG 3.24Å; K843-E847 PolarHBondContact O-N 2.87Å
844	M	91.7	Very high	91.9	Very high	11 Å²	11	78.1 Å²	78.1	5%	0.054	39%	0.394	C	S	.	.	H	α-helix	trans	-67.5	-37	174.5	-69.7	-175.6	-56.7	0	0	111.5	H644 L647 R648 L840 E841 Q842 E847 L848	H644-M844 HydrophobicContact CB-CG 4.23Å; H644-M844 HydrophobicContact CB-SD 3.55Å; H644-M844 VanDerWaalsContact CB-SD 3.55Å; H644-M844 PolarHBondContact CE1-O 3.25Å; H644-M844 VanDerWaalsContact CE1-O 3.27Å; L647-M844 HydrophobicContact CB-SD 4.47Å; R648-M844 HydrophobicContact CG-CE 3.94Å; R648-M844 HydrophobicContact CG-SD 4.36Å; L840-M844 VanDerWaalsContact O-CG 3.28Å; L840-M844 WeakPolarHBondContact O-CG 3.15Å; L840-M844 PolarHBondContact O-N 3.35Å; E841-M844 HydrophobicContact CB-CE 4.45Å; E841-M844 HydrophobicContact CG-CE 3.92Å; E841-M844 PolarHBondContact O-N 3.17Å; Q842-M844 PolarHBondContact O-N 2.88Å; M844-E847 PolarHBondContact O-N 3.27Å; M844-L848 WeakPolarHBondContact O-CB 3.46Å; M844-L848 VanDerWaalsContact O-CG 3.31Å; M844-L848 WeakPolarHBondContact O-CG 3.29Å; M844-L848 PolarHBondContact O-N 2.9Å
845	E	92.5	Very high	91.5	Very high	131 Å²	131	79.8 Å²	79.8	61%	0.612	39%	0.388	S	S	*	.	H	α-helix	trans	-66.8	-43.5	174.5	-172.7	170.7	-154.1	0	0	111.9	E841 Q842 K843 E847 L848 V849	E841-E845 WeakPolarHBondContact O-CB 3.21Å; E841-E845 PolarHBondContact O-N 3.23Å; Q842-E845 PolarHBondContact O-N 3.11Å; K843-E845 VanDerWaalsContact C-N 3.35Å; E845-E847 PolarHBondContact O-N 3.13Å; E845-L848 PolarHBondContact O-N 2.86Å; E845-V849 WeakPolarHBondContact O-CB 3.44Å; E845-V849 WeakPolarHBondContact O-CG2 3.45Å; E845-V849 PolarHBondContact O-N 2.93Å
846	E	92.6	Very high	91.2	Very high	108 Å²	108	80.1 Å²	80.1	51%	0.505	39%	0.39	S	S	.	.	H	α-helix	trans	-58.6	-44.3	172.3	-74.1	171.9	-174.8	0	0	112	Q842 V849 Q850	Q842-E846 HydrophobicContact CG-CG 4.47Å; Q842-E846 WeakPolarHBondContact CG-OE1 3.45Å; Q842-E846 PolarHBondContact NE2-OE1 3.42Å; Q842-E846 WeakPolarHBondContact O-CG 3.4Å; Q842-E846 PolarHBondContact O-N 2.88Å; E846-V849 PolarHBondContact O-N 2.92Å; E846-Q850 WeakPolarHBondContact O-CB 3.46Å; E846-Q850 PolarHBondContact O-N 3.09Å
847	E	91.1	Very high	90.9	Very high	57 Å²	57	82.7 Å²	82.7	27%	0.266	41%	0.405	S	S	.	.	H	α-helix	trans	-65.8	-36	176	-74.8	174.1	-174.2	0	0	112.8	L640 H644 K843 M844 E845 F851	L640-E847 HydrophobicContact CD1-CB 4.23Å; H644-E847 IonicContact CD2-OE2 2.68Å; H644-E847 IonicContact CE1-OE2 2.77Å; H644-E847 IonicContact NE2-OE2 3.32Å; H644-E847 PolarHBondContact NE2-OE2 3.04Å; K843-E847 IonicContact NZ-OE1 3.24Å; K843-E847 PolarHBondContact NZ-OE1 3.3Å; K843-E847 WeakPolarHBondContact O-CB 3.42Å; K843-E847 VanDerWaalsContact O-CG 3.32Å; K843-E847 WeakPolarHBondContact O-CG 3.24Å; K843-E847 PolarHBondContact O-N 2.87Å; M844-E847 PolarHBondContact O-N 3.27Å; E845-E847 PolarHBondContact O-N 3.13Å; E847-F851 WeakPolarHBondContact O-CB 3.48Å; E847-F851 PolarHBondContact O-N 3.49Å
848	L	91.2	Very high	90.3	Very high	76 Å²	76	85 Å²	85	40%	0.398	41%	0.408	S	S	.	.	H	α-helix	trans	-68.5	-48.4	173.8	-77.1	165.5	0	0	0	111.6	L640 M844 E845 Q850 F851 D852	L640-L848 HydrophobicContact CD2-CD2 4Å; M844-L848 WeakPolarHBondContact O-CB 3.46Å; M844-L848 VanDerWaalsContact O-CG 3.31Å; M844-L848 WeakPolarHBondContact O-CG 3.29Å; M844-L848 PolarHBondContact O-N 2.9Å; E845-L848 PolarHBondContact O-N 2.86Å; L848-Q850 VanDerWaalsContact C-N 3.27Å; L848-Q850 PolarHBondContact O-N 3.05Å; L848-F851 PolarHBondContact O-N 2.94Å; L848-D852 PolarHBondContact O-N 2.99Å
849	V	92.2	Very high	89.7	Confident	76 Å²	76	85 Å²	85	46%	0.461	40%	0.403	S	S	.	.	H	α-helix	trans	-62	-35.6	178.1	169.6	0	0	0	0	111.4	E845 E846 R853	E845-V849 WeakPolarHBondContact O-CB 3.44Å; E845-V849 WeakPolarHBondContact O-CG2 3.45Å; E845-V849 PolarHBondContact O-N 2.93Å; E846-V849 PolarHBondContact O-N 2.92Å; V849-R853 WeakPolarHBondContact O-CB 3.23Å; V849-R853 PolarHBondContact O-N 3.04Å; V849-R853 VanDerWaalsContact O-N 3.11Å
850	Q	91	Very high	89.3	Confident	110 Å²	110	87.3 Å²	87.3	51%	0.514	41%	0.406	S	S	.	.	H	α-helix	trans	-65.6	-47.6	170.7	-176.4	-179.6	-28.5	0	0	111.4	E846 L848 R853 E854	E846-Q850 WeakPolarHBondContact O-CB 3.46Å; E846-Q850 PolarHBondContact O-N 3.09Å; L848-Q850 VanDerWaalsContact C-N 3.27Å; L848-Q850 PolarHBondContact O-N 3.05Å; Q850-R853 WeakPolarHBondContact O-CB 3.32Å; Q850-R853 PolarHBondContact O-N 3.43Å; Q850-E854 WeakPolarHBondContact CG-OE1 3.34Å; Q850-E854 PolarHBondContact NE2-OE1 3.08Å; Q850-E854 WeakPolarHBondContact O-CG 3.49Å; Q850-E854 PolarHBondContact O-N 3.35Å
851	F	90.8	Very high	88.7	Confident	16 Å²	16	90.2 Å²	90.2	7%	0.07	42%	0.418	C	S	.	.	H	α-helix	trans	-62.9	-42.9	-179.9	175	-102.1	0	0	0	112.8	L633 R636 G637 L640 E847 L848 R853 E854 R855	L633-F851 HydrophobicContact CD2-CE2 4.02Å; L633-F851 WeakPolarHBondContact O-CZ 3.16Å; R636-F851 HydrophobicContact CB-CE2 4.19Å; R636-F851 HydrophobicContact CG-CD2 4.37Å; R636-F851 HydrophobicContact CG-CE2 4.15Å; G637-F851 VanDerWaalsContact CA-CZ 3.4Å; L640-F851 HydrophobicContact CD2-CB 3.82Å; L640-F851 HydrophobicContact CD2-CD1 4.43Å; L640-F851 HydrophobicContact CD2-CG 4.07Å; E847-F851 WeakPolarHBondContact O-CB 3.48Å; E847-F851 PolarHBondContact O-N 3.49Å; L848-F851 PolarHBondContact O-N 2.94Å; F851-R853 VanDerWaalsContact C-N 3.32Å; F851-R853 PolarHBondContact O-N 3.34Å; F851-E854 PolarHBondContact O-N 2.87Å; F851-R855 WeakPolarHBondContact O-CB 3.49Å; F851-R855 PolarHBondContact O-N 3.16Å
852	D	89.4	Confident	87.9	Confident	65 Å²	65	89.6 Å²	89.6	35%	0.348	42%	0.417	S	S	.	.	H	α-helix	trans	-66.2	-33.8	175.9	-81.8	-40.2	0	0	0	112	L848 R855 L856	L848-D852 PolarHBondContact O-N 2.99Å; D852-R855 PolarHBondContact O-N 2.98Å; D852-R855 IonicContact OD1-CZ 2.72Å; D852-R855 IonicContact OD1-NH1 3.04Å; D852-R855 PolarHBondContact OD1-NH1 3.39Å; D852-R855 IonicContact OD1-NH2 2.69Å; D852-R855 PolarHBondContact OD1-NH2 2.72Å; D852-R855 VanDerWaalsContact OD1-NH2 3.08Å; D852-L856 VanDerWaalsContact O-CB 3.28Å; D852-L856 WeakPolarHBondContact O-CB 3.45Å; D852-L856 PolarHBondContact O-N 2.93Å
853	R	90.1	Very high	87.1	Confident	167 Å²	167	89.5 Å²	89.5	63%	0.63	42%	0.416	S	S	*	.	H	α-helix	trans	-64.8	-48.5	171.4	-173.1	-176	-58.4	168.6	5	111.8	V849 Q850 F851 R855 L856 E857	V849-R853 WeakPolarHBondContact O-CB 3.23Å; V849-R853 PolarHBondContact O-N 3.04Å; V849-R853 VanDerWaalsContact O-N 3.11Å; Q850-R853 WeakPolarHBondContact O-CB 3.32Å; Q850-R853 PolarHBondContact O-N 3.43Å; F851-R853 VanDerWaalsContact C-N 3.32Å; F851-R853 PolarHBondContact O-N 3.34Å; R853-R855 VanDerWaalsContact C-N 3.26Å; R853-R855 PolarHBondContact O-N 3.46Å; R853-L856 PolarHBondContact O-N 2.94Å; R853-E857 WeakPolarHBondContact O-CB 3.35Å; R853-E857 PolarHBondContact O-N 3.09Å
854	E	86.1	Confident	86.6	Confident	52 Å²	52	87.2 Å²	87.2	24%	0.243	41%	0.411	C	S	.	.	H	α-helix	trans	-60.9	-34.9	175.8	-71.4	179.9	-142.9	0	0	111.8	R636 Q850 F851 R858	R636-E854 IonicContact CZ-OE2 3.64Å; R636-E854 IonicContact NH1-OE2 2.89Å; R636-E854 PolarHBondContact NH1-OE2 2.87Å; R636-E854 IonicContact NH2-OE1 2.76Å; R636-E854 PolarHBondContact NH2-OE1 2.9Å; R636-E854 VanDerWaalsContact NH2-OE1 3.15Å; R636-E854 IonicContact NH2-OE2 3.73Å; R636-E854 PolarHBondContact NH2-OE2 3.48Å; Q850-E854 WeakPolarHBondContact CG-OE1 3.34Å; Q850-E854 PolarHBondContact NE2-OE1 3.08Å; Q850-E854 WeakPolarHBondContact O-CG 3.49Å; Q850-E854 PolarHBondContact O-N 3.35Å; F851-E854 PolarHBondContact O-N 2.87Å; E854-R858 WeakPolarHBondContact O-CG 3.34Å; E854-R858 PolarHBondContact O-N 3.17Å
855	R	86	Confident	85.9	Confident	111 Å²	111	89.8 Å²	89.8	42%	0.419	42%	0.421	S	S	.	.	H	α-helix	trans	-68.8	-50.7	173.7	-167.4	-178.7	77.9	-131.2	-7.3	111.7	L633 F851 D852 R853 E857 R858 T859	L633-R855 HydrophobicContact CD1-CG 4.13Å; L633-R855 HydrophobicContact CD2-CB 4.43Å; F851-R855 WeakPolarHBondContact O-CB 3.49Å; F851-R855 PolarHBondContact O-N 3.16Å; D852-R855 PolarHBondContact O-N 2.98Å; D852-R855 IonicContact OD1-CZ 2.72Å; D852-R855 IonicContact OD1-NH1 3.04Å; D852-R855 PolarHBondContact OD1-NH1 3.39Å; D852-R855 IonicContact OD1-NH2 2.69Å; D852-R855 PolarHBondContact OD1-NH2 2.72Å; D852-R855 VanDerWaalsContact OD1-NH2 3.08Å; R853-R855 VanDerWaalsContact C-N 3.26Å; R853-R855 PolarHBondContact O-N 3.46Å; R855-E857 VanDerWaalsContact C-N 3.32Å; R855-E857 PolarHBondContact O-N 2.86Å; R855-R858 PolarHBondContact O-N 3.02Å; R855-T859 PolarHBondContact O-N 3.28Å; R855-T859 PolarHBondContact O-OG1 3.29Å
856	L	87.8	Confident	85.1	Confident	123 Å²	123	89.6 Å²	89.6	64%	0.644	42%	0.42	S	S	*	.	H	α-helix	trans	-62.2	-39.5	-178.1	-167.5	80.7	0	0	0	111.7	D852 R853 T859 K860	D852-L856 VanDerWaalsContact O-CB 3.28Å; D852-L856 WeakPolarHBondContact O-CB 3.45Å; D852-L856 PolarHBondContact O-N 2.93Å; R853-L856 PolarHBondContact O-N 2.94Å; L856-T859 PolarHBondContact O-N 3.44Å; L856-K860 WeakPolarHBondContact O-CB 3.23Å; L856-K860 PolarHBondContact O-N 3.5Å
857	E	86.2	Confident	84.4	Confident	117 Å²	117	88.1 Å²	88.1	55%	0.547	42%	0.418	S	S	.	.	H	α-helix	trans	-64.4	-40	176.8	-173.6	169.5	-169.5	0	0	111.8	R853 R855 K860 Q861	R853-E857 WeakPolarHBondContact O-CB 3.35Å; R853-E857 PolarHBondContact O-N 3.09Å; R855-E857 VanDerWaalsContact C-N 3.32Å; R855-E857 PolarHBondContact O-N 2.86Å; E857-K860 PolarHBondContact O-N 2.99Å; E857-Q861 VanDerWaalsContact O-CG 3.31Å; E857-Q861 WeakPolarHBondContact O-CG 3.49Å; E857-Q861 PolarHBondContact O-N 3.08Å; E857-Q861 VanDerWaalsContact O-N 3.08Å
858	R	81.2	Confident	83.8	Confident	88 Å²	88	93.1 Å²	93.1	33%	0.332	43%	0.434	S	S	.	.	H	α-helix	trans	-65.8	-42.5	172	-76.8	173	166.1	-128.8	-14.9	112.2	D629 L633 E854 R855 K860 Q861 L862	D629-R858 PolarHBondContact O-NH1 2.93Å; D629-R858 IonicContact OD1-CZ 2.68Å; D629-R858 IonicContact OD1-NH1 3.25Å; D629-R858 PolarHBondContact OD1-NH1 3.22Å; D629-R858 IonicContact OD1-NH2 3.13Å; D629-R858 PolarHBondContact OD1-NH2 3.04Å; L633-R858 HydrophobicContact CD1-CB 3.99Å; L633-R858 HydrophobicContact CD1-CG 4.32Å; E854-R858 WeakPolarHBondContact O-CG 3.34Å; E854-R858 PolarHBondContact O-N 3.17Å; R855-R858 PolarHBondContact O-N 3.02Å; R858-K860 PolarHBondContact O-N 3.19Å; R858-Q861 PolarHBondContact O-N 3.45Å; R858-L862 PolarHBondContact O-N 3.05Å
859	T	80.7	Confident	83.1	Confident	51 Å²	51	92.4 Å²	92.4	31%	0.313	43%	0.429	S	S	.	.	H	α-helix	trans	-60.3	-44.8	174.2	-59.9	0	0	0	0	111.6	R855 L856 Q861 L862 E863	R855-T859 PolarHBondContact O-N 3.28Å; R855-T859 PolarHBondContact O-OG1 3.29Å; L856-T859 PolarHBondContact O-N 3.44Å; T859-Q861 VanDerWaalsContact C-N 3.27Å; T859-Q861 PolarHBondContact O-N 2.92Å; T859-L862 WeakPolarHBondContact O-CA 3.47Å; T859-L862 VanDerWaalsContact O-CB 3.29Å; T859-L862 WeakPolarHBondContact O-CB 3.35Å; T859-L862 PolarHBondContact O-N 3.37Å; T859-E863 PolarHBondContact O-N 2.98Å
860	K	84.3	Confident	82.3	Confident	132 Å²	132	93.2 Å²	93.2	57%	0.574	43%	0.43	S	S	*	.	H	α-helix	trans	-63.9	-31.1	177.8	-170.7	172.5	-175.9	174.2	0	113	L856 E857 R858 L862 E863 V864	L856-K860 WeakPolarHBondContact O-CB 3.23Å; L856-K860 PolarHBondContact O-N 3.5Å; E857-K860 PolarHBondContact O-N 2.99Å; R858-K860 PolarHBondContact O-N 3.19Å; K860-L862 VanDerWaalsContact C-N 3.33Å; K860-E863 PolarHBondContact O-N 3.31Å; K860-V864 HydrophobicContact CG-CG2 4.42Å; K860-V864 WeakPolarHBondContact O-CB 3.46Å; K860-V864 VanDerWaalsContact O-CG2 3.3Å; K860-V864 WeakPolarHBondContact O-CG2 3.43Å; K860-V864 PolarHBondContact O-N 2.88Å
861	Q	80.9	Confident	81.7	Confident	111 Å²	111	92 Å²	92	52%	0.519	43%	0.427	S	S	.	.	H	α-helix	trans	-68.4	-31	171.9	-71.8	172.1	27	0	0	112.5	E857 R858 T859 R865	E857-Q861 VanDerWaalsContact O-CG 3.31Å; E857-Q861 WeakPolarHBondContact O-CG 3.49Å; E857-Q861 PolarHBondContact O-N 3.08Å; E857-Q861 VanDerWaalsContact O-N 3.08Å; R858-Q861 PolarHBondContact O-N 3.45Å; T859-Q861 VanDerWaalsContact C-N 3.27Å; T859-Q861 PolarHBondContact O-N 2.92Å; Q861-R865 WeakPolarHBondContact O-CB 3.46Å; Q861-R865 PolarHBondContact O-N 3.14Å
862	L	74.1	Confident	81.2	Confident	59 Å²	59	94.7 Å²	94.7	31%	0.309	45%	0.445	S	S	.	.	H	α-helix	trans	-69.3	-48.5	170.5	-61.6	170.8	0	0	0	111	F626 R858 T859 K860 V864 R865 Q866	F626-L862 HydrophobicContact CB-CD2 3.79Å; F626-L862 HydrophobicContact CD1-CD2 3.37Å; F626-L862 HydrophobicContact CD2-CD2 4.07Å; F626-L862 HydrophobicContact CE1-CD2 3.91Å; F626-L862 HydrophobicContact CG-CD2 3.47Å; F626-L862 VanDerWaalsContact CG-CD2 3.47Å; F626-L862 HydrophobicContact CZ-CD2 4.47Å; R858-L862 PolarHBondContact O-N 3.05Å; T859-L862 WeakPolarHBondContact O-CA 3.47Å; T859-L862 VanDerWaalsContact O-CB 3.29Å; T859-L862 WeakPolarHBondContact O-CB 3.35Å; T859-L862 PolarHBondContact O-N 3.37Å; K860-L862 VanDerWaalsContact C-N 3.33Å; L862-V864 PolarHBondContact O-N 2.86Å; L862-R865 WeakPolarHBondContact O-CB 3.46Å; L862-R865 PolarHBondContact O-N 2.82Å; L862-R865 VanDerWaalsContact O-N 3.13Å; L862-Q866 WeakPolarHBondContact O-CB 3.18Å; L862-Q866 PolarHBondContact O-N 2.87Å
863	E	76.6	Confident	80.5	Confident	107 Å²	107	97 Å²	97	50%	0.5	45%	0.452	S	S	.	.	H	α-helix	trans	-56.8	-52.5	178.5	-67.7	168.3	169.1	0	0	111.7	T859 K860 R865 Q866 T867	T859-E863 PolarHBondContact O-N 2.98Å; K860-E863 PolarHBondContact O-N 3.31Å; E863-R865 PolarHBondContact O-N 3.33Å; E863-Q866 PolarHBondContact O-N 2.58Å; E863-Q866 VanDerWaalsContact O-N 3.08Å; E863-T867 PolarHBondContact O-N 2.92Å; E863-T867 PolarHBondContact O-OG1 2.96Å; E863-T867 VanDerWaalsContact O-OG1 3.11Å
864	V	82.3	Confident	79.8	Confident	63 Å²	63	93.6 Å²	93.6	38%	0.382	45%	0.446	S	S	.	.	H	α-helix	trans	-61.9	-28.2	178.8	170.4	0	0	0	0	112.2	K860 L862 R868	K860-V864 HydrophobicContact CG-CG2 4.42Å; K860-V864 WeakPolarHBondContact O-CB 3.46Å; K860-V864 VanDerWaalsContact O-CG2 3.3Å; K860-V864 WeakPolarHBondContact O-CG2 3.43Å; K860-V864 PolarHBondContact O-N 2.88Å; L862-V864 PolarHBondContact O-N 2.86Å; V864-R868 WeakPolarHBondContact O-CD 3.34Å; V864-R868 WeakPolarHBondContact O-CG 3.25Å; V864-R868 PolarHBondContact O-N 3.35Å
865	R	76.2	Confident	79.3	Confident	66 Å²	66	97.7 Å²	97.7	25%	0.249	47%	0.466	C	S	.	.	H	α-helix	trans	-74	-48.8	171.5	-179	-174.4	176.8	117.2	1.1	111.3	S622 Q861 L862 E863 T867 R868 E869	S622-R865 PolarHBondContact OG-NH1 3.32Å; Q861-R865 WeakPolarHBondContact O-CB 3.46Å; Q861-R865 PolarHBondContact O-N 3.14Å; L862-R865 WeakPolarHBondContact O-CB 3.46Å; L862-R865 PolarHBondContact O-N 2.82Å; L862-R865 VanDerWaalsContact O-N 3.13Å; E863-R865 PolarHBondContact O-N 3.33Å; R865-T867 VanDerWaalsContact C-N 3.28Å; R865-T867 PolarHBondContact O-N 2.89Å; R865-R868 CarbonylContact O-C 3.56Å; R865-R868 WeakPolarHBondContact O-CA 3.05Å; R865-R868 WeakPolarHBondContact O-CB 3.5Å; R865-R868 PolarHBondContact O-N 3.49Å; R865-E869 HydrophobicContact CG-CG 4.28Å; R865-E869 IonicContact CZ-OE1 3.9Å; R865-E869 VanDerWaalsContact NE-CD 3.25Å; R865-E869 IonicContact NE-OE1 2.71Å; R865-E869 PolarHBondContact NE-OE1 3.06Å; R865-E869 IonicContact NE-OE2 3.26Å; R865-E869 PolarHBondContact NE-OE2 2.87Å; R865-E869 IonicContact NH2-OE1 3.44Å; R865-E869 PolarHBondContact NH2-OE1 2.67Å; R865-E869 PolarHBondContact O-N 3.46Å
866	Q	75.3	Confident	78.7	Confident	126 Å²	126	95.9 Å²	95.9	59%	0.589	46%	0.462	S	S	*	.	H	α-helix	trans	-61.3	-38.5	-177.6	-170.8	176.3	6.7	0	0	111.2	L862 E863 E869 L870	L862-Q866 WeakPolarHBondContact O-CB 3.18Å; L862-Q866 PolarHBondContact O-N 2.87Å; E863-Q866 PolarHBondContact O-N 2.58Å; E863-Q866 VanDerWaalsContact O-N 3.08Å; Q866-E869 PolarHBondContact O-N 3.43Å; Q866-L870 HydrophobicContact CG-CD1 4.44Å; Q866-L870 VanDerWaalsContact O-CG 3.31Å; Q866-L870 WeakPolarHBondContact O-CG 3.39Å; Q866-L870 PolarHBondContact O-N 2.69Å
867	T	78.6	Confident	78	Confident	77 Å²	77	91.1 Å²	91.1	47%	0.472	44%	0.439	S	S	.	.	H	α-helix	trans	-57.2	-51.4	169.5	-51.9	0	0	0	0	110.9	E863 R865 E869 L870 D871	E863-T867 PolarHBondContact O-N 2.92Å; E863-T867 PolarHBondContact O-OG1 2.96Å; E863-T867 VanDerWaalsContact O-OG1 3.11Å; R865-T867 VanDerWaalsContact C-N 3.28Å; R865-T867 PolarHBondContact O-N 2.89Å; T867-E869 VanDerWaalsContact C-N 3.3Å; T867-E869 PolarHBondContact O-N 3.17Å; T867-L870 CarbonylContact O-C 3.49Å; T867-L870 WeakPolarHBondContact O-CA 3.35Å; T867-L870 WeakPolarHBondContact O-CB 3.35Å; T867-L870 PolarHBondContact O-N 2.99Å; T867-L870 VanDerWaalsContact O-N 3.08Å; T867-D871 PolarHBondContact O-N 3.48Å
868	R	79.7	Confident	77.2	Confident	162 Å²	162	92.5 Å²	92.5	61%	0.611	45%	0.445	S	S	*	.	H	α-helix	trans	-62.1	-33.2	178.6	-71.2	170.9	179.5	176.4	0.9	114.2	V864 R865 D871 V872	V864-R868 WeakPolarHBondContact O-CD 3.34Å; V864-R868 WeakPolarHBondContact O-CG 3.25Å; V864-R868 PolarHBondContact O-N 3.35Å; R865-R868 CarbonylContact O-C 3.56Å; R865-R868 WeakPolarHBondContact O-CA 3.05Å; R865-R868 WeakPolarHBondContact O-CB 3.5Å; R865-R868 PolarHBondContact O-N 3.49Å; R868-D871 WeakPolarHBondContact CA-OD2 3.3Å; R868-V872 WeakPolarHBondContact O-CB 3.21Å; R868-V872 VanDerWaalsContact O-CG2 3.25Å; R868-V872 WeakPolarHBondContact O-CG2 3.42Å; R868-V872 PolarHBondContact O-N 3.26Å
869	E	75.7	Confident	76.8	Confident	61 Å²	61	97.9 Å²	97.9	29%	0.285	47%	0.465	S	S	.	.	H	α-helix	trans	-75.5	-26.8	177	-72.7	178	148.1	0	0	112.1	R865 Q866 T867 F873	R865-E869 HydrophobicContact CG-CG 4.28Å; R865-E869 IonicContact CZ-OE1 3.9Å; R865-E869 VanDerWaalsContact NE-CD 3.25Å; R865-E869 IonicContact NE-OE1 2.71Å; R865-E869 PolarHBondContact NE-OE1 3.06Å; R865-E869 IonicContact NE-OE2 3.26Å; R865-E869 PolarHBondContact NE-OE2 2.87Å; R865-E869 IonicContact NH2-OE1 3.44Å; R865-E869 PolarHBondContact NH2-OE1 2.67Å; R865-E869 PolarHBondContact O-N 3.46Å; Q866-E869 PolarHBondContact O-N 3.43Å; T867-E869 VanDerWaalsContact C-N 3.3Å; T867-E869 PolarHBondContact O-N 3.17Å; E869-F873 VanDerWaalsContact O-CB 3.25Å; E869-F873 WeakPolarHBondContact O-CB 3.27Å; E869-F873 PolarHBondContact O-N 3.07Å
870	L	75.4	Confident	76.2	Confident	93 Å²	93	100.8 Å²	100.8	49%	0.487	48%	0.479	S	S	.	.	H	α-helix	trans	-73.9	-47.8	166.6	-69.1	166.9	0	0	0	111.3	Q866 T867 V872 F873 D874	Q866-L870 HydrophobicContact CG-CD1 4.44Å; Q866-L870 VanDerWaalsContact O-CG 3.31Å; Q866-L870 WeakPolarHBondContact O-CG 3.39Å; Q866-L870 PolarHBondContact O-N 2.69Å; T867-L870 CarbonylContact O-C 3.49Å; T867-L870 WeakPolarHBondContact O-CA 3.35Å; T867-L870 WeakPolarHBondContact O-CB 3.35Å; T867-L870 PolarHBondContact O-N 2.99Å; T867-L870 VanDerWaalsContact O-N 3.08Å; L870-V872 VanDerWaalsContact C-N 3.29Å; L870-V872 PolarHBondContact O-N 2.91Å; L870-F873 CarbonylContact O-C 3.57Å; L870-F873 WeakPolarHBondContact O-CA 3.49Å; L870-F873 WeakPolarHBondContact O-CB 3.39Å; L870-F873 PolarHBondContact O-N 3.16Å; L870-D874 PolarHBondContact O-N 3.42Å
871	D	78.5	Confident	74.7	Confident	84 Å²	84	96.1 Å²	96.1	45%	0.449	47%	0.468	S	S	.	.	H	α-helix	trans	-52.8	-48	176.8	-58.9	-33.1	0	0	0	110.7	T867 R868 D874 E875	T867-D871 PolarHBondContact O-N 3.48Å; R868-D871 WeakPolarHBondContact CA-OD2 3.3Å; D871-D874 PolarHBondContact O-N 2.86Å; D871-E875 WeakPolarHBondContact O-CG 3.31Å; D871-E875 PolarHBondContact O-N 2.92Å
872	V	79.3	Confident	73.4	Confident	74 Å²	74	96.1 Å²	96.1	45%	0.448	47%	0.467	S	S	.	.	H	α-helix	trans	-68.4	-33.8	177.3	169.1	0	0	0	0	112.5	R868 L870 E876	R868-V872 WeakPolarHBondContact O-CB 3.21Å; R868-V872 VanDerWaalsContact O-CG2 3.25Å; R868-V872 WeakPolarHBondContact O-CG2 3.42Å; R868-V872 PolarHBondContact O-N 3.26Å; L870-V872 VanDerWaalsContact C-N 3.29Å; L870-V872 PolarHBondContact O-N 2.91Å; V872-E876 WeakPolarHBondContact O-CB 3.34Å; V872-E876 PolarHBondContact O-N 2.82Å
873	F	75.3	Confident	72.4	Confident	114 Å²	114	95.7 Å²	95.7	50%	0.5	47%	0.471	S	S	.	.	H	α-helix	trans	-70	-36.8	175.5	175.4	-93.4	0	0	0	112	E869 L870 E876 S877	E869-F873 VanDerWaalsContact O-CB 3.25Å; E869-F873 WeakPolarHBondContact O-CB 3.27Å; E869-F873 PolarHBondContact O-N 3.07Å; L870-F873 CarbonylContact O-C 3.57Å; L870-F873 WeakPolarHBondContact O-CA 3.49Å; L870-F873 WeakPolarHBondContact O-CB 3.39Å; L870-F873 PolarHBondContact O-N 3.16Å; F873-E876 PolarHBondContact O-N 2.99Å; F873-S877 WeakPolarHBondContact CE1-OG 3.43Å; F873-S877 WeakPolarHBondContact O-CB 3.46Å; F873-S877 PolarHBondContact O-N 3.17Å; F873-S877 PolarHBondContact O-OG 3.34Å
874	D	74.8	Confident	71.1	Confident	94 Å²	94	98.3 Å²	98.3	50%	0.503	48%	0.483	S	S	.	.	H	α-helix	trans	-71.9	-44.1	176.2	-73.4	-16	0	0	0	110.6	L870 D871 E876 S877 E878	L870-D874 PolarHBondContact O-N 3.42Å; D871-D874 PolarHBondContact O-N 2.86Å; D874-E876 VanDerWaalsContact C-N 3.31Å; D874-E876 PolarHBondContact O-N 2.99Å; D874-S877 PolarHBondContact O-N 2.98Å; D874-S877 VanDerWaalsContact O-N 3.13Å; D874-E878 PolarHBondContact O-N 2.9Å
875	E	77	Confident	69.6	Low	138 Å²	138	99.8 Å²	99.8	65%	0.645	49%	0.488	S	S	*	.	H	α-helix	trans	-55.3	-43.5	170	-78.2	-173.6	179.4	0	0	112.1	D871 R879	D871-E875 WeakPolarHBondContact O-CG 3.31Å; D871-E875 PolarHBondContact O-N 2.92Å; E875-R879 WeakPolarHBondContact O-CB 3.39Å; E875-R879 PolarHBondContact O-N 2.88Å; E875-R879 VanDerWaalsContact O-N 3.07Å
876	E	73.1	Confident	68.4	Low	74 Å²	74	100.3 Å²	100.3	35%	0.346	51%	0.506	S	S	.	.	H	α-helix	trans	-70.3	-35.6	176.7	-175.5	157.9	-126.3	0	0	112.3	V872 F873 D874 R879 L880	V872-E876 WeakPolarHBondContact O-CB 3.34Å; V872-E876 PolarHBondContact O-N 2.82Å; F873-E876 PolarHBondContact O-N 2.99Å; D874-E876 VanDerWaalsContact C-N 3.31Å; D874-E876 PolarHBondContact O-N 2.99Å; E876-R879 PolarHBondContact O-N 2.91Å; E876-R879 IonicContact OE1-NH1 2.68Å; E876-L880 HydrophobicContact CG-CD1 3.81Å; E876-L880 HydrophobicContact CG-CG 4.31Å; E876-L880 WeakPolarHBondContact O-CB 3.22Å; E876-L880 VanDerWaalsContact O-CG 3.26Å; E876-L880 WeakPolarHBondContact O-CG 3.47Å; E876-L880 PolarHBondContact O-N 3.46Å
877	S	72.2	Confident	67.1	Low	22 Å²	22	100.7 Å²	100.7	15%	0.154	51%	0.512	C	S	.	.	H	α-helix	trans	-70.1	-39.2	178.1	-66.9	0	0	0	0	113	F873 D874 G881 F882	F873-S877 WeakPolarHBondContact CE1-OG 3.43Å; F873-S877 WeakPolarHBondContact O-CB 3.46Å; F873-S877 PolarHBondContact O-N 3.17Å; F873-S877 PolarHBondContact O-OG 3.34Å; D874-S877 PolarHBondContact O-N 2.98Å; D874-S877 VanDerWaalsContact O-N 3.13Å; S877-G881 PolarHBondContact O-N 3.31Å; S877-F882 PolarHBondContact O-N 3.43Å
878	E	70.8	Confident	65.5	Low	146 Å²	146	100.8 Å²	100.8	68%	0.682	52%	0.52	S	S	*	.	H	α-helix	trans	-62.4	-48.5	169.3	-72.8	-160.4	155.4	0	0	110.8	D874 L880 G881	D874-E878 PolarHBondContact O-N 2.9Å; E878-L880 VanDerWaalsContact C-N 3.27Å; E878-L880 PolarHBondContact O-N 3.44Å; E878-G881 WeakPolarHBondContact O-CA 3.12Å; E878-G881 PolarHBondContact O-N 2.91Å
879	R	71.2	Confident	63.8	Low	201 Å²	201	97.6 Å²	97.6	76%	0.758	52%	0.522	S	S	*	.	H	α-helix	trans	-62.1	-30	179.6	175.5	176.2	162.2	-125.8	-5.6	113.6	E875 E876	E875-R879 WeakPolarHBondContact O-CB 3.39Å; E875-R879 PolarHBondContact O-N 2.88Å; E875-R879 VanDerWaalsContact O-N 3.07Å; E876-R879 PolarHBondContact O-N 2.91Å; E876-R879 IonicContact OE1-NH1 2.68Å
880	L	68	Low	61.9	Low	112 Å²	112	102.1 Å²	102.1	59%	0.586	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.9	173.6	-68.5	173	0	0	0	113.4	E876 E878 F882	E876-L880 HydrophobicContact CG-CD1 3.81Å; E876-L880 HydrophobicContact CG-CG 4.31Å; E876-L880 WeakPolarHBondContact O-CB 3.22Å; E876-L880 VanDerWaalsContact O-CG 3.26Å; E876-L880 WeakPolarHBondContact O-CG 3.47Å; E876-L880 PolarHBondContact O-N 3.46Å; E878-L880 VanDerWaalsContact C-N 3.27Å; E878-L880 PolarHBondContact O-N 3.44Å; L880-F882 HydrophobicContact CB-CD2 3.68Å; L880-F882 HydrophobicContact CB-CE2 3.62Å; L880-F882 HydrophobicContact CD1-CE2 4.08Å; L880-F882 HydrophobicContact CG-CE2 4.5Å
881	G	53.6	Low	60.3	Low	34 Å²	34	103.4 Å²	103.4	35%	0.351	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	85.6	6.4	173	0	0	0	0	0	115.8	S877 E878 A883 Q884	S877-G881 PolarHBondContact O-N 3.31Å; E878-G881 WeakPolarHBondContact O-CA 3.12Å; E878-G881 PolarHBondContact O-N 2.91Å; G881-A883 PolarHBondContact O-N 3.07Å; G881-Q884 PolarHBondContact O-N 3.36Å
882	F	54.3	Low	58.2	Low	112 Å²	112	105.2 Å²	105.2	49%	0.491	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.8	-22.6	-177.1	-70.8	-73.7	0	0	0	113.5	S877 L880 Q884 I885 A886	S877-F882 PolarHBondContact O-N 3.43Å; L880-F882 HydrophobicContact CB-CD2 3.68Å; L880-F882 HydrophobicContact CB-CE2 3.62Å; L880-F882 HydrophobicContact CD1-CE2 4.08Å; L880-F882 HydrophobicContact CG-CE2 4.5Å; F882-Q884 PolarHBondContact O-N 3.33Å; F882-Q884 VanDerWaalsContact O-N 3.15Å; F882-I885 HydrophobicContact CD1-CD1 4.01Å; F882-I885 HydrophobicContact CE1-CD1 4.39Å; F882-I885 WeakPolarHBondContact O-CB 3.32Å; F882-I885 PolarHBondContact O-N 3.43Å; F882-A886 PolarHBondContact O-N 3.37Å; F882-A886 VanDerWaalsContact O-N 3.13Å
883	A	53.1	Low	56.2	Low	49 Å²	49	105.6 Å²	105.6	41%	0.405	59%	0.587	S	S	.	*	H	α-helix	trans	-53.7	-31.6	173	0	0	0	0	0	113.6	G881	G881-A883 PolarHBondContact O-N 3.07Å
884	Q	48.9	Very low	54.4	Low	162 Å²	162	106.9 Å²	106.9	76%	0.757	60%	0.604	S	S	*	*	H	α-helix	trans	-79.3	-22.2	176.7	-66.1	-177	-1.2	0	0	113.1	G881 F882 A888	G881-Q884 PolarHBondContact O-N 3.36Å; F882-Q884 PolarHBondContact O-N 3.33Å; F882-Q884 VanDerWaalsContact O-N 3.15Å; Q884-A888 PolarHBondContact O-N 3.01Å
885	I	50.6	Low	52.4	Low	95 Å²	95	111.9 Å²	111.9	49%	0.487	63%	0.625	S	S	.	*	H	α-helix	trans	-79.2	-36.5	176.3	-61.4	179.2	0	0	0	110.4	F882 L887 A888 C889	F882-I885 HydrophobicContact CD1-CD1 4.01Å; F882-I885 HydrophobicContact CE1-CD1 4.39Å; F882-I885 WeakPolarHBondContact O-CB 3.32Å; F882-I885 PolarHBondContact O-N 3.43Å; I885-L887 VanDerWaalsContact C-N 3.26Å; I885-L887 PolarHBondContact O-N 3.19Å; I885-A888 PolarHBondContact O-N 2.99Å; I885-C889 PolarHBondContact O-N 3.25Å
886	A	50	Low	50.4	Low	76 Å²	76	110.6 Å²	110.6	63%	0.628	63%	0.631	S	S	*	*	H	α-helix	trans	-57.6	-38.5	172.9	0	0	0	0	0	112.5	F882	F882-A886 PolarHBondContact O-N 3.37Å; F882-A886 VanDerWaalsContact O-N 3.13Å
887	L	49.1	Very low	48.5	Very low	135 Å²	135	112.5 Å²	112.5	71%	0.707	65%	0.653	S	S	*	*	H	α-helix	trans	-75.5	-21.9	174.7	-72.8	169.3	0	0	0	113.9	I885	I885-L887 VanDerWaalsContact C-N 3.26Å; I885-L887 PolarHBondContact O-N 3.19Å
888	A	45.8	Very low	46.7	Very low	78 Å²	78	119.8 Å²	119.8	65%	0.645	69%	0.686	S	S	*	*	H	α-helix	trans	-80.6	-20.6	176.6	0	0	0	0	0	113.2	Q884 I885 Q890	Q884-A888 PolarHBondContact O-N 3.01Å; I885-A888 PolarHBondContact O-N 2.99Å; A888-Q890 VanDerWaalsContact C-N 3.33Å; A888-Q890 PolarHBondContact O-N 3.28Å
889	C	42.5	Very low	45	Very low	96 Å²	96	120.2 Å²	120.2	65%	0.649	69%	0.693	S	S	*	*			trans	-89.9	51.2	-179.9	-73.3	0	0	0	0	113.7	I885 P891	I885-C889 PolarHBondContact O-N 3.25Å; C889-P891 VanDerWaalsContact O-CD 3.22Å; C889-P891 WeakPolarHBondContact O-CD 3.48Å
890	Q	36.2	Very low	43.2	Very low	156 Å²	156	114.4 Å²	114.4	73%	0.729	70%	0.696	S	S	*	*			trans	-94.3	106.2	165.1	-71.5	-165.3	1.3	0	0	111.6	A888 S892	A888-Q890 VanDerWaalsContact C-N 3.33Å; A888-Q890 PolarHBondContact O-N 3.28Å; Q890-S892 PolarHBondContact O-N 3.06Å
891	P	42.4	Very low	41.5	Very low	119 Å²	119	114.9 Å²	114.9	77%	0.773	70%	0.704	S	S	*	*			trans	-80.1	102.4	167.9	31.3	-32.3	0	0	0	110.6	C889 A893	C889-P891 VanDerWaalsContact O-CD 3.22Å; C889-P891 WeakPolarHBondContact O-CD 3.48Å; P891-A893 PolarHBondContact O-N 3.37Å; P891-A893 VanDerWaalsContact O-N 3.08Å
892	S	33.8	Very low	40.4	Very low	122 Å²	122	119.9 Å²	119.9	85%	0.853	72%	0.723	S	S	*	*			trans	-81.5	79.4	-179.1	61.5	0	0	0	0	113.1	Q890	Q890-S892 PolarHBondContact O-N 3.06Å
893	A	37.9	Very low	39.2	Very low	83 Å²	83	122 Å²	122	69%	0.686	73%	0.733	S	S	*	*			trans	-161.3	142.8	170.5	0	0	0	0	0	111.2	P891	P891-A893 PolarHBondContact O-N 3.37Å; P891-A893 VanDerWaalsContact O-N 3.08Å
894	T	37.8	Very low	38	Very low	140 Å²	140	126.1 Å²	126.1	86%	0.859	75%	0.749	S	S	*	*			cis	-157.7	158.9	-12.4	10.6	0	0	0	0	108.7
895	Q	31.8	Very low	37.1	Very low	199 Å²	199	125.3 Å²	125.3	93%	0.93	76%	0.755	S	S	*	*			trans	-85.9	123.6	-178.9	-65.8	168.9	-33.3	0	0	113.4
896	S	35.2	Very low	36	Very low	111 Å²	111	126.3 Å²	126.3	78%	0.776	77%	0.771	S	S	*	*			trans	-170.4	106.8	149.2	55.3	0	0	0	0	108.8
897	S	32.6	Very low	35	Very low	114 Å²	114	126.4 Å²	126.4	80%	0.797	78%	0.779	S	S	*	*				77.4	93.8	67.7	179.1	0	0	0	0	114.1
898	M	35.8	Very low	34.2	Very low	175 Å²	175	124.8 Å²	124.8	86%	0.862	79%	0.785	S	S	*	*				-161.7	162.3	123.2	-114.2	176.1	177.5	0	0	113.3
899	D	33.5	Very low	33.4	Very low	156 Å²	156	130.5 Å²	130.5	83%	0.834	80%	0.799	S	S	*	*			trans	-56.4	160	-162	-54	-66.7	0	0	0	118.9
900	G	33.6	Very low	33	Very low	79 Å²	79	135.3 Å²	135.3	81%	0.814	81%	0.811	S	S	*	*			trans	171.8	82.8	169.6	0	0	0	0	0	113.7
901	T	33.6	Very low	32.8	Very low	122 Å²	122	136.9 Å²	136.9	75%	0.748	82%	0.819	S	S	*	*			trans	-93.3	148.9	-173	53.1	0	0	0	0	115.4
902	N	29.4	Very low	32.1	Very low	139 Å²	139	137.2 Å²	137.2	74%	0.743	82%	0.819	S	S	*	*			trans	88.1	134.4	147.7	-67.9	-9.4	0	0	0	122
903	H	30.2	Very low	31.8	Very low	155 Å²	155	138.3 Å²	138.3	72%	0.718	82%	0.815	S	S	*	*			trans	63	122.1	147.9	-80.6	-68.5	0	0	0	122
904	D	27.2	Very low	31.4	Very low	136 Å²	136	142.3 Å²	142.3	73%	0.727	83%	0.825	S	S	*	*			trans	26.2	103.1	130.9	-53.7	-47.6	0	0	0	118.2
905	T	30.9	Very low	30.9	Very low	145 Å²	145	142.8 Å²	142.8	89%	0.89	82%	0.821	S	S	*	*			trans	-155.3	151.2	134.6	-6.2	0	0	0	0	112.7
906	S	27.7	Very low	30.8	Very low	117 Å²	117	139 Å²	139	82%	0.818	81%	0.814	S	S	*	*			trans	-75.8	150.1	178.1	52	0	0	0	0	113.9
907	G	28.7	Very low	30.4	Very low	77 Å²	77	139.1 Å²	139.1	79%	0.794	82%	0.815	S	S	*	*			trans	130.8	106.8	142.2	0	0	0	0	0	116.4
908	A	32	Very low	30.4	Very low	102 Å²	102	139.4 Å²	139.4	84%	0.843	82%	0.817	S	S	*	*			trans	176.1	63.8	144.5	0	0	0	0	0	111.4
909	E	29.5	Very low	30.1	Very low	198 Å²	198	136.3 Å²	136.3	93%	0.925	81%	0.813	S	S	*	*			trans	-104.7	115.7	157.4	-72.5	-171.3	147.5	0	0	107.6	E911	E909-E911 PolarHBondContact O-N 3.45Å
910	E	33	Very low	29.9	Very low	196 Å²	196	134.2 Å²	134.2	92%	0.916	81%	0.81	S	S	*	*			trans	-81.5	102.7	175.2	-79.2	-170.5	137.5	0	0	110.8
911	E	31.6	Very low	29.8	Very low	189 Å²	189	135.7 Å²	135.7	88%	0.883	81%	0.808	S	S	*	*			trans	48.2	89.7	148.7	-55.8	-161.3	143.3	0	0	118.2	E909	E909-E911 PolarHBondContact O-N 3.45Å
912	T	27.6	Very low	29.6	Very low	127 Å²	127	136.2 Å²	136.2	78%	0.779	81%	0.811	S	S	*	*			trans	-119.4	141.5	134.8	61.6	0	0	0	0	110.4
913	N	28	Very low	29.6	Very low	145 Å²	145	134.2 Å²	134.2	78%	0.775	81%	0.814	S	S	*	*			trans	54.2	111.8	166.8	-60.4	-44	0	0	0	118.7
914	N	30.5	Very low	29.7	Very low	166 Å²	166	131.1 Å²	131.1	89%	0.888	81%	0.81	S	S	*	*				-150.6	139.8	123.2	-111.3	-45.8	0	0	0	112.5
915	L	26.7	Very low	29.8	Very low	150 Å²	150	131.7 Å²	131.7	79%	0.785	81%	0.813	S	S	*	*			trans	-73.9	162.7	160	-68.6	87.1	0	0	0	108.5
916	P	30.3	Very low	29.9	Very low	119 Å²	119	132.1 Å²	132.1	77%	0.773	81%	0.809	S	S	*	*				-131.2	126.2	119	34.3	-27.6	0	0	0	113.1
917	S	26.7	Very low	30	Very low	114 Å²	114	135.7 Å²	135.7	80%	0.797	81%	0.81	S	S	*	*			trans	-60.9	131.5	159.4	52.5	0	0	0	0	110.4
918	S	31.8	Very low	30.2	Very low	121 Å²	121	138.7 Å²	138.7	85%	0.846	81%	0.813	S	S	*	*			trans	-137.6	115.9	163.1	55.5	0	0	0	0	111
919	S	30.2	Very low	30.3	Very low	110 Å²	110	138.9 Å²	138.9	77%	0.769	81%	0.808	S	S	*	*			trans	-116	110.5	176.9	56.3	0	0	0	0	110.2
920	S	28.3	Very low	30.4	Very low	112 Å²	112	137.9 Å²	137.9	78%	0.783	81%	0.809	S	S	*	*			trans	41.3	112.6	150.6	61.4	0	0	0	0	120.2
921	S	31.5	Very low	30.5	Very low	109 Å²	109	132.6 Å²	132.6	76%	0.762	80%	0.799	S	S	*	*			trans	-156.8	115.1	130.7	51	0	0	0	0	113.9
922	T	30	Very low	30.8	Very low	133 Å²	133	129.7 Å²	129.7	82%	0.816	80%	0.796	S	S	*	*			trans	36.3	135.6	141.5	55.5	0	0	0	0	123.2
923	A	29	Very low	31.1	Very low	97 Å²	97	129.7 Å²	129.7	80%	0.802	80%	0.8	S	S	*	*			trans	74.1	144.7	152.2	0	0	0	0	0	118
924	S	32.4	Very low	31.4	Very low	91 Å²	91	127.7 Å²	127.7	64%	0.636	80%	0.798	S	S	*	*			cis	-168.1	147.1	-13.5	52.5	0	0	0	0	111.9
925	N	30.1	Very low	32.5	Very low	148 Å²	148	129.4 Å²	129.4	79%	0.791	82%	0.817	S	S	*	*			trans	64.8	155.6	167.9	-54	-54.7	0	0	0	115.4
926	L	32.8	Very low	32.8	Very low	153 Å²	153	128.4 Å²	128.4	80%	0.801	82%	0.819	S	S	*	*			cis	-119.1	154.6	-4.8	-73.3	82.8	0	0	0	108.6
927	K	28.7	Very low	32.9	Very low	193 Å²	193	128.8 Å²	128.8	84%	0.839	82%	0.822	S	S	*	*				26	128.6	94.8	-59.2	176.9	-179.1	176.6	0	113.6
928	T	34.2	Very low	33.2	Very low	140 Å²	140	129.7 Å²	129.7	86%	0.859	82%	0.823	S	S	*	*				-144.5	154.3	58.3	39.9	0	0	0	0	115.2
929	S	34.1	Very low	33.3	Very low	105 Å²	105	130.2 Å²	130.2	73%	0.734	82%	0.822	S	S	*	*			trans	-84.1	146.7	163.6	50.2	0	0	0	0	111.3
930	N	31.9	Very low	33.5	Very low	177 Å²	177	131.4 Å²	131.4	95%	0.947	83%	0.825	S	S	*	*			trans	-68.3	132.1	161.8	-92	-17.4	0	0	0	110.6
931	A	33.8	Very low	33.9	Very low	86 Å²	86	132.7 Å²	132.7	71%	0.711	83%	0.828	S	S	*	*			trans	-139.7	147	165.1	0	0	0	0	0	108.2
932	P	38.9	Very low	34	Very low	128 Å²	128	134.4 Å²	134.4	83%	0.831	83%	0.832	S	S	*	*			trans	-80	165.4	-171	33.1	-36.7	0	0	0	113.5
933	C	33	Very low	34.3	Very low	126 Å²	126	134.5 Å²	134.5	85%	0.851	83%	0.833	S	S	*	*			trans	-71.5	159.5	179.2	-59.1	0	0	0	0	114.2
934	S	34.4	Very low	34.8	Very low	104 Å²	104	137.7 Å²	137.7	73%	0.727	84%	0.836	S	S	*	*			trans	-141.8	165.1	158.7	-48	0	0	0	0	106.2
935	P	53.1	Low	35	Very low	201 Å²	201	141.9 Å²	141.9	100%	1.305	85%	0.854	S	S	*	*			cis	-78.3	0	39	-19.2	34.3	0	0	0	116.2

Retrieved 935 of 935 residues in 655 ms (Link to these results)

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