A0A077ZLS4_TRITR Loading...

FSH1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLS4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 798 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	34.9	Very low	244 Å²	244	115.7 Å²	115.7	100%	1.202	66%	0.659	S	S	*	*				0	123.2	0	-70.4	-179.4	177.7	0	0	109
2	A	27.1	Very low	34.9	Very low	102 Å²	102	118.9 Å²	118.9	84%	0.843	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-72.1	144.1	163.4	0	0	0	0	0	108.8
3	S	30.7	Very low	35	Very low	108 Å²	108	114.8 Å²	114.8	76%	0.755	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-61.2	141.1	-175.3	30.3	0	0	0	0	112.5
4	P	32.8	Very low	34.6	Very low	98 Å²	98	119.2 Å²	119.2	64%	0.636	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-65.2	136.8	179.7	25.8	-32.9	0	0	0	111.8	Y24	P4-Y24 HydrophobicContact CB-CD1 3.71Å; P4-Y24 HydrophobicContact CB-CE1 4.1Å; P4-Y24 HydrophobicContact CB-CG 4.41Å; P4-Y24 HydrophobicContact CG-CD1 4.27Å; P4-Y24 HydrophobicContact CG-CE1 4.21Å
5	Q	34.2	Very low	34.6	Very low	164 Å²	164	114.5 Å²	114.5	77%	0.766	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-86.7	130.6	177.4	-79.8	-173.7	-6.1	0	0	111.6	Y24	Q5-Y24 WeakPolarHBondContact O-CD1 3.25Å
6	L	36.5	Very low	34.3	Very low	77 Å²	77	115.7 Å²	115.7	40%	0.403	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-74.3	125.5	174.8	177.2	66.5	0	0	0	110	T9 E22 Y24	L6-T9 HydrophobicContact CD2-CG2 3.74Å; L6-T9 HydrophobicContact CG-CG2 4.46Å; L6-E22 HydrophobicContact CD1-CB 3.54Å; L6-E22 HydrophobicContact CD1-CG 3.65Å; L6-Y24 HydrophobicContact CB-CE1 4.39Å
7	L	38.6	Very low	34	Very low	100 Å²	100	116.8 Å²	116.8	52%	0.524	67%	0.665	S	S	.	*			trans	-95.9	-39.2	-174.6	-68.4	170.5	0	0	0	114.3	I23 A25	L7-I23 PolarHBondContact N-O 3.21Å; L7-A25 HydrophobicContact CD1-CB 3.03Å; L7-A25 VanDerWaalsContact CD1-N 3.29Å; L7-A25 HydrophobicContact CG-CB 4.47Å
8	V	38.4	Very low	34	Very low	81 Å²	81	115.1 Å²	115.1	49%	0.491	68%	0.677	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-151.5	138.7	178.3	-175.9	0	0	0	0	109.5
9	T	38.3	Very low	34.1	Very low	93 Å²	93	119.5 Å²	119.5	57%	0.571	68%	0.681	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.8	124.3	170.3	49.2	0	0	0	0	110.4	L6 E11	L6-T9 HydrophobicContact CD2-CG2 3.74Å; L6-T9 HydrophobicContact CG-CG2 4.46Å; T9-E11 PolarHBondContact O-N 3.21Å
10	G	39.4	Very low	34.2	Very low	16 Å²	16	119.3 Å²	119.3	17%	0.165	68%	0.683	C	S	.	*	S	Bend	trans	-78.2	66.7	-164.8	0	0	0	0	0	118.1	L21	G10-L21 PolarHBondContact N-O 3.02Å
11	E	36.1	Very low	34.6	Very low	190 Å²	190	115.2 Å²	115.2	89%	0.888	66%	0.659	S	S	*	*	S	Bend	trans	-75.1	-32.3	154.9	-73.6	-166.2	166.9	0	0	111.4	T9	T9-E11 PolarHBondContact O-N 3.21Å
12	D	34	Very low	34.9	Very low	154 Å²	154	106.6 Å²	106.6	82%	0.824	62%	0.615	S	S	*	*	S	Bend	trans	-89.7	-6.6	180	-65	-38.3	0	0	0	114.4	I14	D12-I14 PolarHBondContact O-N 3.36Å
13	L	37.1	Very low	35.7	Very low	66 Å²	66	103.4 Å²	103.4	35%	0.346	58%	0.584	S	S	.	*			trans	-92.5	89.6	179.8	-71.3	163.5	0	0	0	109.1	A15 L21 I23	L13-A15 PolarHBondContact O-N 2.88Å; L13-L21 HydrophobicContact CD1-CB 4.38Å; L13-I23 HydrophobicContact CD1-CD1 3.61Å; L13-I23 HydrophobicContact CD1-CG1 4.27Å; L13-I23 HydrophobicContact CD2-CD1 4.35Å
14	I	29.2	Very low	36.2	Very low	176 Å²	176	100.4 Å²	100.4	90%	0.903	56%	0.556	S	S	*	*			trans	-68.5	79	175	-51.8	173	0	0	0	109.2	D12	D12-I14 PolarHBondContact O-N 3.36Å
15	A	34.8	Very low	36.4	Very low	49 Å²	49	98.8 Å²	98.8	41%	0.405	55%	0.551	S	S	.	*	S	Bend	trans	-130.5	86.6	170.4	0	0	0	0	0	108.4	L13 L21	L13-A15 PolarHBondContact O-N 2.88Å; A15-L21 HydrophobicContact CB-CD1 3.82Å
16	N	29.1	Very low	36.6	Very low	133 Å²	133	94.2 Å²	94.2	71%	0.711	53%	0.534	S	S	*	.	S	Bend	trans	63.8	126.1	-176.6	-81.6	-39.9	0	0	0	116.1	G18	N16-G18 PolarHBondContact O-N 2.92Å
17	P	29.2	Very low	36.7	Very low	135 Å²	135	99.8 Å²	99.8	88%	0.877	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	128.5	174.9	-16.5	28.3	0	0	0	111.1
18	G	35.2	Very low	36.6	Very low	86 Å²	86	100 Å²	100	89%	0.887	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	97.8	9.3	170.7	0	0	0	0	0	116.7	N16	N16-G18 PolarHBondContact O-N 2.92Å
19	R	35.2	Very low	36.5	Very low	198 Å²	198	99.4 Å²	99.4	75%	0.747	57%	0.569	S	S	*	*			trans	-122.7	122.1	170.7	-66.2	-167.9	179.6	-169.3	0.1	111.2	L21	R19-L21 PolarHBondContact O-N 3Å
20	T	36.8	Very low	36	Very low	116 Å²	116	100.8 Å²	100.8	71%	0.712	57%	0.572	S	S	*	*			trans	-72.2	116.7	169.1	20.2	0	0	0	0	109.4
21	L	40.8	Very low	36	Very low	34 Å²	34	105.8 Å²	105.8	18%	0.178	60%	0.595	C	S	.	*			trans	-89.4	124.8	170.7	-124	119.9	0	0	0	108.8	G10 L13 A15 R19 I23 V39	G10-L21 PolarHBondContact N-O 3.02Å; L13-L21 HydrophobicContact CD1-CB 4.38Å; A15-L21 HydrophobicContact CB-CD1 3.82Å; R19-L21 PolarHBondContact O-N 3Å; L21-I23 HydrophobicContact CD2-CD1 4.27Å; L21-I23 HydrophobicContact CD2-CG1 3.91Å; L21-V39 HydrophobicContact CD2-CG2 3.66Å; L21-V39 HydrophobicContact CG-CG1 4.15Å; L21-V39 HydrophobicContact CG-CG2 4.12Å
22	E	40	Very low	36	Very low	63 Å²	63	101.6 Å²	101.6	29%	0.294	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.1	114	171.2	-70.3	-175.6	170	0	0	107.8	L6 Y24 A38	L6-E22 HydrophobicContact CD1-CB 3.54Å; L6-E22 HydrophobicContact CD1-CG 3.65Å; E22-Y24 HydrophobicContact CB-CE2 4.2Å; E22-Y24 PolarHBondContact OE2-OH 3.48Å; E22-A38 VanDerWaalsContact O-O 3.13Å
23	I	43.9	Very low	35.9	Very low	34 Å²	34	97.8 Å²	97.8	17%	0.174	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.5	118.7	-179	-58.6	178	0	0	0	108.9	L7 L13 L21	L7-I23 PolarHBondContact N-O 3.21Å; L13-I23 HydrophobicContact CD1-CD1 3.61Å; L13-I23 HydrophobicContact CD1-CG1 4.27Å; L13-I23 HydrophobicContact CD2-CD1 4.35Å; L21-I23 HydrophobicContact CD2-CD1 4.27Å; L21-I23 HydrophobicContact CD2-CG1 3.91Å
24	Y	41.8	Very low	35.9	Very low	45 Å²	45	99.2 Å²	99.2	18%	0.176	56%	0.562	C	S	.	*	B	Isolated β-bridge	trans	-99.5	117.4	171.1	-59.7	-84.2	0	0	0	108.3	P4 Q5 L6 E22	P4-Y24 HydrophobicContact CB-CD1 3.71Å; P4-Y24 HydrophobicContact CB-CE1 4.1Å; P4-Y24 HydrophobicContact CB-CG 4.41Å; P4-Y24 HydrophobicContact CG-CD1 4.27Å; P4-Y24 HydrophobicContact CG-CE1 4.21Å; Q5-Y24 WeakPolarHBondContact O-CD1 3.25Å; L6-Y24 HydrophobicContact CB-CE1 4.39Å; E22-Y24 HydrophobicContact CB-CE2 4.2Å; E22-Y24 PolarHBondContact OE2-OH 3.48Å
25	A	36.3	Very low	36.6	Very low	65 Å²	65	94.8 Å²	94.8	54%	0.537	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-73.2	151.8	-179.2	0	0	0	0	0	112.1	L7	L7-A25 HydrophobicContact CD1-CB 3.03Å; L7-A25 VanDerWaalsContact CD1-N 3.29Å; L7-A25 HydrophobicContact CG-CB 4.47Å
26	V	38	Very low	36.8	Very low	67 Å²	67	95.5 Å²	95.5	41%	0.406	54%	0.536	S	S	.	.			trans	-122.8	139.4	-179	179.6	0	0	0	0	109.4	I36	V26-I36 HydrophobicContact CB-CB 3.72Å; V26-I36 HydrophobicContact CB-CG1 4.5Å; V26-I36 HydrophobicContact CB-CG2 4.39Å; V26-I36 HydrophobicContact CG1-CB 3.8Å; V26-I36 HydrophobicContact CG1-CD1 3.8Å; V26-I36 HydrophobicContact CG1-CG1 4.11Å; V26-I36 HydrophobicContact CG1-CG2 4.43Å; V26-I36 HydrophobicContact CG2-CB 3.76Å; V26-I36 HydrophobicContact CG2-CG2 3.9Å; V26-I36 WeakPolarHBondContact CG2-O 3.5Å
27	K	38.5	Very low	37.6	Very low	194 Å²	194	90.7 Å²	90.7	84%	0.843	51%	0.513	S	S	*	.			trans	-65	157.9	-173	-166.4	174.9	176.5	-173.9	0	112.8
28	S	36.6	Very low	38.3	Very low	105 Å²	105	85.1 Å²	85.1	73%	0.734	48%	0.478	S	S	*	.	S	Bend	trans	-56.6	127.5	-170.2	53.4	0	0	0	0	116.2
29	A	35.8	Very low	38.9	Very low	69 Å²	69	82 Å²	82	57%	0.57	44%	0.442	S	S	*	.			trans	49.7	111.8	140.9	0	0	0	0	0	120.1
30	L	28.2	Very low	39.3	Very low	121 Å²	121	75.4 Å²	75.4	63%	0.634	42%	0.421	S	S	*	.	B	Isolated β-bridge	trans	-120.2	122.6	153.2	-150.1	123.1	0	0	0	106.6	I33	L30-I33 WeakPolarHBondContact O-CB 3.46Å; L30-I33 PolarHBondContact O-N 2.98Å
31	N	39.6	Very low	40	Very low	122 Å²	122	72.8 Å²	72.8	65%	0.652	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	56	170.4	-59.8	-8.4	0	0	0	116.2	I33	N31-I33 PolarHBondContact O-N 3.26Å; N31-I33 VanDerWaalsContact O-N 3.08Å
32	D	37	Very low	40.4	Very low	102 Å²	102	74.8 Å²	74.8	55%	0.545	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	23.4	177.7	-57.7	-44.4	0	0	0	114.7	S54	D32-S54 PolarHBondContact O-OG 3.42Å
33	I	31.3	Very low	40.8	Very low	73 Å²	73	80.9 Å²	80.9	37%	0.374	45%	0.448	S	S	.	.	B	Isolated β-bridge	trans	-101.5	107.4	175.4	-60	170.2	0	0	0	109	L30 N31 V50	L30-I33 WeakPolarHBondContact O-CB 3.46Å; L30-I33 PolarHBondContact O-N 2.98Å; N31-I33 PolarHBondContact O-N 3.26Å; N31-I33 VanDerWaalsContact O-N 3.08Å; I33-V50 HydrophobicContact CG2-CG1 3.41Å; I33-V50 VanDerWaalsContact CG2-CG1 3.41Å
34	H	36.8	Very low	40.8	Very low	96 Å²	96	90.1 Å²	90.1	44%	0.444	48%	0.481	S	S	.	.			trans	-94.3	123.6	179.1	-70.5	-77.7	0	0	0	112.4	S54	H34-S54 PolarHBondContact CD2-OG 2.92Å
35	L	42.9	Very low	40.6	Very low	84 Å²	84	91.1 Å²	91.1	44%	0.44	49%	0.492	S	S	.	.			trans	74.3	130.1	165.9	-87	136.3	0	0	0	118.3	A75	L35-A75 HydrophobicContact CD1-CB 4.47Å
36	I	40.4	Very low	40.9	Very low	63 Å²	63	93.3 Å²	93.3	32%	0.323	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.8	173.6	-58.4	179.2	0	0	0	106.7	V26 I48 Y49 V50	V26-I36 HydrophobicContact CB-CB 3.72Å; V26-I36 HydrophobicContact CB-CG1 4.5Å; V26-I36 HydrophobicContact CB-CG2 4.39Å; V26-I36 HydrophobicContact CG1-CB 3.8Å; V26-I36 HydrophobicContact CG1-CD1 3.8Å; V26-I36 HydrophobicContact CG1-CG1 4.11Å; V26-I36 HydrophobicContact CG1-CG2 4.43Å; V26-I36 HydrophobicContact CG2-CB 3.76Å; V26-I36 HydrophobicContact CG2-CG2 3.9Å; V26-I36 WeakPolarHBondContact CG2-O 3.5Å; I36-I48 HydrophobicContact CG2-CG2 3.34Å; I36-Y49 CarbonylContact C-O 3.44Å; I36-Y49 VanDerWaalsContact CA-O 3.25Å; I36-Y49 WeakPolarHBondContact CA-O 3.01Å; I36-V50 HydrophobicContact CG1-CG2 4.28Å
37	C	44.5	Very low	41.2	Very low	33 Å²	33	93.2 Å²	93.2	22%	0.223	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.8	176.5	179	0	0	0	0	109.7	I48 Y49	C37-I48 CarbonylContact O-C 3.57Å; C37-I48 WeakPolarHBondContact O-CA 3.19Å; C37-Y49 PolarHBondContact N-O 3.27Å; C37-Y49 PolarHBondContact O-N 3.16Å
38	A	45.3	Very low	41.4	Very low	17 Å²	17	89.2 Å²	89.2	14%	0.14	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.5	175.9	0	0	0	0	0	111	E22 K47 I48	E22-A38 VanDerWaalsContact O-O 3.13Å; A38-K47 CarbonylContact C-O 3.37Å; A38-K47 WeakPolarHBondContact CA-O 3.3Å; A38-I48 HydrophobicContact CB-CG1 4.17Å
39	V	46.7	Very low	41.8	Very low	22 Å²	22	86.5 Å²	86.5	13%	0.133	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.7	176.1	-177.7	0	0	0	0	109.7	L21 T41 F46 K47 Y49	L21-V39 HydrophobicContact CD2-CG2 3.66Å; L21-V39 HydrophobicContact CG-CG1 4.15Å; L21-V39 HydrophobicContact CG-CG2 4.12Å; V39-T41 PolarHBondContact O-N 3.03Å; V39-F46 CarbonylContact O-C 3.28Å; V39-F46 WeakPolarHBondContact O-CA 3.26Å; V39-K47 PolarHBondContact N-O 2.92Å; V39-K47 PolarHBondContact O-N 2.81Å; V39-Y49 HydrophobicContact CG2-CD2 4.38Å; V39-Y49 HydrophobicContact CG2-CE2 3.85Å
40	N	45.2	Very low	42.1	Very low	58 Å²	58	87.6 Å²	87.6	31%	0.31	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	126.3	172.4	-172.2	-8.7	0	0	0	110.2	S42 F46	N40-S42 VanDerWaalsContact OD1-C 3.29Å; N40-S42 PolarHBondContact OD1-N 3.24Å; N40-S42 PolarHBondContact OD1-O 3.19Å; N40-F46 HydrophobicContact CB-CD1 4.24Å; N40-F46 HydrophobicContact CB-CE1 4.15Å
41	T	51.5	Low	42.8	Very low	61 Å²	61	85.9 Å²	85.9	37%	0.374	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-17.5	176.8	56	0	0	0	0	113.3	V39 T45 K47	V39-T41 PolarHBondContact O-N 3.03Å; T41-T45 PolarHBondContact N-O 3.16Å; T41-T45 WeakPolarHBondContact OG1-CB 3.39Å; T41-T45 PolarHBondContact OG1-O 2.84Å; T41-K47 HydrophobicContact CG2-CB 4.46Å; T41-K47 HydrophobicContact CG2-CD 3.83Å; T41-K47 HydrophobicContact CG2-CG 3.82Å
42	S	49.2	Very low	43	Very low	77 Å²	77	84.1 Å²	84.1	54%	0.538	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	166.2	178.2	-79.6	0	0	0	0	109.5	N40 W44 T45	N40-S42 VanDerWaalsContact OD1-C 3.29Å; N40-S42 PolarHBondContact OD1-N 3.24Å; N40-S42 PolarHBondContact OD1-O 3.19Å; S42-W44 PolarHBondContact O-N 2.93Å; S42-T45 PolarHBondContact O-N 2.5Å
43	F	47.9	Very low	43.1	Very low	190 Å²	190	82 Å²	82	83%	0.833	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.5	-20.5	-176.2	-90.9	-83.1	0	0	0	116.7
44	W	42.6	Very low	43.7	Very low	228 Å²	228	80.4 Å²	80.4	86%	0.864	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.1	22.4	-177.9	-54.8	98.1	0	0	0	114.1	S42	S42-W44 PolarHBondContact O-N 2.93Å
45	T	38.2	Very low	43.7	Very low	67 Å²	67	82 Å²	82	41%	0.411	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	117.1	-174.1	-38.8	0	0	0	0	112.9	T41 S42	T41-T45 PolarHBondContact N-O 3.16Å; T41-T45 WeakPolarHBondContact OG1-CB 3.39Å; T41-T45 PolarHBondContact OG1-O 2.84Å; S42-T45 PolarHBondContact O-N 2.5Å
46	F	41.9	Very low	43.6	Very low	110 Å²	110	87.8 Å²	87.8	48%	0.482	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.8	179.4	-59.9	-90.2	0	0	0	110.9	V39 N40	V39-F46 CarbonylContact O-C 3.28Å; V39-F46 WeakPolarHBondContact O-CA 3.26Å; N40-F46 HydrophobicContact CB-CD1 4.24Å; N40-F46 HydrophobicContact CB-CE1 4.15Å
47	K	45.1	Very low	43.7	Very low	66 Å²	66	93.4 Å²	93.4	29%	0.287	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.6	171.1	-77.3	-170.4	173	-163.9	0	109.9	A38 V39 T41 E91	A38-K47 CarbonylContact C-O 3.37Å; A38-K47 WeakPolarHBondContact CA-O 3.3Å; V39-K47 PolarHBondContact N-O 2.92Å; V39-K47 PolarHBondContact O-N 2.81Å; T41-K47 HydrophobicContact CG2-CB 4.46Å; T41-K47 HydrophobicContact CG2-CD 3.83Å; T41-K47 HydrophobicContact CG2-CG 3.82Å; K47-E91 WeakPolarHBondContact CE-OE1 3.41Å; K47-E91 IonicContact NZ-OE1 2.64Å; K47-E91 PolarHBondContact NZ-OE1 3.04Å
48	I	43.3	Very low	43.6	Very low	109 Å²	109	98 Å²	98	56%	0.559	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.6	-176.7	-57.2	176.7	0	0	0	109.8	I36 C37 A38	I36-I48 HydrophobicContact CG2-CG2 3.34Å; C37-I48 CarbonylContact O-C 3.57Å; C37-I48 WeakPolarHBondContact O-CA 3.19Å; A38-I48 HydrophobicContact CB-CG1 4.17Å
49	Y	44.2	Very low	43.7	Very low	49 Å²	49	100.1 Å²	100.1	19%	0.192	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.6	174.5	-57.1	-65.7	0	0	0	110.8	I36 C37 V39 F89	I36-Y49 CarbonylContact C-O 3.44Å; I36-Y49 VanDerWaalsContact CA-O 3.25Å; I36-Y49 WeakPolarHBondContact CA-O 3.01Å; C37-Y49 PolarHBondContact N-O 3.27Å; C37-Y49 PolarHBondContact O-N 3.16Å; V39-Y49 HydrophobicContact CG2-CD2 4.38Å; V39-Y49 HydrophobicContact CG2-CE2 3.85Å; Y49-F89 HydrophobicContact CD1-CB 3.62Å; Y49-F89 AromaticContact CD1-CD1 3.48Å; Y49-F89 HydrophobicContact CD1-CD1 3.48Å; Y49-F89 VanDerWaalsContact CD1-CD1 3.48Å; Y49-F89 HydrophobicContact CD1-CE1 4.34Å; Y49-F89 AromaticContact CD1-CG 3.76Å; Y49-F89 HydrophobicContact CD1-CG 3.76Å; Y49-F89 HydrophobicContact CE1-CB 3.14Å; Y49-F89 AromaticContact CE1-CD1 3.67Å; Y49-F89 HydrophobicContact CE1-CD1 3.67Å; Y49-F89 HydrophobicContact CE1-CD2 4.19Å; Y49-F89 AromaticContact CE1-CG 3.43Å; Y49-F89 HydrophobicContact CE1-CG 3.43Å; Y49-F89 VanDerWaalsContact CE1-CG 3.43Å; Y49-F89 AromaticContact CG-CD1 3.95Å; Y49-F89 HydrophobicContact CG-CD1 3.95Å; Y49-F89 HydrophobicContact CG-CE1 4.39Å; Y49-F89 AromaticContact CZ-CG 3.91Å
50	V	42.6	Very low	43.7	Very low	91 Å²	91	99.9 Å²	99.9	55%	0.552	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	127	175.9	-175.5	0	0	0	0	107.7	I33 I36	I33-V50 HydrophobicContact CG2-CG1 3.41Å; I33-V50 VanDerWaalsContact CG2-CG1 3.41Å; I36-V50 HydrophobicContact CG1-CG2 4.28Å
51	I	42.6	Very low	44	Very low	85 Å²	85	106.3 Å²	106.3	44%	0.436	52%	0.515	S	S	.	.			trans	-121.5	143.2	-176.8	-55.6	178.4	0	0	0	109.1
52	N	43	Very low	43.8	Very low	86 Å²	86	106 Å²	106	46%	0.46	53%	0.525	S	S	.	.			trans	-113.5	119.8	175.3	-178.2	-19.1	0	0	0	108.6	S54 V59	N52-S54 PolarHBondContact OD1-N 3.11Å; N52-S54 VanDerWaalsContact OD1-N 3.11Å; N52-V59 WeakPolarHBondContact O-CG2 3.29Å
53	C	40.3	Very low	43.4	Very low	58 Å²	58	110.5 Å²	110.5	39%	0.392	53%	0.53	S	S	.	.			trans	-115.9	5.8	-177.8	-72.7	0	0	0	0	114.1	V59	C53-V59 HydrophobicContact CB-CG2 4.48Å
54	S	42.7	Very low	43.3	Very low	38 Å²	38	103 Å²	103	27%	0.266	51%	0.506	S	S	.	.			trans	-96.6	5.9	-156.1	-35.2	0	0	0	0	115.5	D32 H34 N52	D32-S54 PolarHBondContact O-OG 3.42Å; H34-S54 PolarHBondContact CD2-OG 2.92Å; N52-S54 PolarHBondContact OD1-N 3.11Å; N52-S54 VanDerWaalsContact OD1-N 3.11Å
55	H	38.2	Very low	43.4	Very low	130 Å²	130	99.8 Å²	99.8	60%	0.602	50%	0.498	S	S	*	.	S	Bend	trans	-138.1	146.6	178.2	-73.5	-75.1	0	0	0	111.6	K57	H55-K57 CarbonylContact O-C 3.59Å; H55-K57 PolarHBondContact O-N 2.97Å
56	E	41.2	Very low	43.7	Very low	206 Å²	206	99.3 Å²	99.3	96%	0.963	50%	0.497	S	S	*	.	S	Bend	trans	-46.8	0.6	178.5	-61.8	178.3	148.9	0	0	116.7	E58	E56-E58 PolarHBondContact O-N 2.79Å
57	K	40.5	Very low	43.6	Very low	181 Å²	181	96.8 Å²	96.8	79%	0.787	49%	0.49	S	S	*	.	S	Bend	trans	-75.4	106.3	163.9	-72.3	179.1	178	172.2	0	108.7	H55 V59	H55-K57 CarbonylContact O-C 3.59Å; H55-K57 PolarHBondContact O-N 2.97Å; K57-V59 PolarHBondContact O-N 3.03Å
58	E	44.1	Very low	43.6	Very low	129 Å²	129	97 Å²	97	60%	0.603	50%	0.5	S	S	*	.			trans	-38	106.9	172.9	-82	-173.5	140.7	0	0	112.1	E56 C60 R61 G62	E56-E58 PolarHBondContact O-N 2.79Å; E58-C60 PolarHBondContact O-N 2.9Å; E58-R61 WeakPolarHBondContact O-CA 3.29Å; E58-R61 PolarHBondContact O-N 3.16Å; E58-G62 VanDerWaalsContact OE2-CA 3.24Å; E58-G62 WeakPolarHBondContact OE2-CA 3.39Å; E58-G62 PolarHBondContact OE2-N 2.84Å
59	V	47.3	Very low	43.4	Very low	62 Å²	62	97.5 Å²	97.5	38%	0.376	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.4	174.8	179.6	0	0	0	0	110.4	N52 C53 K57 R61	N52-V59 WeakPolarHBondContact O-CG2 3.29Å; C53-V59 HydrophobicContact CB-CG2 4.48Å; K57-V59 PolarHBondContact O-N 3.03Å; V59-R61 VanDerWaalsContact C-N 3.25Å; V59-R61 PolarHBondContact O-N 2.75Å
60	C	46.6	Very low	43.1	Very low	17 Å²	17	101.5 Å²	101.5	12%	0.115	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-9.3	175.2	-65.5	0	0	0	0	113.6	E58 G62 R63 G64 C80	E58-C60 PolarHBondContact O-N 2.9Å; C60-G62 VanDerWaalsContact C-N 3.28Å; C60-G62 PolarHBondContact O-N 2.7Å; C60-R63 WeakPolarHBondContact O-CB 3.37Å; C60-R63 VanDerWaalsContact O-CG 3.25Å; C60-R63 WeakPolarHBondContact O-CG 3.15Å; C60-R63 PolarHBondContact O-N 3.3Å; C60-G64 WeakPolarHBondContact CB-O 3.28Å; C60-G64 PolarHBondContact SG-O 3.29Å; C60-C80 PolarHBondContact SG-SG 2.85Å
61	R	50.7	Low	43.1	Very low	192 Å²	192	104.7 Å²	104.7	73%	0.725	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.8	48.8	-173	-61.9	-175.7	178.8	-173.9	4.1	113	E58 V59 R63	E58-R61 WeakPolarHBondContact O-CA 3.29Å; E58-R61 PolarHBondContact O-N 3.16Å; V59-R61 VanDerWaalsContact C-N 3.25Å; V59-R61 PolarHBondContact O-N 2.75Å; R61-R63 VanDerWaalsContact C-N 3.3Å; R61-R63 WeakPolarHBondContact O-CG 3.41Å; R61-R63 PolarHBondContact O-N 3.4Å
62	G	46.5	Very low	42.8	Very low	56 Å²	56	108.9 Å²	108.9	58%	0.577	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.8	11.7	-178.3	0	0	0	0	0	116.2	E58 C60	E58-G62 VanDerWaalsContact OE2-CA 3.24Å; E58-G62 WeakPolarHBondContact OE2-CA 3.39Å; E58-G62 PolarHBondContact OE2-N 2.84Å; C60-G62 VanDerWaalsContact C-N 3.28Å; C60-G62 PolarHBondContact O-N 2.7Å
63	R	40.9	Very low	42.4	Very low	170 Å²	170	106.4 Å²	106.4	64%	0.642	55%	0.554	S	S	*	*	S	Bend	trans	-101.7	-1.6	-172	-53.5	174	-149.3	175.7	1.6	115.1	C60 R61	C60-R63 WeakPolarHBondContact O-CB 3.37Å; C60-R63 VanDerWaalsContact O-CG 3.25Å; C60-R63 WeakPolarHBondContact O-CG 3.15Å; C60-R63 PolarHBondContact O-N 3.3Å; R61-R63 VanDerWaalsContact C-N 3.3Å; R61-R63 WeakPolarHBondContact O-CG 3.41Å; R61-R63 PolarHBondContact O-N 3.4Å
64	G	46.4	Very low	42.3	Very low	32 Å²	32	110.3 Å²	110.3	33%	0.33	58%	0.579	S	S	.	*			trans	170.8	179.6	-176.4	0	0	0	0	0	111.8	C60	C60-G64 WeakPolarHBondContact CB-O 3.28Å; C60-G64 PolarHBondContact SG-O 3.29Å
65	K	44.6	Very low	42	Very low	162 Å²	162	111.3 Å²	111.3	70%	0.704	59%	0.589	S	S	*	*			trans	-109.7	136.1	178.1	-167.3	178.8	178.2	-175	0	109.8	E81	K65-E81 PolarHBondContact O-N 3.26Å
66	C	43.8	Very low	41.8	Very low	57 Å²	57	107.9 Å²	107.9	39%	0.385	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.6	128.3	169.1	-70.6	0	0	0	0	109.7	V78	C66-V78 HydrophobicContact CB-CG1 3.66Å
67	V	40.4	Very low	41.6	Very low	57 Å²	57	102 Å²	102	35%	0.345	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.4	119.6	175.6	-176.6	0	0	0	0	109	V78 S79	V67-V78 CarbonylContact O-C 3.54Å; V67-V78 VanDerWaalsContact O-CA 3.26Å; V67-V78 WeakPolarHBondContact O-CA 3.2Å; V67-S79 PolarHBondContact N-O 3.45Å; V67-S79 PolarHBondContact O-N 2.9Å
68	S	44.9	Very low	41.6	Very low	70 Å²	70	96.9 Å²	96.9	49%	0.49	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.7	168	52.1	0	0	0	0	109.9	L77	S68-L77 WeakPolarHBondContact CA-O 3.48Å
69	L	40.2	Very low	41.5	Very low	120 Å²	120	94 Å²	94	63%	0.628	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	83.9	168.4	-70.4	167.4	0	0	0	107.1	L77	L69-L77 PolarHBondContact N-O 3.34Å
70	F	37.2	Very low	41.1	Very low	133 Å²	133	93.6 Å²	93.6	58%	0.583	53%	0.53	S	S	*	.			trans	175	115.9	154.1	-89.2	-62.9	0	0	0	108.4	L77	F70-L77 HydrophobicContact CD2-CD1 4.19Å; F70-L77 HydrophobicContact CE2-CD1 3.79Å
71	D	42.5	Very low	40.7	Very low	158 Å²	158	100 Å²	100	85%	0.845	56%	0.558	S	S	*	*	S	Bend	trans	-85.6	121	157.5	-72.9	-33.4	0	0	0	106.4
72	D	37	Very low	40.2	Very low	172 Å²	172	94.7 Å²	94.7	92%	0.92	55%	0.55	S	S	*	.	S	Bend	trans	75.8	42.3	170.3	-55.8	-24.1	0	0	0	120.1
73	G	34.8	Very low	39.5	Very low	34 Å²	34	100.9 Å²	100.9	35%	0.351	56%	0.561	S	S	.	*	S	Bend	trans	-139.6	154.6	168	0	0	0	0	0	114	A75	G73-A75 PolarHBondContact O-N 3.47Å
74	P	37.4	Very low	39	Very low	141 Å²	141	102.2 Å²	102.2	92%	0.916	57%	0.574	S	S	*	*	S	Bend	trans	-73.4	102.6	-167.3	29	-31.9	0	0	0	110.9
75	A	37.5	Very low	38.4	Very low	58 Å²	58	103.9 Å²	103.9	48%	0.479	59%	0.592	S	S	.	*	S	Bend	trans	83	102.1	-175.6	0	0	0	0	0	114.6	L35 G73 L77	L35-A75 HydrophobicContact CD1-CB 4.47Å; G73-A75 PolarHBondContact O-N 3.47Å; A75-L77 PolarHBondContact O-N 3.25Å
76	P	34	Very low	37.5	Very low	58 Å²	58	106.4 Å²	106.4	38%	0.377	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-63.3	133.1	174.5	22.2	-29.8	0	0	0	111.5	V78	P76-V78 PolarHBondContact O-N 3.08Å
77	L	36.3	Very low	36.9	Very low	84 Å²	84	106.9 Å²	106.9	44%	0.44	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-67	117.4	168.5	-93.3	136.6	0	0	0	108.9	S68 L69 F70 A75	S68-L77 WeakPolarHBondContact CA-O 3.48Å; L69-L77 PolarHBondContact N-O 3.34Å; F70-L77 HydrophobicContact CD2-CD1 4.19Å; F70-L77 HydrophobicContact CE2-CD1 3.79Å; A75-L77 PolarHBondContact O-N 3.25Å
78	V	39.3	Very low	36.4	Very low	72 Å²	72	113.8 Å²	113.8	44%	0.436	64%	0.641	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.5	119.9	178.5	-174.9	0	0	0	0	110.2	C66 V67 P76	C66-V78 HydrophobicContact CB-CG1 3.66Å; V67-V78 CarbonylContact O-C 3.54Å; V67-V78 VanDerWaalsContact O-CA 3.26Å; V67-V78 WeakPolarHBondContact O-CA 3.2Å; P76-V78 PolarHBondContact O-N 3.08Å
79	S	42.4	Very low	35.6	Very low	70 Å²	70	116.8 Å²	116.8	49%	0.49	65%	0.645	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.8	151	170	-174.1	0	0	0	0	110.7	V67	V67-S79 PolarHBondContact N-O 3.45Å; V67-S79 PolarHBondContact O-N 2.9Å
80	C	39.4	Very low	34.9	Very low	52 Å²	52	117.1 Å²	117.1	35%	0.351	66%	0.657	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96	119.6	169.3	-65	0	0	0	0	108.6	C60 C82	C60-C80 PolarHBondContact SG-SG 2.85Å; C80-C82 VanDerWaalsContact C-N 3.3Å; C80-C82 PolarHBondContact O-N 3.04Å
81	E	38.7	Very low	34.5	Very low	152 Å²	152	117 Å²	117	71%	0.71	66%	0.658	S	S	*	*			trans	-72.3	89.9	166.5	-167	-178.8	-175.8	0	0	108.4	K65	K65-E81 PolarHBondContact O-N 3.26Å
82	C	39	Very low	33.8	Very low	81 Å²	81	120.8 Å²	120.8	55%	0.547	66%	0.66	S	S	.	*			trans	-77.5	138	-178.4	-67.8	0	0	0	0	111.1	C80	C80-C82 VanDerWaalsContact C-N 3.3Å; C80-C82 PolarHBondContact O-N 3.04Å
83	K	33.3	Very low	33.6	Very low	186 Å²	186	117.3 Å²	117.3	81%	0.809	65%	0.646	S	S	*	*			trans	-60.1	140.3	160.8	-72.5	-176.7	177.9	178	0	109.3	G85	K83-G85 PolarHBondContact O-N 2.77Å
84	E	30.3	Very low	33.6	Very low	198 Å²	198	122.6 Å²	122.6	93%	0.925	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-39.9	130.4	-175.1	-84.4	-175.1	147.6	0	0	113.6
85	G	32.5	Very low	33.5	Very low	67 Å²	67	120.1 Å²	120.1	69%	0.691	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	113.3	1.9	157.7	0	0	0	0	0	119	K83	K83-G85 PolarHBondContact O-N 2.77Å
86	Y	27.7	Very low	33.7	Very low	215 Å²	215	121.6 Å²	121.6	84%	0.843	65%	0.647	S	S	*	*			trans	-145.1	126.3	-175.4	-67.9	-82.8	0	0	0	115.5
87	G	30.4	Very low	34	Very low	67 Å²	67	123.2 Å²	123.2	69%	0.691	66%	0.657	S	S	*	*			trans	-157.9	117	163.7	0	0	0	0	0	110.6
88	Q	29.1	Very low	34.2	Very low	202 Å²	202	122.9 Å²	122.9	94%	0.944	66%	0.66	S	S	*	*			trans	-135.1	124	167.6	-87.8	-170.6	-21.6	0	0	109.8
89	F	29.1	Very low	34.5	Very low	132 Å²	132	125.5 Å²	125.5	58%	0.579	67%	0.665	S	S	*	*			trans	-96.3	148	174.8	-63.2	-95	0	0	0	110	Y49	Y49-F89 HydrophobicContact CD1-CB 3.62Å; Y49-F89 AromaticContact CD1-CD1 3.48Å; Y49-F89 HydrophobicContact CD1-CD1 3.48Å; Y49-F89 VanDerWaalsContact CD1-CD1 3.48Å; Y49-F89 HydrophobicContact CD1-CE1 4.34Å; Y49-F89 AromaticContact CD1-CG 3.76Å; Y49-F89 HydrophobicContact CD1-CG 3.76Å; Y49-F89 HydrophobicContact CE1-CB 3.14Å; Y49-F89 AromaticContact CE1-CD1 3.67Å; Y49-F89 HydrophobicContact CE1-CD1 3.67Å; Y49-F89 HydrophobicContact CE1-CD2 4.19Å; Y49-F89 AromaticContact CE1-CG 3.43Å; Y49-F89 HydrophobicContact CE1-CG 3.43Å; Y49-F89 VanDerWaalsContact CE1-CG 3.43Å; Y49-F89 AromaticContact CG-CD1 3.95Å; Y49-F89 HydrophobicContact CG-CD1 3.95Å; Y49-F89 HydrophobicContact CG-CE1 4.39Å; Y49-F89 AromaticContact CZ-CG 3.91Å
90	C	25.4	Very low	34.6	Very low	128 Å²	128	127.8 Å²	127.8	87%	0.865	67%	0.671	S	S	*	*			trans	-72.1	132.3	171.3	-86.5	0	0	0	0	111.2
91	E	29	Very low	35.1	Very low	129 Å²	129	129.5 Å²	129.5	60%	0.603	68%	0.682	S	S	*	*			trans	-105	135.5	-171.2	178.3	169.5	-142.7	0	0	110.9	K47	K47-E91 WeakPolarHBondContact CE-OE1 3.41Å; K47-E91 IonicContact NZ-OE1 2.64Å; K47-E91 PolarHBondContact NZ-OE1 3.04Å
92	R	28.4	Very low	35.6	Very low	238 Å²	238	127.8 Å²	127.8	90%	0.898	68%	0.677	S	S	*	*			trans	-134.5	123.5	164.1	-118.8	-174.2	172.9	175.7	-1	110.1
93	T	31.9	Very low	36.3	Very low	100 Å²	100	126.5 Å²	126.5	61%	0.613	67%	0.672	S	S	*	*			trans	-106.4	129.6	-178.5	-45.3	0	0	0	0	108.5	P95	T93-P95 VanDerWaalsContact O-CD 3.31Å; T93-P95 WeakPolarHBondContact O-CD 3.4Å
94	I	34	Very low	37.8	Very low	144 Å²	144	119.9 Å²	119.9	74%	0.738	65%	0.652	S	S	*	*			trans	-91	110.8	172	-57.4	175.4	0	0	0	107.5	L96	I94-L96 PolarHBondContact O-N 3.11Å
95	P	35.3	Very low	39.3	Very low	90 Å²	90	112.5 Å²	112.5	58%	0.584	63%	0.629	S	S	*	*			trans	-82.2	117.3	178.3	30.2	-29.9	0	0	0	110.4	T93 T97	T93-P95 VanDerWaalsContact O-CD 3.31Å; T93-P95 WeakPolarHBondContact O-CD 3.4Å; P95-T97 PolarHBondContact O-N 2.76Å
96	L	43.1	Very low	40.8	Very low	88 Å²	88	112.7 Å²	112.7	46%	0.461	62%	0.617	S	S	.	*			trans	-82.5	22.5	-179.4	-90.3	100.9	0	0	0	114.8	I94 P98 F99 I100	I94-L96 PolarHBondContact O-N 3.11Å; L96-P98 VanDerWaalsContact O-N 3.14Å; L96-F99 HydrophobicContact CB-CB 4.33Å; L96-F99 HydrophobicContact CB-CD2 3.75Å; L96-F99 HydrophobicContact CB-CG 4.4Å; L96-F99 HydrophobicContact CD2-CB 3.89Å; L96-F99 HydrophobicContact CD2-CD1 4.12Å; L96-F99 HydrophobicContact CD2-CD2 3.16Å; L96-F99 HydrophobicContact CD2-CE1 4.44Å; L96-F99 HydrophobicContact CD2-CE2 3.55Å; L96-F99 HydrophobicContact CD2-CG 3.46Å; L96-F99 VanDerWaalsContact CD2-CG 3.46Å; L96-F99 HydrophobicContact CD2-CZ 4.18Å; L96-F99 HydrophobicContact CG-CB 4.5Å; L96-F99 HydrophobicContact CG-CD2 3.3Å; L96-F99 HydrophobicContact CG-CE2 3.64Å; L96-F99 HydrophobicContact CG-CG 4.08Å; L96-F99 WeakPolarHBondContact O-CB 3.39Å; L96-F99 PolarHBondContact O-N 3.29Å; L96-I100 PolarHBondContact O-N 3.04Å
97	T	40.3	Very low	42.8	Very low	93 Å²	93	106.4 Å²	106.4	57%	0.571	60%	0.604	S	S	*	*	H	α-helix	trans	-44.4	-41.9	168.8	-40.7	0	0	0	0	114	P95 F99 I100 C101	P95-T97 PolarHBondContact O-N 2.76Å; T97-F99 VanDerWaalsContact C-N 3.27Å; T97-F99 PolarHBondContact O-N 2.88Å; T97-I100 PolarHBondContact O-N 2.85Å; T97-C101 PolarHBondContact O-N 3.28Å
98	P	38.9	Very low	45	Very low	77 Å²	77	108.5 Å²	108.5	50%	0.5	60%	0.598	S	S	.	*	H	α-helix	trans	-62.4	-28.3	176.5	19.3	-30.7	0	0	0	114.6	L96	L96-P98 VanDerWaalsContact O-N 3.14Å
99	F	46	Very low	47	Very low	127 Å²	127	104.1 Å²	104.1	56%	0.557	58%	0.581	S	S	*	*	H	α-helix	trans	-78.1	-29.9	179.2	-65.2	-94	0	0	0	112.3	L96 T97 C101 I102 A103	L96-F99 HydrophobicContact CB-CB 4.33Å; L96-F99 HydrophobicContact CB-CD2 3.75Å; L96-F99 HydrophobicContact CB-CG 4.4Å; L96-F99 HydrophobicContact CD2-CB 3.89Å; L96-F99 HydrophobicContact CD2-CD1 4.12Å; L96-F99 HydrophobicContact CD2-CD2 3.16Å; L96-F99 HydrophobicContact CD2-CE1 4.44Å; L96-F99 HydrophobicContact CD2-CE2 3.55Å; L96-F99 HydrophobicContact CD2-CG 3.46Å; L96-F99 VanDerWaalsContact CD2-CG 3.46Å; L96-F99 HydrophobicContact CD2-CZ 4.18Å; L96-F99 HydrophobicContact CG-CB 4.5Å; L96-F99 HydrophobicContact CG-CD2 3.3Å; L96-F99 HydrophobicContact CG-CE2 3.64Å; L96-F99 HydrophobicContact CG-CG 4.08Å; L96-F99 WeakPolarHBondContact O-CB 3.39Å; L96-F99 PolarHBondContact O-N 3.29Å; T97-F99 VanDerWaalsContact C-N 3.27Å; T97-F99 PolarHBondContact O-N 2.88Å; F99-C101 VanDerWaalsContact C-N 3.35Å; F99-I102 PolarHBondContact O-N 3.46Å; F99-A103 PolarHBondContact O-N 2.69Å; F99-A103 VanDerWaalsContact O-N 3.11Å
100	I	45.6	Very low	49	Very low	118 Å²	118	105.1 Å²	105.1	61%	0.605	59%	0.585	S	S	*	*	H	α-helix	trans	-66	-39.4	174.4	-62.7	171.2	0	0	0	110.4	L96 T97 I102 A103 A104	L96-I100 PolarHBondContact O-N 3.04Å; T97-I100 PolarHBondContact O-N 2.85Å; I100-I102 VanDerWaalsContact C-N 3.32Å; I100-I102 PolarHBondContact O-N 3.34Å; I100-A103 PolarHBondContact O-N 3.29Å; I100-A104 VanDerWaalsContact O-CB 3.23Å; I100-A104 WeakPolarHBondContact O-CB 3.42Å; I100-A104 PolarHBondContact O-N 3.47Å
101	C	49	Very low	51.3	Low	88 Å²	88	100.6 Å²	100.6	60%	0.595	56%	0.56	S	S	*	*	H	α-helix	trans	-61.9	-40	177.7	-66.1	0	0	0	0	112.2	T97 F99 G105	T97-C101 PolarHBondContact O-N 3.28Å; F99-C101 VanDerWaalsContact C-N 3.35Å; C101-G105 PolarHBondContact O-N 3.42Å
102	I	49.1	Very low	53.5	Low	116 Å²	116	99.6 Å²	99.6	60%	0.595	56%	0.559	S	S	*	*	H	α-helix	trans	-70.1	-43	179.5	-65	162.4	0	0	0	111.1	F99 I100 T106	F99-I102 PolarHBondContact O-N 3.46Å; I100-I102 VanDerWaalsContact C-N 3.32Å; I100-I102 PolarHBondContact O-N 3.34Å; I102-T106 WeakPolarHBondContact O-CG2 3.4Å; I102-T106 PolarHBondContact O-N 2.87Å; I102-T106 VanDerWaalsContact O-N 3.17Å; I102-T106 PolarHBondContact O-OG1 3.19Å
103	A	53.7	Low	55.7	Low	54 Å²	54	93.4 Å²	93.4	45%	0.446	54%	0.543	S	S	.	.	H	α-helix	trans	-69.8	-36.8	178.2	0	0	0	0	0	113	F99 I100 T106 S107	F99-A103 PolarHBondContact O-N 2.69Å; F99-A103 VanDerWaalsContact O-N 3.11Å; I100-A103 PolarHBondContact O-N 3.29Å; A103-T106 WeakPolarHBondContact CA-OG1 3.36Å; A103-T106 PolarHBondContact O-OG1 3.14Å; A103-S107 WeakPolarHBondContact O-CB 3.41Å; A103-S107 PolarHBondContact O-N 2.96Å; A103-S107 VanDerWaalsContact O-N 3.13Å; A103-S107 PolarHBondContact O-OG 2.89Å
104	A	64.3	Low	57.6	Low	46 Å²	46	91.2 Å²	91.2	38%	0.38	54%	0.535	S	S	.	.	H	α-helix	trans	-69.6	-42.8	176.7	0	0	0	0	0	111.6	I100 T106 S107 I108	I100-A104 VanDerWaalsContact O-CB 3.23Å; I100-A104 WeakPolarHBondContact O-CB 3.42Å; I100-A104 PolarHBondContact O-N 3.47Å; A104-T106 PolarHBondContact O-N 3.08Å; A104-S107 PolarHBondContact O-N 3.39Å; A104-I108 VanDerWaalsContact O-CG1 3.31Å; A104-I108 WeakPolarHBondContact O-CG1 3.34Å; A104-I108 PolarHBondContact O-N 3.45Å; A104-I108 VanDerWaalsContact O-N 3.09Å
105	G	62.7	Low	59.5	Low	43 Å²	43	89.4 Å²	89.4	44%	0.443	53%	0.525	S	S	.	.	H	α-helix	trans	-61.5	-42.5	177.7	0	0	0	0	0	112.8	C101 L109	C101-G105 PolarHBondContact O-N 3.42Å; G105-L109 PolarHBondContact O-N 3.41Å
106	T	63.6	Low	60.9	Low	72 Å²	72	89.1 Å²	89.1	44%	0.442	52%	0.524	S	S	.	.	H	α-helix	trans	-67.6	-39.8	177.3	47	0	0	0	0	112.4	I102 A103 A104 L109 F110	I102-T106 WeakPolarHBondContact O-CG2 3.4Å; I102-T106 PolarHBondContact O-N 2.87Å; I102-T106 VanDerWaalsContact O-N 3.17Å; I102-T106 PolarHBondContact O-OG1 3.19Å; A103-T106 WeakPolarHBondContact CA-OG1 3.36Å; A103-T106 PolarHBondContact O-OG1 3.14Å; A104-T106 PolarHBondContact O-N 3.08Å; T106-L109 PolarHBondContact O-N 2.95Å; T106-F110 WeakPolarHBondContact O-CD2 3.24Å; T106-F110 PolarHBondContact O-N 3.34Å; T106-F110 VanDerWaalsContact O-N 3.12Å
107	S	70.7	Confident	61.8	Low	82 Å²	82	87 Å²	87	57%	0.573	52%	0.52	S	S	*	.	H	α-helix	trans	-67	-37.9	178.9	-59.7	0	0	0	0	113.2	A103 A104 G111	A103-S107 WeakPolarHBondContact O-CB 3.41Å; A103-S107 PolarHBondContact O-N 2.96Å; A103-S107 VanDerWaalsContact O-N 3.13Å; A103-S107 PolarHBondContact O-OG 2.89Å; A104-S107 PolarHBondContact O-N 3.39Å; S107-G111 PolarHBondContact O-N 2.82Å
108	I	75.1	Confident	62.8	Low	112 Å²	112	86.2 Å²	86.2	57%	0.574	52%	0.515	S	S	*	.	H	α-helix	trans	-66.3	-41.9	177.2	-66.6	166.3	0	0	0	110.6	A104 G111 L112	A104-I108 VanDerWaalsContact O-CG1 3.31Å; A104-I108 WeakPolarHBondContact O-CG1 3.34Å; A104-I108 PolarHBondContact O-N 3.45Å; A104-I108 VanDerWaalsContact O-N 3.09Å; I108-G111 PolarHBondContact O-N 3.33Å; I108-L112 HydrophobicContact CG2-CD1 4.15Å; I108-L112 WeakPolarHBondContact O-CG 3.42Å; I108-L112 PolarHBondContact O-N 3.27Å
109	L	72.5	Confident	63.8	Low	110 Å²	110	86.1 Å²	86.1	58%	0.576	51%	0.513	S	S	*	.	H	α-helix	trans	-63.3	-45.3	179	-169.9	69.1	0	0	0	111.9	G105 T106 G111 L112 L113	G105-L109 PolarHBondContact O-N 3.41Å; T106-L109 PolarHBondContact O-N 2.95Å; L109-G111 VanDerWaalsContact C-N 3.34Å; L109-G111 PolarHBondContact O-N 3.01Å; L109-L112 PolarHBondContact O-N 3.43Å; L109-L113 HydrophobicContact CG-CD1 4.5Å; L109-L113 WeakPolarHBondContact O-CG 3.38Å; L109-L113 PolarHBondContact O-N 2.95Å; L109-L113 VanDerWaalsContact O-N 3.15Å
110	F	70.7	Confident	64.2	Low	153 Å²	153	84.1 Å²	84.1	67%	0.671	51%	0.512	S	S	*	.	H	α-helix	trans	-64	-37.5	175.2	-91.2	-77	0	0	0	112.7	T106 L113 A114	T106-F110 WeakPolarHBondContact O-CD2 3.24Å; T106-F110 PolarHBondContact O-N 3.34Å; T106-F110 VanDerWaalsContact O-N 3.12Å; F110-L113 PolarHBondContact O-N 3.15Å; F110-A114 WeakPolarHBondContact O-CB 3.42Å; F110-A114 PolarHBondContact O-N 3.15Å
111	G	74.3	Confident	64.4	Low	33 Å²	33	83.7 Å²	83.7	34%	0.34	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-43.6	175.7	0	0	0	0	0	113.1	S107 I108 L109 A114 I115	S107-G111 PolarHBondContact O-N 2.82Å; I108-G111 PolarHBondContact O-N 3.33Å; L109-G111 VanDerWaalsContact C-N 3.34Å; L109-G111 PolarHBondContact O-N 3.01Å; G111-A114 PolarHBondContact O-N 3.37Å; G111-I115 VanDerWaalsContact O-CG1 3.31Å; G111-I115 WeakPolarHBondContact O-CG1 3.41Å; G111-I115 PolarHBondContact O-N 3.33Å; G111-I115 VanDerWaalsContact O-N 3.1Å
112	L	74.2	Confident	64.2	Low	108 Å²	108	90.1 Å²	90.1	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-65.1	-41.4	177.9	-71.7	169.3	0	0	0	112	I108 L109 I115 C116	I108-L112 HydrophobicContact CG2-CD1 4.15Å; I108-L112 WeakPolarHBondContact O-CG 3.42Å; I108-L112 PolarHBondContact O-N 3.27Å; L109-L112 PolarHBondContact O-N 3.43Å; L112-I115 PolarHBondContact O-N 2.91Å; L112-C116 PolarHBondContact O-N 2.79Å
113	L	74.3	Confident	63.8	Low	108 Å²	108	93.7 Å²	93.7	57%	0.565	53%	0.533	S	S	*	.	H	α-helix	trans	-64	-40.4	176.5	-72	169.2	0	0	0	112.3	L109 F110 C116 A117	L109-L113 HydrophobicContact CG-CD1 4.5Å; L109-L113 WeakPolarHBondContact O-CG 3.38Å; L109-L113 PolarHBondContact O-N 2.95Å; L109-L113 VanDerWaalsContact O-N 3.15Å; F110-L113 PolarHBondContact O-N 3.15Å; L113-C116 PolarHBondContact O-N 3.31Å; L113-A117 WeakPolarHBondContact O-CB 3.2Å; L113-A117 PolarHBondContact O-N 3.37Å
114	A	72.5	Confident	63.5	Low	54 Å²	54	96.3 Å²	96.3	45%	0.446	54%	0.543	S	S	.	.	H	α-helix	trans	-67.2	-36.1	177	0	0	0	0	0	112.9	F110 G111 A117 T118	F110-A114 WeakPolarHBondContact O-CB 3.42Å; F110-A114 PolarHBondContact O-N 3.15Å; G111-A114 PolarHBondContact O-N 3.37Å; A114-A117 PolarHBondContact O-N 3.37Å; A114-T118 WeakPolarHBondContact O-CB 3.48Å; A114-T118 WeakPolarHBondContact O-CG2 3.34Å; A114-T118 PolarHBondContact O-N 3.49Å; A114-T118 PolarHBondContact O-OG1 3Å
115	I	72.9	Confident	62	Low	106 Å²	106	102.3 Å²	102.3	54%	0.544	56%	0.563	S	S	.	*	H	α-helix	trans	-68.7	-40.6	174.9	-65.8	166.5	0	0	0	110.6	G111 L112 T118 T119	G111-I115 VanDerWaalsContact O-CG1 3.31Å; G111-I115 WeakPolarHBondContact O-CG1 3.41Å; G111-I115 PolarHBondContact O-N 3.33Å; G111-I115 VanDerWaalsContact O-N 3.1Å; L112-I115 PolarHBondContact O-N 2.91Å; I115-T118 WeakPolarHBondContact CA-OG1 3.48Å; I115-T118 PolarHBondContact O-N 3.11Å; I115-T118 PolarHBondContact O-OG1 3.04Å; I115-T118 VanDerWaalsContact O-OG1 3.11Å; I115-T119 WeakPolarHBondContact O-CB 3.48Å; I115-T119 WeakPolarHBondContact O-CG2 3.16Å; I115-T119 PolarHBondContact O-N 3.09Å; I115-T119 PolarHBondContact O-OG1 3.14Å
116	C	65.3	Low	60.5	Low	83 Å²	83	103.2 Å²	103.2	56%	0.561	57%	0.573	S	S	*	*	H	α-helix	trans	-61.1	-46.2	173.1	-102.6	0	0	0	0	111.8	L112 L113 T118 T119 T120	L112-C116 PolarHBondContact O-N 2.79Å; L113-C116 PolarHBondContact O-N 3.31Å; C116-T118 PolarHBondContact O-N 3.21Å; C116-T119 PolarHBondContact O-N 3.43Å; C116-T119 PolarHBondContact O-OG1 2.83Å; C116-T120 PolarHBondContact O-N 3.31Å; C116-T120 VanDerWaalsContact O-N 3.1Å; C116-T120 PolarHBondContact O-OG1 2.78Å
117	A	62.1	Low	58.8	Low	45 Å²	45	110.1 Å²	110.1	37%	0.372	60%	0.597	S	S	.	*	H	α-helix	trans	-64	-38.9	179	0	0	0	0	0	112.9	L113 A114 T120 L121	L113-A117 WeakPolarHBondContact O-CB 3.2Å; L113-A117 PolarHBondContact O-N 3.37Å; A114-A117 PolarHBondContact O-N 3.37Å; A117-T120 WeakPolarHBondContact CA-OG1 3.25Å; A117-T120 PolarHBondContact O-OG1 2.7Å; A117-L121 VanDerWaalsContact O-CB 3.31Å; A117-L121 WeakPolarHBondContact O-CB 3.38Å; A117-L121 VanDerWaalsContact O-CD1 3.32Å; A117-L121 WeakPolarHBondContact O-CD1 3.33Å; A117-L121 WeakPolarHBondContact O-CG 3.21Å; A117-L121 PolarHBondContact O-N 2.87Å
118	T	61.8	Low	56.9	Low	76 Å²	76	110.1 Å²	110.1	47%	0.466	61%	0.61	S	S	.	*	H	α-helix	trans	-75.1	-31.6	179.9	48.9	0	0	0	0	113.1	A114 I115 C116 R122	A114-T118 WeakPolarHBondContact O-CB 3.48Å; A114-T118 WeakPolarHBondContact O-CG2 3.34Å; A114-T118 PolarHBondContact O-N 3.49Å; A114-T118 PolarHBondContact O-OG1 3Å; I115-T118 WeakPolarHBondContact CA-OG1 3.48Å; I115-T118 PolarHBondContact O-N 3.11Å; I115-T118 PolarHBondContact O-OG1 3.04Å; I115-T118 VanDerWaalsContact O-OG1 3.11Å; C116-T118 PolarHBondContact O-N 3.21Å; T118-R122 WeakPolarHBondContact O-CB 3.43Å; T118-R122 PolarHBondContact O-N 3.38Å
119	T	59	Low	54.5	Low	74 Å²	74	112.1 Å²	112.1	45%	0.454	62%	0.62	S	S	.	*	H	α-helix	trans	-74.1	-34.5	176	47.9	0	0	0	0	112.5	I115 C116 K123	I115-T119 WeakPolarHBondContact O-CB 3.48Å; I115-T119 WeakPolarHBondContact O-CG2 3.16Å; I115-T119 PolarHBondContact O-N 3.09Å; I115-T119 PolarHBondContact O-OG1 3.14Å; C116-T119 PolarHBondContact O-N 3.43Å; C116-T119 PolarHBondContact O-OG1 2.83Å; T119-K123 PolarHBondContact O-N 2.62Å
120	T	55.7	Low	52.3	Low	86 Å²	86	113.2 Å²	113.2	53%	0.528	63%	0.626	S	S	.	*	H	α-helix	trans	-69.8	-42.3	171	42.9	0	0	0	0	112	C116 A117 R122 K123 T124	C116-T120 PolarHBondContact O-N 3.31Å; C116-T120 VanDerWaalsContact O-N 3.1Å; C116-T120 PolarHBondContact O-OG1 2.78Å; A117-T120 WeakPolarHBondContact CA-OG1 3.25Å; A117-T120 PolarHBondContact O-OG1 2.7Å; T120-R122 PolarHBondContact O-N 3.33Å; T120-K123 PolarHBondContact O-N 3.46Å; T120-T124 PolarHBondContact O-OG1 3.26Å
121	L	49.1	Very low	50.2	Low	108 Å²	108	114.3 Å²	114.3	57%	0.565	63%	0.633	S	S	*	*	H	α-helix	trans	-65.7	-33.6	176.5	-74.5	165.2	0	0	0	113.3	A117 T124	A117-L121 VanDerWaalsContact O-CB 3.31Å; A117-L121 WeakPolarHBondContact O-CB 3.38Å; A117-L121 VanDerWaalsContact O-CD1 3.32Å; A117-L121 WeakPolarHBondContact O-CD1 3.33Å; A117-L121 WeakPolarHBondContact O-CG 3.21Å; A117-L121 PolarHBondContact O-N 2.87Å; L121-T124 PolarHBondContact O-OG1 3.32Å
122	R	44.1	Very low	47.9	Very low	223 Å²	223	122.1 Å²	122.1	84%	0.842	66%	0.663	S	S	*	*	H	α-helix	trans	-72.4	-25.3	175.3	-87	-176.5	172.9	178.5	-0.4	114	T118 T120	T118-R122 WeakPolarHBondContact O-CB 3.43Å; T118-R122 PolarHBondContact O-N 3.38Å; T120-R122 PolarHBondContact O-N 3.33Å
123	K	42.2	Very low	45.4	Very low	192 Å²	192	128.4 Å²	128.4	84%	0.835	68%	0.679	S	S	*	*	H	α-helix	trans	-80.4	-20.9	179.2	-83.7	-176.5	176.2	178.8	0	113.5	T119 T120	T119-K123 PolarHBondContact O-N 2.62Å; T120-K123 PolarHBondContact O-N 3.46Å
124	T	47.2	Very low	43	Very low	108 Å²	108	132.1 Å²	132.1	66%	0.663	69%	0.69	S	S	*	*	H	α-helix	trans	-102.6	-16.6	-172.6	52	0	0	0	0	114.8	T120 L121 G126	T120-T124 PolarHBondContact O-OG1 3.26Å; L121-T124 PolarHBondContact O-OG1 3.32Å; T124-G126 PolarHBondContact O-N 2.78Å
125	Q	32.4	Very low	40.7	Very low	172 Å²	172	136.1 Å²	136.1	80%	0.804	70%	0.704	S	S	*	*			trans	-103.1	69.5	180	-68	-162.1	-12.4	0	0	113.2
126	G	30	Very low	38.3	Very low	62 Å²	62	140.8 Å²	140.8	64%	0.639	72%	0.716	S	S	*	*	S	Bend	trans	-137.3	62.8	171.5	0	0	0	0	0	111.3	T124	T124-G126 PolarHBondContact O-N 2.78Å
127	K	29.2	Very low	36.5	Very low	218 Å²	218	143.5 Å²	143.5	95%	0.948	73%	0.725	S	S	*	*	S	Bend	trans	163.2	115.9	156.6	-90.3	154.9	-167.3	-173.8	0	109.5
128	G	29.8	Very low	35	Very low	82 Å²	82	148.8 Å²	148.8	85%	0.845	75%	0.747	S	S	*	*			trans	139.5	51.6	167.2	0	0	0	0	0	115.1
129	L	25.9	Very low	33.6	Very low	153 Å²	153	152.9 Å²	152.9	80%	0.801	77%	0.767	S	S	*	*			trans	-71.1	140.1	163.1	-91.1	155.8	0	0	0	110.1
130	I	26.1	Very low	32.3	Very low	133 Å²	133	155.6 Å²	155.6	68%	0.682	78%	0.783	S	S	*	*			trans	60.5	91.4	142.2	-52	162.6	0	0	0	115.5
131	H	25.3	Very low	30.9	Very low	177 Å²	177	159.6 Å²	159.6	82%	0.819	80%	0.8	S	S	*	*			trans	175.5	111.8	131.2	-101.9	-69.4	0	0	0	107.5
132	M	27.1	Very low	29.8	Very low	197 Å²	197	159.2 Å²	159.2	97%	0.97	81%	0.813	S	S	*	*			trans	174.6	79.4	145.5	-83.4	-109.4	-143.4	0	0	108.1
133	R	21.1	Very low	29	Very low	240 Å²	240	155.9 Å²	155.9	91%	0.906	81%	0.81	S	S	*	*			trans	-114.8	99.4	158.2	179.5	-179.6	-174.2	175.8	3.1	105.9
134	K	24.1	Very low	28.1	Very low	186 Å²	186	155.4 Å²	155.4	81%	0.809	81%	0.813	S	S	*	*			trans	162.7	133.4	144.3	-93.7	173.4	178.7	-176.4	0	111.7
135	N	24.4	Very low	27.1	Very low	137 Å²	137	154.6 Å²	154.6	73%	0.733	82%	0.817	S	S	*	*			trans	87.8	115.2	156.4	-63.5	-3.1	0	0	0	119.4
136	Y	23.2	Very low	27	Very low	204 Å²	204	158.5 Å²	158.5	80%	0.8	83%	0.825	S	S	*	*				42.3	132.9	124.5	-76.2	-90.2	0	0	0	117.4
137	D	26.6	Very low	27	Very low	141 Å²	141	160.9 Å²	160.9	75%	0.754	83%	0.829	S	S	*	*			cis	-153.9	152	42.9	-96.1	-46.9	0	0	0	112.5	N139	D137-N139 PolarHBondContact O-N 2.88Å; D137-N139 VanDerWaalsContact O-N 3.14Å
138	D	31.3	Very low	27.3	Very low	156 Å²	156	155 Å²	155	83%	0.834	81%	0.813	S	S	*	*			trans	-68.3	88	173.5	-81.4	-39	0	0	0	112.2
139	N	30.7	Very low	27.9	Very low	162 Å²	162	156.5 Å²	156.5	87%	0.866	80%	0.798	S	S	*	*	S	Bend	trans	-161.8	19.7	153.9	-106.8	-17.9	0	0	0	118.8	D137	D137-N139 PolarHBondContact O-N 2.88Å; D137-N139 VanDerWaalsContact O-N 3.14Å
140	T	31.9	Very low	29.3	Very low	131 Å²	131	154 Å²	154	80%	0.804	79%	0.793	S	S	*	*	S	Bend	trans	-126.8	13.2	178.9	-30.1	0	0	0	0	115
141	L	26.5	Very low	31.4	Very low	169 Å²	169	151.1 Å²	151.1	89%	0.885	79%	0.785	S	S	*	*			trans	-105.7	11.4	-177.2	-102.8	142.2	0	0	0	115.4
142	A	26.6	Very low	33.6	Very low	101 Å²	101	147.3 Å²	147.3	84%	0.835	77%	0.768	S	S	*	*	S	Bend	trans	-89.6	4.1	175.6	0	0	0	0	0	115
143	I	26.6	Very low	35.9	Very low	153 Å²	153	144.2 Å²	144.2	79%	0.785	75%	0.746	S	S	*	*	S	Bend	trans	-103.6	-4.5	-176.8	-62.1	-178.9	0	0	0	113.7
144	M	24.3	Very low	38.6	Very low	182 Å²	182	136.5 Å²	136.5	90%	0.897	73%	0.728	S	S	*	*			trans	-130.7	67.6	179.8	-67.7	-167.1	159.7	0	0	113
145	A	26.6	Very low	41.3	Very low	90 Å²	90	128.9 Å²	128.9	74%	0.744	70%	0.701	S	S	*	*			trans	-140.1	96	160.6	0	0	0	0	0	109.4
146	R	29.2	Very low	44	Very low	255 Å²	255	123.4 Å²	123.4	96%	0.962	67%	0.671	S	S	*	*			trans	-126.3	101.9	162.4	-103.6	-171.8	178	-171.3	-0	109.6
147	P	30.9	Very low	46.8	Very low	111 Å²	111	118 Å²	118	72%	0.721	65%	0.653	S	S	*	*			trans	-89.3	149.4	141	29.8	-17.8	0	0	0	109
148	P	35.2	Very low	49.6	Very low	96 Å²	96	116.2 Å²	116.2	62%	0.623	64%	0.64	S	S	*	*				-148	123.2	66.4	35.3	-13.9	0	0	0	115.7
149	Q	41.5	Very low	52.1	Low	113 Å²	113	109.2 Å²	109.2	53%	0.528	60%	0.604	S	S	.	*			trans	-109	-10.1	166.3	-82.1	-178.6	-22.2	0	0	113.3
150	S	56.6	Low	54.7	Low	101 Å²	101	105.6 Å²	105.6	71%	0.706	58%	0.58	S	S	*	*	H	α-helix	trans	-77	-23.1	-172.4	59.6	0	0	0	0	115.1
151	S	69.8	Low	57.4	Low	72 Å²	72	105 Å²	105	50%	0.503	57%	0.567	S	S	.	*	H	α-helix	trans	-75.7	-38.8	-176.7	50.7	0	0	0	0	112.8	S154 A155	S151-S154 PolarHBondContact O-N 2.87Å; S151-A155 PolarHBondContact O-N 3.21Å; S151-A155 VanDerWaalsContact O-N 3.12Å
152	E	71.2	Confident	60.3	Low	97 Å²	97	102.8 Å²	102.8	45%	0.453	55%	0.55	S	S	.	.	H	α-helix	trans	-70.8	-42.4	-175.4	-71	175.6	167.1	0	0	112.2	S154 A155 I156 L246	E152-S154 VanDerWaalsContact C-N 3.31Å; E152-S154 PolarHBondContact O-N 2.99Å; E152-A155 WeakPolarHBondContact O-CB 3.4Å; E152-A155 PolarHBondContact O-N 2.96Å; E152-A155 VanDerWaalsContact O-N 3.1Å; E152-I156 PolarHBondContact O-N 3.27Å; E152-I156 VanDerWaalsContact O-N 3.1Å; E152-L246 HydrophobicContact CB-CD1 3.85Å; E152-L246 HydrophobicContact CB-CG 4.39Å
153	Y	75	Confident	63.2	Low	132 Å²	132	98.5 Å²	98.5	52%	0.518	51%	0.513	S	S	.	.	H	α-helix	trans	-59.6	-41	173.2	-85.1	-83.1	0	0	0	112.4	A155 I156 E157 L246 E250	Y153-A155 VanDerWaalsContact C-N 3.27Å; Y153-A155 PolarHBondContact O-N 2.87Å; Y153-I156 PolarHBondContact O-N 2.65Å; Y153-E157 PolarHBondContact O-N 3.44Å; Y153-L246 HydrophobicContact CD2-CD1 4.31Å; Y153-L246 HydrophobicContact CD2-CD2 4.26Å; Y153-L246 HydrophobicContact CE2-CD1 4.37Å; Y153-L246 HydrophobicContact CE2-CD2 3.58Å; Y153-L246 HydrophobicContact CG-CD1 4.45Å; Y153-E250 PolarHBondContact OH-OE1 2.97Å; Y153-E250 VanDerWaalsContact OH-OE1 3.11Å
154	S	78.3	Confident	66	Low	77 Å²	77	95 Å²	95	54%	0.538	50%	0.496	S	S	.	.	H	α-helix	trans	-62.6	-36.5	175.4	-174.5	0	0	0	0	111.9	S151 E152 E157 E158	S151-S154 PolarHBondContact O-N 2.87Å; E152-S154 VanDerWaalsContact C-N 3.31Å; E152-S154 PolarHBondContact O-N 2.99Å; S154-E157 PolarHBondContact O-N 3.39Å; S154-E158 PolarHBondContact O-N 3.43Å; S154-E158 VanDerWaalsContact O-N 3.08Å
155	A	80.4	Confident	69.1	Low	27 Å²	27	93.6 Å²	93.6	22%	0.223	49%	0.485	C	S	.	.	H	α-helix	trans	-70.5	-36.4	-179.3	0	0	0	0	0	112.5	S151 E152 Y153 E158 A159	S151-A155 PolarHBondContact O-N 3.21Å; S151-A155 VanDerWaalsContact O-N 3.12Å; E152-A155 WeakPolarHBondContact O-CB 3.4Å; E152-A155 PolarHBondContact O-N 2.96Å; E152-A155 VanDerWaalsContact O-N 3.1Å; Y153-A155 VanDerWaalsContact C-N 3.27Å; Y153-A155 PolarHBondContact O-N 2.87Å; A155-E158 PolarHBondContact O-N 3.38Å; A155-A159 PolarHBondContact O-N 3.28Å
156	I	81.4	Confident	72	Confident	22 Å²	22	91.1 Å²	91.1	11%	0.113	46%	0.459	C	S	.	.	H	α-helix	trans	-65	-44.2	173.5	-67.7	-178.8	0	0	0	111.3	E152 Y153 E158 A159 K160 Y239 R242 Q243 L246	E152-I156 PolarHBondContact O-N 3.27Å; E152-I156 VanDerWaalsContact O-N 3.1Å; Y153-I156 PolarHBondContact O-N 2.65Å; I156-E158 VanDerWaalsContact C-N 3.27Å; I156-E158 PolarHBondContact O-N 2.96Å; I156-A159 PolarHBondContact O-N 3.3Å; I156-K160 PolarHBondContact O-N 2.96Å; I156-Y239 HydrophobicContact CG2-CD2 4.1Å; I156-Y239 HydrophobicContact CG2-CE2 3.67Å; I156-R242 HydrophobicContact CD1-CB 4.25Å; I156-R242 HydrophobicContact CG1-CB 3.75Å; I156-Q243 HydrophobicContact CD1-CG 4.2Å; I156-Q243 HydrophobicContact CG2-CG 4.48Å; I156-L246 HydrophobicContact CD1-CB 4.35Å; I156-L246 HydrophobicContact CD1-CD1 3.31Å; I156-L246 HydrophobicContact CD1-CG 4.45Å; I156-L246 HydrophobicContact CG1-CD1 4.28Å
157	E	81.9	Confident	74.6	Confident	91 Å²	91	81.2 Å²	81.2	43%	0.425	42%	0.424	S	S	.	.	H	α-helix	trans	-64.6	-34.2	178.5	-177.4	61.7	-163	0	0	111.7	Y153 S154 K161	Y153-E157 PolarHBondContact O-N 3.44Å; S154-E157 PolarHBondContact O-N 3.39Å; E157-K161 WeakPolarHBondContact O-CG 3.37Å; E157-K161 PolarHBondContact O-N 3.27Å; E157-K161 VanDerWaalsContact O-N 3.11Å; E157-K161 WeakPolarHBondContact OE1-CE 3.46Å
158	E	85.9	Confident	77.3	Confident	103 Å²	103	81.3 Å²	81.3	48%	0.481	42%	0.419	S	S	.	.	H	α-helix	trans	-67.8	-44.7	173.4	-165.3	-174.1	150.7	0	0	112.2	S154 A155 I156 K160 K161 K162	S154-E158 PolarHBondContact O-N 3.43Å; S154-E158 VanDerWaalsContact O-N 3.08Å; A155-E158 PolarHBondContact O-N 3.38Å; I156-E158 VanDerWaalsContact C-N 3.27Å; I156-E158 PolarHBondContact O-N 2.96Å; E158-K160 VanDerWaalsContact C-N 3.33Å; E158-K160 PolarHBondContact O-N 3.24Å; E158-K161 PolarHBondContact O-N 3.41Å; E158-K162 PolarHBondContact O-N 3.11Å; E158-K162 VanDerWaalsContact OE1-CE 3.25Å; E158-K162 WeakPolarHBondContact OE1-CE 3.49Å; E158-K162 IonicContact OE1-NZ 3.49Å; E158-K162 PolarHBondContact OE1-NZ 3.13Å
159	A	83.4	Confident	79.8	Confident	9 Å²	9	82.7 Å²	82.7	7%	0.074	41%	0.412	C	S	.	.	H	α-helix	trans	-58.5	-45.2	175.8	0	0	0	0	0	111.3	A155 I156 K161 K162 L163 Y239	A155-A159 PolarHBondContact O-N 3.28Å; I156-A159 PolarHBondContact O-N 3.3Å; A159-K161 PolarHBondContact O-N 3.46Å; A159-K162 PolarHBondContact O-N 3.48Å; A159-L163 PolarHBondContact O-N 3.01Å; A159-Y239 HydrophobicContact CB-CD2 4.49Å
160	K	86.5	Confident	82	Confident	85 Å²	85	80.2 Å²	80.2	37%	0.37	40%	0.397	S	S	.	.	H	α-helix	trans	-59.8	-45.1	176.1	-171	-179.9	176.3	-175.8	0	112.8	I156 E158 K162 L163 D164 Y239	I156-K160 PolarHBondContact O-N 2.96Å; E158-K160 VanDerWaalsContact C-N 3.33Å; E158-K160 PolarHBondContact O-N 3.24Å; K160-K162 VanDerWaalsContact C-N 3.31Å; K160-K162 PolarHBondContact O-N 3.45Å; K160-L163 WeakPolarHBondContact O-CB 3.34Å; K160-L163 PolarHBondContact O-N 3.38Å; K160-D164 PolarHBondContact O-N 3.37Å; K160-Y239 HydrophobicContact CB-CD2 4.13Å; K160-Y239 HydrophobicContact CB-CE2 3.82Å; K160-Y239 HydrophobicContact CD-CE2 4.37Å; K160-Y239 HydrophobicContact CG-CE2 4.23Å
161	K	87	Confident	83.1	Confident	120 Å²	120	78.6 Å²	78.6	52%	0.522	38%	0.381	S	S	.	.	H	α-helix	trans	-63.9	-34.2	177.5	-79	175.9	-177.3	168.5	0	113.2	E157 E158 A159 K165	E157-K161 WeakPolarHBondContact O-CG 3.37Å; E157-K161 PolarHBondContact O-N 3.27Å; E157-K161 VanDerWaalsContact O-N 3.11Å; E157-K161 WeakPolarHBondContact OE1-CE 3.46Å; E158-K161 PolarHBondContact O-N 3.41Å; A159-K161 PolarHBondContact O-N 3.46Å; K161-K165 WeakPolarHBondContact O-CG 3.41Å; K161-K165 PolarHBondContact O-N 3.31Å
162	K	87.9	Confident	84	Confident	121 Å²	121	79.6 Å²	79.6	53%	0.526	38%	0.378	S	S	.	.	H	α-helix	trans	-66.1	-46.9	173.5	-72.7	176	-174.7	166.2	0	110	E158 A159 K160 D164 K165 L166	E158-K162 PolarHBondContact O-N 3.11Å; E158-K162 VanDerWaalsContact OE1-CE 3.25Å; E158-K162 WeakPolarHBondContact OE1-CE 3.49Å; E158-K162 IonicContact OE1-NZ 3.49Å; E158-K162 PolarHBondContact OE1-NZ 3.13Å; A159-K162 PolarHBondContact O-N 3.48Å; K160-K162 VanDerWaalsContact C-N 3.31Å; K160-K162 PolarHBondContact O-N 3.45Å; K162-D164 PolarHBondContact O-N 2.87Å; K162-K165 PolarHBondContact O-N 3.22Å; K162-L166 WeakPolarHBondContact O-CG 3.46Å; K162-L166 PolarHBondContact O-N 2.83Å
163	L	88.6	Confident	84.8	Confident	12 Å²	12	75.3 Å²	75.3	6%	0.063	36%	0.358	C	S	.	.	H	α-helix	trans	-59.6	-46.5	178.5	-176.6	64.7	0	0	0	113	A159 K160 K165 L166 I167 I232 L236	A159-L163 PolarHBondContact O-N 3.01Å; K160-L163 WeakPolarHBondContact O-CB 3.34Å; K160-L163 PolarHBondContact O-N 3.38Å; L163-K165 VanDerWaalsContact C-N 3.27Å; L163-K165 PolarHBondContact O-N 3.28Å; L163-L166 PolarHBondContact O-N 3.32Å; L163-L166 VanDerWaalsContact O-N 3.15Å; L163-I167 HydrophobicContact CD1-CD1 4.35Å; L163-I167 HydrophobicContact CG-CD1 4.04Å; L163-I167 WeakPolarHBondContact O-CG1 3.35Å; L163-I167 PolarHBondContact O-N 3.47Å; L163-I232 HydrophobicContact CD1-CB 4.37Å; L163-I232 HydrophobicContact CD1-CG2 3.94Å; L163-I232 WeakPolarHBondContact CD1-O 3.41Å; L163-L236 HydrophobicContact CD1-CD2 4.49Å; L163-L236 HydrophobicContact CD1-CG 4.03Å; L163-L236 HydrophobicContact CD2-CD2 3.53Å; L163-L236 HydrophobicContact CD2-CG 3.95Å
164	D	84.7	Confident	85.2	Confident	78 Å²	78	71.4 Å²	71.4	42%	0.417	35%	0.345	S	S	.	.	H	α-helix	trans	-57.8	-40.1	178	-73.6	-21.2	0	0	0	111.6	K160 K162 I167 D168	K160-D164 PolarHBondContact O-N 3.37Å; K162-D164 PolarHBondContact O-N 2.87Å; D164-I167 PolarHBondContact O-N 2.89Å; D164-D168 PolarHBondContact O-N 2.87Å
165	K	88.9	Confident	85.5	Confident	153 Å²	153	72 Å²	72	67%	0.665	34%	0.342	S	S	*	.	H	α-helix	trans	-66.3	-38.5	177.1	-72.5	178.5	-179.1	-176.7	0	113.2	K161 K162 L163 R169	K161-K165 WeakPolarHBondContact O-CG 3.41Å; K161-K165 PolarHBondContact O-N 3.31Å; K162-K165 PolarHBondContact O-N 3.22Å; L163-K165 VanDerWaalsContact C-N 3.27Å; L163-K165 PolarHBondContact O-N 3.28Å; K165-R169 WeakPolarHBondContact O-CB 3.45Å; K165-R169 PolarHBondContact O-N 3.34Å
166	L	88.2	Confident	85.9	Confident	39 Å²	39	73.8 Å²	73.8	20%	0.204	35%	0.346	C	S	.	.	H	α-helix	trans	-66.3	-41.9	177.5	-65.3	173.8	0	0	0	110.5	K162 L163 R169 R170 L228 E231 I232	K162-L166 WeakPolarHBondContact O-CG 3.46Å; K162-L166 PolarHBondContact O-N 2.83Å; L163-L166 PolarHBondContact O-N 3.32Å; L163-L166 VanDerWaalsContact O-N 3.15Å; L166-R169 PolarHBondContact O-N 2.98Å; L166-R170 PolarHBondContact O-N 3.47Å; L166-L228 HydrophobicContact CB-CD1 4.36Å; L166-L228 HydrophobicContact CD2-CD1 3.69Å; L166-E231 HydrophobicContact CD1-CB 4.05Å; L166-E231 HydrophobicContact CD2-CB 4.45Å; L166-E231 VanDerWaalsContact CD2-OE2 3.24Å; L166-E231 WeakPolarHBondContact CD2-OE2 3.42Å; L166-I232 HydrophobicContact CB-CD1 4.36Å; L166-I232 HydrophobicContact CB-CG1 3.61Å
167	I	84.3	Confident	86.2	Confident	46 Å²	46	74 Å²	74	24%	0.236	35%	0.347	C	S	.	.	H	α-helix	trans	-61.2	-47.7	175.4	-69.2	169.8	0	0	0	111.1	L163 D164 R169 R170 D171 I232	L163-I167 HydrophobicContact CD1-CD1 4.35Å; L163-I167 HydrophobicContact CG-CD1 4.04Å; L163-I167 WeakPolarHBondContact O-CG1 3.35Å; L163-I167 PolarHBondContact O-N 3.47Å; D164-I167 PolarHBondContact O-N 2.89Å; I167-R169 VanDerWaalsContact C-N 3.28Å; I167-R169 PolarHBondContact O-N 2.65Å; I167-R170 WeakPolarHBondContact O-CB 3.41Å; I167-R170 PolarHBondContact O-N 3.21Å; I167-D171 PolarHBondContact O-N 3.5Å; I167-I232 HydrophobicContact CG1-CD1 3.98Å; I167-I232 HydrophobicContact CG1-CG1 4.19Å; I167-I232 HydrophobicContact CG1-CG2 4.15Å
168	D	86.6	Confident	86.4	Confident	113 Å²	113	75.3 Å²	75.3	60%	0.604	35%	0.352	S	S	*	.	H	α-helix	trans	-57.9	-41.8	176.8	-76	-21.2	0	0	0	111.6	D164 D171 E172	D164-D168 PolarHBondContact O-N 2.87Å; D168-D171 PolarHBondContact O-N 3.45Å; D168-E172 PolarHBondContact O-N 3.24Å; D168-E172 VanDerWaalsContact O-N 3.1Å
169	R	88.1	Confident	86.5	Confident	126 Å²	126	76.3 Å²	76.3	48%	0.475	36%	0.357	S	S	.	.	H	α-helix	trans	-68.3	-36.2	178.5	-177.6	60.4	173.6	-177.9	-0.9	112.4	K165 L166 I167 D171 E172 I173 L228	K165-R169 WeakPolarHBondContact O-CB 3.45Å; K165-R169 PolarHBondContact O-N 3.34Å; L166-R169 PolarHBondContact O-N 2.98Å; I167-R169 VanDerWaalsContact C-N 3.28Å; I167-R169 PolarHBondContact O-N 2.65Å; R169-D171 VanDerWaalsContact C-N 3.35Å; R169-E172 IonicContact CZ-OE2 3.68Å; R169-E172 IonicContact NH1-OE2 3.87Å; R169-E172 PolarHBondContact NH1-OE2 3.08Å; R169-E172 WeakPolarHBondContact O-CB 3.32Å; R169-E172 PolarHBondContact O-N 3.38Å; R169-I173 HydrophobicContact CG-CD1 4.28Å; R169-I173 WeakPolarHBondContact O-CG1 3.44Å; R169-I173 PolarHBondContact O-N 3.11Å; R169-L228 VanDerWaalsContact C-CD2 3.49Å; R169-L228 HydrophobicContact CB-CD2 3.77Å; R169-L228 HydrophobicContact CG-CD2 3.63Å
170	R	86.8	Confident	86.7	Confident	60 Å²	60	77.1 Å²	77.1	23%	0.226	36%	0.359	C	S	.	.	H	α-helix	trans	-63.8	-45	175.7	-179.1	-156	62.3	-155.3	-4.7	110.2	L166 I167 E172 I173 L174 L228 E229 I232	L166-R170 PolarHBondContact O-N 3.47Å; I167-R170 WeakPolarHBondContact O-CB 3.41Å; I167-R170 PolarHBondContact O-N 3.21Å; R170-E172 VanDerWaalsContact C-N 3.27Å; R170-E172 PolarHBondContact O-N 2.95Å; R170-I173 PolarHBondContact O-N 3.03Å; R170-L174 HydrophobicContact CG-CD1 4.01Å; R170-L174 HydrophobicContact CG-CG 4.33Å; R170-L174 WeakPolarHBondContact O-CB 3.33Å; R170-L174 VanDerWaalsContact O-CG 3.29Å; R170-L174 WeakPolarHBondContact O-CG 3.44Å; R170-L174 PolarHBondContact O-N 2.99Å; R170-L228 HydrophobicContact CB-CD2 3.66Å; R170-L228 HydrophobicContact CB-CG 4.2Å; R170-E229 HydrophobicContact CG-CG 4.45Å; R170-I232 HydrophobicContact CB-CD1 3.85Å; R170-I232 HydrophobicContact CG-CD1 4.29Å
171	D	80.9	Confident	86.7	Confident	67 Å²	67	75 Å²	75	36%	0.358	36%	0.355	S	S	.	.	H	α-helix	trans	-65.4	-33.5	179.7	-66.6	-3.7	0	0	0	111.3	I167 D168 R169 N175	I167-D171 PolarHBondContact O-N 3.5Å; D168-D171 PolarHBondContact O-N 3.45Å; R169-D171 VanDerWaalsContact C-N 3.35Å; D171-N175 VanDerWaalsContact O-CG 3.25Å; D171-N175 PolarHBondContact O-N 3.21Å; D171-N175 VanDerWaalsContact O-N 3.12Å; D171-N175 PolarHBondContact O-ND2 3.42Å
172	E	88.6	Confident	86.8	Confident	93 Å²	93	72.8 Å²	72.8	44%	0.435	35%	0.349	S	S	.	.	H	α-helix	trans	-64	-47.8	171	-173.8	173.4	-142.1	0	0	112.5	D168 R169 R170 N175 Q176	D168-E172 PolarHBondContact O-N 3.24Å; D168-E172 VanDerWaalsContact O-N 3.1Å; R169-E172 IonicContact CZ-OE2 3.68Å; R169-E172 IonicContact NH1-OE2 3.87Å; R169-E172 PolarHBondContact NH1-OE2 3.08Å; R169-E172 WeakPolarHBondContact O-CB 3.32Å; R169-E172 PolarHBondContact O-N 3.38Å; R170-E172 VanDerWaalsContact C-N 3.27Å; R170-E172 PolarHBondContact O-N 2.95Å; E172-N175 WeakPolarHBondContact O-CB 3.31Å; E172-N175 PolarHBondContact O-N 2.83Å; E172-Q176 WeakPolarHBondContact O-CG 3.49Å; E172-Q176 PolarHBondContact O-N 2.84Å
173	I	87.1	Confident	86.8	Confident	8 Å²	8	69.3 Å²	69.3	4%	0.041	34%	0.338	C	S	.	.	H	α-helix	trans	-63.4	-44.7	178.5	-67.3	167	0	0	0	110.9	R169 R170 N175 Q176 I177 L221 D224 A225 L228	R169-I173 HydrophobicContact CG-CD1 4.28Å; R169-I173 WeakPolarHBondContact O-CG1 3.44Å; R169-I173 PolarHBondContact O-N 3.11Å; R170-I173 PolarHBondContact O-N 3.03Å; I173-N175 PolarHBondContact O-N 3.12Å; I173-Q176 PolarHBondContact O-N 3.1Å; I173-I177 HydrophobicContact CG2-CD1 4.19Å; I173-I177 HydrophobicContact CG2-CG1 4.47Å; I173-I177 WeakPolarHBondContact O-CG1 3.44Å; I173-I177 PolarHBondContact O-N 2.9Å; I173-L221 HydrophobicContact CG2-CB 4.08Å; I173-L221 HydrophobicContact CG2-CD2 4.12Å; I173-L221 VanDerWaalsContact CG2-O 3.25Å; I173-L221 WeakPolarHBondContact CG2-O 3.29Å; I173-D224 HydrophobicContact CD1-CB 3.95Å; I173-D224 HydrophobicContact CG2-CB 4.19Å; I173-A225 HydrophobicContact CG2-CB 3.84Å; I173-L228 HydrophobicContact CD1-CD2 3.85Å
174	L	84	Confident	86.8	Confident	49 Å²	49	69.1 Å²	69.1	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-60.5	-35.2	177.5	-70.6	175.4	0	0	0	112	R170 I177 K178 A225	R170-L174 HydrophobicContact CG-CD1 4.01Å; R170-L174 HydrophobicContact CG-CG 4.33Å; R170-L174 WeakPolarHBondContact O-CB 3.33Å; R170-L174 VanDerWaalsContact O-CG 3.29Å; R170-L174 WeakPolarHBondContact O-CG 3.44Å; R170-L174 PolarHBondContact O-N 2.99Å; L174-I177 HydrophobicContact CD2-CD1 4.29Å; L174-K178 WeakPolarHBondContact O-CB 3.45Å; L174-K178 PolarHBondContact O-N 2.68Å; L174-A225 HydrophobicContact CD2-CB 4.22Å
175	N	84.6	Confident	86.8	Confident	89 Å²	89	70.2 Å²	70.2	48%	0.476	35%	0.347	S	S	.	.	H	α-helix	trans	-67.1	-41.2	172.8	-74.2	-36.8	0	0	0	112	D171 E172 I173 K178 E179	D171-N175 VanDerWaalsContact O-CG 3.25Å; D171-N175 PolarHBondContact O-N 3.21Å; D171-N175 VanDerWaalsContact O-N 3.12Å; D171-N175 PolarHBondContact O-ND2 3.42Å; E172-N175 WeakPolarHBondContact O-CB 3.31Å; E172-N175 PolarHBondContact O-N 2.83Å; I173-N175 PolarHBondContact O-N 3.12Å; N175-K178 WeakPolarHBondContact O-CB 3.41Å; N175-K178 PolarHBondContact O-N 2.8Å; N175-E179 WeakPolarHBondContact O-CG 3.28Å; N175-E179 PolarHBondContact O-N 3.35Å
176	Q	88.5	Confident	86.6	Confident	65 Å²	65	70.8 Å²	70.8	30%	0.304	35%	0.352	S	S	.	.	H	α-helix	trans	-65.6	-37.6	175.7	-66.4	178.5	19.5	0	0	112.4	E172 I173 K178 E179 N180 L221	E172-Q176 WeakPolarHBondContact O-CG 3.49Å; E172-Q176 PolarHBondContact O-N 2.84Å; I173-Q176 PolarHBondContact O-N 3.1Å; Q176-K178 VanDerWaalsContact C-N 3.31Å; Q176-K178 PolarHBondContact O-N 3.34Å; Q176-E179 PolarHBondContact O-N 3.19Å; Q176-N180 PolarHBondContact O-N 2.69Å; Q176-N180 PolarHBondContact O-ND2 3.47Å; Q176-L221 HydrophobicContact CB-CD1 3.56Å; Q176-L221 HydrophobicContact CB-CD2 4.3Å; Q176-L221 VanDerWaalsContact OE1-CD2 3.28Å
177	I	88.3	Confident	86.5	Confident	26 Å²	26	71.7 Å²	71.7	13%	0.133	36%	0.356	C	S	.	.	H	α-helix	trans	-59.6	-46.7	172	-67.4	170.1	0	0	0	109.6	I173 L174 E179 N180 S181 L221 A225	I173-I177 HydrophobicContact CG2-CD1 4.19Å; I173-I177 HydrophobicContact CG2-CG1 4.47Å; I173-I177 WeakPolarHBondContact O-CG1 3.44Å; I173-I177 PolarHBondContact O-N 2.9Å; L174-I177 HydrophobicContact CD2-CD1 4.29Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 3.31Å; I177-N180 PolarHBondContact O-N 3.24Å; I177-S181 WeakPolarHBondContact O-CB 3.35Å; I177-S181 PolarHBondContact O-N 2.83Å; I177-S181 PolarHBondContact O-OG 2.86Å; I177-S181 VanDerWaalsContact O-OG 3.06Å; I177-L221 HydrophobicContact CD1-CB 4.14Å; I177-L221 HydrophobicContact CG1-CB 3.46Å; I177-L221 VanDerWaalsContact CG1-CB 3.46Å; I177-L221 HydrophobicContact CG1-CD1 4.39Å; I177-A225 HydrophobicContact CD1-CB 4.04Å
178	K	85.1	Confident	86.5	Confident	119 Å²	119	76.4 Å²	76.4	52%	0.517	38%	0.381	S	S	.	.	H	α-helix	trans	-60.7	-42.9	179.2	-173.9	-176	178	-172.9	0	112	L174 N175 Q176 S181 N182	L174-K178 WeakPolarHBondContact O-CB 3.45Å; L174-K178 PolarHBondContact O-N 2.68Å; N175-K178 WeakPolarHBondContact O-CB 3.41Å; N175-K178 PolarHBondContact O-N 2.8Å; Q176-K178 VanDerWaalsContact C-N 3.31Å; Q176-K178 PolarHBondContact O-N 3.34Å; K178-S181 PolarHBondContact O-N 3.35Å; K178-N182 PolarHBondContact O-N 3.13Å; K178-N182 PolarHBondContact O-OD1 2.78Å
179	E	88.2	Confident	86.4	Confident	125 Å²	125	71.4 Å²	71.4	58%	0.584	36%	0.355	S	S	*	.	H	α-helix	trans	-61.3	-49	176.2	-73.9	172.5	-173.7	0	0	111.8	N175 Q176 I177 S181 N182 V183	N175-E179 WeakPolarHBondContact O-CG 3.28Å; N175-E179 PolarHBondContact O-N 3.35Å; Q176-E179 PolarHBondContact O-N 3.19Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 3.31Å; E179-S181 PolarHBondContact O-N 3.2Å; E179-N182 WeakPolarHBondContact O-CB 3.47Å; E179-N182 PolarHBondContact O-N 3.03Å; E179-V183 PolarHBondContact O-N 3.09Å
180	N	87.9	Confident	86.1	Confident	25 Å²	25	71.4 Å²	71.4	13%	0.134	36%	0.36	C	S	.	.	H	α-helix	trans	-67.7	-36	179.2	-72.3	-85.7	0	0	0	112.4	Q176 I177 N182 V183 L184 A214 N217 V218	Q176-N180 PolarHBondContact O-N 2.69Å; Q176-N180 PolarHBondContact O-ND2 3.47Å; I177-N180 PolarHBondContact O-N 3.24Å; N180-N182 VanDerWaalsContact C-N 3.32Å; N180-N182 PolarHBondContact O-N 2.97Å; N180-V183 WeakPolarHBondContact O-CB 3.49Å; N180-V183 PolarHBondContact O-N 3.01Å; N180-L184 PolarHBondContact O-N 3.38Å; N180-A214 HydrophobicContact CB-CB 4.35Å; N180-N217 HydrophobicContact CB-CB 4.32Å; N180-N217 VanDerWaalsContact OD1-CB 3.28Å; N180-N217 WeakPolarHBondContact OD1-CB 3.4Å; N180-N217 PolarHBondContact OD1-ND2 3.34Å; N180-V218 HydrophobicContact CB-CG2 3.51Å
181	S	87.5	Confident	86	Confident	41 Å²	41	72.6 Å²	72.6	29%	0.287	37%	0.369	S	S	.	.	H	α-helix	trans	-65	-34.4	173.8	-68.3	0	0	0	0	112.5	I177 K178 E179 L184 T185	I177-S181 WeakPolarHBondContact O-CB 3.35Å; I177-S181 PolarHBondContact O-N 2.83Å; I177-S181 PolarHBondContact O-OG 2.86Å; I177-S181 VanDerWaalsContact O-OG 3.06Å; K178-S181 PolarHBondContact O-N 3.35Å; E179-S181 PolarHBondContact O-N 3.2Å; S181-L184 PolarHBondContact O-N 3.21Å; S181-T185 PolarHBondContact O-N 2.91Å; S181-T185 PolarHBondContact O-OG1 2.95Å
182	N	87.3	Confident	85.9	Confident	73 Å²	73	79.3 Å²	79.3	39%	0.39	39%	0.39	S	S	.	.	H	α-helix	trans	-64.8	-41.2	173.7	-72.4	-13.8	0	0	0	111.4	K178 E179 N180 L184 T185 E186	K178-N182 PolarHBondContact O-N 3.13Å; K178-N182 PolarHBondContact O-OD1 2.78Å; E179-N182 WeakPolarHBondContact O-CB 3.47Å; E179-N182 PolarHBondContact O-N 3.03Å; N180-N182 VanDerWaalsContact C-N 3.32Å; N180-N182 PolarHBondContact O-N 2.97Å; N182-L184 VanDerWaalsContact C-N 3.29Å; N182-L184 PolarHBondContact O-N 3.04Å; N182-T185 WeakPolarHBondContact O-CB 3.49Å; N182-T185 PolarHBondContact O-N 2.94Å; N182-T185 VanDerWaalsContact O-N 3.13Å; N182-E186 WeakPolarHBondContact O-CG 3.34Å; N182-E186 PolarHBondContact O-N 2.74Å
183	V	88.7	Confident	85.5	Confident	49 Å²	49	77.6 Å²	77.6	30%	0.297	38%	0.382	S	S	.	.	H	α-helix	trans	-57.4	-43.4	175.1	175.8	0	0	0	0	111.1	E179 N180 E186 M187 A214	E179-V183 PolarHBondContact O-N 3.09Å; N180-V183 WeakPolarHBondContact O-CB 3.49Å; N180-V183 PolarHBondContact O-N 3.01Å; V183-E186 PolarHBondContact O-N 2.85Å; V183-M187 HydrophobicContact CG1-CE 3.64Å; V183-M187 HydrophobicContact CG1-SD 4.13Å; V183-M187 WeakPolarHBondContact O-CG 3.47Å; V183-M187 PolarHBondContact O-N 2.86Å; V183-M187 VanDerWaalsContact O-N 3.11Å; V183-A214 HydrophobicContact CB-CB 4.22Å; V183-A214 HydrophobicContact CG1-CB 4.06Å
184	L	88.9	Confident	85.4	Confident	7 Å²	7	80.1 Å²	80.1	4%	0.037	40%	0.4	C	S	.	.	H	α-helix	trans	-65.3	-39.4	176.5	-64.5	174.9	0	0	0	112.5	N180 S181 N182 M187 N188 V189 M191 A211 A214 M215 V218	N180-L184 PolarHBondContact O-N 3.38Å; S181-L184 PolarHBondContact O-N 3.21Å; N182-L184 VanDerWaalsContact C-N 3.29Å; N182-L184 PolarHBondContact O-N 3.04Å; L184-M187 CarbonylContact O-C 3.44Å; L184-M187 PolarHBondContact O-N 2.71Å; L184-N188 PolarHBondContact O-N 2.88Å; L184-V189 PolarHBondContact O-N 2.92Å; L184-M191 HydrophobicContact CD1-CG 4.28Å; L184-M191 HydrophobicContact CD1-SD 3.67Å; L184-A211 HydrophobicContact CD2-CB 4.38Å; L184-A214 HydrophobicContact CD2-CB 3.79Å; L184-A214 HydrophobicContact CG-CB 3.91Å; L184-M215 HydrophobicContact CD1-CG 3.91Å; L184-M215 HydrophobicContact CD2-CG 3.65Å; L184-M215 HydrophobicContact CG-CG 4.45Å; L184-V218 HydrophobicContact CD1-CG2 4.29Å
185	T	84.6	Confident	85.5	Confident	101 Å²	101	78.6 Å²	78.6	62%	0.62	39%	0.392	S	S	*	.	H	α-helix	trans	-66.3	-41.1	177.8	-52.4	0	0	0	0	111.5	S181 N182 M187 N188	S181-T185 PolarHBondContact O-N 2.91Å; S181-T185 PolarHBondContact O-OG1 2.95Å; N182-T185 WeakPolarHBondContact O-CB 3.49Å; N182-T185 PolarHBondContact O-N 2.94Å; N182-T185 VanDerWaalsContact O-N 3.13Å; T185-M187 VanDerWaalsContact C-N 3.3Å; T185-M187 PolarHBondContact O-N 3.18Å; T185-N188 PolarHBondContact O-N 3.46Å; T185-N188 VanDerWaalsContact O-N 3.08Å
186	E	84	Confident	85.5	Confident	166 Å²	166	77 Å²	77	78%	0.776	39%	0.385	S	S	*	.	H	α-helix	trans	-63.6	-35.4	174.7	-75.4	178.7	-175.6	0	0	112.3	N182 V183 N188	N182-E186 WeakPolarHBondContact O-CG 3.34Å; N182-E186 PolarHBondContact O-N 2.74Å; V183-E186 PolarHBondContact O-N 2.85Å; E186-N188 PolarHBondContact O-N 2.79Å
187	M	85.7	Confident	85.3	Confident	57 Å²	57	76.6 Å²	76.6	28%	0.281	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-5.2	174.5	-66.8	175.6	-173	0	0	113.2	V183 L184 T185 V189 D207 A210 A211	V183-M187 HydrophobicContact CG1-CE 3.64Å; V183-M187 HydrophobicContact CG1-SD 4.13Å; V183-M187 WeakPolarHBondContact O-CG 3.47Å; V183-M187 PolarHBondContact O-N 2.86Å; V183-M187 VanDerWaalsContact O-N 3.11Å; L184-M187 CarbonylContact O-C 3.44Å; L184-M187 PolarHBondContact O-N 2.71Å; T185-M187 VanDerWaalsContact C-N 3.3Å; T185-M187 PolarHBondContact O-N 3.18Å; M187-V189 HydrophobicContact CB-CG2 4.04Å; M187-V189 PolarHBondContact O-N 2.89Å; M187-D207 HydrophobicContact CE-CB 4.33Å; M187-A210 HydrophobicContact CE-CB 3.5Å; M187-A210 HydrophobicContact SD-CB 4.24Å; M187-A211 HydrophobicContact SD-CB 4.02Å
188	N	84.4	Confident	85.1	Confident	145 Å²	145	85 Å²	85	78%	0.775	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	34.4	-176.7	-146.1	29.9	0	0	0	113.1	L184 T185 E186	L184-N188 PolarHBondContact O-N 2.88Å; T185-N188 PolarHBondContact O-N 3.46Å; T185-N188 VanDerWaalsContact O-N 3.08Å; E186-N188 PolarHBondContact O-N 2.79Å
189	V	85.5	Confident	84.9	Confident	9 Å²	9	86.5 Å²	86.5	6%	0.055	43%	0.433	C	S	.	.			trans	-110.3	132.7	-178.9	176.1	0	0	0	0	110	L184 M187 E193 M195 V206	L184-V189 PolarHBondContact O-N 2.92Å; M187-V189 HydrophobicContact CB-CG2 4.04Å; M187-V189 PolarHBondContact O-N 2.89Å; V189-E193 WeakPolarHBondContact CA-OE2 3.38Å; V189-E193 HydrophobicContact CG1-CB 4.27Å; V189-M195 HydrophobicContact CG1-CE 3.87Å; V189-V206 HydrophobicContact CG2-CB 4.34Å; V189-V206 HydrophobicContact CG2-CG1 3.57Å; V189-V206 HydrophobicContact CG2-CG2 3.73Å
190	Q	81.5	Confident	84.2	Confident	125 Å²	125	86.9 Å²	86.9	58%	0.584	44%	0.439	S	S	*	.			trans	-87.7	156.3	175.1	-64	-168.5	-28.1	0	0	112.8	R192 E193	Q190-R192 PolarHBondContact O-N 2.9Å; Q190-E193 HydrophobicContact CB-CB 4.28Å; Q190-E193 PolarHBondContact N-OE2 3.46Å; Q190-E193 WeakPolarHBondContact O-CB 3.44Å; Q190-E193 PolarHBondContact O-N 3.42Å; Q190-E193 VanDerWaalsContact O-N 3.11Å
191	M	84.9	Confident	83.6	Confident	85 Å²	85	91.8 Å²	91.8	42%	0.419	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	123.9	170.5	-79.5	-64	-71.5	0	0	110.3	L184 E193 M215 V218 A219	L184-M191 HydrophobicContact CD1-CG 4.28Å; L184-M191 HydrophobicContact CD1-SD 3.67Å; M191-E193 VanDerWaalsContact C-N 3.28Å; M191-E193 PolarHBondContact O-N 3.46Å; M191-M215 HydrophobicContact SD-CB 4Å; M191-M215 HydrophobicContact SD-CG 3.78Å; M191-V218 HydrophobicContact CE-CB 4.3Å; M191-V218 HydrophobicContact CE-CG1 4.02Å; M191-V218 HydrophobicContact SD-CB 4.17Å; M191-V218 HydrophobicContact SD-CG1 4.06Å; M191-A219 HydrophobicContact CE-CB 4.44Å
192	R	78.9	Confident	83.3	Confident	209 Å²	209	93.7 Å²	93.7	79%	0.789	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	13.3	-178.9	-49.5	180	-176	-174.5	3.7	115.1	Q190	Q190-R192 PolarHBondContact O-N 2.9Å
193	E	80.9	Confident	83.3	Confident	56 Å²	56	93.5 Å²	93.5	26%	0.262	46%	0.464	S	S	.	.			trans	-60.7	146.6	169.7	-168.6	173.7	174.5	0	0	111	V189 Q190 M191 M195 R203	V189-E193 WeakPolarHBondContact CA-OE2 3.38Å; V189-E193 HydrophobicContact CG1-CB 4.27Å; Q190-E193 HydrophobicContact CB-CB 4.28Å; Q190-E193 PolarHBondContact N-OE2 3.46Å; Q190-E193 WeakPolarHBondContact O-CB 3.44Å; Q190-E193 PolarHBondContact O-N 3.42Å; Q190-E193 VanDerWaalsContact O-N 3.11Å; M191-E193 VanDerWaalsContact C-N 3.28Å; M191-E193 PolarHBondContact O-N 3.46Å; E193-M195 PolarHBondContact O-N 3.31Å; E193-R203 IonicContact OE1-CZ 3.21Å; E193-R203 IonicContact OE1-NH1 3.4Å; E193-R203 PolarHBondContact OE1-NH1 3.48Å; E193-R203 IonicContact OE1-NH2 2.7Å; E193-R203 PolarHBondContact OE1-NH2 2.82Å
194	S	83.6	Confident	83.1	Confident	62 Å²	62	98 Å²	98	43%	0.434	49%	0.492	S	S	.	.			trans	-64	126.2	176.5	-175.6	0	0	0	0	110.5	V196	S194-V196 PolarHBondContact O-N 2.8Å; S194-V196 WeakPolarHBondContact OG-CG2 3.37Å; S194-V196 PolarHBondContact OG-N 3.25Å; S194-V196 PolarHBondContact OG-O 2.84Å
195	M	86.7	Confident	83	Confident	16 Å²	16	103.3 Å²	103.3	8%	0.079	52%	0.521	C	S	.	.	S	Bend	trans	-83.3	-0	173.3	-62.8	-68.5	170.7	0	0	112.5	V189 E193 R203 V206 I208 A211 R212 M215	V189-M195 HydrophobicContact CG1-CE 3.87Å; E193-M195 PolarHBondContact O-N 3.31Å; M195-R203 PolarHBondContact O-N 3.24Å; M195-V206 HydrophobicContact SD-CG1 4.48Å; M195-I208 HydrophobicContact CB-CG2 4.21Å; M195-I208 HydrophobicContact CG-CG2 4.37Å; M195-I208 HydrophobicContact SD-CG2 4.38Å; M195-A211 HydrophobicContact CE-CB 3.85Å; M195-A211 HydrophobicContact SD-CB 4.33Å; M195-R212 HydrophobicContact CE-CG 4.39Å; M195-R212 HydrophobicContact CG-CG 4.37Å; M195-M215 HydrophobicContact CE-CE 4.36Å; M195-M215 HydrophobicContact CE-SD 3.16Å; M195-M215 WeakPolarHBondContact CE-SD 3.1Å
196	V	84.1	Confident	83.1	Confident	55 Å²	55	99.2 Å²	99.2	33%	0.333	50%	0.496	S	S	.	.	B	Isolated β-bridge	trans	-113.3	142.9	175.5	-61.1	0	0	0	0	109.7	S194 F201	S194-V196 PolarHBondContact O-N 2.8Å; S194-V196 WeakPolarHBondContact OG-CG2 3.37Å; S194-V196 PolarHBondContact OG-N 3.25Å; S194-V196 PolarHBondContact OG-O 2.84Å; V196-F201 CarbonylContact C-O 3.53Å; V196-F201 WeakPolarHBondContact CA-O 3.5Å
197	D	85	Confident	83.3	Confident	57 Å²	57	95.8 Å²	95.8	31%	0.305	48%	0.483	S	S	.	.			trans	-76.4	-174.5	174.7	62.6	26.3	0	0	0	111.9	E199 D200 F201 R203	D197-E199 PolarHBondContact O-N 2.68Å; D197-E199 WeakPolarHBondContact OD1-CA 3.37Å; D197-E199 PolarHBondContact OD1-N 3.11Å; D197-D200 PolarHBondContact O-N 3.45Å; D197-D200 VanDerWaalsContact O-N 3.16Å; D197-D200 PolarHBondContact OD1-N 2.91Å; D197-F201 VanDerWaalsContact CG-O 3.32Å; D197-F201 PolarHBondContact N-O 3.26Å; D197-F201 PolarHBondContact OD1-N 2.59Å; D197-R203 HydrophobicContact CB-CG 4.27Å
198	E	83	Confident	83.3	Confident	203 Å²	203	95 Å²	95	95%	0.949	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-16	-178.9	-61.7	179.8	-179.4	0	0	113.7
199	E	80.9	Confident	83.3	Confident	150 Å²	150	93.3 Å²	93.3	70%	0.701	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	10.5	177.3	-63.9	-175.2	176.6	0	0	112	D197 F201	D197-E199 PolarHBondContact O-N 2.68Å; D197-E199 WeakPolarHBondContact OD1-CA 3.37Å; D197-E199 PolarHBondContact OD1-N 3.11Å; E199-F201 HydrophobicContact CB-CD2 3.72Å; E199-F201 HydrophobicContact CB-CE2 4.19Å; E199-F201 VanDerWaalsContact O-CD2 3.25Å; E199-F201 WeakPolarHBondContact O-CD2 3.37Å; E199-F201 WeakPolarHBondContact O-CE2 3.4Å; E199-F201 PolarHBondContact O-N 3.36Å
200	D	74.1	Confident	83.5	Confident	134 Å²	134	94.2 Å²	94.2	72%	0.717	48%	0.482	S	S	*	.	S	Bend	trans	63.2	19.4	-175.4	-73	-41.5	0	0	0	114.5	D197	D197-D200 PolarHBondContact O-N 3.45Å; D197-D200 VanDerWaalsContact O-N 3.16Å; D197-D200 PolarHBondContact OD1-N 2.91Å
201	F	76.3	Confident	83.8	Confident	128 Å²	128	88.2 Å²	88.2	56%	0.561	45%	0.454	S	S	*	.	S	Bend	trans	-92.4	150.1	174.2	-70.9	-82	0	0	0	111.8	V196 D197 E199 R203	V196-F201 CarbonylContact C-O 3.53Å; V196-F201 WeakPolarHBondContact CA-O 3.5Å; D197-F201 VanDerWaalsContact CG-O 3.32Å; D197-F201 PolarHBondContact N-O 3.26Å; D197-F201 PolarHBondContact OD1-N 2.59Å; E199-F201 HydrophobicContact CB-CD2 3.72Å; E199-F201 HydrophobicContact CB-CE2 4.19Å; E199-F201 VanDerWaalsContact O-CD2 3.25Å; E199-F201 WeakPolarHBondContact O-CD2 3.37Å; E199-F201 WeakPolarHBondContact O-CE2 3.4Å; E199-F201 PolarHBondContact O-N 3.36Å; F201-R203 PolarHBondContact O-N 3.19Å
202	P	81.1	Confident	84	Confident	80 Å²	80	92 Å²	92	52%	0.519	46%	0.463	S	S	.	.	B	Isolated β-bridge	trans	-58.4	123.6	175.7	-19.7	30.7	0	0	0	110.7	T204 I208	P202-T204 PolarHBondContact O-N 3.03Å; P202-I208 HydrophobicContact CB-CD1 3.33Å
203	R	85.9	Confident	84.6	Confident	69 Å²	69	85.5 Å²	85.5	26%	0.26	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-51.1	121.3	178.9	-85.7	-172.5	167.3	-170	4.2	111.9	E193 M195 D197 F201 D205	E193-R203 IonicContact OE1-CZ 3.21Å; E193-R203 IonicContact OE1-NH1 3.4Å; E193-R203 PolarHBondContact OE1-NH1 3.48Å; E193-R203 IonicContact OE1-NH2 2.7Å; E193-R203 PolarHBondContact OE1-NH2 2.82Å; M195-R203 PolarHBondContact O-N 3.24Å; D197-R203 HydrophobicContact CB-CG 4.27Å; F201-R203 PolarHBondContact O-N 3.19Å; R203-D205 VanDerWaalsContact C-N 3.34Å; R203-D205 WeakPolarHBondContact CB-OD1 3.39Å
204	T	85	Confident	85.1	Confident	143 Å²	143	83 Å²	83	88%	0.877	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-15.9	-176.9	55.5	0	0	0	0	114	P202	P202-T204 PolarHBondContact O-N 3.03Å
205	D	87.2	Confident	85.4	Confident	120 Å²	120	81.5 Å²	81.5	64%	0.642	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-11.5	-178.7	59.1	-51.6	0	0	0	113.5	R203	R203-D205 VanDerWaalsContact C-N 3.34Å; R203-D205 WeakPolarHBondContact CB-OD1 3.39Å
206	V	86.6	Confident	85.6	Confident	15 Å²	15	86.3 Å²	86.3	9%	0.091	45%	0.445	C	S	.	.	S	Bend	trans	-118.3	136.6	-175.7	178.4	0	0	0	0	110.3	V189 M195 I208 A211	V189-V206 HydrophobicContact CG2-CB 4.34Å; V189-V206 HydrophobicContact CG2-CG1 3.57Å; V189-V206 HydrophobicContact CG2-CG2 3.73Å; M195-V206 HydrophobicContact SD-CG1 4.48Å; V206-I208 VanDerWaalsContact C-N 3.28Å; V206-I208 PolarHBondContact O-N 2.65Å; V206-A211 HydrophobicContact CG1-CB 3.85Å
207	D	87.7	Confident	86	Confident	94 Å²	94	86.3 Å²	86.3	50%	0.503	44%	0.443	S	S	.	.			trans	-71.4	88.9	162.7	-175.4	-19.3	0	0	0	108.9	M187 V209 A210 A211	M187-D207 HydrophobicContact CE-CB 4.33Å; D207-V209 PolarHBondContact O-N 3.35Å; D207-V209 PolarHBondContact OD1-N 3.44Å; D207-V209 VanDerWaalsContact OD1-N 3.16Å; D207-A210 HydrophobicContact CB-CB 4.04Å; D207-A210 VanDerWaalsContact CG-CB 3.47Å; D207-A210 PolarHBondContact O-N 3.37Å; D207-A210 PolarHBondContact OD1-N 3.49Å; D207-A211 VanDerWaalsContact O-CB 3.3Å; D207-A211 WeakPolarHBondContact O-CB 3.02Å; D207-A211 PolarHBondContact O-N 2.93Å
208	I	85.7	Confident	86.2	Confident	40 Å²	40	84.1 Å²	84.1	21%	0.205	43%	0.431	C	S	.	.	H	α-helix	trans	-58.2	-34.2	-174.7	-61.9	174.8	0	0	0	111.5	M195 P202 V206 R212	M195-I208 HydrophobicContact CB-CG2 4.21Å; M195-I208 HydrophobicContact CG-CG2 4.37Å; M195-I208 HydrophobicContact SD-CG2 4.38Å; P202-I208 HydrophobicContact CB-CD1 3.33Å; V206-I208 VanDerWaalsContact C-N 3.28Å; V206-I208 PolarHBondContact O-N 2.65Å; I208-R212 HydrophobicContact CG2-CG 4.38Å; I208-R212 VanDerWaalsContact O-CB 3.26Å; I208-R212 WeakPolarHBondContact O-CB 3.42Å; I208-R212 WeakPolarHBondContact O-CG 3.22Å; I208-R212 PolarHBondContact O-N 2.63Å
209	V	85.6	Confident	86.3	Confident	109 Å²	109	76.4 Å²	76.4	66%	0.661	40%	0.403	S	S	*	.	H	α-helix	trans	-71	-48.6	-178.4	179.4	0	0	0	0	109.8	D207 T213	D207-V209 PolarHBondContact O-N 3.35Å; D207-V209 PolarHBondContact OD1-N 3.44Å; D207-V209 VanDerWaalsContact OD1-N 3.16Å; V209-T213 WeakPolarHBondContact O-CB 3.46Å; V209-T213 PolarHBondContact O-N 3.49Å; V209-T213 PolarHBondContact O-OG1 3.3Å
210	A	88.3	Confident	86.8	Confident	28 Å²	28	71.6 Å²	71.6	23%	0.231	39%	0.385	C	S	.	.	H	α-helix	trans	-66.4	-42.7	178.3	0	0	0	0	0	111.9	M187 D207 T213 A214	M187-A210 HydrophobicContact CE-CB 3.5Å; M187-A210 HydrophobicContact SD-CB 4.24Å; D207-A210 HydrophobicContact CB-CB 4.04Å; D207-A210 VanDerWaalsContact CG-CB 3.47Å; D207-A210 PolarHBondContact O-N 3.37Å; D207-A210 PolarHBondContact OD1-N 3.49Å; A210-T213 PolarHBondContact O-N 2.86Å; A210-A214 WeakPolarHBondContact O-CB 3.47Å; A210-A214 PolarHBondContact O-N 3.05Å
211	A	88.7	Confident	87.5	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62	-47.6	176.5	0	0	0	0	0	111.6	L184 M187 M195 V206 D207 T213 A214 M215	L184-A211 HydrophobicContact CD2-CB 4.38Å; M187-A211 HydrophobicContact SD-CB 4.02Å; M195-A211 HydrophobicContact CE-CB 3.85Å; M195-A211 HydrophobicContact SD-CB 4.33Å; V206-A211 HydrophobicContact CG1-CB 3.85Å; D207-A211 VanDerWaalsContact O-CB 3.3Å; D207-A211 WeakPolarHBondContact O-CB 3.02Å; D207-A211 PolarHBondContact O-N 2.93Å; A211-T213 VanDerWaalsContact C-N 3.33Å; A211-T213 PolarHBondContact O-N 3.02Å; A211-A214 PolarHBondContact O-N 2.49Å; A211-M215 WeakPolarHBondContact O-CB 3.39Å; A211-M215 VanDerWaalsContact O-CG 3.24Å; A211-M215 WeakPolarHBondContact O-CG 3.24Å; A211-M215 PolarHBondContact O-N 2.57Å
212	R	88.8	Confident	88	Confident	163 Å²	163	62 Å²	62	62%	0.615	34%	0.341	S	S	*	.	H	α-helix	trans	-62.9	-38.8	175.6	-80.9	-153.8	-179.1	-165.8	3.3	112.8	M195 I208 M215 H216	M195-R212 HydrophobicContact CE-CG 4.39Å; M195-R212 HydrophobicContact CG-CG 4.37Å; I208-R212 HydrophobicContact CG2-CG 4.38Å; I208-R212 VanDerWaalsContact O-CB 3.26Å; I208-R212 WeakPolarHBondContact O-CB 3.42Å; I208-R212 WeakPolarHBondContact O-CG 3.22Å; I208-R212 PolarHBondContact O-N 2.63Å; R212-M215 PolarHBondContact O-N 3.29Å; R212-H216 VanDerWaalsContact O-CB 3.25Å; R212-H216 WeakPolarHBondContact O-CB 3.5Å; R212-H216 PolarHBondContact O-N 2.97Å
213	T	90.9	Very high	88.1	Confident	73 Å²	73	62.3 Å²	62.3	45%	0.448	34%	0.338	S	S	.	.	H	α-helix	trans	-63	-47.9	177	-56.8	0	0	0	0	110.4	V209 A210 A211 H216 N217	V209-T213 WeakPolarHBondContact O-CB 3.46Å; V209-T213 PolarHBondContact O-N 3.49Å; V209-T213 PolarHBondContact O-OG1 3.3Å; A210-T213 PolarHBondContact O-N 2.86Å; A211-T213 VanDerWaalsContact C-N 3.33Å; A211-T213 PolarHBondContact O-N 3.02Å; T213-H216 PolarHBondContact O-N 3.45Å; T213-N217 WeakPolarHBondContact O-CB 3.42Å; T213-N217 PolarHBondContact O-N 3.45Å; T213-N217 PolarHBondContact O-ND2 3.49Å; T213-N217 PolarHBondContact O-OD1 3.41Å
214	A	91.1	Very high	88.1	Confident	3 Å²	3	60.9 Å²	60.9	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-43.4	177.1	0	0	0	0	0	112	N180 V183 L184 A210 A211 H216 N217 V218	N180-A214 HydrophobicContact CB-CB 4.35Å; V183-A214 HydrophobicContact CB-CB 4.22Å; V183-A214 HydrophobicContact CG1-CB 4.06Å; L184-A214 HydrophobicContact CD2-CB 3.79Å; L184-A214 HydrophobicContact CG-CB 3.91Å; A210-A214 WeakPolarHBondContact O-CB 3.47Å; A210-A214 PolarHBondContact O-N 3.05Å; A211-A214 PolarHBondContact O-N 2.49Å; A214-H216 PolarHBondContact O-N 2.96Å; A214-N217 PolarHBondContact O-N 3.44Å; A214-V218 WeakPolarHBondContact O-CG2 3.42Å; A214-V218 PolarHBondContact O-N 3.2Å
215	M	91.2	Very high	88	Confident	31 Å²	31	54.4 Å²	54.4	15%	0.153	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-43.3	175.3	-73	175.3	59.4	0	0	112.6	L184 M191 M195 A211 R212 A219	L184-M215 HydrophobicContact CD1-CG 3.91Å; L184-M215 HydrophobicContact CD2-CG 3.65Å; L184-M215 HydrophobicContact CG-CG 4.45Å; M191-M215 HydrophobicContact SD-CB 4Å; M191-M215 HydrophobicContact SD-CG 3.78Å; M195-M215 HydrophobicContact CE-CE 4.36Å; M195-M215 HydrophobicContact CE-SD 3.16Å; M195-M215 WeakPolarHBondContact CE-SD 3.1Å; A211-M215 WeakPolarHBondContact O-CB 3.39Å; A211-M215 VanDerWaalsContact O-CG 3.24Å; A211-M215 WeakPolarHBondContact O-CG 3.24Å; A211-M215 PolarHBondContact O-N 2.57Å; R212-M215 PolarHBondContact O-N 3.29Å; M215-A219 WeakPolarHBondContact O-CB 3.49Å; M215-A219 PolarHBondContact O-N 2.96Å
216	H	90.2	Very high	87.6	Confident	118 Å²	118	51.8 Å²	51.8	55%	0.546	28%	0.279	S	S	.	.	H	α-helix	trans	-62.4	-47.9	176.3	178.1	73.4	0	0	0	110.7	R212 T213 A214 V218 A219 C220	R212-H216 VanDerWaalsContact O-CB 3.25Å; R212-H216 WeakPolarHBondContact O-CB 3.5Å; R212-H216 PolarHBondContact O-N 2.97Å; T213-H216 PolarHBondContact O-N 3.45Å; A214-H216 PolarHBondContact O-N 2.96Å; H216-V218 PolarHBondContact O-N 3.21Å; H216-A219 PolarHBondContact O-N 2.89Å; H216-C220 VanDerWaalsContact CE1-SG 3.51Å; H216-C220 WeakPolarHBondContact O-CB 3.46Å; H216-C220 PolarHBondContact O-N 3.49Å; H216-C220 PolarHBondContact O-SG 3.28Å
217	N	92.3	Very high	87.5	Confident	54 Å²	54	51.3 Å²	51.3	29%	0.289	28%	0.277	S	S	.	.	H	α-helix	trans	-60.4	-47.1	177.2	-68.8	-14	0	0	0	111.7	N180 T213 A214 A219 C220 L221	N180-N217 HydrophobicContact CB-CB 4.32Å; N180-N217 VanDerWaalsContact OD1-CB 3.28Å; N180-N217 WeakPolarHBondContact OD1-CB 3.4Å; N180-N217 PolarHBondContact OD1-ND2 3.34Å; T213-N217 WeakPolarHBondContact O-CB 3.42Å; T213-N217 PolarHBondContact O-N 3.45Å; T213-N217 PolarHBondContact O-ND2 3.49Å; T213-N217 PolarHBondContact O-OD1 3.41Å; A214-N217 PolarHBondContact O-N 3.44Å; N217-A219 VanDerWaalsContact C-N 3.3Å; N217-A219 PolarHBondContact O-N 3.48Å; N217-C220 PolarHBondContact O-N 3.47Å; N217-L221 HydrophobicContact CB-CD1 4.32Å; N217-L221 WeakPolarHBondContact O-CB 3.26Å; N217-L221 WeakPolarHBondContact O-CD1 3.38Å; N217-L221 WeakPolarHBondContact O-CG 3.21Å; N217-L221 PolarHBondContact O-N 2.86Å
218	V	89.3	Confident	87.3	Confident	11 Å²	11	47.4 Å²	47.4	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-57.7	-45.2	176	169.9	0	0	0	0	110.3	N180 L184 M191 A214 H216 T222	N180-V218 HydrophobicContact CB-CG2 3.51Å; L184-V218 HydrophobicContact CD1-CG2 4.29Å; M191-V218 HydrophobicContact CE-CB 4.3Å; M191-V218 HydrophobicContact CE-CG1 4.02Å; M191-V218 HydrophobicContact SD-CB 4.17Å; M191-V218 HydrophobicContact SD-CG1 4.06Å; A214-V218 WeakPolarHBondContact O-CG2 3.42Å; A214-V218 PolarHBondContact O-N 3.2Å; H216-V218 PolarHBondContact O-N 3.21Å; V218-T222 WeakPolarHBondContact O-CB 3.35Å; V218-T222 PolarHBondContact O-N 2.98Å; V218-T222 PolarHBondContact O-OG1 2.82Å
219	A	86.2	Confident	87	Confident	42 Å²	42	48.2 Å²	48.2	35%	0.347	26%	0.259	S	S	.	.	H	α-helix	trans	-63.8	-48.4	179.6	0	0	0	0	0	112.2	M191 M215 H216 N217 N223	M191-A219 HydrophobicContact CE-CB 4.44Å; M215-A219 WeakPolarHBondContact O-CB 3.49Å; M215-A219 PolarHBondContact O-N 2.96Å; H216-A219 PolarHBondContact O-N 2.89Å; N217-A219 VanDerWaalsContact C-N 3.3Å; N217-A219 PolarHBondContact O-N 3.48Å; A219-N223 PolarHBondContact O-N 3.06Å; A219-N223 VanDerWaalsContact O-N 3.16Å; A219-N223 PolarHBondContact O-ND2 2.86Å
220	C	90	Very high	86.7	Confident	48 Å²	48	45.5 Å²	45.5	32%	0.324	24%	0.239	S	C	.	.	H	α-helix	trans	-62.5	-52	177.8	-72.4	0	0	0	0	111.5	H216 N217 T222 N223 D224	H216-C220 VanDerWaalsContact CE1-SG 3.51Å; H216-C220 WeakPolarHBondContact O-CB 3.46Å; H216-C220 PolarHBondContact O-N 3.49Å; H216-C220 PolarHBondContact O-SG 3.28Å; N217-C220 PolarHBondContact O-N 3.47Å; C220-T222 VanDerWaalsContact C-N 3.31Å; C220-T222 PolarHBondContact O-N 3.39Å; C220-N223 CarbonylContact O-C 3.44Å; C220-N223 WeakPolarHBondContact O-CA 3.31Å; C220-N223 WeakPolarHBondContact O-CB 3.14Å; C220-N223 PolarHBondContact O-N 2.62Å; C220-N223 VanDerWaalsContact O-N 3.08Å; C220-D224 VanDerWaalsContact O-CG 3.27Å; C220-D224 PolarHBondContact O-N 2.87Å
221	L	90.4	Very high	86.5	Confident	17 Å²	17	47.4 Å²	47.4	9%	0.089	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-33	-179	-67.7	167.2	0	0	0	112.4	I173 Q176 I177 N217 N223 D224 A225	I173-L221 HydrophobicContact CG2-CB 4.08Å; I173-L221 HydrophobicContact CG2-CD2 4.12Å; I173-L221 VanDerWaalsContact CG2-O 3.25Å; I173-L221 WeakPolarHBondContact CG2-O 3.29Å; Q176-L221 HydrophobicContact CB-CD1 3.56Å; Q176-L221 HydrophobicContact CB-CD2 4.3Å; Q176-L221 VanDerWaalsContact OE1-CD2 3.28Å; I177-L221 HydrophobicContact CD1-CB 4.14Å; I177-L221 HydrophobicContact CG1-CB 3.46Å; I177-L221 VanDerWaalsContact CG1-CB 3.46Å; I177-L221 HydrophobicContact CG1-CD1 4.39Å; N217-L221 HydrophobicContact CB-CD1 4.32Å; N217-L221 WeakPolarHBondContact O-CB 3.26Å; N217-L221 WeakPolarHBondContact O-CD1 3.38Å; N217-L221 WeakPolarHBondContact O-CG 3.21Å; N217-L221 PolarHBondContact O-N 2.86Å; L221-N223 VanDerWaalsContact C-N 3.32Å; L221-D224 CarbonylContact O-C 3.46Å; L221-D224 WeakPolarHBondContact O-CB 3.35Å; L221-D224 PolarHBondContact O-N 3.08Å; L221-A225 WeakPolarHBondContact O-CB 3.2Å; L221-A225 PolarHBondContact O-N 2.81Å
222	T	85.6	Confident	86.4	Confident	43 Å²	43	47.9 Å²	47.9	26%	0.264	25%	0.246	S	C	.	.	H	α-helix	trans	-65.1	-39.8	173.5	-61.6	0	0	0	0	110.8	V218 C220 K226	V218-T222 WeakPolarHBondContact O-CB 3.35Å; V218-T222 PolarHBondContact O-N 2.98Å; V218-T222 PolarHBondContact O-OG1 2.82Å; C220-T222 VanDerWaalsContact C-N 3.31Å; C220-T222 PolarHBondContact O-N 3.39Å; T222-K226 VanDerWaalsContact O-CG 3.3Å; T222-K226 WeakPolarHBondContact O-CG 3.5Å; T222-K226 PolarHBondContact O-N 2.8Å
223	N	83.6	Confident	86.1	Confident	87 Å²	87	43.7 Å²	43.7	47%	0.465	23%	0.232	S	C	.	.	H	α-helix	trans	-68.3	-36.6	172.8	-66.9	-22.4	0	0	0	111.4	A219 C220 L221 K226 A227	A219-N223 PolarHBondContact O-N 3.06Å; A219-N223 VanDerWaalsContact O-N 3.16Å; A219-N223 PolarHBondContact O-ND2 2.86Å; C220-N223 CarbonylContact O-C 3.44Å; C220-N223 WeakPolarHBondContact O-CA 3.31Å; C220-N223 WeakPolarHBondContact O-CB 3.14Å; C220-N223 PolarHBondContact O-N 2.62Å; C220-N223 VanDerWaalsContact O-N 3.08Å; L221-N223 VanDerWaalsContact C-N 3.32Å; N223-K226 PolarHBondContact O-N 3.36Å; N223-A227 WeakPolarHBondContact O-CB 3.4Å; N223-A227 PolarHBondContact O-N 2.83Å
224	D	87	Confident	85.6	Confident	40 Å²	40	42 Å²	42	21%	0.214	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-45.7	172.4	-60.1	-17.4	0	0	0	112.6	I173 C220 L221 K226 A227 L228 R387	I173-D224 HydrophobicContact CD1-CB 3.95Å; I173-D224 HydrophobicContact CG2-CB 4.19Å; C220-D224 VanDerWaalsContact O-CG 3.27Å; C220-D224 PolarHBondContact O-N 2.87Å; L221-D224 CarbonylContact O-C 3.46Å; L221-D224 WeakPolarHBondContact O-CB 3.35Å; L221-D224 PolarHBondContact O-N 3.08Å; D224-K226 VanDerWaalsContact C-N 3.34Å; D224-K226 PolarHBondContact O-N 3.36Å; D224-A227 CarbonylContact O-C 3.57Å; D224-A227 VanDerWaalsContact O-C 3.29Å; D224-A227 WeakPolarHBondContact O-CA 3.27Å; D224-A227 WeakPolarHBondContact O-CB 3.25Å; D224-A227 PolarHBondContact O-N 3.16Å; D224-L228 WeakPolarHBondContact O-CB 3.39Å; D224-L228 PolarHBondContact O-N 3.37Å; D224-R387 VanDerWaalsContact CA-NH2 3.27Å; D224-R387 IonicContact OD1-CZ 3.74Å; D224-R387 IonicContact OD1-NH1 2.71Å; D224-R387 PolarHBondContact OD1-NH1 3Å; D224-R387 IonicContact OD1-NH2 2.76Å; D224-R387 PolarHBondContact OD1-NH2 2.95Å
225	A	82.2	Confident	85.2	Confident	6 Å²	6	42.8 Å²	42.8	5%	0.05	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-44.4	178	0	0	0	0	0	110.6	I173 L174 I177 L221 A227 L228 E229	I173-A225 HydrophobicContact CG2-CB 3.84Å; L174-A225 HydrophobicContact CD2-CB 4.22Å; I177-A225 HydrophobicContact CD1-CB 4.04Å; L221-A225 WeakPolarHBondContact O-CB 3.2Å; L221-A225 PolarHBondContact O-N 2.81Å; A225-A227 VanDerWaalsContact C-N 3.31Å; A225-A227 PolarHBondContact O-N 3Å; A225-L228 PolarHBondContact O-N 2.6Å; A225-E229 WeakPolarHBondContact O-CG 3.38Å; A225-E229 PolarHBondContact O-N 3.28Å
226	K	79.5	Confident	84.8	Confident	65 Å²	65	44.4 Å²	44.4	28%	0.283	24%	0.237	S	C	.	.	H	α-helix	trans	-58.8	-44.7	173.1	-73.5	176.2	-174.9	-173.1	0	111.4	T222 N223 D224 L228 E229 T369 S676	T222-K226 VanDerWaalsContact O-CG 3.3Å; T222-K226 WeakPolarHBondContact O-CG 3.5Å; T222-K226 PolarHBondContact O-N 2.8Å; N223-K226 PolarHBondContact O-N 3.36Å; D224-K226 VanDerWaalsContact C-N 3.34Å; D224-K226 PolarHBondContact O-N 3.36Å; K226-L228 PolarHBondContact O-N 2.96Å; K226-E229 PolarHBondContact O-N 3.49Å; K226-T369 VanDerWaalsContact O-CB 3.31Å; K226-T369 WeakPolarHBondContact O-CB 3.1Å; K226-T369 WeakPolarHBondContact O-CG2 3.02Å; K226-T369 PolarHBondContact O-OG1 2.61Å; K226-S676 WeakPolarHBondContact CE-OG 3.44Å
227	A	82.5	Confident	84.3	Confident	5 Å²	5	42 Å²	42	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-67.4	-0.2	173.6	0	0	0	0	0	114.6	N223 D224 A225 T369	N223-A227 WeakPolarHBondContact O-CB 3.4Å; N223-A227 PolarHBondContact O-N 2.83Å; D224-A227 CarbonylContact O-C 3.57Å; D224-A227 VanDerWaalsContact O-C 3.29Å; D224-A227 WeakPolarHBondContact O-CA 3.27Å; D224-A227 WeakPolarHBondContact O-CB 3.25Å; D224-A227 PolarHBondContact O-N 3.16Å; A225-A227 VanDerWaalsContact C-N 3.31Å; A225-A227 PolarHBondContact O-N 3Å; A227-T369 WeakPolarHBondContact CA-OG1 3.46Å; A227-T369 PolarHBondContact N-OG1 3.24Å; A227-T369 WeakPolarHBondContact O-CG2 3.38Å
228	L	84	Confident	83.9	Confident	12 Å²	12	42.4 Å²	42.4	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-117.4	-28.2	173.3	-165.1	63.7	0	0	0	111.8	L166 R169 R170 I173 D224 A225 K226 E231 I232	L166-L228 HydrophobicContact CB-CD1 4.36Å; L166-L228 HydrophobicContact CD2-CD1 3.69Å; R169-L228 VanDerWaalsContact C-CD2 3.49Å; R169-L228 HydrophobicContact CB-CD2 3.77Å; R169-L228 HydrophobicContact CG-CD2 3.63Å; R170-L228 HydrophobicContact CB-CD2 3.66Å; R170-L228 HydrophobicContact CB-CG 4.2Å; I173-L228 HydrophobicContact CD1-CD2 3.85Å; D224-L228 WeakPolarHBondContact O-CB 3.39Å; D224-L228 PolarHBondContact O-N 3.37Å; A225-L228 PolarHBondContact O-N 2.6Å; K226-L228 PolarHBondContact O-N 2.96Å; L228-E231 PolarHBondContact O-N 2.88Å; L228-I232 HydrophobicContact CG-CD1 4.48Å; L228-I232 VanDerWaalsContact O-CG1 3.31Å; L228-I232 WeakPolarHBondContact O-CG1 3.26Å; L228-I232 PolarHBondContact O-N 3.12Å
229	E	80.7	Confident	83.7	Confident	57 Å²	57	43.8 Å²	43.8	27%	0.266	23%	0.233	S	C	.	.	H	α-helix	trans	-61.3	-42.2	177.3	-80.6	-176	167	0	0	113.2	R170 A225 K226 I232 K233 C677	R170-E229 HydrophobicContact CG-CG 4.45Å; A225-E229 WeakPolarHBondContact O-CG 3.38Å; A225-E229 PolarHBondContact O-N 3.28Å; K226-E229 PolarHBondContact O-N 3.49Å; E229-I232 WeakPolarHBondContact O-CB 3.39Å; E229-I232 PolarHBondContact O-N 3.27Å; E229-K233 PolarHBondContact O-N 3.49Å; E229-C677 PolarHBondContact OE2-SG 3.18Å; E229-C677 VanDerWaalsContact OE2-SG 3.35Å
230	E	79.5	Confident	83.5	Confident	53 Å²	53	46.9 Å²	46.9	25%	0.248	24%	0.238	C	C	.	.	H	α-helix	trans	-78.2	-21.5	173.5	-34.7	-92	157.3	0	0	114.5	I232 K233 L234 T369 P370	E230-I232 VanDerWaalsContact C-N 3.25Å; E230-I232 PolarHBondContact O-N 3.39Å; E230-K233 HydrophobicContact CB-CB 4.44Å; E230-K233 WeakPolarHBondContact O-CB 3.45Å; E230-K233 PolarHBondContact O-N 2.86Å; E230-K233 VanDerWaalsContact O-N 3.16Å; E230-K233 WeakPolarHBondContact OE2-CD 3.5Å; E230-K233 IonicContact OE2-NZ 2.68Å; E230-K233 PolarHBondContact OE2-NZ 3.37Å; E230-L234 PolarHBondContact O-N 3.18Å; E230-T369 VanDerWaalsContact CA-CG2 3.4Å; E230-T369 HydrophobicContact CB-CG2 3.34Å; E230-T369 HydrophobicContact CG-CG2 3.75Å; E230-P370 WeakPolarHBondContact CB-O 3.45Å; E230-P370 WeakPolarHBondContact CG-O 3.37Å; E230-P370 VanDerWaalsContact OE2-O 3.11Å
231	E	84.1	Confident	83.1	Confident	68 Å²	68	48.3 Å²	48.3	32%	0.318	25%	0.246	S	C	.	.	H	α-helix	trans	-65.6	-39.3	171.2	-72.9	-173	-157.2	0	0	108.8	L166 L228 K233 G235 T369	L166-E231 HydrophobicContact CD1-CB 4.05Å; L166-E231 HydrophobicContact CD2-CB 4.45Å; L166-E231 VanDerWaalsContact CD2-OE2 3.24Å; L166-E231 WeakPolarHBondContact CD2-OE2 3.42Å; L228-E231 PolarHBondContact O-N 2.88Å; E231-K233 VanDerWaalsContact C-N 3.34Å; E231-G235 PolarHBondContact O-N 3.47Å; E231-T369 HydrophobicContact CG-CG2 4.2Å; E231-T369 VanDerWaalsContact N-CG2 3.29Å
232	I	85.1	Confident	82.9	Confident	10 Å²	10	52.1 Å²	52.1	5%	0.051	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-40.8	171.5	-68.7	167	0	0	0	110.7	L163 L166 I167 R170 L228 E229 E230 G235 L236	L163-I232 HydrophobicContact CD1-CB 4.37Å; L163-I232 HydrophobicContact CD1-CG2 3.94Å; L163-I232 WeakPolarHBondContact CD1-O 3.41Å; L166-I232 HydrophobicContact CB-CD1 4.36Å; L166-I232 HydrophobicContact CB-CG1 3.61Å; I167-I232 HydrophobicContact CG1-CD1 3.98Å; I167-I232 HydrophobicContact CG1-CG1 4.19Å; I167-I232 HydrophobicContact CG1-CG2 4.15Å; R170-I232 HydrophobicContact CB-CD1 3.85Å; R170-I232 HydrophobicContact CG-CD1 4.29Å; L228-I232 HydrophobicContact CG-CD1 4.48Å; L228-I232 VanDerWaalsContact O-CG1 3.31Å; L228-I232 WeakPolarHBondContact O-CG1 3.26Å; L228-I232 PolarHBondContact O-N 3.12Å; E229-I232 WeakPolarHBondContact O-CB 3.39Å; E229-I232 PolarHBondContact O-N 3.27Å; E230-I232 VanDerWaalsContact C-N 3.25Å; E230-I232 PolarHBondContact O-N 3.39Å; I232-G235 PolarHBondContact O-N 2.91Å; I232-L236 HydrophobicContact CG2-CD1 4.01Å; I232-L236 WeakPolarHBondContact O-CB 3.44Å; I232-L236 VanDerWaalsContact O-CG 3.29Å; I232-L236 WeakPolarHBondContact O-CG 3.44Å; I232-L236 PolarHBondContact O-N 2.67Å
233	K	83.5	Confident	82.6	Confident	74 Å²	74	52.3 Å²	52.3	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-52.6	176.7	180	-171.8	162.8	-170.5	0	111.9	E229 E230 E231 G235 L236 E237 R371	E229-K233 PolarHBondContact O-N 3.49Å; E230-K233 HydrophobicContact CB-CB 4.44Å; E230-K233 WeakPolarHBondContact O-CB 3.45Å; E230-K233 PolarHBondContact O-N 2.86Å; E230-K233 VanDerWaalsContact O-N 3.16Å; E230-K233 WeakPolarHBondContact OE2-CD 3.5Å; E230-K233 IonicContact OE2-NZ 2.68Å; E230-K233 PolarHBondContact OE2-NZ 3.37Å; E231-K233 VanDerWaalsContact C-N 3.34Å; K233-G235 VanDerWaalsContact C-N 3.29Å; K233-G235 PolarHBondContact O-N 2.8Å; K233-L236 WeakPolarHBondContact O-CB 3.49Å; K233-L236 PolarHBondContact O-N 2.96Å; K233-L236 VanDerWaalsContact O-N 3.13Å; K233-E237 PolarHBondContact O-N 2.76Å; K233-R371 PolarHBondContact NZ-O 3.4Å
234	L	80.8	Confident	82.3	Confident	39 Å²	39	50.1 Å²	50.1	20%	0.204	25%	0.251	C	S	.	.	H	α-helix	trans	-60	-40.9	175.5	-73.4	-157.8	0	0	0	112	E230 L236 E237 D238 P370 E372	E230-L234 PolarHBondContact O-N 3.18Å; L234-L236 VanDerWaalsContact C-N 3.29Å; L234-L236 PolarHBondContact O-N 2.83Å; L234-E237 WeakPolarHBondContact CD2-OE2 3.43Å; L234-E237 PolarHBondContact O-N 3.1Å; L234-D238 PolarHBondContact O-N 3.26Å; L234-P370 HydrophobicContact CD1-CB 3.57Å; L234-P370 HydrophobicContact CD1-CG 3.28Å; L234-P370 HydrophobicContact CD2-CB 4.33Å; L234-P370 HydrophobicContact CG-CB 3.87Å; L234-P370 HydrophobicContact CG-CG 3.84Å; L234-E372 WeakPolarHBondContact CD2-O 3.22Å
235	G	81.9	Confident	81.9	Confident	18 Å²	18	52.6 Å²	52.6	19%	0.186	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-35.6	176.4	0	0	0	0	0	113.1	E231 I232 K233 Y239	E231-G235 PolarHBondContact O-N 3.47Å; I232-G235 PolarHBondContact O-N 2.91Å; K233-G235 VanDerWaalsContact C-N 3.29Å; K233-G235 PolarHBondContact O-N 2.8Å; G235-Y239 VanDerWaalsContact O-CB 3.26Å; G235-Y239 WeakPolarHBondContact O-CB 3.24Å; G235-Y239 PolarHBondContact O-N 2.85Å; G235-Y239 VanDerWaalsContact O-N 3.08Å
236	L	82	Confident	81.8	Confident	66 Å²	66	53.2 Å²	53.2	35%	0.346	27%	0.266	S	S	.	.	H	α-helix	trans	-67.8	-44.7	173.4	-77.5	163.2	0	0	0	111.3	L163 I232 K233 L234 Y239 F240	L163-L236 HydrophobicContact CD1-CD2 4.49Å; L163-L236 HydrophobicContact CD1-CG 4.03Å; L163-L236 HydrophobicContact CD2-CD2 3.53Å; L163-L236 HydrophobicContact CD2-CG 3.95Å; I232-L236 HydrophobicContact CG2-CD1 4.01Å; I232-L236 WeakPolarHBondContact O-CB 3.44Å; I232-L236 VanDerWaalsContact O-CG 3.29Å; I232-L236 WeakPolarHBondContact O-CG 3.44Å; I232-L236 PolarHBondContact O-N 2.67Å; K233-L236 WeakPolarHBondContact O-CB 3.49Å; K233-L236 PolarHBondContact O-N 2.96Å; K233-L236 VanDerWaalsContact O-N 3.13Å; L234-L236 VanDerWaalsContact C-N 3.29Å; L234-L236 PolarHBondContact O-N 2.83Å; L236-Y239 PolarHBondContact O-N 2.93Å; L236-F240 HydrophobicContact CB-CD2 4.47Å; L236-F240 HydrophobicContact CB-CE2 4.46Å; L236-F240 HydrophobicContact CD2-CE2 3.95Å; L236-F240 WeakPolarHBondContact O-CD2 3.16Å; L236-F240 PolarHBondContact O-N 2.88Å
237	E	80.4	Confident	81.5	Confident	66 Å²	66	57.1 Å²	57.1	31%	0.308	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-46.3	178.3	-72.6	169.3	166.9	0	0	111.8	K233 L234 Y239 F240 T241 N373	K233-E237 PolarHBondContact O-N 2.76Å; L234-E237 WeakPolarHBondContact CD2-OE2 3.43Å; L234-E237 PolarHBondContact O-N 3.1Å; E237-Y239 PolarHBondContact O-N 3.29Å; E237-F240 PolarHBondContact O-N 3.25Å; E237-T241 VanDerWaalsContact O-CB 3.26Å; E237-T241 WeakPolarHBondContact O-CB 3.47Å; E237-T241 PolarHBondContact O-N 2.8Å; E237-T241 PolarHBondContact O-OG1 2.93Å; E237-N373 PolarHBondContact OE2-OD1 3.47Å
238	D	83.3	Confident	80.9	Confident	63 Å²	63	62.5 Å²	62.5	34%	0.337	30%	0.304	S	S	.	.	H	α-helix	trans	-59.9	-45.3	174	176.5	65.3	0	0	0	111.3	L234 F240 T241 R242	L234-D238 PolarHBondContact O-N 3.26Å; D238-F240 PolarHBondContact O-N 3.05Å; D238-T241 PolarHBondContact O-N 2.8Å; D238-R242 WeakPolarHBondContact O-CB 3.17Å; D238-R242 VanDerWaalsContact O-CG 3.25Å; D238-R242 WeakPolarHBondContact O-CG 3.09Å; D238-R242 PolarHBondContact O-N 3.11Å; D238-R242 IonicContact OD1-CZ 3.94Å; D238-R242 VanDerWaalsContact OD1-CZ 3.31Å; D238-R242 IonicContact OD1-NE 3.15Å; D238-R242 PolarHBondContact OD1-NE 3.43Å; D238-R242 IonicContact OD1-NH2 3.67Å; D238-R242 PolarHBondContact OD1-NH2 2.96Å; D238-R242 IonicContact OD2-CZ 3.42Å; D238-R242 IonicContact OD2-NE 3.85Å; D238-R242 PolarHBondContact OD2-NE 3.38Å; D238-R242 IonicContact OD2-NH2 3.26Å; D238-R242 PolarHBondContact OD2-NH2 2.95Å
239	Y	85.1	Confident	80.2	Confident	41 Å²	41	64 Å²	64	16%	0.161	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-45.9	178.3	174.2	-101.7	0	0	0	112.5	I156 A159 K160 G235 L236 E237 Q243	I156-Y239 HydrophobicContact CG2-CD2 4.1Å; I156-Y239 HydrophobicContact CG2-CE2 3.67Å; A159-Y239 HydrophobicContact CB-CD2 4.49Å; K160-Y239 HydrophobicContact CB-CD2 4.13Å; K160-Y239 HydrophobicContact CB-CE2 3.82Å; K160-Y239 HydrophobicContact CD-CE2 4.37Å; K160-Y239 HydrophobicContact CG-CE2 4.23Å; G235-Y239 VanDerWaalsContact O-CB 3.26Å; G235-Y239 WeakPolarHBondContact O-CB 3.24Å; G235-Y239 PolarHBondContact O-N 2.85Å; G235-Y239 VanDerWaalsContact O-N 3.08Å; L236-Y239 PolarHBondContact O-N 2.93Å; E237-Y239 PolarHBondContact O-N 3.29Å; Y239-Q243 PolarHBondContact O-N 3.29Å; Y239-Q243 VanDerWaalsContact O-N 3.16Å; Y239-Q243 PolarHBondContact OH-NE2 2.87Å
240	F	81.5	Confident	79.6	Confident	107 Å²	107	65.3 Å²	65.3	47%	0.469	32%	0.324	S	S	.	.	H	α-helix	trans	-73.8	-36.1	179.9	-74.1	-60.7	0	0	0	112.9	L236 E237 D238 R242 Q243 A244	L236-F240 HydrophobicContact CB-CD2 4.47Å; L236-F240 HydrophobicContact CB-CE2 4.46Å; L236-F240 HydrophobicContact CD2-CE2 3.95Å; L236-F240 WeakPolarHBondContact O-CD2 3.16Å; L236-F240 PolarHBondContact O-N 2.88Å; E237-F240 PolarHBondContact O-N 3.25Å; D238-F240 PolarHBondContact O-N 3.05Å; F240-R242 VanDerWaalsContact C-N 3.35Å; F240-R242 PolarHBondContact O-N 2.83Å; F240-Q243 WeakPolarHBondContact O-CB 3.16Å; F240-Q243 PolarHBondContact O-N 3.07Å; F240-A244 PolarHBondContact O-N 2.57Å
241	T	82.4	Confident	78.3	Confident	77 Å²	77	70 Å²	70	47%	0.472	34%	0.343	S	S	.	.	H	α-helix	trans	-60.8	-45.1	174.3	-59.6	0	0	0	0	110.7	E237 D238 Q243 A244 N245	E237-T241 VanDerWaalsContact O-CB 3.26Å; E237-T241 WeakPolarHBondContact O-CB 3.47Å; E237-T241 PolarHBondContact O-N 2.8Å; E237-T241 PolarHBondContact O-OG1 2.93Å; D238-T241 PolarHBondContact O-N 2.8Å; T241-Q243 VanDerWaalsContact C-N 3.33Å; T241-Q243 PolarHBondContact O-N 2.89Å; T241-A244 PolarHBondContact O-N 3.01Å; T241-N245 VanDerWaalsContact O-CG 3.29Å; T241-N245 PolarHBondContact O-N 2.99Å
242	R	85.9	Confident	76.4	Confident	98 Å²	98	70.5 Å²	70.5	37%	0.37	35%	0.354	S	S	.	.	H	α-helix	trans	-62.7	-38.9	175.2	-68.6	172.2	-168.6	-114.7	-4.4	112.4	I156 D238 F240 L246	I156-R242 HydrophobicContact CD1-CB 4.25Å; I156-R242 HydrophobicContact CG1-CB 3.75Å; D238-R242 WeakPolarHBondContact O-CB 3.17Å; D238-R242 VanDerWaalsContact O-CG 3.25Å; D238-R242 WeakPolarHBondContact O-CG 3.09Å; D238-R242 PolarHBondContact O-N 3.11Å; D238-R242 IonicContact OD1-CZ 3.94Å; D238-R242 VanDerWaalsContact OD1-CZ 3.31Å; D238-R242 IonicContact OD1-NE 3.15Å; D238-R242 PolarHBondContact OD1-NE 3.43Å; D238-R242 IonicContact OD1-NH2 3.67Å; D238-R242 PolarHBondContact OD1-NH2 2.96Å; D238-R242 IonicContact OD2-CZ 3.42Å; D238-R242 IonicContact OD2-NE 3.85Å; D238-R242 PolarHBondContact OD2-NE 3.38Å; D238-R242 IonicContact OD2-NH2 3.26Å; D238-R242 PolarHBondContact OD2-NH2 2.95Å; F240-R242 VanDerWaalsContact C-N 3.35Å; F240-R242 PolarHBondContact O-N 2.83Å; R242-L246 WeakPolarHBondContact O-CB 3.4Å; R242-L246 PolarHBondContact O-N 3.36Å; R242-L246 VanDerWaalsContact O-N 3.11Å
243	Q	80.6	Confident	74.2	Confident	47 Å²	47	76.8 Å²	76.8	22%	0.22	38%	0.383	C	S	.	.	H	α-helix	trans	-64.5	-40.6	174	-78.5	-162	0.3	0	0	112.8	I156 Y239 F240 T241 L246 R247	I156-Q243 HydrophobicContact CD1-CG 4.2Å; I156-Q243 HydrophobicContact CG2-CG 4.48Å; Y239-Q243 PolarHBondContact O-N 3.29Å; Y239-Q243 VanDerWaalsContact O-N 3.16Å; Y239-Q243 PolarHBondContact OH-NE2 2.87Å; F240-Q243 WeakPolarHBondContact O-CB 3.16Å; F240-Q243 PolarHBondContact O-N 3.07Å; T241-Q243 VanDerWaalsContact C-N 3.33Å; T241-Q243 PolarHBondContact O-N 2.89Å; Q243-L246 PolarHBondContact O-N 3.38Å; Q243-R247 VanDerWaalsContact O-CG 3.31Å; Q243-R247 WeakPolarHBondContact O-CG 3.24Å; Q243-R247 PolarHBondContact O-N 2.76Å; Q243-R247 VanDerWaalsContact O-N 3.12Å
244	A	76.7	Confident	71.9	Confident	41 Å²	41	81.4 Å²	81.4	34%	0.339	41%	0.406	S	S	.	.	H	α-helix	trans	-63.8	-48.1	178.1	0	0	0	0	0	111	F240 T241 L246 R247 E248	F240-A244 PolarHBondContact O-N 2.57Å; T241-A244 PolarHBondContact O-N 3.01Å; A244-L246 VanDerWaalsContact C-N 3.3Å; A244-L246 PolarHBondContact O-N 3.08Å; A244-R247 CarbonylContact O-C 3.47Å; A244-R247 WeakPolarHBondContact O-CB 3.11Å; A244-R247 PolarHBondContact O-N 3.06Å; A244-R247 VanDerWaalsContact O-N 3.08Å; A244-E248 PolarHBondContact O-N 2.94Å
245	N	79.1	Confident	69.3	Low	92 Å²	92	85.1 Å²	85.1	49%	0.492	43%	0.43	S	S	.	.	H	α-helix	trans	-59.2	-40.2	177.7	-68.1	-8.8	0	0	0	112.2	T241 R247 E248 A249	T241-N245 VanDerWaalsContact O-CG 3.29Å; T241-N245 PolarHBondContact O-N 2.99Å; N245-R247 VanDerWaalsContact C-N 3.34Å; N245-R247 PolarHBondContact O-N 3.26Å; N245-E248 PolarHBondContact O-N 3.36Å; N245-A249 WeakPolarHBondContact O-CB 3.44Å; N245-A249 PolarHBondContact O-N 2.93Å
246	L	79.2	Confident	66.6	Low	18 Å²	18	89.3 Å²	89.3	9%	0.094	46%	0.457	C	S	.	.	H	α-helix	trans	-64.8	-40	177	-131.5	153.7	0	0	0	111.2	E152 Y153 I156 R242 Q243 A244 E250	E152-L246 HydrophobicContact CB-CD1 3.85Å; E152-L246 HydrophobicContact CB-CG 4.39Å; Y153-L246 HydrophobicContact CD2-CD1 4.31Å; Y153-L246 HydrophobicContact CD2-CD2 4.26Å; Y153-L246 HydrophobicContact CE2-CD1 4.37Å; Y153-L246 HydrophobicContact CE2-CD2 3.58Å; Y153-L246 HydrophobicContact CG-CD1 4.45Å; I156-L246 HydrophobicContact CD1-CB 4.35Å; I156-L246 HydrophobicContact CD1-CD1 3.31Å; I156-L246 HydrophobicContact CD1-CG 4.45Å; I156-L246 HydrophobicContact CG1-CD1 4.28Å; R242-L246 WeakPolarHBondContact O-CB 3.4Å; R242-L246 PolarHBondContact O-N 3.36Å; R242-L246 VanDerWaalsContact O-N 3.11Å; Q243-L246 PolarHBondContact O-N 3.38Å; A244-L246 VanDerWaalsContact C-N 3.3Å; A244-L246 PolarHBondContact O-N 3.08Å; L246-E250 WeakPolarHBondContact O-CB 3.4Å; L246-E250 VanDerWaalsContact O-CG 3.24Å; L246-E250 WeakPolarHBondContact O-CG 3.39Å; L246-E250 PolarHBondContact O-N 3.29Å
247	R	73	Confident	63.7	Low	148 Å²	148	93.7 Å²	93.7	56%	0.558	48%	0.481	S	S	*	.	H	α-helix	trans	-68.1	-35.7	174.5	-69.2	172.2	-175.9	179.2	6	112.8	Q243 A244 N245 E250 K251	Q243-R247 VanDerWaalsContact O-CG 3.31Å; Q243-R247 WeakPolarHBondContact O-CG 3.24Å; Q243-R247 PolarHBondContact O-N 2.76Å; Q243-R247 VanDerWaalsContact O-N 3.12Å; A244-R247 CarbonylContact O-C 3.47Å; A244-R247 WeakPolarHBondContact O-CB 3.11Å; A244-R247 PolarHBondContact O-N 3.06Å; A244-R247 VanDerWaalsContact O-N 3.08Å; N245-R247 VanDerWaalsContact C-N 3.34Å; N245-R247 PolarHBondContact O-N 3.26Å; R247-E250 PolarHBondContact O-N 3.12Å; R247-K251 WeakPolarHBondContact O-CG 3.17Å; R247-K251 PolarHBondContact O-N 2.89Å
248	E	70.8	Confident	61	Low	118 Å²	118	96.8 Å²	96.8	55%	0.551	50%	0.504	S	S	*	.	H	α-helix	trans	-72.7	-37.3	177	-74	-172.3	175.5	0	0	112.2	A244 N245 E250 K251 S252	A244-E248 PolarHBondContact O-N 2.94Å; N245-E248 PolarHBondContact O-N 3.36Å; E248-E250 VanDerWaalsContact C-N 3.31Å; E248-K251 PolarHBondContact O-N 3.31Å; E248-S252 WeakPolarHBondContact O-CB 3.39Å; E248-S252 PolarHBondContact O-N 3.06Å; E248-S252 PolarHBondContact O-OG 3.05Å
249	A	68.8	Low	58.2	Low	42 Å²	42	98.3 Å²	98.3	35%	0.347	52%	0.52	S	S	.	.	H	α-helix	trans	-63.5	-38.7	171.1	0	0	0	0	0	111.4	N245 Q253	N245-A249 WeakPolarHBondContact O-CB 3.44Å; N245-A249 PolarHBondContact O-N 2.93Å; A249-Q253 WeakPolarHBondContact O-CG 3.37Å; A249-Q253 PolarHBondContact O-N 3.2Å
250	E	68.4	Low	55.1	Low	86 Å²	86	105.3 Å²	105.3	40%	0.402	55%	0.554	S	S	.	*	H	α-helix	trans	-64.4	-40.3	172.7	-74.5	171.5	172.6	0	0	111.9	Y153 L246 R247 E248	Y153-E250 PolarHBondContact OH-OE1 2.97Å; Y153-E250 VanDerWaalsContact OH-OE1 3.11Å; L246-E250 WeakPolarHBondContact O-CB 3.4Å; L246-E250 VanDerWaalsContact O-CG 3.24Å; L246-E250 WeakPolarHBondContact O-CG 3.39Å; L246-E250 PolarHBondContact O-N 3.29Å; R247-E250 PolarHBondContact O-N 3.12Å; E248-E250 VanDerWaalsContact C-N 3.31Å
251	K	51.9	Low	52.2	Low	150 Å²	150	109.8 Å²	109.8	65%	0.652	57%	0.574	S	S	*	*	H	α-helix	trans	-71.5	-40	177.3	-75.9	175	-179.7	-179.8	0	113.7	R247 E248 Q253 E254	R247-K251 WeakPolarHBondContact O-CG 3.17Å; R247-K251 PolarHBondContact O-N 2.89Å; E248-K251 PolarHBondContact O-N 3.31Å; K251-Q253 PolarHBondContact O-N 2.89Å; K251-E254 PolarHBondContact O-N 3.23Å
252	S	44.4	Very low	49.1	Very low	80 Å²	80	114.3 Å²	114.3	56%	0.559	59%	0.59	S	S	*	*	H	α-helix	trans	-69.5	-16.4	-177.5	-55.5	0	0	0	0	112.8	E248 E254	E248-S252 WeakPolarHBondContact O-CB 3.39Å; E248-S252 PolarHBondContact O-N 3.06Å; E248-S252 PolarHBondContact O-OG 3.05Å; S252-E254 VanDerWaalsContact C-N 3.33Å
253	Q	38.9	Very low	45.9	Very low	142 Å²	142	113.2 Å²	113.2	66%	0.664	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-11.9	171.9	-74.2	-175.3	-3.9	0	0	113.8	A249 K251	A249-Q253 WeakPolarHBondContact O-CG 3.37Å; A249-Q253 PolarHBondContact O-N 3.2Å; K251-Q253 PolarHBondContact O-N 2.89Å
254	E	34.2	Very low	43.1	Very low	171 Å²	171	116.9 Å²	116.9	80%	0.799	64%	0.639	S	S	*	*	S	Bend	trans	-96.2	-11.2	179.4	-71.4	-170.1	157.6	0	0	114	K251 S252	K251-E254 PolarHBondContact O-N 3.23Å; S252-E254 VanDerWaalsContact C-N 3.33Å
255	T	27.7	Very low	40.4	Very low	116 Å²	116	118.7 Å²	118.7	71%	0.712	66%	0.655	S	S	*	*			trans	-141.7	85.1	-177.6	56.4	0	0	0	0	112.5
256	S	25.2	Very low	37.7	Very low	107 Å²	107	122.1 Å²	122.1	75%	0.748	67%	0.672	S	S	*	*			trans	-143.2	91.2	161.8	75.9	0	0	0	0	111.3
257	D	21.3	Very low	35	Very low	157 Å²	157	125.8 Å²	125.8	84%	0.84	70%	0.699	S	S	*	*			trans	-140.8	135.9	155.5	-99.4	-27.1	0	0	0	107.8
258	T	23.4	Very low	32.6	Very low	131 Å²	131	126.1 Å²	126.1	80%	0.804	71%	0.712	S	S	*	*			trans	95.4	88.7	169.9	63.1	0	0	0	0	121.3
259	S	23.6	Very low	30.6	Very low	96 Å²	96	126.3 Å²	126.3	67%	0.671	73%	0.726	S	S	*	*				38.5	118.4	116.9	63.8	0	0	0	0	121.1
260	E	19.3	Very low	28.7	Very low	187 Å²	187	133.6 Å²	133.6	87%	0.874	75%	0.753	S	S	*	*				71.4	119.8	88.9	-71.2	-179.7	178.9	0	0	116.4
261	F	20.9	Very low	27	Very low	201 Å²	201	138.4 Å²	138.4	88%	0.882	77%	0.773	S	S	*	*				-172.2	148.9	121	-150.9	-106.8	0	0	0	113.8
262	E	18.5	Very low	26.5	Very low	173 Å²	173	135.7 Å²	135.7	81%	0.808	77%	0.769	S	S	*	*			trans	-98.4	170.5	-174	-58	172.9	135.8	0	0	113.9
263	G	18.8	Very low	26.7	Very low	74 Å²	74	137 Å²	137	76%	0.763	77%	0.769	S	S	*	*			trans	127.6	96.7	136.7	0	0	0	0	0	120.8
264	S	20.5	Very low	27.4	Very low	124 Å²	124	136.3 Å²	136.3	87%	0.867	77%	0.77	S	S	*	*				46	134.6	121.4	-169	0	0	0	0	124.8
265	A	20.9	Very low	29	Very low	80 Å²	80	136.6 Å²	136.6	66%	0.661	77%	0.771	S	S	*	*				120.1	123.7	122	0	0	0	0	0	122.1
266	L	22.1	Very low	31.5	Very low	163 Å²	163	132.8 Å²	132.8	85%	0.853	75%	0.746	S	S	*	*			trans	92.4	122	132.9	-67.5	166.3	0	0	0	125.4
267	S	22.6	Very low	34.5	Very low	96 Å²	96	133.6 Å²	133.6	67%	0.671	74%	0.742	S	S	*	*				79.9	125.5	125	75.1	0	0	0	0	125.5
268	D	23.5	Very low	37.7	Very low	155 Å²	155	128.2 Å²	128.2	83%	0.829	72%	0.72	S	S	*	*			trans	68.1	121.4	134	-66.2	-14.5	0	0	0	125
269	S	27.3	Very low	41	Very low	121 Å²	121	123.6 Å²	123.6	85%	0.846	69%	0.689	S	S	*	*			trans	111.1	127	132.7	74.4	0	0	0	0	120	K271	S269-K271 PolarHBondContact O-N 3.18Å
270	E	30.1	Very low	44.1	Very low	196 Å²	196	120.3 Å²	120.3	92%	0.916	67%	0.667	S	S	*	*			trans	-63.2	111.4	-175.8	-63.6	170.5	134.1	0	0	114.1
271	K	32.5	Very low	47.5	Very low	186 Å²	186	115.7 Å²	115.7	81%	0.809	65%	0.647	S	S	*	*			trans	-145.4	130.8	146.7	-80.1	-175.1	-179.5	168	0	107.8	S269 N273	S269-K271 PolarHBondContact O-N 3.18Å; K271-N273 PolarHBondContact O-N 2.77Å
272	V	41.7	Very low	50.8	Low	94 Å²	94	107.4 Å²	107.4	57%	0.57	61%	0.612	S	S	*	*			trans	-58.9	101.5	174.3	-179.9	0	0	0	0	108.2	N274	V272-N274 PolarHBondContact O-N 2.77Å
273	N	47	Very low	53.6	Low	107 Å²	107	104.1 Å²	104.1	57%	0.572	60%	0.601	S	S	*	*			trans	-72.7	106.7	177.5	-94.5	-26.8	0	0	0	108.7	K271 H275 L276 R341	K271-N273 PolarHBondContact O-N 2.77Å; N273-H275 PolarHBondContact O-N 3.49Å; N273-L276 HydrophobicContact CB-CD1 4.34Å; N273-L276 HydrophobicContact CB-CG 4.41Å; N273-R341 PolarHBondContact O-NH1 3.02Å; N273-R341 VanDerWaalsContact O-NH1 3.08Å
274	N	54.7	Low	56.3	Low	127 Å²	127	104.9 Å²	104.9	68%	0.679	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	6	177.9	-81.5	-11.6	0	0	0	114.8	V272	V272-N274 PolarHBondContact O-N 2.77Å
275	H	67.1	Low	59.1	Low	178 Å²	178	100.9 Å²	100.9	82%	0.824	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	-0.8	-174.7	-81.5	-68.9	0	0	0	115.6	N273	N273-H275 PolarHBondContact O-N 3.49Å
276	L	80.6	Confident	61.3	Low	36 Å²	36	100.2 Å²	100.2	19%	0.188	56%	0.559	C	S	.	*	P	Polyproline II helix	trans	-79.9	135.1	177.7	-66.7	170.2	0	0	0	111.3	N273 V303 T309 R341	N273-L276 HydrophobicContact CB-CD1 4.34Å; N273-L276 HydrophobicContact CB-CG 4.41Å; L276-V303 HydrophobicContact CB-CG1 3.79Å; L276-V303 WeakPolarHBondContact O-CG1 3.45Å; L276-T309 HydrophobicContact CD1-CG2 3.69Å; L276-T309 HydrophobicContact CD2-CG2 4.34Å; L276-R341 PolarHBondContact O-NH1 3.45Å; L276-R341 PolarHBondContact O-NH2 3.37Å
277	D	87.7	Confident	63.4	Low	123 Å²	123	96.7 Å²	96.7	66%	0.658	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-78.2	153.9	174.6	-65.5	-43.3	0	0	0	111.5	A310	D277-A310 HydrophobicContact CB-CB 4.11Å; D277-A310 WeakPolarHBondContact O-CB 3.45Å
278	A	89.6	Confident	65.5	Low	45 Å²	45	99 Å²	99	37%	0.372	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-70.4	138.1	168.6	0	0	0	0	0	110.1	K301 L302 V303	A278-K301 HydrophobicContact CB-CB 3.83Å; A278-L302 CarbonylContact C-O 3.59Å; A278-L302 VanDerWaalsContact CA-O 3.26Å; A278-L302 WeakPolarHBondContact CA-O 3.28Å; A278-V303 HydrophobicContact CB-CG2 4.28Å
279	F	91	Very high	68.2	Low	34 Å²	34	93.3 Å²	93.3	15%	0.149	53%	0.53	C	S	.	.			trans	-120.1	-12.6	-176.3	65.4	-95.3	0	0	0	114.2	L302 V303 F305 I308 A310 F313 I319	F279-L302 WeakPolarHBondContact CD1-O 3.25Å; F279-L302 HydrophobicContact CE1-CD2 4.4Å; F279-L302 HydrophobicContact CE1-CG 4.06Å; F279-L302 HydrophobicContact CE2-CD2 3.69Å; F279-L302 HydrophobicContact CE2-CG 4.2Å; F279-L302 HydrophobicContact CZ-CB 4.44Å; F279-L302 HydrophobicContact CZ-CD2 3.53Å; F279-L302 HydrophobicContact CZ-CG 3.67Å; F279-L302 PolarHBondContact N-O 3.45Å; F279-V303 WeakPolarHBondContact CE1-O 3.33Å; F279-F305 HydrophobicContact CZ-CB 4.15Å; F279-I308 HydrophobicContact CE1-CG2 4.48Å; F279-I308 HydrophobicContact CE2-CG2 3.95Å; F279-I308 HydrophobicContact CZ-CB 4.38Å; F279-I308 HydrophobicContact CZ-CG2 3.79Å; F279-A310 HydrophobicContact CB-CB 3.81Å; F279-F313 HydrophobicContact CB-CB 4.24Å; F279-F313 HydrophobicContact CB-CD1 4.22Å; F279-F313 HydrophobicContact CB-CG 4.35Å; F279-F313 HydrophobicContact CD2-CB 3.74Å; F279-F313 AromaticContact CD2-CD1 3.68Å; F279-F313 HydrophobicContact CD2-CD1 3.68Å; F279-F313 AromaticContact CD2-CD2 3.53Å; F279-F313 HydrophobicContact CD2-CD2 3.53Å; F279-F313 HydrophobicContact CD2-CE1 4.11Å; F279-F313 AromaticContact CD2-CE2 3.98Å; F279-F313 HydrophobicContact CD2-CE2 3.98Å; F279-F313 AromaticContact CD2-CG 3.34Å; F279-F313 HydrophobicContact CD2-CG 3.34Å; F279-F313 HydrophobicContact CD2-CZ 4.25Å; F279-F313 HydrophobicContact CE2-CB 4.27Å; F279-F313 AromaticContact CE2-CD2 3.54Å; F279-F313 HydrophobicContact CE2-CD2 3.54Å; F279-F313 AromaticContact CE2-CE2 3.93Å; F279-F313 HydrophobicContact CE2-CE2 3.93Å; F279-F313 AromaticContact CE2-CG 3.86Å; F279-F313 HydrophobicContact CE2-CG 3.86Å; F279-F313 HydrophobicContact CG-CB 4.05Å; F279-F313 HydrophobicContact CG-CD1 4.35Å; F279-F313 HydrophobicContact CG-CG 4.09Å; F279-I319 HydrophobicContact CE2-CD1 4.27Å
280	A	90.6	Very high	70.8	Confident	27 Å²	27	90 Å²	90	22%	0.223	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	165	174.3	0	0	0	0	0	110	K301 L302	A280-K301 CarbonylContact O-C 3.29Å; A280-L302 HydrophobicContact CB-CB 4.12Å; A280-L302 HydrophobicContact CB-CD2 4.26Å; A280-L302 PolarHBondContact O-N 3.01Å
281	M	90.2	Very high	73.6	Confident	89 Å²	89	81.5 Å²	81.5	44%	0.438	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139	174.7	-175.1	171.2	67.1	0	0	109.3	N283 D300 K301	M281-N283 PolarHBondContact O-N 3.18Å; M281-D300 CarbonylContact C-O 3.49Å; M281-D300 WeakPolarHBondContact CA-O 3.13Å; M281-K301 HydrophobicContact CG-CG 4.48Å
282	V	88.8	Confident	76	Confident	27 Å²	27	74.5 Å²	74.5	16%	0.164	45%	0.445	C	S	.	.			trans	-78.4	107.5	177.8	178.6	0	0	0	0	109	S284 V285 F296 N299 D300	V282-S284 WeakPolarHBondContact CG1-O 3.48Å; V282-V285 HydrophobicContact CG1-CG2 3.52Å; V282-F296 HydrophobicContact CG2-CD1 3.83Å; V282-F296 HydrophobicContact CG2-CE1 4.3Å; V282-N299 WeakPolarHBondContact O-CA 3.42Å; V282-N299 PolarHBondContact O-N 3.36Å; V282-D300 HydrophobicContact CB-CB 4.15Å; V282-D300 HydrophobicContact CG2-CB 3.97Å; V282-D300 PolarHBondContact N-O 2.99Å
283	N	77.5	Confident	78.1	Confident	105 Å²	105	75.8 Å²	75.8	56%	0.561	44%	0.443	S	S	*	.			trans	-75.3	-34.7	-178	-169.8	32.6	0	0	0	113.1	M281 T298	M281-N283 PolarHBondContact O-N 3.18Å; N283-T298 VanDerWaalsContact O-CG2 3.22Å; N283-T298 WeakPolarHBondContact O-CG2 3.43Å
284	S	76.5	Confident	80.1	Confident	90 Å²	90	71.5 Å²	71.5	63%	0.629	42%	0.422	S	S	*	.			trans	-157	161.3	176.2	65.7	0	0	0	0	110.2	V282	V282-S284 WeakPolarHBondContact CG1-O 3.48Å
285	V	79.6	Confident	81.8	Confident	39 Å²	39	66.8 Å²	66.8	24%	0.236	40%	0.404	C	S	.	.			trans	-130.9	109.6	175.7	-175.6	0	0	0	0	108.5	V282 A292 F296	V282-V285 HydrophobicContact CG1-CG2 3.52Å; V285-A292 HydrophobicContact CG1-CB 3.76Å; V285-A292 VanDerWaalsContact CG1-N 3.31Å; V285-F296 HydrophobicContact CG1-CB 4.49Å; V285-F296 HydrophobicContact CG2-CB 3.93Å
286	A	66.9	Low	83.1	Confident	67 Å²	67	59.4 Å²	59.4	55%	0.554	37%	0.369	S	S	*	.			trans	-61.4	139.3	177.4	0	0	0	0	0	111.1	S289	A286-S289 WeakPolarHBondContact O-CB 3.18Å; A286-S289 PolarHBondContact O-N 3.43Å; A286-S289 PolarHBondContact O-OG 3.24Å
287	A	65.4	Low	83.5	Confident	88 Å²	88	62.4 Å²	62.4	73%	0.727	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	141.1	177.4	0	0	0	0	0	111.1	S289	A287-S289 PolarHBondContact O-N 2.86Å
288	N	67.8	Low	83.4	Confident	145 Å²	145	59.1 Å²	59.1	78%	0.775	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	4.9	-177.4	-55.1	-45.5	0	0	0	116.1
289	S	79.2	Confident	83.2	Confident	35 Å²	35	59.1 Å²	59.1	25%	0.245	36%	0.361	C	S	.	.	S	Bend	trans	-65.5	164.7	175.6	68.5	0	0	0	0	112.2	A286 A287 G291 A292 K293	A286-S289 WeakPolarHBondContact O-CB 3.18Å; A286-S289 PolarHBondContact O-N 3.43Å; A286-S289 PolarHBondContact O-OG 3.24Å; A287-S289 PolarHBondContact O-N 2.86Å; S289-G291 PolarHBondContact O-N 3.48Å; S289-G291 PolarHBondContact OG-N 3.14Å; S289-A292 PolarHBondContact O-N 2.99Å; S289-A292 VanDerWaalsContact O-N 3.14Å; S289-A292 PolarHBondContact OG-N 3.05Å; S289-A292 VanDerWaalsContact OG-N 3.11Å; S289-K293 WeakPolarHBondContact O-CG 3.37Å; S289-K293 PolarHBondContact O-N 3.06Å
290	L	83.1	Confident	83.3	Confident	52 Å²	52	57.5 Å²	57.5	27%	0.272	35%	0.354	S	S	.	.	H	α-helix	trans	-54.5	-39.5	171.6	-179.7	63.6	0	0	0	111.8	K293 A294 L346 L347 P348	L290-K293 PolarHBondContact O-N 2.83Å; L290-A294 VanDerWaalsContact O-CB 3.26Å; L290-A294 WeakPolarHBondContact O-CB 3.42Å; L290-A294 PolarHBondContact O-N 2.79Å; L290-L346 HydrophobicContact CD1-CB 4.43Å; L290-L346 HydrophobicContact CD2-CB 4.28Å; L290-L346 HydrophobicContact CD2-CD2 3.99Å; L290-L346 HydrophobicContact CG-CB 4.3Å; L290-L346 HydrophobicContact CG-CD2 4.04Å; L290-L347 WeakPolarHBondContact CD1-O 3.19Å; L290-P348 HydrophobicContact CD2-CB 4.25Å; L290-P348 HydrophobicContact CD2-CG 4.33Å
291	G	87.7	Confident	83.4	Confident	17 Å²	17	61 Å²	61	18%	0.175	37%	0.365	C	S	.	.	H	α-helix	trans	-63.3	-47.2	175.9	0	0	0	0	0	112.4	S289 K293 A294 G295 F296	S289-G291 PolarHBondContact O-N 3.48Å; S289-G291 PolarHBondContact OG-N 3.14Å; G291-K293 PolarHBondContact O-N 2.93Å; G291-A294 PolarHBondContact O-N 3.35Å; G291-G295 PolarHBondContact O-N 3.48Å; G291-F296 WeakPolarHBondContact O-CB 3.31Å; G291-F296 WeakPolarHBondContact O-CD2 3.43Å; G291-F296 PolarHBondContact O-N 3.21Å
292	A	84.1	Confident	83.5	Confident	39 Å²	39	57.2 Å²	57.2	32%	0.322	35%	0.346	S	S	.	.	H	α-helix	trans	-60.3	-45.6	176.9	0	0	0	0	0	111.6	V285 S289 A294 G295	V285-A292 HydrophobicContact CG1-CB 3.76Å; V285-A292 VanDerWaalsContact CG1-N 3.31Å; S289-A292 PolarHBondContact O-N 2.99Å; S289-A292 VanDerWaalsContact O-N 3.14Å; S289-A292 PolarHBondContact OG-N 3.05Å; S289-A292 VanDerWaalsContact OG-N 3.11Å; A292-A294 VanDerWaalsContact C-N 3.32Å; A292-A294 PolarHBondContact O-N 3.43Å; A292-G295 PolarHBondContact O-N 3.26Å; A292-G295 VanDerWaalsContact O-N 3.08Å
293	K	84.7	Confident	83.8	Confident	122 Å²	122	56 Å²	56	53%	0.53	34%	0.339	S	S	.	.	H	α-helix	trans	-62.2	-38.3	177.2	-70.8	179.1	179.1	-176.6	0	112.4	S289 L290 G291 G295 E349	S289-K293 WeakPolarHBondContact O-CG 3.37Å; S289-K293 PolarHBondContact O-N 3.06Å; L290-K293 PolarHBondContact O-N 2.83Å; G291-K293 PolarHBondContact O-N 2.93Å; K293-G295 PolarHBondContact O-N 3.02Å; K293-E349 IonicContact NZ-OE1 2.81Å; K293-E349 PolarHBondContact NZ-OE1 3.35Å; K293-E349 IonicContact NZ-OE2 2.91Å; K293-E349 PolarHBondContact NZ-OE2 3.37Å
294	A	90.2	Very high	84.5	Confident	17 Å²	17	53.6 Å²	53.6	14%	0.14	32%	0.324	C	S	.	.	H	α-helix	trans	-74.8	-10.9	176.4	0	0	0	0	0	113.4	L290 G291 A292 F296 K345 L346	L290-A294 VanDerWaalsContact O-CB 3.26Å; L290-A294 WeakPolarHBondContact O-CB 3.42Å; L290-A294 PolarHBondContact O-N 2.79Å; G291-A294 PolarHBondContact O-N 3.35Å; A292-A294 VanDerWaalsContact C-N 3.32Å; A292-A294 PolarHBondContact O-N 3.43Å; A294-F296 HydrophobicContact CB-CD2 3.97Å; A294-F296 HydrophobicContact CB-CE2 4.06Å; A294-K345 WeakPolarHBondContact CB-O 3.37Å; A294-L346 HydrophobicContact CB-CB 4.36Å; A294-L346 HydrophobicContact CB-CG 3.77Å
295	G	90.3	Very high	85.4	Confident	28 Å²	28	49.8 Å²	49.8	29%	0.289	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	20.5	177.5	0	0	0	0	0	114.7	G291 A292 K293 R337	G291-G295 PolarHBondContact O-N 3.48Å; A292-G295 PolarHBondContact O-N 3.26Å; A292-G295 VanDerWaalsContact O-N 3.08Å; K293-G295 PolarHBondContact O-N 3.02Å; G295-R337 PolarHBondContact O-NH2 3.29Å
296	F	93.4	Very high	85.9	Confident	22 Å²	22	48.3 Å²	48.3	10%	0.096	29%	0.289	C	S	.	.			trans	-62.8	146.1	167.6	-76.1	-90.1	0	0	0	110.4	V282 V285 G291 A294 D300 L302 T333 V335 L344 L346	V282-F296 HydrophobicContact CG2-CD1 3.83Å; V282-F296 HydrophobicContact CG2-CE1 4.3Å; V285-F296 HydrophobicContact CG1-CB 4.49Å; V285-F296 HydrophobicContact CG2-CB 3.93Å; G291-F296 WeakPolarHBondContact O-CB 3.31Å; G291-F296 WeakPolarHBondContact O-CD2 3.43Å; G291-F296 PolarHBondContact O-N 3.21Å; A294-F296 HydrophobicContact CB-CD2 3.97Å; A294-F296 HydrophobicContact CB-CE2 4.06Å; F296-D300 WeakPolarHBondContact CA-OD2 3.21Å; F296-L302 HydrophobicContact CE1-CD1 4.32Å; F296-T333 HydrophobicContact CZ-CG2 4.44Å; F296-T333 WeakPolarHBondContact CZ-OG1 3.33Å; F296-V335 HydrophobicContact CD1-CG1 4.02Å; F296-V335 HydrophobicContact CE1-CG1 3.57Å; F296-V335 HydrophobicContact CZ-CG1 4.43Å; F296-L344 HydrophobicContact CB-CD1 4.4Å; F296-L344 HydrophobicContact CD1-CD1 3.74Å; F296-L344 HydrophobicContact CD2-CD1 3.8Å; F296-L344 HydrophobicContact CE1-CD1 3.9Å; F296-L344 HydrophobicContact CE2-CB 4.32Å; F296-L344 HydrophobicContact CE2-CD1 3.9Å; F296-L344 HydrophobicContact CG-CD1 3.74Å; F296-L344 HydrophobicContact CZ-CD1 3.98Å; F296-L346 HydrophobicContact CE2-CD1 3.53Å; F296-L346 HydrophobicContact CE2-CD2 3.76Å; F296-L346 HydrophobicContact CE2-CG 3.7Å; F296-L346 HydrophobicContact CZ-CD1 3.83Å; F296-L346 HydrophobicContact CZ-CD2 4.41Å; F296-L346 HydrophobicContact CZ-CG 4.44Å
297	M	89.4	Confident	86.9	Confident	100 Å²	100	51.4 Å²	51.4	49%	0.493	30%	0.297	S	S	.	.			trans	-126.1	152.7	172.9	-66.2	-178.7	-179.7	0	0	109.1	N299 D300 R337	M297-N299 PolarHBondContact O-N 3.35Å; M297-D300 PolarHBondContact N-OD2 3.42Å; M297-D300 WeakPolarHBondContact O-CB 3.39Å; M297-D300 VanDerWaalsContact O-CG 3.27Å; M297-D300 PolarHBondContact O-N 3.42Å; M297-D300 VanDerWaalsContact O-N 3.14Å; M297-R337 PolarHBondContact SD-NH1 3.06Å
298	T	86.4	Confident	88.1	Confident	54 Å²	54	47.5 Å²	47.5	33%	0.331	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	137.5	166.2	-56	0	0	0	0	109.6	N283 D300	N283-T298 VanDerWaalsContact O-CG2 3.22Å; N283-T298 WeakPolarHBondContact O-CG2 3.43Å; T298-D300 VanDerWaalsContact C-N 3.33Å
299	N	85.4	Confident	89.3	Confident	44 Å²	44	41.6 Å²	41.6	24%	0.235	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	8.1	-175	-60.5	-19.9	0	0	0	117.6	V282 M297 K301 Q516	V282-N299 WeakPolarHBondContact O-CA 3.42Å; V282-N299 PolarHBondContact O-N 3.36Å; M297-N299 PolarHBondContact O-N 3.35Å; N299-K301 PolarHBondContact O-N 3.25Å; N299-Q516 PolarHBondContact ND2-NE2 3.08Å; N299-Q516 PolarHBondContact ND2-OE1 3.44Å; N299-Q516 PolarHBondContact OD1-OE1 3.24Å
300	D	92.1	Very high	89.7	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.233	C	C	.	.			trans	-59.3	124.1	167.4	-81.2	-15	0	0	0	110.2	M281 V282 F296 M297 T298 V335 R337	M281-D300 CarbonylContact C-O 3.49Å; M281-D300 WeakPolarHBondContact CA-O 3.13Å; V282-D300 HydrophobicContact CB-CB 4.15Å; V282-D300 HydrophobicContact CG2-CB 3.97Å; V282-D300 PolarHBondContact N-O 2.99Å; F296-D300 WeakPolarHBondContact CA-OD2 3.21Å; M297-D300 PolarHBondContact N-OD2 3.42Å; M297-D300 WeakPolarHBondContact O-CB 3.39Å; M297-D300 VanDerWaalsContact O-CG 3.27Å; M297-D300 PolarHBondContact O-N 3.42Å; M297-D300 VanDerWaalsContact O-N 3.14Å; T298-D300 VanDerWaalsContact C-N 3.33Å; D300-V335 HydrophobicContact CB-CB 3.91Å; D300-V335 HydrophobicContact CB-CG1 4.02Å; D300-V335 HydrophobicContact CB-CG2 4.25Å; D300-R337 WeakPolarHBondContact OD1-CB 3.29Å; D300-R337 IonicContact OD1-CZ 2.73Å; D300-R337 IonicContact OD1-NE 2.84Å; D300-R337 PolarHBondContact OD1-NE 3.29Å; D300-R337 IonicContact OD1-NH2 2.75Å; D300-R337 PolarHBondContact OD1-NH2 3.35Å; D300-R337 IonicContact OD2-CZ 2.71Å; D300-R337 IonicContact OD2-NE 3.64Å; D300-R337 IonicContact OD2-NH2 2.73Å; D300-R337 PolarHBondContact OD2-NH2 3.05Å
301	K	92	Very high	89.8	Confident	100 Å²	100	44.2 Å²	44.2	44%	0.435	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	114.6	174.3	-67.7	-178.3	-177.6	-179.2	0	109.6	A278 A280 M281 N299 V303 V335 E336	A278-K301 HydrophobicContact CB-CB 3.83Å; A280-K301 CarbonylContact O-C 3.29Å; M281-K301 HydrophobicContact CG-CG 4.48Å; N299-K301 PolarHBondContact O-N 3.25Å; K301-V303 PolarHBondContact O-N 3.16Å; K301-V335 CarbonylContact O-C 3.55Å; K301-V335 VanDerWaalsContact O-CA 3.24Å; K301-V335 WeakPolarHBondContact O-CA 3.43Å; K301-E336 HydrophobicContact CB-CB 4.18Å; K301-E336 PolarHBondContact N-O 3.32Å; K301-E336 PolarHBondContact O-N 3.39Å
302	L	93.7	Very high	89.8	Confident	9 Å²	9	46.6 Å²	46.6	5%	0.047	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	115.9	-177.4	-166.9	64	0	0	0	110.6	A278 F279 A280 F296 F305 I319 V335	A278-L302 CarbonylContact C-O 3.59Å; A278-L302 VanDerWaalsContact CA-O 3.26Å; A278-L302 WeakPolarHBondContact CA-O 3.28Å; F279-L302 WeakPolarHBondContact CD1-O 3.25Å; F279-L302 HydrophobicContact CE1-CD2 4.4Å; F279-L302 HydrophobicContact CE1-CG 4.06Å; F279-L302 HydrophobicContact CE2-CD2 3.69Å; F279-L302 HydrophobicContact CE2-CG 4.2Å; F279-L302 HydrophobicContact CZ-CB 4.44Å; F279-L302 HydrophobicContact CZ-CD2 3.53Å; F279-L302 HydrophobicContact CZ-CG 3.67Å; F279-L302 PolarHBondContact N-O 3.45Å; A280-L302 HydrophobicContact CB-CB 4.12Å; A280-L302 HydrophobicContact CB-CD2 4.26Å; A280-L302 PolarHBondContact O-N 3.01Å; F296-L302 HydrophobicContact CE1-CD1 4.32Å; L302-F305 HydrophobicContact CD1-CB 4.29Å; L302-F305 HydrophobicContact CD1-CD2 4.09Å; L302-F305 HydrophobicContact CD2-CB 3.99Å; L302-F305 HydrophobicContact CD2-CD2 4.05Å; L302-F305 HydrophobicContact CD2-CG 4.42Å; L302-F305 HydrophobicContact CG-CB 4.35Å; L302-I319 HydrophobicContact CD2-CD1 3.97Å; L302-V335 HydrophobicContact CD1-CG1 3.98Å
303	V	93.6	Very high	89.9	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-36.5	178.6	178.8	0	0	0	0	111	L276 A278 F279 K301 V334 E336	L276-V303 HydrophobicContact CB-CG1 3.79Å; L276-V303 WeakPolarHBondContact O-CG1 3.45Å; A278-V303 HydrophobicContact CB-CG2 4.28Å; F279-V303 WeakPolarHBondContact CE1-O 3.33Å; K301-V303 PolarHBondContact O-N 3.16Å; V303-V334 HydrophobicContact CB-CG1 4.46Å; V303-V334 WeakPolarHBondContact CB-O 3.25Å; V303-V334 PolarHBondContact N-O 3.25Å; V303-E336 HydrophobicContact CG2-CB 4.07Å
304	Q	93.7	Very high	89.8	Confident	55 Å²	55	46.5 Å²	46.5	26%	0.257	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	137.8	178.5	-177.2	178.2	-14.4	0	0	110.3	G306 I308 T309 T333 V334	Q304-G306 VanDerWaalsContact CG-O 3.29Å; Q304-G306 WeakPolarHBondContact CG-O 3.46Å; Q304-G306 PolarHBondContact NE2-O 3.35Å; Q304-I308 CarbonylContact C-O 3.57Å; Q304-I308 WeakPolarHBondContact CA-O 3.4Å; Q304-T309 HydrophobicContact CB-CG2 4.49Å; Q304-T309 HydrophobicContact CG-CG2 4.13Å; Q304-T333 CarbonylContact O-C 3.58Å; Q304-T333 VanDerWaalsContact O-CA 3.24Å; Q304-T333 WeakPolarHBondContact O-CA 3.48Å; Q304-T333 WeakPolarHBondContact O-CB 3.4Å; Q304-V334 HydrophobicContact CB-CB 4Å; Q304-V334 HydrophobicContact CB-CG2 4.16Å; Q304-V334 PolarHBondContact N-O 3.41Å; Q304-V334 VanDerWaalsContact N-O 3.1Å; Q304-V334 PolarHBondContact O-N 3.32Å
305	F	93.9	Very high	89.3	Confident	9 Å²	9	49.3 Å²	49.3	4%	0.039	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	99	171	-165.7	-77.1	0	0	0	110.5	F279 L302 D307 I308 I319 F322 I323 I331 T333 L346	F279-F305 HydrophobicContact CZ-CB 4.15Å; L302-F305 HydrophobicContact CD1-CB 4.29Å; L302-F305 HydrophobicContact CD1-CD2 4.09Å; L302-F305 HydrophobicContact CD2-CB 3.99Å; L302-F305 HydrophobicContact CD2-CD2 4.05Å; L302-F305 HydrophobicContact CD2-CG 4.42Å; L302-F305 HydrophobicContact CG-CB 4.35Å; F305-D307 PolarHBondContact O-N 3.19Å; F305-D307 VanDerWaalsContact O-N 3.13Å; F305-I308 HydrophobicContact CB-CB 4.37Å; F305-I308 HydrophobicContact CD1-CD1 4.47Å; F305-I308 PolarHBondContact N-O 3.29Å; F305-I308 VanDerWaalsContact O-CB 3.26Å; F305-I308 WeakPolarHBondContact O-CB 3.24Å; F305-I308 WeakPolarHBondContact O-CG1 3.41Å; F305-I308 PolarHBondContact O-N 3.23Å; F305-I319 HydrophobicContact CD1-CG2 4.05Å; F305-I319 HydrophobicContact CD2-CG2 4.28Å; F305-I319 HydrophobicContact CE1-CG2 3.83Å; F305-I319 HydrophobicContact CE2-CG2 4.09Å; F305-I319 HydrophobicContact CG-CG2 4.29Å; F305-I319 HydrophobicContact CZ-CG2 3.87Å; F305-F322 HydrophobicContact CD1-CD1 4.06Å; F305-F322 HydrophobicContact CE1-CD1 4.01Å; F305-I323 HydrophobicContact CE1-CD1 4.21Å; F305-I323 HydrophobicContact CE1-CG1 3.7Å; F305-I323 HydrophobicContact CZ-CD1 3.75Å; F305-I323 HydrophobicContact CZ-CG1 3.66Å; F305-I331 HydrophobicContact CD1-CG2 4.1Å; F305-I331 HydrophobicContact CE1-CD1 4.3Å; F305-I331 HydrophobicContact CE1-CG2 3.76Å; F305-I331 HydrophobicContact CZ-CG2 4.18Å; F305-T333 HydrophobicContact CB-CG2 4.27Å; F305-T333 HydrophobicContact CD1-CG2 4.35Å; F305-T333 HydrophobicContact CD2-CG2 3.34Å; F305-T333 HydrophobicContact CE2-CG2 3.6Å; F305-T333 HydrophobicContact CG-CG2 3.74Å; F305-T333 HydrophobicContact CZ-CG2 4.19Å; F305-L346 HydrophobicContact CE2-CD1 4.03Å; F305-L346 HydrophobicContact CE2-CD2 4.17Å; F305-L346 HydrophobicContact CZ-CD1 4.31Å; F305-L346 HydrophobicContact CZ-CD2 4.21Å
306	G	90.3	Very high	88.8	Confident	9 Å²	9	53.6 Å²	53.6	9%	0.093	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	-115.7	-166.6	0	0	0	0	0	110.4	Q304 S332	Q304-G306 VanDerWaalsContact CG-O 3.29Å; Q304-G306 WeakPolarHBondContact CG-O 3.46Å; Q304-G306 PolarHBondContact NE2-O 3.35Å; G306-S332 WeakPolarHBondContact CA-O 3.45Å; G306-S332 PolarHBondContact N-O 3.03Å
307	D	88.2	Confident	88.1	Confident	132 Å²	132	57.2 Å²	57.2	71%	0.706	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-2.6	176.9	-57.3	-28.8	0	0	0	113.1	F305 F322	F305-D307 PolarHBondContact O-N 3.19Å; F305-D307 VanDerWaalsContact O-N 3.13Å; D307-F322 HydrophobicContact CB-CE2 4.13Å
308	I	91.9	Very high	87.8	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	128.7	-180	-53.8	170.7	0	0	0	109.1	F279 Q304 F305 F313 Q318 I319 F322	F279-I308 HydrophobicContact CE1-CG2 4.48Å; F279-I308 HydrophobicContact CE2-CG2 3.95Å; F279-I308 HydrophobicContact CZ-CB 4.38Å; F279-I308 HydrophobicContact CZ-CG2 3.79Å; Q304-I308 CarbonylContact C-O 3.57Å; Q304-I308 WeakPolarHBondContact CA-O 3.4Å; F305-I308 HydrophobicContact CB-CB 4.37Å; F305-I308 HydrophobicContact CD1-CD1 4.47Å; F305-I308 PolarHBondContact N-O 3.29Å; F305-I308 VanDerWaalsContact O-CB 3.26Å; F305-I308 WeakPolarHBondContact O-CB 3.24Å; F305-I308 WeakPolarHBondContact O-CG1 3.41Å; F305-I308 PolarHBondContact O-N 3.23Å; I308-F313 HydrophobicContact CG2-CB 4.05Å; I308-F313 HydrophobicContact CG2-CD2 3.8Å; I308-F313 HydrophobicContact CG2-CG 4.41Å; I308-Q318 HydrophobicContact CD1-CB 4.43Å; I308-Q318 HydrophobicContact CD1-CG 3.86Å; I308-Q318 HydrophobicContact CG1-CG 4.26Å; I308-I319 HydrophobicContact CD1-CG1 4.1Å; I308-F322 HydrophobicContact CD1-CB 3.81Å; I308-F322 HydrophobicContact CD1-CD2 4.33Å; I308-F322 HydrophobicContact CD1-CG 4.13Å; I308-F322 HydrophobicContact CG1-CD2 4.33Å
309	T	92.5	Very high	87.9	Confident	21 Å²	21	53.3 Å²	53.3	13%	0.129	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	167.6	179.2	58.3	0	0	0	0	109	L276 Q304 P311 T312 F313	L276-T309 HydrophobicContact CD1-CG2 3.69Å; L276-T309 HydrophobicContact CD2-CG2 4.34Å; Q304-T309 HydrophobicContact CB-CG2 4.49Å; Q304-T309 HydrophobicContact CG-CG2 4.13Å; T309-P311 VanDerWaalsContact C-CD 3.45Å; T309-P311 VanDerWaalsContact C-N 3.33Å; T309-P311 VanDerWaalsContact O-N 3.17Å; T309-P311 WeakPolarHBondContact OG1-CD 3.34Å; T309-T312 PolarHBondContact N-OG1 3.03Å; T309-T312 CarbonylContact O-C 3.57Å; T309-T312 PolarHBondContact O-N 3.32Å; T309-T312 PolarHBondContact O-OG1 3.21Å; T309-T312 PolarHBondContact OG1-OG1 2.86Å; T309-F313 WeakPolarHBondContact O-CB 3.26Å; T309-F313 PolarHBondContact O-N 3.4Å
310	A	87.2	Confident	87.7	Confident	32 Å²	32	54.6 Å²	54.6	26%	0.264	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-42	-178.2	0	0	0	0	0	115.4	D277 F279 T312	D277-A310 HydrophobicContact CB-CB 4.11Å; D277-A310 WeakPolarHBondContact O-CB 3.45Å; F279-A310 HydrophobicContact CB-CB 3.81Å; A310-T312 VanDerWaalsContact C-N 3.31Å; A310-T312 PolarHBondContact O-N 2.97Å
311	P	85.4	Confident	87.3	Confident	110 Å²	110	62.1 Å²	62.1	71%	0.714	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.2	176.7	-20.5	33.5	0	0	0	114.6	T309	T309-P311 VanDerWaalsContact C-CD 3.45Å; T309-P311 VanDerWaalsContact C-N 3.33Å; T309-P311 VanDerWaalsContact O-N 3.17Å; T309-P311 WeakPolarHBondContact OG1-CD 3.34Å
312	T	86.8	Confident	87.1	Confident	68 Å²	68	58.7 Å²	58.7	42%	0.417	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-9.5	-177.1	56.8	0	0	0	0	113.2	T309 A310 Q318	T309-T312 PolarHBondContact N-OG1 3.03Å; T309-T312 CarbonylContact O-C 3.57Å; T309-T312 PolarHBondContact O-N 3.32Å; T309-T312 PolarHBondContact O-OG1 3.21Å; T309-T312 PolarHBondContact OG1-OG1 2.86Å; A310-T312 VanDerWaalsContact C-N 3.31Å; A310-T312 PolarHBondContact O-N 2.97Å; T312-Q318 PolarHBondContact O-NE2 3.33Å; T312-Q318 PolarHBondContact O-OE1 3.14Å
313	F	87.9	Confident	86.7	Confident	49 Å²	49	60.7 Å²	60.7	22%	0.215	33%	0.327	C	S	.	.			trans	-78.6	127.6	-179.1	-177	-107.6	0	0	0	111.2	F279 I308 T309 N315 L316 I319	F279-F313 HydrophobicContact CB-CB 4.24Å; F279-F313 HydrophobicContact CB-CD1 4.22Å; F279-F313 HydrophobicContact CB-CG 4.35Å; F279-F313 HydrophobicContact CD2-CB 3.74Å; F279-F313 AromaticContact CD2-CD1 3.68Å; F279-F313 HydrophobicContact CD2-CD1 3.68Å; F279-F313 AromaticContact CD2-CD2 3.53Å; F279-F313 HydrophobicContact CD2-CD2 3.53Å; F279-F313 HydrophobicContact CD2-CE1 4.11Å; F279-F313 AromaticContact CD2-CE2 3.98Å; F279-F313 HydrophobicContact CD2-CE2 3.98Å; F279-F313 AromaticContact CD2-CG 3.34Å; F279-F313 HydrophobicContact CD2-CG 3.34Å; F279-F313 HydrophobicContact CD2-CZ 4.25Å; F279-F313 HydrophobicContact CE2-CB 4.27Å; F279-F313 AromaticContact CE2-CD2 3.54Å; F279-F313 HydrophobicContact CE2-CD2 3.54Å; F279-F313 AromaticContact CE2-CE2 3.93Å; F279-F313 HydrophobicContact CE2-CE2 3.93Å; F279-F313 AromaticContact CE2-CG 3.86Å; F279-F313 HydrophobicContact CE2-CG 3.86Å; F279-F313 HydrophobicContact CG-CB 4.05Å; F279-F313 HydrophobicContact CG-CD1 4.35Å; F279-F313 HydrophobicContact CG-CG 4.09Å; I308-F313 HydrophobicContact CG2-CB 4.05Å; I308-F313 HydrophobicContact CG2-CD2 3.8Å; I308-F313 HydrophobicContact CG2-CG 4.41Å; T309-F313 WeakPolarHBondContact O-CB 3.26Å; T309-F313 PolarHBondContact O-N 3.4Å; F313-N315 WeakPolarHBondContact CE2-O 3.26Å; F313-N315 VanDerWaalsContact CZ-C 3.46Å; F313-L316 HydrophobicContact CZ-CD2 4.01Å; F313-L316 HydrophobicContact CZ-CG 4.42Å; F313-I319 HydrophobicContact CE2-CD1 4.05Å; F313-I319 HydrophobicContact CE2-CG1 4.16Å
314	T	81.9	Confident	86	Confident	110 Å²	110	65.8 Å²	65.8	68%	0.675	35%	0.351	S	S	*	.			trans	-116.5	-42.1	-179.6	52.2	0	0	0	0	112.8	Q318	T314-Q318 PolarHBondContact OG1-OE1 3.17Å; T314-Q318 VanDerWaalsContact OG1-OE1 3.1Å
315	N	78.5	Confident	85.4	Confident	76 Å²	76	70.4 Å²	70.4	41%	0.406	37%	0.372	S	S	.	.			trans	-164.9	168.1	176.6	56.3	61.4	0	0	0	110.8	F313 N317 Q318	F313-N315 WeakPolarHBondContact CE2-O 3.26Å; F313-N315 VanDerWaalsContact CZ-C 3.46Å; N315-N317 VanDerWaalsContact C-N 3.26Å; N315-N317 PolarHBondContact O-N 2.79Å; N315-N317 VanDerWaalsContact OD1-CB 3.32Å; N315-N317 WeakPolarHBondContact OD1-CB 3.31Å; N315-N317 PolarHBondContact OD1-N 2.99Å; N315-Q318 VanDerWaalsContact O-CB 3.22Å; N315-Q318 WeakPolarHBondContact O-CB 3.15Å; N315-Q318 PolarHBondContact O-N 3.29Å; N315-Q318 VanDerWaalsContact O-N 3.1Å; N315-Q318 PolarHBondContact OD1-N 3.42Å
316	L	81.6	Confident	85	Confident	117 Å²	117	72 Å²	72	61%	0.613	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.8	-177.2	-67.6	173.9	0	0	0	113.9	F313 Q318 I319 T320	F313-L316 HydrophobicContact CZ-CD2 4.01Å; F313-L316 HydrophobicContact CZ-CG 4.42Å; L316-Q318 PolarHBondContact O-N 3.47Å; L316-Q318 VanDerWaalsContact O-N 3.1Å; L316-I319 HydrophobicContact CD2-CD1 4.3Å; L316-I319 WeakPolarHBondContact O-CB 3.41Å; L316-I319 PolarHBondContact O-N 2.87Å; L316-T320 PolarHBondContact O-N 3.5Å
317	N	77.9	Confident	84.3	Confident	99 Å²	99	76.8 Å²	76.8	53%	0.529	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-23.2	177	-71	-31.7	0	0	0	112.6	N315 I319 T320 R321	N315-N317 VanDerWaalsContact C-N 3.26Å; N315-N317 PolarHBondContact O-N 2.79Å; N315-N317 VanDerWaalsContact OD1-CB 3.32Å; N315-N317 WeakPolarHBondContact OD1-CB 3.31Å; N315-N317 PolarHBondContact OD1-N 2.99Å; N317-I319 VanDerWaalsContact C-N 3.34Å; N317-T320 PolarHBondContact O-N 2.93Å; N317-R321 WeakPolarHBondContact O-CB 3.48Å; N317-R321 VanDerWaalsContact O-CG 3.32Å; N317-R321 WeakPolarHBondContact O-CG 3.36Å; N317-R321 PolarHBondContact O-N 3.24Å
318	Q	83.2	Confident	83.6	Confident	48 Å²	48	76.1 Å²	76.1	22%	0.224	40%	0.4	C	S	.	.	H	α-helix	trans	-64	-38.5	174.5	-166.9	176.8	-3.4	0	0	112.2	I308 T312 T314 N315 L316 F322	I308-Q318 HydrophobicContact CD1-CB 4.43Å; I308-Q318 HydrophobicContact CD1-CG 3.86Å; I308-Q318 HydrophobicContact CG1-CG 4.26Å; T312-Q318 PolarHBondContact O-NE2 3.33Å; T312-Q318 PolarHBondContact O-OE1 3.14Å; T314-Q318 PolarHBondContact OG1-OE1 3.17Å; T314-Q318 VanDerWaalsContact OG1-OE1 3.1Å; N315-Q318 VanDerWaalsContact O-CB 3.22Å; N315-Q318 WeakPolarHBondContact O-CB 3.15Å; N315-Q318 PolarHBondContact O-N 3.29Å; N315-Q318 VanDerWaalsContact O-N 3.1Å; N315-Q318 PolarHBondContact OD1-N 3.42Å; L316-Q318 PolarHBondContact O-N 3.47Å; L316-Q318 VanDerWaalsContact O-N 3.1Å; Q318-F322 WeakPolarHBondContact O-CB 3.43Å; Q318-F322 PolarHBondContact O-N 3.08Å
319	I	87.6	Confident	83.2	Confident	24 Å²	24	78.5 Å²	78.5	12%	0.123	42%	0.417	C	S	.	.	H	α-helix	trans	-66.9	-47	176	-61.7	174.8	0	0	0	109.5	F279 L302 F305 I308 F313 L316 N317 R321 F322 I323	F279-I319 HydrophobicContact CE2-CD1 4.27Å; L302-I319 HydrophobicContact CD2-CD1 3.97Å; F305-I319 HydrophobicContact CD1-CG2 4.05Å; F305-I319 HydrophobicContact CD2-CG2 4.28Å; F305-I319 HydrophobicContact CE1-CG2 3.83Å; F305-I319 HydrophobicContact CE2-CG2 4.09Å; F305-I319 HydrophobicContact CG-CG2 4.29Å; F305-I319 HydrophobicContact CZ-CG2 3.87Å; I308-I319 HydrophobicContact CD1-CG1 4.1Å; F313-I319 HydrophobicContact CE2-CD1 4.05Å; F313-I319 HydrophobicContact CE2-CG1 4.16Å; L316-I319 HydrophobicContact CD2-CD1 4.3Å; L316-I319 WeakPolarHBondContact O-CB 3.41Å; L316-I319 PolarHBondContact O-N 2.87Å; N317-I319 VanDerWaalsContact C-N 3.34Å; I319-R321 PolarHBondContact O-N 2.95Å; I319-F322 PolarHBondContact O-N 2.79Å; I319-F322 VanDerWaalsContact O-N 3.13Å; I319-I323 HydrophobicContact CG2-CD1 4Å; I319-I323 WeakPolarHBondContact O-CG1 3.47Å; I319-I323 PolarHBondContact O-N 2.89Å
320	T	81.6	Confident	82.9	Confident	71 Å²	71	82.6 Å²	82.6	44%	0.436	44%	0.435	S	S	.	.	H	α-helix	trans	-55.5	-50.6	176.8	-50.5	0	0	0	0	111.1	L316 N317 F322 I323 E324	L316-T320 PolarHBondContact O-N 3.5Å; N317-T320 PolarHBondContact O-N 2.93Å; T320-F322 VanDerWaalsContact C-N 3.32Å; T320-F322 PolarHBondContact O-N 3.23Å; T320-I323 PolarHBondContact O-N 3.13Å; T320-E324 WeakPolarHBondContact O-CG 3.36Å; T320-E324 PolarHBondContact O-N 3.33Å
321	R	83.6	Confident	83.2	Confident	158 Å²	158	81.3 Å²	81.3	60%	0.596	42%	0.424	S	S	*	.	H	α-helix	trans	-61.1	-38.8	176.9	-73.8	176.1	-177.8	167.4	1.9	112.5	N317 I319 E324 Q325	N317-R321 WeakPolarHBondContact O-CB 3.48Å; N317-R321 VanDerWaalsContact O-CG 3.32Å; N317-R321 WeakPolarHBondContact O-CG 3.36Å; N317-R321 PolarHBondContact O-N 3.24Å; I319-R321 PolarHBondContact O-N 2.95Å; R321-E324 PolarHBondContact O-N 3.41Å; R321-Q325 WeakPolarHBondContact O-CB 3.4Å; R321-Q325 VanDerWaalsContact O-CG 3.27Å; R321-Q325 WeakPolarHBondContact O-CG 3.27Å; R321-Q325 PolarHBondContact O-N 3.14Å
322	F	87.2	Confident	83.4	Confident	28 Å²	28	78.6 Å²	78.6	12%	0.123	41%	0.407	C	S	.	.	H	α-helix	trans	-66.2	-40.9	178.5	-168.9	-84	0	0	0	111.6	F305 D307 I308 Q318 I319 T320 Q325 N326 I331	F305-F322 HydrophobicContact CD1-CD1 4.06Å; F305-F322 HydrophobicContact CE1-CD1 4.01Å; D307-F322 HydrophobicContact CB-CE2 4.13Å; I308-F322 HydrophobicContact CD1-CB 3.81Å; I308-F322 HydrophobicContact CD1-CD2 4.33Å; I308-F322 HydrophobicContact CD1-CG 4.13Å; I308-F322 HydrophobicContact CG1-CD2 4.33Å; Q318-F322 WeakPolarHBondContact O-CB 3.43Å; Q318-F322 PolarHBondContact O-N 3.08Å; I319-F322 PolarHBondContact O-N 2.79Å; I319-F322 VanDerWaalsContact O-N 3.13Å; T320-F322 VanDerWaalsContact C-N 3.32Å; T320-F322 PolarHBondContact O-N 3.23Å; F322-Q325 PolarHBondContact O-N 2.96Å; F322-N326 WeakPolarHBondContact CE1-ND2 3.15Å; F322-N326 WeakPolarHBondContact CZ-ND2 3.47Å; F322-N326 WeakPolarHBondContact O-CB 3.18Å; F322-N326 PolarHBondContact O-N 3.32Å; F322-N326 VanDerWaalsContact O-N 3.09Å; F322-N326 PolarHBondContact O-ND2 3.45Å; F322-I331 HydrophobicContact CD1-CD1 4.2Å; F322-I331 HydrophobicContact CD1-CG2 4.22Å; F322-I331 HydrophobicContact CE1-CD1 4.34Å; F322-I331 HydrophobicContact CE1-CG1 4.2Å; F322-I331 HydrophobicContact CE1-CG2 3.79Å
323	I	86.3	Confident	83.8	Confident	51 Å²	51	75.3 Å²	75.3	26%	0.262	39%	0.387	S	S	.	.	H	α-helix	trans	-63.1	-44	173	-63.9	168.8	0	0	0	110.2	F305 I319 T320 Q325 N326 K327 I331 P348	F305-I323 HydrophobicContact CE1-CD1 4.21Å; F305-I323 HydrophobicContact CE1-CG1 3.7Å; F305-I323 HydrophobicContact CZ-CD1 3.75Å; F305-I323 HydrophobicContact CZ-CG1 3.66Å; I319-I323 HydrophobicContact CG2-CD1 4Å; I319-I323 WeakPolarHBondContact O-CG1 3.47Å; I319-I323 PolarHBondContact O-N 2.89Å; T320-I323 PolarHBondContact O-N 3.13Å; I323-Q325 VanDerWaalsContact C-N 3.32Å; I323-Q325 PolarHBondContact O-N 3.03Å; I323-N326 CarbonylContact O-C 3.53Å; I323-N326 PolarHBondContact O-N 3.23Å; I323-K327 PolarHBondContact O-N 3.39Å; I323-K327 VanDerWaalsContact O-N 3.11Å; I323-I331 HydrophobicContact CB-CD1 4.38Å; I323-I331 HydrophobicContact CG1-CD1 4.03Å; I323-P348 HydrophobicContact CG2-CB 4.36Å; I323-P348 HydrophobicContact CG2-CG 4.23Å
324	E	79.4	Confident	84.1	Confident	110 Å²	110	73.4 Å²	73.4	51%	0.514	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-37.8	178.2	-75.2	179.4	162.1	0	0	113.4	T320 R321 N326 K327	T320-E324 WeakPolarHBondContact O-CG 3.36Å; T320-E324 PolarHBondContact O-N 3.33Å; R321-E324 PolarHBondContact O-N 3.41Å; E324-N326 VanDerWaalsContact C-N 3.34Å; E324-K327 WeakPolarHBondContact O-CD 3.25Å; E324-K327 WeakPolarHBondContact O-CE 3.17Å; E324-K327 VanDerWaalsContact O-CG 3.26Å; E324-K327 WeakPolarHBondContact O-CG 3.31Å
325	Q	81.7	Confident	84.7	Confident	152 Å²	152	68.2 Å²	68.2	71%	0.71	35%	0.347	S	S	*	.	H	α-helix	trans	-73.9	-26.8	177.1	-72.9	173.6	0.7	0	0	112.6	R321 F322 I323	R321-Q325 WeakPolarHBondContact O-CB 3.4Å; R321-Q325 VanDerWaalsContact O-CG 3.27Å; R321-Q325 WeakPolarHBondContact O-CG 3.27Å; R321-Q325 PolarHBondContact O-N 3.14Å; F322-Q325 PolarHBondContact O-N 2.96Å; I323-Q325 VanDerWaalsContact C-N 3.32Å; I323-Q325 PolarHBondContact O-N 3.03Å
326	N	84.3	Confident	85.4	Confident	43 Å²	43	67.5 Å²	67.5	23%	0.23	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	29.2	-176.6	-67	-80.1	0	0	0	112.7	F322 I323 E324 T328 S329 I331	F322-N326 WeakPolarHBondContact CE1-ND2 3.15Å; F322-N326 WeakPolarHBondContact CZ-ND2 3.47Å; F322-N326 WeakPolarHBondContact O-CB 3.18Å; F322-N326 PolarHBondContact O-N 3.32Å; F322-N326 VanDerWaalsContact O-N 3.09Å; F322-N326 PolarHBondContact O-ND2 3.45Å; I323-N326 CarbonylContact O-C 3.53Å; I323-N326 PolarHBondContact O-N 3.23Å; E324-N326 VanDerWaalsContact C-N 3.34Å; N326-T328 PolarHBondContact O-N 3Å; N326-S329 PolarHBondContact O-N 3.31Å; N326-I331 HydrophobicContact CB-CD1 3.91Å; N326-I331 HydrophobicContact CB-CG1 3.84Å
327	K	75.7	Confident	85.8	Confident	109 Å²	109	64.3 Å²	64.3	47%	0.474	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-26.7	-178.1	-84.3	175.9	-170.2	-171.1	0	115.2	I323 E324 V350	I323-K327 PolarHBondContact O-N 3.39Å; I323-K327 VanDerWaalsContact O-N 3.11Å; E324-K327 WeakPolarHBondContact O-CD 3.25Å; E324-K327 WeakPolarHBondContact O-CE 3.17Å; E324-K327 VanDerWaalsContact O-CG 3.26Å; E324-K327 WeakPolarHBondContact O-CG 3.31Å; K327-V350 HydrophobicContact CB-CG2 3.97Å; K327-V350 WeakPolarHBondContact O-CG2 3.5Å
328	T	74	Confident	86	Confident	118 Å²	118	67.1 Å²	67.1	72%	0.724	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	3.2	-177.7	58.3	0	0	0	0	113.8	N326 V350	N326-T328 PolarHBondContact O-N 3Å; T328-V350 HydrophobicContact CG2-CG2 4Å
329	S	82.9	Confident	86	Confident	55 Å²	55	67.8 Å²	67.8	39%	0.385	36%	0.356	S	S	.	.	S	Bend	trans	-118.2	142.5	-171.7	-62.7	0	0	0	0	110.3	N326 I331 P348	N326-S329 PolarHBondContact O-N 3.31Å; S329-I331 PolarHBondContact O-N 2.76Å; S329-P348 VanDerWaalsContact O-CD 3.29Å; S329-P348 WeakPolarHBondContact O-CD 3.3Å
330	E	86.8	Confident	86	Confident	107 Å²	107	76 Å²	76	50%	0.5	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-66.4	120.4	173	-170.9	179.7	-105.1	0	0	109.8	K345 L346 L347	E330-K345 HydrophobicContact CG-CB 3.89Å; E330-K345 HydrophobicContact CG-CG 4.21Å; E330-K345 IonicContact OE1-NZ 2.76Å; E330-K345 VanDerWaalsContact OE2-CD 3.29Å; E330-K345 WeakPolarHBondContact OE2-CD 3.46Å; E330-K345 WeakPolarHBondContact OE2-CE 3.5Å; E330-K345 IonicContact OE2-NZ 3.78Å; E330-K345 PolarHBondContact OE2-NZ 3.38Å; E330-L346 CarbonylContact C-O 3.58Å; E330-L346 WeakPolarHBondContact CA-O 3.44Å; E330-L347 HydrophobicContact CB-CD1 4.37Å
331	I	92.1	Very high	86.4	Confident	5 Å²	5	76.3 Å²	76.3	3%	0.026	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116.3	176.9	-57.5	171.9	0	0	0	108.5	F305 F322 I323 N326 S329 T333 L346 P348	F305-I331 HydrophobicContact CD1-CG2 4.1Å; F305-I331 HydrophobicContact CE1-CD1 4.3Å; F305-I331 HydrophobicContact CE1-CG2 3.76Å; F305-I331 HydrophobicContact CZ-CG2 4.18Å; F322-I331 HydrophobicContact CD1-CD1 4.2Å; F322-I331 HydrophobicContact CD1-CG2 4.22Å; F322-I331 HydrophobicContact CE1-CD1 4.34Å; F322-I331 HydrophobicContact CE1-CG1 4.2Å; F322-I331 HydrophobicContact CE1-CG2 3.79Å; I323-I331 HydrophobicContact CB-CD1 4.38Å; I323-I331 HydrophobicContact CG1-CD1 4.03Å; N326-I331 HydrophobicContact CB-CD1 3.91Å; N326-I331 HydrophobicContact CB-CG1 3.84Å; S329-I331 PolarHBondContact O-N 2.76Å; I331-T333 HydrophobicContact CG2-CG2 3.92Å; I331-L346 HydrophobicContact CB-CB 4.39Å; I331-L346 PolarHBondContact N-O 3.5Å; I331-L346 PolarHBondContact O-N 3.31Å; I331-P348 HydrophobicContact CD1-CG 3.65Å; I331-P348 HydrophobicContact CG1-CG 4.22Å
332	S	91.5	Very high	86.8	Confident	52 Å²	52	71 Å²	71	36%	0.364	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	131.5	173	-173.1	0	0	0	0	110.5	G306 C343	G306-S332 WeakPolarHBondContact CA-O 3.45Å; G306-S332 PolarHBondContact N-O 3.03Å; S332-C343 PolarHBondContact OG-SG 3.41Å
333	T	93.6	Very high	87.1	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.1	-180	63.2	0	0	0	0	109.8	F296 Q304 F305 I331 C343 L344 L346	F296-T333 HydrophobicContact CZ-CG2 4.44Å; F296-T333 WeakPolarHBondContact CZ-OG1 3.33Å; Q304-T333 CarbonylContact O-C 3.58Å; Q304-T333 VanDerWaalsContact O-CA 3.24Å; Q304-T333 WeakPolarHBondContact O-CA 3.48Å; Q304-T333 WeakPolarHBondContact O-CB 3.4Å; F305-T333 HydrophobicContact CB-CG2 4.27Å; F305-T333 HydrophobicContact CD1-CG2 4.35Å; F305-T333 HydrophobicContact CD2-CG2 3.34Å; F305-T333 HydrophobicContact CE2-CG2 3.6Å; F305-T333 HydrophobicContact CG-CG2 3.74Å; F305-T333 HydrophobicContact CZ-CG2 4.19Å; I331-T333 HydrophobicContact CG2-CG2 3.92Å; T333-C343 CarbonylContact O-C 3.48Å; T333-C343 VanDerWaalsContact O-CA 3.29Å; T333-C343 WeakPolarHBondContact O-CA 3.41Å; T333-L344 PolarHBondContact N-O 2.94Å; T333-L344 PolarHBondContact O-N 3.23Å; T333-L344 VanDerWaalsContact O-O 3.13Å; T333-L344 WeakPolarHBondContact OG1-CB 3.47Å; T333-L344 PolarHBondContact OG1-O 2.98Å; T333-L346 HydrophobicContact CG2-CD1 3.15Å; T333-L346 WeakPolarHBondContact OG1-CD1 3.19Å
334	V	94.5	Very high	87.5	Confident	9 Å²	9	71.4 Å²	71.4	6%	0.055	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.5	178.5	-175.4	0	0	0	0	108.1	V303 Q304 R341 V342	V303-V334 HydrophobicContact CB-CG1 4.46Å; V303-V334 WeakPolarHBondContact CB-O 3.25Å; V303-V334 PolarHBondContact N-O 3.25Å; Q304-V334 HydrophobicContact CB-CB 4Å; Q304-V334 HydrophobicContact CB-CG2 4.16Å; Q304-V334 PolarHBondContact N-O 3.41Å; Q304-V334 VanDerWaalsContact N-O 3.1Å; Q304-V334 PolarHBondContact O-N 3.32Å; V334-R341 HydrophobicContact CG1-CB 3.99Å; V334-R341 HydrophobicContact CG1-CG 4.44Å; V334-V342 WeakPolarHBondContact CA-O 3.41Å
335	V	95	Very high	88	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	149.3	175.6	-59.3	0	0	0	0	110.2	F296 D300 K301 L302 R341 V342 L344	F296-V335 HydrophobicContact CD1-CG1 4.02Å; F296-V335 HydrophobicContact CE1-CG1 3.57Å; F296-V335 HydrophobicContact CZ-CG1 4.43Å; D300-V335 HydrophobicContact CB-CB 3.91Å; D300-V335 HydrophobicContact CB-CG1 4.02Å; D300-V335 HydrophobicContact CB-CG2 4.25Å; K301-V335 CarbonylContact O-C 3.55Å; K301-V335 VanDerWaalsContact O-CA 3.24Å; K301-V335 WeakPolarHBondContact O-CA 3.43Å; L302-V335 HydrophobicContact CD1-CG1 3.98Å; V335-R341 CarbonylContact O-C 3.45Å; V335-R341 VanDerWaalsContact O-CA 3.26Å; V335-R341 WeakPolarHBondContact O-CA 3.45Å; V335-V342 HydrophobicContact CG2-CB 3.97Å; V335-V342 PolarHBondContact N-O 2.63Å; V335-V342 PolarHBondContact O-N 3.1Å; V335-L344 HydrophobicContact CG1-CD1 4Å; V335-L344 HydrophobicContact CG2-CD1 3.76Å; V335-L344 HydrophobicContact CG2-CG 4.06Å
336	E	92.6	Very high	88.4	Confident	61 Å²	61	65 Å²	65	29%	0.285	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.2	167.9	-174.9	-178	146	0	0	109.3	K301 V303 R340 R341	K301-E336 HydrophobicContact CB-CB 4.18Å; K301-E336 PolarHBondContact N-O 3.32Å; K301-E336 PolarHBondContact O-N 3.39Å; V303-E336 HydrophobicContact CG2-CB 4.07Å; E336-R340 CarbonylContact C-O 3.56Å; E336-R340 WeakPolarHBondContact CA-O 3.22Å; E336-R341 HydrophobicContact CB-CG 4.46Å
337	R	89.5	Confident	88.3	Confident	51 Å²	51	67.6 Å²	67.6	19%	0.192	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.7	179.6	-173.7	-174.7	-59.5	163.6	2.5	108.7	G295 M297 D300 G339 R340 V342	G295-R337 PolarHBondContact O-NH2 3.29Å; M297-R337 PolarHBondContact SD-NH1 3.06Å; D300-R337 WeakPolarHBondContact OD1-CB 3.29Å; D300-R337 IonicContact OD1-CZ 2.73Å; D300-R337 IonicContact OD1-NE 2.84Å; D300-R337 PolarHBondContact OD1-NE 3.29Å; D300-R337 IonicContact OD1-NH2 2.75Å; D300-R337 PolarHBondContact OD1-NH2 3.35Å; D300-R337 IonicContact OD2-CZ 2.71Å; D300-R337 IonicContact OD2-NE 3.64Å; D300-R337 IonicContact OD2-NH2 2.73Å; D300-R337 PolarHBondContact OD2-NH2 3.05Å; R337-G339 PolarHBondContact O-N 3.04Å; R337-G339 VanDerWaalsContact O-N 3.16Å; R337-R340 PolarHBondContact N-O 3.41Å; R337-R340 WeakPolarHBondContact O-CB 3.34Å; R337-R340 PolarHBondContact O-N 3.44Å; R337-R340 VanDerWaalsContact O-O 3.11Å; R337-V342 HydrophobicContact CB-CG2 4.47Å
338	D	83.5	Confident	88.4	Confident	157 Å²	157	62.9 Å²	62.9	84%	0.84	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	38.4	-177.9	-55.9	-42.3	0	0	0	113.7	R340	D338-R340 PolarHBondContact O-N 2.9Å
339	G	82.3	Confident	88	Confident	63 Å²	63	62.7 Å²	62.7	65%	0.649	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	8.7	-177.2	0	0	0	0	0	114.8	R337	R337-G339 PolarHBondContact O-N 3.04Å; R337-G339 VanDerWaalsContact O-N 3.16Å
340	R	87.8	Confident	86.6	Confident	195 Å²	195	63.3 Å²	63.3	74%	0.736	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.2	175.6	-63.2	-179	180	164.8	2.3	110.3	E336 R337 D338	E336-R340 CarbonylContact C-O 3.56Å; E336-R340 WeakPolarHBondContact CA-O 3.22Å; R337-R340 PolarHBondContact N-O 3.41Å; R337-R340 WeakPolarHBondContact O-CB 3.34Å; R337-R340 PolarHBondContact O-N 3.44Å; R337-R340 VanDerWaalsContact O-O 3.11Å; D338-R340 PolarHBondContact O-N 2.9Å
341	R	90	Very high	84.9	Confident	78 Å²	78	67.3 Å²	67.3	29%	0.294	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.5	173.3	-66.9	-173.7	-178.8	-164.9	-4.3	110.6	N273 L276 V334 V335 E336	N273-R341 PolarHBondContact O-NH1 3.02Å; N273-R341 VanDerWaalsContact O-NH1 3.08Å; L276-R341 PolarHBondContact O-NH1 3.45Å; L276-R341 PolarHBondContact O-NH2 3.37Å; V334-R341 HydrophobicContact CG1-CB 3.99Å; V334-R341 HydrophobicContact CG1-CG 4.44Å; V335-R341 CarbonylContact O-C 3.45Å; V335-R341 VanDerWaalsContact O-CA 3.26Å; V335-R341 WeakPolarHBondContact O-CA 3.45Å; E336-R341 HydrophobicContact CB-CG 4.46Å
342	V	91.3	Very high	82.7	Confident	48 Å²	48	73.2 Å²	73.2	29%	0.291	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.6	179.3	-174.4	0	0	0	0	108	V334 V335 R337 L344	V334-V342 WeakPolarHBondContact CA-O 3.41Å; V335-V342 HydrophobicContact CG2-CB 3.97Å; V335-V342 PolarHBondContact N-O 2.63Å; V335-V342 PolarHBondContact O-N 3.1Å; R337-V342 HydrophobicContact CB-CG2 4.47Å; V342-L344 HydrophobicContact CG1-CD2 3.69Å; V342-L344 HydrophobicContact CG1-CG 4.39Å
343	C	93.9	Very high	80.6	Confident	71 Å²	71	77.9 Å²	77.9	48%	0.48	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.2	172.8	-173.7	0	0	0	0	108.9	S332 T333	S332-C343 PolarHBondContact OG-SG 3.41Å; T333-C343 CarbonylContact O-C 3.48Å; T333-C343 VanDerWaalsContact O-CA 3.29Å; T333-C343 WeakPolarHBondContact O-CA 3.41Å
344	L	94.3	Very high	78.5	Confident	15 Å²	15	80.5 Å²	80.5	8%	0.079	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141.9	176.5	-53	178	0	0	0	109.2	F296 T333 V335 V342	F296-L344 HydrophobicContact CB-CD1 4.4Å; F296-L344 HydrophobicContact CD1-CD1 3.74Å; F296-L344 HydrophobicContact CD2-CD1 3.8Å; F296-L344 HydrophobicContact CE1-CD1 3.9Å; F296-L344 HydrophobicContact CE2-CB 4.32Å; F296-L344 HydrophobicContact CE2-CD1 3.9Å; F296-L344 HydrophobicContact CG-CD1 3.74Å; F296-L344 HydrophobicContact CZ-CD1 3.98Å; T333-L344 PolarHBondContact N-O 2.94Å; T333-L344 PolarHBondContact O-N 3.23Å; T333-L344 VanDerWaalsContact O-O 3.13Å; T333-L344 WeakPolarHBondContact OG1-CB 3.47Å; T333-L344 PolarHBondContact OG1-O 2.98Å; V335-L344 HydrophobicContact CG1-CD1 4Å; V335-L344 HydrophobicContact CG2-CD1 3.76Å; V335-L344 HydrophobicContact CG2-CG 4.06Å; V342-L344 HydrophobicContact CG1-CD2 3.69Å; V342-L344 HydrophobicContact CG1-CG 4.39Å
345	K	91.6	Very high	76.6	Confident	120 Å²	120	85 Å²	85	52%	0.522	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113.4	179.3	-73.8	169	164.7	-128	0	108.3	A294 E330	A294-K345 WeakPolarHBondContact CB-O 3.37Å; E330-K345 HydrophobicContact CG-CB 3.89Å; E330-K345 HydrophobicContact CG-CG 4.21Å; E330-K345 IonicContact OE1-NZ 2.76Å; E330-K345 VanDerWaalsContact OE2-CD 3.29Å; E330-K345 WeakPolarHBondContact OE2-CD 3.46Å; E330-K345 WeakPolarHBondContact OE2-CE 3.5Å; E330-K345 IonicContact OE2-NZ 3.78Å; E330-K345 PolarHBondContact OE2-NZ 3.38Å
346	L	88.4	Confident	75.4	Confident	8 Å²	8	92.7 Å²	92.7	4%	0.042	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	128	169.6	-57.7	88.2	0	0	0	107.8	L290 A294 F296 F305 E330 I331 T333 P348	L290-L346 HydrophobicContact CD1-CB 4.43Å; L290-L346 HydrophobicContact CD2-CB 4.28Å; L290-L346 HydrophobicContact CD2-CD2 3.99Å; L290-L346 HydrophobicContact CG-CB 4.3Å; L290-L346 HydrophobicContact CG-CD2 4.04Å; A294-L346 HydrophobicContact CB-CB 4.36Å; A294-L346 HydrophobicContact CB-CG 3.77Å; F296-L346 HydrophobicContact CE2-CD1 3.53Å; F296-L346 HydrophobicContact CE2-CD2 3.76Å; F296-L346 HydrophobicContact CE2-CG 3.7Å; F296-L346 HydrophobicContact CZ-CD1 3.83Å; F296-L346 HydrophobicContact CZ-CD2 4.41Å; F296-L346 HydrophobicContact CZ-CG 4.44Å; F305-L346 HydrophobicContact CE2-CD1 4.03Å; F305-L346 HydrophobicContact CE2-CD2 4.17Å; F305-L346 HydrophobicContact CZ-CD1 4.31Å; F305-L346 HydrophobicContact CZ-CD2 4.21Å; E330-L346 CarbonylContact C-O 3.58Å; E330-L346 WeakPolarHBondContact CA-O 3.44Å; I331-L346 HydrophobicContact CB-CB 4.39Å; I331-L346 PolarHBondContact N-O 3.5Å; I331-L346 PolarHBondContact O-N 3.31Å; T333-L346 HydrophobicContact CG2-CD1 3.15Å; T333-L346 WeakPolarHBondContact OG1-CD1 3.19Å; L346-P348 WeakPolarHBondContact O-CD 3.13Å
347	L	83.1	Confident	74.8	Confident	97 Å²	97	95.2 Å²	95.2	51%	0.508	49%	0.485	S	S	.	.			trans	-105.7	97.6	163.6	-178.4	69.7	0	0	0	106.6	L290 E330 E349	L290-L347 WeakPolarHBondContact CD1-O 3.19Å; E330-L347 HydrophobicContact CB-CD1 4.37Å; L347-E349 PolarHBondContact O-N 3.39Å
348	P	78.7	Confident	74.6	Confident	11 Å²	11	94.8 Å²	94.8	7%	0.071	49%	0.487	C	S	.	.			trans	-52.5	111.4	172.9	-22	33.4	0	0	0	108.1	L290 I323 S329 I331 L346 V350	L290-P348 HydrophobicContact CD2-CB 4.25Å; L290-P348 HydrophobicContact CD2-CG 4.33Å; I323-P348 HydrophobicContact CG2-CB 4.36Å; I323-P348 HydrophobicContact CG2-CG 4.23Å; S329-P348 VanDerWaalsContact O-CD 3.29Å; S329-P348 WeakPolarHBondContact O-CD 3.3Å; I331-P348 HydrophobicContact CD1-CG 3.65Å; I331-P348 HydrophobicContact CG1-CG 4.22Å; L346-P348 WeakPolarHBondContact O-CD 3.13Å; P348-V350 PolarHBondContact O-N 3.21Å; P348-V350 VanDerWaalsContact O-N 3.16Å
349	E	65.4	Low	74.9	Confident	113 Å²	113	96.3 Å²	96.3	53%	0.528	48%	0.482	S	S	.	.			trans	-70.7	111.5	167.2	-75.4	172	-170.1	0	0	104.2	K293 L347 W351	K293-E349 IonicContact NZ-OE1 2.81Å; K293-E349 PolarHBondContact NZ-OE1 3.35Å; K293-E349 IonicContact NZ-OE2 2.91Å; K293-E349 PolarHBondContact NZ-OE2 3.37Å; L347-E349 PolarHBondContact O-N 3.39Å; E349-W351 PolarHBondContact O-N 2.62Å
350	V	52.5	Low	75.1	Confident	68 Å²	68	95 Å²	95	41%	0.412	46%	0.462	S	S	.	.			trans	-61.6	100.1	156.1	-167.6	0	0	0	0	103.4	K327 T328 P348 N352	K327-V350 HydrophobicContact CB-CG2 3.97Å; K327-V350 WeakPolarHBondContact O-CG2 3.5Å; T328-V350 HydrophobicContact CG2-CG2 4Å; P348-V350 PolarHBondContact O-N 3.21Å; P348-V350 VanDerWaalsContact O-N 3.16Å; V350-N352 VanDerWaalsContact C-N 3.32Å; V350-N352 PolarHBondContact O-N 3.23Å
351	W	51.4	Low	75.2	Confident	191 Å²	191	91.4 Å²	91.4	72%	0.723	46%	0.457	S	S	*	.			trans	-42	111.4	154.1	-65.3	76	0	0	0	104	E349 D353 D355	E349-W351 PolarHBondContact O-N 2.62Å; W351-D353 PolarHBondContact O-N 3.22Å; W351-D355 HydrophobicContact CB-CB 4.1Å; W351-D355 HydrophobicContact CD2-CB 4.39Å; W351-D355 HydrophobicContact CE3-CB 3.55Å; W351-D355 HydrophobicContact CZ3-CB 4.37Å
352	N	44.8	Very low	75.2	Confident	130 Å²	130	88.3 Å²	88.3	70%	0.695	45%	0.447	S	S	*	.			trans	-48.6	145.4	-178.6	-72.7	-51.2	0	0	0	106.1	V350 G354 D355	V350-N352 VanDerWaalsContact C-N 3.32Å; V350-N352 PolarHBondContact O-N 3.23Å; N352-G354 CarbonylContact O-C 3.52Å; N352-G354 WeakPolarHBondContact O-CA 3.39Å; N352-G354 PolarHBondContact O-N 3.32Å; N352-D355 PolarHBondContact O-N 2.78Å
353	D	48.4	Very low	75.2	Confident	149 Å²	149	88.2 Å²	88.2	80%	0.797	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-49.6	-9.9	-176.1	-72.8	-41.2	0	0	0	114.6	W351	W351-D353 PolarHBondContact O-N 3.22Å
354	G	48.5	Very low	75	Confident	55 Å²	55	86.1 Å²	86.1	57%	0.567	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-71.4	-17.3	167.7	0	0	0	0	0	118	N352	N352-G354 CarbonylContact O-C 3.52Å; N352-G354 WeakPolarHBondContact O-CA 3.39Å; N352-G354 PolarHBondContact O-N 3.32Å
355	D	56.5	Low	74.6	Confident	104 Å²	104	89.7 Å²	89.7	56%	0.556	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-99.1	24.2	178.8	-50.9	-44.9	0	0	0	113.1	W351 N352	W351-D355 HydrophobicContact CB-CB 4.1Å; W351-D355 HydrophobicContact CD2-CB 4.39Å; W351-D355 HydrophobicContact CE3-CB 3.55Å; W351-D355 HydrophobicContact CZ3-CB 4.37Å; N352-D355 PolarHBondContact O-N 2.78Å
356	R	67.9	Low	74	Confident	161 Å²	161	84.5 Å²	84.5	61%	0.608	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-85.6	126.8	-179.3	179.2	174	166.6	178.1	-10.8	111	D358	R356-D358 IonicContact CZ-OD1 3.49Å; R356-D358 IonicContact CZ-OD2 3.22Å; R356-D358 IonicContact NE-OD1 3.51Å; R356-D358 PolarHBondContact NE-OD1 2.68Å; R356-D358 IonicContact NE-OD2 2.77Å; R356-D358 IonicContact NH2-OD1 2.83Å; R356-D358 PolarHBondContact NH2-OD1 3.35Å; R356-D358 IonicContact NH2-OD2 2.75Å
357	L	81.4	Confident	73.2	Confident	114 Å²	114	86 Å²	86	60%	0.597	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-84.6	116.6	163.5	-66.9	177.5	0	0	0	108.8
358	D	85.8	Confident	72.2	Confident	42 Å²	42	83.7 Å²	83.7	23%	0.225	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-101.2	130.4	169.1	-79.5	-37	0	0	0	109.9	R356 F410 Y417	R356-D358 IonicContact CZ-OD1 3.49Å; R356-D358 IonicContact CZ-OD2 3.22Å; R356-D358 IonicContact NE-OD1 3.51Å; R356-D358 PolarHBondContact NE-OD1 2.68Å; R356-D358 IonicContact NE-OD2 2.77Å; R356-D358 IonicContact NH2-OD1 2.83Å; R356-D358 PolarHBondContact NH2-OD1 3.35Å; R356-D358 IonicContact NH2-OD2 2.75Å; D358-F410 HydrophobicContact CB-CE1 4.2Å; D358-F410 HydrophobicContact CB-CZ 3.96Å; D358-Y417 HydrophobicContact CB-CE1 3.76Å; D358-Y417 VanDerWaalsContact OD2-CE1 3.24Å; D358-Y417 WeakPolarHBondContact OD2-CE1 3.38Å; D358-Y417 PolarHBondContact OD2-OH 2.88Å
359	Y	88	Confident	71	Confident	190 Å²	190	84.2 Å²	84.2	75%	0.745	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-89.5	133.8	-179.4	-61.2	-89.5	0	0	0	110
360	V	88.2	Confident	70	Confident	36 Å²	36	79.3 Å²	79.3	22%	0.218	41%	0.413	C	S	.	.			trans	-114.8	112.8	175	-172.8	0	0	0	0	108	W379 V407 F410	V360-W379 HydrophobicContact CB-CH2 4.39Å; V360-W379 HydrophobicContact CG1-CH2 4.11Å; V360-W379 WeakPolarHBondContact O-CH2 3.16Å; V360-V407 HydrophobicContact CG1-CG2 4.26Å; V360-F410 HydrophobicContact CG1-CB 4.38Å; V360-F410 HydrophobicContact CG1-CD2 4.44Å; V360-F410 HydrophobicContact CG1-CG 4.24Å; V360-F410 HydrophobicContact CG2-CD1 3.39Å; V360-F410 HydrophobicContact CG2-CD2 4.09Å; V360-F410 HydrophobicContact CG2-CE1 3.44Å; V360-F410 VanDerWaalsContact CG2-CE1 3.44Å; V360-F410 HydrophobicContact CG2-CE2 4.12Å; V360-F410 HydrophobicContact CG2-CG 3.74Å; V360-F410 HydrophobicContact CG2-CZ 3.82Å
361	D	88.3	Confident	69.7	Low	118 Å²	118	86.2 Å²	86.2	63%	0.631	43%	0.432	S	S	*	.			trans	-72.2	143	176	-64.4	-35.5	0	0	0	110.7
362	S	90.7	Very high	69.6	Low	13 Å²	13	82.4 Å²	82.4	9%	0.091	42%	0.422	C	S	.	.			trans	-71.7	136.6	169.6	58.9	0	0	0	0	110.2	R377 S378	S362-R377 WeakPolarHBondContact O-CB 3.5Å; S362-R377 WeakPolarHBondContact O-CD 3.33Å; S362-R377 PolarHBondContact O-NH1 2.96Å; S362-R377 VanDerWaalsContact OG-C 3.27Å; S362-R377 WeakPolarHBondContact OG-CB 3.44Å; S362-S378 VanDerWaalsContact CB-C 3.44Å; S362-S378 WeakPolarHBondContact CB-O 3.37Å; S362-S378 PolarHBondContact OG-N 3.43Å; S362-S378 VanDerWaalsContact OG-N 3.14Å
363	P	90.9	Very high	69.8	Low	47 Å²	47	82.4 Å²	82.4	31%	0.305	42%	0.422	S	S	.	.	S	Bend	trans	-82.3	-17.6	-168.7	30	-35.1	0	0	0	114.2	S403	P363-S403 WeakPolarHBondContact CD-OG 3.24Å; P363-S403 WeakPolarHBondContact CG-OG 3.34Å
364	L	91.2	Very high	70.1	Confident	27 Å²	27	82.5 Å²	82.5	14%	0.141	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.1	-175.2	-43.4	172	0	0	0	110	R377 S378 W379 F381	L364-R377 CarbonylContact O-C 3.47Å; L364-R377 WeakPolarHBondContact O-CA 3.33Å; L364-R377 WeakPolarHBondContact O-CB 3.47Å; L364-S378 VanDerWaalsContact CB-O 3.22Å; L364-S378 WeakPolarHBondContact CB-O 3.49Å; L364-S378 WeakPolarHBondContact CG-O 3.46Å; L364-S378 PolarHBondContact N-O 3.44Å; L364-S378 PolarHBondContact O-N 2.85Å; L364-W379 WeakPolarHBondContact CD1-O 3.13Å; L364-F381 HydrophobicContact CB-CE1 4.44Å; L364-F381 HydrophobicContact CB-CE2 3.96Å; L364-F381 HydrophobicContact CB-CZ 3.64Å; L364-F381 HydrophobicContact CD1-CD2 4.38Å; L364-F381 HydrophobicContact CD1-CE2 4.07Å; L364-F381 HydrophobicContact CD1-CZ 4.29Å
365	I	85.1	Confident	71.1	Confident	89 Å²	89	84.8 Å²	84.8	46%	0.456	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.1	170.9	-59.5	168.5	0	0	0	107.6	E375 F381	I365-E375 VanDerWaalsContact CD1-OE2 3.3Å; I365-E375 WeakPolarHBondContact CD1-OE2 3.41Å; I365-E375 HydrophobicContact CG2-CB 4.31Å; I365-F381 WeakPolarHBondContact O-CZ 3.5Å
366	A	79.2	Confident	72.1	Confident	12 Å²	12	81.2 Å²	81.2	10%	0.099	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-69.3	146.2	176.6	0	0	0	0	0	110.6	C368 P376 F381	A366-C368 VanDerWaalsContact CB-SG 3.52Å; A366-C368 PolarHBondContact O-N 3.15Å; A366-P376 HydrophobicContact CB-CB 4.37Å; A366-P376 HydrophobicContact CB-CG 4.42Å; A366-P376 WeakPolarHBondContact CB-O 3.16Å; A366-P376 PolarHBondContact N-O 3.31Å; A366-F381 HydrophobicContact CB-CE1 3.97Å
367	S	70.4	Confident	73	Confident	39 Å²	39	78.7 Å²	78.7	27%	0.273	39%	0.386	S	S	.	.	S	Bend	trans	-76.7	9.1	172.7	64.9	0	0	0	0	113.1	D385 G386 R387	S367-D385 WeakPolarHBondContact CB-O 3.34Å; S367-D385 PolarHBondContact OG-O 3.05Å; S367-G386 PolarHBondContact N-O 2.78Å; S367-G386 VanDerWaalsContact OG-C 3.24Å; S367-G386 PolarHBondContact OG-O 2.99Å; S367-G386 VanDerWaalsContact OG-O 3.05Å; S367-R387 VanDerWaalsContact OG-CG 3.29Å; S367-R387 WeakPolarHBondContact OG-CG 3.45Å
368	C	62.5	Low	73.6	Confident	48 Å²	48	73.5 Å²	73.5	32%	0.324	36%	0.359	S	S	.	.	S	Bend	trans	-86.1	169.9	173.2	68.3	0	0	0	0	109.9	A366 P376	A366-C368 VanDerWaalsContact CB-SG 3.52Å; A366-C368 PolarHBondContact O-N 3.15Å; C368-P376 WeakPolarHBondContact O-CG 3.49Å
369	T	53.1	Low	74	Confident	23 Å²	23	73.1 Å²	73.1	14%	0.141	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-83.1	131.8	-174.7	27.7	0	0	0	0	114.7	K226 A227 E230 E231 R371	K226-T369 VanDerWaalsContact O-CB 3.31Å; K226-T369 WeakPolarHBondContact O-CB 3.1Å; K226-T369 WeakPolarHBondContact O-CG2 3.02Å; K226-T369 PolarHBondContact O-OG1 2.61Å; A227-T369 WeakPolarHBondContact CA-OG1 3.46Å; A227-T369 PolarHBondContact N-OG1 3.24Å; A227-T369 WeakPolarHBondContact O-CG2 3.38Å; E230-T369 VanDerWaalsContact CA-CG2 3.4Å; E230-T369 HydrophobicContact CB-CG2 3.34Å; E230-T369 HydrophobicContact CG-CG2 3.75Å; E231-T369 HydrophobicContact CG-CG2 4.2Å; E231-T369 VanDerWaalsContact N-CG2 3.29Å; T369-R371 PolarHBondContact O-N 2.86Å
370	P	45.9	Very low	74.5	Confident	10 Å²	10	64.2 Å²	64.2	7%	0.065	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-55.5	116.1	168	-19.3	26.7	0	0	0	110.8	E230 L234 E372 E374 P376	E230-P370 WeakPolarHBondContact CB-O 3.45Å; E230-P370 WeakPolarHBondContact CG-O 3.37Å; E230-P370 VanDerWaalsContact OE2-O 3.11Å; L234-P370 HydrophobicContact CD1-CB 3.57Å; L234-P370 HydrophobicContact CD1-CG 3.28Å; L234-P370 HydrophobicContact CD2-CB 4.33Å; L234-P370 HydrophobicContact CG-CB 3.87Å; L234-P370 HydrophobicContact CG-CG 3.84Å; P370-E372 WeakPolarHBondContact CB-O 3.24Å; P370-E372 PolarHBondContact O-N 3.04Å; P370-E374 WeakPolarHBondContact CB-O 3.35Å; P370-P376 HydrophobicContact CG-CG 4.36Å
371	R	46.4	Very low	74.8	Confident	213 Å²	213	63.5 Å²	63.5	80%	0.804	31%	0.314	S	S	*	.	S	Bend	trans	-67.2	-20.2	171.9	-72.4	-177.5	174.5	179.1	-1.4	112.1	K233 T369	K233-R371 PolarHBondContact NZ-O 3.4Å; T369-R371 PolarHBondContact O-N 2.86Å
372	E	47.8	Very low	74.9	Confident	110 Å²	110	58.1 Å²	58.1	51%	0.514	29%	0.285	S	S	.	.	S	Bend	trans	-144.6	-175.9	-173.8	-64.4	-177.3	-173	0	0	110.4	L234 P370 E374	L234-E372 WeakPolarHBondContact CD2-O 3.22Å; P370-E372 WeakPolarHBondContact CB-O 3.24Å; P370-E372 PolarHBondContact O-N 3.04Å; E372-E374 PolarHBondContact O-N 2.97Å
373	N	50.6	Low	74.7	Confident	130 Å²	130	59.4 Å²	59.4	70%	0.695	29%	0.293	S	S	*	.	S	Bend	trans	-59.2	9.1	176.9	-82.9	-39.6	0	0	0	115.6	E237	E237-N373 PolarHBondContact OE2-OD1 3.47Å
374	E	54	Low	74.5	Confident	151 Å²	151	63.9 Å²	63.9	71%	0.706	31%	0.314	S	S	*	.	S	Bend	trans	-115.3	130.7	-177.7	-66.7	-172.6	174.1	0	0	111.5	P370 E372	P370-E374 WeakPolarHBondContact CB-O 3.35Å; E372-E374 PolarHBondContact O-N 2.97Å
375	E	70.1	Confident	74.1	Confident	104 Å²	104	66 Å²	66	49%	0.486	33%	0.326	S	S	.	.			trans	-60.7	124.4	175.4	-66.1	174.9	159.1	0	0	110.2	I365 R377	I365-E375 VanDerWaalsContact CD1-OE2 3.3Å; I365-E375 WeakPolarHBondContact CD1-OE2 3.41Å; I365-E375 HydrophobicContact CG2-CB 4.31Å; E375-R377 PolarHBondContact O-N 2.89Å; E375-R377 IonicContact OE2-NH2 3.65Å
376	P	77.3	Confident	74	Confident	28 Å²	28	62.4 Å²	62.4	18%	0.182	31%	0.311	C	S	.	.			trans	-68.2	127.2	178.6	27.4	-32.3	0	0	0	108.9	A366 C368 P370	A366-P376 HydrophobicContact CB-CB 4.37Å; A366-P376 HydrophobicContact CB-CG 4.42Å; A366-P376 WeakPolarHBondContact CB-O 3.16Å; A366-P376 PolarHBondContact N-O 3.31Å; C368-P376 WeakPolarHBondContact O-CG 3.49Å; P370-P376 HydrophobicContact CG-CG 4.36Å
377	R	86.8	Confident	74.3	Confident	109 Å²	109	64 Å²	64	41%	0.411	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	153	-176.2	-68.1	164.4	172.2	-85.7	-8.9	112.2	S362 L364 E375	S362-R377 WeakPolarHBondContact O-CB 3.5Å; S362-R377 WeakPolarHBondContact O-CD 3.33Å; S362-R377 PolarHBondContact O-NH1 2.96Å; S362-R377 VanDerWaalsContact OG-C 3.27Å; S362-R377 WeakPolarHBondContact OG-CB 3.44Å; L364-R377 CarbonylContact O-C 3.47Å; L364-R377 WeakPolarHBondContact O-CA 3.33Å; L364-R377 WeakPolarHBondContact O-CB 3.47Å; E375-R377 PolarHBondContact O-N 2.89Å; E375-R377 IonicContact OE2-NH2 3.65Å
378	S	92.6	Very high	75.1	Confident	4 Å²	4	64.9 Å²	64.9	3%	0.028	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	150	177.7	-167	0	0	0	0	112.5	S362 L364 W380 Q425	S362-S378 VanDerWaalsContact CB-C 3.44Å; S362-S378 WeakPolarHBondContact CB-O 3.37Å; S362-S378 PolarHBondContact OG-N 3.43Å; S362-S378 VanDerWaalsContact OG-N 3.14Å; L364-S378 VanDerWaalsContact CB-O 3.22Å; L364-S378 WeakPolarHBondContact CB-O 3.49Å; L364-S378 WeakPolarHBondContact CG-O 3.46Å; L364-S378 PolarHBondContact N-O 3.44Å; L364-S378 PolarHBondContact O-N 2.85Å; S378-W380 PolarHBondContact OG-O 3.1Å; S378-Q425 PolarHBondContact OG-NE2 2.75Å; S378-Q425 PolarHBondContact OG-OE1 3.34Å
379	W	96	Very high	76.3	Confident	35 Å²	35	64.6 Å²	64.6	13%	0.133	31%	0.311	C	S	.	.	S	Bend	trans	-75.1	-34.2	174.1	-64.9	104	0	0	0	112.5	V360 L364 S403 V407 Q425 G426 M429	V360-W379 HydrophobicContact CB-CH2 4.39Å; V360-W379 HydrophobicContact CG1-CH2 4.11Å; V360-W379 WeakPolarHBondContact O-CH2 3.16Å; L364-W379 WeakPolarHBondContact CD1-O 3.13Å; W379-S403 WeakPolarHBondContact O-CB 3.39Å; W379-S403 PolarHBondContact O-OG 3.17Å; W379-V407 HydrophobicContact CE3-CG2 4.29Å; W379-V407 HydrophobicContact CH2-CG2 3.99Å; W379-V407 HydrophobicContact CZ3-CG2 3.4Å; W379-V407 VanDerWaalsContact CZ3-CG2 3.4Å; W379-Q425 HydrophobicContact CB-CG 4.36Å; W379-G426 VanDerWaalsContact NE1-CA 3.3Å; W379-M429 HydrophobicContact CB-CB 4.42Å; W379-M429 HydrophobicContact CB-CG 4.41Å; W379-M429 HydrophobicContact CB-SD 4.44Å; W379-M429 HydrophobicContact CD2-CB 4.16Å; W379-M429 HydrophobicContact CD2-CG 3.87Å; W379-M429 HydrophobicContact CE3-CE 4.48Å; W379-M429 HydrophobicContact CE3-CG 4.01Å; W379-M429 HydrophobicContact CG-CB 3.99Å; W379-M429 HydrophobicContact CG-CG 4.08Å
380	W	96.5	Very high	77.9	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.008	31%	0.309	C	S	.	.			trans	-163.6	158.5	171.3	65.9	90.6	0	0	0	109.8	S378 F388 T398 F400 Q425 C428 M429 L432 H462	S378-W380 PolarHBondContact OG-O 3.1Å; W380-F388 AromaticContact CE2-CE2 3.74Å; W380-F388 AromaticContact CZ2-CE2 3.87Å; W380-F388 HydrophobicContact CZ2-CE2 3.87Å; W380-F388 HydrophobicContact CZ2-CZ 4.18Å; W380-F388 AromaticContact NE1-CD2 3.84Å; W380-F388 AromaticContact NE1-CE2 3.44Å; W380-F388 WeakPolarHBondContact O-CD2 3.43Å; W380-T398 WeakPolarHBondContact CA-O 3.36Å; W380-F400 HydrophobicContact CB-CB 3.9Å; W380-F400 HydrophobicContact CD2-CD2 4.37Å; W380-F400 AromaticContact CE3-CD2 3.91Å; W380-F400 HydrophobicContact CE3-CD2 3.91Å; W380-Q425 HydrophobicContact CH2-CG 3.85Å; W380-Q425 HydrophobicContact CZ2-CG 4.14Å; W380-Q425 HydrophobicContact CZ3-CG 4.15Å; W380-Q425 PolarHBondContact O-NE2 3.49Å; W380-C428 HydrophobicContact CH2-CB 3.93Å; W380-C428 VanDerWaalsContact CH2-SG 3.56Å; W380-M429 HydrophobicContact CE3-SD 4.23Å; W380-M429 HydrophobicContact CZ3-CB 3.89Å; W380-M429 HydrophobicContact CZ3-CG 4.41Å; W380-M429 HydrophobicContact CZ3-SD 3.85Å; W380-L432 HydrophobicContact CH2-CD1 4Å; W380-L432 HydrophobicContact CZ3-CD1 4.16Å; W380-H462 AromaticContact CE2-CE1 3.94Å
381	F	95	Very high	79.9	Confident	21 Å²	21	69.3 Å²	69.3	9%	0.092	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-95.2	141.6	174.3	-54.1	-51.9	0	0	0	111.6	L364 I365 A366 G386 R387 C397 T398	L364-F381 HydrophobicContact CB-CE1 4.44Å; L364-F381 HydrophobicContact CB-CE2 3.96Å; L364-F381 HydrophobicContact CB-CZ 3.64Å; L364-F381 HydrophobicContact CD1-CD2 4.38Å; L364-F381 HydrophobicContact CD1-CE2 4.07Å; L364-F381 HydrophobicContact CD1-CZ 4.29Å; I365-F381 WeakPolarHBondContact O-CZ 3.5Å; A366-F381 HydrophobicContact CB-CE1 3.97Å; F381-G386 WeakPolarHBondContact CD1-O 3.42Å; F381-G386 WeakPolarHBondContact CE1-O 3.44Å; F381-R387 CarbonylContact C-O 3.56Å; F381-R387 WeakPolarHBondContact CA-O 3.29Å; F381-R387 VanDerWaalsContact CB-O 3.24Å; F381-R387 WeakPolarHBondContact CB-O 3.44Å; F381-C397 WeakPolarHBondContact O-CA 3.4Å; F381-T398 HydrophobicContact CD2-CG2 4.42Å; F381-T398 PolarHBondContact N-O 2.92Å; F381-T398 PolarHBondContact O-N 3.48Å
382	S	91.1	Very high	81.8	Confident	5 Å²	5	61.6 Å²	61.6	4%	0.035	30%	0.302	C	S	.	.	S	Bend	trans	-96.3	-5.5	173.6	55.9	0	0	0	0	112.9	R387 F388 S389 D392 T394	S382-R387 PolarHBondContact N-O 3.4Å; S382-F388 WeakPolarHBondContact OG-CA 3.46Å; S382-S389 PolarHBondContact OG-N 2.89Å; S382-D392 WeakPolarHBondContact CB-OD2 3.3Å; S382-D392 PolarHBondContact OG-OD2 3.31Å; S382-T394 WeakPolarHBondContact O-CG2 3.17Å; S382-T394 PolarHBondContact O-OG1 3.04Å; S382-T394 VanDerWaalsContact O-OG1 3.08Å
383	T	87.4	Confident	83.9	Confident	40 Å²	40	62.3 Å²	62.3	25%	0.245	31%	0.314	C	S	.	.	S	Bend	trans	-133.7	156.3	-178.6	56.6	0	0	0	0	111.2	D385 G386 R387	T383-D385 VanDerWaalsContact C-N 3.25Å; T383-D385 WeakPolarHBondContact CB-OD1 3.25Å; T383-D385 PolarHBondContact O-N 3.14Å; T383-D385 PolarHBondContact OG1-OD1 3.38Å; T383-G386 PolarHBondContact O-N 3.43Å; T383-R387 PolarHBondContact N-O 3.02Å; T383-R387 WeakPolarHBondContact OG1-CA 3.4Å; T383-R387 WeakPolarHBondContact OG1-CB 3.42Å; T383-R387 PolarHBondContact OG1-N 3.12Å; T383-R387 PolarHBondContact OG1-O 3.27Å; T383-R387 VanDerWaalsContact OG1-O 3.11Å
384	D	85	Confident	85.8	Confident	141 Å²	141	57.3 Å²	57.3	75%	0.754	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.9	-178.6	-69	-43.1	0	0	0	113.4	G386 I396	D384-G386 PolarHBondContact O-N 3.45Å; D384-I396 WeakPolarHBondContact OD1-CD1 3.43Å
385	D	83.1	Confident	87.6	Confident	72 Å²	72	55.7 Å²	55.7	39%	0.385	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	4.4	178.9	69.8	-19.7	0	0	0	113.3	S367 T383 R387	S367-D385 WeakPolarHBondContact CB-O 3.34Å; S367-D385 PolarHBondContact OG-O 3.05Å; T383-D385 VanDerWaalsContact C-N 3.25Å; T383-D385 WeakPolarHBondContact CB-OD1 3.25Å; T383-D385 PolarHBondContact O-N 3.14Å; T383-D385 PolarHBondContact OG1-OD1 3.38Å; D385-R387 WeakPolarHBondContact OD2-CD 3.48Å; D385-R387 IonicContact OD2-CZ 3.64Å; D385-R387 VanDerWaalsContact OD2-CZ 3.28Å; D385-R387 IonicContact OD2-NE 3.89Å; D385-R387 PolarHBondContact OD2-NE 3.41Å; D385-R387 IonicContact OD2-NH1 2.65Å; D385-R387 PolarHBondContact OD2-NH1 2.76Å
386	G	83.9	Confident	88.6	Confident	14 Å²	14	52.6 Å²	52.6	14%	0.144	27%	0.271	C	S	.	.	S	Bend	trans	84.6	30.7	177.3	0	0	0	0	0	114.3	S367 F381 T383 D384	S367-G386 PolarHBondContact N-O 2.78Å; S367-G386 VanDerWaalsContact OG-C 3.24Å; S367-G386 PolarHBondContact OG-O 2.99Å; S367-G386 VanDerWaalsContact OG-O 3.05Å; F381-G386 WeakPolarHBondContact CD1-O 3.42Å; F381-G386 WeakPolarHBondContact CE1-O 3.44Å; T383-G386 PolarHBondContact O-N 3.43Å; D384-G386 PolarHBondContact O-N 3.45Å
387	R	85.5	Confident	89.3	Confident	45 Å²	45	52.3 Å²	52.3	17%	0.17	27%	0.269	C	S	.	.			trans	-119.2	166.9	178.8	-59.4	-174	179.5	141.5	-1.3	113.1	D224 S367 F381 S382 T383 D385	D224-R387 VanDerWaalsContact CA-NH2 3.27Å; D224-R387 IonicContact OD1-CZ 3.74Å; D224-R387 IonicContact OD1-NH1 2.71Å; D224-R387 PolarHBondContact OD1-NH1 3Å; D224-R387 IonicContact OD1-NH2 2.76Å; D224-R387 PolarHBondContact OD1-NH2 2.95Å; S367-R387 VanDerWaalsContact OG-CG 3.29Å; S367-R387 WeakPolarHBondContact OG-CG 3.45Å; F381-R387 CarbonylContact C-O 3.56Å; F381-R387 WeakPolarHBondContact CA-O 3.29Å; F381-R387 VanDerWaalsContact CB-O 3.24Å; F381-R387 WeakPolarHBondContact CB-O 3.44Å; S382-R387 PolarHBondContact N-O 3.4Å; T383-R387 PolarHBondContact N-O 3.02Å; T383-R387 WeakPolarHBondContact OG1-CA 3.4Å; T383-R387 WeakPolarHBondContact OG1-CB 3.42Å; T383-R387 PolarHBondContact OG1-N 3.12Å; T383-R387 PolarHBondContact OG1-O 3.27Å; T383-R387 VanDerWaalsContact OG1-O 3.11Å; D385-R387 WeakPolarHBondContact OD2-CD 3.48Å; D385-R387 IonicContact OD2-CZ 3.64Å; D385-R387 VanDerWaalsContact OD2-CZ 3.28Å; D385-R387 IonicContact OD2-NE 3.89Å; D385-R387 PolarHBondContact OD2-NE 3.41Å; D385-R387 IonicContact OD2-NH1 2.65Å; D385-R387 PolarHBondContact OD2-NH1 2.76Å
388	F	87.4	Confident	89.7	Confident	58 Å²	58	50.8 Å²	50.8	25%	0.254	27%	0.272	S	S	.	.			trans	-131.8	137.8	177.9	178.1	-102.8	0	0	0	111.8	W380 S382 Q425 F455	W380-F388 AromaticContact CE2-CE2 3.74Å; W380-F388 AromaticContact CZ2-CE2 3.87Å; W380-F388 HydrophobicContact CZ2-CE2 3.87Å; W380-F388 HydrophobicContact CZ2-CZ 4.18Å; W380-F388 AromaticContact NE1-CD2 3.84Å; W380-F388 AromaticContact NE1-CE2 3.44Å; W380-F388 WeakPolarHBondContact O-CD2 3.43Å; S382-F388 WeakPolarHBondContact OG-CA 3.46Å; F388-Q425 HydrophobicContact CD1-CB 4.35Å; F388-Q425 HydrophobicContact CD1-CG 4.06Å; F388-Q425 VanDerWaalsContact CD1-NE2 3.31Å; F388-Q425 HydrophobicContact CE1-CB 3.86Å; F388-Q425 HydrophobicContact CE1-CG 3.65Å; F388-Q425 HydrophobicContact CE2-CG 4.32Å; F388-Q425 HydrophobicContact CZ-CB 4.4Å; F388-Q425 HydrophobicContact CZ-CG 3.8Å; F388-F455 AromaticContact CE1-CZ 3.83Å; F388-F455 HydrophobicContact CE1-CZ 3.83Å; F388-F455 AromaticContact CZ-CE2 3.83Å; F388-F455 HydrophobicContact CZ-CE2 3.83Å; F388-F455 AromaticContact CZ-CZ 3.56Å; F388-F455 HydrophobicContact CZ-CZ 3.56Å
389	S	86.9	Confident	89.8	Confident	41 Å²	41	51.4 Å²	51.4	29%	0.287	28%	0.279	S	S	.	.			trans	-136.4	134.6	163.5	142.1	0	0	0	0	109.9	S382 R391 D392	S382-S389 PolarHBondContact OG-N 2.89Å; S389-R391 PolarHBondContact O-N 3.04Å; S389-R391 VanDerWaalsContact O-N 3.12Å; S389-R391 PolarHBondContact OG-N 3.18Å; S389-D392 VanDerWaalsContact CB-CG 3.46Å; S389-D392 WeakPolarHBondContact CB-OD1 3.08Å; S389-D392 WeakPolarHBondContact CB-OD2 3.46Å; S389-D392 PolarHBondContact O-N 3.15Å; S389-D392 VanDerWaalsContact OG-CG 3.3Å; S389-D392 PolarHBondContact OG-OD1 3.18Å
390	S	86.7	Confident	89.8	Confident	13 Å²	13	50.5 Å²	50.5	9%	0.091	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.8	177.7	57.4	0	0	0	0	113.6	F455 I485	S390-F455 VanDerWaalsContact CB-CZ 3.45Å; S390-I485 WeakPolarHBondContact OG-CD1 3.46Å
391	R	87.1	Confident	89.7	Confident	120 Å²	120	56 Å²	56	45%	0.453	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-14.6	-175.3	-61.4	-177.7	-175.7	-174.3	1.1	113.1	S389 V393 R458 A483 V484	S389-R391 PolarHBondContact O-N 3.04Å; S389-R391 VanDerWaalsContact O-N 3.12Å; S389-R391 PolarHBondContact OG-N 3.18Å; R391-V393 PolarHBondContact O-N 3.24Å; R391-R458 PolarHBondContact O-NH1 3.41Å; R391-A483 PolarHBondContact NH2-O 3.03Å; R391-V484 PolarHBondContact NH2-O 2.94Å
392	D	87.8	Confident	89.6	Confident	51 Å²	51	58.1 Å²	58.1	27%	0.273	32%	0.323	S	S	.	.			trans	-69.5	116.8	-171.7	-64.2	-4.4	0	0	0	110.6	S382 S389 T394 R458	S382-D392 WeakPolarHBondContact CB-OD2 3.3Å; S382-D392 PolarHBondContact OG-OD2 3.31Å; S389-D392 VanDerWaalsContact CB-CG 3.46Å; S389-D392 WeakPolarHBondContact CB-OD1 3.08Å; S389-D392 WeakPolarHBondContact CB-OD2 3.46Å; S389-D392 PolarHBondContact O-N 3.15Å; S389-D392 VanDerWaalsContact OG-CG 3.3Å; S389-D392 PolarHBondContact OG-OD1 3.18Å; D392-T394 HydrophobicContact CB-CG2 4.41Å; D392-R458 WeakPolarHBondContact O-CB 3.46Å
393	V	90.5	Very high	89.9	Confident	125 Å²	125	57.9 Å²	57.9	76%	0.758	32%	0.321	S	S	*	.			trans	-85	113.2	164.9	-177.2	0	0	0	0	106.7	R391 R458	R391-V393 PolarHBondContact O-N 3.24Å; V393-R458 HydrophobicContact CG2-CB 4.26Å
394	T	92.1	Very high	90.2	Very high	25 Å²	25	57.4 Å²	57.4	15%	0.153	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-150.6	160.6	-167.4	-174.9	0	0	0	0	111.4	S382 D392 I396 R458 S459 S460	S382-T394 WeakPolarHBondContact O-CG2 3.17Å; S382-T394 PolarHBondContact O-OG1 3.04Å; S382-T394 VanDerWaalsContact O-OG1 3.08Å; D392-T394 HydrophobicContact CB-CG2 4.41Å; T394-I396 WeakPolarHBondContact CG2-O 3.15Å; T394-I396 WeakPolarHBondContact OG1-CB 3.2Å; T394-I396 PolarHBondContact OG1-N 3.48Å; T394-R458 PolarHBondContact N-O 3.49Å; T394-S459 CarbonylContact O-C 3.51Å; T394-S459 WeakPolarHBondContact O-CA 3.34Å; T394-S460 PolarHBondContact O-N 2.91Å
395	D	91.4	Very high	90.6	Very high	116 Å²	116	57.4 Å²	57.4	62%	0.62	31%	0.313	S	S	*	.	S	Bend	trans	-94.6	-6.1	166.7	-68.5	-22.5	0	0	0	112.3	S460 K461	D395-S460 WeakPolarHBondContact CA-OG 3.12Å; D395-S460 VanDerWaalsContact CG-OG 3.3Å; D395-S460 WeakPolarHBondContact OD1-CB 3.12Å; D395-S460 PolarHBondContact OD1-OG 2.95Å; D395-K461 WeakPolarHBondContact O-CE 3.31Å
396	I	90.2	Very high	91	Very high	40 Å²	40	56.5 Å²	56.5	21%	0.205	31%	0.312	C	S	.	.			trans	-82.2	137.6	-177.2	-57.5	166.5	0	0	0	109.3	D384 T394 S459	D384-I396 WeakPolarHBondContact OD1-CD1 3.43Å; T394-I396 WeakPolarHBondContact CG2-O 3.15Å; T394-I396 WeakPolarHBondContact OG1-CB 3.2Å; T394-I396 PolarHBondContact OG1-N 3.48Å; I396-S459 PolarHBondContact O-OG 3.38Å
397	C	93.4	Very high	91.5	Very high	21 Å²	21	56 Å²	56	14%	0.142	31%	0.306	C	S	.	.			trans	-154	43.6	178.5	-159.8	0	0	0	0	110.3	F381 G399 F400 K461 H462	F381-C397 WeakPolarHBondContact O-CA 3.4Å; C397-G399 PolarHBondContact O-N 3.25Å; C397-F400 PolarHBondContact O-N 3.31Å; C397-F400 WeakPolarHBondContact SG-CB 3.19Å; C397-K461 HydrophobicContact CB-CB 3.95Å; C397-K461 HydrophobicContact CB-CG 3.82Å; C397-H462 PolarHBondContact SG-CE1 3.36Å; C397-H462 PolarHBondContact SG-NE2 3.43Å
398	T	93.9	Very high	91.7	Very high	77 Å²	77	55.5 Å²	55.5	47%	0.472	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-63.7	126.7	-169.6	-57.8	0	0	0	0	110.3	W380 F381	W380-T398 WeakPolarHBondContact CA-O 3.36Å; F381-T398 HydrophobicContact CD2-CG2 4.42Å; F381-T398 PolarHBondContact N-O 2.92Å; F381-T398 PolarHBondContact O-N 3.48Å
399	G	94.8	Very high	91.8	Very high	18 Å²	18	54.1 Å²	54.1	19%	0.186	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-1.5	177.5	0	0	0	0	0	116	C397 D401 S402 S403	C397-G399 PolarHBondContact O-N 3.25Å; G399-D401 PolarHBondContact O-N 2.82Å; G399-S402 PolarHBondContact O-N 2.91Å; G399-S403 PolarHBondContact O-N 3.16Å; G399-S403 PolarHBondContact O-OG 3.05Å
400	F	96.3	Very high	92	Very high	16 Å²	16	55.4 Å²	55.4	7%	0.07	31%	0.311	C	S	.	.	H	α-helix	trans	-57.3	-45.8	177.2	175.1	-102.3	0	0	0	113.2	W380 C397 S402 S403 L404 M429 L432 L436 H462	W380-F400 HydrophobicContact CB-CB 3.9Å; W380-F400 HydrophobicContact CD2-CD2 4.37Å; W380-F400 AromaticContact CE3-CD2 3.91Å; W380-F400 HydrophobicContact CE3-CD2 3.91Å; C397-F400 PolarHBondContact O-N 3.31Å; C397-F400 WeakPolarHBondContact SG-CB 3.19Å; F400-S402 PolarHBondContact O-N 3.28Å; F400-S403 WeakPolarHBondContact O-CB 3.15Å; F400-S403 PolarHBondContact O-N 3.22Å; F400-L404 HydrophobicContact CE1-CD2 4.47Å; F400-L404 PolarHBondContact O-N 2.8Å; F400-M429 HydrophobicContact CD2-SD 4.09Å; F400-M429 HydrophobicContact CE2-CE 4.1Å; F400-M429 HydrophobicContact CE2-SD 3.64Å; F400-L432 HydrophobicContact CE2-CB 4.41Å; F400-L432 HydrophobicContact CE2-CD1 3.75Å; F400-L432 HydrophobicContact CZ-CB 4.45Å; F400-L432 HydrophobicContact CZ-CD1 4.33Å; F400-L436 HydrophobicContact CZ-CD1 4.47Å; F400-H462 AromaticContact CD1-NE2 3.7Å; F400-H462 AromaticContact CD2-CE1 3.82Å; F400-H462 AromaticContact CD2-NE2 3.34Å; F400-H462 VanDerWaalsContact CD2-NE2 3.34Å; F400-H462 WeakPolarHBondContact CD2-NE2 3.44Å; F400-H462 AromaticContact CE1-NE2 3.78Å; F400-H462 AromaticContact CE2-NE2 3.43Å; F400-H462 WeakPolarHBondContact CE2-NE2 3.45Å; F400-H462 AromaticContact CG-NE2 3.48Å; F400-H462 WeakPolarHBondContact CG-NE2 3.14Å; F400-H462 AromaticContact CZ-NE2 3.64Å
401	D	94.2	Very high	92.1	Very high	117 Å²	117	55.8 Å²	55.8	63%	0.626	31%	0.311	S	S	*	.	H	α-helix	trans	-62.4	-42.9	-180	-64.5	-33.7	0	0	0	111.4	G399 S403 L404 E405	G399-D401 PolarHBondContact O-N 2.82Å; D401-S403 VanDerWaalsContact C-N 3.32Å; D401-S403 PolarHBondContact O-N 3.04Å; D401-L404 PolarHBondContact O-N 3.29Å; D401-E405 WeakPolarHBondContact O-CG 3.48Å; D401-E405 PolarHBondContact O-N 2.82Å
402	S	93.5	Very high	92	Very high	66 Å²	66	55.4 Å²	55.4	46%	0.462	32%	0.317	S	S	.	.	H	α-helix	trans	-63.6	-37.8	175.8	-55.7	0	0	0	0	112.3	G399 F400 S406	G399-S402 PolarHBondContact O-N 2.91Å; F400-S402 PolarHBondContact O-N 3.28Å; S402-S406 WeakPolarHBondContact O-CB 3.35Å; S402-S406 PolarHBondContact O-N 3.02Å
403	S	96.2	Very high	91.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-45	172.2	-71.6	0	0	0	0	112.2	P363 W379 G399 F400 D401 E405 S406 V407	P363-S403 WeakPolarHBondContact CD-OG 3.24Å; P363-S403 WeakPolarHBondContact CG-OG 3.34Å; W379-S403 WeakPolarHBondContact O-CB 3.39Å; W379-S403 PolarHBondContact O-OG 3.17Å; G399-S403 PolarHBondContact O-N 3.16Å; G399-S403 PolarHBondContact O-OG 3.05Å; F400-S403 WeakPolarHBondContact O-CB 3.15Å; F400-S403 PolarHBondContact O-N 3.22Å; D401-S403 VanDerWaalsContact C-N 3.32Å; D401-S403 PolarHBondContact O-N 3.04Å; S403-E405 PolarHBondContact O-N 3.06Å; S403-S406 PolarHBondContact O-N 3.21Å; S403-V407 WeakPolarHBondContact O-CG2 3.43Å; S403-V407 PolarHBondContact O-N 3.38Å
404	L	94.7	Very high	91.4	Very high	30 Å²	30	55.4 Å²	55.4	16%	0.157	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-45.1	177.3	-168.2	69.7	0	0	0	111.2	F400 D401 S406 V407 V408 M429 I433 L436 F442	F400-L404 HydrophobicContact CE1-CD2 4.47Å; F400-L404 PolarHBondContact O-N 2.8Å; D401-L404 PolarHBondContact O-N 3.29Å; L404-S406 PolarHBondContact O-N 3.29Å; L404-V407 PolarHBondContact O-N 3.11Å; L404-V408 VanDerWaalsContact O-CG2 3.31Å; L404-V408 WeakPolarHBondContact O-CG2 3.39Å; L404-V408 PolarHBondContact O-N 2.73Å; L404-M429 HydrophobicContact CB-CE 4.33Å; L404-M429 HydrophobicContact CD1-CE 3.97Å; L404-I433 HydrophobicContact CD1-CG1 4.06Å; L404-L436 HydrophobicContact CD1-CD1 3.98Å; L404-L436 HydrophobicContact CD2-CD1 3.76Å; L404-F442 HydrophobicContact CD1-CD2 3.78Å; L404-F442 HydrophobicContact CD1-CE2 3.67Å; L404-F442 HydrophobicContact CG-CE2 4.49Å
405	E	92.8	Very high	90.9	Very high	141 Å²	141	58 Å²	58	66%	0.659	34%	0.338	S	S	*	.	H	α-helix	trans	-60.1	-43.2	174.9	-74.7	176.4	-179.9	0	0	112.3	D401 S403 V407 V408 G409	D401-E405 WeakPolarHBondContact O-CG 3.48Å; D401-E405 PolarHBondContact O-N 2.82Å; S403-E405 PolarHBondContact O-N 3.06Å; E405-V407 VanDerWaalsContact C-N 3.33Å; E405-V407 PolarHBondContact O-N 3.07Å; E405-V408 PolarHBondContact O-N 3.09Å; E405-G409 PolarHBondContact O-N 3.23Å
406	S	92.3	Very high	90.5	Very high	52 Å²	52	60.9 Å²	60.9	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-61.5	-42.5	176.6	-172.1	0	0	0	0	111.7	S402 S403 L404 G409 F410	S402-S406 WeakPolarHBondContact O-CB 3.35Å; S402-S406 PolarHBondContact O-N 3.02Å; S403-S406 PolarHBondContact O-N 3.21Å; L404-S406 PolarHBondContact O-N 3.29Å; S406-G409 PolarHBondContact O-N 3.35Å; S406-F410 WeakPolarHBondContact O-CB 3.44Å; S406-F410 PolarHBondContact O-N 2.91Å
407	V	92.9	Very high	90.5	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.024	34%	0.341	C	S	.	.	H	α-helix	trans	-69.8	-43.8	179.6	177.9	0	0	0	0	111.1	V360 W379 S403 L404 E405 G409 F410 F411 M429 I433 F442	V360-V407 HydrophobicContact CG1-CG2 4.26Å; W379-V407 HydrophobicContact CE3-CG2 4.29Å; W379-V407 HydrophobicContact CH2-CG2 3.99Å; W379-V407 HydrophobicContact CZ3-CG2 3.4Å; W379-V407 VanDerWaalsContact CZ3-CG2 3.4Å; S403-V407 WeakPolarHBondContact O-CG2 3.43Å; S403-V407 PolarHBondContact O-N 3.38Å; L404-V407 PolarHBondContact O-N 3.11Å; E405-V407 VanDerWaalsContact C-N 3.33Å; E405-V407 PolarHBondContact O-N 3.07Å; V407-G409 VanDerWaalsContact C-N 3.34Å; V407-G409 PolarHBondContact O-N 2.88Å; V407-F410 WeakPolarHBondContact O-CB 3.43Å; V407-F410 PolarHBondContact O-N 2.75Å; V407-F411 HydrophobicContact CG1-CD2 3.54Å; V407-F411 HydrophobicContact CG1-CE2 3.18Å; V407-F411 HydrophobicContact CG1-CZ 4.22Å; V407-F411 WeakPolarHBondContact O-CD2 3.09Å; V407-F411 PolarHBondContact O-N 2.84Å; V407-M429 HydrophobicContact CG2-CE 4.43Å; V407-I433 HydrophobicContact CG1-CD1 3.87Å; V407-F442 HydrophobicContact CG1-CE2 4.36Å; V407-F442 HydrophobicContact CG1-CZ 3.89Å
408	V	91.6	Very high	90.3	Very high	34 Å²	34	63.1 Å²	63.1	21%	0.206	35%	0.353	C	S	.	.	H	α-helix	trans	-59.2	-47	173.8	171.1	0	0	0	0	110.2	L404 E405 F410 F411 D412 F442	L404-V408 VanDerWaalsContact O-CG2 3.31Å; L404-V408 WeakPolarHBondContact O-CG2 3.39Å; L404-V408 PolarHBondContact O-N 2.73Å; E405-V408 PolarHBondContact O-N 3.09Å; V408-F410 VanDerWaalsContact C-N 3.3Å; V408-F410 PolarHBondContact O-N 3.25Å; V408-F411 PolarHBondContact O-N 3.07Å; V408-D412 WeakPolarHBondContact O-CB 3.36Å; V408-D412 PolarHBondContact O-N 3.1Å; V408-F442 HydrophobicContact CG2-CD2 3.74Å; V408-F442 HydrophobicContact CG2-CE2 3.46Å; V408-F442 VanDerWaalsContact CG2-CE2 3.46Å; V408-F442 HydrophobicContact CG2-CZ 4.03Å
409	G	89.1	Confident	90.3	Very high	29 Å²	29	60.5 Å²	60.5	30%	0.299	34%	0.342	S	S	.	.	H	α-helix	trans	-61.4	-36	177.4	0	0	0	0	0	113.3	E405 S406 V407 N413	E405-G409 PolarHBondContact O-N 3.23Å; S406-G409 PolarHBondContact O-N 3.35Å; V407-G409 VanDerWaalsContact C-N 3.34Å; V407-G409 PolarHBondContact O-N 2.88Å; G409-N413 WeakPolarHBondContact O-CB 3.25Å; G409-N413 PolarHBondContact O-N 2.84Å; G409-N413 PolarHBondContact O-ND2 2.83Å
410	F	90.3	Very high	90.3	Very high	69 Å²	69	60.8 Å²	60.8	30%	0.303	34%	0.339	S	S	.	.	H	α-helix	trans	-63.6	-47.5	173.6	-175.7	-87.2	0	0	0	111.4	D358 V360 S406 V407 V408 G414 Y417	D358-F410 HydrophobicContact CB-CE1 4.2Å; D358-F410 HydrophobicContact CB-CZ 3.96Å; V360-F410 HydrophobicContact CG1-CB 4.38Å; V360-F410 HydrophobicContact CG1-CD2 4.44Å; V360-F410 HydrophobicContact CG1-CG 4.24Å; V360-F410 HydrophobicContact CG2-CD1 3.39Å; V360-F410 HydrophobicContact CG2-CD2 4.09Å; V360-F410 HydrophobicContact CG2-CE1 3.44Å; V360-F410 VanDerWaalsContact CG2-CE1 3.44Å; V360-F410 HydrophobicContact CG2-CE2 4.12Å; V360-F410 HydrophobicContact CG2-CG 3.74Å; V360-F410 HydrophobicContact CG2-CZ 3.82Å; S406-F410 WeakPolarHBondContact O-CB 3.44Å; S406-F410 PolarHBondContact O-N 2.91Å; V407-F410 WeakPolarHBondContact O-CB 3.43Å; V407-F410 PolarHBondContact O-N 2.75Å; V408-F410 VanDerWaalsContact C-N 3.3Å; V408-F410 PolarHBondContact O-N 3.25Å; F410-G414 PolarHBondContact O-N 2.97Å; F410-Y417 HydrophobicContact CE1-CE2 4.16Å; F410-Y417 AromaticContact CE1-CZ 3.88Å; F410-Y417 WeakPolarHBondContact CE1-OH 3.41Å
411	F	88.7	Confident	90.3	Very high	21 Å²	21	63.1 Å²	63.1	9%	0.092	35%	0.352	C	S	.	.	H	α-helix	trans	-74.9	-34.9	-176.2	-68.9	-50.1	0	0	0	114.1	V407 V408 N413 G414 Y417 L420 F442 P444 F446	V407-F411 HydrophobicContact CG1-CD2 3.54Å; V407-F411 HydrophobicContact CG1-CE2 3.18Å; V407-F411 HydrophobicContact CG1-CZ 4.22Å; V407-F411 WeakPolarHBondContact O-CD2 3.09Å; V407-F411 PolarHBondContact O-N 2.84Å; V408-F411 PolarHBondContact O-N 3.07Å; F411-N413 VanDerWaalsContact C-N 3.3Å; F411-N413 PolarHBondContact O-N 2.82Å; F411-G414 PolarHBondContact O-N 3.07Å; F411-Y417 AromaticContact CD1-CD2 3.33Å; F411-Y417 HydrophobicContact CD1-CD2 3.33Å; F411-Y417 AromaticContact CD1-CE2 3.57Å; F411-Y417 HydrophobicContact CD1-CE2 3.57Å; F411-Y417 HydrophobicContact CD1-CG 4.13Å; F411-Y417 AromaticContact CE1-CD2 3.75Å; F411-Y417 HydrophobicContact CE1-CD2 3.75Å; F411-Y417 HydrophobicContact CE1-CE2 4.04Å; F411-Y417 HydrophobicContact CE1-CG 4.12Å; F411-Y417 HydrophobicContact CG-CD2 4.47Å; F411-L420 HydrophobicContact CE2-CD1 4.43Å; F411-L420 HydrophobicContact CZ-CD1 3.91Å; F411-F442 HydrophobicContact CD2-CE1 4.11Å; F411-F442 AromaticContact CD2-CZ 3.91Å; F411-F442 HydrophobicContact CD2-CZ 3.91Å; F411-F442 HydrophobicContact CE2-CZ 4.23Å; F411-P444 HydrophobicContact CB-CB 4.16Å; F411-P444 HydrophobicContact CB-CG 3.76Å; F411-F446 HydrophobicContact CD1-CE1 4.35Å; F411-F446 HydrophobicContact CD1-CZ 4.31Å; F411-F446 AromaticContact CD2-CZ 3.76Å; F411-F446 HydrophobicContact CD2-CZ 3.76Å; F411-F446 HydrophobicContact CE1-CE1 4.14Å; F411-F446 HydrophobicContact CE1-CZ 4.16Å; F411-F446 HydrophobicContact CE2-CE1 4.34Å; F411-F446 HydrophobicContact CE2-CE2 4.41Å; F411-F446 AromaticContact CE2-CZ 3.56Å; F411-F446 HydrophobicContact CE2-CZ 3.56Å; F411-F446 HydrophobicContact CG-CZ 4.14Å; F411-F446 HydrophobicContact CZ-CE1 4.14Å; F411-F446 AromaticContact CZ-CZ 3.8Å; F411-F446 HydrophobicContact CZ-CZ 3.8Å
412	D	86.5	Confident	90.4	Very high	111 Å²	111	57.9 Å²	57.9	59%	0.594	33%	0.325	S	S	*	.	H	α-helix	trans	-68.5	-30.5	176.4	-81.9	-12.6	0	0	0	112.5	V408	V408-D412 WeakPolarHBondContact O-CB 3.36Å; V408-D412 PolarHBondContact O-N 3.1Å
413	N	84.9	Confident	90.5	Very high	146 Å²	146	60.9 Å²	60.9	78%	0.781	33%	0.33	S	S	*	.	H	α-helix	trans	-94.6	-8.3	178.6	-65.9	-56.5	0	0	0	113.5	G409 F411	G409-N413 WeakPolarHBondContact O-CB 3.25Å; G409-N413 PolarHBondContact O-N 2.84Å; G409-N413 PolarHBondContact O-ND2 2.83Å; F411-N413 VanDerWaalsContact C-N 3.3Å; F411-N413 PolarHBondContact O-N 2.82Å
414	G	79.8	Confident	90.4	Very high	30 Å²	30	63.1 Å²	63.1	31%	0.309	35%	0.345	S	S	.	.	S	Bend	trans	-91.1	177.4	-180	0	0	0	0	0	113.7	F410 F411	F410-G414 PolarHBondContact O-N 2.97Å; F411-G414 PolarHBondContact O-N 3.07Å
415	P	80.7	Confident	90.4	Very high	80 Å²	80	62.7 Å²	62.7	52%	0.519	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-60.4	166.9	164.2	29.5	-36.3	0	0	0	111.2	Y417	P415-Y417 WeakPolarHBondContact CD-OH 3.49Å; P415-Y417 HydrophobicContact CG-CE1 4.06Å; P415-Y417 HydrophobicContact CG-CE2 4.11Å; P415-Y417 WeakPolarHBondContact O-CD2 3.41Å; P415-Y417 WeakPolarHBondContact O-CE2 3.21Å; P415-Y417 PolarHBondContact O-N 3.27Å
416	K	84.2	Confident	90.6	Very high	177 Å²	177	56.6 Å²	56.6	77%	0.77	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-70.8	120.4	171.3	-176.7	178.9	178.7	-179.5	0	109.5
417	Y	89.1	Confident	90.9	Very high	35 Å²	35	54.1 Å²	54.1	14%	0.137	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-93.2	138.7	176.3	-62.2	-83.1	0	0	0	111.7	D358 F410 F411 P415	D358-Y417 HydrophobicContact CB-CE1 3.76Å; D358-Y417 VanDerWaalsContact OD2-CE1 3.24Å; D358-Y417 WeakPolarHBondContact OD2-CE1 3.38Å; D358-Y417 PolarHBondContact OD2-OH 2.88Å; F410-Y417 HydrophobicContact CE1-CE2 4.16Å; F410-Y417 AromaticContact CE1-CZ 3.88Å; F410-Y417 WeakPolarHBondContact CE1-OH 3.41Å; F411-Y417 AromaticContact CD1-CD2 3.33Å; F411-Y417 HydrophobicContact CD1-CD2 3.33Å; F411-Y417 AromaticContact CD1-CE2 3.57Å; F411-Y417 HydrophobicContact CD1-CE2 3.57Å; F411-Y417 HydrophobicContact CD1-CG 4.13Å; F411-Y417 AromaticContact CE1-CD2 3.75Å; F411-Y417 HydrophobicContact CE1-CD2 3.75Å; F411-Y417 HydrophobicContact CE1-CE2 4.04Å; F411-Y417 HydrophobicContact CE1-CG 4.12Å; F411-Y417 HydrophobicContact CG-CD2 4.47Å; P415-Y417 WeakPolarHBondContact CD-OH 3.49Å; P415-Y417 HydrophobicContact CG-CE1 4.06Å; P415-Y417 HydrophobicContact CG-CE2 4.11Å; P415-Y417 WeakPolarHBondContact O-CD2 3.41Å; P415-Y417 WeakPolarHBondContact O-CE2 3.21Å; P415-Y417 PolarHBondContact O-N 3.27Å
418	D	90.8	Very high	91.1	Very high	72 Å²	72	53.9 Å²	53.9	39%	0.385	30%	0.299	S	S	.	.	S	Bend	trans	-85.5	-27.4	178.8	-76.2	-62.7	0	0	0	113.5	R447 F448	D418-R447 WeakPolarHBondContact O-CA 3.31Å; D418-R447 VanDerWaalsContact O-CB 3.26Å; D418-R447 WeakPolarHBondContact O-CB 3.24Å; D418-R447 PolarHBondContact O-N 3.23Å; D418-R447 WeakPolarHBondContact OD1-CD 3.1Å; D418-F448 HydrophobicContact CB-CE1 4.18Å
419	G	93.1	Very high	91.4	Very high	23 Å²	23	52.4 Å²	52.4	24%	0.237	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	164.4	-175.2	0	0	0	0	0	112.9	F448	G419-F448 VanDerWaalsContact CA-O 3.26Å; G419-F448 WeakPolarHBondContact CA-O 3.34Å
420	L	95.4	Very high	91.8	Very high	23 Å²	23	51.1 Å²	51.1	12%	0.12	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138	176.4	-175.6	61.6	0	0	0	109.7	F411 A430 I433 F446 F448 V449 I450	F411-L420 HydrophobicContact CE2-CD1 4.43Å; F411-L420 HydrophobicContact CZ-CD1 3.91Å; L420-A430 HydrophobicContact CD2-CB 3.48Å; L420-A430 VanDerWaalsContact CD2-CB 3.48Å; L420-A430 HydrophobicContact CG-CB 3.79Å; L420-I433 HydrophobicContact CD2-CB 4.2Å; L420-I433 HydrophobicContact CD2-CD1 4.21Å; L420-I433 HydrophobicContact CD2-CG2 4.01Å; L420-F446 HydrophobicContact CB-CD2 4.32Å; L420-F446 HydrophobicContact CB-CG 4.29Å; L420-F446 HydrophobicContact CD2-CE2 4.38Å; L420-F448 PolarHBondContact N-O 2.91Å; L420-F448 VanDerWaalsContact N-O 3.11Å; L420-V449 HydrophobicContact CB-CG2 4.22Å; L420-V449 CarbonylContact O-C 3.46Å; L420-V449 VanDerWaalsContact O-CA 3.25Å; L420-V449 WeakPolarHBondContact O-CA 3.42Å; L420-I450 PolarHBondContact O-N 3.11Å
421	L	95.6	Very high	92.1	Very high	66 Å²	66	47.9 Å²	47.9	35%	0.346	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.5	177.6	-177.5	161.1	0	0	0	108.9	F423 I450 F452	L421-F423 HydrophobicContact CD2-CD2 3.8Å; L421-F423 HydrophobicContact CD2-CE2 3.4Å; L421-F423 VanDerWaalsContact CD2-CE2 3.4Å; L421-F423 HydrophobicContact CD2-CZ 4.25Å; L421-I450 WeakPolarHBondContact CA-O 3.21Å; L421-I450 HydrophobicContact CB-CB 4.31Å; L421-I450 HydrophobicContact CD1-CB 4.38Å; L421-I450 HydrophobicContact CD1-CD1 4.41Å; L421-I450 HydrophobicContact CD1-CG2 4.42Å; L421-I450 HydrophobicContact CG-CB 4.1Å; L421-I450 HydrophobicContact CG-CG2 4.33Å; L421-F452 HydrophobicContact CD1-CE2 4.04Å; L421-F452 HydrophobicContact CD2-CD2 4.31Å; L421-F452 HydrophobicContact CD2-CE2 4.27Å; L421-F452 HydrophobicContact CG-CD2 4.4Å; L421-F452 HydrophobicContact CG-CE2 4.09Å
422	G	96.5	Very high	92.5	Very high	6 Å²	6	46.9 Å²	46.9	6%	0.062	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	152.7	176.9	0	0	0	0	0	113.1	A427 I450 F452	G422-A427 WeakPolarHBondContact O-CB 3.4Å; G422-I450 PolarHBondContact N-O 3.45Å; G422-F452 PolarHBondContact O-N 2.84Å
423	F	94.5	Very high	93	Very high	130 Å²	130	41.8 Å²	41.8	57%	0.57	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.7	173	-71.2	-93.4	0	0	0	110.7	L421 Q425 G426 A427 F452	L421-F423 HydrophobicContact CD2-CD2 3.8Å; L421-F423 HydrophobicContact CD2-CE2 3.4Å; L421-F423 VanDerWaalsContact CD2-CE2 3.4Å; L421-F423 HydrophobicContact CD2-CZ 4.25Å; F423-Q425 PolarHBondContact O-N 2.87Å; F423-Q425 VanDerWaalsContact O-N 3.1Å; F423-G426 WeakPolarHBondContact O-CA 3.45Å; F423-G426 PolarHBondContact O-N 3.27Å; F423-A427 PolarHBondContact O-N 2.78Å; F423-F452 CarbonylContact C-O 3.46Å; F423-F452 WeakPolarHBondContact CA-O 3.4Å; F423-F452 HydrophobicContact CB-CB 4.49Å; F423-F452 HydrophobicContact CD1-CB 3.24Å; F423-F452 HydrophobicContact CD1-CD1 4.3Å; F423-F452 HydrophobicContact CD1-CD2 4.06Å; F423-F452 AromaticContact CD1-CG 3.65Å; F423-F452 HydrophobicContact CD1-CG 3.65Å; F423-F452 HydrophobicContact CE1-CB 3.49Å; F423-F452 VanDerWaalsContact CE1-CB 3.49Å; F423-F452 AromaticContact CE1-CD1 3.64Å; F423-F452 HydrophobicContact CE1-CD1 3.64Å; F423-F452 AromaticContact CE1-CD2 3.61Å; F423-F452 HydrophobicContact CE1-CD2 3.61Å; F423-F452 HydrophobicContact CE1-CE1 4.23Å; F423-F452 HydrophobicContact CE1-CE2 4.2Å; F423-F452 AromaticContact CE1-CG 3.3Å; F423-F452 HydrophobicContact CE1-CG 3.3Å; F423-F452 HydrophobicContact CE1-CZ 4.49Å; F423-F452 HydrophobicContact CE2-CD2 4.16Å; F423-F452 HydrophobicContact CG-CB 3.94Å; F423-F452 HydrophobicContact CG-CD2 4.47Å; F423-F452 HydrophobicContact CG-CG 4.42Å; F423-F452 HydrophobicContact CZ-CB 4.37Å; F423-F452 HydrophobicContact CZ-CD1 4.27Å; F423-F452 AromaticContact CZ-CD2 3.66Å; F423-F452 HydrophobicContact CZ-CD2 3.66Å; F423-F452 HydrophobicContact CZ-CE1 4.49Å; F423-F452 AromaticContact CZ-CE2 3.91Å; F423-F452 HydrophobicContact CZ-CE2 3.91Å; F423-F452 AromaticContact CZ-CG 3.86Å; F423-F452 HydrophobicContact CZ-CG 3.86Å; F423-F452 HydrophobicContact CZ-CZ 4.33Å
424	S	94.3	Very high	93.6	Very high	46 Å²	46	34.9 Å²	34.9	32%	0.322	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	-113.9	173.9	-168.3	0	0	0	0	112.6	G426 A427 C428 F452 S453 F455	S424-G426 VanDerWaalsContact C-N 3.29Å; S424-G426 PolarHBondContact O-N 2.84Å; S424-A427 WeakPolarHBondContact O-CB 3.31Å; S424-A427 PolarHBondContact O-N 2.7Å; S424-A427 VanDerWaalsContact O-N 3.12Å; S424-C428 PolarHBondContact O-N 3.07Å; S424-F452 PolarHBondContact N-O 2.92Å; S424-S453 WeakPolarHBondContact CA-O 3.47Å; S424-F455 WeakPolarHBondContact O-CE1 3.15Å
425	Q	95.4	Very high	94.4	Very high	21 Å²	21	33.4 Å²	33.4	10%	0.098	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-36.6	175.1	-167.9	-171.8	42.8	0	0	112.4	S378 W379 W380 F388 F423 A427 C428 M429 F455	S378-Q425 PolarHBondContact OG-NE2 2.75Å; S378-Q425 PolarHBondContact OG-OE1 3.34Å; W379-Q425 HydrophobicContact CB-CG 4.36Å; W380-Q425 HydrophobicContact CH2-CG 3.85Å; W380-Q425 HydrophobicContact CZ2-CG 4.14Å; W380-Q425 HydrophobicContact CZ3-CG 4.15Å; W380-Q425 PolarHBondContact O-NE2 3.49Å; F388-Q425 HydrophobicContact CD1-CB 4.35Å; F388-Q425 HydrophobicContact CD1-CG 4.06Å; F388-Q425 VanDerWaalsContact CD1-NE2 3.31Å; F388-Q425 HydrophobicContact CE1-CB 3.86Å; F388-Q425 HydrophobicContact CE1-CG 3.65Å; F388-Q425 HydrophobicContact CE2-CG 4.32Å; F388-Q425 HydrophobicContact CZ-CB 4.4Å; F388-Q425 HydrophobicContact CZ-CG 3.8Å; F423-Q425 PolarHBondContact O-N 2.87Å; F423-Q425 VanDerWaalsContact O-N 3.1Å; Q425-A427 VanDerWaalsContact C-N 3.31Å; Q425-A427 PolarHBondContact O-N 3.2Å; Q425-C428 CarbonylContact O-C 3.55Å; Q425-C428 WeakPolarHBondContact O-CB 2.86Å; Q425-C428 PolarHBondContact O-N 3.19Å; Q425-M429 PolarHBondContact O-N 3.23Å; Q425-F455 HydrophobicContact CB-CZ 4.48Å
426	G	96.8	Very high	95.1	Very high	13 Å²	13	30.5 Å²	30.5	13%	0.134	16%	0.159	C	C	.	.	H	α-helix	trans	-65.3	-31.9	173.9	0	0	0	0	0	113.2	W379 F423 S424 M429 A430	W379-G426 VanDerWaalsContact NE1-CA 3.3Å; F423-G426 WeakPolarHBondContact O-CA 3.45Å; F423-G426 PolarHBondContact O-N 3.27Å; S424-G426 VanDerWaalsContact C-N 3.29Å; S424-G426 PolarHBondContact O-N 2.84Å; G426-M429 PolarHBondContact O-N 2.75Å; G426-A430 VanDerWaalsContact O-CB 3.28Å; G426-A430 WeakPolarHBondContact O-CB 3.39Å; G426-A430 PolarHBondContact O-N 3.35Å
427	A	97.9	Very high	95.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-69	-40.8	170.8	0	0	0	0	0	111.2	G422 F423 S424 Q425 A430 S431 L451	G422-A427 WeakPolarHBondContact O-CB 3.4Å; F423-A427 PolarHBondContact O-N 2.78Å; S424-A427 WeakPolarHBondContact O-CB 3.31Å; S424-A427 PolarHBondContact O-N 2.7Å; S424-A427 VanDerWaalsContact O-N 3.12Å; Q425-A427 VanDerWaalsContact C-N 3.31Å; Q425-A427 PolarHBondContact O-N 3.2Å; A427-A430 PolarHBondContact O-N 3.12Å; A427-S431 PolarHBondContact O-N 3.29Å; A427-L451 HydrophobicContact CB-CB 4.18Å; A427-L451 HydrophobicContact CB-CD2 3.87Å; A427-L451 VanDerWaalsContact O-CD2 3.31Å; A427-L451 WeakPolarHBondContact O-CD2 3.4Å
428	C	97.5	Very high	96	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.6	-46.7	171	-177.2	0	0	0	0	111	W380 S424 Q425 A430 S431 L432 F455 S457	W380-C428 HydrophobicContact CH2-CB 3.93Å; W380-C428 VanDerWaalsContact CH2-SG 3.56Å; S424-C428 PolarHBondContact O-N 3.07Å; Q425-C428 CarbonylContact O-C 3.55Å; Q425-C428 WeakPolarHBondContact O-CB 2.86Å; Q425-C428 PolarHBondContact O-N 3.19Å; C428-A430 PolarHBondContact O-N 3.47Å; C428-S431 PolarHBondContact O-N 2.83Å; C428-S431 PolarHBondContact O-OG 2.97Å; C428-L432 WeakPolarHBondContact O-CG 3.09Å; C428-L432 PolarHBondContact O-N 2.93Å; C428-L432 VanDerWaalsContact O-N 3.09Å; C428-F455 HydrophobicContact CB-CD2 4.19Å; C428-F455 HydrophobicContact CB-CE1 4.19Å; C428-F455 HydrophobicContact CB-CE2 3.8Å; C428-F455 HydrophobicContact CB-CZ 3.79Å; C428-F455 WeakPolarHBondContact CB-O 3.4Å; C428-F455 PolarHBondContact SG-O 3.13Å; C428-S457 VanDerWaalsContact SG-CB 3.59Å
429	M	97.5	Very high	96.1	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.015	13%	0.133	C	C	.	.	H	α-helix	trans	-57.7	-47.4	175.1	-174.1	59.5	-178.4	0	0	111.5	W379 W380 F400 L404 V407 Q425 G426 S431 L432 I433	W379-M429 HydrophobicContact CB-CB 4.42Å; W379-M429 HydrophobicContact CB-CG 4.41Å; W379-M429 HydrophobicContact CB-SD 4.44Å; W379-M429 HydrophobicContact CD2-CB 4.16Å; W379-M429 HydrophobicContact CD2-CG 3.87Å; W379-M429 HydrophobicContact CE3-CE 4.48Å; W379-M429 HydrophobicContact CE3-CG 4.01Å; W379-M429 HydrophobicContact CG-CB 3.99Å; W379-M429 HydrophobicContact CG-CG 4.08Å; W380-M429 HydrophobicContact CE3-SD 4.23Å; W380-M429 HydrophobicContact CZ3-CB 3.89Å; W380-M429 HydrophobicContact CZ3-CG 4.41Å; W380-M429 HydrophobicContact CZ3-SD 3.85Å; F400-M429 HydrophobicContact CD2-SD 4.09Å; F400-M429 HydrophobicContact CE2-CE 4.1Å; F400-M429 HydrophobicContact CE2-SD 3.64Å; L404-M429 HydrophobicContact CB-CE 4.33Å; L404-M429 HydrophobicContact CD1-CE 3.97Å; V407-M429 HydrophobicContact CG2-CE 4.43Å; Q425-M429 PolarHBondContact O-N 3.23Å; G426-M429 PolarHBondContact O-N 2.75Å; M429-S431 VanDerWaalsContact C-N 3.29Å; M429-S431 PolarHBondContact O-N 3.31Å; M429-L432 WeakPolarHBondContact O-CB 3.47Å; M429-L432 PolarHBondContact O-N 2.68Å; M429-L432 VanDerWaalsContact O-N 3.1Å; M429-I433 HydrophobicContact CE-CD1 3.97Å; M429-I433 HydrophobicContact CE-CG1 4.12Å; M429-I433 HydrophobicContact CG-CD1 3.9Å; M429-I433 WeakPolarHBondContact O-CG1 3.19Å; M429-I433 PolarHBondContact O-N 3.3Å
430	A	97.6	Very high	96.2	Very high	2 Å²	2	26.1 Å²	26.1	2%	0.017	15%	0.154	C	C	.	.	H	α-helix	trans	-58.2	-41.1	178.2	0	0	0	0	0	111.9	L420 G426 A427 C428 I433 T434 V449 L451	L420-A430 HydrophobicContact CD2-CB 3.48Å; L420-A430 VanDerWaalsContact CD2-CB 3.48Å; L420-A430 HydrophobicContact CG-CB 3.79Å; G426-A430 VanDerWaalsContact O-CB 3.28Å; G426-A430 WeakPolarHBondContact O-CB 3.39Å; G426-A430 PolarHBondContact O-N 3.35Å; A427-A430 PolarHBondContact O-N 3.12Å; C428-A430 PolarHBondContact O-N 3.47Å; A430-I433 WeakPolarHBondContact O-CB 3.13Å; A430-I433 PolarHBondContact O-N 3.19Å; A430-T434 PolarHBondContact O-N 2.85Å; A430-T434 PolarHBondContact O-OG1 3.11Å; A430-V449 HydrophobicContact CB-CG2 4.07Å; A430-L451 HydrophobicContact CB-CD2 3.79Å
431	S	97.7	Very high	96.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.5	-36.6	175.5	76.5	0	0	0	0	113.6	A427 C428 M429 T434 S435	A427-S431 PolarHBondContact O-N 3.29Å; C428-S431 PolarHBondContact O-N 2.83Å; C428-S431 PolarHBondContact O-OG 2.97Å; M429-S431 VanDerWaalsContact C-N 3.29Å; M429-S431 PolarHBondContact O-N 3.31Å; S431-T434 PolarHBondContact O-N 3.46Å; S431-S435 PolarHBondContact O-N 3.35Å
432	L	97.5	Very high	95.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.2	-42.4	174.9	-65.6	168.5	0	0	0	110.6	W380 F400 C428 M429 S435 L436 H462 F464 I465	W380-L432 HydrophobicContact CH2-CD1 4Å; W380-L432 HydrophobicContact CZ3-CD1 4.16Å; F400-L432 HydrophobicContact CE2-CB 4.41Å; F400-L432 HydrophobicContact CE2-CD1 3.75Å; F400-L432 HydrophobicContact CZ-CB 4.45Å; F400-L432 HydrophobicContact CZ-CD1 4.33Å; C428-L432 WeakPolarHBondContact O-CG 3.09Å; C428-L432 PolarHBondContact O-N 2.93Å; C428-L432 VanDerWaalsContact O-N 3.09Å; M429-L432 WeakPolarHBondContact O-CB 3.47Å; M429-L432 PolarHBondContact O-N 2.68Å; M429-L432 VanDerWaalsContact O-N 3.1Å; L432-S435 WeakPolarHBondContact O-CB 3.23Å; L432-S435 PolarHBondContact O-N 2.96Å; L432-L436 WeakPolarHBondContact O-CG 3.38Å; L432-L436 PolarHBondContact O-N 3.1Å; L432-H462 HydrophobicContact CD2-CB 3.78Å; L432-F464 HydrophobicContact CB-CZ 4.49Å; L432-F464 HydrophobicContact CD2-CE2 4.11Å; L432-F464 HydrophobicContact CD2-CZ 3.84Å; L432-I465 HydrophobicContact CD2-CB 4.18Å; L432-I465 HydrophobicContact CD2-CD1 3.99Å; L432-I465 HydrophobicContact CD2-CG2 4.13Å
433	I	96.8	Very high	95.5	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-60	-48	173.1	-70.6	164.2	0	0	0	110.5	L404 V407 L420 M429 A430 S435 L436 M437 F442 F446	L404-I433 HydrophobicContact CD1-CG1 4.06Å; V407-I433 HydrophobicContact CG1-CD1 3.87Å; L420-I433 HydrophobicContact CD2-CB 4.2Å; L420-I433 HydrophobicContact CD2-CD1 4.21Å; L420-I433 HydrophobicContact CD2-CG2 4.01Å; M429-I433 HydrophobicContact CE-CD1 3.97Å; M429-I433 HydrophobicContact CE-CG1 4.12Å; M429-I433 HydrophobicContact CG-CD1 3.9Å; M429-I433 WeakPolarHBondContact O-CG1 3.19Å; M429-I433 PolarHBondContact O-N 3.3Å; A430-I433 WeakPolarHBondContact O-CB 3.13Å; A430-I433 PolarHBondContact O-N 3.19Å; I433-S435 VanDerWaalsContact C-N 3.28Å; I433-S435 PolarHBondContact O-N 2.65Å; I433-L436 PolarHBondContact O-N 3.48Å; I433-L436 VanDerWaalsContact O-N 3.15Å; I433-M437 VanDerWaalsContact O-CB 3.24Å; I433-M437 WeakPolarHBondContact O-CB 3.41Å; I433-M437 PolarHBondContact O-N 3.18Å; I433-F442 HydrophobicContact CB-CE2 4.34Å; I433-F442 HydrophobicContact CB-CZ 4.47Å; I433-F442 HydrophobicContact CD1-CE2 4.34Å; I433-F442 HydrophobicContact CD1-CZ 4.34Å; I433-F442 HydrophobicContact CG1-CD2 4.4Å; I433-F442 HydrophobicContact CG1-CE2 3.87Å; I433-F442 HydrophobicContact CG1-CZ 4.21Å; I433-F442 HydrophobicContact CG2-CD1 3.76Å; I433-F442 HydrophobicContact CG2-CD2 3.95Å; I433-F442 HydrophobicContact CG2-CE1 3.52Å; I433-F442 HydrophobicContact CG2-CE2 3.7Å; I433-F442 HydrophobicContact CG2-CG 3.98Å; I433-F442 HydrophobicContact CG2-CZ 3.47Å; I433-F442 VanDerWaalsContact CG2-CZ 3.47Å; I433-F446 HydrophobicContact CG2-CE2 3.99Å
434	T	97	Very high	95.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-57.7	-42.9	177.9	-56.9	0	0	0	0	111.5	A430 S431 M437 E438 M470 T472 F497	A430-T434 PolarHBondContact O-N 2.85Å; A430-T434 PolarHBondContact O-OG1 3.11Å; S431-T434 PolarHBondContact O-N 3.46Å; T434-M437 HydrophobicContact CG2-CE 4.09Å; T434-M437 WeakPolarHBondContact O-CB 3.43Å; T434-M437 PolarHBondContact O-N 3.11Å; T434-E438 PolarHBondContact O-N 3.03Å; T434-M470 HydrophobicContact CG2-SD 4.06Å; T434-T472 HydrophobicContact CG2-CG2 3.94Å; T434-T472 WeakPolarHBondContact CG2-OG1 3.45Å; T434-F497 HydrophobicContact CG2-CE1 3.94Å
435	S	96.5	Very high	95.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.8	-49.7	174.2	-175.9	0	0	0	0	111.8	S431 L432 I433 M437 E438 D439 R468	S431-S435 PolarHBondContact O-N 3.35Å; L432-S435 WeakPolarHBondContact O-CB 3.23Å; L432-S435 PolarHBondContact O-N 2.96Å; I433-S435 VanDerWaalsContact C-N 3.28Å; I433-S435 PolarHBondContact O-N 2.65Å; S435-M437 VanDerWaalsContact C-N 3.29Å; S435-M437 PolarHBondContact O-N 3.09Å; S435-E438 PolarHBondContact O-N 3.03Å; S435-D439 PolarHBondContact O-N 3.21Å; S435-R468 PolarHBondContact O-NH2 3.31Å; S435-R468 PolarHBondContact OG-NE 3.46Å; S435-R468 VanDerWaalsContact OG-NE 3.15Å; S435-R468 PolarHBondContact OG-NH2 3.42Å
436	L	95.9	Very high	95.1	Very high	19 Å²	19	28.4 Å²	28.4	10%	0.099	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-34.2	178.4	-68.5	172.1	0	0	0	112.7	F400 L404 L432 I433 D439 G440 K441 F442 F464	F400-L436 HydrophobicContact CZ-CD1 4.47Å; L404-L436 HydrophobicContact CD1-CD1 3.98Å; L404-L436 HydrophobicContact CD2-CD1 3.76Å; L432-L436 WeakPolarHBondContact O-CG 3.38Å; L432-L436 PolarHBondContact O-N 3.1Å; I433-L436 PolarHBondContact O-N 3.48Å; I433-L436 VanDerWaalsContact O-N 3.15Å; L436-D439 PolarHBondContact O-N 3.43Å; L436-G440 PolarHBondContact O-N 3.34Å; L436-K441 HydrophobicContact CB-CB 4.44Å; L436-K441 HydrophobicContact CD2-CB 4.28Å; L436-K441 HydrophobicContact CD2-CD 4.3Å; L436-K441 WeakPolarHBondContact O-CA 3.4Å; L436-K441 PolarHBondContact O-N 3.28Å; L436-F442 HydrophobicContact CB-CB 4.16Å; L436-F442 PolarHBondContact O-N 3.05Å; L436-F464 HydrophobicContact CD1-CZ 4.39Å; L436-F464 HydrophobicContact CD2-CD2 4.39Å; L436-F464 HydrophobicContact CD2-CE2 3.94Å; L436-F464 HydrophobicContact CD2-CZ 4.13Å; L436-F464 HydrophobicContact CG-CE2 3.95Å; L436-F464 HydrophobicContact CG-CZ 4.17Å
437	M	95.5	Very high	95	Very high	21 Å²	21	36.1 Å²	36.1	10%	0.103	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-46.4	176.5	174.4	-167.6	80.5	0	0	111.9	I433 T434 S435 D439 G440 F442 P444 T445 F446 T472	I433-M437 VanDerWaalsContact O-CB 3.24Å; I433-M437 WeakPolarHBondContact O-CB 3.41Å; I433-M437 PolarHBondContact O-N 3.18Å; T434-M437 HydrophobicContact CG2-CE 4.09Å; T434-M437 WeakPolarHBondContact O-CB 3.43Å; T434-M437 PolarHBondContact O-N 3.11Å; S435-M437 VanDerWaalsContact C-N 3.29Å; S435-M437 PolarHBondContact O-N 3.09Å; M437-D439 PolarHBondContact O-N 2.71Å; M437-G440 WeakPolarHBondContact O-CA 3.34Å; M437-G440 PolarHBondContact O-N 3.24Å; M437-F442 HydrophobicContact CB-CB 4.08Å; M437-F442 HydrophobicContact CB-CD1 4.47Å; M437-P444 WeakPolarHBondContact CG-O 3.25Å; M437-T445 HydrophobicContact CG-CG2 4.38Å; M437-F446 HydrophobicContact SD-CB 4.08Å; M437-F446 HydrophobicContact SD-CD2 3.66Å; M437-F446 HydrophobicContact SD-CG 4.27Å; M437-F446 PolarHBondContact SD-N 3.42Å; M437-T472 HydrophobicContact CE-CG2 4.24Å; M437-T472 VanDerWaalsContact CE-OG1 3.26Å; M437-T472 WeakPolarHBondContact CE-OG1 3.14Å
438	E	95.6	Very high	95	Very high	65 Å²	65	40.1 Å²	40.1	30%	0.304	22%	0.222	S	C	.	.	H	α-helix	trans	-64.8	-26.1	177.6	-72.2	-172.3	-168.4	0	0	112.8	T434 S435 G440 M470 A471 T472	T434-E438 PolarHBondContact O-N 3.03Å; S435-E438 PolarHBondContact O-N 3.03Å; E438-G440 VanDerWaalsContact C-N 3.28Å; E438-M470 VanDerWaalsContact OE2-CA 3.28Å; E438-M470 WeakPolarHBondContact OE2-CA 3.21Å; E438-A471 PolarHBondContact OE1-N 2.79Å; E438-A471 PolarHBondContact OE2-N 3.45Å; E438-A471 VanDerWaalsContact OE2-N 3.08Å; E438-T472 WeakPolarHBondContact OE1-CB 3.46Å; E438-T472 PolarHBondContact OE1-N 2.67Å; E438-T472 PolarHBondContact OE1-OG1 2.71Å
439	D	94.1	Very high	95	Very high	64 Å²	64	40.1 Å²	40.1	34%	0.342	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-7	170.7	-86.6	16.8	0	0	0	114	S435 L436 M437 K441 R468	S435-D439 PolarHBondContact O-N 3.21Å; L436-D439 PolarHBondContact O-N 3.43Å; M437-D439 PolarHBondContact O-N 2.71Å; D439-K441 VanDerWaalsContact C-N 3.27Å; D439-K441 HydrophobicContact CB-CB 4.44Å; D439-K441 HydrophobicContact CB-CD 3.92Å; D439-K441 HydrophobicContact CB-CG 4Å; D439-K441 PolarHBondContact O-N 3.26Å; D439-K441 IonicContact OD2-NZ 2.79Å; D439-K441 PolarHBondContact OD2-NZ 2.82Å; D439-R468 IonicContact OD1-CZ 3.56Å; D439-R468 IonicContact OD1-NH1 3.59Å; D439-R468 PolarHBondContact OD1-NH1 3.1Å; D439-R468 IonicContact OD1-NH2 2.84Å; D439-R468 PolarHBondContact OD1-NH2 2.97Å; D439-R468 IonicContact OD2-NH2 3.54Å
440	G	93.8	Very high	95	Very high	65 Å²	65	41.7 Å²	41.7	67%	0.67	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.2	19.7	-172.3	0	0	0	0	0	114.2	L436 M437 E438	L436-G440 PolarHBondContact O-N 3.34Å; M437-G440 WeakPolarHBondContact O-CA 3.34Å; M437-G440 PolarHBondContact O-N 3.24Å; E438-G440 VanDerWaalsContact C-N 3.28Å
441	K	93.3	Very high	95.1	Very high	138 Å²	138	41.7 Å²	41.7	60%	0.6	23%	0.23	S	C	*	.			trans	-97.5	-5.2	-178.4	-67.1	172.9	-173.6	152.5	0	114.3	L436 D439	L436-K441 HydrophobicContact CB-CB 4.44Å; L436-K441 HydrophobicContact CD2-CB 4.28Å; L436-K441 HydrophobicContact CD2-CD 4.3Å; L436-K441 WeakPolarHBondContact O-CA 3.4Å; L436-K441 PolarHBondContact O-N 3.28Å; D439-K441 VanDerWaalsContact C-N 3.27Å; D439-K441 HydrophobicContact CB-CB 4.44Å; D439-K441 HydrophobicContact CB-CD 3.92Å; D439-K441 HydrophobicContact CB-CG 4Å; D439-K441 PolarHBondContact O-N 3.26Å; D439-K441 IonicContact OD2-NZ 2.79Å; D439-K441 PolarHBondContact OD2-NZ 2.82Å
442	F	91.8	Very high	95	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.035	24%	0.241	C	C	.	.	S	Bend	trans	-98.1	-36.5	-179.9	-172.9	-112.7	0	0	0	113.2	L404 V407 V408 F411 I433 L436 M437 P444 F446	L404-F442 HydrophobicContact CD1-CD2 3.78Å; L404-F442 HydrophobicContact CD1-CE2 3.67Å; L404-F442 HydrophobicContact CG-CE2 4.49Å; V407-F442 HydrophobicContact CG1-CE2 4.36Å; V407-F442 HydrophobicContact CG1-CZ 3.89Å; V408-F442 HydrophobicContact CG2-CD2 3.74Å; V408-F442 HydrophobicContact CG2-CE2 3.46Å; V408-F442 VanDerWaalsContact CG2-CE2 3.46Å; V408-F442 HydrophobicContact CG2-CZ 4.03Å; F411-F442 HydrophobicContact CD2-CE1 4.11Å; F411-F442 AromaticContact CD2-CZ 3.91Å; F411-F442 HydrophobicContact CD2-CZ 3.91Å; F411-F442 HydrophobicContact CE2-CZ 4.23Å; I433-F442 HydrophobicContact CB-CE2 4.34Å; I433-F442 HydrophobicContact CB-CZ 4.47Å; I433-F442 HydrophobicContact CD1-CE2 4.34Å; I433-F442 HydrophobicContact CD1-CZ 4.34Å; I433-F442 HydrophobicContact CG1-CD2 4.4Å; I433-F442 HydrophobicContact CG1-CE2 3.87Å; I433-F442 HydrophobicContact CG1-CZ 4.21Å; I433-F442 HydrophobicContact CG2-CD1 3.76Å; I433-F442 HydrophobicContact CG2-CD2 3.95Å; I433-F442 HydrophobicContact CG2-CE1 3.52Å; I433-F442 HydrophobicContact CG2-CE2 3.7Å; I433-F442 HydrophobicContact CG2-CG 3.98Å; I433-F442 HydrophobicContact CG2-CZ 3.47Å; I433-F442 VanDerWaalsContact CG2-CZ 3.47Å; L436-F442 HydrophobicContact CB-CB 4.16Å; L436-F442 PolarHBondContact O-N 3.05Å; M437-F442 HydrophobicContact CB-CB 4.08Å; M437-F442 HydrophobicContact CB-CD1 4.47Å; F442-P444 VanDerWaalsContact C-CD 3.45Å; F442-P444 HydrophobicContact CD1-CB 4.1Å; F442-P444 HydrophobicContact CD1-CG 4.18Å; F442-P444 WeakPolarHBondContact CD1-O 3.39Å; F442-P444 HydrophobicContact CE1-CB 3.88Å; F442-P444 HydrophobicContact CE1-CG 3.9Å; F442-P444 WeakPolarHBondContact O-CD 3.35Å; F442-F446 HydrophobicContact CD1-CE2 4.25Å; F442-F446 AromaticContact CE1-CE2 3.65Å; F442-F446 HydrophobicContact CE1-CE2 3.65Å; F442-F446 HydrophobicContact CE1-CZ 4.02Å
443	G	88	Confident	94.9	Very high	60 Å²	60	45.6 Å²	45.6	62%	0.619	25%	0.25	S	S	*	.	S	Bend	trans	100.9	-77.2	-176.7	0	0	0	0	0	112.1
444	P	89.2	Confident	94.9	Very high	23 Å²	23	45.6 Å²	45.6	15%	0.149	25%	0.251	C	S	.	.	S	Bend	trans	-60.2	152.5	174.6	-22.9	33.1	0	0	0	112.7	F411 M437 F442 F446	F411-P444 HydrophobicContact CB-CB 4.16Å; F411-P444 HydrophobicContact CB-CG 3.76Å; M437-P444 WeakPolarHBondContact CG-O 3.25Å; F442-P444 VanDerWaalsContact C-CD 3.45Å; F442-P444 HydrophobicContact CD1-CB 4.1Å; F442-P444 HydrophobicContact CD1-CG 4.18Å; F442-P444 WeakPolarHBondContact CD1-O 3.39Å; F442-P444 HydrophobicContact CE1-CB 3.88Å; F442-P444 HydrophobicContact CE1-CG 3.9Å; F442-P444 WeakPolarHBondContact O-CD 3.35Å; P444-F446 HydrophobicContact CB-CZ 4.37Å
445	T	91.8	Very high	94.9	Very high	94 Å²	94	45.7 Å²	45.7	58%	0.577	25%	0.251	S	S	*	.			trans	-127.3	136.1	179.4	61.4	0	0	0	0	111.5	M437	M437-T445 HydrophobicContact CG-CG2 4.38Å
446	F	94.4	Very high	94.9	Very high	17 Å²	17	47 Å²	47	8%	0.075	26%	0.259	C	S	.	.			trans	-114.5	149.4	178	-52.1	-71.9	0	0	0	110.7	F411 L420 I433 M437 F442 P444	F411-F446 HydrophobicContact CD1-CE1 4.35Å; F411-F446 HydrophobicContact CD1-CZ 4.31Å; F411-F446 AromaticContact CD2-CZ 3.76Å; F411-F446 HydrophobicContact CD2-CZ 3.76Å; F411-F446 HydrophobicContact CE1-CE1 4.14Å; F411-F446 HydrophobicContact CE1-CZ 4.16Å; F411-F446 HydrophobicContact CE2-CE1 4.34Å; F411-F446 HydrophobicContact CE2-CE2 4.41Å; F411-F446 AromaticContact CE2-CZ 3.56Å; F411-F446 HydrophobicContact CE2-CZ 3.56Å; F411-F446 HydrophobicContact CG-CZ 4.14Å; F411-F446 HydrophobicContact CZ-CE1 4.14Å; F411-F446 AromaticContact CZ-CZ 3.8Å; F411-F446 HydrophobicContact CZ-CZ 3.8Å; L420-F446 HydrophobicContact CB-CD2 4.32Å; L420-F446 HydrophobicContact CB-CG 4.29Å; L420-F446 HydrophobicContact CD2-CE2 4.38Å; I433-F446 HydrophobicContact CG2-CE2 3.99Å; M437-F446 HydrophobicContact SD-CB 4.08Å; M437-F446 HydrophobicContact SD-CD2 3.66Å; M437-F446 HydrophobicContact SD-CG 4.27Å; M437-F446 PolarHBondContact SD-N 3.42Å; F442-F446 HydrophobicContact CD1-CE2 4.25Å; F442-F446 AromaticContact CE1-CE2 3.65Å; F442-F446 HydrophobicContact CE1-CE2 3.65Å; F442-F446 HydrophobicContact CE1-CZ 4.02Å; P444-F446 HydrophobicContact CB-CZ 4.37Å
447	R	95.6	Very high	94.8	Very high	174 Å²	174	46.3 Å²	46.3	66%	0.657	26%	0.256	S	S	*	.	S	Bend	trans	-87.2	-22.8	179.4	-58.6	172.6	56.9	76.5	2.8	112.8	D418 P473	D418-R447 WeakPolarHBondContact O-CA 3.31Å; D418-R447 VanDerWaalsContact O-CB 3.26Å; D418-R447 WeakPolarHBondContact O-CB 3.24Å; D418-R447 PolarHBondContact O-N 3.23Å; D418-R447 WeakPolarHBondContact OD1-CD 3.1Å; R447-P473 WeakPolarHBondContact O-CD 3.43Å
448	F	97.2	Very high	94.7	Very high	84 Å²	84	49.5 Å²	49.5	37%	0.368	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	165	178.7	62.4	-92.2	0	0	0	111.5	D418 G419 L420 I450 P473	D418-F448 HydrophobicContact CB-CE1 4.18Å; G419-F448 VanDerWaalsContact CA-O 3.26Å; G419-F448 WeakPolarHBondContact CA-O 3.34Å; L420-F448 PolarHBondContact N-O 2.91Å; L420-F448 VanDerWaalsContact N-O 3.11Å; F448-I450 HydrophobicContact CD2-CD1 4.37Å; F448-I450 HydrophobicContact CD2-CG1 4.05Å; F448-I450 HydrophobicContact CE2-CD1 3.99Å; F448-I450 HydrophobicContact CE2-CG1 4.14Å; F448-P473 CarbonylContact C-O 3.57Å; F448-P473 WeakPolarHBondContact CA-O 3.15Å; F448-P473 HydrophobicContact CB-CB 4.35Å; F448-P473 WeakPolarHBondContact CB-O 3.42Å
449	V	98	Very high	94.6	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.2	173.1	67.3	0	0	0	0	111.6	L420 A430 L451 P473 S474 L475 F497	L420-V449 HydrophobicContact CB-CG2 4.22Å; L420-V449 CarbonylContact O-C 3.46Å; L420-V449 VanDerWaalsContact O-CA 3.25Å; L420-V449 WeakPolarHBondContact O-CA 3.42Å; A430-V449 HydrophobicContact CB-CG2 4.07Å; V449-L451 HydrophobicContact CG1-CD1 4.24Å; V449-L451 HydrophobicContact CG1-CG 4.37Å; V449-L451 HydrophobicContact CG2-CD1 4.43Å; V449-L451 HydrophobicContact CG2-CD2 3.57Å; V449-L451 HydrophobicContact CG2-CG 3.91Å; V449-P473 PolarHBondContact N-O 3.43Å; V449-S474 CarbonylContact O-C 3.45Å; V449-S474 VanDerWaalsContact O-CA 3.27Å; V449-S474 WeakPolarHBondContact O-CA 3.34Å; V449-L475 PolarHBondContact O-N 3.28Å; V449-F497 HydrophobicContact CG1-CD1 4.48Å; V449-F497 HydrophobicContact CG1-CE1 3.67Å; V449-F497 HydrophobicContact CG1-CZ 3.99Å
450	I	98.1	Very high	94.6	Very high	36 Å²	36	45 Å²	45	19%	0.185	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.2	176	-54.5	178	0	0	0	108.9	L420 L421 G422 F448 F452 L475	L420-I450 PolarHBondContact O-N 3.11Å; L421-I450 WeakPolarHBondContact CA-O 3.21Å; L421-I450 HydrophobicContact CB-CB 4.31Å; L421-I450 HydrophobicContact CD1-CB 4.38Å; L421-I450 HydrophobicContact CD1-CD1 4.41Å; L421-I450 HydrophobicContact CD1-CG2 4.42Å; L421-I450 HydrophobicContact CG-CB 4.1Å; L421-I450 HydrophobicContact CG-CG2 4.33Å; G422-I450 PolarHBondContact N-O 3.45Å; F448-I450 HydrophobicContact CD2-CD1 4.37Å; F448-I450 HydrophobicContact CD2-CG1 4.05Å; F448-I450 HydrophobicContact CE2-CD1 3.99Å; F448-I450 HydrophobicContact CE2-CG1 4.14Å; I450-F452 HydrophobicContact CG2-CD2 4Å; I450-F452 HydrophobicContact CG2-CE2 3.45Å; I450-F452 VanDerWaalsContact CG2-CE2 3.45Å; I450-F452 HydrophobicContact CG2-CZ 4.14Å; I450-L475 CarbonylContact C-O 3.56Å; I450-L475 WeakPolarHBondContact CA-O 3.45Å; I450-L475 HydrophobicContact CG1-CB 4.3Å; I450-L475 HydrophobicContact CG1-CD2 4.5Å; I450-L475 HydrophobicContact CG2-CB 4.34Å; I450-L475 HydrophobicContact CG2-CD2 4.01Å; I450-L475 HydrophobicContact CG2-CG 4.24Å
451	L	98.2	Very high	94.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	102.8	-167.1	-60	176.1	0	0	0	110.3	A427 A430 V449 L475 H476 V477 L493 F497	A427-L451 HydrophobicContact CB-CB 4.18Å; A427-L451 HydrophobicContact CB-CD2 3.87Å; A427-L451 VanDerWaalsContact O-CD2 3.31Å; A427-L451 WeakPolarHBondContact O-CD2 3.4Å; A430-L451 HydrophobicContact CB-CD2 3.79Å; V449-L451 HydrophobicContact CG1-CD1 4.24Å; V449-L451 HydrophobicContact CG1-CG 4.37Å; V449-L451 HydrophobicContact CG2-CD1 4.43Å; V449-L451 HydrophobicContact CG2-CD2 3.57Å; V449-L451 HydrophobicContact CG2-CG 3.91Å; L451-L475 PolarHBondContact N-O 3.45Å; L451-H476 VanDerWaalsContact CD1-CE1 3.4Å; L451-H476 WeakPolarHBondContact CD1-CE1 3.48Å; L451-H476 WeakPolarHBondContact O-CA 3.25Å; L451-V477 PolarHBondContact O-N 2.95Å; L451-L493 HydrophobicContact CD1-CD2 4.05Å; L451-F497 HydrophobicContact CD1-CE2 3.78Å; L451-F497 HydrophobicContact CD1-CZ 3.87Å
452	F	96.9	Very high	94.7	Very high	57 Å²	57	41.9 Å²	41.9	25%	0.25	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.5	175.3	-68.7	-96.2	0	0	0	110.1	L421 G422 F423 S424 I450 G454 V477	L421-F452 HydrophobicContact CD1-CE2 4.04Å; L421-F452 HydrophobicContact CD2-CD2 4.31Å; L421-F452 HydrophobicContact CD2-CE2 4.27Å; L421-F452 HydrophobicContact CG-CD2 4.4Å; L421-F452 HydrophobicContact CG-CE2 4.09Å; G422-F452 PolarHBondContact O-N 2.84Å; F423-F452 CarbonylContact C-O 3.46Å; F423-F452 WeakPolarHBondContact CA-O 3.4Å; F423-F452 HydrophobicContact CB-CB 4.49Å; F423-F452 HydrophobicContact CD1-CB 3.24Å; F423-F452 HydrophobicContact CD1-CD1 4.3Å; F423-F452 HydrophobicContact CD1-CD2 4.06Å; F423-F452 AromaticContact CD1-CG 3.65Å; F423-F452 HydrophobicContact CD1-CG 3.65Å; F423-F452 HydrophobicContact CE1-CB 3.49Å; F423-F452 VanDerWaalsContact CE1-CB 3.49Å; F423-F452 AromaticContact CE1-CD1 3.64Å; F423-F452 HydrophobicContact CE1-CD1 3.64Å; F423-F452 AromaticContact CE1-CD2 3.61Å; F423-F452 HydrophobicContact CE1-CD2 3.61Å; F423-F452 HydrophobicContact CE1-CE1 4.23Å; F423-F452 HydrophobicContact CE1-CE2 4.2Å; F423-F452 AromaticContact CE1-CG 3.3Å; F423-F452 HydrophobicContact CE1-CG 3.3Å; F423-F452 HydrophobicContact CE1-CZ 4.49Å; F423-F452 HydrophobicContact CE2-CD2 4.16Å; F423-F452 HydrophobicContact CG-CB 3.94Å; F423-F452 HydrophobicContact CG-CD2 4.47Å; F423-F452 HydrophobicContact CG-CG 4.42Å; F423-F452 HydrophobicContact CZ-CB 4.37Å; F423-F452 HydrophobicContact CZ-CD1 4.27Å; F423-F452 AromaticContact CZ-CD2 3.66Å; F423-F452 HydrophobicContact CZ-CD2 3.66Å; F423-F452 HydrophobicContact CZ-CE1 4.49Å; F423-F452 AromaticContact CZ-CE2 3.91Å; F423-F452 HydrophobicContact CZ-CE2 3.91Å; F423-F452 AromaticContact CZ-CG 3.86Å; F423-F452 HydrophobicContact CZ-CG 3.86Å; F423-F452 HydrophobicContact CZ-CZ 4.33Å; S424-F452 PolarHBondContact N-O 2.92Å; I450-F452 HydrophobicContact CG2-CD2 4Å; I450-F452 HydrophobicContact CG2-CE2 3.45Å; I450-F452 VanDerWaalsContact CG2-CE2 3.45Å; I450-F452 HydrophobicContact CG2-CZ 4.14Å; F452-G454 PolarHBondContact O-N 3Å; F452-V477 HydrophobicContact CD1-CB 3.46Å; F452-V477 VanDerWaalsContact CD1-CB 3.46Å; F452-V477 HydrophobicContact CD1-CG1 3.65Å; F452-V477 HydrophobicContact CD1-CG2 3.77Å; F452-V477 HydrophobicContact CE1-CB 3.77Å; F452-V477 HydrophobicContact CE1-CG1 3.84Å; F452-V477 HydrophobicContact CE1-CG2 3.57Å; F452-V477 HydrophobicContact CG-CB 4.08Å; F452-V477 HydrophobicContact CG-CG2 4.36Å; F452-V477 HydrophobicContact CZ-CG2 4.01Å
453	S	95.2	Very high	94.6	Very high	26 Å²	26	47.2 Å²	47.2	18%	0.182	24%	0.239	C	C	.	.	S	Bend	trans	46.1	36.9	-176.7	-65	0	0	0	0	113.7	S424 V477 D482	S424-S453 WeakPolarHBondContact CA-O 3.47Å; S453-V477 PolarHBondContact N-O 3.23Å; S453-D482 VanDerWaalsContact CB-OD2 3.24Å; S453-D482 WeakPolarHBondContact CB-OD2 3.34Å; S453-D482 PolarHBondContact OG-OD2 2.65Å
454	G	96.8	Very high	94.9	Very high	3 Å²	3	47.6 Å²	47.6	3%	0.031	22%	0.224	C	C	.	.			trans	-73.1	154.8	178.8	0	0	0	0	0	112.2	F452 S490	F452-G454 PolarHBondContact O-N 3Å; G454-S490 WeakPolarHBondContact O-CA 3.36Å; G454-S490 WeakPolarHBondContact O-CB 3.37Å; G454-S490 PolarHBondContact O-OG 2.89Å
455	F	96.8	Very high	95.1	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.013	22%	0.216	C	C	.	.			trans	-143.3	159.7	178.2	53.6	-87	0	0	0	110.2	F388 S390 S424 Q425 C428 I485 M489	F388-F455 AromaticContact CE1-CZ 3.83Å; F388-F455 HydrophobicContact CE1-CZ 3.83Å; F388-F455 AromaticContact CZ-CE2 3.83Å; F388-F455 HydrophobicContact CZ-CE2 3.83Å; F388-F455 AromaticContact CZ-CZ 3.56Å; F388-F455 HydrophobicContact CZ-CZ 3.56Å; S390-F455 VanDerWaalsContact CB-CZ 3.45Å; S424-F455 WeakPolarHBondContact O-CE1 3.15Å; Q425-F455 HydrophobicContact CB-CZ 4.48Å; C428-F455 HydrophobicContact CB-CD2 4.19Å; C428-F455 HydrophobicContact CB-CE1 4.19Å; C428-F455 HydrophobicContact CB-CE2 3.8Å; C428-F455 HydrophobicContact CB-CZ 3.79Å; C428-F455 WeakPolarHBondContact CB-O 3.4Å; C428-F455 PolarHBondContact SG-O 3.13Å; F455-I485 HydrophobicContact CB-CG2 3.99Å; F455-I485 HydrophobicContact CD1-CD1 3.44Å; F455-I485 VanDerWaalsContact CD1-CD1 3.44Å; F455-I485 HydrophobicContact CD1-CG1 3.95Å; F455-I485 HydrophobicContact CD1-CG2 4.08Å; F455-I485 HydrophobicContact CE1-CD1 3.69Å; F455-I485 HydrophobicContact CE1-CG1 4.36Å; F455-I485 HydrophobicContact CG-CD1 4.21Å; F455-I485 HydrophobicContact CG-CG2 4.45Å; F455-M489 HydrophobicContact CB-CB 4.16Å
456	V	96.3	Very high	94.9	Very high	28 Å²	28	46.5 Å²	46.5	17%	0.17	21%	0.21	C	C	.	.			trans	-73.1	129.2	173.5	-174.6	0	0	0	0	109.1	R458 I465 Q492 L493 L496	V456-R458 PolarHBondContact O-N 3.4Å; V456-I465 HydrophobicContact CG1-CG2 4.08Å; V456-Q492 HydrophobicContact CG2-CB 4.36Å; V456-L493 HydrophobicContact CG2-CB 3.94Å; V456-L493 HydrophobicContact CG2-CD1 3.99Å; V456-L496 HydrophobicContact CG1-CD1 4.18Å; V456-L496 HydrophobicContact CG2-CD1 3.7Å; V456-L496 HydrophobicContact CG2-CG 4.47Å
457	S	94.7	Very high	94.3	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.028	25%	0.248	C	C	.	.			trans	-62.8	134.6	175.4	-162.7	0	0	0	0	111	C428 H462	C428-S457 VanDerWaalsContact SG-CB 3.59Å; S457-H462 VanDerWaalsContact CB-ND1 3.33Å; S457-H462 WeakPolarHBondContact CB-ND1 3.42Å; S457-H462 PolarHBondContact OG-ND1 3.47Å
458	R	93.1	Very high	94	Very high	88 Å²	88	48.1 Å²	48.1	33%	0.332	23%	0.228	S	C	.	.			trans	-99.3	8.9	179.5	-67.7	178	177.9	179.8	1.3	113.6	R391 D392 V393 T394 V456 M489	R391-R458 PolarHBondContact O-NH1 3.41Å; D392-R458 WeakPolarHBondContact O-CB 3.46Å; V393-R458 HydrophobicContact CG2-CB 4.26Å; T394-R458 PolarHBondContact N-O 3.49Å; V456-R458 PolarHBondContact O-N 3.4Å; R458-M489 PolarHBondContact NH2-SD 3.08Å
459	S	94	Very high	93.9	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.021	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-75.6	134.8	173.1	-175.7	0	0	0	0	110.4	T394 I396 K461 H462	T394-S459 CarbonylContact O-C 3.51Å; T394-S459 WeakPolarHBondContact O-CA 3.34Å; I396-S459 PolarHBondContact O-OG 3.38Å; S459-K461 PolarHBondContact O-N 3.02Å; S459-K461 VanDerWaalsContact O-N 3.11Å; S459-H462 PolarHBondContact O-N 3.41Å
460	S	93	Very high	93.9	Very high	33 Å²	33	49.9 Å²	49.9	23%	0.231	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-64.1	-18.3	177.9	73.3	0	0	0	0	113.5	T394 D395 H462 K463	T394-S460 PolarHBondContact O-N 2.91Å; D395-S460 WeakPolarHBondContact CA-OG 3.12Å; D395-S460 VanDerWaalsContact CG-OG 3.3Å; D395-S460 WeakPolarHBondContact OD1-CB 3.12Å; D395-S460 PolarHBondContact OD1-OG 2.95Å; S460-H462 PolarHBondContact O-N 3.25Å; S460-K463 VanDerWaalsContact O-CG 3.29Å; S460-K463 WeakPolarHBondContact O-CG 3.48Å
461	K	93.7	Very high	93.8	Very high	135 Å²	135	51.4 Å²	51.4	59%	0.587	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-69.4	-20.2	172.4	-57.3	-57.8	-178.1	-178.5	0	112.9	D395 C397 S459	D395-K461 WeakPolarHBondContact O-CE 3.31Å; C397-K461 HydrophobicContact CB-CB 3.95Å; C397-K461 HydrophobicContact CB-CG 3.82Å; S459-K461 PolarHBondContact O-N 3.02Å; S459-K461 VanDerWaalsContact O-N 3.11Å
462	H	95	Very high	93.8	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-102	9.6	-178.4	-61.6	154.5	0	0	0	114.1	W380 C397 F400 L432 S457 S459 S460 F464 I465	W380-H462 AromaticContact CE2-CE1 3.94Å; C397-H462 PolarHBondContact SG-CE1 3.36Å; C397-H462 PolarHBondContact SG-NE2 3.43Å; F400-H462 AromaticContact CD1-NE2 3.7Å; F400-H462 AromaticContact CD2-CE1 3.82Å; F400-H462 AromaticContact CD2-NE2 3.34Å; F400-H462 VanDerWaalsContact CD2-NE2 3.34Å; F400-H462 WeakPolarHBondContact CD2-NE2 3.44Å; F400-H462 AromaticContact CE1-NE2 3.78Å; F400-H462 AromaticContact CE2-NE2 3.43Å; F400-H462 WeakPolarHBondContact CE2-NE2 3.45Å; F400-H462 AromaticContact CG-NE2 3.48Å; F400-H462 WeakPolarHBondContact CG-NE2 3.14Å; F400-H462 AromaticContact CZ-NE2 3.64Å; L432-H462 HydrophobicContact CD2-CB 3.78Å; S457-H462 VanDerWaalsContact CB-ND1 3.33Å; S457-H462 WeakPolarHBondContact CB-ND1 3.42Å; S457-H462 PolarHBondContact OG-ND1 3.47Å; S459-H462 PolarHBondContact O-N 3.41Å; S460-H462 PolarHBondContact O-N 3.25Å; H462-F464 HydrophobicContact CB-CE1 4.41Å; H462-F464 AromaticContact CD2-CE1 3.93Å; H462-F464 PolarHBondContact O-N 2.95Å; H462-I465 VanDerWaalsContact O-CG2 3.29Å; H462-I465 WeakPolarHBondContact O-CG2 3.23Å; H462-I465 PolarHBondContact O-N 2.93Å
463	K	91.2	Very high	93.9	Very high	120 Å²	120	52.8 Å²	52.8	52%	0.522	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-54.4	-18.9	179.3	-75.5	-177.1	172.8	-173.4	0	115	S460 I465 E466	S460-K463 VanDerWaalsContact O-CG 3.29Å; S460-K463 WeakPolarHBondContact O-CG 3.48Å; K463-I465 PolarHBondContact O-N 3.37Å; K463-I465 VanDerWaalsContact O-N 3.16Å; K463-E466 WeakPolarHBondContact O-CB 3.48Å; K463-E466 PolarHBondContact O-N 3.13Å
464	F	93	Very high	94	Very high	69 Å²	69	51.9 Å²	51.9	30%	0.303	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-62.9	-15.4	174.3	65.6	-98.5	0	0	0	113.9	L432 L436 H462	L432-F464 HydrophobicContact CB-CZ 4.49Å; L432-F464 HydrophobicContact CD2-CE2 4.11Å; L432-F464 HydrophobicContact CD2-CZ 3.84Å; L436-F464 HydrophobicContact CD1-CZ 4.39Å; L436-F464 HydrophobicContact CD2-CD2 4.39Å; L436-F464 HydrophobicContact CD2-CE2 3.94Å; L436-F464 HydrophobicContact CD2-CZ 4.13Å; L436-F464 HydrophobicContact CG-CE2 3.95Å; L436-F464 HydrophobicContact CG-CZ 4.17Å; H462-F464 HydrophobicContact CB-CE1 4.41Å; H462-F464 AromaticContact CD2-CE1 3.93Å; H462-F464 PolarHBondContact O-N 2.95Å
465	I	93.5	Very high	94.1	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-89.9	-17	172.7	-154	174.6	0	0	0	112.9	L432 V456 H462 K463 R468 M470 L496	L432-I465 HydrophobicContact CD2-CB 4.18Å; L432-I465 HydrophobicContact CD2-CD1 3.99Å; L432-I465 HydrophobicContact CD2-CG2 4.13Å; V456-I465 HydrophobicContact CG1-CG2 4.08Å; H462-I465 VanDerWaalsContact O-CG2 3.29Å; H462-I465 WeakPolarHBondContact O-CG2 3.23Å; H462-I465 PolarHBondContact O-N 2.93Å; K463-I465 PolarHBondContact O-N 3.37Å; K463-I465 VanDerWaalsContact O-N 3.16Å; I465-R468 WeakPolarHBondContact O-CB 3.4Å; I465-R468 PolarHBondContact O-N 3.49Å; I465-M470 HydrophobicContact CD1-CE 4.29Å; I465-M470 HydrophobicContact CG1-CE 4.35Å; I465-L496 HydrophobicContact CG1-CD1 4.16Å
466	E	87.1	Confident	94.2	Very high	94 Å²	94	54.1 Å²	54.1	44%	0.439	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	142	179.4	-66.7	177.5	173.3	0	0	110.6	K463 R468	K463-E466 WeakPolarHBondContact O-CB 3.48Å; K463-E466 PolarHBondContact O-N 3.13Å; E466-R468 PolarHBondContact O-N 3Å
467	D	83.6	Confident	94.1	Very high	165 Å²	165	53.7 Å²	53.7	88%	0.882	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	21.3	179.2	-58.5	-36.9	0	0	0	115.6
468	R	88.7	Confident	94	Very high	60 Å²	60	53.5 Å²	53.5	23%	0.226	27%	0.273	C	S	.	.			trans	-79.5	153.4	173.7	-81.7	-95.8	-103.6	-154.7	-18.3	112	S435 D439 I465 E466 L496	S435-R468 PolarHBondContact O-NH2 3.31Å; S435-R468 PolarHBondContact OG-NE 3.46Å; S435-R468 VanDerWaalsContact OG-NE 3.15Å; S435-R468 PolarHBondContact OG-NH2 3.42Å; D439-R468 IonicContact OD1-CZ 3.56Å; D439-R468 IonicContact OD1-NH1 3.59Å; D439-R468 PolarHBondContact OD1-NH1 3.1Å; D439-R468 IonicContact OD1-NH2 2.84Å; D439-R468 PolarHBondContact OD1-NH2 2.97Å; D439-R468 IonicContact OD2-NH2 3.54Å; I465-R468 WeakPolarHBondContact O-CB 3.4Å; I465-R468 PolarHBondContact O-N 3.49Å; E466-R468 PolarHBondContact O-N 3Å; R468-L496 WeakPolarHBondContact O-CA 3.49Å; R468-L496 WeakPolarHBondContact O-CD2 3.42Å
469	L	95.5	Very high	93.7	Very high	121 Å²	121	49.9 Å²	49.9	63%	0.634	26%	0.264	S	S	*	.			trans	-126.1	94.5	164.4	-172.7	68.1	0	0	0	108.5	L496	L469-L496 CarbonylContact C-O 3.56Å; L469-L496 WeakPolarHBondContact CA-O 3.46Å
470	M	97	Very high	93	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-74.3	130.9	-178.8	-70	172.2	-76.8	0	0	110.6	T434 E438 I465 L496 F497 S498	T434-M470 HydrophobicContact CG2-SD 4.06Å; E438-M470 VanDerWaalsContact OE2-CA 3.28Å; E438-M470 WeakPolarHBondContact OE2-CA 3.21Å; I465-M470 HydrophobicContact CD1-CE 4.29Å; I465-M470 HydrophobicContact CG1-CE 4.35Å; M470-L496 HydrophobicContact CE-CB 3.64Å; M470-L496 WeakPolarHBondContact CE-O 3.46Å; M470-L496 PolarHBondContact N-O 3.36Å; M470-F497 HydrophobicContact CB-CD1 3.76Å; M470-F497 HydrophobicContact CB-CE1 3.98Å; M470-F497 HydrophobicContact CB-CG 4.37Å; M470-F497 HydrophobicContact CE-CD1 4.16Å; M470-F497 HydrophobicContact CE-CD2 3.77Å; M470-F497 HydrophobicContact CE-CE1 3.81Å; M470-F497 HydrophobicContact CE-CE2 3.36Å; M470-F497 HydrophobicContact CE-CG 4.15Å; M470-F497 HydrophobicContact CE-CZ 3.39Å; M470-F497 CarbonylContact O-C 3.57Å; M470-F497 HydrophobicContact SD-CE1 3.91Å; M470-F497 HydrophobicContact SD-CE2 4.43Å; M470-F497 HydrophobicContact SD-CZ 3.85Å; M470-S498 PolarHBondContact O-N 2.84Å; M470-S498 PolarHBondContact O-OG 2.73Å
471	A	97	Very high	91.9	Very high	68 Å²	68	53.9 Å²	53.9	56%	0.562	28%	0.282	S	S	*	.			trans	-79.5	-19.3	-178.2	0	0	0	0	0	113.6	E438 P473 S498	E438-A471 PolarHBondContact OE1-N 2.79Å; E438-A471 PolarHBondContact OE2-N 3.45Å; E438-A471 VanDerWaalsContact OE2-N 3.08Å; A471-P473 WeakPolarHBondContact O-CD 3.48Å; A471-S498 WeakPolarHBondContact CA-OG 3.35Å
472	T	97.7	Very high	91.1	Very high	11 Å²	11	49.2 Å²	49.2	7%	0.067	26%	0.264	C	S	.	.	S	Bend	trans	-60.8	124	-178.4	-58.1	0	0	0	0	110.2	T434 M437 E438 S474 F497	T434-T472 HydrophobicContact CG2-CG2 3.94Å; T434-T472 WeakPolarHBondContact CG2-OG1 3.45Å; M437-T472 HydrophobicContact CE-CG2 4.24Å; M437-T472 VanDerWaalsContact CE-OG1 3.26Å; M437-T472 WeakPolarHBondContact CE-OG1 3.14Å; E438-T472 WeakPolarHBondContact OE1-CB 3.46Å; E438-T472 PolarHBondContact OE1-N 2.67Å; E438-T472 PolarHBondContact OE1-OG1 2.71Å; T472-S474 PolarHBondContact O-N 2.76Å; T472-F497 WeakPolarHBondContact O-CD1 3.12Å
473	P	98.3	Very high	89.8	Confident	77 Å²	77	51.1 Å²	51.1	50%	0.5	28%	0.28	S	S	.	.			trans	-54.3	130.2	175	-27	34.1	0	0	0	112	R447 F448 V449 A471	R447-P473 WeakPolarHBondContact O-CD 3.43Å; F448-P473 CarbonylContact C-O 3.57Å; F448-P473 WeakPolarHBondContact CA-O 3.15Å; F448-P473 HydrophobicContact CB-CB 4.35Å; F448-P473 WeakPolarHBondContact CB-O 3.42Å; V449-P473 PolarHBondContact N-O 3.43Å; A471-P473 WeakPolarHBondContact O-CD 3.48Å
474	S	98.4	Very high	89.1	Confident	6 Å²	6	49.9 Å²	49.9	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.9	-178.3	67.2	0	0	0	0	113.1	V449 T472 H476 F497 T501	V449-S474 CarbonylContact O-C 3.45Å; V449-S474 VanDerWaalsContact O-CA 3.27Å; V449-S474 WeakPolarHBondContact O-CA 3.34Å; T472-S474 PolarHBondContact O-N 2.76Å; S474-H476 WeakPolarHBondContact CB-NE2 3.47Å; S474-H476 PolarHBondContact OG-CD2 3.18Å; S474-H476 VanDerWaalsContact OG-CD2 3.27Å; S474-H476 PolarHBondContact OG-NE2 3.11Å; S474-F497 VanDerWaalsContact OG-CB 3.29Å; S474-F497 WeakPolarHBondContact OG-CB 3.07Å; S474-F497 WeakPolarHBondContact OG-CG 3.4Å; S474-T501 PolarHBondContact O-N 3.16Å
475	L	98.3	Very high	88.8	Confident	49 Å²	49	46.7 Å²	46.7	26%	0.257	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.7	164.5	171.4	61.4	0	0	0	108.6	V449 I450 L451 V477 T501 V503	V449-L475 PolarHBondContact O-N 3.28Å; I450-L475 CarbonylContact C-O 3.56Å; I450-L475 WeakPolarHBondContact CA-O 3.45Å; I450-L475 HydrophobicContact CG1-CB 4.3Å; I450-L475 HydrophobicContact CG1-CD2 4.5Å; I450-L475 HydrophobicContact CG2-CB 4.34Å; I450-L475 HydrophobicContact CG2-CD2 4.01Å; I450-L475 HydrophobicContact CG2-CG 4.24Å; L451-L475 PolarHBondContact N-O 3.45Å; L475-V477 HydrophobicContact CD2-CG2 4.46Å; L475-V477 HydrophobicContact CG-CG2 4.24Å; L475-T501 CarbonylContact C-O 3.6Å; L475-T501 WeakPolarHBondContact CA-O 3.42Å; L475-T501 HydrophobicContact CD1-CG2 3.77Å; L475-V503 HydrophobicContact CD1-CB 4.36Å; L475-V503 HydrophobicContact CD1-CG2 3.71Å
476	H	98.2	Very high	88.5	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.019	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.8	176.8	-65.4	-103	0	0	0	109	L451 S474 V478 A494 F497 T501 I502 V503	L451-H476 VanDerWaalsContact CD1-CE1 3.4Å; L451-H476 WeakPolarHBondContact CD1-CE1 3.48Å; L451-H476 WeakPolarHBondContact O-CA 3.25Å; S474-H476 WeakPolarHBondContact CB-NE2 3.47Å; S474-H476 PolarHBondContact OG-CD2 3.18Å; S474-H476 VanDerWaalsContact OG-CD2 3.27Å; S474-H476 PolarHBondContact OG-NE2 3.11Å; H476-V478 HydrophobicContact CB-CG2 4.46Å; H476-A494 HydrophobicContact CB-CB 4.34Å; H476-A494 WeakPolarHBondContact CE1-CA 3.29Å; H476-F497 AromaticContact CE1-CD2 3.59Å; H476-F497 AromaticContact CE1-CE2 3.76Å; H476-F497 AromaticContact NE2-CD2 3.44Å; H476-F497 WeakPolarHBondContact NE2-CD2 3.38Å; H476-F497 AromaticContact NE2-CE2 3.92Å; H476-F497 AromaticContact NE2-CG 3.92Å; H476-T501 PolarHBondContact N-O 3.35Å; H476-I502 HydrophobicContact CB-CG1 4.36Å; H476-I502 WeakPolarHBondContact O-CA 3.42Å; H476-V503 PolarHBondContact O-N 2.81Å
477	V	95.6	Very high	88.6	Confident	19 Å²	19	47.2 Å²	47.2	12%	0.115	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.5	173.9	-175.5	0	0	0	0	108	L451 F452 S453 L475 V503 H505	L451-V477 PolarHBondContact O-N 2.95Å; F452-V477 HydrophobicContact CD1-CB 3.46Å; F452-V477 VanDerWaalsContact CD1-CB 3.46Å; F452-V477 HydrophobicContact CD1-CG1 3.65Å; F452-V477 HydrophobicContact CD1-CG2 3.77Å; F452-V477 HydrophobicContact CE1-CB 3.77Å; F452-V477 HydrophobicContact CE1-CG1 3.84Å; F452-V477 HydrophobicContact CE1-CG2 3.57Å; F452-V477 HydrophobicContact CG-CB 4.08Å; F452-V477 HydrophobicContact CG-CG2 4.36Å; F452-V477 HydrophobicContact CZ-CG2 4.01Å; S453-V477 PolarHBondContact N-O 3.23Å; L475-V477 HydrophobicContact CD2-CG2 4.46Å; L475-V477 HydrophobicContact CG-CG2 4.24Å; V477-V503 WeakPolarHBondContact CA-O 3.41Å; V477-H505 HydrophobicContact CG1-CB 4.11Å
478	V	92.6	Very high	89.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.2	-170.9	-177.4	0	0	0	0	108.9	H476 E480 K487 L491 I502 V503 H504 H505	H476-V478 HydrophobicContact CB-CG2 4.46Å; V478-E480 PolarHBondContact O-N 3.44Å; V478-K487 HydrophobicContact CG1-CB 3.57Å; V478-L491 HydrophobicContact CG2-CD2 4.41Å; V478-I502 HydrophobicContact CG2-CG2 3.97Å; V478-V503 PolarHBondContact N-O 3.32Å; V478-H504 WeakPolarHBondContact O-CA 3.26Å; V478-H505 PolarHBondContact O-N 3.48Å
479	G	86.5	Confident	89.4	Confident	13 Å²	13	42 Å²	42	13%	0.134	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	118.9	171.2	0	0	0	0	0	110.5	T481 D482	G479-T481 PolarHBondContact O-N 3.22Å; G479-D482 WeakPolarHBondContact O-CB 3.3Å; G479-D482 PolarHBondContact O-N 2.9Å
480	E	78.5	Confident	89.5	Confident	68 Å²	68	36.4 Å²	36.4	32%	0.318	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-28.3	-176	-166	60.4	-150.6	0	0	112.1	V478 K487 H504 H505	V478-E480 PolarHBondContact O-N 3.44Å; E480-K487 WeakPolarHBondContact OE1-CD 3.3Å; E480-K487 IonicContact OE1-NZ 3.26Å; E480-K487 PolarHBondContact OE1-NZ 3.16Å; E480-H504 IonicContact OE2-CE1 2.71Å; E480-H504 IonicContact OE2-CG 2.67Å; E480-H504 IonicContact OE2-ND1 3.18Å; E480-H504 PolarHBondContact OE2-ND1 2.86Å; E480-H505 PolarHBondContact N-O 3.49Å
481	T	69.4	Low	89.5	Confident	52 Å²	52	38.9 Å²	38.9	32%	0.319	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	6.6	-179.5	54.4	0	0	0	0	113.3	G479 A483 D507	G479-T481 PolarHBondContact O-N 3.22Å; T481-A483 PolarHBondContact O-N 3.06Å; T481-D507 WeakPolarHBondContact CB-OD2 3.46Å; T481-D507 WeakPolarHBondContact CG2-OD2 3.44Å; T481-D507 PolarHBondContact OG1-OD1 3.11Å; T481-D507 PolarHBondContact OG1-OD2 2.87Å
482	D	77.5	Confident	89.4	Confident	36 Å²	36	40.4 Å²	40.4	19%	0.193	23%	0.226	C	C	.	.			trans	-59.2	108	-175.5	-172.9	-21.9	0	0	0	110.9	S453 G479 V484 I485 P486	S453-D482 VanDerWaalsContact CB-OD2 3.24Å; S453-D482 WeakPolarHBondContact CB-OD2 3.34Å; S453-D482 PolarHBondContact OG-OD2 2.65Å; G479-D482 WeakPolarHBondContact O-CB 3.3Å; G479-D482 PolarHBondContact O-N 2.9Å; D482-V484 WeakPolarHBondContact OD1-CA 3.42Å; D482-V484 PolarHBondContact OD1-N 2.75Å; D482-I485 WeakPolarHBondContact CB-O 3.43Å; D482-I485 VanDerWaalsContact CG-O 3.3Å; D482-I485 CarbonylContact O-C 3.58Å; D482-I485 PolarHBondContact OD1-N 2.77Å; D482-P486 WeakPolarHBondContact O-CA 3.46Å
483	A	68.2	Low	89.4	Confident	42 Å²	42	39.9 Å²	39.9	35%	0.347	22%	0.222	S	C	.	.	S	Bend	trans	-84.1	-18	-177.8	0	0	0	0	0	113.2	R391 T481	R391-A483 PolarHBondContact NH2-O 3.03Å; T481-A483 PolarHBondContact O-N 3.06Å
484	V	76.8	Confident	89.4	Confident	94 Å²	94	36.2 Å²	36.2	57%	0.57	20%	0.199	S	C	*	.	S	Bend	trans	-81.4	-54.2	178.2	-179.5	0	0	0	0	108	R391 D482 P486	R391-V484 PolarHBondContact NH2-O 2.94Å; D482-V484 WeakPolarHBondContact OD1-CA 3.42Å; D482-V484 PolarHBondContact OD1-N 2.75Å; V484-P486 VanDerWaalsContact C-CD 3.41Å; V484-P486 WeakPolarHBondContact O-CD 3.41Å
485	I	86.9	Confident	89.3	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.226	C	C	.	.	S	Bend	trans	-113.8	83.2	175.9	-47	-56.7	0	0	0	109.6	S390 F455 D482 K487 M489	S390-I485 WeakPolarHBondContact OG-CD1 3.46Å; F455-I485 HydrophobicContact CB-CG2 3.99Å; F455-I485 HydrophobicContact CD1-CD1 3.44Å; F455-I485 VanDerWaalsContact CD1-CD1 3.44Å; F455-I485 HydrophobicContact CD1-CG1 3.95Å; F455-I485 HydrophobicContact CD1-CG2 4.08Å; F455-I485 HydrophobicContact CE1-CD1 3.69Å; F455-I485 HydrophobicContact CE1-CG1 4.36Å; F455-I485 HydrophobicContact CG-CD1 4.21Å; F455-I485 HydrophobicContact CG-CG2 4.45Å; D482-I485 WeakPolarHBondContact CB-O 3.43Å; D482-I485 VanDerWaalsContact CG-O 3.3Å; D482-I485 CarbonylContact O-C 3.58Å; D482-I485 PolarHBondContact OD1-N 2.77Å; I485-K487 PolarHBondContact O-N 2.85Å; I485-M489 HydrophobicContact CG2-CB 4.08Å; I485-M489 HydrophobicContact CG2-CE 4.42Å
486	P	85.9	Confident	89.2	Confident	39 Å²	39	40.1 Å²	40.1	25%	0.253	22%	0.219	S	C	.	.			trans	-40.2	135.5	169.5	-33.1	25.1	0	0	0	113	D482 V484 E488 M489	D482-P486 WeakPolarHBondContact O-CA 3.46Å; V484-P486 VanDerWaalsContact C-CD 3.41Å; V484-P486 WeakPolarHBondContact O-CD 3.41Å; P486-E488 PolarHBondContact O-N 3.49Å; P486-M489 HydrophobicContact CB-CE 4.05Å; P486-M489 HydrophobicContact CG-CE 3.65Å; P486-M489 WeakPolarHBondContact O-CB 3.36Å; P486-M489 PolarHBondContact O-N 2.68Å
487	K	90.7	Very high	89.2	Confident	66 Å²	66	40.1 Å²	40.1	29%	0.287	22%	0.219	S	C	.	.	H	α-helix	trans	-49.1	-33.9	-175.8	66.5	178.9	178.3	178.2	0	113.3	V478 E480 I485 M489 S490 L491	V478-K487 HydrophobicContact CG1-CB 3.57Å; E480-K487 WeakPolarHBondContact OE1-CD 3.3Å; E480-K487 IonicContact OE1-NZ 3.26Å; E480-K487 PolarHBondContact OE1-NZ 3.16Å; I485-K487 PolarHBondContact O-N 2.85Å; K487-M489 VanDerWaalsContact C-N 3.26Å; K487-M489 PolarHBondContact O-N 2.82Å; K487-S490 WeakPolarHBondContact O-CB 3.32Å; K487-S490 PolarHBondContact O-N 3.2Å; K487-S490 VanDerWaalsContact O-N 3.09Å; K487-L491 VanDerWaalsContact O-CG 3.31Å; K487-L491 WeakPolarHBondContact O-CG 3.26Å; K487-L491 PolarHBondContact O-N 3.15Å
488	E	93.5	Very high	89.3	Confident	101 Å²	101	41.3 Å²	41.3	47%	0.472	23%	0.228	S	C	.	.	H	α-helix	trans	-60.4	-36	178.6	-63.9	72.1	-154.9	0	0	112	P486 Q492	P486-E488 PolarHBondContact O-N 3.49Å; E488-Q492 WeakPolarHBondContact O-CB 3.26Å; E488-Q492 WeakPolarHBondContact O-CG 3.42Å; E488-Q492 PolarHBondContact O-N 2.83Å
489	M	95.4	Very high	89.3	Confident	15 Å²	15	48.5 Å²	48.5	7%	0.074	27%	0.266	C	S	.	.	H	α-helix	trans	-70.3	-36	175.8	-69	-167.4	-78.2	0	0	112.1	F455 R458 I485 P486 K487 Q492 L493	F455-M489 HydrophobicContact CB-CB 4.16Å; R458-M489 PolarHBondContact NH2-SD 3.08Å; I485-M489 HydrophobicContact CG2-CB 4.08Å; I485-M489 HydrophobicContact CG2-CE 4.42Å; P486-M489 HydrophobicContact CB-CE 4.05Å; P486-M489 HydrophobicContact CG-CE 3.65Å; P486-M489 WeakPolarHBondContact O-CB 3.36Å; P486-M489 PolarHBondContact O-N 2.68Å; K487-M489 VanDerWaalsContact C-N 3.26Å; K487-M489 PolarHBondContact O-N 2.82Å; M489-Q492 WeakPolarHBondContact O-CB 3.48Å; M489-Q492 PolarHBondContact O-N 3.02Å; M489-L493 PolarHBondContact O-N 2.95Å; M489-L493 VanDerWaalsContact O-N 3.14Å
490	S	96.6	Very high	89.8	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.028	27%	0.271	C	S	.	.	H	α-helix	trans	-68.3	-40.8	174.3	-53.4	0	0	0	0	112.3	G454 K487 L493 A494	G454-S490 WeakPolarHBondContact O-CA 3.36Å; G454-S490 WeakPolarHBondContact O-CB 3.37Å; G454-S490 PolarHBondContact O-OG 2.89Å; K487-S490 WeakPolarHBondContact O-CB 3.32Å; K487-S490 PolarHBondContact O-N 3.2Å; K487-S490 VanDerWaalsContact O-N 3.09Å; S490-L493 PolarHBondContact O-N 3.49Å; S490-A494 PolarHBondContact O-N 3.27Å
491	L	96.9	Very high	90.8	Very high	51 Å²	51	50.2 Å²	50.2	27%	0.267	28%	0.28	S	S	.	.	H	α-helix	trans	-67.6	-35.4	174.2	-65.6	175.3	0	0	0	112	V478 K487 L493 A494 N495 I502	V478-L491 HydrophobicContact CG2-CD2 4.41Å; K487-L491 VanDerWaalsContact O-CG 3.31Å; K487-L491 WeakPolarHBondContact O-CG 3.26Å; K487-L491 PolarHBondContact O-N 3.15Å; L491-L493 VanDerWaalsContact C-N 3.31Å; L491-L493 PolarHBondContact O-N 3.42Å; L491-A494 PolarHBondContact O-N 2.96Å; L491-N495 VanDerWaalsContact O-CG 3.23Å; L491-N495 PolarHBondContact O-N 3.16Å; L491-N495 PolarHBondContact O-ND2 2.91Å; L491-I502 HydrophobicContact CD2-CD1 4Å; L491-I502 HydrophobicContact CD2-CG2 4.09Å
492	Q	95.9	Very high	92.1	Very high	101 Å²	101	50.7 Å²	50.7	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-58.8	-42.8	171.3	-80.3	170	-0.4	0	0	111.6	V456 E488 M489 N495	V456-Q492 HydrophobicContact CG2-CB 4.36Å; E488-Q492 WeakPolarHBondContact O-CB 3.26Å; E488-Q492 WeakPolarHBondContact O-CG 3.42Å; E488-Q492 PolarHBondContact O-N 2.83Å; M489-Q492 WeakPolarHBondContact O-CB 3.48Å; M489-Q492 PolarHBondContact O-N 3.02Å; Q492-N495 PolarHBondContact O-N 3.43Å
493	L	97.5	Very high	92.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.2	-41.7	174.4	-178.6	61.2	0	0	0	111.7	L451 V456 M489 S490 L491 N495 L496 F497	L451-L493 HydrophobicContact CD1-CD2 4.05Å; V456-L493 HydrophobicContact CG2-CB 3.94Å; V456-L493 HydrophobicContact CG2-CD1 3.99Å; M489-L493 PolarHBondContact O-N 2.95Å; M489-L493 VanDerWaalsContact O-N 3.14Å; S490-L493 PolarHBondContact O-N 3.49Å; L491-L493 VanDerWaalsContact C-N 3.31Å; L491-L493 PolarHBondContact O-N 3.42Å; L493-N495 VanDerWaalsContact C-N 3.25Å; L493-N495 PolarHBondContact O-N 2.84Å; L493-L496 HydrophobicContact CD1-CD1 4.24Å; L493-L496 WeakPolarHBondContact O-CB 3.19Å; L493-L496 PolarHBondContact O-N 2.8Å; L493-F497 HydrophobicContact CD1-CE2 4.26Å; L493-F497 HydrophobicContact CG-CE2 4.36Å; L493-F497 WeakPolarHBondContact O-CD2 3.44Å
494	A	97.3	Very high	93.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.4	-37.2	177.3	0	0	0	0	0	112.7	H476 S490 L491 L496 F497 P500 I502	H476-A494 HydrophobicContact CB-CB 4.34Å; H476-A494 WeakPolarHBondContact CE1-CA 3.29Å; S490-A494 PolarHBondContact O-N 3.27Å; L491-A494 PolarHBondContact O-N 2.96Å; A494-L496 PolarHBondContact O-N 2.76Å; A494-L496 VanDerWaalsContact O-N 3.11Å; A494-F497 PolarHBondContact O-N 3.02Å; A494-P500 HydrophobicContact CB-CB 4.32Å; A494-P500 HydrophobicContact CB-CG 4.3Å; A494-P500 WeakPolarHBondContact O-CG 3.26Å; A494-I502 HydrophobicContact CB-CD1 3.97Å; A494-I502 HydrophobicContact CB-CG1 4.23Å
495	N	96.7	Very high	93.8	Very high	117 Å²	117	53.1 Å²	53.1	63%	0.626	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.8	177.1	-68.4	-27.1	0	0	0	114.1	L491 Q492 L493 F497	L491-N495 VanDerWaalsContact O-CG 3.23Å; L491-N495 PolarHBondContact O-N 3.16Å; L491-N495 PolarHBondContact O-ND2 2.91Å; Q492-N495 PolarHBondContact O-N 3.43Å; L493-N495 VanDerWaalsContact C-N 3.25Å; L493-N495 PolarHBondContact O-N 2.84Å; N495-F497 VanDerWaalsContact C-N 3.3Å
496	L	97.5	Very high	92.8	Very high	19 Å²	19	57.8 Å²	57.8	10%	0.099	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-0.9	175.1	-56.3	-177.9	0	0	0	113.3	V456 I465 R468 L469 M470 L493 A494	V456-L496 HydrophobicContact CG1-CD1 4.18Å; V456-L496 HydrophobicContact CG2-CD1 3.7Å; V456-L496 HydrophobicContact CG2-CG 4.47Å; I465-L496 HydrophobicContact CG1-CD1 4.16Å; R468-L496 WeakPolarHBondContact O-CA 3.49Å; R468-L496 WeakPolarHBondContact O-CD2 3.42Å; L469-L496 CarbonylContact C-O 3.56Å; L469-L496 WeakPolarHBondContact CA-O 3.46Å; M470-L496 HydrophobicContact CE-CB 3.64Å; M470-L496 WeakPolarHBondContact CE-O 3.46Å; M470-L496 PolarHBondContact N-O 3.36Å; L493-L496 HydrophobicContact CD1-CD1 4.24Å; L493-L496 WeakPolarHBondContact O-CB 3.19Å; L493-L496 PolarHBondContact O-N 2.8Å; A494-L496 PolarHBondContact O-N 2.76Å; A494-L496 VanDerWaalsContact O-N 3.11Å
497	F	98	Very high	91.4	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.018	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-111.8	146.9	177.6	-70.7	-92.9	0	0	0	111.3	T434 V449 L451 M470 T472 S474 H476 L493 A494 N495 N499 P500	T434-F497 HydrophobicContact CG2-CE1 3.94Å; V449-F497 HydrophobicContact CG1-CD1 4.48Å; V449-F497 HydrophobicContact CG1-CE1 3.67Å; V449-F497 HydrophobicContact CG1-CZ 3.99Å; L451-F497 HydrophobicContact CD1-CE2 3.78Å; L451-F497 HydrophobicContact CD1-CZ 3.87Å; M470-F497 HydrophobicContact CB-CD1 3.76Å; M470-F497 HydrophobicContact CB-CE1 3.98Å; M470-F497 HydrophobicContact CB-CG 4.37Å; M470-F497 HydrophobicContact CE-CD1 4.16Å; M470-F497 HydrophobicContact CE-CD2 3.77Å; M470-F497 HydrophobicContact CE-CE1 3.81Å; M470-F497 HydrophobicContact CE-CE2 3.36Å; M470-F497 HydrophobicContact CE-CG 4.15Å; M470-F497 HydrophobicContact CE-CZ 3.39Å; M470-F497 CarbonylContact O-C 3.57Å; M470-F497 HydrophobicContact SD-CE1 3.91Å; M470-F497 HydrophobicContact SD-CE2 4.43Å; M470-F497 HydrophobicContact SD-CZ 3.85Å; T472-F497 WeakPolarHBondContact O-CD1 3.12Å; S474-F497 VanDerWaalsContact OG-CB 3.29Å; S474-F497 WeakPolarHBondContact OG-CB 3.07Å; S474-F497 WeakPolarHBondContact OG-CG 3.4Å; H476-F497 AromaticContact CE1-CD2 3.59Å; H476-F497 AromaticContact CE1-CE2 3.76Å; H476-F497 AromaticContact NE2-CD2 3.44Å; H476-F497 WeakPolarHBondContact NE2-CD2 3.38Å; H476-F497 AromaticContact NE2-CE2 3.92Å; H476-F497 AromaticContact NE2-CG 3.92Å; L493-F497 HydrophobicContact CD1-CE2 4.26Å; L493-F497 HydrophobicContact CG-CE2 4.36Å; L493-F497 WeakPolarHBondContact O-CD2 3.44Å; A494-F497 PolarHBondContact O-N 3.02Å; N495-F497 VanDerWaalsContact C-N 3.3Å; F497-N499 PolarHBondContact O-N 3.43Å; F497-P500 HydrophobicContact CB-CB 4.28Å; F497-P500 WeakPolarHBondContact O-CD 3.48Å
498	S	95.9	Very high	89.5	Confident	44 Å²	44	58 Å²	58	31%	0.308	30%	0.302	S	S	.	.	S	Bend	trans	-80	118.4	174	72.7	0	0	0	0	109.8	M470 A471	M470-S498 PolarHBondContact O-N 2.84Å; M470-S498 PolarHBondContact O-OG 2.73Å; A471-S498 WeakPolarHBondContact CA-OG 3.35Å
499	N	94.3	Very high	87.6	Confident	151 Å²	151	58.3 Å²	58.3	81%	0.807	31%	0.307	S	S	*	.	S	Bend	trans	55.7	56.5	179.5	-168	52.9	0	0	0	113.7	F497	F497-N499 PolarHBondContact O-N 3.43Å
500	P	97.4	Very high	85.5	Confident	34 Å²	34	61.3 Å²	61.3	22%	0.221	32%	0.322	C	S	.	.			trans	-64.9	140.3	177.5	31.1	-36.4	0	0	0	110	A494 F497 I502	A494-P500 HydrophobicContact CB-CB 4.32Å; A494-P500 HydrophobicContact CB-CG 4.3Å; A494-P500 WeakPolarHBondContact O-CG 3.26Å; F497-P500 HydrophobicContact CB-CB 4.28Å; F497-P500 WeakPolarHBondContact O-CD 3.48Å; P500-I502 HydrophobicContact CB-CG1 4.36Å; P500-I502 HydrophobicContact CG-CD1 4.35Å; P500-I502 HydrophobicContact CG-CG1 4.4Å
501	T	98.2	Very high	83.8	Confident	83 Å²	83	61.6 Å²	61.6	51%	0.509	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.5	163.1	-57.3	0	0	0	0	107.6	S474 L475 H476	S474-T501 PolarHBondContact O-N 3.16Å; L475-T501 CarbonylContact C-O 3.6Å; L475-T501 WeakPolarHBondContact CA-O 3.42Å; L475-T501 HydrophobicContact CD1-CG2 3.77Å; H476-T501 PolarHBondContact N-O 3.35Å
502	I	97.1	Very high	82.5	Confident	63 Å²	63	67.7 Å²	67.7	32%	0.323	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.7	-179.8	-57	170.8	0	0	0	108	H476 V478 L491 A494 P500	H476-I502 HydrophobicContact CB-CG1 4.36Å; H476-I502 WeakPolarHBondContact O-CA 3.42Å; V478-I502 HydrophobicContact CG2-CG2 3.97Å; L491-I502 HydrophobicContact CD2-CD1 4Å; L491-I502 HydrophobicContact CD2-CG2 4.09Å; A494-I502 HydrophobicContact CB-CD1 3.97Å; A494-I502 HydrophobicContact CB-CG1 4.23Å; P500-I502 HydrophobicContact CB-CG1 4.36Å; P500-I502 HydrophobicContact CG-CD1 4.35Å; P500-I502 HydrophobicContact CG-CG1 4.4Å
503	V	92.4	Very high	81.9	Confident	68 Å²	68	63.8 Å²	63.8	41%	0.412	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.5	173.5	174.7	0	0	0	0	107.4	L475 H476 V477 V478	L475-V503 HydrophobicContact CD1-CB 4.36Å; L475-V503 HydrophobicContact CD1-CG2 3.71Å; H476-V503 PolarHBondContact O-N 2.81Å; V477-V503 WeakPolarHBondContact CA-O 3.41Å; V478-V503 PolarHBondContact N-O 3.32Å
504	H	87.3	Confident	81.3	Confident	91 Å²	91	66 Å²	66	42%	0.421	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.4	171.5	-67.5	-102.1	0	0	0	108.1	V478 E480	V478-H504 WeakPolarHBondContact O-CA 3.26Å; E480-H504 IonicContact OE2-CE1 2.71Å; E480-H504 IonicContact OE2-CG 2.67Å; E480-H504 IonicContact OE2-ND1 3.18Å; E480-H504 PolarHBondContact OE2-ND1 2.86Å
505	H	77.5	Confident	80.6	Confident	63 Å²	63	74.2 Å²	74.2	29%	0.292	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.7	176.1	-177.4	-74.7	0	0	0	108.4	V477 V478 E480	V477-H505 HydrophobicContact CG1-CB 4.11Å; V478-H505 PolarHBondContact O-N 3.48Å; E480-H505 PolarHBondContact N-O 3.49Å
506	E	67.1	Low	80.2	Confident	100 Å²	100	71 Å²	71	47%	0.467	37%	0.367	S	S	.	.			trans	-91.6	142.3	175.2	-63.2	-175.7	-176.5	0	0	109.5	E508 D509	E506-E508 PolarHBondContact O-N 2.89Å; E506-E508 VanDerWaalsContact O-N 3.13Å; E506-D509 PolarHBondContact O-N 2.88Å
507	D	57	Low	79.9	Confident	32 Å²	32	70.3 Å²	70.3	17%	0.171	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-58.5	-25.7	175.8	-71	-30.3	0	0	0	112.1	T481 D509 M510 H664	T481-D507 WeakPolarHBondContact CB-OD2 3.46Å; T481-D507 WeakPolarHBondContact CG2-OD2 3.44Å; T481-D507 PolarHBondContact OG1-OD1 3.11Å; T481-D507 PolarHBondContact OG1-OD2 2.87Å; D507-D509 VanDerWaalsContact C-N 3.32Å; D507-D509 PolarHBondContact O-N 3.37Å; D507-M510 PolarHBondContact O-N 2.93Å; D507-H664 IonicContact OD2-CE1 3.79Å; D507-H664 PolarHBondContact OD2-CE1 2.87Å; D507-H664 IonicContact OD2-CG 3.87Å; D507-H664 IonicContact OD2-ND1 2.89Å; D507-H664 PolarHBondContact OD2-ND1 2.99Å
508	E	50.7	Low	79.7	Confident	76 Å²	76	73.3 Å²	73.3	36%	0.355	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-68.9	-27.9	-177.5	-64.1	-174.7	-170.6	0	0	112.6	E506 M510 L511 W660 S661	E506-E508 PolarHBondContact O-N 2.89Å; E506-E508 VanDerWaalsContact O-N 3.13Å; E508-M510 PolarHBondContact O-N 2.89Å; E508-L511 WeakPolarHBondContact O-CB 3.42Å; E508-L511 PolarHBondContact O-N 3.11Å; E508-L511 VanDerWaalsContact O-N 3.12Å; E508-W660 HydrophobicContact CG-CB 4.48Å; E508-S661 WeakPolarHBondContact OE1-CB 3.38Å; E508-S661 PolarHBondContact OE1-N 3.33Å; E508-S661 VanDerWaalsContact OE1-N 3.14Å; E508-S661 PolarHBondContact OE1-OG 3.25Å
509	D	52.3	Low	79.5	Confident	108 Å²	108	75.2 Å²	75.2	58%	0.578	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-68.1	-19.8	177.8	-71.1	-28.3	0	0	0	112.5	E506 D507 L511	E506-D509 PolarHBondContact O-N 2.88Å; D507-D509 VanDerWaalsContact C-N 3.32Å; D507-D509 PolarHBondContact O-N 3.37Å; D509-L511 PolarHBondContact O-N 3.14Å
510	M	52.6	Low	79.5	Confident	79 Å²	79	69.4 Å²	69.4	39%	0.389	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-79.3	-6.2	175.8	-64.8	-72	-72.9	0	0	113.1	D507 E508 M704 F739	D507-M510 PolarHBondContact O-N 2.93Å; E508-M510 PolarHBondContact O-N 2.89Å; M510-M704 HydrophobicContact CB-CE 4.12Å; M510-F739 HydrophobicContact CE-CE1 3.94Å; M510-F739 HydrophobicContact CE-CZ 4.01Å
511	L	61.2	Low	79.4	Confident	10 Å²	10	67.9 Å²	67.9	5%	0.052	34%	0.344	C	S	.	.			trans	-104.7	40.5	-171.3	-59.1	172.3	0	0	0	112.4	E508 D509 V513 L700 I701 M704	E508-L511 WeakPolarHBondContact O-CB 3.42Å; E508-L511 PolarHBondContact O-N 3.11Å; E508-L511 VanDerWaalsContact O-N 3.12Å; D509-L511 PolarHBondContact O-N 3.14Å; L511-V513 PolarHBondContact O-N 3.47Å; L511-L700 HydrophobicContact CD2-CB 3.48Å; L511-L700 VanDerWaalsContact CD2-CB 3.48Å; L511-L700 HydrophobicContact CD2-CD1 3.82Å; L511-L700 HydrophobicContact CD2-CG 4.32Å; L511-I701 HydrophobicContact CD1-CD1 3.77Å; L511-I701 HydrophobicContact CD1-CG1 3.48Å; L511-I701 VanDerWaalsContact CD1-CG1 3.48Å; L511-I701 HydrophobicContact CD2-CG1 4.21Å; L511-M704 HydrophobicContact CD2-SD 3.79Å
512	E	69.3	Low	79.3	Confident	178 Å²	178	68 Å²	68	83%	0.832	34%	0.342	S	S	*	.			trans	-61	106.5	169.8	-77	-166.8	173.6	0	0	109.3
513	V	82.1	Confident	79.2	Confident	20 Å²	20	69 Å²	69	12%	0.121	35%	0.345	C	S	.	.			trans	-77.6	131.4	174.5	-170.5	0	0	0	0	108	L511 E515 L517 Y693 Y696 R697	L511-V513 PolarHBondContact O-N 3.47Å; V513-E515 PolarHBondContact O-N 3.27Å; V513-L517 HydrophobicContact CG1-CD2 3.75Å; V513-Y693 HydrophobicContact CB-CD1 4.09Å; V513-Y693 HydrophobicContact CG1-CD1 3.53Å; V513-Y693 HydrophobicContact CG1-CE1 4.27Å; V513-Y693 HydrophobicContact CG1-CG 4.42Å; V513-Y696 HydrophobicContact CB-CD1 4.14Å; V513-Y696 HydrophobicContact CB-CE1 4.43Å; V513-Y696 HydrophobicContact CG1-CD1 3.63Å; V513-Y696 HydrophobicContact CG1-CE1 4.11Å; V513-Y696 HydrophobicContact CG1-CG 3.84Å; V513-Y696 HydrophobicContact CG2-CD1 3.81Å; V513-Y696 HydrophobicContact CG2-CE1 4.36Å; V513-R697 HydrophobicContact CG2-CG 3.53Å
514	P	84.8	Confident	79.4	Confident	45 Å²	45	66.2 Å²	66.2	29%	0.292	33%	0.328	S	S	.	.			trans	-53.1	125.9	177.7	-27.2	34.5	0	0	0	111.8	Q516 L517	P514-Q516 PolarHBondContact O-N 2.93Å; P514-Q516 VanDerWaalsContact O-N 3.08Å; P514-L517 VanDerWaalsContact O-CB 3.31Å; P514-L517 WeakPolarHBondContact O-CB 3.35Å; P514-L517 PolarHBondContact O-N 3.48Å
515	E	82.8	Confident	79.8	Confident	174 Å²	174	62.7 Å²	62.7	81%	0.813	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-33.6	-178.6	-68	-173.9	162.4	0	0	112.1	V513	V513-E515 PolarHBondContact O-N 3.27Å
516	Q	88.2	Confident	80.7	Confident	50 Å²	50	63.1 Å²	63.1	23%	0.234	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	17.2	-176.1	-58.7	-173.3	1.7	0	0	114.3	N299 P514 N518 Q519 T520	N299-Q516 PolarHBondContact ND2-NE2 3.08Å; N299-Q516 PolarHBondContact ND2-OE1 3.44Å; N299-Q516 PolarHBondContact OD1-OE1 3.24Å; P514-Q516 PolarHBondContact O-N 2.93Å; P514-Q516 VanDerWaalsContact O-N 3.08Å; Q516-N518 PolarHBondContact O-N 2.93Å; Q516-N518 VanDerWaalsContact O-N 3.09Å; Q516-Q519 HydrophobicContact CB-CB 4.47Å; Q516-Q519 WeakPolarHBondContact O-CA 3.09Å; Q516-Q519 WeakPolarHBondContact O-CB 3.25Å; Q516-Q519 PolarHBondContact O-N 2.95Å; Q516-T520 PolarHBondContact O-N 3.05Å; Q516-T520 VanDerWaalsContact O-N 3.14Å; Q516-T520 PolarHBondContact O-OG1 3.03Å
517	L	92	Very high	82	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-46.2	-46.1	-178.8	179.1	63.4	0	0	0	112.8	V513 P514 Q519 T520 V521 I692 Y693 Y696 V727 L730	V513-L517 HydrophobicContact CG1-CD2 3.75Å; P514-L517 VanDerWaalsContact O-CB 3.31Å; P514-L517 WeakPolarHBondContact O-CB 3.35Å; P514-L517 PolarHBondContact O-N 3.48Å; L517-Q519 VanDerWaalsContact C-N 3.31Å; L517-Q519 PolarHBondContact O-N 3.42Å; L517-T520 PolarHBondContact O-N 3.46Å; L517-V521 HydrophobicContact CD1-CG2 4.21Å; L517-V521 HydrophobicContact CG-CG2 4.39Å; L517-V521 WeakPolarHBondContact O-CB 3.27Å; L517-V521 WeakPolarHBondContact O-CG2 3.4Å; L517-V521 PolarHBondContact O-N 3.08Å; L517-I692 HydrophobicContact CD2-CD1 3.92Å; L517-I692 HydrophobicContact CD2-CG1 4.28Å; L517-I692 HydrophobicContact CG-CD1 3.98Å; L517-Y693 HydrophobicContact CB-CE1 4.24Å; L517-Y693 HydrophobicContact CD2-CD1 4.3Å; L517-Y696 HydrophobicContact CD1-CD2 3.91Å; L517-Y696 HydrophobicContact CD1-CE2 4.24Å; L517-Y696 HydrophobicContact CD2-CD2 4.02Å; L517-Y696 HydrophobicContact CD2-CG 4.15Å; L517-V727 HydrophobicContact CD2-CG1 4.43Å; L517-L730 HydrophobicContact CD1-CB 4.45Å; L517-L730 HydrophobicContact CD1-CD1 3.8Å
518	N	92.7	Very high	83.8	Confident	67 Å²	67	62.4 Å²	62.4	36%	0.358	32%	0.318	S	S	.	.	H	α-helix	trans	-57.5	-39.7	177.3	-90	-60.9	0	0	0	113.7	Q516 N522 I692 Y693	Q516-N518 PolarHBondContact O-N 2.93Å; Q516-N518 VanDerWaalsContact O-N 3.09Å; N518-N522 PolarHBondContact O-N 2.66Å; N518-N522 PolarHBondContact O-ND2 2.88Å; N518-I692 HydrophobicContact CB-CD1 4.34Å; N518-I692 VanDerWaalsContact CG-CD1 3.4Å; N518-I692 WeakPolarHBondContact OD1-CD1 3.48Å; N518-Y693 PolarHBondContact ND2-OH 3.07Å
519	Q	93	Very high	86	Confident	85 Å²	85	63.7 Å²	63.7	40%	0.397	32%	0.322	S	S	.	.	H	α-helix	trans	-69.5	-50.2	179.8	-177.2	-177.4	-23.2	0	0	110.1	Q516 L517 V521 N522 E523	Q516-Q519 HydrophobicContact CB-CB 4.47Å; Q516-Q519 WeakPolarHBondContact O-CA 3.09Å; Q516-Q519 WeakPolarHBondContact O-CB 3.25Å; Q516-Q519 PolarHBondContact O-N 2.95Å; L517-Q519 VanDerWaalsContact C-N 3.31Å; L517-Q519 PolarHBondContact O-N 3.42Å; Q519-V521 VanDerWaalsContact C-N 3.27Å; Q519-V521 PolarHBondContact O-N 3.49Å; Q519-N522 PolarHBondContact O-N 2.94Å; Q519-N522 VanDerWaalsContact O-N 3.07Å; Q519-E523 WeakPolarHBondContact CG-OE1 3.23Å; Q519-E523 PolarHBondContact NE2-OE1 3.28Å; Q519-E523 WeakPolarHBondContact O-CG 3.42Å; Q519-E523 PolarHBondContact O-N 3.22Å
520	T	93.9	Very high	88	Confident	28 Å²	28	61.8 Å²	61.8	17%	0.172	32%	0.318	C	S	.	.	H	α-helix	trans	-57.4	-41	178.2	-49.3	0	0	0	0	111.6	Q516 L517 N522 E523 C524 L730	Q516-T520 PolarHBondContact O-N 3.05Å; Q516-T520 VanDerWaalsContact O-N 3.14Å; Q516-T520 PolarHBondContact O-OG1 3.03Å; L517-T520 PolarHBondContact O-N 3.46Å; T520-N522 VanDerWaalsContact C-N 3.35Å; T520-N522 PolarHBondContact O-N 2.7Å; T520-E523 PolarHBondContact O-N 3.49Å; T520-C524 PolarHBondContact O-N 3.19Å; T520-C524 PolarHBondContact O-SG 3.44Å; T520-C524 VanDerWaalsContact O-SG 3.37Å; T520-L730 HydrophobicContact CG2-CD1 3.92Å; T520-L730 HydrophobicContact CG2-CD2 3.94Å
521	V	95.5	Very high	90	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-57.2	-47.4	175.4	165.4	0	0	0	0	111.6	L517 Q519 E523 C524 I525 R723 T726 V727 L730	L517-V521 HydrophobicContact CD1-CG2 4.21Å; L517-V521 HydrophobicContact CG-CG2 4.39Å; L517-V521 WeakPolarHBondContact O-CB 3.27Å; L517-V521 WeakPolarHBondContact O-CG2 3.4Å; L517-V521 PolarHBondContact O-N 3.08Å; Q519-V521 VanDerWaalsContact C-N 3.27Å; Q519-V521 PolarHBondContact O-N 3.49Å; V521-E523 VanDerWaalsContact C-N 3.34Å; V521-E523 PolarHBondContact O-N 2.97Å; V521-C524 PolarHBondContact O-N 2.81Å; V521-I525 HydrophobicContact CG1-CD1 3.83Å; V521-I525 VanDerWaalsContact O-CG1 3.28Å; V521-I525 WeakPolarHBondContact O-CG1 3.31Å; V521-I525 PolarHBondContact O-N 2.74Å; V521-I525 VanDerWaalsContact O-N 3.08Å; V521-R723 HydrophobicContact CG1-CB 4.3Å; V521-R723 HydrophobicContact CG1-CG 3.95Å; V521-T726 HydrophobicContact CB-CG2 4.16Å; V521-T726 HydrophobicContact CG1-CG2 4.09Å; V521-T726 HydrophobicContact CG2-CG2 4.04Å; V521-V727 HydrophobicContact CG2-CG2 3.73Å; V521-L730 HydrophobicContact CG2-CD1 3.73Å
522	N	96	Very high	91.5	Very high	87 Å²	87	61.3 Å²	61.3	47%	0.465	32%	0.323	S	S	.	.	H	α-helix	trans	-67.4	-35.4	-179.7	-71.1	-50.3	0	0	0	112.5	N518 Q519 T520 S526	N518-N522 PolarHBondContact O-N 2.66Å; N518-N522 PolarHBondContact O-ND2 2.88Å; Q519-N522 PolarHBondContact O-N 2.94Å; Q519-N522 VanDerWaalsContact O-N 3.07Å; T520-N522 VanDerWaalsContact C-N 3.35Å; T520-N522 PolarHBondContact O-N 2.7Å; N522-S526 WeakPolarHBondContact O-CB 3.43Å; N522-S526 PolarHBondContact O-N 3.1Å
523	E	95.5	Very high	92.6	Very high	83 Å²	83	59.1 Å²	59.1	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-63	-50.7	175.7	-71.3	170.9	-178.7	0	0	111	Q519 T520 V521 I525 S526 E527	Q519-E523 WeakPolarHBondContact CG-OE1 3.23Å; Q519-E523 PolarHBondContact NE2-OE1 3.28Å; Q519-E523 WeakPolarHBondContact O-CG 3.42Å; Q519-E523 PolarHBondContact O-N 3.22Å; T520-E523 PolarHBondContact O-N 3.49Å; V521-E523 VanDerWaalsContact C-N 3.34Å; V521-E523 PolarHBondContact O-N 2.97Å; E523-I525 VanDerWaalsContact C-N 3.34Å; E523-I525 PolarHBondContact O-N 3.08Å; E523-S526 WeakPolarHBondContact O-CB 3.26Å; E523-S526 PolarHBondContact O-N 3.42Å; E523-S526 VanDerWaalsContact O-N 3.14Å; E523-E527 PolarHBondContact O-N 3.12Å
524	C	95.5	Very high	93.2	Very high	9 Å²	9	62.1 Å²	62.1	6%	0.061	35%	0.348	C	S	.	.	H	α-helix	trans	-59.2	-42.2	176.9	-66.8	0	0	0	0	112.3	T520 V521 S526 E527 A528 T726	T520-C524 PolarHBondContact O-N 3.19Å; T520-C524 PolarHBondContact O-SG 3.44Å; T520-C524 VanDerWaalsContact O-SG 3.37Å; V521-C524 PolarHBondContact O-N 2.81Å; C524-S526 VanDerWaalsContact C-N 3.35Å; C524-S526 PolarHBondContact O-N 3.41Å; C524-E527 PolarHBondContact O-N 3.02Å; C524-A528 VanDerWaalsContact O-CB 3.32Å; C524-A528 WeakPolarHBondContact O-CB 3.44Å; C524-A528 PolarHBondContact O-N 3.33Å; C524-T726 HydrophobicContact CB-CG2 3.74Å
525	I	96	Very high	93.5	Very high	18 Å²	18	61.7 Å²	61.7	9%	0.092	34%	0.342	C	S	.	.	H	α-helix	trans	-63.5	-42.1	177.2	-69.2	168.4	0	0	0	111	V521 E523 K529 L722 R723 T726 L763	V521-I525 HydrophobicContact CG1-CD1 3.83Å; V521-I525 VanDerWaalsContact O-CG1 3.28Å; V521-I525 WeakPolarHBondContact O-CG1 3.31Å; V521-I525 PolarHBondContact O-N 2.74Å; V521-I525 VanDerWaalsContact O-N 3.08Å; E523-I525 VanDerWaalsContact C-N 3.34Å; E523-I525 PolarHBondContact O-N 3.08Å; I525-K529 HydrophobicContact CG2-CD 4.08Å; I525-K529 WeakPolarHBondContact O-CB 2.99Å; I525-K529 WeakPolarHBondContact O-CG 3.49Å; I525-K529 PolarHBondContact O-N 3.41Å; I525-L722 HydrophobicContact CD1-CB 4.04Å; I525-L722 HydrophobicContact CG1-CB 4.36Å; I525-L722 HydrophobicContact CG2-CD1 4.38Å; I525-R723 HydrophobicContact CD1-CG 4.15Å; I525-T726 WeakPolarHBondContact CG1-OG1 3.48Å; I525-L763 HydrophobicContact CG1-CD1 3.97Å
526	S	96	Very high	93.9	Very high	71 Å²	71	57.4 Å²	57.4	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-43.6	178.9	-173.9	0	0	0	0	111.6	N522 E523 C524 S530	N522-S526 WeakPolarHBondContact O-CB 3.43Å; N522-S526 PolarHBondContact O-N 3.1Å; E523-S526 WeakPolarHBondContact O-CB 3.26Å; E523-S526 PolarHBondContact O-N 3.42Å; E523-S526 VanDerWaalsContact O-N 3.14Å; C524-S526 VanDerWaalsContact C-N 3.35Å; C524-S526 PolarHBondContact O-N 3.41Å; S526-S530 WeakPolarHBondContact O-CB 3.2Å; S526-S530 PolarHBondContact O-N 2.92Å; S526-S530 PolarHBondContact O-OG 3.1Å
527	E	95.6	Very high	93.8	Very high	116 Å²	116	58.6 Å²	58.6	54%	0.542	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-49.6	176.3	-177.2	176.1	172.3	0	0	111.5	E523 C524 K529 S530 S531 A766	E523-E527 PolarHBondContact O-N 3.12Å; C524-E527 PolarHBondContact O-N 3.02Å; E527-K529 VanDerWaalsContact C-N 3.33Å; E527-K529 PolarHBondContact O-N 2.91Å; E527-S530 PolarHBondContact O-N 2.81Å; E527-S530 VanDerWaalsContact O-N 3.13Å; E527-S531 WeakPolarHBondContact O-CB 3.31Å; E527-S531 PolarHBondContact O-N 2.93Å; E527-A766 HydrophobicContact CB-CB 4.25Å; E527-A766 HydrophobicContact CG-CB 4.16Å
528	A	94.9	Very high	93.6	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-58.5	-44.1	178.9	0	0	0	0	0	112.1	C524 S531 C532 L759 K762 L763 A766	C524-A528 VanDerWaalsContact O-CB 3.32Å; C524-A528 WeakPolarHBondContact O-CB 3.44Å; C524-A528 PolarHBondContact O-N 3.33Å; A528-S531 PolarHBondContact O-N 3.48Å; A528-C532 PolarHBondContact O-N 3.4Å; A528-C532 PolarHBondContact O-SG 3Å; A528-L759 HydrophobicContact CB-CD1 4.37Å; A528-K762 HydrophobicContact CB-CB 4.38Å; A528-L763 HydrophobicContact CB-CB 4.26Å; A528-L763 HydrophobicContact CB-CD1 3.92Å; A528-A766 HydrophobicContact CB-CB 4.21Å
529	K	95.3	Very high	93.5	Very high	103 Å²	103	65.2 Å²	65.2	45%	0.448	36%	0.359	S	S	.	.	H	α-helix	trans	-63.4	-42.6	175.7	-76.6	175.3	175.9	174.5	0	112	I525 E527 C532 V533 L759	I525-K529 HydrophobicContact CG2-CD 4.08Å; I525-K529 WeakPolarHBondContact O-CB 2.99Å; I525-K529 WeakPolarHBondContact O-CG 3.49Å; I525-K529 PolarHBondContact O-N 3.41Å; E527-K529 VanDerWaalsContact C-N 3.33Å; E527-K529 PolarHBondContact O-N 2.91Å; K529-C532 WeakPolarHBondContact O-CB 3.12Å; K529-C532 PolarHBondContact O-N 3.33Å; K529-V533 WeakPolarHBondContact O-CG2 3.45Å; K529-V533 PolarHBondContact O-N 3.47Å; K529-V533 VanDerWaalsContact O-N 3.12Å; K529-L759 HydrophobicContact CG-CD1 4.09Å
530	S	95.5	Very high	93.4	Very high	69 Å²	69	66.3 Å²	66.3	48%	0.483	36%	0.36	S	S	.	.	H	α-helix	trans	-65.1	-43	178.9	-59	0	0	0	0	111.3	S526 E527 C532 V533 A534	S526-S530 WeakPolarHBondContact O-CB 3.2Å; S526-S530 PolarHBondContact O-N 2.92Å; S526-S530 PolarHBondContact O-OG 3.1Å; E527-S530 PolarHBondContact O-N 2.81Å; E527-S530 VanDerWaalsContact O-N 3.13Å; S530-C532 VanDerWaalsContact C-N 3.33Å; S530-C532 PolarHBondContact O-N 3.48Å; S530-V533 PolarHBondContact O-N 2.86Å; S530-A534 WeakPolarHBondContact O-CB 3.34Å; S530-A534 PolarHBondContact O-N 2.84Å
531	S	93.6	Very high	93.1	Very high	45 Å²	45	67.9 Å²	67.9	32%	0.315	36%	0.363	S	S	.	.	H	α-helix	trans	-58.4	-45.1	173.3	-173.3	0	0	0	0	111.1	E527 A528 V533 A534 M535	E527-S531 WeakPolarHBondContact O-CB 3.31Å; E527-S531 PolarHBondContact O-N 2.93Å; A528-S531 PolarHBondContact O-N 3.48Å; S531-V533 VanDerWaalsContact C-N 3.31Å; S531-V533 PolarHBondContact O-N 2.74Å; S531-A534 PolarHBondContact O-N 3.1Å; S531-M535 WeakPolarHBondContact O-CG 3.34Å; S531-M535 PolarHBondContact O-N 3.43Å
532	C	93.6	Very high	92.8	Very high	34 Å²	34	70.5 Å²	70.5	23%	0.23	39%	0.385	C	S	.	.	H	α-helix	trans	-59	-40	177	-69.4	0	0	0	0	113.4	A528 K529 S530 M535	A528-C532 PolarHBondContact O-N 3.4Å; A528-C532 PolarHBondContact O-SG 3Å; K529-C532 WeakPolarHBondContact O-CB 3.12Å; K529-C532 PolarHBondContact O-N 3.33Å; S530-C532 VanDerWaalsContact C-N 3.33Å; S530-C532 PolarHBondContact O-N 3.48Å; C532-M535 HydrophobicContact CB-CE 4.26Å
533	V	93.1	Very high	92.6	Very high	131 Å²	131	66.8 Å²	66.8	79%	0.794	36%	0.364	S	S	*	.	H	α-helix	trans	-73.2	-32	179.7	173	0	0	0	0	111.8	K529 S530 S531	K529-V533 WeakPolarHBondContact O-CG2 3.45Å; K529-V533 PolarHBondContact O-N 3.47Å; K529-V533 VanDerWaalsContact O-N 3.12Å; S530-V533 PolarHBondContact O-N 2.86Å; S531-V533 VanDerWaalsContact C-N 3.31Å; S531-V533 PolarHBondContact O-N 2.74Å
534	A	92.9	Very high	92.4	Very high	83 Å²	83	63 Å²	63	69%	0.686	35%	0.347	S	S	*	.	H	α-helix	trans	-80.9	-15.1	-177.8	0	0	0	0	0	114.2	S530 S531 N536	S530-A534 WeakPolarHBondContact O-CB 3.34Å; S530-A534 PolarHBondContact O-N 2.84Å; S531-A534 PolarHBondContact O-N 3.1Å; A534-N536 PolarHBondContact O-N 3.42Å
535	M	92.4	Very high	92.2	Very high	37 Å²	37	64 Å²	64	18%	0.182	35%	0.35	C	S	.	.			trans	-62.1	128	-176.8	-77.6	-171.2	-67.1	0	0	112.3	S531 C532 D539 L543 V758 K762	S531-M535 WeakPolarHBondContact O-CG 3.34Å; S531-M535 PolarHBondContact O-N 3.43Å; C532-M535 HydrophobicContact CB-CE 4.26Å; M535-D539 HydrophobicContact CB-CB 4.38Å; M535-D539 HydrophobicContact CG-CB 4.31Å; M535-L543 HydrophobicContact CE-CD2 3.99Å; M535-L543 HydrophobicContact SD-CD2 3.7Å; M535-V758 HydrophobicContact CE-CG1 3.32Å; M535-K762 HydrophobicContact CE-CG 4.42Å; M535-K762 WeakPolarHBondContact SD-CE 3.48Å
536	N	90.7	Very high	92	Very high	84 Å²	84	65.8 Å²	65.8	45%	0.449	36%	0.358	S	S	.	.			trans	-79.4	177.4	168.3	69.7	49.9	0	0	0	111	A534 E538 D539 R540	A534-N536 PolarHBondContact O-N 3.42Å; N536-E538 PolarHBondContact O-N 3.14Å; N536-E538 WeakPolarHBondContact OD1-CA 3.25Å; N536-E538 PolarHBondContact OD1-N 3.05Å; N536-D539 VanDerWaalsContact CG-OD2 3.22Å; N536-D539 VanDerWaalsContact ND2-CG 3.34Å; N536-D539 PolarHBondContact ND2-OD2 2.94Å; N536-D539 PolarHBondContact OD1-N 3.34Å; N536-D539 PolarHBondContact OD1-OD2 2.89Å; N536-R540 WeakPolarHBondContact O-CB 3.35Å; N536-R540 PolarHBondContact O-N 3.24Å
537	Y	86.9	Confident	91.9	Very high	74 Å²	74	62.4 Å²	62.4	29%	0.29	34%	0.335	S	S	.	.	H	α-helix	trans	-60.8	-42.8	-179.1	173.7	-95.9	0	0	0	113.3	R540 R541 P797	Y537-R540 PolarHBondContact O-N 2.88Å; Y537-R541 WeakPolarHBondContact O-CB 3.08Å; Y537-R541 PolarHBondContact O-N 3.02Å; Y537-R541 PolarHBondContact OH-NH1 2.98Å; Y537-P797 HydrophobicContact CD1-CB 4.02Å; Y537-P797 HydrophobicContact CD1-CG 4.5Å; Y537-P797 HydrophobicContact CD2-CB 4.16Å; Y537-P797 HydrophobicContact CE1-CB 3.58Å; Y537-P797 HydrophobicContact CE1-CG 3.66Å; Y537-P797 HydrophobicContact CE2-CB 3.74Å; Y537-P797 HydrophobicContact CE2-CG 4.34Å; Y537-P797 HydrophobicContact CG-CB 4.29Å; Y537-P797 VanDerWaalsContact CZ-CB 3.42Å; Y537-P797 WeakPolarHBondContact OH-CD 3.42Å; Y537-P797 WeakPolarHBondContact OH-CG 3.31Å
538	E	87.4	Confident	91.8	Very high	124 Å²	124	56.9 Å²	56.9	58%	0.579	31%	0.309	S	S	*	.	H	α-helix	trans	-69.1	-43.5	-178.5	-63	-59.6	160.9	0	0	111.6	N536 R540 R541 A542	N536-E538 PolarHBondContact O-N 3.14Å; N536-E538 WeakPolarHBondContact OD1-CA 3.25Å; N536-E538 PolarHBondContact OD1-N 3.05Å; E538-R540 VanDerWaalsContact C-N 3.29Å; E538-R540 PolarHBondContact O-N 3.34Å; E538-R541 PolarHBondContact O-N 3.49Å; E538-R541 VanDerWaalsContact O-N 3.15Å; E538-A542 WeakPolarHBondContact O-CB 3.26Å; E538-A542 PolarHBondContact O-N 3.32Å
539	D	90	Very high	91.7	Very high	85 Å²	85	60 Å²	60	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-60.4	-43	175.7	-61.7	-23.1	0	0	0	110.6	M535 N536 L543	M535-D539 HydrophobicContact CB-CB 4.38Å; M535-D539 HydrophobicContact CG-CB 4.31Å; N536-D539 VanDerWaalsContact CG-OD2 3.22Å; N536-D539 VanDerWaalsContact ND2-CG 3.34Å; N536-D539 PolarHBondContact ND2-OD2 2.94Å; N536-D539 PolarHBondContact OD1-N 3.34Å; N536-D539 PolarHBondContact OD1-OD2 2.89Å; D539-L543 VanDerWaalsContact O-CB 3.32Å; D539-L543 WeakPolarHBondContact O-CB 3.44Å; D539-L543 PolarHBondContact O-N 2.83Å
540	R	90.5	Very high	91.7	Very high	108 Å²	108	55.2 Å²	55.2	41%	0.408	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-46.3	175.1	-180	178	170.7	-164.6	-9.2	110.6	N536 Y537 E538 L543 L544	N536-R540 WeakPolarHBondContact O-CB 3.35Å; N536-R540 PolarHBondContact O-N 3.24Å; Y537-R540 PolarHBondContact O-N 2.88Å; E538-R540 VanDerWaalsContact C-N 3.29Å; E538-R540 PolarHBondContact O-N 3.34Å; R540-L543 WeakPolarHBondContact O-CB 3.42Å; R540-L543 PolarHBondContact O-N 3.5Å; R540-L544 WeakPolarHBondContact O-CG 3.43Å; R540-L544 PolarHBondContact O-N 3.17Å
541	R	88.1	Confident	91.7	Very high	62 Å²	62	52 Å²	52	23%	0.234	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-43.7	-179.8	-170.6	176.9	177.9	93.1	4	111.7	Y537 E538 L544 Y545 L793	Y537-R541 WeakPolarHBondContact O-CB 3.08Å; Y537-R541 PolarHBondContact O-N 3.02Å; Y537-R541 PolarHBondContact OH-NH1 2.98Å; E538-R541 PolarHBondContact O-N 3.49Å; E538-R541 VanDerWaalsContact O-N 3.15Å; R541-L544 PolarHBondContact O-N 3.44Å; R541-Y545 HydrophobicContact CG-CE2 4.23Å; R541-Y545 VanDerWaalsContact O-CD2 3.3Å; R541-Y545 WeakPolarHBondContact O-CD2 3.09Å; R541-Y545 PolarHBondContact O-N 3.36Å; R541-L793 HydrophobicContact CG-CD2 4.21Å; R541-L793 PolarHBondContact NH1-O 2.87Å
542	A	89.2	Confident	91.8	Very high	57 Å²	57	49.9 Å²	49.9	47%	0.471	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-44.2	174	0	0	0	0	0	111.7	E538 L544 Y545 M546	E538-A542 WeakPolarHBondContact O-CB 3.26Å; E538-A542 PolarHBondContact O-N 3.32Å; A542-L544 VanDerWaalsContact C-N 3.3Å; A542-L544 PolarHBondContact O-N 3.48Å; A542-Y545 PolarHBondContact O-N 2.86Å; A542-M546 PolarHBondContact O-N 3.27Å; A542-M546 VanDerWaalsContact O-N 3.16Å
543	L	92.1	Very high	91.8	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-37.1	175.9	176.7	63	0	0	0	112.5	M535 D539 R540 Y545 M546 I547 V758 Y761 K762	M535-L543 HydrophobicContact CE-CD2 3.99Å; M535-L543 HydrophobicContact SD-CD2 3.7Å; D539-L543 VanDerWaalsContact O-CB 3.32Å; D539-L543 WeakPolarHBondContact O-CB 3.44Å; D539-L543 PolarHBondContact O-N 2.83Å; R540-L543 WeakPolarHBondContact O-CB 3.42Å; R540-L543 PolarHBondContact O-N 3.5Å; L543-Y545 VanDerWaalsContact C-N 3.32Å; L543-Y545 PolarHBondContact O-N 3.28Å; L543-M546 WeakPolarHBondContact O-CB 3.5Å; L543-M546 PolarHBondContact O-N 3.43Å; L543-I547 HydrophobicContact CD1-CD1 4.4Å; L543-I547 HydrophobicContact CD1-CG1 4.32Å; L543-I547 HydrophobicContact CG-CD1 4.03Å; L543-I547 HydrophobicContact CG-CG1 4.39Å; L543-I547 WeakPolarHBondContact O-CG1 3.42Å; L543-I547 PolarHBondContact O-N 2.76Å; L543-V758 HydrophobicContact CD2-CB 4.26Å; L543-V758 HydrophobicContact CD2-CG1 3.77Å; L543-V758 HydrophobicContact CD2-CG2 4.02Å; L543-Y761 HydrophobicContact CD1-CD1 3.22Å; L543-Y761 HydrophobicContact CD1-CD2 4.38Å; L543-Y761 HydrophobicContact CD1-CE1 3.53Å; L543-Y761 HydrophobicContact CD1-CG 3.69Å; L543-K762 HydrophobicContact CD2-CD 4.47Å; L543-K762 HydrophobicContact CD2-CG 4.41Å
544	L	92.1	Very high	91.7	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-39.1	176.7	-66.9	-174.2	0	0	0	112.1	R540 R541 A542 I547 V548 L754 V758 V789 A792 L793	R540-L544 WeakPolarHBondContact O-CG 3.43Å; R540-L544 PolarHBondContact O-N 3.17Å; R541-L544 PolarHBondContact O-N 3.44Å; A542-L544 VanDerWaalsContact C-N 3.3Å; A542-L544 PolarHBondContact O-N 3.48Å; L544-I547 HydrophobicContact CD2-CD1 4.28Å; L544-I547 PolarHBondContact O-N 2.77Å; L544-V548 WeakPolarHBondContact O-CG2 3.47Å; L544-V548 PolarHBondContact O-N 2.92Å; L544-V548 VanDerWaalsContact O-N 3.07Å; L544-L754 HydrophobicContact CD1-CD1 4.48Å; L544-L754 HydrophobicContact CD2-CD1 3.4Å; L544-L754 VanDerWaalsContact CD2-CD1 3.4Å; L544-L754 HydrophobicContact CD2-CG 4.22Å; L544-V758 HydrophobicContact CD2-CG2 4.32Å; L544-V789 HydrophobicContact CB-CG1 4.15Å; L544-V789 HydrophobicContact CD2-CG1 4.36Å; L544-A792 HydrophobicContact CD1-CB 3.83Å; L544-L793 HydrophobicContact CB-CD1 4.37Å; L544-L793 HydrophobicContact CB-CD2 3.64Å; L544-L793 HydrophobicContact CB-CG 3.92Å; L544-L793 HydrophobicContact CD1-CD2 4.01Å; L544-L793 HydrophobicContact CD1-CG 4.05Å; L544-L793 HydrophobicContact CG-CD2 4.46Å
545	Y	90.7	Very high	91.3	Very high	31 Å²	31	43.7 Å²	43.7	12%	0.122	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-43.1	172.2	-71	-67.9	0	0	0	111.9	R541 A542 L543 I547 V548 E549 L579 T584 A589 L793	R541-Y545 HydrophobicContact CG-CE2 4.23Å; R541-Y545 VanDerWaalsContact O-CD2 3.3Å; R541-Y545 WeakPolarHBondContact O-CD2 3.09Å; R541-Y545 PolarHBondContact O-N 3.36Å; A542-Y545 PolarHBondContact O-N 2.86Å; L543-Y545 VanDerWaalsContact C-N 3.32Å; L543-Y545 PolarHBondContact O-N 3.28Å; Y545-I547 VanDerWaalsContact C-N 3.28Å; Y545-I547 PolarHBondContact O-N 3.19Å; Y545-V548 WeakPolarHBondContact O-CB 3.17Å; Y545-V548 PolarHBondContact O-N 3.17Å; Y545-V548 VanDerWaalsContact O-N 3.1Å; Y545-E549 PolarHBondContact O-N 3.25Å; Y545-E549 VanDerWaalsContact O-N 3.11Å; Y545-L579 HydrophobicContact CD1-CD1 4.03Å; Y545-L579 HydrophobicContact CE1-CD1 3.84Å; Y545-T584 VanDerWaalsContact OH-CG2 3.31Å; Y545-T584 WeakPolarHBondContact OH-CG2 3.45Å; Y545-A589 HydrophobicContact CE1-CB 4.19Å; Y545-L793 HydrophobicContact CD1-CD1 4.29Å; Y545-L793 HydrophobicContact CD2-CD2 4.31Å; Y545-L793 HydrophobicContact CE1-CD1 4.17Å; Y545-L793 HydrophobicContact CE1-CD2 4.28Å; Y545-L793 HydrophobicContact CE2-CD2 4.03Å
546	M	91.8	Very high	90.7	Very high	55 Å²	55	44.4 Å²	44.4	27%	0.271	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-38.6	174.6	-63.4	-62.5	-62.7	0	0	112	A542 L543 V548 E549 V550 Y761 K775	A542-M546 PolarHBondContact O-N 3.27Å; A542-M546 VanDerWaalsContact O-N 3.16Å; L543-M546 WeakPolarHBondContact O-CB 3.5Å; L543-M546 PolarHBondContact O-N 3.43Å; M546-V548 VanDerWaalsContact C-N 3.32Å; M546-V548 PolarHBondContact O-N 3.11Å; M546-E549 WeakPolarHBondContact O-CB 3.24Å; M546-E549 PolarHBondContact O-N 3.38Å; M546-V550 PolarHBondContact O-N 2.97Å; M546-V550 VanDerWaalsContact O-N 3.07Å; M546-Y761 HydrophobicContact CB-CE2 4.21Å; M546-Y761 VanDerWaalsContact CE-OH 3.28Å; M546-Y761 WeakPolarHBondContact CE-OH 3.25Å; M546-K775 HydrophobicContact CE-CB 3.87Å; M546-K775 HydrophobicContact CE-CD 4.01Å; M546-K775 HydrophobicContact CE-CG 4.18Å
547	I	94.3	Very high	89.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-39.5	175.2	-71.7	170.3	0	0	0	111	L543 L544 Y545 E549 V550 T551 A757 V758 Y761 L780 V789	L543-I547 HydrophobicContact CD1-CD1 4.4Å; L543-I547 HydrophobicContact CD1-CG1 4.32Å; L543-I547 HydrophobicContact CG-CD1 4.03Å; L543-I547 HydrophobicContact CG-CG1 4.39Å; L543-I547 WeakPolarHBondContact O-CG1 3.42Å; L543-I547 PolarHBondContact O-N 2.76Å; L544-I547 HydrophobicContact CD2-CD1 4.28Å; L544-I547 PolarHBondContact O-N 2.77Å; Y545-I547 VanDerWaalsContact C-N 3.28Å; Y545-I547 PolarHBondContact O-N 3.19Å; I547-E549 VanDerWaalsContact C-N 3.32Å; I547-E549 PolarHBondContact O-N 3Å; I547-V550 WeakPolarHBondContact O-CG2 3.49Å; I547-V550 PolarHBondContact O-N 2.53Å; I547-T551 PolarHBondContact O-N 2.91Å; I547-T551 PolarHBondContact O-OG1 3.27Å; I547-A757 HydrophobicContact CD1-CB 4.33Å; I547-V758 HydrophobicContact CD1-CG2 3.92Å; I547-Y761 HydrophobicContact CG1-CD2 4.31Å; I547-Y761 HydrophobicContact CG1-CG 4.5Å; I547-L780 HydrophobicContact CG2-CD1 4.25Å; I547-V789 HydrophobicContact CG2-CG1 4.45Å; I547-V789 HydrophobicContact CG2-CG2 3.66Å
548	V	93.1	Very high	89.4	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-43.6	174	177.5	0	0	0	0	110.6	L544 Y545 M546 V550 T551 P578 V592 C594 L786 V789 L793	L544-V548 WeakPolarHBondContact O-CG2 3.47Å; L544-V548 PolarHBondContact O-N 2.92Å; L544-V548 VanDerWaalsContact O-N 3.07Å; Y545-V548 WeakPolarHBondContact O-CB 3.17Å; Y545-V548 PolarHBondContact O-N 3.17Å; Y545-V548 VanDerWaalsContact O-N 3.1Å; M546-V548 VanDerWaalsContact C-N 3.32Å; M546-V548 PolarHBondContact O-N 3.11Å; V548-V550 PolarHBondContact O-N 2.86Å; V548-T551 WeakPolarHBondContact O-CB 3.34Å; V548-T551 PolarHBondContact O-N 3.4Å; V548-P578 HydrophobicContact CG1-CB 3.95Å; V548-P578 HydrophobicContact CG1-CG 3.46Å; V548-P578 VanDerWaalsContact CG1-CG 3.46Å; V548-V592 HydrophobicContact CB-CG1 3.96Å; V548-V592 HydrophobicContact CG1-CG1 3.61Å; V548-C594 WeakPolarHBondContact O-CA 3.29Å; V548-L786 HydrophobicContact CG1-CD1 4.06Å; V548-L786 HydrophobicContact CG2-CD1 4.06Å; V548-V789 HydrophobicContact CG2-CG1 3.67Å; V548-L793 HydrophobicContact CG2-CD1 4.36Å
549	E	92.6	Very high	89	Confident	67 Å²	67	47.2 Å²	47.2	31%	0.313	23%	0.231	S	C	.	.	H	α-helix	trans	-62.2	-39.8	179	-67.5	-172.7	167.3	0	0	112.9	Y545 M546 I547 T551 V592 S593 A595	Y545-E549 PolarHBondContact O-N 3.25Å; Y545-E549 VanDerWaalsContact O-N 3.11Å; M546-E549 WeakPolarHBondContact O-CB 3.24Å; M546-E549 PolarHBondContact O-N 3.38Å; I547-E549 VanDerWaalsContact C-N 3.32Å; I547-E549 PolarHBondContact O-N 3Å; E549-T551 VanDerWaalsContact C-N 3.31Å; E549-T551 PolarHBondContact O-N 3.3Å; E549-V592 HydrophobicContact CG-CG1 3.84Å; E549-S593 WeakPolarHBondContact CA-O 3.38Å; E549-A595 WeakPolarHBondContact O-CA 3.21Å; E549-A595 VanDerWaalsContact O-CB 3.25Å; E549-A595 WeakPolarHBondContact O-CB 3.45Å; E549-A595 PolarHBondContact O-N 3.21Å
550	V	94.9	Very high	88.5	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-85	-1.5	178.3	-57.3	0	0	0	0	114	M546 I547 V548 E552 Y761 K775 V778 R779 L780	M546-V550 PolarHBondContact O-N 2.97Å; M546-V550 VanDerWaalsContact O-N 3.07Å; I547-V550 WeakPolarHBondContact O-CG2 3.49Å; I547-V550 PolarHBondContact O-N 2.53Å; V548-V550 PolarHBondContact O-N 2.86Å; V550-E552 PolarHBondContact O-N 2.82Å; V550-Y761 HydrophobicContact CG1-CE2 4.04Å; V550-Y761 HydrophobicContact CG2-CD2 4.08Å; V550-Y761 HydrophobicContact CG2-CE2 4.21Å; V550-K775 HydrophobicContact CG1-CB 3.97Å; V550-V778 WeakPolarHBondContact CB-O 3.1Å; V550-V778 HydrophobicContact CG1-CG1 4.38Å; V550-V778 WeakPolarHBondContact CG1-O 3.19Å; V550-R779 VanDerWaalsContact O-CA 3.23Å; V550-R779 WeakPolarHBondContact O-CA 3.49Å; V550-L780 HydrophobicContact CG2-CD1 4.35Å; V550-L780 HydrophobicContact CG2-CG 4.18Å; V550-L780 PolarHBondContact O-N 3.46Å
551	T	95.9	Very high	87.9	Confident	1 Å²	1	43 Å²	43	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	128.5	-179.1	-67.7	0	0	0	0	110.5	I547 V548 E549 L553 C594 A595 L780 L785 L786	I547-T551 PolarHBondContact O-N 2.91Å; I547-T551 PolarHBondContact O-OG1 3.27Å; V548-T551 WeakPolarHBondContact O-CB 3.34Å; V548-T551 PolarHBondContact O-N 3.4Å; E549-T551 VanDerWaalsContact C-N 3.31Å; E549-T551 PolarHBondContact O-N 3.3Å; T551-L553 HydrophobicContact CG2-CD2 4.03Å; T551-L553 HydrophobicContact CG2-CG 4.21Å; T551-C594 VanDerWaalsContact O-CB 3.3Å; T551-C594 WeakPolarHBondContact O-CB 3.45Å; T551-A595 PolarHBondContact O-N 2.74Å; T551-L780 WeakPolarHBondContact CA-O 3.38Å; T551-L785 HydrophobicContact CG2-CD2 4.06Å; T551-L785 HydrophobicContact CG2-CG 4.48Å; T551-L786 HydrophobicContact CG2-CB 4.45Å
552	E	96.1	Very high	87.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.5	162.9	175.7	179.5	103.8	0	0	108.8	V550 K554 G596 F598 V625 R681 R779 L780 T781	V550-E552 PolarHBondContact O-N 2.82Å; E552-K554 PolarHBondContact O-N 3.41Å; E552-G596 WeakPolarHBondContact CA-O 3.42Å; E552-F598 HydrophobicContact CG-CB 4.19Å; E552-V625 WeakPolarHBondContact OE2-CG2 3.42Å; E552-R681 IonicContact OE1-CZ 3.11Å; E552-R681 IonicContact OE1-NH1 3.94Å; E552-R681 PolarHBondContact OE1-NH1 3.36Å; E552-R681 IonicContact OE1-NH2 2.68Å; E552-R681 IonicContact OE2-CZ 3.6Å; E552-R681 IonicContact OE2-NH1 3.97Å; E552-R681 PolarHBondContact OE2-NH1 3.06Å; E552-R681 IonicContact OE2-NH2 2.78Å; E552-R681 PolarHBondContact OE2-NH2 3.19Å; E552-R779 IonicContact OE2-NH1 2.8Å; E552-L780 PolarHBondContact N-O 2.85Å; E552-T781 PolarHBondContact O-OG1 3.11Å; E552-T781 PolarHBondContact OE1-OG1 3Å
553	L	94.3	Very high	86.8	Confident	14 Å²	14	48.7 Å²	48.7	7%	0.073	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	120.4	-175.8	-80.7	179.1	0	0	0	111.5	T551 L571 L574 A575 C594 G596 V597 F598 L786	T551-L553 HydrophobicContact CG2-CD2 4.03Å; T551-L553 HydrophobicContact CG2-CG 4.21Å; L553-L571 HydrophobicContact CB-CD1 4.05Å; L553-L571 HydrophobicContact CD1-CD1 4.38Å; L553-L574 HydrophobicContact CD1-CD2 4.36Å; L553-L574 HydrophobicContact CD1-CG 4.19Å; L553-A575 HydrophobicContact CD1-CB 3.69Å; L553-C594 HydrophobicContact CD1-CB 4.48Å; L553-C594 HydrophobicContact CG-CB 4.44Å; L553-G596 PolarHBondContact N-O 3.5Å; L553-V597 HydrophobicContact CB-CG1 4.26Å; L553-V597 WeakPolarHBondContact O-CA 3.49Å; L553-F598 PolarHBondContact O-N 2.95Å; L553-L786 HydrophobicContact CD1-CD2 3.89Å; L553-L786 HydrophobicContact CD2-CB 3.64Å; L553-L786 HydrophobicContact CD2-CD2 3.73Å; L553-L786 HydrophobicContact CD2-CG 4.3Å; L553-L786 HydrophobicContact CG-CD2 4.28Å
554	K	90.6	Very high	86.4	Confident	47 Å²	47	52 Å²	52	20%	0.204	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132	174.6	-172.3	168.1	178.6	172.8	0	109.9	E552 F598 Y748	E552-K554 PolarHBondContact O-N 3.41Å; K554-F598 HydrophobicContact CB-CB 4.14Å; K554-F598 HydrophobicContact CD-CB 4.41Å; K554-F598 HydrophobicContact CD-CD1 3.8Å; K554-F598 HydrophobicContact CD-CE1 4.28Å; K554-F598 HydrophobicContact CD-CG 4.14Å; K554-F598 HydrophobicContact CG-CB 4.2Å; K554-F598 HydrophobicContact CG-CD1 3.9Å; K554-F598 HydrophobicContact CG-CG 4.32Å; K554-Y748 HydrophobicContact CD-CD2 4.37Å; K554-Y748 HydrophobicContact CD-CE2 3.99Å
555	R	84.4	Confident	86.2	Confident	57 Å²	57	55.5 Å²	55.5	22%	0.215	28%	0.284	C	S	.	.			trans	-107.7	155.3	169.6	-85.6	-172.6	-177.8	-159.1	6.2	110.4	Y560 E567 L571	R555-Y560 HydrophobicContact CB-CE2 4.35Å; R555-E567 IonicContact CZ-OE2 3.96Å; R555-E567 IonicContact NH1-OE1 2.69Å; R555-E567 IonicContact NH1-OE2 3.75Å; R555-E567 PolarHBondContact NH1-OE2 2.98Å; R555-L571 HydrophobicContact CG-CD1 3.86Å
556	S	78.9	Confident	86.1	Confident	52 Å²	52	60.6 Å²	60.6	36%	0.364	31%	0.307	S	S	.	.			trans	-65.6	142.4	176.1	93.7	0	0	0	0	110.5	E558 R559	S556-E558 WeakPolarHBondContact CB-OE2 3.4Å; S556-E558 PolarHBondContact O-N 3.08Å; S556-E558 PolarHBondContact OG-OE2 3.27Å; S556-R559 PolarHBondContact O-N 3.4Å
557	P	74.5	Confident	86	Confident	86 Å²	86	59.9 Å²	59.9	56%	0.558	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-56.3	-32.7	-178.3	-26.7	35.5	0	0	0	113.7	R559 Y560	P557-R559 PolarHBondContact O-N 3.19Å; P557-R559 VanDerWaalsContact O-N 3.16Å; P557-Y560 PolarHBondContact O-N 2.97Å; P557-Y560 VanDerWaalsContact O-N 3.15Å
558	E	76.7	Confident	85.9	Confident	128 Å²	128	59.9 Å²	59.9	60%	0.598	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-64.6	-22.8	-174.9	-54.5	76.7	-163.4	0	0	113.1	S556 Y560	S556-E558 WeakPolarHBondContact CB-OE2 3.4Å; S556-E558 PolarHBondContact O-N 3.08Å; S556-E558 PolarHBondContact OG-OE2 3.27Å; E558-Y560 VanDerWaalsContact C-N 3.35Å
559	R	78.6	Confident	85.9	Confident	128 Å²	128	63.5 Å²	63.5	48%	0.483	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-68.8	-33.7	177.3	-74.7	-162	175.4	-162.4	2.3	112.6	S556 P557 A561 Q562	S556-R559 PolarHBondContact O-N 3.4Å; P557-R559 PolarHBondContact O-N 3.19Å; P557-R559 VanDerWaalsContact O-N 3.16Å; R559-A561 VanDerWaalsContact C-N 3.28Å; R559-A561 PolarHBondContact O-N 2.93Å; R559-Q562 PolarHBondContact O-N 3.29Å
560	Y	79.8	Confident	85.9	Confident	11 Å²	11	62.3 Å²	62.3	4%	0.043	32%	0.322	C	S	.	.	H	α-helix	trans	-68.5	-28.2	-177.5	-62.3	-74.9	0	0	0	112.4	R555 P557 E558 Q562 N563 E564 E567 V568 L571 L599 P600 V603	R555-Y560 HydrophobicContact CB-CE2 4.35Å; P557-Y560 PolarHBondContact O-N 2.97Å; P557-Y560 VanDerWaalsContact O-N 3.15Å; E558-Y560 VanDerWaalsContact C-N 3.35Å; Y560-Q562 PolarHBondContact O-N 3.22Å; Y560-Q562 VanDerWaalsContact O-N 3.11Å; Y560-N563 PolarHBondContact O-N 2.97Å; Y560-E564 WeakPolarHBondContact O-CG 3.48Å; Y560-E564 PolarHBondContact O-N 3.41Å; Y560-E567 HydrophobicContact CD1-CB 4.05Å; Y560-E567 HydrophobicContact CE1-CB 4.25Å; Y560-V568 HydrophobicContact CD1-CG2 4.31Å; Y560-V568 HydrophobicContact CE1-CG2 4.07Å; Y560-L571 WeakPolarHBondContact OH-CD2 3.49Å; Y560-L599 HydrophobicContact CE1-CD2 4.1Å; Y560-L599 WeakPolarHBondContact OH-CD2 3.33Å; Y560-P600 HydrophobicContact CD2-CG 4.08Å; Y560-P600 HydrophobicContact CE2-CG 4.07Å; Y560-V603 HydrophobicContact CD1-CG2 4.47Å; Y560-V603 HydrophobicContact CE1-CG2 4.45Å
561	A	77	Confident	85.7	Confident	93 Å²	93	62.4 Å²	62.4	77%	0.769	32%	0.322	S	S	*	.	H	α-helix	trans	-60.7	-23.4	-179.7	0	0	0	0	0	114.2	R559	R559-A561 VanDerWaalsContact C-N 3.28Å; R559-A561 PolarHBondContact O-N 2.93Å
562	Q	71.3	Confident	85.6	Confident	173 Å²	173	62.3 Å²	62.3	81%	0.808	32%	0.321	S	S	*	.	H	α-helix	trans	-86.6	-42.8	-177.2	-62	-176.1	3.2	0	0	112.9	R559 Y560	R559-Q562 PolarHBondContact O-N 3.29Å; Y560-Q562 PolarHBondContact O-N 3.22Å; Y560-Q562 VanDerWaalsContact O-N 3.11Å
563	N	82.4	Confident	85.5	Confident	65 Å²	65	64.7 Å²	64.7	35%	0.348	33%	0.334	S	S	.	.	H	α-helix	trans	-164.2	83.8	178.4	-164.8	-43.1	0	0	0	111.5	Y560 D565 K566 E567	Y560-N563 PolarHBondContact O-N 2.97Å; N563-D565 VanDerWaalsContact C-N 3.31Å; N563-D565 PolarHBondContact O-N 3.49Å; N563-K566 HydrophobicContact CB-CB 4.31Å; N563-K566 PolarHBondContact O-N 2.94Å; N563-K566 WeakPolarHBondContact OD1-CG 3.26Å; N563-K566 PolarHBondContact OD1-N 3.02Å; N563-K566 VanDerWaalsContact OD1-N 3.14Å; N563-E567 WeakPolarHBondContact O-CB 3.38Å; N563-E567 VanDerWaalsContact O-CG 3.25Å; N563-E567 WeakPolarHBondContact O-CG 3.42Å; N563-E567 PolarHBondContact O-N 3.17Å
564	E	84.8	Confident	85.3	Confident	79 Å²	79	66.5 Å²	66.5	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-50.2	-47.8	-177.3	-62.6	177.5	175.1	0	0	113.4	Y560 K566 E567 V568 V603 K606	Y560-E564 WeakPolarHBondContact O-CG 3.48Å; Y560-E564 PolarHBondContact O-N 3.41Å; E564-K566 PolarHBondContact O-N 2.89Å; E564-E567 PolarHBondContact O-N 2.85Å; E564-V568 WeakPolarHBondContact O-CB 3.21Å; E564-V568 WeakPolarHBondContact O-CG2 3.32Å; E564-V568 PolarHBondContact O-N 3.22Å; E564-V603 HydrophobicContact CB-CG1 4.05Å; E564-V603 HydrophobicContact CG-CG1 3.99Å; E564-K606 IonicContact OE2-NZ 3.88Å; E564-K606 PolarHBondContact OE2-NZ 2.92Å
565	D	86.6	Confident	85.5	Confident	77 Å²	77	64.3 Å²	64.3	41%	0.412	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-48	-174	-68.9	8.2	0	0	0	111.5	N563 E567 Q569 K606	N563-D565 VanDerWaalsContact C-N 3.31Å; N563-D565 PolarHBondContact O-N 3.49Å; D565-E567 VanDerWaalsContact C-N 3.34Å; D565-Q569 WeakPolarHBondContact O-CB 3.33Å; D565-Q569 WeakPolarHBondContact O-CG 3.42Å; D565-Q569 PolarHBondContact O-N 3.29Å; D565-K606 VanDerWaalsContact OD1-CD 3.26Å; D565-K606 WeakPolarHBondContact OD1-CD 3.5Å; D565-K606 VanDerWaalsContact OD1-CE 3.26Å; D565-K606 WeakPolarHBondContact OD1-CE 3.31Å; D565-K606 IonicContact OD1-NZ 2.79Å; D565-K606 PolarHBondContact OD1-NZ 3.02Å
566	K	89.6	Confident	85.8	Confident	138 Å²	138	61.8 Å²	61.8	60%	0.6	33%	0.325	S	S	*	.	H	α-helix	trans	-66.5	-39	179.1	-73.1	-172.5	-178	-179.9	0	111.8	N563 E564 Q569 A570	N563-K566 HydrophobicContact CB-CB 4.31Å; N563-K566 PolarHBondContact O-N 2.94Å; N563-K566 WeakPolarHBondContact OD1-CG 3.26Å; N563-K566 PolarHBondContact OD1-N 3.02Å; N563-K566 VanDerWaalsContact OD1-N 3.14Å; E564-K566 PolarHBondContact O-N 2.89Å; K566-Q569 PolarHBondContact O-N 3.41Å; K566-A570 WeakPolarHBondContact O-CB 3.47Å; K566-A570 PolarHBondContact O-N 2.95Å
567	E	90.3	Very high	86.3	Confident	39 Å²	39	61.7 Å²	61.7	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-67.8	-44.9	-179.2	-71	-63.8	135.1	0	0	111.7	R555 Y560 N563 E564 D565 A570 L571	R555-E567 IonicContact CZ-OE2 3.96Å; R555-E567 IonicContact NH1-OE1 2.69Å; R555-E567 IonicContact NH1-OE2 3.75Å; R555-E567 PolarHBondContact NH1-OE2 2.98Å; Y560-E567 HydrophobicContact CD1-CB 4.05Å; Y560-E567 HydrophobicContact CE1-CB 4.25Å; N563-E567 WeakPolarHBondContact O-CB 3.38Å; N563-E567 VanDerWaalsContact O-CG 3.25Å; N563-E567 WeakPolarHBondContact O-CG 3.42Å; N563-E567 PolarHBondContact O-N 3.17Å; E564-E567 PolarHBondContact O-N 2.85Å; D565-E567 VanDerWaalsContact C-N 3.34Å; E567-A570 PolarHBondContact O-N 3.14Å; E567-L571 WeakPolarHBondContact O-CB 3.38Å; E567-L571 PolarHBondContact O-N 3.09Å
568	V	92	Very high	87	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-59.7	-48.6	174	169.7	0	0	0	0	110.3	Y560 E564 A570 L571 L572 V603 A607	Y560-V568 HydrophobicContact CD1-CG2 4.31Å; Y560-V568 HydrophobicContact CE1-CG2 4.07Å; E564-V568 WeakPolarHBondContact O-CB 3.21Å; E564-V568 WeakPolarHBondContact O-CG2 3.32Å; E564-V568 PolarHBondContact O-N 3.22Å; V568-A570 PolarHBondContact O-N 2.92Å; V568-L571 PolarHBondContact O-N 3.33Å; V568-L572 HydrophobicContact CG1-CD1 4.02Å; V568-L572 WeakPolarHBondContact O-CB 3.04Å; V568-L572 VanDerWaalsContact O-CD1 3.24Å; V568-L572 WeakPolarHBondContact O-CD1 3.5Å; V568-L572 PolarHBondContact O-N 3.35Å; V568-V603 HydrophobicContact CG2-CB 3.86Å; V568-V603 HydrophobicContact CG2-CG1 4.47Å; V568-V603 HydrophobicContact CG2-CG2 4.07Å; V568-A607 HydrophobicContact CG1-CB 3.61Å
569	Q	93.4	Very high	87.4	Confident	76 Å²	76	52.6 Å²	52.6	36%	0.355	28%	0.275	S	S	.	.	H	α-helix	trans	-60.7	-46.5	179.3	-70.9	174.1	14.7	0	0	112	D565 K566 L571 L572 D573 Y610	D565-Q569 WeakPolarHBondContact O-CB 3.33Å; D565-Q569 WeakPolarHBondContact O-CG 3.42Å; D565-Q569 PolarHBondContact O-N 3.29Å; K566-Q569 PolarHBondContact O-N 3.41Å; Q569-L571 VanDerWaalsContact C-N 3.33Å; Q569-L571 PolarHBondContact O-N 2.87Å; Q569-L572 PolarHBondContact O-N 3.42Å; Q569-D573 VanDerWaalsContact O-CB 3.32Å; Q569-D573 WeakPolarHBondContact O-CB 3.39Å; Q569-D573 PolarHBondContact O-N 2.77Å; Q569-Y610 HydrophobicContact CB-CD1 4.32Å; Q569-Y610 HydrophobicContact CB-CE1 3.82Å; Q569-Y610 HydrophobicContact CB-CE2 4.21Å; Q569-Y610 HydrophobicContact CG-CD1 3.93Å; Q569-Y610 HydrophobicContact CG-CD2 3.67Å; Q569-Y610 HydrophobicContact CG-CE1 3.81Å; Q569-Y610 HydrophobicContact CG-CE2 3.54Å; Q569-Y610 HydrophobicContact CG-CG 3.83Å
570	A	91.4	Very high	86.8	Confident	42 Å²	42	51.4 Å²	51.4	35%	0.347	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-37.6	179	0	0	0	0	0	112.3	K566 E567 V568 L574	K566-A570 WeakPolarHBondContact O-CB 3.47Å; K566-A570 PolarHBondContact O-N 2.95Å; E567-A570 PolarHBondContact O-N 3.14Å; V568-A570 PolarHBondContact O-N 2.92Å; A570-L574 VanDerWaalsContact O-CB 3.31Å; A570-L574 WeakPolarHBondContact O-CB 3.38Å; A570-L574 PolarHBondContact O-N 2.84Å
571	L	92.1	Very high	86.2	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-66.8	-46.2	176.4	-171	66.4	0	0	0	111.5	L553 R555 Y560 E567 V568 Q569 L574 A575 V597 L599	L553-L571 HydrophobicContact CB-CD1 4.05Å; L553-L571 HydrophobicContact CD1-CD1 4.38Å; R555-L571 HydrophobicContact CG-CD1 3.86Å; Y560-L571 WeakPolarHBondContact OH-CD2 3.49Å; E567-L571 WeakPolarHBondContact O-CB 3.38Å; E567-L571 PolarHBondContact O-N 3.09Å; V568-L571 PolarHBondContact O-N 3.33Å; Q569-L571 VanDerWaalsContact C-N 3.33Å; Q569-L571 PolarHBondContact O-N 2.87Å; L571-L574 PolarHBondContact O-N 2.74Å; L571-A575 WeakPolarHBondContact O-CB 3.49Å; L571-A575 PolarHBondContact O-N 3.14Å; L571-V597 HydrophobicContact CD2-CB 4.18Å; L571-V597 HydrophobicContact CD2-CG1 4.24Å; L571-V597 HydrophobicContact CG-CB 4.49Å; L571-V597 HydrophobicContact CG-CG1 4Å; L571-L599 HydrophobicContact CD2-CD2 3.62Å
572	L	93.7	Very high	85.5	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-41.1	178.2	-96.8	74	0	0	0	112	V568 Q569 A575 I576 V597 L599 A607 Y610 R611 F615 L622	V568-L572 HydrophobicContact CG1-CD1 4.02Å; V568-L572 WeakPolarHBondContact O-CB 3.04Å; V568-L572 VanDerWaalsContact O-CD1 3.24Å; V568-L572 WeakPolarHBondContact O-CD1 3.5Å; V568-L572 PolarHBondContact O-N 3.35Å; Q569-L572 PolarHBondContact O-N 3.42Å; L572-A575 PolarHBondContact O-N 2.83Å; L572-I576 WeakPolarHBondContact O-CG2 3.25Å; L572-I576 PolarHBondContact O-N 2.92Å; L572-I576 VanDerWaalsContact O-N 3.1Å; L572-V597 HydrophobicContact CD1-CG2 3.94Å; L572-L599 HydrophobicContact CD1-CD1 4.29Å; L572-A607 HydrophobicContact CD1-CB 4.01Å; L572-A607 HydrophobicContact CD2-CB 4.23Å; L572-A607 WeakPolarHBondContact CD2-O 3.45Å; L572-Y610 HydrophobicContact CB-CD1 4.1Å; L572-Y610 HydrophobicContact CB-CE1 4.23Å; L572-Y610 HydrophobicContact CD2-CD1 3.86Å; L572-R611 HydrophobicContact CD2-CB 4.03Å; L572-F615 HydrophobicContact CB-CE2 4.04Å; L572-F615 HydrophobicContact CD2-CE2 4.37Å; L572-L622 HydrophobicContact CG-CD2 4.13Å
573	D	92.3	Very high	84.7	Confident	49 Å²	49	57.4 Å²	57.4	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-65.5	-39.7	176.7	-72	-22.9	0	0	0	112.2	Q569 I576 S577 Y610 K614 F615	Q569-D573 VanDerWaalsContact O-CB 3.32Å; Q569-D573 WeakPolarHBondContact O-CB 3.39Å; Q569-D573 PolarHBondContact O-N 2.77Å; D573-I576 WeakPolarHBondContact O-CG2 3.31Å; D573-S577 PolarHBondContact O-N 2.78Å; D573-Y610 PolarHBondContact OD1-OH 3.07Å; D573-Y610 PolarHBondContact OD2-OH 3.46Å; D573-K614 WeakPolarHBondContact OD1-CD 3.25Å; D573-K614 VanDerWaalsContact OD1-CE 3.31Å; D573-K614 WeakPolarHBondContact OD1-CE 3.49Å; D573-K614 IonicContact OD1-NZ 3.51Å; D573-K614 PolarHBondContact OD1-NZ 3.43Å; D573-K614 IonicContact OD2-NZ 2.85Å; D573-K614 PolarHBondContact OD2-NZ 3.43Å; D573-F615 VanDerWaalsContact OD1-CZ 3.27Å; D573-F615 WeakPolarHBondContact OD1-CZ 3.29Å
574	L	92	Very high	83.4	Confident	53 Å²	53	55.4 Å²	55.4	28%	0.277	28%	0.281	S	S	.	.	H	α-helix	trans	-67.5	-41.1	174.8	-178.8	63.1	0	0	0	111.6	L553 A570 L571 S577 P578 L786	L553-L574 HydrophobicContact CD1-CD2 4.36Å; L553-L574 HydrophobicContact CD1-CG 4.19Å; A570-L574 VanDerWaalsContact O-CB 3.31Å; A570-L574 WeakPolarHBondContact O-CB 3.38Å; A570-L574 PolarHBondContact O-N 2.84Å; L571-L574 PolarHBondContact O-N 2.74Å; L574-S577 CarbonylContact O-C 3.43Å; L574-S577 VanDerWaalsContact O-C 3.28Å; L574-S577 PolarHBondContact O-N 3.06Å; L574-P578 WeakPolarHBondContact O-CA 3.43Å; L574-L786 HydrophobicContact CD1-CD2 4.22Å; L574-L786 HydrophobicContact CD2-CD2 4.18Å; L574-L786 HydrophobicContact CG-CD2 3.96Å
575	A	93.3	Very high	81.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.6	-40.6	-178.4	0	0	0	0	0	112.9	L553 L571 L572 C594 V597 L622	L553-A575 HydrophobicContact CD1-CB 3.69Å; L571-A575 WeakPolarHBondContact O-CB 3.49Å; L571-A575 PolarHBondContact O-N 3.14Å; L572-A575 PolarHBondContact O-N 2.83Å; A575-C594 HydrophobicContact CB-CB 4.21Å; A575-C594 PolarHBondContact O-N 3.16Å; A575-V597 HydrophobicContact CB-CG1 3.5Å; A575-V597 VanDerWaalsContact CB-CG1 3.5Å; A575-L622 HydrophobicContact CB-CD1 3.56Å; A575-L622 HydrophobicContact CB-CD2 3.88Å; A575-L622 HydrophobicContact CB-CG 4.38Å
576	I	91.3	Very high	80.5	Confident	4 Å²	4	62.5 Å²	62.5	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-78.2	-22.2	-178.7	-158.2	66.9	0	0	0	112.7	L572 D573 F615 L618 R620 L622	L572-I576 WeakPolarHBondContact O-CG2 3.25Å; L572-I576 PolarHBondContact O-N 2.92Å; L572-I576 VanDerWaalsContact O-N 3.1Å; D573-I576 WeakPolarHBondContact O-CG2 3.31Å; I576-F615 HydrophobicContact CB-CE1 4.48Å; I576-F615 HydrophobicContact CB-CE2 4.44Å; I576-F615 HydrophobicContact CB-CZ 4.24Å; I576-F615 HydrophobicContact CG2-CD1 4.43Å; I576-F615 HydrophobicContact CG2-CE1 3.69Å; I576-F615 HydrophobicContact CG2-CE2 4.27Å; I576-F615 HydrophobicContact CG2-CZ 3.6Å; I576-L618 HydrophobicContact CG1-CD1 3.97Å; I576-R620 HydrophobicContact CD1-CB 3.76Å; I576-R620 PolarHBondContact O-NH1 3.37Å; I576-R620 VanDerWaalsContact O-NH1 3.14Å; I576-L622 HydrophobicContact CD1-CB 4.19Å
577	S	89.2	Confident	78.9	Confident	51 Å²	51	64.2 Å²	64.2	36%	0.357	32%	0.324	S	S	.	.			trans	-144.3	69.9	-178.4	-63.9	0	0	0	0	110.3	D573 L574 L579	D573-S577 PolarHBondContact O-N 2.78Å; L574-S577 CarbonylContact O-C 3.43Å; L574-S577 VanDerWaalsContact O-C 3.28Å; L574-S577 PolarHBondContact O-N 3.06Å; S577-L579 PolarHBondContact O-N 3.25Å
578	P	89.5	Confident	77.4	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.342	C	S	.	.			trans	-71.3	-13.3	-174.1	25.6	-32.4	0	0	0	114.4	V548 L574 P580 V592 L786 L790	V548-P578 HydrophobicContact CG1-CB 3.95Å; V548-P578 HydrophobicContact CG1-CG 3.46Å; V548-P578 VanDerWaalsContact CG1-CG 3.46Å; L574-P578 WeakPolarHBondContact O-CA 3.43Å; P578-P580 WeakPolarHBondContact O-CD 2.99Å; P578-V592 VanDerWaalsContact CD-O 3.28Å; P578-V592 WeakPolarHBondContact CD-O 3.46Å; P578-L786 HydrophobicContact CB-CD1 4.07Å; P578-L786 HydrophobicContact CB-CD2 3.94Å; P578-L790 WeakPolarHBondContact O-CD1 3.41Å; P578-L790 WeakPolarHBondContact O-CD2 3.48Å
579	L	84.1	Confident	75.9	Confident	23 Å²	23	65.7 Å²	65.7	12%	0.12	34%	0.343	C	S	.	.			trans	-117.5	59.6	-170.8	-55.4	165.5	0	0	0	112.7	Y545 S577 I582 A589 V592 L790 L793	Y545-L579 HydrophobicContact CD1-CD1 4.03Å; Y545-L579 HydrophobicContact CE1-CD1 3.84Å; S577-L579 PolarHBondContact O-N 3.25Å; L579-I582 HydrophobicContact CD2-CD1 3.51Å; L579-I582 HydrophobicContact CD2-CG1 4.28Å; L579-A589 VanDerWaalsContact CD1-O 3.28Å; L579-A589 WeakPolarHBondContact CD1-O 3.41Å; L579-V592 HydrophobicContact CD1-CB 3.94Å; L579-V592 HydrophobicContact CD1-CG1 4.17Å; L579-V592 HydrophobicContact CD1-CG2 4.47Å; L579-L790 HydrophobicContact CD2-CD2 3.28Å; L579-L790 HydrophobicContact CG-CD2 4.38Å; L579-L793 HydrophobicContact CD2-CD1 3.99Å
580	P	67.9	Low	74.5	Confident	102 Å²	102	68.5 Å²	68.5	66%	0.662	36%	0.357	S	S	*	.	S	Bend	trans	-71.8	-35.4	-175.9	28.2	-34	0	0	0	113.9	P578	P578-P580 WeakPolarHBondContact O-CD 2.99Å
581	D	66.2	Low	73.8	Confident	136 Å²	136	73 Å²	73	73%	0.727	37%	0.371	S	S	*	.	S	Bend	trans	-107.7	-4.3	-168.9	-66.4	-45.6	0	0	0	114.1	R583	D581-R583 PolarHBondContact O-N 2.86Å
582	I	61.7	Low	73.5	Confident	22 Å²	22	73.3 Å²	73.3	11%	0.113	37%	0.373	C	S	.	.			trans	-79.4	112.2	179.1	-50.4	-164.8	0	0	0	108.5	L579 T584 L790 L793 E794	L579-I582 HydrophobicContact CD2-CD1 3.51Å; L579-I582 HydrophobicContact CD2-CG1 4.28Å; I582-T584 HydrophobicContact CB-CG2 4.48Å; I582-T584 HydrophobicContact CG2-CG2 3.81Å; I582-T584 PolarHBondContact O-N 2.64Å; I582-L790 HydrophobicContact CD1-CD2 4.3Å; I582-L793 HydrophobicContact CD1-CB 3.66Å; I582-L793 HydrophobicContact CD1-CD1 4.21Å; I582-E794 HydrophobicContact CD1-CG 4.38Å; I582-E794 HydrophobicContact CG1-CG 4.33Å
583	R	54.3	Low	73.3	Confident	245 Å²	245	74.4 Å²	74.4	93%	0.925	38%	0.38	S	S	*	.			trans	-63.4	97.2	170.7	-78.8	-176.5	171.8	-175.5	-1.5	109.2	D581	D581-R583 PolarHBondContact O-N 2.86Å
584	T	55.1	Low	73.4	Confident	23 Å²	23	72 Å²	72	14%	0.141	37%	0.368	C	S	.	.			trans	-110.2	124.5	169	54.2	0	0	0	0	108.6	Y545 I582 E586 A589	Y545-T584 VanDerWaalsContact OH-CG2 3.31Å; Y545-T584 WeakPolarHBondContact OH-CG2 3.45Å; I582-T584 HydrophobicContact CB-CG2 4.48Å; I582-T584 HydrophobicContact CG2-CG2 3.81Å; I582-T584 PolarHBondContact O-N 2.64Å; T584-E586 PolarHBondContact O-N 3.26Å; T584-A589 HydrophobicContact CG2-CB 3.64Å; T584-A589 WeakPolarHBondContact OG1-CB 3.42Å
585	D	54.1	Low	73.5	Confident	179 Å²	179	70.7 Å²	70.7	96%	0.957	36%	0.364	S	S	*	.	S	Bend	trans	-72.2	-6	170.1	-71.2	-31	0	0	0	111.4
586	E	57	Low	73.6	Confident	126 Å²	126	70.7 Å²	70.7	59%	0.589	36%	0.364	S	S	*	.			trans	-96.9	115.2	-175.9	-65.3	-178.3	168.7	0	0	111.4	T584 A588 A589	T584-E586 PolarHBondContact O-N 3.26Å; E586-A588 PolarHBondContact O-N 3.24Å; E586-A588 VanDerWaalsContact O-N 3.12Å; E586-A589 HydrophobicContact CB-CB 4.41Å; E586-A589 PolarHBondContact O-N 3.24Å; E586-A589 VanDerWaalsContact O-N 3.09Å
587	K	56.6	Low	73.8	Confident	174 Å²	174	70.5 Å²	70.5	76%	0.757	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-50.7	-34.1	169.4	-78.2	-175.5	176.5	179.8	0	112.6	A589 Q590	K587-A589 VanDerWaalsContact C-N 3.34Å; K587-A589 PolarHBondContact O-N 3.48Å; K587-Q590 PolarHBondContact O-N 3.4Å
588	A	58.7	Low	74.1	Confident	66 Å²	66	68.8 Å²	68.8	55%	0.545	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-60.5	-40.7	179.6	0	0	0	0	0	112.5	E586 Q590 E591	E586-A588 PolarHBondContact O-N 3.24Å; E586-A588 VanDerWaalsContact O-N 3.12Å; A588-Q590 VanDerWaalsContact C-N 3.26Å; A588-Q590 PolarHBondContact O-N 3.4Å; A588-E591 PolarHBondContact O-N 2.94Å; A588-E591 VanDerWaalsContact O-N 3.07Å
589	A	59.7	Low	74.2	Confident	5 Å²	5	68.8 Å²	68.8	4%	0.041	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-67.7	-25.4	179.4	0	0	0	0	0	113.1	Y545 L579 T584 E586 K587 E591	Y545-A589 HydrophobicContact CE1-CB 4.19Å; L579-A589 VanDerWaalsContact CD1-O 3.28Å; L579-A589 WeakPolarHBondContact CD1-O 3.41Å; T584-A589 HydrophobicContact CG2-CB 3.64Å; T584-A589 WeakPolarHBondContact OG1-CB 3.42Å; E586-A589 HydrophobicContact CB-CB 4.41Å; E586-A589 PolarHBondContact O-N 3.24Å; E586-A589 VanDerWaalsContact O-N 3.09Å; K587-A589 VanDerWaalsContact C-N 3.34Å; K587-A589 PolarHBondContact O-N 3.48Å; A589-E591 VanDerWaalsContact C-N 3.25Å; A589-E591 PolarHBondContact O-N 3.11Å
590	Q	65	Low	74.6	Confident	135 Å²	135	70.2 Å²	70.2	63%	0.631	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-75.4	-15.2	174.5	-64.3	-175.7	-8.3	0	0	113.1	K587 A588 R620	K587-Q590 PolarHBondContact O-N 3.4Å; A588-Q590 VanDerWaalsContact C-N 3.26Å; A588-Q590 PolarHBondContact O-N 3.4Å; Q590-R620 PolarHBondContact O-NH1 2.87Å
591	E	76.4	Confident	75.6	Confident	137 Å²	137	67.4 Å²	67.4	64%	0.64	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-15.7	179.9	-67.1	-178.6	177.8	0	0	112.9	A588 A589 S593	A588-E591 PolarHBondContact O-N 2.94Å; A588-E591 VanDerWaalsContact O-N 3.07Å; A589-E591 VanDerWaalsContact C-N 3.25Å; A589-E591 PolarHBondContact O-N 3.11Å; E591-S593 PolarHBondContact O-N 3.09Å
592	V	85.2	Confident	76.6	Confident	10 Å²	10	64.3 Å²	64.3	6%	0.061	34%	0.339	C	S	.	.			trans	-57.8	126.1	177.9	175.9	0	0	0	0	110.3	V548 E549 P578 L579	V548-V592 HydrophobicContact CB-CG1 3.96Å; V548-V592 HydrophobicContact CG1-CG1 3.61Å; E549-V592 HydrophobicContact CG-CG1 3.84Å; P578-V592 VanDerWaalsContact CD-O 3.28Å; P578-V592 WeakPolarHBondContact CD-O 3.46Å; L579-V592 HydrophobicContact CD1-CB 3.94Å; L579-V592 HydrophobicContact CD1-CG1 4.17Å; L579-V592 HydrophobicContact CD1-CG2 4.47Å
593	S	90.4	Very high	78	Confident	22 Å²	22	63.5 Å²	63.5	15%	0.154	34%	0.335	C	S	.	.			trans	-134	150.6	174.6	59.9	0	0	0	0	110.1	E549 E591	E549-S593 WeakPolarHBondContact CA-O 3.38Å; E591-S593 PolarHBondContact O-N 3.09Å
594	C	94	Very high	79.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.291	C	S	.	.			trans	-61.4	148.9	171.1	-65.1	0	0	0	0	111.4	V548 T551 L553 A575 G596 L622	V548-C594 WeakPolarHBondContact O-CA 3.29Å; T551-C594 VanDerWaalsContact O-CB 3.3Å; T551-C594 WeakPolarHBondContact O-CB 3.45Å; L553-C594 HydrophobicContact CD1-CB 4.48Å; L553-C594 HydrophobicContact CG-CB 4.44Å; A575-C594 HydrophobicContact CB-CB 4.21Å; A575-C594 PolarHBondContact O-N 3.16Å; C594-G596 PolarHBondContact O-N 3.42Å; C594-L622 WeakPolarHBondContact O-CD1 3.44Å
595	A	93.9	Very high	81.4	Confident	25 Å²	25	56.6 Å²	56.6	21%	0.207	31%	0.31	C	S	.	.	S	Bend	trans	-60.1	-33.5	179	0	0	0	0	0	113.1	E549 T551 G623 R779	E549-A595 WeakPolarHBondContact O-CA 3.21Å; E549-A595 VanDerWaalsContact O-CB 3.25Å; E549-A595 WeakPolarHBondContact O-CB 3.45Å; E549-A595 PolarHBondContact O-N 3.21Å; T551-A595 PolarHBondContact O-N 2.74Å; A595-G623 PolarHBondContact O-N 3.42Å; A595-G623 VanDerWaalsContact O-N 3.17Å; A595-R779 HydrophobicContact CB-CG 4.34Å
596	G	94.9	Very high	83.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	178.4	-176.6	0	0	0	0	0	114.8	E552 L553 C594 G623	E552-G596 WeakPolarHBondContact CA-O 3.42Å; L553-G596 PolarHBondContact N-O 3.5Å; C594-G596 PolarHBondContact O-N 3.42Å; G596-G623 CarbonylContact C-O 3.56Å; G596-G623 WeakPolarHBondContact CA-O 3.27Å
597	V	95.7	Very high	84.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.5	173.5	-68.1	0	0	0	0	109.4	L553 L571 L572 A575 L599 L622 G623 I624 V625	L553-V597 HydrophobicContact CB-CG1 4.26Å; L553-V597 WeakPolarHBondContact O-CA 3.49Å; L571-V597 HydrophobicContact CD2-CB 4.18Å; L571-V597 HydrophobicContact CD2-CG1 4.24Å; L571-V597 HydrophobicContact CG-CB 4.49Å; L571-V597 HydrophobicContact CG-CG1 4Å; L572-V597 HydrophobicContact CD1-CG2 3.94Å; A575-V597 HydrophobicContact CB-CG1 3.5Å; A575-V597 VanDerWaalsContact CB-CG1 3.5Å; V597-L599 HydrophobicContact CB-CG 4.49Å; V597-L599 HydrophobicContact CG2-CD1 4.05Å; V597-L599 HydrophobicContact CG2-CG 4.27Å; V597-L622 HydrophobicContact CG1-CD1 4.38Å; V597-L622 HydrophobicContact CG1-CD2 4.31Å; V597-G623 PolarHBondContact N-O 3.01Å; V597-I624 HydrophobicContact CG2-CG1 4.17Å; V597-V625 PolarHBondContact O-N 2.82Å
598	F	95	Very high	86.6	Confident	15 Å²	15	37.5 Å²	37.5	7%	0.066	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.3	172.2	-174.4	-80.4	0	0	0	109.7	E552 L553 K554 V625 E627 A647	E552-F598 HydrophobicContact CG-CB 4.19Å; L553-F598 PolarHBondContact O-N 2.95Å; K554-F598 HydrophobicContact CB-CB 4.14Å; K554-F598 HydrophobicContact CD-CB 4.41Å; K554-F598 HydrophobicContact CD-CD1 3.8Å; K554-F598 HydrophobicContact CD-CE1 4.28Å; K554-F598 HydrophobicContact CD-CG 4.14Å; K554-F598 HydrophobicContact CG-CB 4.2Å; K554-F598 HydrophobicContact CG-CD1 3.9Å; K554-F598 HydrophobicContact CG-CG 4.32Å; F598-V625 WeakPolarHBondContact CA-O 3.46Å; F598-V625 HydrophobicContact CD2-CB 4.24Å; F598-V625 HydrophobicContact CD2-CG1 3.94Å; F598-V625 HydrophobicContact CE2-CG1 4.41Å; F598-E627 HydrophobicContact CE2-CB 4.28Å; F598-E627 HydrophobicContact CZ-CB 3.7Å; F598-E627 WeakPolarHBondContact CZ-OE2 3.22Å; F598-A647 HydrophobicContact CE2-CB 4.13Å
599	L	93.2	Very high	88.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.8	-172.5	-67.6	175	0	0	0	111.2	Y560 L571 L572 V597 V603 A607 I624 V625 T626	Y560-L599 HydrophobicContact CE1-CD2 4.1Å; Y560-L599 WeakPolarHBondContact OH-CD2 3.33Å; L571-L599 HydrophobicContact CD2-CD2 3.62Å; L572-L599 HydrophobicContact CD1-CD1 4.29Å; V597-L599 HydrophobicContact CB-CG 4.49Å; V597-L599 HydrophobicContact CG2-CD1 4.05Å; V597-L599 HydrophobicContact CG2-CG 4.27Å; L599-V603 HydrophobicContact CB-CG2 4.14Å; L599-V603 HydrophobicContact CD2-CG2 4.38Å; L599-A607 HydrophobicContact CD1-CB 3.28Å; L599-I624 HydrophobicContact CD1-CG2 4.32Å; L599-V625 PolarHBondContact N-O 3.46Å; L599-T626 WeakPolarHBondContact O-CA 3.5Å; L599-T626 PolarHBondContact O-OG1 3.24Å
600	P	90.8	Very high	89.8	Confident	52 Å²	52	41 Å²	41	34%	0.338	22%	0.22	S	C	.	.			trans	-59.7	147.5	166.2	-21.9	32.6	0	0	0	112.2	Y560 G602 V603 A604	Y560-P600 HydrophobicContact CD2-CG 4.08Å; Y560-P600 HydrophobicContact CE2-CG 4.07Å; P600-G602 VanDerWaalsContact C-N 3.3Å; P600-G602 PolarHBondContact O-N 2.88Å; P600-V603 HydrophobicContact CB-CG2 4.32Å; P600-V603 HydrophobicContact CG-CG2 4.43Å; P600-V603 WeakPolarHBondContact O-CG2 3.5Å; P600-V603 PolarHBondContact O-N 2.94Å; P600-V603 VanDerWaalsContact O-N 3.09Å; P600-A604 PolarHBondContact O-N 2.89Å
601	L	89.2	Confident	91.1	Very high	43 Å²	43	36.6 Å²	36.6	23%	0.225	20%	0.197	C	C	.	.	H	α-helix	trans	-54.7	-43.2	-176.4	-176.7	63.1	0	0	0	113.2	V603 A604 T626 L628 D638 V639	L601-V603 PolarHBondContact O-N 2.96Å; L601-A604 WeakPolarHBondContact O-CB 3.46Å; L601-A604 PolarHBondContact O-N 2.76Å; L601-A604 VanDerWaalsContact O-N 3.11Å; L601-T626 WeakPolarHBondContact CA-OG1 3.43Å; L601-T626 HydrophobicContact CD1-CG2 3.98Å; L601-T626 PolarHBondContact N-OG1 3.21Å; L601-L628 HydrophobicContact CD2-CD2 4.04Å; L601-D638 HydrophobicContact CD2-CB 4.13Å; L601-V639 HydrophobicContact CD1-CG2 4.21Å
602	G	87.3	Confident	91.6	Very high	71 Å²	71	35.7 Å²	35.7	73%	0.732	19%	0.191	S	C	*	.	H	α-helix	trans	-59.7	-21.4	-178.6	0	0	0	0	0	115	P600	P600-G602 VanDerWaalsContact C-N 3.3Å; P600-G602 PolarHBondContact O-N 2.88Å
603	V	91.1	Very high	91.7	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-107.4	-7.8	179.1	-59.9	0	0	0	0	113.7	Y560 E564 V568 L599 P600 L601 K605 K606 A607	Y560-V603 HydrophobicContact CD1-CG2 4.47Å; Y560-V603 HydrophobicContact CE1-CG2 4.45Å; E564-V603 HydrophobicContact CB-CG1 4.05Å; E564-V603 HydrophobicContact CG-CG1 3.99Å; V568-V603 HydrophobicContact CG2-CB 3.86Å; V568-V603 HydrophobicContact CG2-CG1 4.47Å; V568-V603 HydrophobicContact CG2-CG2 4.07Å; L599-V603 HydrophobicContact CB-CG2 4.14Å; L599-V603 HydrophobicContact CD2-CG2 4.38Å; P600-V603 HydrophobicContact CB-CG2 4.32Å; P600-V603 HydrophobicContact CG-CG2 4.43Å; P600-V603 WeakPolarHBondContact O-CG2 3.5Å; P600-V603 PolarHBondContact O-N 2.94Å; P600-V603 VanDerWaalsContact O-N 3.09Å; L601-V603 PolarHBondContact O-N 2.96Å; V603-K605 VanDerWaalsContact C-N 3.3Å; V603-K605 PolarHBondContact O-N 2.69Å; V603-K606 WeakPolarHBondContact O-CB 3.49Å; V603-K606 PolarHBondContact O-N 2.9Å; V603-K606 VanDerWaalsContact O-N 3.13Å; V603-A607 PolarHBondContact O-N 3.41Å; V603-A607 VanDerWaalsContact O-N 3.16Å
604	A	91.1	Very high	91.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-40.6	-177.3	0	0	0	0	0	112.5	P600 L601 K606 A607 I608 P640	P600-A604 PolarHBondContact O-N 2.89Å; L601-A604 WeakPolarHBondContact O-CB 3.46Å; L601-A604 PolarHBondContact O-N 2.76Å; L601-A604 VanDerWaalsContact O-N 3.11Å; A604-K606 VanDerWaalsContact C-N 3.34Å; A604-K606 PolarHBondContact O-N 3.38Å; A604-A607 WeakPolarHBondContact O-CB 3.12Å; A604-A607 PolarHBondContact O-N 3.1Å; A604-I608 WeakPolarHBondContact O-CD1 3.27Å; A604-I608 WeakPolarHBondContact O-CG1 3.36Å; A604-I608 PolarHBondContact O-N 2.91Å; A604-P640 HydrophobicContact CB-CG 4.19Å
605	K	90.9	Very high	91	Very high	123 Å²	123	48 Å²	48	54%	0.535	24%	0.241	S	C	.	.	H	α-helix	trans	-58.3	-44.4	177.6	-174.2	176.7	179	177.6	0	112.2	V603 A607 I608 E609 P640	V603-K605 VanDerWaalsContact C-N 3.3Å; V603-K605 PolarHBondContact O-N 2.69Å; K605-A607 VanDerWaalsContact C-N 3.34Å; K605-A607 PolarHBondContact O-N 2.85Å; K605-I608 PolarHBondContact O-N 3.18Å; K605-E609 WeakPolarHBondContact CE-OE1 3.37Å; K605-E609 WeakPolarHBondContact O-CG 3.31Å; K605-E609 PolarHBondContact O-N 2.88Å; K605-P640 HydrophobicContact CB-CB 4.09Å; K605-P640 HydrophobicContact CB-CG 3.87Å
606	K	91.5	Very high	90.2	Very high	72 Å²	72	54.7 Å²	54.7	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-40.3	178.5	-64.3	175.3	172	-172.7	0	111.4	E564 D565 V603 A604 E609 Y610	E564-K606 IonicContact OE2-NZ 3.88Å; E564-K606 PolarHBondContact OE2-NZ 2.92Å; D565-K606 VanDerWaalsContact OD1-CD 3.26Å; D565-K606 WeakPolarHBondContact OD1-CD 3.5Å; D565-K606 VanDerWaalsContact OD1-CE 3.26Å; D565-K606 WeakPolarHBondContact OD1-CE 3.31Å; D565-K606 IonicContact OD1-NZ 2.79Å; D565-K606 PolarHBondContact OD1-NZ 3.02Å; V603-K606 WeakPolarHBondContact O-CB 3.49Å; V603-K606 PolarHBondContact O-N 2.9Å; V603-K606 VanDerWaalsContact O-N 3.13Å; A604-K606 VanDerWaalsContact C-N 3.34Å; A604-K606 PolarHBondContact O-N 3.38Å; K606-E609 PolarHBondContact O-N 3.46Å; K606-Y610 WeakPolarHBondContact O-CB 3.5Å; K606-Y610 PolarHBondContact O-N 2.6Å
607	A	93.4	Very high	89.2	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-43.4	176.1	0	0	0	0	0	111.9	V568 L572 L599 V603 A604 K605 Y610 R611 I624	V568-A607 HydrophobicContact CG1-CB 3.61Å; L572-A607 HydrophobicContact CD1-CB 4.01Å; L572-A607 HydrophobicContact CD2-CB 4.23Å; L572-A607 WeakPolarHBondContact CD2-O 3.45Å; L599-A607 HydrophobicContact CD1-CB 3.28Å; V603-A607 PolarHBondContact O-N 3.41Å; V603-A607 VanDerWaalsContact O-N 3.16Å; A604-A607 WeakPolarHBondContact O-CB 3.12Å; A604-A607 PolarHBondContact O-N 3.1Å; K605-A607 VanDerWaalsContact C-N 3.34Å; K605-A607 PolarHBondContact O-N 2.85Å; A607-Y610 PolarHBondContact O-N 2.88Å; A607-R611 VanDerWaalsContact O-CB 3.3Å; A607-R611 WeakPolarHBondContact O-CB 3.49Å; A607-R611 PolarHBondContact O-N 3.39Å; A607-I624 HydrophobicContact CB-CD1 4Å
608	I	91.8	Very high	88.1	Confident	7 Å²	7	61.6 Å²	61.6	4%	0.036	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-46.7	177.3	-66.6	158.7	0	0	0	110.9	A604 K605 Y610 R611 K612 I624 P640	A604-I608 WeakPolarHBondContact O-CD1 3.27Å; A604-I608 WeakPolarHBondContact O-CG1 3.36Å; A604-I608 PolarHBondContact O-N 2.91Å; K605-I608 PolarHBondContact O-N 3.18Å; I608-Y610 VanDerWaalsContact C-N 3.34Å; I608-Y610 PolarHBondContact O-N 2.98Å; I608-R611 PolarHBondContact O-N 3.35Å; I608-K612 HydrophobicContact CG2-CD 4.08Å; I608-K612 WeakPolarHBondContact O-CB 3.3Å; I608-K612 WeakPolarHBondContact O-CG 3.42Å; I608-K612 PolarHBondContact O-N 3.1Å; I608-I624 HydrophobicContact CB-CD1 4.31Å; I608-I624 HydrophobicContact CG1-CD1 3.59Å; I608-I624 HydrophobicContact CG1-CG2 4.5Å; I608-P640 HydrophobicContact CD1-CB 3.78Å
609	E	91.5	Very high	86.9	Confident	112 Å²	112	68.6 Å²	68.6	52%	0.523	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-43	177.2	-73.6	177.4	-170.3	0	0	111.7	K605 K606 K613	K605-E609 WeakPolarHBondContact CE-OE1 3.37Å; K605-E609 WeakPolarHBondContact O-CG 3.31Å; K605-E609 PolarHBondContact O-N 2.88Å; K606-E609 PolarHBondContact O-N 3.46Å; E609-K613 VanDerWaalsContact O-CB 3.3Å; E609-K613 WeakPolarHBondContact O-CB 3.22Å; E609-K613 PolarHBondContact O-N 3.28Å
610	Y	93	Very high	86	Confident	33 Å²	33	71.7 Å²	71.7	13%	0.129	36%	0.363	C	S	.	.	H	α-helix	trans	-67.1	-45.5	177.3	-174.1	-113.6	0	0	0	112.5	Q569 L572 D573 K606 A607 I608 K612 K613 K614 F615	Q569-Y610 HydrophobicContact CB-CD1 4.32Å; Q569-Y610 HydrophobicContact CB-CE1 3.82Å; Q569-Y610 HydrophobicContact CB-CE2 4.21Å; Q569-Y610 HydrophobicContact CG-CD1 3.93Å; Q569-Y610 HydrophobicContact CG-CD2 3.67Å; Q569-Y610 HydrophobicContact CG-CE1 3.81Å; Q569-Y610 HydrophobicContact CG-CE2 3.54Å; Q569-Y610 HydrophobicContact CG-CG 3.83Å; L572-Y610 HydrophobicContact CB-CD1 4.1Å; L572-Y610 HydrophobicContact CB-CE1 4.23Å; L572-Y610 HydrophobicContact CD2-CD1 3.86Å; D573-Y610 PolarHBondContact OD1-OH 3.07Å; D573-Y610 PolarHBondContact OD2-OH 3.46Å; K606-Y610 WeakPolarHBondContact O-CB 3.5Å; K606-Y610 PolarHBondContact O-N 2.6Å; A607-Y610 PolarHBondContact O-N 2.88Å; I608-Y610 VanDerWaalsContact C-N 3.34Å; I608-Y610 PolarHBondContact O-N 2.98Å; Y610-K612 VanDerWaalsContact C-N 3.34Å; Y610-K612 PolarHBondContact O-N 2.95Å; Y610-K613 PolarHBondContact O-N 3.49Å; Y610-K613 VanDerWaalsContact O-N 3.1Å; Y610-K614 HydrophobicContact CE1-CD 3.83Å; Y610-K614 HydrophobicContact CE2-CB 4.34Å; Y610-K614 HydrophobicContact CE2-CD 3.91Å; Y610-K614 WeakPolarHBondContact O-CB 3.38Å; Y610-K614 PolarHBondContact O-N 3.2Å; Y610-K614 WeakPolarHBondContact OH-CD 3.44Å; Y610-K614 PolarHBondContact OH-NZ 3.31Å; Y610-F615 HydrophobicContact CE1-CZ 4.34Å
611	R	92.2	Very high	85.4	Confident	42 Å²	42	77.4 Å²	77.4	16%	0.158	38%	0.383	C	S	.	.	H	α-helix	trans	-55.6	-48.7	174.8	179.9	177.7	69.9	169.9	-1.4	110.9	L572 A607 I608 K613 F615 L622 I624 G642 D644	L572-R611 HydrophobicContact CD2-CB 4.03Å; A607-R611 VanDerWaalsContact O-CB 3.3Å; A607-R611 WeakPolarHBondContact O-CB 3.49Å; A607-R611 PolarHBondContact O-N 3.39Å; I608-R611 PolarHBondContact O-N 3.35Å; R611-K613 VanDerWaalsContact C-N 3.32Å; R611-K613 PolarHBondContact O-N 2.93Å; R611-F615 HydrophobicContact CB-CD2 4.33Å; R611-F615 HydrophobicContact CG-CD2 4.12Å; R611-F615 WeakPolarHBondContact O-CA 3.43Å; R611-F615 WeakPolarHBondContact O-CB 3.43Å; R611-F615 PolarHBondContact O-N 3.04Å; R611-L622 PolarHBondContact NH1-O 2.94Å; R611-I624 HydrophobicContact CB-CD1 4.38Å; R611-G642 PolarHBondContact NH2-O 3.19Å; R611-D644 IonicContact CZ-OD2 2.86Å; R611-D644 IonicContact NH1-OD1 3.14Å; R611-D644 IonicContact NH1-OD2 2.76Å; R611-D644 PolarHBondContact NH1-OD2 3.17Å; R611-D644 IonicContact NH2-OD2 3.78Å
612	K	87.7	Confident	85.4	Confident	118 Å²	118	75.5 Å²	75.5	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-63.3	-34.8	176.5	-74	178.1	178.9	177.5	0	112.5	I608 Y610 F616	I608-K612 HydrophobicContact CG2-CD 4.08Å; I608-K612 WeakPolarHBondContact O-CB 3.3Å; I608-K612 WeakPolarHBondContact O-CG 3.42Å; I608-K612 PolarHBondContact O-N 3.1Å; Y610-K612 VanDerWaalsContact C-N 3.34Å; Y610-K612 PolarHBondContact O-N 2.95Å; K612-F616 WeakPolarHBondContact O-CB 3.32Å
613	K	88.1	Confident	85.7	Confident	172 Å²	172	72.4 Å²	72.4	75%	0.748	34%	0.341	S	S	*	.	H	α-helix	trans	-77	-42.3	-179.7	-176.1	-179.9	177	-176.4	0	113	E609 Y610 R611	E609-K613 VanDerWaalsContact O-CB 3.3Å; E609-K613 WeakPolarHBondContact O-CB 3.22Å; E609-K613 PolarHBondContact O-N 3.28Å; Y610-K613 PolarHBondContact O-N 3.49Å; Y610-K613 VanDerWaalsContact O-N 3.1Å; R611-K613 VanDerWaalsContact C-N 3.32Å; R611-K613 PolarHBondContact O-N 2.93Å
614	K	85.6	Confident	85.8	Confident	100 Å²	100	72.1 Å²	72.1	44%	0.435	34%	0.339	S	S	.	.	H	α-helix	trans	-96.6	-36.5	-169.8	-169.1	171.6	-179.7	176.8	0	113.4	D573 Y610	D573-K614 WeakPolarHBondContact OD1-CD 3.25Å; D573-K614 VanDerWaalsContact OD1-CE 3.31Å; D573-K614 WeakPolarHBondContact OD1-CE 3.49Å; D573-K614 IonicContact OD1-NZ 3.51Å; D573-K614 PolarHBondContact OD1-NZ 3.43Å; D573-K614 IonicContact OD2-NZ 2.85Å; D573-K614 PolarHBondContact OD2-NZ 3.43Å; Y610-K614 HydrophobicContact CE1-CD 3.83Å; Y610-K614 HydrophobicContact CE2-CB 4.34Å; Y610-K614 HydrophobicContact CE2-CD 3.91Å; Y610-K614 WeakPolarHBondContact O-CB 3.38Å; Y610-K614 PolarHBondContact O-N 3.2Å; Y610-K614 WeakPolarHBondContact OH-CD 3.44Å; Y610-K614 PolarHBondContact OH-NZ 3.31Å
615	F	83.7	Confident	86	Confident	17 Å²	17	72.1 Å²	72.1	8%	0.075	34%	0.339	C	S	.	.	S	Bend	trans	-110.3	8.2	-169.8	-51	-42	0	0	0	113.8	L572 D573 I576 Y610 R611 A617 L618	L572-F615 HydrophobicContact CB-CE2 4.04Å; L572-F615 HydrophobicContact CD2-CE2 4.37Å; D573-F615 VanDerWaalsContact OD1-CZ 3.27Å; D573-F615 WeakPolarHBondContact OD1-CZ 3.29Å; I576-F615 HydrophobicContact CB-CE1 4.48Å; I576-F615 HydrophobicContact CB-CE2 4.44Å; I576-F615 HydrophobicContact CB-CZ 4.24Å; I576-F615 HydrophobicContact CG2-CD1 4.43Å; I576-F615 HydrophobicContact CG2-CE1 3.69Å; I576-F615 HydrophobicContact CG2-CE2 4.27Å; I576-F615 HydrophobicContact CG2-CZ 3.6Å; Y610-F615 HydrophobicContact CE1-CZ 4.34Å; R611-F615 HydrophobicContact CB-CD2 4.33Å; R611-F615 HydrophobicContact CG-CD2 4.12Å; R611-F615 WeakPolarHBondContact O-CA 3.43Å; R611-F615 WeakPolarHBondContact O-CB 3.43Å; R611-F615 PolarHBondContact O-N 3.04Å; F615-A617 PolarHBondContact O-N 2.93Å; F615-A617 VanDerWaalsContact O-N 3.09Å; F615-L618 HydrophobicContact CB-CD1 4Å; F615-L618 HydrophobicContact CD1-CD1 3.55Å; F615-L618 HydrophobicContact CE1-CD1 4.41Å; F615-L618 HydrophobicContact CG-CD1 4.07Å; F615-L618 WeakPolarHBondContact O-CB 3.32Å; F615-L618 PolarHBondContact O-N 3.43Å
616	F	75.8	Confident	86.2	Confident	166 Å²	166	66.3 Å²	66.3	73%	0.728	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.9	-179.6	75.6	-84.2	0	0	0	114.2	K612	K612-F616 WeakPolarHBondContact O-CB 3.32Å
617	A	74.3	Confident	86.2	Confident	79 Å²	79	66 Å²	66	65%	0.653	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-5.7	-178.9	0	0	0	0	0	113.1	F615	F615-A617 PolarHBondContact O-N 2.93Å; F615-A617 VanDerWaalsContact O-N 3.09Å
618	L	72.5	Confident	85.9	Confident	66 Å²	66	66.1 Å²	66.1	35%	0.346	31%	0.314	S	S	.	.			trans	-88.1	127.5	177.8	-66.6	174.7	0	0	0	109	I576 F615 R620	I576-L618 HydrophobicContact CG1-CD1 3.97Å; F615-L618 HydrophobicContact CB-CD1 4Å; F615-L618 HydrophobicContact CD1-CD1 3.55Å; F615-L618 HydrophobicContact CE1-CD1 4.41Å; F615-L618 HydrophobicContact CG-CD1 4.07Å; F615-L618 WeakPolarHBondContact O-CB 3.32Å; F615-L618 PolarHBondContact O-N 3.43Å; L618-R620 HydrophobicContact CB-CB 4.5Å; L618-R620 PolarHBondContact O-N 3.4Å
619	N	69.7	Low	85.2	Confident	162 Å²	162	75.2 Å²	75.2	87%	0.866	36%	0.356	S	S	*	.			trans	-79.3	40.9	172.8	-163.8	34.5	0	0	0	111.9
620	R	74.7	Confident	84.3	Confident	66 Å²	66	75.7 Å²	75.7	25%	0.249	36%	0.359	C	S	.	.			trans	-123.2	122.3	-176.3	-69.3	-171.8	-72.2	-170.6	-1.4	109	I576 Q590 L618	I576-R620 HydrophobicContact CD1-CB 3.76Å; I576-R620 PolarHBondContact O-NH1 3.37Å; I576-R620 VanDerWaalsContact O-NH1 3.14Å; Q590-R620 PolarHBondContact O-NH1 2.87Å; L618-R620 HydrophobicContact CB-CB 4.5Å; L618-R620 PolarHBondContact O-N 3.4Å
621	K	78.8	Confident	83.2	Confident	171 Å²	171	77.2 Å²	77.2	74%	0.743	37%	0.367	S	S	*	.			trans	-89.3	112.3	-179.2	-169.9	176.1	-178.1	177.3	0	109.5
622	L	89.9	Confident	82	Confident	4 Å²	4	77.6 Å²	77.6	2%	0.021	37%	0.374	C	S	.	.			trans	-106.3	111	170.9	-178.8	69.1	0	0	0	108.9	L572 A575 I576 C594 V597 R611	L572-L622 HydrophobicContact CG-CD2 4.13Å; A575-L622 HydrophobicContact CB-CD1 3.56Å; A575-L622 HydrophobicContact CB-CD2 3.88Å; A575-L622 HydrophobicContact CB-CG 4.38Å; I576-L622 HydrophobicContact CD1-CB 4.19Å; C594-L622 WeakPolarHBondContact O-CD1 3.44Å; V597-L622 HydrophobicContact CG1-CD1 4.38Å; V597-L622 HydrophobicContact CG1-CD2 4.31Å; R611-L622 PolarHBondContact NH1-O 2.94Å
623	G	92.2	Very high	80.8	Confident	5 Å²	5	77.2 Å²	77.2	5%	0.052	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	131.5	179.1	0	0	0	0	0	111.9	A595 G596 V597 D644	A595-G623 PolarHBondContact O-N 3.42Å; A595-G623 VanDerWaalsContact O-N 3.17Å; G596-G623 CarbonylContact C-O 3.56Å; G596-G623 WeakPolarHBondContact CA-O 3.27Å; V597-G623 PolarHBondContact N-O 3.01Å; G623-D644 WeakPolarHBondContact CA-OD2 3.33Å
624	I	94.5	Very high	79.7	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	114	169.3	-65.6	176.4	0	0	0	107.5	V597 L599 A607 I608 R611 D644 E645	V597-I624 HydrophobicContact CG2-CG1 4.17Å; L599-I624 HydrophobicContact CD1-CG2 4.32Å; A607-I624 HydrophobicContact CB-CD1 4Å; I608-I624 HydrophobicContact CB-CD1 4.31Å; I608-I624 HydrophobicContact CG1-CD1 3.59Å; I608-I624 HydrophobicContact CG1-CG2 4.5Å; R611-I624 HydrophobicContact CB-CD1 4.38Å; I624-D644 PolarHBondContact N-OD2 2.8Å; I624-D644 PolarHBondContact O-N 2.99Å; I624-E645 PolarHBondContact O-N 2.92Å
625	V	95.2	Very high	78.9	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134	179.6	-167.2	0	0	0	0	108.8	E552 V597 F598 L599 E645	E552-V625 WeakPolarHBondContact OE2-CG2 3.42Å; V597-V625 PolarHBondContact O-N 2.82Å; F598-V625 WeakPolarHBondContact CA-O 3.46Å; F598-V625 HydrophobicContact CD2-CB 4.24Å; F598-V625 HydrophobicContact CD2-CG1 3.94Å; F598-V625 HydrophobicContact CE2-CG1 4.41Å; L599-V625 PolarHBondContact N-O 3.46Å; V625-E645 WeakPolarHBondContact CA-O 3.46Å; V625-E645 HydrophobicContact CG1-CB 4.12Å; V625-E645 HydrophobicContact CG1-CG 4.27Å; V625-E645 HydrophobicContact CG2-CB 4.13Å
626	T	93.6	Very high	78.4	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	162.9	173.1	-170	0	0	0	0	110.6	L599 L601 V639 T643 E645 I646 A647	L599-T626 WeakPolarHBondContact O-CA 3.5Å; L599-T626 PolarHBondContact O-OG1 3.24Å; L601-T626 WeakPolarHBondContact CA-OG1 3.43Å; L601-T626 HydrophobicContact CD1-CG2 3.98Å; L601-T626 PolarHBondContact N-OG1 3.21Å; T626-V639 HydrophobicContact CG2-CG1 4.46Å; T626-T643 HydrophobicContact CG2-CG2 3.73Å; T626-E645 PolarHBondContact N-O 3.34Å; T626-E645 VanDerWaalsContact N-O 3.11Å; T626-I646 HydrophobicContact CG2-CG1 4.39Å; T626-I646 CarbonylContact O-C 3.53Å; T626-I646 WeakPolarHBondContact O-CA 3.33Å; T626-A647 PolarHBondContact O-N 3.36Å
627	E	91.4	Very high	78.3	Confident	66 Å²	66	65.6 Å²	65.6	31%	0.308	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	142.5	171.8	-177.6	169.6	-160.6	0	0	110.9	F598 A647 T649	F598-E627 HydrophobicContact CE2-CB 4.28Å; F598-E627 HydrophobicContact CZ-CB 3.7Å; F598-E627 WeakPolarHBondContact CZ-OE2 3.22Å; E627-A647 CarbonylContact C-O 3.58Å; E627-A647 VanDerWaalsContact CA-O 3.31Å; E627-A647 WeakPolarHBondContact CA-O 3.37Å; E627-A647 HydrophobicContact CB-CB 4.15Å; E627-A647 HydrophobicContact CG-CB 4.35Å; E627-T649 PolarHBondContact OE1-OG1 3.41Å
628	L	87.9	Confident	78.5	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.016	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.1	166.1	-73.8	175.7	0	0	0	108.5	L601 E630 A635 V639 I646 A647 V648 F670 M674	L601-L628 HydrophobicContact CD2-CD2 4.04Å; L628-E630 VanDerWaalsContact C-N 3.31Å; L628-A635 HydrophobicContact CD2-CB 4.19Å; L628-A635 WeakPolarHBondContact CD2-O 3.43Å; L628-V639 HydrophobicContact CD1-CG2 4.28Å; L628-V639 HydrophobicContact CD2-CG2 3.71Å; L628-V639 HydrophobicContact CG-CG2 4.25Å; L628-I646 HydrophobicContact CB-CG2 4.41Å; L628-I646 HydrophobicContact CD1-CG2 3.58Å; L628-I646 HydrophobicContact CG-CG2 3.6Å; L628-A647 PolarHBondContact N-O 3Å; L628-V648 HydrophobicContact CB-CG2 4.34Å; L628-V648 HydrophobicContact CD1-CG2 4.35Å; L628-F670 HydrophobicContact CD1-CZ 4.21Å; L628-M674 HydrophobicContact CD1-CE 4.26Å
629	E	77.7	Confident	79	Confident	197 Å²	197	64.4 Å²	64.4	92%	0.921	34%	0.337	S	S	*	.	S	Bend	trans	-70.3	-31	176.9	-64.2	-178.7	179.4	0	0	111.7
630	E	72.4	Confident	79.6	Confident	122 Å²	122	57.9 Å²	57.9	57%	0.57	30%	0.303	S	S	*	.	S	Bend	trans	-120.8	135.6	178.3	-66.7	-174.9	-178.6	0	0	111.4	L628 T632 A635	L628-E630 VanDerWaalsContact C-N 3.31Å; E630-T632 HydrophobicContact CB-CG2 4.17Å; E630-T632 PolarHBondContact O-N 3.1Å; E630-A635 HydrophobicContact CB-CB 4.14Å; E630-A635 WeakPolarHBondContact O-CB 3.23Å
631	Q	70.1	Confident	79.9	Confident	65 Å²	65	60.8 Å²	60.8	30%	0.304	32%	0.318	S	S	.	.			trans	-79.9	42.3	174.5	-54.2	-162.8	-5.9	0	0	112.7	V648 T649 F670	Q631-V648 HydrophobicContact CG-CG1 3.48Å; Q631-V648 VanDerWaalsContact CG-CG1 3.48Å; Q631-V648 VanDerWaalsContact NE2-CG1 3.33Å; Q631-T649 PolarHBondContact NE2-O 2.93Å; Q631-F670 HydrophobicContact CB-CD2 4.32Å; Q631-F670 HydrophobicContact CB-CE2 4.15Å
632	T	67.2	Low	80	Confident	50 Å²	50	53.5 Å²	53.5	31%	0.307	29%	0.292	S	S	.	.	S	Bend	trans	-104.4	151.3	-177.2	65.7	0	0	0	0	111.4	E630 I634 A635 A636	E630-T632 HydrophobicContact CB-CG2 4.17Å; E630-T632 PolarHBondContact O-N 3.1Å; T632-I634 PolarHBondContact O-N 2.94Å; T632-A635 PolarHBondContact O-N 3.13Å; T632-A635 WeakPolarHBondContact OG1-CB 3.4Å; T632-A635 PolarHBondContact OG1-N 2.96Å; T632-A635 VanDerWaalsContact OG1-N 3.16Å; T632-A636 PolarHBondContact O-N 3.1Å
633	I	61.3	Low	80	Confident	110 Å²	110	53.6 Å²	53.6	56%	0.564	29%	0.292	S	S	*	.	H	α-helix	trans	-57.9	-33.6	172.6	-53.8	-168	0	0	0	110.6	A636 G637 V673	I633-A636 WeakPolarHBondContact O-CB 3.5Å; I633-A636 PolarHBondContact O-N 2.88Å; I633-G637 PolarHBondContact O-N 2.82Å; I633-V673 HydrophobicContact CB-CG1 4.16Å; I633-V673 HydrophobicContact CD1-CG1 4.03Å; I633-V673 HydrophobicContact CD1-CG2 3.83Å; I633-V673 HydrophobicContact CG1-CG1 3.84Å; I633-V673 HydrophobicContact CG1-CG2 4.14Å; I633-V673 HydrophobicContact CG2-CG1 3.72Å
634	I	64.6	Low	79.9	Confident	119 Å²	119	55.2 Å²	55.2	61%	0.61	30%	0.3	S	S	*	.	H	α-helix	trans	-64.8	-52.2	178.5	-60.2	173.8	0	0	0	109.6	T632 A636 G637	T632-I634 PolarHBondContact O-N 2.94Å; I634-A636 VanDerWaalsContact C-N 3.27Å; I634-A636 PolarHBondContact O-N 3.09Å; I634-G637 PolarHBondContact O-N 3.14Å
635	A	69.8	Low	79.9	Confident	15 Å²	15	55.4 Å²	55.4	12%	0.124	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-35.1	178.2	0	0	0	0	0	112.5	L628 E630 T632 G637 D638	L628-A635 HydrophobicContact CD2-CB 4.19Å; L628-A635 WeakPolarHBondContact CD2-O 3.43Å; E630-A635 HydrophobicContact CB-CB 4.14Å; E630-A635 WeakPolarHBondContact O-CB 3.23Å; T632-A635 PolarHBondContact O-N 3.13Å; T632-A635 WeakPolarHBondContact OG1-CB 3.4Å; T632-A635 PolarHBondContact OG1-N 2.96Å; T632-A635 VanDerWaalsContact OG1-N 3.16Å; A635-G637 VanDerWaalsContact C-N 3.27Å; A635-G637 PolarHBondContact O-N 2.93Å; A635-D638 PolarHBondContact O-N 3.48Å
636	A	72.9	Confident	79.8	Confident	15 Å²	15	55.4 Å²	55.4	12%	0.124	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-32.1	174.5	0	0	0	0	0	113.6	T632 I633 I634 D638 V639 M674	T632-A636 PolarHBondContact O-N 3.1Å; I633-A636 WeakPolarHBondContact O-CB 3.5Å; I633-A636 PolarHBondContact O-N 2.88Å; I634-A636 VanDerWaalsContact C-N 3.27Å; I634-A636 PolarHBondContact O-N 3.09Å; A636-D638 VanDerWaalsContact C-N 3.26Å; A636-D638 PolarHBondContact O-N 2.93Å; A636-V639 WeakPolarHBondContact O-CG2 3.34Å; A636-V639 PolarHBondContact O-N 2.92Å; A636-M674 HydrophobicContact CB-CE 4.13Å; A636-M674 HydrophobicContact CB-SD 3.33Å; A636-M674 WeakPolarHBondContact CB-SD 3.5Å
637	G	72.7	Confident	79.8	Confident	63 Å²	63	55.4 Å²	55.4	65%	0.649	30%	0.301	S	S	*	.	H	α-helix	trans	-67.5	-24.7	177.3	0	0	0	0	0	113.8	I633 I634 A635 V639	I633-G637 PolarHBondContact O-N 2.82Å; I634-G637 PolarHBondContact O-N 3.14Å; A635-G637 VanDerWaalsContact C-N 3.27Å; A635-G637 PolarHBondContact O-N 2.93Å; G637-V639 VanDerWaalsContact C-N 3.26Å; G637-V639 PolarHBondContact O-N 3.36Å
638	D	79.2	Confident	79.8	Confident	111 Å²	111	52.3 Å²	52.3	59%	0.594	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.1	179.5	-69.7	-34.4	0	0	0	113.1	L601 A635 A636 P640	L601-D638 HydrophobicContact CD2-CB 4.13Å; A635-D638 PolarHBondContact O-N 3.48Å; A636-D638 VanDerWaalsContact C-N 3.26Å; A636-D638 PolarHBondContact O-N 2.93Å; D638-P640 WeakPolarHBondContact O-CD 3.4Å
639	V	84.3	Confident	79.7	Confident	9 Å²	9	54.8 Å²	54.8	6%	0.055	30%	0.302	C	S	.	.	S	Bend	trans	-69.9	116	179.6	-174.8	0	0	0	0	110.8	L601 T626 L628 A636 G637 F641 T643 I646 Y678	L601-V639 HydrophobicContact CD1-CG2 4.21Å; T626-V639 HydrophobicContact CG2-CG1 4.46Å; L628-V639 HydrophobicContact CD1-CG2 4.28Å; L628-V639 HydrophobicContact CD2-CG2 3.71Å; L628-V639 HydrophobicContact CG-CG2 4.25Å; A636-V639 WeakPolarHBondContact O-CG2 3.34Å; A636-V639 PolarHBondContact O-N 2.92Å; G637-V639 VanDerWaalsContact C-N 3.26Å; G637-V639 PolarHBondContact O-N 3.36Å; V639-F641 PolarHBondContact O-N 3.35Å; V639-T643 HydrophobicContact CG1-CG2 4.08Å; V639-I646 HydrophobicContact CB-CD1 4.33Å; V639-I646 HydrophobicContact CG1-CD1 3.76Å; V639-I646 HydrophobicContact CG1-CG1 4.08Å; V639-I646 HydrophobicContact CG2-CD1 4.09Å; V639-Y678 HydrophobicContact CG1-CE1 4.11Å
640	P	80.6	Confident	79.6	Confident	25 Å²	25	45.7 Å²	45.7	16%	0.162	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-63.8	140.9	-177.9	-22.8	35.1	0	0	0	112.3	A604 K605 I608 D638 G642 T643	A604-P640 HydrophobicContact CB-CG 4.19Å; K605-P640 HydrophobicContact CB-CB 4.09Å; K605-P640 HydrophobicContact CB-CG 3.87Å; I608-P640 HydrophobicContact CD1-CB 3.78Å; D638-P640 WeakPolarHBondContact O-CD 3.4Å; P640-G642 PolarHBondContact O-N 3.17Å; P640-T643 PolarHBondContact O-N 2.99Å; P640-T643 PolarHBondContact O-OG1 3.48Å
641	F	81.8	Confident	79.9	Confident	126 Å²	126	45.6 Å²	45.6	55%	0.553	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	126.5	173.9	-176.1	-98	0	0	0	111.6	V639	V639-F641 PolarHBondContact O-N 3.35Å
642	G	81.5	Confident	80.1	Confident	19 Å²	19	45.5 Å²	45.5	20%	0.196	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.4	-1.1	-175.1	0	0	0	0	0	114.8	R611 P640	R611-G642 PolarHBondContact NH2-O 3.19Å; P640-G642 PolarHBondContact O-N 3.17Å
643	T	88.8	Confident	80.3	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.031	28%	0.276	C	S	.	.			trans	-59	135.2	158.3	-60.2	0	0	0	0	108.7	T626 V639 P640 E645 I646 Y678	T626-T643 HydrophobicContact CG2-CG2 3.73Å; V639-T643 HydrophobicContact CG1-CG2 4.08Å; P640-T643 PolarHBondContact O-N 2.99Å; P640-T643 PolarHBondContact O-OG1 3.48Å; T643-E645 WeakPolarHBondContact CG2-O 3.37Å; T643-I646 HydrophobicContact CG2-CG1 4.09Å; T643-Y678 VanDerWaalsContact O-CD1 3.23Å; T643-Y678 WeakPolarHBondContact O-CD1 3.28Å; T643-Y678 WeakPolarHBondContact O-CE1 3.47Å
644	D	91.2	Very high	80.7	Confident	39 Å²	39	48.8 Å²	48.8	21%	0.209	27%	0.266	C	S	.	.			trans	-89.6	-35.8	-177.8	-61.5	-92.1	0	0	0	111.6	R611 G623 I624 M679	R611-D644 IonicContact CZ-OD2 2.86Å; R611-D644 IonicContact NH1-OD1 3.14Å; R611-D644 IonicContact NH1-OD2 2.76Å; R611-D644 PolarHBondContact NH1-OD2 3.17Å; R611-D644 IonicContact NH2-OD2 3.78Å; G623-D644 WeakPolarHBondContact CA-OD2 3.33Å; I624-D644 PolarHBondContact N-OD2 2.8Å; I624-D644 PolarHBondContact O-N 2.99Å; D644-M679 WeakPolarHBondContact O-CB 3.49Å; D644-M679 PolarHBondContact O-N 3.1Å
645	E	94.2	Very high	81.1	Confident	5 Å²	5	43.7 Å²	43.7	2%	0.023	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	143.9	-173.8	-170.2	176.4	150.1	0	0	112.1	I624 V625 T626 T643 M679 R681 S709 R779	I624-E645 PolarHBondContact O-N 2.92Å; V625-E645 WeakPolarHBondContact CA-O 3.46Å; V625-E645 HydrophobicContact CG1-CB 4.12Å; V625-E645 HydrophobicContact CG1-CG 4.27Å; V625-E645 HydrophobicContact CG2-CB 4.13Å; T626-E645 PolarHBondContact N-O 3.34Å; T626-E645 VanDerWaalsContact N-O 3.11Å; T643-E645 WeakPolarHBondContact CG2-O 3.37Å; E645-M679 CarbonylContact C-O 3.53Å; E645-M679 VanDerWaalsContact CA-O 3.25Å; E645-M679 WeakPolarHBondContact CA-O 3.32Å; E645-M679 HydrophobicContact CB-CB 4.02Å; E645-M679 HydrophobicContact CG-CB 3.85Å; E645-R681 HydrophobicContact CG-CB 4.22Å; E645-R681 IonicContact OE1-CZ 3.94Å; E645-R681 IonicContact OE1-NE 3.34Å; E645-R681 PolarHBondContact OE1-NE 3.43Å; E645-R681 IonicContact OE1-NH2 3.25Å; E645-R681 PolarHBondContact OE1-NH2 2.89Å; E645-R681 IonicContact OE2-NH2 2.92Å; E645-S709 PolarHBondContact OE1-OG 2.98Å; E645-S709 VanDerWaalsContact OE1-OG 3.06Å; E645-R779 IonicContact OE1-NH1 3.79Å; E645-R779 IonicContact OE2-CZ 3.44Å; E645-R779 IonicContact OE2-NH1 3.31Å; E645-R779 PolarHBondContact OE2-NH1 3.17Å; E645-R779 IonicContact OE2-NH2 3.33Å
646	I	93.2	Very high	81.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	117.8	-175.8	-55.1	166.3	0	0	0	108.8	T626 L628 V639 T643 V648 M674 Y678 M679 R681	T626-I646 HydrophobicContact CG2-CG1 4.39Å; T626-I646 CarbonylContact O-C 3.53Å; T626-I646 WeakPolarHBondContact O-CA 3.33Å; L628-I646 HydrophobicContact CB-CG2 4.41Å; L628-I646 HydrophobicContact CD1-CG2 3.58Å; L628-I646 HydrophobicContact CG-CG2 3.6Å; V639-I646 HydrophobicContact CB-CD1 4.33Å; V639-I646 HydrophobicContact CG1-CD1 3.76Å; V639-I646 HydrophobicContact CG1-CG1 4.08Å; V639-I646 HydrophobicContact CG2-CD1 4.09Å; T643-I646 HydrophobicContact CG2-CG1 4.09Å; I646-V648 HydrophobicContact CG2-CG2 4.09Å; I646-M674 HydrophobicContact CD1-CE 3.27Å; I646-Y678 HydrophobicContact CD1-CD1 3.91Å; I646-Y678 HydrophobicContact CD1-CD2 3.88Å; I646-Y678 HydrophobicContact CD1-CG 3.54Å; I646-Y678 HydrophobicContact CG1-CD1 4.44Å; I646-Y678 HydrophobicContact CG1-CG 4.39Å; I646-M679 PolarHBondContact N-O 3.37Å; I646-R681 PolarHBondContact O-N 3.36Å
647	A	93.6	Very high	80.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	134.6	174.2	0	0	0	0	0	110.9	F598 T626 E627 L628 R681 V683	F598-A647 HydrophobicContact CE2-CB 4.13Å; T626-A647 PolarHBondContact O-N 3.36Å; E627-A647 CarbonylContact C-O 3.58Å; E627-A647 VanDerWaalsContact CA-O 3.31Å; E627-A647 WeakPolarHBondContact CA-O 3.37Å; E627-A647 HydrophobicContact CB-CB 4.15Å; E627-A647 HydrophobicContact CG-CB 4.35Å; L628-A647 PolarHBondContact N-O 3Å; A647-R681 CarbonylContact C-O 3.46Å; A647-R681 WeakPolarHBondContact CA-O 3.34Å; A647-R681 HydrophobicContact CB-CB 4.33Å; A647-R681 HydrophobicContact CB-CG 4.4Å; A647-V683 HydrophobicContact CB-CG2 4.24Å
648	V	90.6	Very high	80.7	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	127.2	-177.8	-175.1	0	0	0	0	108.7	L628 Q631 I646 F670 R681 I682 V683	L628-V648 HydrophobicContact CB-CG2 4.34Å; L628-V648 HydrophobicContact CD1-CG2 4.35Å; Q631-V648 HydrophobicContact CG-CG1 3.48Å; Q631-V648 VanDerWaalsContact CG-CG1 3.48Å; Q631-V648 VanDerWaalsContact NE2-CG1 3.33Å; I646-V648 HydrophobicContact CG2-CG2 4.09Å; V648-F670 HydrophobicContact CB-CE1 4.37Å; V648-F670 HydrophobicContact CG1-CE1 3.99Å; V648-F670 HydrophobicContact CG1-CZ 4.3Å; V648-F670 HydrophobicContact CG2-CE1 3.84Å; V648-F670 HydrophobicContact CG2-CZ 4.15Å; V648-R681 PolarHBondContact N-O 2.84Å; V648-I682 CarbonylContact O-C 3.59Å; V648-I682 WeakPolarHBondContact O-CA 3.32Å; V648-V683 PolarHBondContact O-N 2.84Å
649	T	86.2	Confident	80.6	Confident	54 Å²	54	52.4 Å²	52.4	33%	0.331	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.6	178.3	-60.2	0	0	0	0	109	E627 Q631	E627-T649 PolarHBondContact OE1-OG1 3.41Å; Q631-T649 PolarHBondContact NE2-O 2.93Å
650	I	76.1	Confident	80.5	Confident	7 Å²	7	53 Å²	53	4%	0.036	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-89.2	138.2	171.7	-56.9	-174.3	0	0	0	108.6	Y654 F655 L667 I682	I650-Y654 HydrophobicContact CG2-CD2 3.49Å; I650-Y654 VanDerWaalsContact CG2-CD2 3.49Å; I650-Y654 HydrophobicContact CG2-CE2 4.35Å; I650-Y654 HydrophobicContact CG2-CG 3.81Å; I650-F655 HydrophobicContact CB-CE2 3.83Å; I650-F655 HydrophobicContact CB-CZ 4.18Å; I650-F655 HydrophobicContact CD1-CZ 4.03Å; I650-F655 HydrophobicContact CG2-CE2 3.82Å; I650-F655 HydrophobicContact CG2-CZ 4.28Å; I650-L667 HydrophobicContact CD1-CD1 3.71Å; I650-L667 HydrophobicContact CD1-CD2 3.27Å; I650-L667 HydrophobicContact CD1-CG 3.81Å; I650-L667 HydrophobicContact CG1-CD2 4Å; I650-I682 HydrophobicContact CD1-CD1 3.28Å; I650-I682 HydrophobicContact CD1-CG1 3.97Å; I650-I682 HydrophobicContact CG1-CD1 3.89Å; I650-I682 HydrophobicContact CG1-CG1 4.01Å
651	E	77.1	Confident	80.2	Confident	119 Å²	119	53.5 Å²	53.5	56%	0.556	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-61.1	136.7	173.4	-62.5	175.5	163.7	0	0	111.2	E653 Y654	E651-E653 PolarHBondContact O-N 2.8Å; E651-Y654 HydrophobicContact CB-CD2 4.06Å; E651-Y654 HydrophobicContact CB-CE2 4.27Å; E651-Y654 WeakPolarHBondContact O-CD2 3.42Å; E651-Y654 PolarHBondContact O-N 2.69Å; E651-Y654 VanDerWaalsContact O-N 3.14Å
652	D	74.5	Confident	80	Confident	64 Å²	64	47.7 Å²	47.7	34%	0.342	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.7	-174.4	-62.2	-15.6	0	0	0	113.1	Y654 F655 Q656 V688	D652-Y654 PolarHBondContact O-N 2.77Å; D652-F655 PolarHBondContact O-N 2.9Å; D652-Q656 PolarHBondContact O-N 3.27Å; D652-V688 HydrophobicContact CB-CG1 3.83Å; D652-V688 HydrophobicContact CB-CG2 3.93Å; D652-V688 WeakPolarHBondContact O-CG1 3.28Å; D652-V688 WeakPolarHBondContact OD1-CG2 3.33Å
653	E	72.3	Confident	80.1	Confident	135 Å²	135	47 Å²	47	63%	0.631	24%	0.239	S	C	*	.	H	α-helix	trans	-56.2	-34.5	-179.5	-67.1	159.8	-165.7	0	0	112.6	E651 F655 Q656	E651-E653 PolarHBondContact O-N 2.8Å; E653-F655 VanDerWaalsContact C-N 3.27Å; E653-F655 PolarHBondContact O-N 2.79Å; E653-Q656 PolarHBondContact O-N 2.96Å
654	Y	70.5	Confident	79.8	Confident	93 Å²	93	47.9 Å²	47.9	37%	0.365	24%	0.242	S	C	.	.	H	α-helix	trans	-62.5	-34	177.9	-77.5	-78.6	0	0	0	112.7	I650 E651 D652 I663 E666	I650-Y654 HydrophobicContact CG2-CD2 3.49Å; I650-Y654 VanDerWaalsContact CG2-CD2 3.49Å; I650-Y654 HydrophobicContact CG2-CE2 4.35Å; I650-Y654 HydrophobicContact CG2-CG 3.81Å; E651-Y654 HydrophobicContact CB-CD2 4.06Å; E651-Y654 HydrophobicContact CB-CE2 4.27Å; E651-Y654 WeakPolarHBondContact O-CD2 3.42Å; E651-Y654 PolarHBondContact O-N 2.69Å; E651-Y654 VanDerWaalsContact O-N 3.14Å; D652-Y654 PolarHBondContact O-N 2.77Å; Y654-I663 WeakPolarHBondContact O-CD1 3.41Å; Y654-I663 WeakPolarHBondContact O-CG1 3.39Å; Y654-E666 HydrophobicContact CE1-CB 4.49Å; Y654-E666 HydrophobicContact CE1-CG 4.19Å
655	F	72.2	Confident	79.3	Confident	13 Å²	13	51.1 Å²	51.1	6%	0.057	25%	0.252	C	S	.	.	H	α-helix	trans	-87.4	-18.8	-176.2	-61.4	-78.2	0	0	0	113.2	I650 D652 E653 W660 I663 M684 V688	I650-F655 HydrophobicContact CB-CE2 3.83Å; I650-F655 HydrophobicContact CB-CZ 4.18Å; I650-F655 HydrophobicContact CD1-CZ 4.03Å; I650-F655 HydrophobicContact CG2-CE2 3.82Å; I650-F655 HydrophobicContact CG2-CZ 4.28Å; D652-F655 PolarHBondContact O-N 2.9Å; E653-F655 VanDerWaalsContact C-N 3.27Å; E653-F655 PolarHBondContact O-N 2.79Å; F655-W660 HydrophobicContact CD1-CZ3 4.38Å; F655-I663 HydrophobicContact CD1-CD1 4.01Å; F655-I663 HydrophobicContact CE1-CD1 4.41Å; F655-M684 HydrophobicContact CE1-CE 3.61Å; F655-M684 HydrophobicContact CZ-CE 3.82Å; F655-V688 HydrophobicContact CB-CG1 3.65Å; F655-V688 HydrophobicContact CD2-CG1 4.33Å; F655-V688 HydrophobicContact CG-CG1 4.38Å
656	Q	68.6	Low	78.6	Confident	116 Å²	116	54.1 Å²	54.1	54%	0.542	27%	0.266	S	S	.	.	H	α-helix	trans	-72.2	-30.6	-174.3	-70.5	-180	15.1	0	0	113.7	D652 E653 V688	D652-Q656 PolarHBondContact O-N 3.27Å; E653-Q656 PolarHBondContact O-N 2.96Å; Q656-V688 HydrophobicContact CG-CG1 4.37Å
657	E	68.3	Low	78.3	Confident	154 Å²	154	54.3 Å²	54.3	72%	0.72	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	0.1	-174.9	-64.3	-168.3	161.5	0	0	114.5	N659	E657-N659 HydrophobicContact CB-CB 4.24Å; E657-N659 PolarHBondContact O-N 3.43Å
658	A	70.4	Confident	77.8	Confident	50 Å²	50	55.2 Å²	55.2	41%	0.413	27%	0.273	S	S	.	.			trans	50.3	26.4	-171.6	0	0	0	0	0	113.6	W660	A658-W660 HydrophobicContact CB-CZ2 4.12Å; A658-W660 VanDerWaalsContact O-CD1 3.3Å; A658-W660 PolarHBondContact O-N 2.61Å
659	N	77.5	Confident	77.4	Confident	66 Å²	66	59.5 Å²	59.5	35%	0.353	29%	0.292	S	S	.	.			trans	-82.2	64.1	179.7	-175.2	2.2	0	0	0	110.4	E657 S661 G662 I663	E657-N659 HydrophobicContact CB-CB 4.24Å; E657-N659 PolarHBondContact O-N 3.43Å; N659-S661 PolarHBondContact O-N 3.47Å; N659-G662 VanDerWaalsContact O-CA 3.31Å; N659-G662 WeakPolarHBondContact O-CA 3.5Å; N659-G662 PolarHBondContact O-N 3.03Å; N659-G662 WeakPolarHBondContact OD1-CA 3.34Å; N659-G662 PolarHBondContact OD1-N 3.42Å; N659-G662 VanDerWaalsContact OD1-N 3.07Å; N659-I663 WeakPolarHBondContact O-CG1 3.45Å; N659-I663 PolarHBondContact O-N 3.31Å
660	W	81.1	Confident	77.1	Confident	22 Å²	22	57.8 Å²	57.8	8%	0.083	28%	0.28	C	S	.	.	H	α-helix	trans	-56.5	-48	-171.7	-62.3	127.2	0	0	0	113.4	E508 F655 A658 G662 I663 H664 D694 I701	E508-W660 HydrophobicContact CG-CB 4.48Å; F655-W660 HydrophobicContact CD1-CZ3 4.38Å; A658-W660 HydrophobicContact CB-CZ2 4.12Å; A658-W660 VanDerWaalsContact O-CD1 3.3Å; A658-W660 PolarHBondContact O-N 2.61Å; W660-G662 VanDerWaalsContact C-N 3.27Å; W660-G662 PolarHBondContact O-N 3.07Å; W660-I663 HydrophobicContact CE3-CD1 3.75Å; W660-I663 HydrophobicContact CZ3-CD1 3.86Å; W660-I663 PolarHBondContact O-N 3.48Å; W660-H664 WeakPolarHBondContact O-CB 3.47Å; W660-H664 PolarHBondContact O-N 3.31Å; W660-D694 HydrophobicContact CH2-CB 3.84Å; W660-D694 HydrophobicContact CZ2-CB 3.78Å; W660-I701 HydrophobicContact CB-CD1 3.46Å; W660-I701 VanDerWaalsContact CB-CD1 3.46Å; W660-I701 HydrophobicContact CD2-CD1 3.72Å; W660-I701 HydrophobicContact CE3-CD1 3.47Å; W660-I701 VanDerWaalsContact CE3-CD1 3.47Å; W660-I701 HydrophobicContact CG-CD1 3.72Å; W660-I701 HydrophobicContact CZ3-CD1 4.5Å
661	S	75	Confident	77.4	Confident	36 Å²	36	59.3 Å²	59.3	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-34.3	172.6	49.4	0	0	0	0	113.2	E508 N659 R665	E508-S661 WeakPolarHBondContact OE1-CB 3.38Å; E508-S661 PolarHBondContact OE1-N 3.33Å; E508-S661 VanDerWaalsContact OE1-N 3.14Å; E508-S661 PolarHBondContact OE1-OG 3.25Å; N659-S661 PolarHBondContact O-N 3.47Å; S661-R665 VanDerWaalsContact O-CB 3.27Å; S661-R665 WeakPolarHBondContact O-CB 3.46Å; S661-R665 PolarHBondContact O-N 3.2Å; S661-R665 VanDerWaalsContact O-N 3.08Å; S661-R665 PolarHBondContact O-NH1 2.71Å
662	G	77.8	Confident	77.4	Confident	4 Å²	4	60.2 Å²	60.2	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-61.6	-51.1	171.5	0	0	0	0	0	113	N659 W660 R665 E666	N659-G662 VanDerWaalsContact O-CA 3.31Å; N659-G662 WeakPolarHBondContact O-CA 3.5Å; N659-G662 PolarHBondContact O-N 3.03Å; N659-G662 WeakPolarHBondContact OD1-CA 3.34Å; N659-G662 PolarHBondContact OD1-N 3.42Å; N659-G662 VanDerWaalsContact OD1-N 3.07Å; W660-G662 VanDerWaalsContact C-N 3.27Å; W660-G662 PolarHBondContact O-N 3.07Å; G662-R665 PolarHBondContact O-N 3.07Å; G662-E666 PolarHBondContact O-N 2.76Å
663	I	82.2	Confident	77.4	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-49.3	177.6	-58.1	174.5	0	0	0	110.3	Y654 F655 N659 W660 R665 E666 L667 I701	Y654-I663 WeakPolarHBondContact O-CD1 3.41Å; Y654-I663 WeakPolarHBondContact O-CG1 3.39Å; F655-I663 HydrophobicContact CD1-CD1 4.01Å; F655-I663 HydrophobicContact CE1-CD1 4.41Å; N659-I663 WeakPolarHBondContact O-CG1 3.45Å; N659-I663 PolarHBondContact O-N 3.31Å; W660-I663 HydrophobicContact CE3-CD1 3.75Å; W660-I663 HydrophobicContact CZ3-CD1 3.86Å; W660-I663 PolarHBondContact O-N 3.48Å; I663-R665 VanDerWaalsContact C-N 3.27Å; I663-R665 PolarHBondContact O-N 3.08Å; I663-E666 PolarHBondContact O-N 3.02Å; I663-L667 HydrophobicContact CG2-CD1 3.74Å; I663-L667 HydrophobicContact CG2-CG 4.25Å; I663-L667 WeakPolarHBondContact O-CB 3.24Å; I663-L667 WeakPolarHBondContact O-CG 3.46Å; I663-L667 PolarHBondContact O-N 2.85Å; I663-I701 HydrophobicContact CB-CG2 4.49Å; I663-I701 HydrophobicContact CG2-CG2 4.29Å
664	H	83.8	Confident	77.5	Confident	22 Å²	22	54.3 Å²	54.3	10%	0.102	26%	0.258	C	S	.	.	H	α-helix	trans	-54.2	-46.2	178.9	-177.2	-115.9	0	0	0	111.5	D507 W660 S668 I701 A705	D507-H664 IonicContact OD2-CE1 3.79Å; D507-H664 PolarHBondContact OD2-CE1 2.87Å; D507-H664 IonicContact OD2-CG 3.87Å; D507-H664 IonicContact OD2-ND1 2.89Å; D507-H664 PolarHBondContact OD2-ND1 2.99Å; W660-H664 WeakPolarHBondContact O-CB 3.47Å; W660-H664 PolarHBondContact O-N 3.31Å; H664-S668 PolarHBondContact NE2-OG 3.41Å; H664-S668 WeakPolarHBondContact O-CB 3.32Å; H664-S668 PolarHBondContact O-N 2.73Å; H664-S668 PolarHBondContact O-OG 3.11Å; H664-I701 HydrophobicContact CB-CG2 3.73Å; H664-A705 PolarHBondContact NE2-N 2.91Å
665	R	79.3	Confident	77.5	Confident	107 Å²	107	51.8 Å²	51.8	40%	0.404	25%	0.254	S	S	.	.	H	α-helix	trans	-64.7	-46.2	-179.3	179.2	179.8	60.1	-107.1	2.7	112.2	S661 G662 I663 S668 K669	S661-R665 VanDerWaalsContact O-CB 3.27Å; S661-R665 WeakPolarHBondContact O-CB 3.46Å; S661-R665 PolarHBondContact O-N 3.2Å; S661-R665 VanDerWaalsContact O-N 3.08Å; S661-R665 PolarHBondContact O-NH1 2.71Å; G662-R665 PolarHBondContact O-N 3.07Å; I663-R665 VanDerWaalsContact C-N 3.27Å; I663-R665 PolarHBondContact O-N 3.08Å; R665-S668 PolarHBondContact O-N 3.26Å; R665-K669 VanDerWaalsContact O-CG 3.31Å; R665-K669 WeakPolarHBondContact O-CG 3.48Å; R665-K669 PolarHBondContact O-N 3.39Å
666	E	81	Confident	77.4	Confident	68 Å²	68	54.2 Å²	54.2	32%	0.318	27%	0.272	S	S	.	.	H	α-helix	trans	-66.4	-43.6	179.4	-65.8	-44.6	129	0	0	111.5	Y654 G662 I663 S668 K669 F670	Y654-E666 HydrophobicContact CE1-CB 4.49Å; Y654-E666 HydrophobicContact CE1-CG 4.19Å; G662-E666 PolarHBondContact O-N 2.76Å; I663-E666 PolarHBondContact O-N 3.02Å; E666-S668 VanDerWaalsContact C-N 3.35Å; E666-S668 PolarHBondContact O-N 3.37Å; E666-K669 WeakPolarHBondContact O-CB 3.29Å; E666-K669 PolarHBondContact O-N 3.28Å; E666-K669 VanDerWaalsContact O-N 3.17Å; E666-K669 IonicContact OE1-NZ 2.7Å; E666-K669 PolarHBondContact OE1-NZ 3.11Å; E666-K669 WeakPolarHBondContact OE2-CD 3.45Å; E666-K669 IonicContact OE2-NZ 2.65Å; E666-K669 PolarHBondContact OE2-NZ 3.08Å; E666-F670 PolarHBondContact O-N 3.12Å
667	L	86.1	Confident	77.7	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-42.5	175.3	-73.7	177.2	0	0	0	112.7	I650 I663 K669 F670 R671 I682 A705 F707	I650-L667 HydrophobicContact CD1-CD1 3.71Å; I650-L667 HydrophobicContact CD1-CD2 3.27Å; I650-L667 HydrophobicContact CD1-CG 3.81Å; I650-L667 HydrophobicContact CG1-CD2 4Å; I663-L667 HydrophobicContact CG2-CD1 3.74Å; I663-L667 HydrophobicContact CG2-CG 4.25Å; I663-L667 WeakPolarHBondContact O-CB 3.24Å; I663-L667 WeakPolarHBondContact O-CG 3.46Å; I663-L667 PolarHBondContact O-N 2.85Å; L667-K669 VanDerWaalsContact C-N 3.29Å; L667-K669 PolarHBondContact O-N 2.9Å; L667-F670 PolarHBondContact O-N 3.49Å; L667-R671 PolarHBondContact O-N 3.48Å; L667-I682 HydrophobicContact CD1-CD1 4.23Å; L667-A705 HydrophobicContact CB-CB 3.48Å; L667-A705 VanDerWaalsContact CB-CB 3.48Å; L667-A705 HydrophobicContact CD1-CB 4.34Å; L667-F707 HydrophobicContact CB-CE2 3.85Å; L667-F707 HydrophobicContact CD1-CE2 4.43Å; L667-F707 HydrophobicContact CD2-CD2 4.45Å; L667-F707 HydrophobicContact CD2-CE2 3.46Å; L667-F707 VanDerWaalsContact CD2-CE2 3.46Å; L667-F707 HydrophobicContact CD2-CZ 3.53Å; L667-F707 HydrophobicContact CG-CE2 4.11Å
668	S	83.7	Confident	78.3	Confident	20 Å²	20	45.1 Å²	45.1	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-34.2	176.5	-68.3	0	0	0	0	112.3	H664 R665 E666 R672	H664-S668 PolarHBondContact NE2-OG 3.41Å; H664-S668 WeakPolarHBondContact O-CB 3.32Å; H664-S668 PolarHBondContact O-N 2.73Å; H664-S668 PolarHBondContact O-OG 3.11Å; R665-S668 PolarHBondContact O-N 3.26Å; E666-S668 VanDerWaalsContact C-N 3.35Å; E666-S668 PolarHBondContact O-N 3.37Å; S668-R672 WeakPolarHBondContact O-CB 3.31Å; S668-R672 VanDerWaalsContact O-CG 3.25Å; S668-R672 WeakPolarHBondContact O-CG 3.44Å; S668-R672 PolarHBondContact O-N 2.86Å; S668-R672 PolarHBondContact O-NE 3.14Å
669	K	80.8	Confident	79.3	Confident	91 Å²	91	46.3 Å²	46.3	40%	0.396	23%	0.232	S	C	.	.	H	α-helix	trans	-66.1	-45.6	173.6	-75.3	169.1	-178.2	172	0	110.6	R665 E666 L667 R672	R665-K669 VanDerWaalsContact O-CG 3.31Å; R665-K669 WeakPolarHBondContact O-CG 3.48Å; R665-K669 PolarHBondContact O-N 3.39Å; E666-K669 WeakPolarHBondContact O-CB 3.29Å; E666-K669 PolarHBondContact O-N 3.28Å; E666-K669 VanDerWaalsContact O-N 3.17Å; E666-K669 IonicContact OE1-NZ 2.7Å; E666-K669 PolarHBondContact OE1-NZ 3.11Å; E666-K669 WeakPolarHBondContact OE2-CD 3.45Å; E666-K669 IonicContact OE2-NZ 2.65Å; E666-K669 PolarHBondContact OE2-NZ 3.08Å; L667-K669 VanDerWaalsContact C-N 3.29Å; L667-K669 PolarHBondContact O-N 2.9Å; K669-R672 WeakPolarHBondContact O-CB 3.37Å; K669-R672 PolarHBondContact O-N 3.3Å
670	F	81	Confident	80	Confident	17 Å²	17	43.2 Å²	43.2	8%	0.075	22%	0.215	C	C	.	.	H	α-helix	trans	-63.7	-47.9	179.1	-178.1	-109.8	0	0	0	111.7	L628 Q631 V648 E666 L667 R672 V673 M674 M680 F707	L628-F670 HydrophobicContact CD1-CZ 4.21Å; Q631-F670 HydrophobicContact CB-CD2 4.32Å; Q631-F670 HydrophobicContact CB-CE2 4.15Å; V648-F670 HydrophobicContact CB-CE1 4.37Å; V648-F670 HydrophobicContact CG1-CE1 3.99Å; V648-F670 HydrophobicContact CG1-CZ 4.3Å; V648-F670 HydrophobicContact CG2-CE1 3.84Å; V648-F670 HydrophobicContact CG2-CZ 4.15Å; E666-F670 PolarHBondContact O-N 3.12Å; L667-F670 PolarHBondContact O-N 3.49Å; F670-R672 PolarHBondContact O-N 3.33Å; F670-V673 PolarHBondContact O-N 3.47Å; F670-M674 HydrophobicContact CE1-CG 4.33Å; F670-M674 HydrophobicContact CE2-SD 4.48Å; F670-M674 HydrophobicContact CZ-CG 4.34Å; F670-M674 HydrophobicContact CZ-SD 4.2Å; F670-M674 PolarHBondContact O-N 3.44Å; F670-M680 HydrophobicContact CD1-CE 3.44Å; F670-M680 VanDerWaalsContact CD1-CE 3.44Å; F670-M680 HydrophobicContact CE1-CE 3.21Å; F670-M680 HydrophobicContact CZ-CE 4.29Å; F670-F707 HydrophobicContact CD1-CZ 4.09Å
671	R	83.1	Confident	80.7	Confident	40 Å²	40	42.1 Å²	42.1	15%	0.151	21%	0.211	C	C	.	.	H	α-helix	trans	-55.5	-36.7	175.3	-179.8	57.3	171.5	154.4	-10.7	112.7	L667 V673 M674 Y678 M680 A705 G706 D708	L667-R671 PolarHBondContact O-N 3.48Å; R671-V673 VanDerWaalsContact C-N 3.26Å; R671-V673 PolarHBondContact O-N 3.34Å; R671-M674 PolarHBondContact O-N 3.27Å; R671-Y678 PolarHBondContact NH1-O 3.48Å; R671-Y678 PolarHBondContact NH2-O 3.46Å; R671-M680 HydrophobicContact CB-SD 4.43Å; R671-M680 WeakPolarHBondContact CD-SD 3.5Å; R671-M680 HydrophobicContact CG-SD 4.38Å; R671-M680 PolarHBondContact NH1-SD 3.12Å; R671-A705 WeakPolarHBondContact CB-O 3.41Å; R671-G706 PolarHBondContact NE-O 2.87Å; R671-D708 IonicContact CZ-OD2 3.04Å; R671-D708 IonicContact NH2-OD1 2.63Å; R671-D708 IonicContact NH2-OD2 2.65Å; R671-D708 PolarHBondContact NH2-OD2 2.85Å; R671-D708 VanDerWaalsContact NH2-OD2 3.15Å
672	R	77.1	Confident	81.5	Confident	138 Å²	138	40.4 Å²	40.4	52%	0.521	20%	0.199	S	C	.	.	H	α-helix	trans	-65.4	-24.5	178.7	-84.2	179.1	-88.1	177.8	-14.3	114.3	S668 K669 F670	S668-R672 WeakPolarHBondContact O-CB 3.31Å; S668-R672 VanDerWaalsContact O-CG 3.25Å; S668-R672 WeakPolarHBondContact O-CG 3.44Å; S668-R672 PolarHBondContact O-N 2.86Å; S668-R672 PolarHBondContact O-NE 3.14Å; K669-R672 WeakPolarHBondContact O-CB 3.37Å; K669-R672 PolarHBondContact O-N 3.3Å; F670-R672 PolarHBondContact O-N 3.33Å
673	V	73.1	Confident	82.2	Confident	62 Å²	62	40.9 Å²	40.9	38%	0.376	20%	0.201	S	C	.	.	H	α-helix	trans	-83.1	-32.6	177.5	180	0	0	0	0	110.9	I633 F670 R671	I633-V673 HydrophobicContact CB-CG1 4.16Å; I633-V673 HydrophobicContact CD1-CG1 4.03Å; I633-V673 HydrophobicContact CD1-CG2 3.83Å; I633-V673 HydrophobicContact CG1-CG1 3.84Å; I633-V673 HydrophobicContact CG1-CG2 4.14Å; I633-V673 HydrophobicContact CG2-CG1 3.72Å; F670-V673 PolarHBondContact O-N 3.47Å; R671-V673 VanDerWaalsContact C-N 3.26Å; R671-V673 PolarHBondContact O-N 3.34Å
674	M	74.2	Confident	82.6	Confident	13 Å²	13	40.8 Å²	40.8	6%	0.064	20%	0.201	C	C	.	.	S	Bend	trans	-70.6	144.6	-178.6	-61.3	-57.6	-72.2	0	0	111.8	L628 A636 I646 F670 R671 M680	L628-M674 HydrophobicContact CD1-CE 4.26Å; A636-M674 HydrophobicContact CB-CE 4.13Å; A636-M674 HydrophobicContact CB-SD 3.33Å; A636-M674 WeakPolarHBondContact CB-SD 3.5Å; I646-M674 HydrophobicContact CD1-CE 3.27Å; F670-M674 HydrophobicContact CE1-CG 4.33Å; F670-M674 HydrophobicContact CE2-SD 4.48Å; F670-M674 HydrophobicContact CZ-CG 4.34Å; F670-M674 HydrophobicContact CZ-SD 4.2Å; F670-M674 PolarHBondContact O-N 3.44Å; R671-M674 PolarHBondContact O-N 3.27Å; M674-M680 HydrophobicContact CB-CE 4.48Å; M674-M680 HydrophobicContact CB-SD 3.58Å; M674-M680 VanDerWaalsContact CB-SD 3.58Å; M674-M680 HydrophobicContact CG-CE 3.78Å; M674-M680 HydrophobicContact CG-SD 3.55Å; M674-M680 VanDerWaalsContact CG-SD 3.55Å
675	S	70.8	Confident	82.8	Confident	40 Å²	40	44.2 Å²	44.2	28%	0.28	22%	0.217	S	C	.	.			trans	-63.3	139.3	170.1	-176	0	0	0	0	110.3	C677 Y678	S675-C677 PolarHBondContact O-N 3.39Å; S675-C677 PolarHBondContact OG-N 3.46Å; S675-C677 PolarHBondContact OG-SG 3.11Å; S675-C677 VanDerWaalsContact OG-SG 3.39Å; S675-Y678 PolarHBondContact O-N 2.87Å
676	S	71.7	Confident	83.1	Confident	63 Å²	63	39.7 Å²	39.7	44%	0.441	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.2	175.4	51.7	0	0	0	0	113	K226 Y678	K226-S676 WeakPolarHBondContact CE-OG 3.44Å; S676-Y678 PolarHBondContact O-N 3.07Å
677	C	73.6	Confident	83.3	Confident	53 Å²	53	41.1 Å²	41.1	36%	0.358	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.7	175.2	-50	0	0	0	0	112.6	E229 S675	E229-C677 PolarHBondContact OE2-SG 3.18Å; E229-C677 VanDerWaalsContact OE2-SG 3.35Å; S675-C677 PolarHBondContact O-N 3.39Å; S675-C677 PolarHBondContact OG-N 3.46Å; S675-C677 PolarHBondContact OG-SG 3.11Å; S675-C677 VanDerWaalsContact OG-SG 3.39Å
678	Y	82.1	Confident	83.2	Confident	27 Å²	27	42 Å²	42	11%	0.106	23%	0.23	C	C	.	.	S	Bend	trans	-95.7	131.5	177	-54.6	-65.6	0	0	0	110.7	V639 T643 I646 R671 S675 S676	V639-Y678 HydrophobicContact CG1-CE1 4.11Å; T643-Y678 VanDerWaalsContact O-CD1 3.23Å; T643-Y678 WeakPolarHBondContact O-CD1 3.28Å; T643-Y678 WeakPolarHBondContact O-CE1 3.47Å; I646-Y678 HydrophobicContact CD1-CD1 3.91Å; I646-Y678 HydrophobicContact CD1-CD2 3.88Å; I646-Y678 HydrophobicContact CD1-CG 3.54Å; I646-Y678 HydrophobicContact CG1-CD1 4.44Å; I646-Y678 HydrophobicContact CG1-CG 4.39Å; R671-Y678 PolarHBondContact NH1-O 3.48Å; R671-Y678 PolarHBondContact NH2-O 3.46Å; S675-Y678 PolarHBondContact O-N 2.87Å; S676-Y678 PolarHBondContact O-N 3.07Å
679	M	91.4	Very high	83.3	Confident	75 Å²	75	42 Å²	42	37%	0.369	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	137.3	162.9	-60.9	-63.8	-80.3	0	0	108.8	D644 E645 I646 D708	D644-M679 WeakPolarHBondContact O-CB 3.49Å; D644-M679 PolarHBondContact O-N 3.1Å; E645-M679 CarbonylContact C-O 3.53Å; E645-M679 VanDerWaalsContact CA-O 3.25Å; E645-M679 WeakPolarHBondContact CA-O 3.32Å; E645-M679 HydrophobicContact CB-CB 4.02Å; E645-M679 HydrophobicContact CG-CB 3.85Å; I646-M679 PolarHBondContact N-O 3.37Å; M679-D708 WeakPolarHBondContact CA-OD2 3.42Å; M679-D708 HydrophobicContact CB-CB 4.36Å; M679-D708 HydrophobicContact CE-CB 3.3Å; M679-D708 HydrophobicContact SD-CB 4.01Å
680	M	91.8	Very high	83.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.1	179.4	-70.6	-171.8	63.7	0	0	111.3	F670 R671 M674 F707 D708 S709	F670-M680 HydrophobicContact CD1-CE 3.44Å; F670-M680 VanDerWaalsContact CD1-CE 3.44Å; F670-M680 HydrophobicContact CE1-CE 3.21Å; F670-M680 HydrophobicContact CZ-CE 4.29Å; R671-M680 HydrophobicContact CB-SD 4.43Å; R671-M680 WeakPolarHBondContact CD-SD 3.5Å; R671-M680 HydrophobicContact CG-SD 4.38Å; R671-M680 PolarHBondContact NH1-SD 3.12Å; M674-M680 HydrophobicContact CB-CE 4.48Å; M674-M680 HydrophobicContact CB-SD 3.58Å; M674-M680 VanDerWaalsContact CB-SD 3.58Å; M674-M680 HydrophobicContact CG-CE 3.78Å; M674-M680 HydrophobicContact CG-SD 3.55Å; M674-M680 VanDerWaalsContact CG-SD 3.55Å; M680-F707 HydrophobicContact CB-CD1 3.81Å; M680-F707 HydrophobicContact CB-CE1 4.21Å; M680-F707 HydrophobicContact CB-CG 4.27Å; M680-F707 HydrophobicContact CE-CD1 4.45Å; M680-F707 HydrophobicContact CE-CE1 3.81Å; M680-F707 HydrophobicContact CE-CE2 4.35Å; M680-F707 HydrophobicContact CE-CZ 3.75Å; M680-D708 PolarHBondContact N-OD2 3.07Å; M680-D708 PolarHBondContact O-N 2.88Å; M680-S709 PolarHBondContact O-N 3.19Å; M680-S709 PolarHBondContact O-OG 3.49Å
681	R	94.8	Very high	83.8	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.4	176.2	178.1	-168.4	-61.7	-173.7	4.8	109.6	E552 E645 I646 A647 V648 S709 Q711 I746	E552-R681 IonicContact OE1-CZ 3.11Å; E552-R681 IonicContact OE1-NH1 3.94Å; E552-R681 PolarHBondContact OE1-NH1 3.36Å; E552-R681 IonicContact OE1-NH2 2.68Å; E552-R681 IonicContact OE2-CZ 3.6Å; E552-R681 IonicContact OE2-NH1 3.97Å; E552-R681 PolarHBondContact OE2-NH1 3.06Å; E552-R681 IonicContact OE2-NH2 2.78Å; E552-R681 PolarHBondContact OE2-NH2 3.19Å; E645-R681 HydrophobicContact CG-CB 4.22Å; E645-R681 IonicContact OE1-CZ 3.94Å; E645-R681 IonicContact OE1-NE 3.34Å; E645-R681 PolarHBondContact OE1-NE 3.43Å; E645-R681 IonicContact OE1-NH2 3.25Å; E645-R681 PolarHBondContact OE1-NH2 2.89Å; E645-R681 IonicContact OE2-NH2 2.92Å; I646-R681 PolarHBondContact O-N 3.36Å; A647-R681 CarbonylContact C-O 3.46Å; A647-R681 WeakPolarHBondContact CA-O 3.34Å; A647-R681 HydrophobicContact CB-CB 4.33Å; A647-R681 HydrophobicContact CB-CG 4.4Å; V648-R681 PolarHBondContact N-O 2.84Å; R681-S709 WeakPolarHBondContact CA-O 3.49Å; R681-S709 WeakPolarHBondContact CA-OG 3.31Å; R681-S709 WeakPolarHBondContact CB-OG 3.43Å; R681-Q711 VanDerWaalsContact CD-OE1 3.3Å; R681-Q711 HydrophobicContact CG-CB 4Å; R681-I746 HydrophobicContact CG-CD1 4.24Å
682	I	93.1	Very high	84.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.6	168.2	-172	-178.8	0	0	0	109.2	V648 I650 L667 M684 S702 F707 S709 I710 Q711	V648-I682 CarbonylContact O-C 3.59Å; V648-I682 WeakPolarHBondContact O-CA 3.32Å; I650-I682 HydrophobicContact CD1-CD1 3.28Å; I650-I682 HydrophobicContact CD1-CG1 3.97Å; I650-I682 HydrophobicContact CG1-CD1 3.89Å; I650-I682 HydrophobicContact CG1-CG1 4.01Å; L667-I682 HydrophobicContact CD1-CD1 4.23Å; I682-M684 HydrophobicContact CD1-CE 4.31Å; I682-M684 HydrophobicContact CD1-CG 4.05Å; I682-M684 HydrophobicContact CD1-SD 4.36Å; I682-M684 HydrophobicContact CG1-CG 4.04Å; I682-M684 HydrophobicContact CG2-CG 4.07Å; I682-M684 HydrophobicContact CG2-SD 4.2Å; I682-S702 WeakPolarHBondContact CD1-OG 3.28Å; I682-F707 HydrophobicContact CB-CD1 3.67Å; I682-F707 HydrophobicContact CB-CE1 3.93Å; I682-F707 HydrophobicContact CB-CG 4.3Å; I682-F707 HydrophobicContact CG2-CD1 4.38Å; I682-S709 PolarHBondContact N-O 2.67Å; I682-I710 HydrophobicContact CG2-CD1 3.29Å; I682-I710 HydrophobicContact CG2-CG1 4.45Å; I682-Q711 PolarHBondContact O-N 3.28Å
683	V	92.4	Very high	84.8	Confident	13 Å²	13	43 Å²	43	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.3	171.2	-174.6	0	0	0	0	108.3	A647 V648 Q711	A647-V683 HydrophobicContact CB-CG2 4.24Å; V648-V683 PolarHBondContact O-N 2.84Å; V683-Q711 HydrophobicContact CG1-CG 4.48Å; V683-Q711 HydrophobicContact CG2-CB 4.29Å
684	M	89.1	Confident	85.5	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.02	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.8	-177.9	-54	-172.9	88.3	0	0	110	F655 I682 P686 S698 V699 I710 Q711	F655-M684 HydrophobicContact CE1-CE 3.61Å; F655-M684 HydrophobicContact CZ-CE 3.82Å; I682-M684 HydrophobicContact CD1-CE 4.31Å; I682-M684 HydrophobicContact CD1-CG 4.05Å; I682-M684 HydrophobicContact CD1-SD 4.36Å; I682-M684 HydrophobicContact CG1-CG 4.04Å; I682-M684 HydrophobicContact CG2-CG 4.07Å; I682-M684 HydrophobicContact CG2-SD 4.2Å; M684-P686 WeakPolarHBondContact O-CD 3.42Å; M684-S698 VanDerWaalsContact CE-CB 3.47Å; M684-S698 WeakPolarHBondContact CE-OG 3.2Å; M684-V699 HydrophobicContact SD-CG2 4.13Å; M684-I710 HydrophobicContact CG-CG2 4.23Å; M684-I710 HydrophobicContact SD-CD1 4.27Å; M684-I710 HydrophobicContact SD-CG2 3.69Å; M684-Q711 PolarHBondContact N-O 2.98Å
685	Q	88.2	Confident	86.4	Confident	93 Å²	93	40.6 Å²	40.6	44%	0.435	23%	0.232	S	C	.	.			trans	-107	104.8	171.3	-66	-169	17.9	0	0	108.8	A687 V688	Q685-A687 PolarHBondContact O-N 3.15Å; Q685-A687 VanDerWaalsContact O-N 3.09Å; Q685-V688 HydrophobicContact CB-CG2 3.75Å; Q685-V688 WeakPolarHBondContact O-CB 3.16Å; Q685-V688 PolarHBondContact O-N 3.34Å
686	P	87	Confident	87.4	Confident	13 Å²	13	38.9 Å²	38.9	8%	0.084	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-53.8	-33	-178	-29.8	36.8	0	0	0	114.3	M684 V688 C689 L695 I712 D724	M684-P686 WeakPolarHBondContact O-CD 3.42Å; P686-V688 PolarHBondContact O-N 2.97Å; P686-V688 VanDerWaalsContact O-N 3.11Å; P686-C689 WeakPolarHBondContact O-CB 3.49Å; P686-C689 PolarHBondContact O-N 3.39Å; P686-L695 HydrophobicContact CB-CD1 4.35Å; P686-L695 HydrophobicContact CB-CD2 4.15Å; P686-I712 HydrophobicContact CG-CB 4.19Å; P686-I712 HydrophobicContact CG-CG2 4.03Å; P686-D724 HydrophobicContact CB-CB 3.77Å; P686-D724 WeakPolarHBondContact CB-OD2 3.5Å; P686-D724 HydrophobicContact CG-CB 4.07Å
687	A	85	Confident	88.2	Confident	97 Å²	97	39.4 Å²	39.4	80%	0.802	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-61.7	-17.3	178.9	0	0	0	0	0	115	Q685	Q685-A687 PolarHBondContact O-N 3.15Å; Q685-A687 VanDerWaalsContact O-N 3.09Å
688	V	83.2	Confident	89	Confident	23 Å²	23	37 Å²	37	14%	0.139	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-79.1	-25.7	176.9	-173.4	0	0	0	0	111	D652 F655 Q656 Q685 P686	D652-V688 HydrophobicContact CB-CG1 3.83Å; D652-V688 HydrophobicContact CB-CG2 3.93Å; D652-V688 WeakPolarHBondContact O-CG1 3.28Å; D652-V688 WeakPolarHBondContact OD1-CG2 3.33Å; F655-V688 HydrophobicContact CB-CG1 3.65Å; F655-V688 HydrophobicContact CD2-CG1 4.33Å; F655-V688 HydrophobicContact CG-CG1 4.38Å; Q656-V688 HydrophobicContact CG-CG1 4.37Å; Q685-V688 HydrophobicContact CB-CG2 3.75Å; Q685-V688 WeakPolarHBondContact O-CB 3.16Å; Q685-V688 PolarHBondContact O-N 3.34Å; P686-V688 PolarHBondContact O-N 2.97Å; P686-V688 VanDerWaalsContact O-N 3.11Å
689	C	86.6	Confident	89.5	Confident	19 Å²	19	35.7 Å²	35.7	13%	0.128	19%	0.19	C	C	.	.	S	Bend	trans	-75.7	129.1	177.3	-64.6	0	0	0	0	110.3	P686 T691 D694 L695	P686-C689 WeakPolarHBondContact O-CB 3.49Å; P686-C689 PolarHBondContact O-N 3.39Å; C689-T691 VanDerWaalsContact C-N 3.3Å; C689-T691 PolarHBondContact O-N 3.04Å; C689-D694 HydrophobicContact CB-CB 4.17Å; C689-L695 HydrophobicContact CB-CB 4.07Å
690	Q	83.8	Confident	89.5	Confident	152 Å²	152	32.3 Å²	32.3	71%	0.71	17%	0.173	S	C	*	.	S	Bend	trans	-69.1	-31.8	-178.1	-61.1	-178.3	15.3	0	0	112.3
691	T	88.7	Confident	89.4	Confident	62 Å²	62	32.5 Å²	32.5	38%	0.38	17%	0.174	S	C	.	.	S	Bend	trans	-137.6	162.2	179.7	72.5	0	0	0	0	111.5	C689 Y693 D694 L695	C689-T691 VanDerWaalsContact C-N 3.3Å; C689-T691 PolarHBondContact O-N 3.04Å; T691-Y693 PolarHBondContact O-N 2.95Å; T691-Y693 PolarHBondContact OG1-N 3.35Å; T691-D694 WeakPolarHBondContact CB-OD2 3.36Å; T691-D694 PolarHBondContact N-OD2 3.01Å; T691-D694 VanDerWaalsContact N-OD2 3.1Å; T691-D694 WeakPolarHBondContact O-CB 3.28Å; T691-D694 PolarHBondContact O-N 3.37Å; T691-D694 VanDerWaalsContact O-N 3.11Å; T691-D694 PolarHBondContact OG1-N 3.47Å; T691-D694 PolarHBondContact OG1-OD2 3.39Å; T691-L695 PolarHBondContact O-N 3.41Å; T691-L695 VanDerWaalsContact O-N 3.1Å
692	I	90.4	Very high	89.2	Confident	26 Å²	26	32.5 Å²	32.5	13%	0.133	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-25.3	172.1	65	157.2	0	0	0	112.8	L517 N518 D694 L695 Y696 V727	L517-I692 HydrophobicContact CD2-CD1 3.92Å; L517-I692 HydrophobicContact CD2-CG1 4.28Å; L517-I692 HydrophobicContact CG-CD1 3.98Å; N518-I692 HydrophobicContact CB-CD1 4.34Å; N518-I692 VanDerWaalsContact CG-CD1 3.4Å; N518-I692 WeakPolarHBondContact OD1-CD1 3.48Å; I692-D694 VanDerWaalsContact C-N 3.34Å; I692-L695 PolarHBondContact O-N 2.92Å; I692-Y696 WeakPolarHBondContact O-CB 3.35Å; I692-Y696 PolarHBondContact O-N 3.13Å; I692-V727 HydrophobicContact CB-CG2 3.91Å; I692-V727 HydrophobicContact CD1-CG2 4.35Å; I692-V727 HydrophobicContact CG2-CG2 4.23Å; I692-V727 WeakPolarHBondContact O-CG1 3.44Å
693	Y	89.4	Confident	89.2	Confident	68 Å²	68	32.5 Å²	32.5	27%	0.267	17%	0.174	S	C	.	.	H	α-helix	trans	-70.9	-36	176.9	-60.1	-89.2	0	0	0	110.4	V513 L517 N518 T691 Y696 R697	V513-Y693 HydrophobicContact CB-CD1 4.09Å; V513-Y693 HydrophobicContact CG1-CD1 3.53Å; V513-Y693 HydrophobicContact CG1-CE1 4.27Å; V513-Y693 HydrophobicContact CG1-CG 4.42Å; L517-Y693 HydrophobicContact CB-CE1 4.24Å; L517-Y693 HydrophobicContact CD2-CD1 4.3Å; N518-Y693 PolarHBondContact ND2-OH 3.07Å; T691-Y693 PolarHBondContact O-N 2.95Å; T691-Y693 PolarHBondContact OG1-N 3.35Å; Y693-Y696 PolarHBondContact O-N 3.36Å; Y693-R697 WeakPolarHBondContact O-CG 3.39Å; Y693-R697 PolarHBondContact O-N 2.81Å
694	D	88.8	Confident	88.9	Confident	23 Å²	23	33.9 Å²	33.9	12%	0.123	18%	0.18	C	C	.	.	H	α-helix	trans	-69.7	-40.3	174.6	-56.5	-37.5	0	0	0	110.8	W660 C689 T691 I692 Y696 R697 S698	W660-D694 HydrophobicContact CH2-CB 3.84Å; W660-D694 HydrophobicContact CZ2-CB 3.78Å; C689-D694 HydrophobicContact CB-CB 4.17Å; T691-D694 WeakPolarHBondContact CB-OD2 3.36Å; T691-D694 PolarHBondContact N-OD2 3.01Å; T691-D694 VanDerWaalsContact N-OD2 3.1Å; T691-D694 WeakPolarHBondContact O-CB 3.28Å; T691-D694 PolarHBondContact O-N 3.37Å; T691-D694 VanDerWaalsContact O-N 3.11Å; T691-D694 PolarHBondContact OG1-N 3.47Å; T691-D694 PolarHBondContact OG1-OD2 3.39Å; I692-D694 VanDerWaalsContact C-N 3.34Å; D694-Y696 PolarHBondContact O-N 3.46Å; D694-R697 PolarHBondContact O-N 2.88Å; D694-R697 IonicContact OD1-NH1 3.28Å; D694-S698 VanDerWaalsContact O-CB 3.23Å; D694-S698 WeakPolarHBondContact O-CB 3.35Å; D694-S698 PolarHBondContact O-N 3.27Å; D694-S698 PolarHBondContact O-OG 3.4Å
695	L	91.7	Very high	88.8	Confident	2 Å²	2	34 Å²	34	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-58.5	-48.5	172.1	-179.9	60.1	0	0	0	111.1	P686 C689 T691 I692 R697 S698 V699 D724 V727 V728	P686-L695 HydrophobicContact CB-CD1 4.35Å; P686-L695 HydrophobicContact CB-CD2 4.15Å; C689-L695 HydrophobicContact CB-CB 4.07Å; T691-L695 PolarHBondContact O-N 3.41Å; T691-L695 VanDerWaalsContact O-N 3.1Å; I692-L695 PolarHBondContact O-N 2.92Å; L695-R697 PolarHBondContact O-N 3.15Å; L695-S698 WeakPolarHBondContact CA-OG 3.22Å; L695-S698 PolarHBondContact O-N 3.01Å; L695-S698 PolarHBondContact O-OG 2.88Å; L695-V699 WeakPolarHBondContact O-CG2 3.41Å; L695-V699 PolarHBondContact O-N 3.41Å; L695-V699 VanDerWaalsContact O-N 3.12Å; L695-D724 HydrophobicContact CD2-CB 3.75Å; L695-V727 HydrophobicContact CB-CG1 4.16Å; L695-V727 HydrophobicContact CD2-CB 4.09Å; L695-V727 HydrophobicContact CD2-CG1 4.02Å; L695-V727 HydrophobicContact CG-CG1 3.97Å; L695-V728 HydrophobicContact CD1-CG2 4.25Å; L695-V728 HydrophobicContact CD2-CG2 4.28Å; L695-V728 HydrophobicContact CG-CG2 4.28Å
696	Y	92.8	Very high	88.8	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-57.2	-49.2	176.7	-173.7	-83.2	0	0	0	112.2	V513 L517 I692 Y693 D694 S698 V699 L700 V727 L730 A731 D734	V513-Y696 HydrophobicContact CB-CD1 4.14Å; V513-Y696 HydrophobicContact CB-CE1 4.43Å; V513-Y696 HydrophobicContact CG1-CD1 3.63Å; V513-Y696 HydrophobicContact CG1-CE1 4.11Å; V513-Y696 HydrophobicContact CG1-CG 3.84Å; V513-Y696 HydrophobicContact CG2-CD1 3.81Å; V513-Y696 HydrophobicContact CG2-CE1 4.36Å; L517-Y696 HydrophobicContact CD1-CD2 3.91Å; L517-Y696 HydrophobicContact CD1-CE2 4.24Å; L517-Y696 HydrophobicContact CD2-CD2 4.02Å; L517-Y696 HydrophobicContact CD2-CG 4.15Å; I692-Y696 WeakPolarHBondContact O-CB 3.35Å; I692-Y696 PolarHBondContact O-N 3.13Å; Y693-Y696 PolarHBondContact O-N 3.36Å; D694-Y696 PolarHBondContact O-N 3.46Å; Y696-S698 PolarHBondContact O-N 3.25Å; Y696-V699 PolarHBondContact O-N 2.83Å; Y696-L700 HydrophobicContact CD1-CD1 3.97Å; Y696-L700 HydrophobicContact CD1-CG 4.4Å; Y696-L700 HydrophobicContact CE1-CD1 3.37Å; Y696-L700 HydrophobicContact CE1-CG 4.06Å; Y696-L700 PolarHBondContact O-N 2.91Å; Y696-V727 HydrophobicContact CD2-CG1 4.31Å; Y696-L730 HydrophobicContact CE2-CB 4.47Å; Y696-A731 HydrophobicContact CD2-CB 3.63Å; Y696-A731 VanDerWaalsContact CE2-CA 3.42Å; Y696-A731 HydrophobicContact CE2-CB 3.69Å; Y696-A731 HydrophobicContact CG-CB 4.12Å; Y696-D734 VanDerWaalsContact OH-CB 3.23Å; Y696-D734 WeakPolarHBondContact OH-CB 3.45Å; Y696-D734 PolarHBondContact OH-OD2 2.83Å
697	R	89.3	Confident	89	Confident	74 Å²	74	29.6 Å²	29.6	28%	0.279	16%	0.163	S	C	.	.	H	α-helix	trans	-60.7	-45	177.3	-73.7	-179.6	-173.2	108	2.8	112.1	V513 Y693 D694 L695 V699 L700 I701	V513-R697 HydrophobicContact CG2-CG 3.53Å; Y693-R697 WeakPolarHBondContact O-CG 3.39Å; Y693-R697 PolarHBondContact O-N 2.81Å; D694-R697 PolarHBondContact O-N 2.88Å; D694-R697 IonicContact OD1-NH1 3.28Å; L695-R697 PolarHBondContact O-N 3.15Å; R697-V699 PolarHBondContact O-N 2.94Å; R697-L700 PolarHBondContact O-N 3.48Å; R697-I701 HydrophobicContact CB-CD1 4.31Å; R697-I701 WeakPolarHBondContact O-CB 3.26Å; R697-I701 WeakPolarHBondContact O-CD1 3.29Å; R697-I701 VanDerWaalsContact O-CG1 3.25Å; R697-I701 WeakPolarHBondContact O-CG1 3.4Å; R697-I701 PolarHBondContact O-N 3.43Å
698	S	89.4	Confident	89.5	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-59.6	-37.6	-178.1	74.8	0	0	0	0	112	M684 D694 L695 Y696 S702	M684-S698 VanDerWaalsContact CE-CB 3.47Å; M684-S698 WeakPolarHBondContact CE-OG 3.2Å; D694-S698 VanDerWaalsContact O-CB 3.23Å; D694-S698 WeakPolarHBondContact O-CB 3.35Å; D694-S698 PolarHBondContact O-N 3.27Å; D694-S698 PolarHBondContact O-OG 3.4Å; L695-S698 WeakPolarHBondContact CA-OG 3.22Å; L695-S698 PolarHBondContact O-N 3.01Å; L695-S698 PolarHBondContact O-OG 2.88Å; Y696-S698 PolarHBondContact O-N 3.25Å; S698-S702 WeakPolarHBondContact O-CB 3.37Å; S698-S702 PolarHBondContact O-N 2.85Å; S698-S702 VanDerWaalsContact O-N 3.1Å; S698-S702 PolarHBondContact O-OG 3.43Å
699	V	93	Very high	90.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-53.5	174.7	169	0	0	0	0	110.5	M684 L695 Y696 R697 I701 S702 L703 I710 V728 A731 V732	M684-V699 HydrophobicContact SD-CG2 4.13Å; L695-V699 WeakPolarHBondContact O-CG2 3.41Å; L695-V699 PolarHBondContact O-N 3.41Å; L695-V699 VanDerWaalsContact O-N 3.12Å; Y696-V699 PolarHBondContact O-N 2.83Å; R697-V699 PolarHBondContact O-N 2.94Å; V699-I701 PolarHBondContact O-N 2.74Å; V699-S702 PolarHBondContact O-N 3.33Å; V699-S702 VanDerWaalsContact O-N 3.17Å; V699-L703 HydrophobicContact CG1-CD1 4.01Å; V699-L703 WeakPolarHBondContact O-CG 3.28Å; V699-L703 PolarHBondContact O-N 3.14Å; V699-L703 VanDerWaalsContact O-N 3.07Å; V699-I710 HydrophobicContact CG1-CD1 4.35Å; V699-I710 HydrophobicContact CG1-CG1 3.99Å; V699-I710 HydrophobicContact CG2-CG2 4.32Å; V699-V728 HydrophobicContact CG2-CB 4.42Å; V699-V728 HydrophobicContact CG2-CG1 4.25Å; V699-V728 HydrophobicContact CG2-CG2 3.93Å; V699-A731 HydrophobicContact CB-CB 3.86Å; V699-A731 HydrophobicContact CG1-CB 3.57Å; V699-V732 HydrophobicContact CG1-CG2 4.14Å
700	L	91.2	Very high	90.5	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-58	-46.7	-179.8	-70.9	-175.1	0	0	0	112.2	L511 Y696 R697 S702 L703 M704 A731 F735	L511-L700 HydrophobicContact CD2-CB 3.48Å; L511-L700 VanDerWaalsContact CD2-CB 3.48Å; L511-L700 HydrophobicContact CD2-CD1 3.82Å; L511-L700 HydrophobicContact CD2-CG 4.32Å; Y696-L700 HydrophobicContact CD1-CD1 3.97Å; Y696-L700 HydrophobicContact CD1-CG 4.4Å; Y696-L700 HydrophobicContact CE1-CD1 3.37Å; Y696-L700 HydrophobicContact CE1-CG 4.06Å; Y696-L700 PolarHBondContact O-N 2.91Å; R697-L700 PolarHBondContact O-N 3.48Å; L700-S702 VanDerWaalsContact C-N 3.28Å; L700-S702 PolarHBondContact O-N 2.88Å; L700-L703 PolarHBondContact O-N 3.01Å; L700-M704 WeakPolarHBondContact O-CB 3.32Å; L700-M704 VanDerWaalsContact O-CG 3.24Å; L700-M704 WeakPolarHBondContact O-CG 3.34Å; L700-M704 PolarHBondContact O-N 3.07Å; L700-A731 HydrophobicContact CD2-CB 4.48Å; L700-A731 WeakPolarHBondContact CD2-O 3.47Å; L700-F735 HydrophobicContact CD2-CB 3.83Å; L700-F735 HydrophobicContact CD2-CD2 4.31Å
701	I	89.2	Confident	91.1	Very high	4 Å²	4	17 Å²	17	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-57.3	-43.6	177.7	-71.5	160.2	0	0	0	111.2	L511 W660 I663 H664 R697 V699 L703 M704 A705	L511-I701 HydrophobicContact CD1-CD1 3.77Å; L511-I701 HydrophobicContact CD1-CG1 3.48Å; L511-I701 VanDerWaalsContact CD1-CG1 3.48Å; L511-I701 HydrophobicContact CD2-CG1 4.21Å; W660-I701 HydrophobicContact CB-CD1 3.46Å; W660-I701 VanDerWaalsContact CB-CD1 3.46Å; W660-I701 HydrophobicContact CD2-CD1 3.72Å; W660-I701 HydrophobicContact CE3-CD1 3.47Å; W660-I701 VanDerWaalsContact CE3-CD1 3.47Å; W660-I701 HydrophobicContact CG-CD1 3.72Å; W660-I701 HydrophobicContact CZ3-CD1 4.5Å; I663-I701 HydrophobicContact CB-CG2 4.49Å; I663-I701 HydrophobicContact CG2-CG2 4.29Å; H664-I701 HydrophobicContact CB-CG2 3.73Å; R697-I701 HydrophobicContact CB-CD1 4.31Å; R697-I701 WeakPolarHBondContact O-CB 3.26Å; R697-I701 WeakPolarHBondContact O-CD1 3.29Å; R697-I701 VanDerWaalsContact O-CG1 3.25Å; R697-I701 WeakPolarHBondContact O-CG1 3.4Å; R697-I701 PolarHBondContact O-N 3.43Å; V699-I701 PolarHBondContact O-N 2.74Å; I701-L703 PolarHBondContact O-N 3.1Å; I701-M704 PolarHBondContact O-N 3.37Å; I701-A705 WeakPolarHBondContact O-CB 3.26Å; I701-A705 PolarHBondContact O-N 2.75Å
702	S	90.7	Very high	91.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.3	-41.2	-179.2	-57.2	0	0	0	0	111.6	I682 S698 V699 L700 A705 F707	I682-S702 WeakPolarHBondContact CD1-OG 3.28Å; S698-S702 WeakPolarHBondContact O-CB 3.37Å; S698-S702 PolarHBondContact O-N 2.85Å; S698-S702 VanDerWaalsContact O-N 3.1Å; S698-S702 PolarHBondContact O-OG 3.43Å; V699-S702 PolarHBondContact O-N 3.33Å; V699-S702 VanDerWaalsContact O-N 3.17Å; L700-S702 VanDerWaalsContact C-N 3.28Å; L700-S702 PolarHBondContact O-N 2.88Å; S702-A705 PolarHBondContact O-N 2.83Å; S702-F707 WeakPolarHBondContact O-CB 3.35Å; S702-F707 PolarHBondContact O-N 3.29Å
703	L	92.5	Very high	91.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-68.8	-41.3	177.3	-63.1	176.2	0	0	0	112.3	V699 L700 I701 A705 G706 I710 V732 F735 R741 A743	V699-L703 HydrophobicContact CG1-CD1 4.01Å; V699-L703 WeakPolarHBondContact O-CG 3.28Å; V699-L703 PolarHBondContact O-N 3.14Å; V699-L703 VanDerWaalsContact O-N 3.07Å; L700-L703 PolarHBondContact O-N 3.01Å; I701-L703 PolarHBondContact O-N 3.1Å; L703-A705 VanDerWaalsContact C-N 3.3Å; L703-A705 PolarHBondContact O-N 2.76Å; L703-G706 WeakPolarHBondContact O-CA 3.11Å; L703-G706 PolarHBondContact O-N 2.88Å; L703-I710 HydrophobicContact CD2-CD1 3.81Å; L703-I710 HydrophobicContact CD2-CG1 4.01Å; L703-I710 HydrophobicContact CG-CD1 4.08Å; L703-I710 HydrophobicContact CG-CG1 4.38Å; L703-V732 HydrophobicContact CD1-CG2 4.05Å; L703-F735 HydrophobicContact CB-CD1 4.29Å; L703-F735 HydrophobicContact CB-CD2 3.72Å; L703-F735 HydrophobicContact CB-CE1 4.08Å; L703-F735 HydrophobicContact CB-CE2 3.5Å; L703-F735 HydrophobicContact CB-CG 4.12Å; L703-F735 HydrophobicContact CB-CZ 3.7Å; L703-F735 HydrophobicContact CD1-CB 3.88Å; L703-F735 HydrophobicContact CD1-CD1 3.8Å; L703-F735 HydrophobicContact CD1-CD2 3.99Å; L703-F735 HydrophobicContact CD1-CE1 4.33Å; L703-F735 HydrophobicContact CD1-CG 3.6Å; L703-R741 PolarHBondContact O-NH1 3.37Å; L703-R741 VanDerWaalsContact O-NH1 3.07Å; L703-A743 HydrophobicContact CD1-CB 3.99Å; L703-A743 HydrophobicContact CD2-CB 3.52Å; L703-A743 HydrophobicContact CG-CB 4.39Å
704	M	87.9	Confident	91.6	Very high	43 Å²	43	11.5 Å²	11.5	21%	0.212	6%	0.06	C	C	.	.	H	α-helix	trans	-62.4	-36.7	174.1	-72.2	173.6	67.3	0	0	111.8	M510 L511 L700 I701 G706 F735 F739	M510-M704 HydrophobicContact CB-CE 4.12Å; L511-M704 HydrophobicContact CD2-SD 3.79Å; L700-M704 WeakPolarHBondContact O-CB 3.32Å; L700-M704 VanDerWaalsContact O-CG 3.24Å; L700-M704 WeakPolarHBondContact O-CG 3.34Å; L700-M704 PolarHBondContact O-N 3.07Å; I701-M704 PolarHBondContact O-N 3.37Å; M704-G706 PolarHBondContact O-N 2.84Å; M704-F735 HydrophobicContact CG-CE2 4.28Å; M704-F739 HydrophobicContact CE-CZ 4.24Å; M704-F739 HydrophobicContact CG-CE2 4.17Å; M704-F739 HydrophobicContact CG-CZ 3.96Å; M704-F739 HydrophobicContact SD-CE2 4.36Å; M704-F739 HydrophobicContact SD-CZ 3.97Å
705	A	86.7	Confident	91.7	Very high	5 Å²	5	16.1 Å²	16.1	4%	0.041	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-4.4	172.7	0	0	0	0	0	113.6	H664 L667 R671 I701 S702 L703 F707	H664-A705 PolarHBondContact NE2-N 2.91Å; L667-A705 HydrophobicContact CB-CB 3.48Å; L667-A705 VanDerWaalsContact CB-CB 3.48Å; L667-A705 HydrophobicContact CD1-CB 4.34Å; R671-A705 WeakPolarHBondContact CB-O 3.41Å; I701-A705 WeakPolarHBondContact O-CB 3.26Å; I701-A705 PolarHBondContact O-N 2.75Å; S702-A705 PolarHBondContact O-N 2.83Å; L703-A705 VanDerWaalsContact C-N 3.3Å; L703-A705 PolarHBondContact O-N 2.76Å; A705-F707 HydrophobicContact CB-CD2 4.43Å
706	G	86.9	Confident	91.4	Very high	13 Å²	13	20.5 Å²	20.5	13%	0.134	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.6	11.1	172.7	0	0	0	0	0	114.6	R671 L703 M704 R741	R671-G706 PolarHBondContact NE-O 2.87Å; L703-G706 WeakPolarHBondContact O-CA 3.11Å; L703-G706 PolarHBondContact O-N 2.88Å; M704-G706 PolarHBondContact O-N 2.84Å; G706-R741 PolarHBondContact O-NH2 3.16Å
707	F	92.6	Very high	91.1	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	10%	0.104	C	C	.	.			trans	-69.6	148.7	166.9	-73.3	-110	0	0	0	110	L667 F670 M680 I682 S702 A705 R741	L667-F707 HydrophobicContact CB-CE2 3.85Å; L667-F707 HydrophobicContact CD1-CE2 4.43Å; L667-F707 HydrophobicContact CD2-CD2 4.45Å; L667-F707 HydrophobicContact CD2-CE2 3.46Å; L667-F707 VanDerWaalsContact CD2-CE2 3.46Å; L667-F707 HydrophobicContact CD2-CZ 3.53Å; L667-F707 HydrophobicContact CG-CE2 4.11Å; F670-F707 HydrophobicContact CD1-CZ 4.09Å; M680-F707 HydrophobicContact CB-CD1 3.81Å; M680-F707 HydrophobicContact CB-CE1 4.21Å; M680-F707 HydrophobicContact CB-CG 4.27Å; M680-F707 HydrophobicContact CE-CD1 4.45Å; M680-F707 HydrophobicContact CE-CE1 3.81Å; M680-F707 HydrophobicContact CE-CE2 4.35Å; M680-F707 HydrophobicContact CE-CZ 3.75Å; I682-F707 HydrophobicContact CB-CD1 3.67Å; I682-F707 HydrophobicContact CB-CE1 3.93Å; I682-F707 HydrophobicContact CB-CG 4.3Å; I682-F707 HydrophobicContact CG2-CD1 4.38Å; S702-F707 WeakPolarHBondContact O-CB 3.35Å; S702-F707 PolarHBondContact O-N 3.29Å; A705-F707 HydrophobicContact CB-CD2 4.43Å; F707-R741 PolarHBondContact O-NH2 3.08Å
708	D	94	Very high	91	Very high	14 Å²	14	21.5 Å²	21.5	8%	0.075	12%	0.115	C	C	.	.			trans	-106.2	-12.4	-173	-52.3	-74.4	0	0	0	112.4	R671 M679 M680 R741 A743 K744	R671-D708 IonicContact CZ-OD2 3.04Å; R671-D708 IonicContact NH2-OD1 2.63Å; R671-D708 IonicContact NH2-OD2 2.65Å; R671-D708 PolarHBondContact NH2-OD2 2.85Å; R671-D708 VanDerWaalsContact NH2-OD2 3.15Å; M679-D708 WeakPolarHBondContact CA-OD2 3.42Å; M679-D708 HydrophobicContact CB-CB 4.36Å; M679-D708 HydrophobicContact CE-CB 3.3Å; M679-D708 HydrophobicContact SD-CB 4.01Å; M680-D708 PolarHBondContact N-OD2 3.07Å; M680-D708 PolarHBondContact O-N 2.88Å; D708-R741 IonicContact OD1-CZ 3.59Å; D708-R741 IonicContact OD1-NH2 2.7Å; D708-R741 PolarHBondContact OD1-NH2 3.41Å; D708-A743 WeakPolarHBondContact O-CA 3.33Å; D708-K744 PolarHBondContact O-N 3.09Å
709	S	95.9	Very high	91	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.014	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	147.7	-178	60	0	0	0	0	113.5	E645 M680 R681 I682 K744	E645-S709 PolarHBondContact OE1-OG 2.98Å; E645-S709 VanDerWaalsContact OE1-OG 3.06Å; M680-S709 PolarHBondContact O-N 3.19Å; M680-S709 PolarHBondContact O-OG 3.49Å; R681-S709 WeakPolarHBondContact CA-O 3.49Å; R681-S709 WeakPolarHBondContact CA-OG 3.31Å; R681-S709 WeakPolarHBondContact CB-OG 3.43Å; I682-S709 PolarHBondContact N-O 2.67Å; S709-K744 CarbonylContact C-O 3.53Å; S709-K744 WeakPolarHBondContact CA-O 3.36Å; S709-K744 WeakPolarHBondContact CB-O 2.93Å
710	I	96.1	Very high	90.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.9	179.5	-53.1	-59.2	0	0	0	108.4	I682 M684 V699 L703 I712 V728 K744 I745 I746	I682-I710 HydrophobicContact CG2-CD1 3.29Å; I682-I710 HydrophobicContact CG2-CG1 4.45Å; M684-I710 HydrophobicContact CG-CG2 4.23Å; M684-I710 HydrophobicContact SD-CD1 4.27Å; M684-I710 HydrophobicContact SD-CG2 3.69Å; V699-I710 HydrophobicContact CG1-CD1 4.35Å; V699-I710 HydrophobicContact CG1-CG1 3.99Å; V699-I710 HydrophobicContact CG2-CG2 4.32Å; L703-I710 HydrophobicContact CD2-CD1 3.81Å; L703-I710 HydrophobicContact CD2-CG1 4.01Å; L703-I710 HydrophobicContact CG-CD1 4.08Å; L703-I710 HydrophobicContact CG-CG1 4.38Å; I710-I712 HydrophobicContact CG2-CG2 4.4Å; I710-V728 HydrophobicContact CB-CG1 4.36Å; I710-V728 HydrophobicContact CG2-CG1 3.97Å; I710-K744 PolarHBondContact N-O 3.04Å; I710-I745 CarbonylContact O-C 3.54Å; I710-I745 WeakPolarHBondContact O-CA 3.44Å; I710-I746 PolarHBondContact O-N 3.42Å
711	Q	95.7	Very high	90.9	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.047	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.5	169.9	179.5	179.3	-55.8	0	0	110.6	R681 I682 V683 M684 I746	R681-Q711 VanDerWaalsContact CD-OE1 3.3Å; R681-Q711 HydrophobicContact CG-CB 4Å; I682-Q711 PolarHBondContact O-N 3.28Å; V683-Q711 HydrophobicContact CG1-CG 4.48Å; V683-Q711 HydrophobicContact CG2-CB 4.29Å; M684-Q711 PolarHBondContact N-O 2.98Å; Q711-I746 CarbonylContact C-O 3.53Å; Q711-I746 VanDerWaalsContact CA-O 3.25Å; Q711-I746 WeakPolarHBondContact CA-O 3.46Å; Q711-I746 HydrophobicContact CB-CB 3.92Å; Q711-I746 HydrophobicContact CB-CG2 4.3Å; Q711-I746 HydrophobicContact CG-CB 4.04Å; Q711-I746 HydrophobicContact CG-CG2 3.89Å
712	I	94.6	Very high	91.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	148.9	169.8	57.9	171.8	0	0	0	110.6	P686 I710 T714 A725 V728 I746 I747 Y748	P686-I712 HydrophobicContact CG-CB 4.19Å; P686-I712 HydrophobicContact CG-CG2 4.03Å; I710-I712 HydrophobicContact CG2-CG2 4.4Å; I712-T714 HydrophobicContact CD1-CG2 4.26Å; I712-A725 HydrophobicContact CD1-CB 3.73Å; I712-V728 HydrophobicContact CG2-CG2 3.86Å; I712-I746 PolarHBondContact N-O 2.88Å; I712-I747 HydrophobicContact CD1-CG1 4.35Å; I712-I747 HydrophobicContact CG1-CG1 4.27Å; I712-Y748 PolarHBondContact O-N 3.47Å
713	T	92.2	Very high	91.3	Very high	39 Å²	39	33.7 Å²	33.7	24%	0.239	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127.1	172.6	-64.2	0	0	0	0	109.4	Y748	T713-Y748 WeakPolarHBondContact CA-O 3.49Å; T713-Y748 HydrophobicContact CG2-CD1 3.8Å; T713-Y748 HydrophobicContact CG2-CE1 4.29Å
714	T	92.3	Very high	91.4	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	158.5	174.8	67.5	0	0	0	0	110.3	I712 M717 D721 I747 Y748 N749	I712-T714 HydrophobicContact CD1-CG2 4.26Å; T714-M717 HydrophobicContact CG2-SD 3.72Å; T714-M717 WeakPolarHBondContact OG1-CG 3.24Å; T714-M717 PolarHBondContact OG1-SD 3.01Å; T714-D721 HydrophobicContact CG2-CB 4.17Å; T714-I747 HydrophobicContact CG2-CG2 3.95Å; T714-Y748 PolarHBondContact N-O 3.12Å; T714-Y748 PolarHBondContact OG1-O 3.4Å; T714-N749 PolarHBondContact O-ND2 2.83Å; T714-N749 PolarHBondContact OG1-ND2 3.27Å
715	H	89.9	Confident	91.7	Very high	120 Å²	120	33.1 Å²	33.1	56%	0.556	18%	0.182	S	C	*	.	S	Bend	trans	-116.2	-67.9	-177.5	-60.7	-67.1	0	0	0	111	D721 N749 K756	H715-D721 WeakPolarHBondContact CA-OD2 3.38Å; H715-D721 PolarHBondContact N-OD2 3.13Å; H715-N749 PolarHBondContact O-ND2 3.06Å; H715-N749 PolarHBondContact O-OD1 3.25Å; H715-K756 PolarHBondContact O-NZ 3.02Å
716	D	86.6	Confident	92.2	Very high	93 Å²	93	32.9 Å²	32.9	50%	0.497	18%	0.18	S	C	.	.	S	Bend	trans	-98.2	-15.4	-174.4	-71.7	-39.2	0	0	0	112.9	D718 D721 K756	D716-D718 VanDerWaalsContact CB-OD1 3.32Å; D716-D718 WeakPolarHBondContact CB-OD1 3.26Å; D716-D718 PolarHBondContact O-N 3.49Å; D716-D721 PolarHBondContact N-OD2 3.17Å; D716-K756 WeakPolarHBondContact O-CE 3.43Å; D716-K756 IonicContact OD1-NZ 3.74Å
717	M	87.1	Confident	92.6	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.02	17%	0.173	C	C	.	.	S	Bend	trans	51.9	36.3	-174.5	-71.5	-73.2	-63.9	0	0	111.2	T714 D721 L722 I747 W752 K756	T714-M717 HydrophobicContact CG2-SD 3.72Å; T714-M717 WeakPolarHBondContact OG1-CG 3.24Å; T714-M717 PolarHBondContact OG1-SD 3.01Å; M717-D721 PolarHBondContact N-OD2 3.07Å; M717-L722 HydrophobicContact CE-CD2 4.41Å; M717-L722 WeakPolarHBondContact O-CD2 3.48Å; M717-L722 VanDerWaalsContact O-CG 3.31Å; M717-L722 WeakPolarHBondContact O-CG 3.36Å; M717-I747 HydrophobicContact SD-CG2 4.02Å; M717-W752 HydrophobicContact CE-CH2 4.35Å; M717-W752 HydrophobicContact CE-CZ3 4.42Å; M717-W752 HydrophobicContact CG-CH2 4.43Å; M717-W752 HydrophobicContact CG-CZ3 4.15Å; M717-W752 HydrophobicContact SD-CH2 4.32Å; M717-K756 HydrophobicContact CB-CB 4.09Å; M717-K756 HydrophobicContact CB-CD 4.18Å; M717-K756 HydrophobicContact CB-CG 3.94Å; M717-K756 HydrophobicContact CG-CB 4.23Å; M717-K756 HydrophobicContact CG-CD 4.42Å; M717-K756 HydrophobicContact CG-CG 4.46Å
718	D	85.8	Confident	92.8	Very high	96 Å²	96	32.2 Å²	32.2	51%	0.513	17%	0.173	S	C	.	.	S	Bend	trans	-131	179.9	171.9	70.1	6.2	0	0	0	109.7	D716 D720 D721 L722	D716-D718 VanDerWaalsContact CB-OD1 3.32Å; D716-D718 WeakPolarHBondContact CB-OD1 3.26Å; D716-D718 PolarHBondContact O-N 3.49Å; D718-D720 PolarHBondContact O-N 3.45Å; D718-D721 WeakPolarHBondContact O-CB 3.29Å; D718-D721 PolarHBondContact O-N 2.84Å; D718-L722 PolarHBondContact O-N 3.46Å
719	G	89.2	Confident	92.8	Very high	45 Å²	45	31.5 Å²	31.5	46%	0.464	17%	0.169	S	C	.	.	H	α-helix	trans	45.2	-112.4	171.9	0	0	0	0	0	114.9	R723	G719-R723 PolarHBondContact O-N 3.28Å
720	D	90.6	Very high	92.8	Very high	99 Å²	99	31.5 Å²	31.5	53%	0.529	17%	0.169	S	C	.	.	H	α-helix	trans	-70.4	-40.5	-179	-66	-38.3	0	0	0	113	D718 L722 R723 D724	D718-D720 PolarHBondContact O-N 3.45Å; D720-L722 PolarHBondContact O-N 2.99Å; D720-R723 WeakPolarHBondContact O-CA 3.23Å; D720-R723 WeakPolarHBondContact O-CB 3.46Å; D720-R723 PolarHBondContact O-N 2.76Å; D720-R723 IonicContact OD1-CZ 2.69Å; D720-R723 IonicContact OD1-NE 3.86Å; D720-R723 PolarHBondContact OD1-NE 3.17Å; D720-R723 IonicContact OD1-NH2 2.6Å; D720-R723 PolarHBondContact OD1-NH2 3.26Å; D720-D724 PolarHBondContact O-N 3.16Å
721	D	92.5	Very high	92.7	Very high	24 Å²	24	31.5 Å²	31.5	13%	0.128	17%	0.169	C	C	.	.	H	α-helix	trans	-57.2	-40	178.2	-75.8	-19.8	0	0	0	111.8	T714 H715 D716 M717 D718 A725	T714-D721 HydrophobicContact CG2-CB 4.17Å; H715-D721 WeakPolarHBondContact CA-OD2 3.38Å; H715-D721 PolarHBondContact N-OD2 3.13Å; D716-D721 PolarHBondContact N-OD2 3.17Å; M717-D721 PolarHBondContact N-OD2 3.07Å; D718-D721 WeakPolarHBondContact O-CB 3.29Å; D718-D721 PolarHBondContact O-N 2.84Å; D721-A725 VanDerWaalsContact O-CB 3.25Å; D721-A725 WeakPolarHBondContact O-CB 3.43Å; D721-A725 PolarHBondContact O-N 3.19Å
722	L	93	Very high	92.6	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-67.5	-41.2	176.2	-71.9	176.6	0	0	0	111.6	I525 M717 D718 D720 T726 L759 L763	I525-L722 HydrophobicContact CD1-CB 4.04Å; I525-L722 HydrophobicContact CG1-CB 4.36Å; I525-L722 HydrophobicContact CG2-CD1 4.38Å; M717-L722 HydrophobicContact CE-CD2 4.41Å; M717-L722 WeakPolarHBondContact O-CD2 3.48Å; M717-L722 VanDerWaalsContact O-CG 3.31Å; M717-L722 WeakPolarHBondContact O-CG 3.36Å; D718-L722 PolarHBondContact O-N 3.46Å; D720-L722 PolarHBondContact O-N 2.99Å; L722-T726 WeakPolarHBondContact O-CB 3.41Å; L722-T726 PolarHBondContact O-N 3.37Å; L722-T726 PolarHBondContact O-OG1 3.31Å; L722-L759 HydrophobicContact CD1-CD2 4.06Å; L722-L759 HydrophobicContact CD2-CD2 3.84Å; L722-L759 HydrophobicContact CD2-CG 4.11Å; L722-L763 HydrophobicContact CD2-CD2 4Å
723	R	94.7	Very high	92.5	Very high	93 Å²	93	33.7 Å²	33.7	35%	0.351	18%	0.177	S	C	.	.	H	α-helix	trans	-60.5	-50.5	176.1	-84.8	-171.4	-81.2	-111.7	0.8	110.4	V521 I525 G719 D720 T726 V727	V521-R723 HydrophobicContact CG1-CB 4.3Å; V521-R723 HydrophobicContact CG1-CG 3.95Å; I525-R723 HydrophobicContact CD1-CG 4.15Å; G719-R723 PolarHBondContact O-N 3.28Å; D720-R723 WeakPolarHBondContact O-CA 3.23Å; D720-R723 WeakPolarHBondContact O-CB 3.46Å; D720-R723 PolarHBondContact O-N 2.76Å; D720-R723 IonicContact OD1-CZ 2.69Å; D720-R723 IonicContact OD1-NE 3.86Å; D720-R723 PolarHBondContact OD1-NE 3.17Å; D720-R723 IonicContact OD1-NH2 2.6Å; D720-R723 PolarHBondContact OD1-NH2 3.26Å; R723-T726 WeakPolarHBondContact O-CB 3.43Å; R723-T726 PolarHBondContact O-N 3.1Å; R723-V727 VanDerWaalsContact O-CG2 3.29Å; R723-V727 WeakPolarHBondContact O-CG2 3.35Å; R723-V727 PolarHBondContact O-N 2.75Å
724	D	94.7	Very high	92.4	Very high	30 Å²	30	33 Å²	33	16%	0.16	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-44.7	-175.9	-66.3	-16.4	0	0	0	111.7	P686 L695 D720 T726 V727 V728	P686-D724 HydrophobicContact CB-CB 3.77Å; P686-D724 WeakPolarHBondContact CB-OD2 3.5Å; P686-D724 HydrophobicContact CG-CB 4.07Å; L695-D724 HydrophobicContact CD2-CB 3.75Å; D720-D724 PolarHBondContact O-N 3.16Å; D724-T726 VanDerWaalsContact C-N 3.31Å; D724-T726 PolarHBondContact O-N 3.37Å; D724-V727 PolarHBondContact O-N 3.38Å; D724-V728 VanDerWaalsContact O-CG2 3.31Å; D724-V728 WeakPolarHBondContact O-CG2 3.34Å; D724-V728 PolarHBondContact O-N 3.43Å; D724-V728 VanDerWaalsContact O-N 3.08Å
725	A	95.5	Very high	92.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.3	-42.8	174	0	0	0	0	0	111.8	I712 D721 V727 V728 F729 L763	I712-A725 HydrophobicContact CD1-CB 3.73Å; D721-A725 VanDerWaalsContact O-CB 3.25Å; D721-A725 WeakPolarHBondContact O-CB 3.43Å; D721-A725 PolarHBondContact O-N 3.19Å; A725-V727 PolarHBondContact O-N 3.07Å; A725-V728 PolarHBondContact O-N 3.17Å; A725-F729 HydrophobicContact CB-CE2 4.29Å; A725-F729 WeakPolarHBondContact O-CD2 3.4Å; A725-F729 PolarHBondContact O-N 2.89Å; A725-L763 HydrophobicContact CB-CD2 4.03Å
726	T	95.9	Very high	92	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.1	-42.6	178.1	-51.4	0	0	0	0	111.7	V521 C524 I525 L722 R723 D724 V728 F729 L730 L763	V521-T726 HydrophobicContact CB-CG2 4.16Å; V521-T726 HydrophobicContact CG1-CG2 4.09Å; V521-T726 HydrophobicContact CG2-CG2 4.04Å; C524-T726 HydrophobicContact CB-CG2 3.74Å; I525-T726 WeakPolarHBondContact CG1-OG1 3.48Å; L722-T726 WeakPolarHBondContact O-CB 3.41Å; L722-T726 PolarHBondContact O-N 3.37Å; L722-T726 PolarHBondContact O-OG1 3.31Å; R723-T726 WeakPolarHBondContact O-CB 3.43Å; R723-T726 PolarHBondContact O-N 3.1Å; D724-T726 VanDerWaalsContact C-N 3.31Å; D724-T726 PolarHBondContact O-N 3.37Å; T726-V728 VanDerWaalsContact C-N 3.3Å; T726-V728 PolarHBondContact O-N 3.24Å; T726-F729 PolarHBondContact O-N 2.88Å; T726-L730 HydrophobicContact CG2-CD1 4.15Å; T726-L730 HydrophobicContact CG2-CG 4.38Å; T726-L730 VanDerWaalsContact O-CG 3.31Å; T726-L730 WeakPolarHBondContact O-CG 3.24Å; T726-L730 PolarHBondContact O-N 3.15Å; T726-L763 WeakPolarHBondContact OG1-CD1 3.3Å
727	V	95.9	Very high	91.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.1	-43.6	177	170.9	0	0	0	0	110.8	L517 V521 I692 L695 Y696 R723 D724 A725 L730 A731	L517-V727 HydrophobicContact CD2-CG1 4.43Å; V521-V727 HydrophobicContact CG2-CG2 3.73Å; I692-V727 HydrophobicContact CB-CG2 3.91Å; I692-V727 HydrophobicContact CD1-CG2 4.35Å; I692-V727 HydrophobicContact CG2-CG2 4.23Å; I692-V727 WeakPolarHBondContact O-CG1 3.44Å; L695-V727 HydrophobicContact CB-CG1 4.16Å; L695-V727 HydrophobicContact CD2-CB 4.09Å; L695-V727 HydrophobicContact CD2-CG1 4.02Å; L695-V727 HydrophobicContact CG-CG1 3.97Å; Y696-V727 HydrophobicContact CD2-CG1 4.31Å; R723-V727 VanDerWaalsContact O-CG2 3.29Å; R723-V727 WeakPolarHBondContact O-CG2 3.35Å; R723-V727 PolarHBondContact O-N 2.75Å; D724-V727 PolarHBondContact O-N 3.38Å; A725-V727 PolarHBondContact O-N 3.07Å; V727-L730 PolarHBondContact O-N 3.36Å; V727-A731 WeakPolarHBondContact O-CB 3.28Å; V727-A731 PolarHBondContact O-N 2.85Å
728	V	96	Very high	91.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-41.9	177.5	175.3	0	0	0	0	111.2	L695 V699 I710 I712 D724 A725 T726 A731 V732 I745	L695-V728 HydrophobicContact CD1-CG2 4.25Å; L695-V728 HydrophobicContact CD2-CG2 4.28Å; L695-V728 HydrophobicContact CG-CG2 4.28Å; V699-V728 HydrophobicContact CG2-CB 4.42Å; V699-V728 HydrophobicContact CG2-CG1 4.25Å; V699-V728 HydrophobicContact CG2-CG2 3.93Å; I710-V728 HydrophobicContact CB-CG1 4.36Å; I710-V728 HydrophobicContact CG2-CG1 3.97Å; I712-V728 HydrophobicContact CG2-CG2 3.86Å; D724-V728 VanDerWaalsContact O-CG2 3.31Å; D724-V728 WeakPolarHBondContact O-CG2 3.34Å; D724-V728 PolarHBondContact O-N 3.43Å; D724-V728 VanDerWaalsContact O-N 3.08Å; A725-V728 PolarHBondContact O-N 3.17Å; T726-V728 VanDerWaalsContact C-N 3.3Å; T726-V728 PolarHBondContact O-N 3.24Å; V728-A731 PolarHBondContact O-N 2.99Å; V728-V732 WeakPolarHBondContact O-CG2 3.42Å; V728-V732 PolarHBondContact O-N 2.94Å; V728-I745 HydrophobicContact CG1-CD1 4.18Å; V728-I745 HydrophobicContact CG1-CG1 4.08Å; V728-I745 HydrophobicContact CG1-CG2 4.01Å
729	F	95.6	Very high	91.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-46.7	174.2	-74	-61	0	0	0	112.3	A725 T726 V732 R733 I745 I747 L763 C764 A767 I768 V778	A725-F729 HydrophobicContact CB-CE2 4.29Å; A725-F729 WeakPolarHBondContact O-CD2 3.4Å; A725-F729 PolarHBondContact O-N 2.89Å; T726-F729 PolarHBondContact O-N 2.88Å; F729-V732 PolarHBondContact O-N 2.9Å; F729-R733 WeakPolarHBondContact O-CB 3.34Å; F729-R733 PolarHBondContact O-N 3.2Å; F729-I745 HydrophobicContact CB-CD1 4.32Å; F729-I745 HydrophobicContact CD1-CD1 3.15Å; F729-I745 HydrophobicContact CD1-CG1 4.44Å; F729-I745 HydrophobicContact CE1-CB 4.15Å; F729-I745 HydrophobicContact CE1-CD1 3.56Å; F729-I745 HydrophobicContact CE1-CG1 4.5Å; F729-I745 HydrophobicContact CE1-CG2 4.06Å; F729-I745 HydrophobicContact CG-CD1 3.96Å; F729-I745 HydrophobicContact CZ-CG2 4.4Å; F729-I747 HydrophobicContact CE2-CD1 4.08Å; F729-I747 HydrophobicContact CZ-CD1 3.75Å; F729-L763 HydrophobicContact CD2-CD2 4.35Å; F729-L763 HydrophobicContact CD2-CG 4.23Å; F729-L763 HydrophobicContact CE2-CB 4.41Å; F729-L763 HydrophobicContact CE2-CD2 4.16Å; F729-L763 HydrophobicContact CE2-CG 4.2Å; F729-C764 HydrophobicContact CD1-CB 4.04Å; F729-C764 HydrophobicContact CE1-CB 3.43Å; F729-C764 VanDerWaalsContact CE1-CB 3.43Å; F729-C764 WeakPolarHBondContact CE1-SG 3.2Å; F729-C764 HydrophobicContact CE2-CB 4.25Å; F729-C764 HydrophobicContact CZ-CB 3.55Å; F729-A767 HydrophobicContact CB-CB 3.43Å; F729-A767 VanDerWaalsContact CB-CB 3.43Å; F729-A767 HydrophobicContact CD2-CB 4.47Å; F729-A767 HydrophobicContact CG-CB 4.11Å; F729-I768 HydrophobicContact CB-CD1 4.4Å; F729-I768 HydrophobicContact CD1-CD1 4.34Å; F729-I768 HydrophobicContact CD1-CG1 4.32Å; F729-I768 WeakPolarHBondContact O-CD1 3.45Å; F729-V778 HydrophobicContact CE1-CB 4.33Å; F729-V778 HydrophobicContact CE1-CG2 4.02Å; F729-V778 HydrophobicContact CZ-CG2 3.99Å
730	L	94.7	Very high	90.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-42.7	178.9	-66.7	173.1	0	0	0	111.5	L517 T520 V521 Y696 T726 V727 V732 R733 D734 A767	L517-L730 HydrophobicContact CD1-CB 4.45Å; L517-L730 HydrophobicContact CD1-CD1 3.8Å; T520-L730 HydrophobicContact CG2-CD1 3.92Å; T520-L730 HydrophobicContact CG2-CD2 3.94Å; V521-L730 HydrophobicContact CG2-CD1 3.73Å; Y696-L730 HydrophobicContact CE2-CB 4.47Å; T726-L730 HydrophobicContact CG2-CD1 4.15Å; T726-L730 HydrophobicContact CG2-CG 4.38Å; T726-L730 VanDerWaalsContact O-CG 3.31Å; T726-L730 WeakPolarHBondContact O-CG 3.24Å; T726-L730 PolarHBondContact O-N 3.15Å; V727-L730 PolarHBondContact O-N 3.36Å; L730-V732 VanDerWaalsContact C-N 3.34Å; L730-V732 PolarHBondContact O-N 3.41Å; L730-R733 WeakPolarHBondContact O-CB 3.38Å; L730-R733 PolarHBondContact O-N 3.38Å; L730-D734 WeakPolarHBondContact O-CB 3.39Å; L730-D734 VanDerWaalsContact O-CG 3.22Å; L730-D734 PolarHBondContact O-N 3.5Å; L730-A767 HydrophobicContact CD2-CB 4.4Å
731	A	94	Very high	90.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.7	-40.9	176.8	0	0	0	0	0	112.3	Y696 V699 L700 V727 V728 D734 F735	Y696-A731 HydrophobicContact CD2-CB 3.63Å; Y696-A731 VanDerWaalsContact CE2-CA 3.42Å; Y696-A731 HydrophobicContact CE2-CB 3.69Å; Y696-A731 HydrophobicContact CG-CB 4.12Å; V699-A731 HydrophobicContact CB-CB 3.86Å; V699-A731 HydrophobicContact CG1-CB 3.57Å; L700-A731 HydrophobicContact CD2-CB 4.48Å; L700-A731 WeakPolarHBondContact CD2-O 3.47Å; V727-A731 WeakPolarHBondContact O-CB 3.28Å; V727-A731 PolarHBondContact O-N 2.85Å; V728-A731 PolarHBondContact O-N 2.99Å; A731-D734 PolarHBondContact O-N 2.66Å; A731-F735 VanDerWaalsContact O-CB 3.27Å; A731-F735 WeakPolarHBondContact O-CB 3.43Å; A731-F735 PolarHBondContact O-N 3.26Å
732	V	94	Very high	89.8	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-70.2	-38.6	176.5	166.8	0	0	0	0	112.2	V699 L703 V728 F729 L730 D734 F735 L736 A743 I745 V777	V699-V732 HydrophobicContact CG1-CG2 4.14Å; L703-V732 HydrophobicContact CD1-CG2 4.05Å; V728-V732 WeakPolarHBondContact O-CG2 3.42Å; V728-V732 PolarHBondContact O-N 2.94Å; F729-V732 PolarHBondContact O-N 2.9Å; L730-V732 VanDerWaalsContact C-N 3.34Å; L730-V732 PolarHBondContact O-N 3.41Å; V732-D734 VanDerWaalsContact C-N 3.34Å; V732-F735 PolarHBondContact O-N 2.98Å; V732-L736 PolarHBondContact O-N 3.3Å; V732-A743 HydrophobicContact CG1-CB 4.14Å; V732-I745 HydrophobicContact CB-CD1 3.79Å; V732-I745 HydrophobicContact CB-CG1 4.21Å; V732-I745 HydrophobicContact CG1-CD1 4.06Å; V732-I745 HydrophobicContact CG1-CG1 4.31Å; V732-I745 HydrophobicContact CG2-CD1 3.75Å; V732-I745 HydrophobicContact CG2-CG1 3.69Å; V732-V777 HydrophobicContact CG1-CG1 4.27Å
733	R	92.3	Very high	89.7	Confident	52 Å²	52	40.9 Å²	40.9	20%	0.196	20%	0.195	C	C	.	.	H	α-helix	trans	-58.8	-49.3	172.4	-178.3	-161.9	66.2	-166.2	0.5	110.5	F729 L730 F735 L736 F737 A767 I768 E771	F729-R733 WeakPolarHBondContact O-CB 3.34Å; F729-R733 PolarHBondContact O-N 3.2Å; L730-R733 WeakPolarHBondContact O-CB 3.38Å; L730-R733 PolarHBondContact O-N 3.38Å; R733-F735 VanDerWaalsContact C-N 3.31Å; R733-F735 PolarHBondContact O-N 3.14Å; R733-L736 WeakPolarHBondContact O-CB 3.43Å; R733-L736 PolarHBondContact O-N 3.45Å; R733-F737 PolarHBondContact O-N 2.83Å; R733-A767 WeakPolarHBondContact CD-O 3.24Å; R733-I768 HydrophobicContact CB-CD1 3.94Å; R733-E771 HydrophobicContact CG-CG 4.22Å
734	D	89.6	Confident	89.8	Confident	24 Å²	24	39.4 Å²	39.4	13%	0.128	19%	0.191	C	C	.	.	H	α-helix	trans	-69.5	-34.5	-176.9	-66.2	-5.9	0	0	0	110.3	Y696 L730 A731 V732 F737 I738	Y696-D734 VanDerWaalsContact OH-CB 3.23Å; Y696-D734 WeakPolarHBondContact OH-CB 3.45Å; Y696-D734 PolarHBondContact OH-OD2 2.83Å; L730-D734 WeakPolarHBondContact O-CB 3.39Å; L730-D734 VanDerWaalsContact O-CG 3.22Å; L730-D734 PolarHBondContact O-N 3.5Å; A731-D734 PolarHBondContact O-N 2.66Å; V732-D734 VanDerWaalsContact C-N 3.34Å; D734-F737 PolarHBondContact O-N 3.13Å; D734-I738 WeakPolarHBondContact O-CB 3.49Å; D734-I738 WeakPolarHBondContact O-CD1 3.46Å; D734-I738 WeakPolarHBondContact O-CG1 3.32Å; D734-I738 PolarHBondContact O-N 3.36Å
735	F	89.1	Confident	89.9	Confident	4 Å²	4	38 Å²	38	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-45.3	169.7	179.9	-97	0	0	0	112.6	L700 L703 M704 A731 V732 R733 F737 I738 F739 R741 A743	L700-F735 HydrophobicContact CD2-CB 3.83Å; L700-F735 HydrophobicContact CD2-CD2 4.31Å; L703-F735 HydrophobicContact CB-CD1 4.29Å; L703-F735 HydrophobicContact CB-CD2 3.72Å; L703-F735 HydrophobicContact CB-CE1 4.08Å; L703-F735 HydrophobicContact CB-CE2 3.5Å; L703-F735 HydrophobicContact CB-CG 4.12Å; L703-F735 HydrophobicContact CB-CZ 3.7Å; L703-F735 HydrophobicContact CD1-CB 3.88Å; L703-F735 HydrophobicContact CD1-CD1 3.8Å; L703-F735 HydrophobicContact CD1-CD2 3.99Å; L703-F735 HydrophobicContact CD1-CE1 4.33Å; L703-F735 HydrophobicContact CD1-CG 3.6Å; M704-F735 HydrophobicContact CG-CE2 4.28Å; A731-F735 VanDerWaalsContact O-CB 3.27Å; A731-F735 WeakPolarHBondContact O-CB 3.43Å; A731-F735 PolarHBondContact O-N 3.26Å; V732-F735 PolarHBondContact O-N 2.98Å; R733-F735 VanDerWaalsContact C-N 3.31Å; R733-F735 PolarHBondContact O-N 3.14Å; F735-F737 VanDerWaalsContact C-N 3.33Å; F735-F737 PolarHBondContact O-N 2.96Å; F735-I738 PolarHBondContact O-N 3.46Å; F735-F739 HydrophobicContact CD2-CB 4.48Å; F735-F739 AromaticContact CD2-CD2 3.27Å; F735-F739 HydrophobicContact CD2-CD2 3.27Å; F735-F739 AromaticContact CD2-CE2 3.75Å; F735-F739 HydrophobicContact CD2-CE2 3.75Å; F735-F739 HydrophobicContact CD2-CG 4.14Å; F735-F739 HydrophobicContact CE2-CB 4.17Å; F735-F739 AromaticContact CE2-CD2 3.44Å; F735-F739 HydrophobicContact CE2-CD2 3.44Å; F735-F739 VanDerWaalsContact CE2-CD2 3.44Å; F735-F739 AromaticContact CE2-CE2 3.98Å; F735-F739 HydrophobicContact CE2-CE2 3.98Å; F735-F739 AromaticContact CE2-CG 3.9Å; F735-F739 HydrophobicContact CE2-CG 3.9Å; F735-F739 HydrophobicContact CG-CD2 4.03Å; F735-F739 HydrophobicContact CZ-CB 4.25Å; F735-F739 HydrophobicContact CZ-CD2 4.33Å; F735-F739 HydrophobicContact CZ-CG 4.44Å; F735-F739 WeakPolarHBondContact O-CB 3.27Å; F735-F739 PolarHBondContact O-N 2.97Å; F735-R741 VanDerWaalsContact CD1-O 3.26Å; F735-R741 WeakPolarHBondContact CD1-O 3.43Å; F735-R741 HydrophobicContact CE1-CB 3.68Å; F735-R741 HydrophobicContact CE1-CG 3.88Å; F735-R741 WeakPolarHBondContact CE1-O 3.44Å; F735-R741 HydrophobicContact CZ-CB 4.13Å; F735-R741 HydrophobicContact CZ-CG 4.31Å; F735-A743 HydrophobicContact CD1-CB 4.42Å
736	L	85.9	Confident	89.9	Confident	25 Å²	25	38 Å²	38	13%	0.131	18%	0.183	C	C	.	.	H	α-helix	trans	-59.6	-45.8	174.6	173.1	62.3	0	0	0	110.8	V732 R733 N740 R741 T742 E771 A772	V732-L736 PolarHBondContact O-N 3.3Å; R733-L736 WeakPolarHBondContact O-CB 3.43Å; R733-L736 PolarHBondContact O-N 3.45Å; L736-N740 WeakPolarHBondContact O-CA 3.39Å; L736-N740 PolarHBondContact O-N 2.68Å; L736-R741 WeakPolarHBondContact CA-O 3.49Å; L736-T742 HydrophobicContact CD1-CG2 3.78Å; L736-E771 HydrophobicContact CD2-CB 4.31Å; L736-A772 HydrophobicContact CD2-CB 4.09Å
737	F	83.3	Confident	89.9	Confident	156 Å²	156	38 Å²	38	68%	0.684	18%	0.183	S	C	*	.	H	α-helix	trans	-64	-43.4	179.4	-179.1	-96	0	0	0	112.8	R733 D734 F735	R733-F737 PolarHBondContact O-N 2.83Å; D734-F737 PolarHBondContact O-N 3.13Å; F735-F737 VanDerWaalsContact C-N 3.33Å; F735-F737 PolarHBondContact O-N 2.96Å
738	I	79.5	Confident	89.9	Confident	84 Å²	84	40.3 Å²	40.3	43%	0.431	19%	0.193	S	C	.	.	H	α-helix	trans	-76.2	-44.1	-175.5	-66.2	164.2	0	0	0	111.5	D734 F735	D734-I738 WeakPolarHBondContact O-CB 3.49Å; D734-I738 WeakPolarHBondContact O-CD1 3.46Å; D734-I738 WeakPolarHBondContact O-CG1 3.32Å; D734-I738 PolarHBondContact O-N 3.36Å; F735-I738 PolarHBondContact O-N 3.46Å
739	F	79.4	Confident	89.8	Confident	74 Å²	74	40.3 Å²	40.3	33%	0.325	19%	0.193	S	C	.	.	H	α-helix	trans	-107.7	-1	-170.3	-61.8	-79.7	0	0	0	113.8	M510 M704 F735 R741	M510-F739 HydrophobicContact CE-CE1 3.94Å; M510-F739 HydrophobicContact CE-CZ 4.01Å; M704-F739 HydrophobicContact CE-CZ 4.24Å; M704-F739 HydrophobicContact CG-CE2 4.17Å; M704-F739 HydrophobicContact CG-CZ 3.96Å; M704-F739 HydrophobicContact SD-CE2 4.36Å; M704-F739 HydrophobicContact SD-CZ 3.97Å; F735-F739 HydrophobicContact CD2-CB 4.48Å; F735-F739 AromaticContact CD2-CD2 3.27Å; F735-F739 HydrophobicContact CD2-CD2 3.27Å; F735-F739 AromaticContact CD2-CE2 3.75Å; F735-F739 HydrophobicContact CD2-CE2 3.75Å; F735-F739 HydrophobicContact CD2-CG 4.14Å; F735-F739 HydrophobicContact CE2-CB 4.17Å; F735-F739 AromaticContact CE2-CD2 3.44Å; F735-F739 HydrophobicContact CE2-CD2 3.44Å; F735-F739 VanDerWaalsContact CE2-CD2 3.44Å; F735-F739 AromaticContact CE2-CE2 3.98Å; F735-F739 HydrophobicContact CE2-CE2 3.98Å; F735-F739 AromaticContact CE2-CG 3.9Å; F735-F739 HydrophobicContact CE2-CG 3.9Å; F735-F739 HydrophobicContact CG-CD2 4.03Å; F735-F739 HydrophobicContact CZ-CB 4.25Å; F735-F739 HydrophobicContact CZ-CD2 4.33Å; F735-F739 HydrophobicContact CZ-CG 4.44Å; F735-F739 WeakPolarHBondContact O-CB 3.27Å; F735-F739 PolarHBondContact O-N 2.97Å; F739-R741 HydrophobicContact CB-CB 4.44Å; F739-R741 PolarHBondContact O-N 2.78Å; F739-R741 VanDerWaalsContact O-N 3.1Å
740	N	77.6	Confident	89.5	Confident	120 Å²	120	42.1 Å²	42.1	64%	0.642	21%	0.207	S	C	*	.			trans	50.3	32.1	-173.9	-165.1	40	0	0	0	113.2	L736	L736-N740 WeakPolarHBondContact O-CA 3.39Å; L736-N740 PolarHBondContact O-N 2.68Å
741	R	79.8	Confident	89.3	Confident	80 Å²	80	47.4 Å²	47.4	30%	0.302	24%	0.236	S	C	.	.			trans	-122.6	127.4	-177.4	-177.3	176.2	169.7	-142.2	-4.2	110	L703 G706 F707 D708 F735 L736 F739	L703-R741 PolarHBondContact O-NH1 3.37Å; L703-R741 VanDerWaalsContact O-NH1 3.07Å; G706-R741 PolarHBondContact O-NH2 3.16Å; F707-R741 PolarHBondContact O-NH2 3.08Å; D708-R741 IonicContact OD1-CZ 3.59Å; D708-R741 IonicContact OD1-NH2 2.7Å; D708-R741 PolarHBondContact OD1-NH2 3.41Å; F735-R741 VanDerWaalsContact CD1-O 3.26Å; F735-R741 WeakPolarHBondContact CD1-O 3.43Å; F735-R741 HydrophobicContact CE1-CB 3.68Å; F735-R741 HydrophobicContact CE1-CG 3.88Å; F735-R741 WeakPolarHBondContact CE1-O 3.44Å; F735-R741 HydrophobicContact CZ-CB 4.13Å; F735-R741 HydrophobicContact CZ-CG 4.31Å; L736-R741 WeakPolarHBondContact CA-O 3.49Å; F739-R741 HydrophobicContact CB-CB 4.44Å; F739-R741 PolarHBondContact O-N 2.78Å; F739-R741 VanDerWaalsContact O-N 3.1Å
742	T	84.9	Confident	89.2	Confident	105 Å²	105	47.9 Å²	47.9	64%	0.644	24%	0.238	S	C	*	.			trans	-77.4	143.5	177	56	0	0	0	0	111	L736	L736-T742 HydrophobicContact CD1-CG2 3.78Å
743	A	92.2	Very high	89	Confident	7 Å²	7	50.4 Å²	50.4	6%	0.058	25%	0.253	C	S	.	.			trans	-135.1	150.9	172.3	0	0	0	0	0	109.8	L703 D708 V732 F735	L703-A743 HydrophobicContact CD1-CB 3.99Å; L703-A743 HydrophobicContact CD2-CB 3.52Å; L703-A743 HydrophobicContact CG-CB 4.39Å; D708-A743 WeakPolarHBondContact O-CA 3.33Å; V732-A743 HydrophobicContact CG1-CB 4.14Å; F735-A743 HydrophobicContact CD1-CB 4.42Å
744	K	95.1	Very high	88.9	Confident	61 Å²	61	49.3 Å²	49.3	27%	0.265	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	148	179.1	-65.4	-180	178.8	174.1	0	112.1	D708 S709 I710 I746 V777	D708-K744 PolarHBondContact O-N 3.09Å; S709-K744 CarbonylContact C-O 3.53Å; S709-K744 WeakPolarHBondContact CA-O 3.36Å; S709-K744 WeakPolarHBondContact CB-O 2.93Å; I710-K744 PolarHBondContact N-O 3.04Å; K744-I746 HydrophobicContact CB-CD1 4.37Å; K744-V777 CarbonylContact C-O 3.57Å; K744-V777 WeakPolarHBondContact CA-O 3.41Å
745	I	96.9	Very high	88.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.8	174.5	-60.8	165	0	0	0	108.2	I710 V728 F729 V732 I747 V777 V778 R779	I710-I745 CarbonylContact O-C 3.54Å; I710-I745 WeakPolarHBondContact O-CA 3.44Å; V728-I745 HydrophobicContact CG1-CD1 4.18Å; V728-I745 HydrophobicContact CG1-CG1 4.08Å; V728-I745 HydrophobicContact CG1-CG2 4.01Å; F729-I745 HydrophobicContact CB-CD1 4.32Å; F729-I745 HydrophobicContact CD1-CD1 3.15Å; F729-I745 HydrophobicContact CD1-CG1 4.44Å; F729-I745 HydrophobicContact CE1-CB 4.15Å; F729-I745 HydrophobicContact CE1-CD1 3.56Å; F729-I745 HydrophobicContact CE1-CG1 4.5Å; F729-I745 HydrophobicContact CE1-CG2 4.06Å; F729-I745 HydrophobicContact CG-CD1 3.96Å; F729-I745 HydrophobicContact CZ-CG2 4.4Å; V732-I745 HydrophobicContact CB-CD1 3.79Å; V732-I745 HydrophobicContact CB-CG1 4.21Å; V732-I745 HydrophobicContact CG1-CD1 4.06Å; V732-I745 HydrophobicContact CG1-CG1 4.31Å; V732-I745 HydrophobicContact CG2-CD1 3.75Å; V732-I745 HydrophobicContact CG2-CG1 3.69Å; I745-I747 HydrophobicContact CG2-CG1 4.31Å; I745-V777 HydrophobicContact CD1-CG1 4.12Å; I745-V777 HydrophobicContact CG1-CG1 4.49Å; I745-V777 PolarHBondContact N-O 2.87Å; I745-V778 CarbonylContact O-C 3.56Å; I745-V778 VanDerWaalsContact O-CA 3.32Å; I745-V778 WeakPolarHBondContact O-CA 3.39Å; I745-R779 PolarHBondContact O-N 3.35Å
746	I	96.9	Very high	89.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.5	178.2	-61.2	92	0	0	0	107.9	R681 I710 Q711 I712 K744 R779 T781	R681-I746 HydrophobicContact CG-CD1 4.24Å; I710-I746 PolarHBondContact O-N 3.42Å; Q711-I746 CarbonylContact C-O 3.53Å; Q711-I746 VanDerWaalsContact CA-O 3.25Å; Q711-I746 WeakPolarHBondContact CA-O 3.46Å; Q711-I746 HydrophobicContact CB-CB 3.92Å; Q711-I746 HydrophobicContact CB-CG2 4.3Å; Q711-I746 HydrophobicContact CG-CB 4.04Å; Q711-I746 HydrophobicContact CG-CG2 3.89Å; I712-I746 PolarHBondContact N-O 2.88Å; K744-I746 HydrophobicContact CB-CD1 4.37Å; I746-R779 WeakPolarHBondContact CA-O 3.46Å; I746-R779 HydrophobicContact CG1-CB 4.1Å; I746-T781 HydrophobicContact CG2-CG2 3.27Å
747	I	95.9	Very high	89.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	112.5	174.3	-56.6	178.8	0	0	0	107.9	I712 T714 M717 F729 I745 W752 V778 R779 L780 T781	I712-I747 HydrophobicContact CD1-CG1 4.35Å; I712-I747 HydrophobicContact CG1-CG1 4.27Å; T714-I747 HydrophobicContact CG2-CG2 3.95Å; M717-I747 HydrophobicContact SD-CG2 4.02Å; F729-I747 HydrophobicContact CE2-CD1 4.08Å; F729-I747 HydrophobicContact CZ-CD1 3.75Å; I745-I747 HydrophobicContact CG2-CG1 4.31Å; I747-W752 HydrophobicContact CB-CH2 4.38Å; I747-W752 HydrophobicContact CB-CZ2 4.27Å; I747-W752 HydrophobicContact CG2-CH2 3.74Å; I747-W752 HydrophobicContact CG2-CZ2 3.83Å; I747-V778 HydrophobicContact CD1-CG2 4.38Å; I747-R779 PolarHBondContact N-O 2.92Å; I747-L780 HydrophobicContact CB-CD2 4.02Å; I747-L780 HydrophobicContact CD1-CD2 4.26Å; I747-L780 HydrophobicContact CG1-CD2 4.45Å; I747-T781 WeakPolarHBondContact O-CG2 3.32Å; I747-T781 PolarHBondContact O-N 3.36Å
748	Y	94.8	Very high	90	Very high	50 Å²	50	49.3 Å²	49.3	20%	0.196	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.3	171	175.7	-99.2	0	0	0	110.6	K554 I712 T713 T714 T781	K554-Y748 HydrophobicContact CD-CD2 4.37Å; K554-Y748 HydrophobicContact CD-CE2 3.99Å; I712-Y748 PolarHBondContact O-N 3.47Å; T713-Y748 WeakPolarHBondContact CA-O 3.49Å; T713-Y748 HydrophobicContact CG2-CD1 3.8Å; T713-Y748 HydrophobicContact CG2-CE1 4.29Å; T714-Y748 PolarHBondContact N-O 3.12Å; T714-Y748 PolarHBondContact OG1-O 3.4Å; Y748-T781 WeakPolarHBondContact CA-O 3.43Å; Y748-T781 HydrophobicContact CD2-CG2 3.97Å; Y748-T781 HydrophobicContact CG-CG2 4.33Å
749	N	93.4	Very high	90.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	130.2	170.1	-164.7	-64.9	0	0	0	110.3	T714 H715 N751 W752 T781	T714-N749 PolarHBondContact O-ND2 2.83Å; T714-N749 PolarHBondContact OG1-ND2 3.27Å; H715-N749 PolarHBondContact O-ND2 3.06Å; H715-N749 PolarHBondContact O-OD1 3.25Å; N749-N751 VanDerWaalsContact C-N 3.31Å; N749-N751 WeakPolarHBondContact OD1-CA 3.34Å; N749-N751 PolarHBondContact OD1-N 3.12Å; N749-W752 HydrophobicContact CB-CD2 3.7Å; N749-W752 HydrophobicContact CB-CE3 4.2Å; N749-W752 HydrophobicContact CB-CG 4.09Å; N749-W752 HydrophobicContact CB-CH2 4.13Å; N749-W752 HydrophobicContact CB-CZ2 3.64Å; N749-W752 HydrophobicContact CB-CZ3 4.38Å; N749-W752 PolarHBondContact O-NE1 3.09Å; N749-W752 PolarHBondContact OD1-N 3.21Å; N749-T781 PolarHBondContact N-O 3.14Å; N749-T781 VanDerWaalsContact N-O 3.14Å
750	A	90.6	Very high	91.3	Very high	37 Å²	37	43.1 Å²	43.1	31%	0.306	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-22.5	179.8	0	0	0	0	0	113.3	P783	A750-P783 WeakPolarHBondContact O-CG 3.19Å
751	N	90.1	Very high	92.1	Very high	112 Å²	112	37.6 Å²	37.6	60%	0.599	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.1	50.1	-170.7	-63.4	-38.9	0	0	0	110.5	N749 T753 K756	N749-N751 VanDerWaalsContact C-N 3.31Å; N749-N751 WeakPolarHBondContact OD1-CA 3.34Å; N749-N751 PolarHBondContact OD1-N 3.12Å; N751-T753 PolarHBondContact O-N 2.91Å; N751-K756 PolarHBondContact O-NZ 3.44Å
752	W	91.1	Very high	92.8	Very high	11 Å²	11	35.2 Å²	35.2	4%	0.042	19%	0.185	C	C	.	.			trans	-55	127	175	-80.7	116.4	0	0	0	110.7	M717 I747 N749 K756 A757 L780 T781 L785	M717-W752 HydrophobicContact CE-CH2 4.35Å; M717-W752 HydrophobicContact CE-CZ3 4.42Å; M717-W752 HydrophobicContact CG-CH2 4.43Å; M717-W752 HydrophobicContact CG-CZ3 4.15Å; M717-W752 HydrophobicContact SD-CH2 4.32Å; I747-W752 HydrophobicContact CB-CH2 4.38Å; I747-W752 HydrophobicContact CB-CZ2 4.27Å; I747-W752 HydrophobicContact CG2-CH2 3.74Å; I747-W752 HydrophobicContact CG2-CZ2 3.83Å; N749-W752 HydrophobicContact CB-CD2 3.7Å; N749-W752 HydrophobicContact CB-CE3 4.2Å; N749-W752 HydrophobicContact CB-CG 4.09Å; N749-W752 HydrophobicContact CB-CH2 4.13Å; N749-W752 HydrophobicContact CB-CZ2 3.64Å; N749-W752 HydrophobicContact CB-CZ3 4.38Å; N749-W752 PolarHBondContact O-NE1 3.09Å; N749-W752 PolarHBondContact OD1-N 3.21Å; W752-K756 HydrophobicContact CE3-CB 3.79Å; W752-K756 HydrophobicContact CZ3-CB 3.89Å; W752-A757 HydrophobicContact CE3-CB 3.99Å; W752-A757 HydrophobicContact CZ3-CB 4.3Å; W752-L780 HydrophobicContact CH2-CD2 4.01Å; W752-L780 HydrophobicContact CZ2-CB 4.27Å; W752-L780 HydrophobicContact CZ2-CD2 4.11Å; W752-T781 PolarHBondContact NE1-O 2.86Å; W752-L785 HydrophobicContact CB-CB 4.11Å; W752-L785 HydrophobicContact CB-CD1 3.98Å; W752-L785 HydrophobicContact CD2-CD1 4.07Å; W752-L785 HydrophobicContact CG-CB 3.96Å; W752-L785 HydrophobicContact CG-CD1 3.81Å; W752-L785 HydrophobicContact CG-CG 4.29Å
753	T	90.2	Very high	93.3	Very high	57 Å²	57	30.3 Å²	30.3	35%	0.35	16%	0.155	S	C	.	.			trans	-111.7	161.4	161.1	73.4	0	0	0	0	108.1	N751 Q755 K756 A757	N751-T753 PolarHBondContact O-N 2.91Å; T753-Q755 PolarHBondContact O-N 3.32Å; T753-K756 HydrophobicContact CG2-CD 4.37Å; T753-K756 PolarHBondContact O-N 3.4Å; T753-K756 VanDerWaalsContact O-N 3.15Å; T753-K756 WeakPolarHBondContact OG1-CG 3.47Å; T753-K756 PolarHBondContact OG1-N 3.04Å; T753-A757 PolarHBondContact O-N 3.06Å
754	L	90.1	Very high	93.4	Very high	29 Å²	29	30 Å²	30	15%	0.152	15%	0.152	C	C	.	.	H	α-helix	trans	-55.2	-41.8	176.9	-166.6	70.8	0	0	0	112	L544 A757 V758 V789 A792	L544-L754 HydrophobicContact CD1-CD1 4.48Å; L544-L754 HydrophobicContact CD2-CD1 3.4Å; L544-L754 VanDerWaalsContact CD2-CD1 3.4Å; L544-L754 HydrophobicContact CD2-CG 4.22Å; L754-A757 PolarHBondContact O-N 3.23Å; L754-V758 WeakPolarHBondContact O-CB 3.49Å; L754-V758 VanDerWaalsContact O-CG2 3.27Å; L754-V758 WeakPolarHBondContact O-CG2 3.37Å; L754-V758 PolarHBondContact O-N 2.95Å; L754-V789 HydrophobicContact CD1-CG2 4.26Å; L754-A792 HydrophobicContact CD1-CB 3.77Å; L754-A792 HydrophobicContact CD2-CB 3.53Å; L754-A792 HydrophobicContact CG-CB 4.28Å
755	Q	90.8	Very high	93.4	Very high	162 Å²	162	30.1 Å²	30.1	76%	0.757	15%	0.154	S	C	*	.	H	α-helix	trans	-63.1	-43.9	179.2	-67.5	168.4	-12.7	0	0	111.6	T753 L759	T753-Q755 PolarHBondContact O-N 3.32Å; Q755-L759 VanDerWaalsContact O-CB 3.28Å; Q755-L759 WeakPolarHBondContact O-CB 3.49Å; Q755-L759 PolarHBondContact O-N 3.15Å
756	K	93.1	Very high	93.2	Very high	33 Å²	33	30.7 Å²	30.7	14%	0.143	16%	0.159	C	C	.	.	H	α-helix	trans	-63.2	-44.2	177.2	-68	-179.2	-177.2	-171	0	111.5	H715 D716 M717 N751 W752 T753 L759 G760	H715-K756 PolarHBondContact O-NZ 3.02Å; D716-K756 WeakPolarHBondContact O-CE 3.43Å; D716-K756 IonicContact OD1-NZ 3.74Å; M717-K756 HydrophobicContact CB-CB 4.09Å; M717-K756 HydrophobicContact CB-CD 4.18Å; M717-K756 HydrophobicContact CB-CG 3.94Å; M717-K756 HydrophobicContact CG-CB 4.23Å; M717-K756 HydrophobicContact CG-CD 4.42Å; M717-K756 HydrophobicContact CG-CG 4.46Å; N751-K756 PolarHBondContact O-NZ 3.44Å; W752-K756 HydrophobicContact CE3-CB 3.79Å; W752-K756 HydrophobicContact CZ3-CB 3.89Å; T753-K756 HydrophobicContact CG2-CD 4.37Å; T753-K756 PolarHBondContact O-N 3.4Å; T753-K756 VanDerWaalsContact O-N 3.15Å; T753-K756 WeakPolarHBondContact OG1-CG 3.47Å; T753-K756 PolarHBondContact OG1-N 3.04Å; K756-L759 PolarHBondContact O-N 3.01Å; K756-G760 PolarHBondContact O-N 3.2Å
757	A	92.9	Very high	93	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-65.3	-45.1	-179.3	0	0	0	0	0	112	I547 W752 T753 L754 G760 Y761 L780 L785	I547-A757 HydrophobicContact CD1-CB 4.33Å; W752-A757 HydrophobicContact CE3-CB 3.99Å; W752-A757 HydrophobicContact CZ3-CB 4.3Å; T753-A757 PolarHBondContact O-N 3.06Å; L754-A757 PolarHBondContact O-N 3.23Å; A757-G760 PolarHBondContact O-N 3.28Å; A757-Y761 PolarHBondContact O-N 3.28Å; A757-L780 HydrophobicContact CB-CD1 4.27Å; A757-L785 HydrophobicContact CB-CD1 3.7Å
758	V	93.9	Very high	92.7	Very high	13 Å²	13	30.9 Å²	30.9	8%	0.079	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-47.9	174.4	164.4	0	0	0	0	111	M535 L543 L544 I547 L754 G760 Y761 K762	M535-V758 HydrophobicContact CE-CG1 3.32Å; L543-V758 HydrophobicContact CD2-CB 4.26Å; L543-V758 HydrophobicContact CD2-CG1 3.77Å; L543-V758 HydrophobicContact CD2-CG2 4.02Å; L544-V758 HydrophobicContact CD2-CG2 4.32Å; I547-V758 HydrophobicContact CD1-CG2 3.92Å; L754-V758 WeakPolarHBondContact O-CB 3.49Å; L754-V758 VanDerWaalsContact O-CG2 3.27Å; L754-V758 WeakPolarHBondContact O-CG2 3.37Å; L754-V758 PolarHBondContact O-N 2.95Å; V758-G760 PolarHBondContact O-N 2.85Å; V758-Y761 PolarHBondContact O-N 3.43Å; V758-K762 WeakPolarHBondContact O-CB 3.41Å; V758-K762 WeakPolarHBondContact O-CG 3.39Å; V758-K762 PolarHBondContact O-N 3.03Å
759	L	94.2	Very high	91.9	Very high	28 Å²	28	31.5 Å²	31.5	15%	0.147	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-42.8	178.9	-178.5	60.1	0	0	0	111.9	A528 K529 L722 Q755 K756 Y761 K762 L763	A528-L759 HydrophobicContact CB-CD1 4.37Å; K529-L759 HydrophobicContact CG-CD1 4.09Å; L722-L759 HydrophobicContact CD1-CD2 4.06Å; L722-L759 HydrophobicContact CD2-CD2 3.84Å; L722-L759 HydrophobicContact CD2-CG 4.11Å; Q755-L759 VanDerWaalsContact O-CB 3.28Å; Q755-L759 WeakPolarHBondContact O-CB 3.49Å; Q755-L759 PolarHBondContact O-N 3.15Å; K756-L759 PolarHBondContact O-N 3.01Å; L759-Y761 PolarHBondContact O-N 3.04Å; L759-K762 PolarHBondContact O-N 3.32Å; L759-L763 VanDerWaalsContact O-CB 3.28Å; L759-L763 WeakPolarHBondContact O-CB 3.31Å; L759-L763 PolarHBondContact O-N 2.89Å
760	G	93.5	Very high	90.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-41.6	177.2	0	0	0	0	0	112.9	K756 A757 V758 L763 C764	K756-G760 PolarHBondContact O-N 3.2Å; A757-G760 PolarHBondContact O-N 3.28Å; V758-G760 PolarHBondContact O-N 2.85Å; G760-L763 PolarHBondContact O-N 3.41Å; G760-C764 PolarHBondContact O-N 3.23Å
761	Y	94.7	Very high	89.9	Confident	4 Å²	4	40 Å²	40	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-45.4	175.4	-169	-79.1	0	0	0	111.9	L543 M546 I547 V550 A757 V758 L759 L763 C764 E765 P774 V778	L543-Y761 HydrophobicContact CD1-CD1 3.22Å; L543-Y761 HydrophobicContact CD1-CD2 4.38Å; L543-Y761 HydrophobicContact CD1-CE1 3.53Å; L543-Y761 HydrophobicContact CD1-CG 3.69Å; M546-Y761 HydrophobicContact CB-CE2 4.21Å; M546-Y761 VanDerWaalsContact CE-OH 3.28Å; M546-Y761 WeakPolarHBondContact CE-OH 3.25Å; I547-Y761 HydrophobicContact CG1-CD2 4.31Å; I547-Y761 HydrophobicContact CG1-CG 4.5Å; V550-Y761 HydrophobicContact CG1-CE2 4.04Å; V550-Y761 HydrophobicContact CG2-CD2 4.08Å; V550-Y761 HydrophobicContact CG2-CE2 4.21Å; A757-Y761 PolarHBondContact O-N 3.28Å; V758-Y761 PolarHBondContact O-N 3.43Å; L759-Y761 PolarHBondContact O-N 3.04Å; Y761-L763 VanDerWaalsContact C-N 3.25Å; Y761-L763 PolarHBondContact O-N 3.21Å; Y761-C764 WeakPolarHBondContact O-CB 3.46Å; Y761-C764 PolarHBondContact O-N 3.12Å; Y761-C764 VanDerWaalsContact O-N 3.17Å; Y761-E765 HydrophobicContact CD1-CG 4.3Å; Y761-E765 HydrophobicContact CE1-CG 4.04Å; Y761-E765 WeakPolarHBondContact CE1-OE1 3.31Å; Y761-E765 PolarHBondContact O-N 3.19Å; Y761-P774 HydrophobicContact CE1-CB 4.08Å; Y761-P774 HydrophobicContact CE1-CG 4.42Å; Y761-P774 HydrophobicContact CE2-CB 4.32Å; Y761-V778 HydrophobicContact CD2-CG1 4.16Å; Y761-V778 HydrophobicContact CE2-CG1 4.38Å
762	K	94.4	Very high	89.1	Confident	30 Å²	30	35.6 Å²	35.6	13%	0.13	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-30.1	176.7	-72.1	-51.1	-169.2	179.7	0	113.1	A528 M535 L543 V758 L759 E765 A766	A528-K762 HydrophobicContact CB-CB 4.38Å; M535-K762 HydrophobicContact CE-CG 4.42Å; M535-K762 WeakPolarHBondContact SD-CE 3.48Å; L543-K762 HydrophobicContact CD2-CD 4.47Å; L543-K762 HydrophobicContact CD2-CG 4.41Å; V758-K762 WeakPolarHBondContact O-CB 3.41Å; V758-K762 WeakPolarHBondContact O-CG 3.39Å; V758-K762 PolarHBondContact O-N 3.03Å; L759-K762 PolarHBondContact O-N 3.32Å; K762-E765 WeakPolarHBondContact CD-OE2 3.35Å; K762-E765 WeakPolarHBondContact CE-OE2 3.4Å; K762-E765 IonicContact NZ-OE1 3.92Å; K762-E765 IonicContact NZ-OE2 2.66Å; K762-E765 PolarHBondContact NZ-OE2 3.05Å; K762-E765 PolarHBondContact O-N 2.87Å; K762-A766 PolarHBondContact O-N 3.3Å
763	L	95	Very high	88.6	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-66.9	-41.8	173.5	-170	66.6	0	0	0	111.6	I525 A528 L722 A725 T726 F729 L759 G760 Y761 E765 A766 A767	I525-L763 HydrophobicContact CG1-CD1 3.97Å; A528-L763 HydrophobicContact CB-CB 4.26Å; A528-L763 HydrophobicContact CB-CD1 3.92Å; L722-L763 HydrophobicContact CD2-CD2 4Å; A725-L763 HydrophobicContact CB-CD2 4.03Å; T726-L763 WeakPolarHBondContact OG1-CD1 3.3Å; F729-L763 HydrophobicContact CD2-CD2 4.35Å; F729-L763 HydrophobicContact CD2-CG 4.23Å; F729-L763 HydrophobicContact CE2-CB 4.41Å; F729-L763 HydrophobicContact CE2-CD2 4.16Å; F729-L763 HydrophobicContact CE2-CG 4.2Å; L759-L763 VanDerWaalsContact O-CB 3.28Å; L759-L763 WeakPolarHBondContact O-CB 3.31Å; L759-L763 PolarHBondContact O-N 2.89Å; G760-L763 PolarHBondContact O-N 3.41Å; Y761-L763 VanDerWaalsContact C-N 3.25Å; Y761-L763 PolarHBondContact O-N 3.21Å; L763-E765 VanDerWaalsContact C-N 3.35Å; L763-A766 PolarHBondContact O-N 3.05Å; L763-A767 WeakPolarHBondContact O-CB 3.46Å; L763-A767 PolarHBondContact O-N 3.4Å
764	C	95	Very high	88.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.9	-46.5	172	-176.1	0	0	0	0	111.3	F729 G760 Y761 A766 A767 I768 V778	F729-C764 HydrophobicContact CD1-CB 4.04Å; F729-C764 HydrophobicContact CE1-CB 3.43Å; F729-C764 VanDerWaalsContact CE1-CB 3.43Å; F729-C764 WeakPolarHBondContact CE1-SG 3.2Å; F729-C764 HydrophobicContact CE2-CB 4.25Å; F729-C764 HydrophobicContact CZ-CB 3.55Å; G760-C764 PolarHBondContact O-N 3.23Å; Y761-C764 WeakPolarHBondContact O-CB 3.46Å; Y761-C764 PolarHBondContact O-N 3.12Å; Y761-C764 VanDerWaalsContact O-N 3.17Å; C764-A766 PolarHBondContact O-N 3.43Å; C764-A767 PolarHBondContact O-N 2.96Å; C764-I768 WeakPolarHBondContact O-CB 3.35Å; C764-I768 WeakPolarHBondContact O-CG1 3.48Å; C764-I768 PolarHBondContact O-N 3.18Å; C764-V778 HydrophobicContact CB-CB 4.25Å; C764-V778 HydrophobicContact CB-CG1 4.3Å
765	E	93.2	Very high	88	Confident	64 Å²	64	38.8 Å²	38.8	30%	0.299	22%	0.219	S	C	.	.	H	α-helix	trans	-56.5	-48.9	176.7	-84.4	-178.6	161.9	0	0	112.3	Y761 K762 L763 A767 A769 P774	Y761-E765 HydrophobicContact CD1-CG 4.3Å; Y761-E765 HydrophobicContact CE1-CG 4.04Å; Y761-E765 WeakPolarHBondContact CE1-OE1 3.31Å; Y761-E765 PolarHBondContact O-N 3.19Å; K762-E765 WeakPolarHBondContact CD-OE2 3.35Å; K762-E765 WeakPolarHBondContact CE-OE2 3.4Å; K762-E765 IonicContact NZ-OE1 3.92Å; K762-E765 IonicContact NZ-OE2 2.66Å; K762-E765 PolarHBondContact NZ-OE2 3.05Å; K762-E765 PolarHBondContact O-N 2.87Å; L763-E765 VanDerWaalsContact C-N 3.35Å; E765-A767 PolarHBondContact O-N 3.46Å; E765-A769 WeakPolarHBondContact O-CA 3.43Å; E765-A769 PolarHBondContact O-N 3.15Å; E765-P774 HydrophobicContact CB-CG 4.28Å; E765-P774 HydrophobicContact CG-CB 4.01Å; E765-P774 HydrophobicContact CG-CG 3.2Å
766	A	93.5	Very high	87.8	Confident	13 Å²	13	35.8 Å²	35.8	11%	0.107	21%	0.208	C	C	.	.	H	α-helix	trans	-66.5	-35.7	-179	0	0	0	0	0	112.8	E527 A528 K762 L763 C764	E527-A766 HydrophobicContact CB-CB 4.25Å; E527-A766 HydrophobicContact CG-CB 4.16Å; A528-A766 HydrophobicContact CB-CB 4.21Å; K762-A766 PolarHBondContact O-N 3.3Å; L763-A766 PolarHBondContact O-N 3.05Å; C764-A766 PolarHBondContact O-N 3.43Å
767	A	93.5	Very high	87.7	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-81.8	-41.8	-176.6	0	0	0	0	0	113.3	F729 L730 R733 L763 C764 E765	F729-A767 HydrophobicContact CB-CB 3.43Å; F729-A767 VanDerWaalsContact CB-CB 3.43Å; F729-A767 HydrophobicContact CD2-CB 4.47Å; F729-A767 HydrophobicContact CG-CB 4.11Å; L730-A767 HydrophobicContact CD2-CB 4.4Å; R733-A767 WeakPolarHBondContact CD-O 3.24Å; L763-A767 WeakPolarHBondContact O-CB 3.46Å; L763-A767 PolarHBondContact O-N 3.4Å; C764-A767 PolarHBondContact O-N 2.96Å; E765-A767 PolarHBondContact O-N 3.46Å
768	I	88.4	Confident	87.8	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-81.7	-28.8	-178.8	-57.8	-59.8	0	0	0	111.8	F729 R733 C764 E771 A772 V777	F729-I768 HydrophobicContact CB-CD1 4.4Å; F729-I768 HydrophobicContact CD1-CD1 4.34Å; F729-I768 HydrophobicContact CD1-CG1 4.32Å; F729-I768 WeakPolarHBondContact O-CD1 3.45Å; R733-I768 HydrophobicContact CB-CD1 3.94Å; C764-I768 WeakPolarHBondContact O-CB 3.35Å; C764-I768 WeakPolarHBondContact O-CG1 3.48Å; C764-I768 PolarHBondContact O-N 3.18Å; I768-E771 WeakPolarHBondContact O-CB 3.38Å; I768-E771 PolarHBondContact O-N 3.47Å; I768-A772 HydrophobicContact CG2-CB 3.8Å; I768-V777 HydrophobicContact CD1-CG1 4.11Å; I768-V777 HydrophobicContact CG1-CG1 4.18Å; I768-V777 HydrophobicContact CG2-CG2 4.38Å
769	A	77.6	Confident	87.9	Confident	62 Å²	62	35.3 Å²	35.3	51%	0.512	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	52.8	-134.1	-179.8	0	0	0	0	0	113	E765 E771	E765-A769 WeakPolarHBondContact O-CA 3.43Å; E765-A769 PolarHBondContact O-N 3.15Å; A769-E771 VanDerWaalsContact C-N 3.31Å; A769-E771 PolarHBondContact O-N 3.39Å
770	S	72.3	Confident	88	Confident	114 Å²	114	34 Å²	34	80%	0.797	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-80.1	-4.8	-176.8	54.5	0	0	0	0	115
771	E	70.6	Confident	88.1	Confident	101 Å²	101	34 Å²	34	47%	0.472	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-72	-31.5	-173.2	-61.3	-59.2	151.4	0	0	112.6	R733 L736 I768 A769	R733-E771 HydrophobicContact CG-CG 4.22Å; L736-E771 HydrophobicContact CD2-CB 4.31Å; I768-E771 WeakPolarHBondContact O-CB 3.38Å; I768-E771 PolarHBondContact O-N 3.47Å; A769-E771 VanDerWaalsContact C-N 3.31Å; A769-E771 PolarHBondContact O-N 3.39Å
772	A	74.4	Confident	87.9	Confident	20 Å²	20	34 Å²	34	17%	0.165	20%	0.199	C	C	.	.	S	Bend	trans	-154.9	152.6	176.6	0	0	0	0	0	111.8	L736 I768 V777	L736-A772 HydrophobicContact CD2-CB 4.09Å; I768-A772 HydrophobicContact CG2-CB 3.8Å; A772-V777 HydrophobicContact CB-CG2 3.55Å
773	A	80.5	Confident	87.5	Confident	44 Å²	44	34.4 Å²	34.4	36%	0.364	21%	0.205	S	C	.	.			trans	-69.3	129.8	172.7	0	0	0	0	0	109.5	K775 D776 V777	A773-K775 HydrophobicContact CB-CG 4.1Å; A773-K775 PolarHBondContact O-N 3.31Å; A773-K775 VanDerWaalsContact O-N 3.1Å; A773-D776 PolarHBondContact O-N 3.27Å; A773-V777 PolarHBondContact O-N 3.02Å
774	P	83	Confident	87	Confident	19 Å²	19	39.7 Å²	39.7	12%	0.123	23%	0.233	C	C	.	.	H	α-helix	trans	-53.6	-38.4	-177.8	-22.8	25.8	0	0	0	113.1	Y761 E765 D776 V777 V778	Y761-P774 HydrophobicContact CE1-CB 4.08Å; Y761-P774 HydrophobicContact CE1-CG 4.42Å; Y761-P774 HydrophobicContact CE2-CB 4.32Å; E765-P774 HydrophobicContact CB-CG 4.28Å; E765-P774 HydrophobicContact CG-CB 4.01Å; E765-P774 HydrophobicContact CG-CG 3.2Å; P774-D776 PolarHBondContact O-N 3.38Å; P774-V777 PolarHBondContact O-N 3.34Å; P774-V778 WeakPolarHBondContact O-CG1 3.43Å; P774-V778 PolarHBondContact O-N 3.48Å
775	K	84.2	Confident	86.8	Confident	101 Å²	101	39.8 Å²	39.8	44%	0.439	23%	0.234	S	C	.	.	H	α-helix	trans	-59.6	-25.9	178.5	62.4	163.3	-178	-176	0	114.9	M546 V550 A773	M546-K775 HydrophobicContact CE-CB 3.87Å; M546-K775 HydrophobicContact CE-CD 4.01Å; M546-K775 HydrophobicContact CE-CG 4.18Å; V550-K775 HydrophobicContact CG1-CB 3.97Å; A773-K775 HydrophobicContact CB-CG 4.1Å; A773-K775 PolarHBondContact O-N 3.31Å; A773-K775 VanDerWaalsContact O-N 3.1Å
776	D	86.3	Confident	86.7	Confident	100 Å²	100	36.9 Å²	36.9	54%	0.535	22%	0.22	S	C	.	.	H	α-helix	trans	-90.7	-16.8	-178.9	-61.8	-39.6	0	0	0	111.2	A773 P774	A773-D776 PolarHBondContact O-N 3.27Å; P774-D776 PolarHBondContact O-N 3.38Å
777	V	90.3	Very high	86.5	Confident	10 Å²	10	39.8 Å²	39.8	6%	0.061	24%	0.239	C	C	.	.	H	α-helix	trans	-100.3	-48	-178.3	-178.2	0	0	0	0	112	V732 K744 I745 I768 A772 A773 P774	V732-V777 HydrophobicContact CG1-CG1 4.27Å; K744-V777 CarbonylContact C-O 3.57Å; K744-V777 WeakPolarHBondContact CA-O 3.41Å; I745-V777 HydrophobicContact CD1-CG1 4.12Å; I745-V777 HydrophobicContact CG1-CG1 4.49Å; I745-V777 PolarHBondContact N-O 2.87Å; I768-V777 HydrophobicContact CD1-CG1 4.11Å; I768-V777 HydrophobicContact CG1-CG1 4.18Å; I768-V777 HydrophobicContact CG2-CG2 4.38Å; A772-V777 HydrophobicContact CB-CG2 3.55Å; A773-V777 PolarHBondContact O-N 3.02Å; P774-V777 PolarHBondContact O-N 3.34Å
778	V	95.1	Very high	86.2	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	143.4	-171.3	79	0	0	0	0	112.8	V550 F729 I745 I747 Y761 C764 P774 L780	V550-V778 WeakPolarHBondContact CB-O 3.1Å; V550-V778 HydrophobicContact CG1-CG1 4.38Å; V550-V778 WeakPolarHBondContact CG1-O 3.19Å; F729-V778 HydrophobicContact CE1-CB 4.33Å; F729-V778 HydrophobicContact CE1-CG2 4.02Å; F729-V778 HydrophobicContact CZ-CG2 3.99Å; I745-V778 CarbonylContact O-C 3.56Å; I745-V778 VanDerWaalsContact O-CA 3.32Å; I745-V778 WeakPolarHBondContact O-CA 3.39Å; I747-V778 HydrophobicContact CD1-CG2 4.38Å; Y761-V778 HydrophobicContact CD2-CG1 4.16Å; Y761-V778 HydrophobicContact CE2-CG1 4.38Å; C764-V778 HydrophobicContact CB-CB 4.25Å; C764-V778 HydrophobicContact CB-CG1 4.3Å; P774-V778 WeakPolarHBondContact O-CG1 3.43Å; P774-V778 PolarHBondContact O-N 3.48Å; V778-L780 HydrophobicContact CG2-CD2 4.17Å
779	R	96	Very high	86.4	Confident	25 Å²	25	41.4 Å²	41.4	9%	0.094	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.4	160.9	-64.4	-179.9	175.8	162.4	1.5	110.5	V550 E552 A595 E645 I745 I746 I747	V550-R779 VanDerWaalsContact O-CA 3.23Å; V550-R779 WeakPolarHBondContact O-CA 3.49Å; E552-R779 IonicContact OE2-NH1 2.8Å; A595-R779 HydrophobicContact CB-CG 4.34Å; E645-R779 IonicContact OE1-NH1 3.79Å; E645-R779 IonicContact OE2-CZ 3.44Å; E645-R779 IonicContact OE2-NH1 3.31Å; E645-R779 PolarHBondContact OE2-NH1 3.17Å; E645-R779 IonicContact OE2-NH2 3.33Å; I745-R779 PolarHBondContact O-N 3.35Å; I746-R779 WeakPolarHBondContact CA-O 3.46Å; I746-R779 HydrophobicContact CG1-CB 4.1Å; I747-R779 PolarHBondContact N-O 2.92Å
780	L	96.2	Very high	86.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.2	175.7	-56.8	-177.5	0	0	0	108.6	I547 V550 T551 E552 I747 W752 A757 V778 L785	I547-L780 HydrophobicContact CG2-CD1 4.25Å; V550-L780 HydrophobicContact CG2-CD1 4.35Å; V550-L780 HydrophobicContact CG2-CG 4.18Å; V550-L780 PolarHBondContact O-N 3.46Å; T551-L780 WeakPolarHBondContact CA-O 3.38Å; E552-L780 PolarHBondContact N-O 2.85Å; I747-L780 HydrophobicContact CB-CD2 4.02Å; I747-L780 HydrophobicContact CD1-CD2 4.26Å; I747-L780 HydrophobicContact CG1-CD2 4.45Å; W752-L780 HydrophobicContact CH2-CD2 4.01Å; W752-L780 HydrophobicContact CZ2-CB 4.27Å; W752-L780 HydrophobicContact CZ2-CD2 4.11Å; A757-L780 HydrophobicContact CB-CD1 4.27Å; V778-L780 HydrophobicContact CG2-CD2 4.17Å; L780-L785 HydrophobicContact CB-CD2 3.48Å; L780-L785 VanDerWaalsContact CB-CD2 3.48Å; L780-L785 WeakPolarHBondContact O-CD2 3.5Å
781	T	95.2	Very high	87.6	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.9	-175.5	-173	0	0	0	0	110.9	E552 I746 I747 Y748 N749 W752	E552-T781 PolarHBondContact O-OG1 3.11Å; E552-T781 PolarHBondContact OE1-OG1 3Å; I746-T781 HydrophobicContact CG2-CG2 3.27Å; I747-T781 WeakPolarHBondContact O-CG2 3.32Å; I747-T781 PolarHBondContact O-N 3.36Å; Y748-T781 WeakPolarHBondContact CA-O 3.43Å; Y748-T781 HydrophobicContact CD2-CG2 3.97Å; Y748-T781 HydrophobicContact CG-CG2 4.33Å; N749-T781 PolarHBondContact N-O 3.14Å; N749-T781 VanDerWaalsContact N-O 3.14Å; W752-T781 PolarHBondContact NE1-O 2.86Å
782	G	90.8	Very high	88.4	Confident	4 Å²	4	33.3 Å²	33.3	4%	0.041	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.7	163.4	-179.6	0	0	0	0	0	113.5
783	P	85.9	Confident	89	Confident	39 Å²	39	32.5 Å²	32.5	25%	0.253	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	150.2	175.6	31.4	-35.1	0	0	0	110.6	A750 L785	A750-P783 WeakPolarHBondContact O-CG 3.19Å; P783-L785 PolarHBondContact O-N 3.46Å
784	N	84.3	Confident	89.1	Confident	111 Å²	111	36.3 Å²	36.3	59%	0.594	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	-8.8	172.8	-49.5	-46.8	0	0	0	117.6	L786 C787 S788	N784-L786 PolarHBondContact O-N 3.37Å; N784-C787 WeakPolarHBondContact O-CB 3.31Å; N784-C787 PolarHBondContact O-N 3.36Å; N784-C787 VanDerWaalsContact O-N 3.12Å; N784-S788 PolarHBondContact O-N 3.47Å; N784-S788 PolarHBondContact O-OG 3.49Å
785	L	91.3	Very high	88.9	Confident	2 Å²	2	41 Å²	41	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-50.2	-56.5	179.9	174.1	59.1	0	0	0	112.2	T551 W752 A757 L780 P783 C787 S788 V789	T551-L785 HydrophobicContact CG2-CD2 4.06Å; T551-L785 HydrophobicContact CG2-CG 4.48Å; W752-L785 HydrophobicContact CB-CB 4.11Å; W752-L785 HydrophobicContact CB-CD1 3.98Å; W752-L785 HydrophobicContact CD2-CD1 4.07Å; W752-L785 HydrophobicContact CG-CB 3.96Å; W752-L785 HydrophobicContact CG-CD1 3.81Å; W752-L785 HydrophobicContact CG-CG 4.29Å; A757-L785 HydrophobicContact CB-CD1 3.7Å; L780-L785 HydrophobicContact CB-CD2 3.48Å; L780-L785 VanDerWaalsContact CB-CD2 3.48Å; L780-L785 WeakPolarHBondContact O-CD2 3.5Å; P783-L785 PolarHBondContact O-N 3.46Å; L785-C787 VanDerWaalsContact C-N 3.31Å; L785-C787 PolarHBondContact O-N 3.05Å; L785-S788 PolarHBondContact O-N 3.03Å; L785-V789 HydrophobicContact CD1-CG2 4.14Å; L785-V789 WeakPolarHBondContact O-CG2 3.31Å; L785-V789 PolarHBondContact O-N 2.99Å
786	L	91.9	Very high	87.7	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-42.9	-179.5	-178.1	63.8	0	0	0	111.4	V548 T551 L553 L574 P578 N784 S788 V789 L790	V548-L786 HydrophobicContact CG1-CD1 4.06Å; V548-L786 HydrophobicContact CG2-CD1 4.06Å; T551-L786 HydrophobicContact CG2-CB 4.45Å; L553-L786 HydrophobicContact CD1-CD2 3.89Å; L553-L786 HydrophobicContact CD2-CB 3.64Å; L553-L786 HydrophobicContact CD2-CD2 3.73Å; L553-L786 HydrophobicContact CD2-CG 4.3Å; L553-L786 HydrophobicContact CG-CD2 4.28Å; L574-L786 HydrophobicContact CD1-CD2 4.22Å; L574-L786 HydrophobicContact CD2-CD2 4.18Å; L574-L786 HydrophobicContact CG-CD2 3.96Å; P578-L786 HydrophobicContact CB-CD1 4.07Å; P578-L786 HydrophobicContact CB-CD2 3.94Å; N784-L786 PolarHBondContact O-N 3.37Å; L786-S788 VanDerWaalsContact C-N 3.31Å; L786-S788 PolarHBondContact O-N 3.1Å; L786-V789 PolarHBondContact O-N 3.01Å; L786-L790 HydrophobicContact CD1-CD1 4.14Å; L786-L790 HydrophobicContact CD1-CD2 4.2Å; L786-L790 HydrophobicContact CD1-CG 3.91Å; L786-L790 HydrophobicContact CD2-CD1 4.23Å; L786-L790 HydrophobicContact CG-CD1 3.78Å; L786-L790 HydrophobicContact CG-CG 4Å; L786-L790 WeakPolarHBondContact O-CB 3.47Å; L786-L790 VanDerWaalsContact O-CG 3.24Å; L786-L790 WeakPolarHBondContact O-CG 3.39Å; L786-L790 PolarHBondContact O-N 2.93Å
787	C	88.7	Confident	86.3	Confident	73 Å²	73	43.5 Å²	43.5	49%	0.493	24%	0.24	S	C	.	.	H	α-helix	trans	-61.1	-38.7	179	-63.5	0	0	0	0	112.6	N784 L785 S791	N784-C787 WeakPolarHBondContact O-CB 3.31Å; N784-C787 PolarHBondContact O-N 3.36Å; N784-C787 VanDerWaalsContact O-N 3.12Å; L785-C787 VanDerWaalsContact C-N 3.31Å; L785-C787 PolarHBondContact O-N 3.05Å; C787-S791 WeakPolarHBondContact O-CB 3.46Å; C787-S791 PolarHBondContact O-N 3.43Å; C787-S791 VanDerWaalsContact O-N 3.07Å; C787-S791 PolarHBondContact O-OG 3.04Å
788	S	88.1	Confident	83.8	Confident	39 Å²	39	54.3 Å²	54.3	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-67.6	-38.6	175.7	-64.1	0	0	0	0	112.3	N784 L785 L786 A792	N784-S788 PolarHBondContact O-N 3.47Å; N784-S788 PolarHBondContact O-OG 3.49Å; L785-S788 PolarHBondContact O-N 3.03Å; L786-S788 VanDerWaalsContact C-N 3.31Å; L786-S788 PolarHBondContact O-N 3.1Å; S788-A792 PolarHBondContact O-N 3.1Å
789	V	91.1	Very high	83.3	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-70.7	-43.9	178.4	175.4	0	0	0	0	111.3	L544 I547 V548 L754 L785 L786 A792 L793	L544-V789 HydrophobicContact CB-CG1 4.15Å; L544-V789 HydrophobicContact CD2-CG1 4.36Å; I547-V789 HydrophobicContact CG2-CG1 4.45Å; I547-V789 HydrophobicContact CG2-CG2 3.66Å; V548-V789 HydrophobicContact CG2-CG1 3.67Å; L754-V789 HydrophobicContact CD1-CG2 4.26Å; L785-V789 HydrophobicContact CD1-CG2 4.14Å; L785-V789 WeakPolarHBondContact O-CG2 3.31Å; L785-V789 PolarHBondContact O-N 2.99Å; L786-V789 PolarHBondContact O-N 3.01Å; V789-A792 PolarHBondContact O-N 3Å; V789-L793 HydrophobicContact CG1-CD1 4.26Å; V789-L793 PolarHBondContact O-N 2.8Å
790	L	89.3	Confident	82.6	Confident	26 Å²	26	58.6 Å²	58.6	14%	0.136	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-46.7	177.9	-67.9	179.3	0	0	0	111.8	P578 L579 I582 L786 A792 L793 E794	P578-L790 WeakPolarHBondContact O-CD1 3.41Å; P578-L790 WeakPolarHBondContact O-CD2 3.48Å; L579-L790 HydrophobicContact CD2-CD2 3.28Å; L579-L790 HydrophobicContact CG-CD2 4.38Å; I582-L790 HydrophobicContact CD1-CD2 4.3Å; L786-L790 HydrophobicContact CD1-CD1 4.14Å; L786-L790 HydrophobicContact CD1-CD2 4.2Å; L786-L790 HydrophobicContact CD1-CG 3.91Å; L786-L790 HydrophobicContact CD2-CD1 4.23Å; L786-L790 HydrophobicContact CG-CD1 3.78Å; L786-L790 HydrophobicContact CG-CG 4Å; L786-L790 WeakPolarHBondContact O-CB 3.47Å; L786-L790 VanDerWaalsContact O-CG 3.24Å; L786-L790 WeakPolarHBondContact O-CG 3.39Å; L786-L790 PolarHBondContact O-N 2.93Å; L790-A792 PolarHBondContact O-N 3Å; L790-L793 PolarHBondContact O-N 3.45Å; L790-E794 PolarHBondContact O-N 3.49Å
791	S	87.2	Confident	81.8	Confident	66 Å²	66	61.9 Å²	61.9	46%	0.462	34%	0.34	S	S	.	.	H	α-helix	trans	-54.4	-40.6	174.5	-56.2	0	0	0	0	111.6	C787 E794 E795	C787-S791 WeakPolarHBondContact O-CB 3.46Å; C787-S791 PolarHBondContact O-N 3.43Å; C787-S791 VanDerWaalsContact O-N 3.07Å; C787-S791 PolarHBondContact O-OG 3.04Å; S791-E794 PolarHBondContact O-N 3.27Å; S791-E795 PolarHBondContact O-N 3.3Å
792	A	86.6	Confident	81.1	Confident	15 Å²	15	65.5 Å²	65.5	12%	0.124	36%	0.36	C	S	.	.	H	α-helix	trans	-73.5	-25.5	179.2	0	0	0	0	0	114	L544 L754 S788 V789 L790	L544-A792 HydrophobicContact CD1-CB 3.83Å; L754-A792 HydrophobicContact CD1-CB 3.77Å; L754-A792 HydrophobicContact CD2-CB 3.53Å; L754-A792 HydrophobicContact CG-CB 4.28Å; S788-A792 PolarHBondContact O-N 3.1Å; V789-A792 PolarHBondContact O-N 3Å; L790-A792 PolarHBondContact O-N 3Å
793	L	86.3	Confident	80.4	Confident	3 Å²	3	69.3 Å²	69.3	2%	0.016	38%	0.38	C	S	.	.	H	α-helix	trans	-76.7	-27.8	173.4	-77.1	169.4	0	0	0	112.4	R541 L544 Y545 V548 L579 I582 V789 L790	R541-L793 HydrophobicContact CG-CD2 4.21Å; R541-L793 PolarHBondContact NH1-O 2.87Å; L544-L793 HydrophobicContact CB-CD1 4.37Å; L544-L793 HydrophobicContact CB-CD2 3.64Å; L544-L793 HydrophobicContact CB-CG 3.92Å; L544-L793 HydrophobicContact CD1-CD2 4.01Å; L544-L793 HydrophobicContact CD1-CG 4.05Å; L544-L793 HydrophobicContact CG-CD2 4.46Å; Y545-L793 HydrophobicContact CD1-CD1 4.29Å; Y545-L793 HydrophobicContact CD2-CD2 4.31Å; Y545-L793 HydrophobicContact CE1-CD1 4.17Å; Y545-L793 HydrophobicContact CE1-CD2 4.28Å; Y545-L793 HydrophobicContact CE2-CD2 4.03Å; V548-L793 HydrophobicContact CG2-CD1 4.36Å; L579-L793 HydrophobicContact CD2-CD1 3.99Å; I582-L793 HydrophobicContact CD1-CB 3.66Å; I582-L793 HydrophobicContact CD1-CD1 4.21Å; V789-L793 HydrophobicContact CG1-CD1 4.26Å; V789-L793 PolarHBondContact O-N 2.8Å; L790-L793 PolarHBondContact O-N 3.45Å
794	E	82.9	Confident	80.1	Confident	124 Å²	124	71.3 Å²	71.3	58%	0.579	39%	0.388	S	S	*	.	H	α-helix	trans	-76.7	-24.1	175.6	-71.9	177.7	-174.3	0	0	113.3	I582 L790 S791 E796	I582-E794 HydrophobicContact CD1-CG 4.38Å; I582-E794 HydrophobicContact CG1-CG 4.33Å; L790-E794 PolarHBondContact O-N 3.49Å; S791-E794 PolarHBondContact O-N 3.27Å; E794-E796 PolarHBondContact O-N 3.42Å
795	E	78.6	Confident	79.8	Confident	118 Å²	118	68.5 Å²	68.5	55%	0.551	37%	0.374	S	S	*	.	S	Bend	trans	-60.8	125.4	173.7	-73.6	175.8	-177.1	0	0	110.4	S791	S791-E795 PolarHBondContact O-N 3.3Å
796	E	58.8	Low	78.9	Confident	170 Å²	170	73.6 Å²	73.6	79%	0.794	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-64.2	150.6	172	-81.2	-169.2	169.5	0	0	110.6	E794 L798	E794-E796 PolarHBondContact O-N 3.42Å; E796-L798 PolarHBondContact O-N 3.36Å
797	P	57.9	Low	77.8	Confident	82 Å²	82	79.4 Å²	79.4	53%	0.532	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-56.3	116.6	175.5	-3.5	9.3	0	0	0	110	Y537	Y537-P797 HydrophobicContact CD1-CB 4.02Å; Y537-P797 HydrophobicContact CD1-CG 4.5Å; Y537-P797 HydrophobicContact CD2-CB 4.16Å; Y537-P797 HydrophobicContact CE1-CB 3.58Å; Y537-P797 HydrophobicContact CE1-CG 3.66Å; Y537-P797 HydrophobicContact CE2-CB 3.74Å; Y537-P797 HydrophobicContact CE2-CG 4.34Å; Y537-P797 HydrophobicContact CG-CB 4.29Å; Y537-P797 VanDerWaalsContact CZ-CB 3.42Å; Y537-P797 WeakPolarHBondContact OH-CD 3.42Å; Y537-P797 WeakPolarHBondContact OH-CG 3.31Å
798	L	38.2	Very low	76.8	Confident	237 Å²	237	80 Å²	80	100%	1.241	43%	0.428	S	S	*	.			trans	-87.9	0	168.2	-87.4	166.6	0	0	0	111.1	E796	E796-L798 PolarHBondContact O-N 3.36Å

Retrieved 798 of 798 residues in 152.7 ms (Link to these results)

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