X5D2U3_HUMAN Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession X5D2U3, Species HUMAN (Homo sapiens, Human), Gene STK39, Length 526 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	36.1	Very low	35.3	Very low	246 Å²	246	132.5 Å²	132.5	100%	1.212	81%	0.805	S	S	*	*				0	129.9	0	-68.1	163.8	172	0	0	107.2
2	A	35	Very low	34.6	Very low	89 Å²	89	137.6 Å²	137.6	74%	0.736	81%	0.813	S	S	*	*			cis	163.3	111.3	-28.7	0	0	0	0	0	105.8
3	E	39.2	Very low	34.2	Very low	174 Å²	174	138.1 Å²	138.1	81%	0.813	81%	0.808	S	S	*	*			trans	61	166	152.9	-71.7	-86.1	160.7	0	0	117	S5	E3-S5 PolarHBondContact OE2-N 3.29Å
4	P	48.8	Very low	34.1	Very low	103 Å²	103	137.1 Å²	137.1	67%	0.669	81%	0.808	S	S	*	*			cis	-137.6	165	17.6	42.6	-24.8	0	0	0	119.6
5	S	33.9	Very low	34	Very low	106 Å²	106	140.8 Å²	140.8	74%	0.741	81%	0.814	S	S	*	*			trans	69.6	153	138.4	68.2	0	0	0	0	121.4	E3	E3-S5 PolarHBondContact OE2-N 3.29Å
6	G	30.9	Very low	33.9	Very low	63 Å²	63	144.5 Å²	144.5	65%	0.649	82%	0.822	S	S	*	*			trans	-149.2	-143.2	165.8	0	0	0	0	0	110.2
7	S	29.7	Very low	33.9	Very low	129 Å²	129	141.9 Å²	141.9	90%	0.902	82%	0.822	S	S	*	*			trans	85.5	154.4	178.1	-52.1	0	0	0	0	116.1
8	P	45.9	Very low	34.1	Very low	121 Å²	121	138.8 Å²	138.8	79%	0.786	82%	0.816	S	S	*	*			trans	-121.2	170.1	-146.8	42.1	-30.9	0	0	0	116.2
9	V	30.8	Very low	34	Very low	153 Å²	153	138.4 Å²	138.4	93%	0.927	82%	0.818	S	S	*	*			trans	-135.4	159.6	166.2	-171.7	0	0	0	0	109.6
10	H	29.1	Very low	34.1	Very low	171 Å²	171	138.5 Å²	138.5	79%	0.792	82%	0.819	S	S	*	*			trans	-137.2	154.5	-159.6	-167.8	38.8	0	0	0	112.2
11	V	28.8	Very low	34.1	Very low	103 Å²	103	138.1 Å²	138.1	62%	0.624	82%	0.819	S	S	*	*			trans	69.4	117.2	166.7	-167.9	0	0	0	0	119.3	L13	V11-L13 HydrophobicContact CG1-CD1 4.22Å
12	Q	27.4	Very low	34	Very low	193 Å²	193	131.4 Å²	131.4	90%	0.902	80%	0.802	S	S	*	*				-150.7	153.9	125.7	-153.7	131.8	19.2	0	0	110.6
13	L	29	Very low	33.9	Very low	144 Å²	144	131.8 Å²	131.8	75%	0.754	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-90	147.9	-166.8	-67.7	79.5	0	0	0	113.7	V11	V11-L13 HydrophobicContact CG1-CD1 4.22Å
14	P	32.9	Very low	33.8	Very low	124 Å²	124	128.2 Å²	128.2	81%	0.805	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71.4	156	154.5	-9	26.4	0	0	0	111.6
15	Q	32.9	Very low	33.2	Very low	193 Å²	193	128.1 Å²	128.1	90%	0.902	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-81.7	163.1	-176.8	-69.3	168.3	-35.7	0	0	113.4
16	Q	31.1	Very low	33.5	Very low	200 Å²	200	127.7 Å²	127.7	94%	0.935	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-67.3	141.4	179	-67.2	171	-34.9	0	0	112.4
17	A	34.9	Very low	33.8	Very low	100 Å²	100	128.9 Å²	128.9	83%	0.826	82%	0.82	S	S	*	*			trans	-115.3	150.1	160.7	0	0	0	0	0	109.7
18	A	36.3	Very low	34.3	Very low	87 Å²	87	128.6 Å²	128.6	72%	0.719	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-69.1	155.1	-175.3	0	0	0	0	0	112.8	V20	A18-V20 PolarHBondContact O-N 3.36Å
19	P	33.3	Very low	34	Very low	131 Å²	131	127 Å²	127	85%	0.851	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-71.2	123.9	-173.7	28.3	-35	0	0	0	112.3
20	V	35.5	Very low	34.4	Very low	139 Å²	139	125.7 Å²	125.7	84%	0.842	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-80.2	131.8	164.2	-171.2	0	0	0	0	108.3	A18	A18-V20 PolarHBondContact O-N 3.36Å
21	T	34.8	Very low	35.1	Very low	131 Å²	131	122.2 Å²	122.2	80%	0.804	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-66.1	133.6	-177.6	38.7	0	0	0	0	111.7	A23	T21-A23 PolarHBondContact O-N 3.18Å
22	A	32.8	Very low	35.9	Very low	105 Å²	105	121.8 Å²	121.8	87%	0.868	82%	0.815	S	S	*	*			trans	-70.5	98.7	174.6	0	0	0	0	0	110	A24	A22-A24 PolarHBondContact O-N 2.73Å
23	A	34.4	Very low	36.8	Very low	97 Å²	97	121 Å²	121	80%	0.802	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-62.8	119.6	167	0	0	0	0	0	108.7	T21 A25	T21-A23 PolarHBondContact O-N 3.18Å; A23-A25 PolarHBondContact O-N 3.26Å
24	A	36	Very low	38.2	Very low	100 Å²	100	119.1 Å²	119.1	83%	0.826	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-63.2	119.2	178.8	0	0	0	0	0	109.7	A22 A26	A22-A24 PolarHBondContact O-N 2.73Å; A24-A26 PolarHBondContact O-N 3.01Å; A24-A26 VanDerWaalsContact O-N 3.13Å
25	A	37.6	Very low	40.3	Very low	100 Å²	100	116.6 Å²	116.6	83%	0.826	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-62.3	116.5	173.2	0	0	0	0	0	108.9	A23 A27	A23-A25 PolarHBondContact O-N 3.26Å; A25-A27 PolarHBondContact O-N 2.99Å
26	A	38.8	Very low	42.9	Very low	97 Å²	97	110.1 Å²	110.1	80%	0.802	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-59.6	127.7	176.2	0	0	0	0	0	109.4	A24	A24-A26 PolarHBondContact O-N 3.01Å; A24-A26 VanDerWaalsContact O-N 3.13Å
27	A	38.2	Very low	46	Very low	88 Å²	88	102.8 Å²	102.8	73%	0.727	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-59.4	143.4	175.4	0	0	0	0	0	109.9	A25 A29	A25-A27 PolarHBondContact O-N 2.99Å; A27-A29 PolarHBondContact O-N 3.14Å
28	P	40	Very low	48.9	Very low	124 Å²	124	99 Å²	99	81%	0.805	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-57.9	135.1	174.5	25.7	-33.9	0	0	0	109.4
29	A	39.6	Very low	51.7	Low	88 Å²	88	100.6 Å²	100.6	73%	0.727	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-55.4	139.6	178.7	0	0	0	0	0	110.1	A27 A31	A27-A29 PolarHBondContact O-N 3.14Å; A29-A31 PolarHBondContact O-N 3.11Å
30	P	38.1	Very low	54.6	Low	124 Å²	124	97.8 Å²	97.8	81%	0.805	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-59.1	130.1	-179.6	25.1	-33.9	0	0	0	109.5	A32	P30-A32 PolarHBondContact O-N 2.75Å; P30-A32 VanDerWaalsContact O-N 3.1Å
31	A	43.8	Very low	57.4	Low	99 Å²	99	97 Å²	97	82%	0.818	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-55.2	120.4	176.7	0	0	0	0	0	109	A29 Q33	A29-A31 PolarHBondContact O-N 3.11Å; A31-Q33 PolarHBondContact O-N 3.47Å
32	A	46.8	Very low	60.3	Low	94 Å²	94	95.7 Å²	95.7	78%	0.777	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-57.2	126.5	-175.8	0	0	0	0	0	109.8	P30 A34	P30-A32 PolarHBondContact O-N 2.75Å; P30-A32 VanDerWaalsContact O-N 3.1Å; A32-A34 PolarHBondContact O-N 2.98Å
33	Q	45.7	Very low	63.4	Low	176 Å²	176	91.1 Å²	91.1	82%	0.822	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-54.5	140.3	166.4	-69.3	-179.3	-12.6	0	0	108.1	A31 V35	A31-Q33 PolarHBondContact O-N 3.47Å; Q33-V35 VanDerWaalsContact C-N 3.28Å; Q33-V35 WeakPolarHBondContact O-CG2 3.48Å; Q33-V35 PolarHBondContact O-N 2.91Å
34	A	58.4	Low	66.4	Low	105 Å²	105	86.8 Å²	86.8	87%	0.868	59%	0.588	S	S	*	*			trans	-69.7	82.8	-173.7	0	0	0	0	0	111.4	A32 G36	A32-A34 PolarHBondContact O-N 2.98Å; A34-G36 PolarHBondContact O-N 3.37Å; A34-G36 VanDerWaalsContact O-N 3.17Å
35	V	77	Confident	69.3	Low	71 Å²	71	86.6 Å²	86.6	43%	0.43	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-59.2	118.2	178.1	-175	0	0	0	0	108.6	Q33 P65 R66	Q33-V35 VanDerWaalsContact C-N 3.28Å; Q33-V35 WeakPolarHBondContact O-CG2 3.48Å; Q33-V35 PolarHBondContact O-N 2.91Å; V35-P65 HydrophobicContact CG1-CB 4.23Å; V35-R66 HydrophobicContact CB-CG 4.31Å; V35-R66 PolarHBondContact O-NH1 2.93Å
36	G	88.6	Confident	72	Confident	56 Å²	56	84.5 Å²	84.5	58%	0.577	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-58.6	156.2	175.8	0	0	0	0	0	111.7	A34 P38	A34-G36 PolarHBondContact O-N 3.37Å; A34-G36 VanDerWaalsContact O-N 3.17Å; G36-P38 VanDerWaalsContact O-CD 3.27Å; G36-P38 WeakPolarHBondContact O-CD 3.37Å
37	W	94.6	Very high	74.6	Confident	47 Å²	47	82.7 Å²	82.7	18%	0.178	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-64.9	118.7	179	-73.5	113.7	0	0	0	111	C63 R66 E68 V70 Y106 T107	W37-C63 HydrophobicContact CZ3-CB 4Å; W37-R66 VanDerWaalsContact CE2-CZ 3.45Å; W37-R66 VanDerWaalsContact CH2-NE 3.31Å; W37-R66 VanDerWaalsContact CZ2-NE 3.34Å; W37-E68 HydrophobicContact CH2-CB 4.36Å; W37-E68 VanDerWaalsContact CH2-CD 3.4Å; W37-E68 HydrophobicContact CH2-CG 4.29Å; W37-E68 WeakPolarHBondContact CH2-OE2 3.28Å; W37-E68 WeakPolarHBondContact CZ2-OE2 3.06Å; W37-V70 HydrophobicContact CH2-CG1 3.81Å; W37-V70 HydrophobicContact CZ3-CG1 3.73Å; W37-Y106 HydrophobicContact CD2-CD2 4.19Å; W37-Y106 HydrophobicContact CD2-CG 4.03Å; W37-Y106 AromaticContact CE2-CD1 3.77Å; W37-Y106 AromaticContact CE2-CD2 3.63Å; W37-Y106 AromaticContact CE2-CG 3.41Å; W37-Y106 VanDerWaalsContact CE2-CG 3.41Å; W37-Y106 HydrophobicContact CE3-CD2 4.3Å; W37-Y106 AromaticContact CH2-CD2 3.3Å; W37-Y106 HydrophobicContact CH2-CD2 3.3Å; W37-Y106 AromaticContact CH2-CE2 3.27Å; W37-Y106 HydrophobicContact CH2-CE2 3.27Å; W37-Y106 HydrophobicContact CH2-CG 4.01Å; W37-Y106 AromaticContact CH2-CZ 3.98Å; W37-Y106 AromaticContact CZ2-CD1 3.75Å; W37-Y106 HydrophobicContact CZ2-CD1 3.75Å; W37-Y106 AromaticContact CZ2-CD2 3.18Å; W37-Y106 HydrophobicContact CZ2-CD2 3.18Å; W37-Y106 AromaticContact CZ2-CE1 3.78Å; W37-Y106 HydrophobicContact CZ2-CE1 3.78Å; W37-Y106 AromaticContact CZ2-CE2 3.19Å; W37-Y106 HydrophobicContact CZ2-CE2 3.19Å; W37-Y106 AromaticContact CZ2-CG 3.43Å; W37-Y106 HydrophobicContact CZ2-CG 3.43Å; W37-Y106 VanDerWaalsContact CZ2-CG 3.43Å; W37-Y106 AromaticContact CZ2-CZ 3.47Å; W37-Y106 VanDerWaalsContact CZ2-CZ 3.47Å; W37-Y106 AromaticContact CZ3-CD2 3.88Å; W37-Y106 HydrophobicContact CZ3-CD2 3.88Å; W37-Y106 HydrophobicContact CZ3-CE2 4.24Å; W37-Y106 AromaticContact NE1-CD1 3.62Å; W37-Y106 AromaticContact NE1-CG 3.61Å; W37-T107 HydrophobicContact CB-CG2 3.71Å
38	P	95.7	Very high	76.8	Confident	19 Å²	19	80.9 Å²	80.9	12%	0.123	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-61.3	148.5	-177.4	-24.2	34.5	0	0	0	112.9	G36 A43 Y44 P65 T107	G36-P38 VanDerWaalsContact O-CD 3.27Å; G36-P38 WeakPolarHBondContact O-CD 3.37Å; P38-A43 HydrophobicContact CB-CB 3.49Å; P38-A43 VanDerWaalsContact CB-CB 3.49Å; P38-A43 HydrophobicContact CG-CB 3.86Å; P38-Y44 HydrophobicContact CB-CE2 4.01Å; P38-Y44 WeakPolarHBondContact O-CE2 3.5Å; P38-Y44 PolarHBondContact O-OH 3.23Å; P38-P65 HydrophobicContact CG-CB 4.3Å; P38-P65 HydrophobicContact CG-CG 3.87Å; P38-T107 WeakPolarHBondContact O-CG2 3.38Å
39	I	95.7	Very high	79	Confident	122 Å²	122	77.8 Å²	77.8	63%	0.626	47%	0.474	S	S	*	.			trans	-114	19.4	177.7	59.3	171.1	0	0	0	113.1	T107 F109	I39-T107 WeakPolarHBondContact CG2-OG1 3.44Å; I39-F109 HydrophobicContact CB-CB 4.24Å; I39-F109 HydrophobicContact CB-CD1 4.27Å; I39-F109 HydrophobicContact CB-CG 4.47Å; I39-F109 HydrophobicContact CG2-CD1 4.48Å; I39-F109 WeakPolarHBondContact O-CG 3.39Å
40	C	93.8	Very high	81.1	Confident	71 Å²	71	75.5 Å²	75.5	48%	0.48	45%	0.45	S	S	.	.	S	Bend	trans	-118.3	134.2	178	54.3	0	0	0	0	110.4	D42 A43	C40-D42 VanDerWaalsContact C-N 3.26Å; C40-D42 PolarHBondContact O-N 3.06Å; C40-A43 WeakPolarHBondContact O-CB 3.4Å; C40-A43 PolarHBondContact O-N 3.14Å
41	R	95.8	Very high	82.8	Confident	122 Å²	122	70.7 Å²	70.7	46%	0.46	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-50.6	-45	-179.3	176.1	-88.5	-176	173.1	0.6	112.2	A43 Y44 F109 V111 W116	R41-A43 PolarHBondContact O-N 3.19Å; R41-A43 VanDerWaalsContact O-N 3.13Å; R41-Y44 PolarHBondContact O-N 3.49Å; R41-Y44 VanDerWaalsContact O-O 3.13Å; R41-F109 HydrophobicContact CB-CE2 4.47Å; R41-V111 HydrophobicContact CB-CG1 4.23Å; R41-V111 HydrophobicContact CB-CG2 4.04Å; R41-V111 HydrophobicContact CG-CG1 4.09Å; R41-V111 HydrophobicContact CG-CG2 4.48Å; R41-W116 HydrophobicContact CG-CH2 3.79Å; R41-W116 HydrophobicContact CG-CZ2 4.49Å; R41-W116 HydrophobicContact CG-CZ3 4.05Å
42	D	95.8	Very high	84	Confident	104 Å²	104	69.1 Å²	69.1	56%	0.556	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-72.3	-7.4	-170.8	-54.8	-55.2	0	0	0	114.6	C40 Y44 K64	C40-D42 VanDerWaalsContact C-N 3.26Å; C40-D42 PolarHBondContact O-N 3.06Å; D42-Y44 VanDerWaalsContact C-N 3.29Å; D42-K64 WeakPolarHBondContact O-CE 3.06Å; D42-K64 PolarHBondContact O-NZ 3.06Å
43	A	96.9	Very high	84.9	Confident	10 Å²	10	66.6 Å²	66.6	8%	0.083	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-75.8	-17	166.3	0	0	0	0	0	113.1	P38 C40 R41 K64 P65	P38-A43 HydrophobicContact CB-CB 3.49Å; P38-A43 VanDerWaalsContact CB-CB 3.49Å; P38-A43 HydrophobicContact CG-CB 3.86Å; C40-A43 WeakPolarHBondContact O-CB 3.4Å; C40-A43 PolarHBondContact O-N 3.14Å; R41-A43 PolarHBondContact O-N 3.19Å; R41-A43 VanDerWaalsContact O-N 3.13Å; A43-K64 PolarHBondContact O-N 2.72Å; A43-P65 HydrophobicContact CB-CG 4.02Å; A43-P65 WeakPolarHBondContact O-CD 3.37Å
44	Y	97.4	Very high	85.5	Confident	5 Å²	5	61.8 Å²	61.8	2%	0.02	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	125.1	-178.6	-64.2	-88.8	0	0	0	111	P38 R41 D42 L62 C63 V70 I72 F109 V118	P38-Y44 HydrophobicContact CB-CE2 4.01Å; P38-Y44 WeakPolarHBondContact O-CE2 3.5Å; P38-Y44 PolarHBondContact O-OH 3.23Å; R41-Y44 PolarHBondContact O-N 3.49Å; R41-Y44 VanDerWaalsContact O-O 3.13Å; D42-Y44 VanDerWaalsContact C-N 3.29Å; Y44-L62 WeakPolarHBondContact CA-O 3.21Å; Y44-C63 HydrophobicContact CD1-CB 3.99Å; Y44-C63 HydrophobicContact CE1-CB 3.69Å; Y44-V70 HydrophobicContact CD1-CG2 4.02Å; Y44-V70 HydrophobicContact CE1-CG2 4.01Å; Y44-I72 HydrophobicContact CD1-CD1 3.81Å; Y44-I72 HydrophobicContact CG-CD1 3.93Å; Y44-F109 HydrophobicContact CD2-CE1 4.11Å; Y44-F109 AromaticContact CD2-CZ 3.67Å; Y44-F109 HydrophobicContact CD2-CZ 3.67Å; Y44-F109 AromaticContact CE2-CE1 3.6Å; Y44-F109 HydrophobicContact CE2-CE1 3.6Å; Y44-F109 AromaticContact CE2-CZ 3.66Å; Y44-F109 HydrophobicContact CE2-CZ 3.66Å; Y44-V118 HydrophobicContact CE1-CG1 3.79Å; Y44-V118 HydrophobicContact CE1-CG2 4.19Å; Y44-V118 HydrophobicContact CE2-CG2 4.48Å
45	E	96.9	Very high	85.8	Confident	96 Å²	96	60.1 Å²	60.1	45%	0.449	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	112.3	173.1	-175.9	-179.4	125.7	0	0	108.3	A61 L62 K64	E45-A61 CarbonylContact O-C 3.59Å; E45-A61 WeakPolarHBondContact O-CA 3.35Å; E45-A61 WeakPolarHBondContact O-CB 3.42Å; E45-L62 HydrophobicContact CB-CB 4.34Å; E45-L62 PolarHBondContact N-O 2.93Å; E45-L62 PolarHBondContact O-N 2.96Å; E45-K64 HydrophobicContact CB-CD 4.24Å; E45-K64 HydrophobicContact CB-CG 4.38Å
46	L	94.9	Very high	85.8	Confident	57 Å²	57	57.3 Å²	57.3	30%	0.298	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141.3	-179.4	-67.3	179.1	0	0	0	111	Q59 A61 I72 W116	L46-Q59 HydrophobicContact CD2-CG 4.43Å; L46-A61 HydrophobicContact CD2-CB 4.2Å; L46-I72 HydrophobicContact CD2-CD1 4.15Å; L46-W116 HydrophobicContact CD1-CH2 3.8Å; L46-W116 HydrophobicContact CD1-CZ2 4.17Å; L46-W116 HydrophobicContact CD2-CH2 3.88Å; L46-W116 HydrophobicContact CD2-CZ3 4.11Å; L46-W116 HydrophobicContact CG-CH2 4.01Å
47	Q	92.4	Very high	85.6	Confident	59 Å²	59	56.3 Å²	56.3	28%	0.276	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-145.8	-178.1	-56.7	-174.2	-38.1	0	0	109.6	Q59 A60 R69	Q47-Q59 WeakPolarHBondContact O-CG 3.24Å; Q47-Q59 PolarHBondContact O-NE2 3.13Å; Q47-A60 WeakPolarHBondContact CA-O 3.45Å; Q47-A60 HydrophobicContact CB-CB 4.01Å; Q47-A60 PolarHBondContact N-O 3.42Å; Q47-R69 VanDerWaalsContact OE1-CZ 3.3Å
48	E	85.7	Confident	85.4	Confident	50 Å²	50	55.8 Å²	55.8	23%	0.234	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	142.1	-174.1	70.2	-82	-163	0	0	113.9	I50 Q59 A60 R69 A342	E48-I50 PolarHBondContact O-N 3.29Å; E48-Q59 WeakPolarHBondContact O-CG 3.41Å; E48-A60 HydrophobicContact CG-CB 4.11Å; E48-A60 PolarHBondContact O-N 3.22Å; E48-R69 IonicContact OE1-CZ 2.7Å; E48-R69 IonicContact OE1-NH1 3.53Å; E48-R69 IonicContact OE1-NH2 2.71Å; E48-R69 PolarHBondContact OE1-NH2 3.33Å; E48-R69 IonicContact OE2-NH2 2.76Å; E48-R69 PolarHBondContact OE2-NH2 3.09Å; E48-A342 HydrophobicContact CB-CB 4.27Å; E48-A342 HydrophobicContact CG-CB 4.12Å
49	V	86.4	Confident	85.1	Confident	58 Å²	58	56 Å²	56	35%	0.352	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	121.7	169	176.3	0	0	0	0	108.7	V57 Q59 A342	V49-V57 HydrophobicContact CG1-CG1 3.82Å; V49-V57 HydrophobicContact CG2-CG1 4.35Å; V49-Q59 HydrophobicContact CG2-CG 4.16Å; V49-A342 WeakPolarHBondContact O-CB 3.35Å
50	I	82.9	Confident	85	Confident	41 Å²	41	50.1 Å²	50.1	21%	0.21	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-37	180	-65.8	166.8	0	0	0	110.3	E48 V58 A60 L121 I338	E48-I50 PolarHBondContact O-N 3.29Å; I50-V58 HydrophobicContact CB-CB 4.47Å; I50-V58 HydrophobicContact CB-CG1 4.18Å; I50-V58 HydrophobicContact CD1-CG1 4.28Å; I50-V58 HydrophobicContact CG2-CG1 4.42Å; I50-V58 PolarHBondContact N-O 2.63Å; I50-A60 HydrophobicContact CD1-CB 4.07Å; I50-A60 HydrophobicContact CG1-CB 4.4Å; I50-L121 HydrophobicContact CD1-CD1 3.52Å; I50-I338 HydrophobicContact CD1-CD1 4.19Å; I50-I338 HydrophobicContact CG1-CD1 4.15Å; I50-I338 HydrophobicContact CG1-CG1 4.44Å; I50-I338 HydrophobicContact CG2-CD1 3.73Å; I50-I338 HydrophobicContact CG2-CG1 4.14Å
51	G	73.5	Confident	85.2	Confident	22 Å²	22	46.8 Å²	46.8	23%	0.227	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	150.5	179	0	0	0	0	0	112.4	V58	G51-V58 PolarHBondContact N-O 2.75Å; G51-V58 PolarHBondContact O-N 2.85Å
52	S	69.9	Low	85.2	Confident	66 Å²	66	42.5 Å²	42.5	46%	0.462	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.1	177.3	-175.4	0	0	0	0	110.2
53	G	63.8	Low	85.3	Confident	41 Å²	41	37.5 Å²	37.5	42%	0.423	23%	0.233	S	C	.	.			trans	-135.1	173.6	176.5	0	0	0	0	0	111.4	T55 A56	G53-T55 VanDerWaalsContact C-N 3.26Å; G53-T55 PolarHBondContact O-N 3.35Å; G53-T55 VanDerWaalsContact O-N 3.16Å; G53-A56 PolarHBondContact N-O 3.42Å; G53-A56 PolarHBondContact O-N 3.22Å
54	A	58.6	Low	85.3	Confident	76 Å²	76	41.1 Å²	41.1	63%	0.628	25%	0.247	S	C	*	.	S	Bend	trans	-58.9	-32.7	-171.5	0	0	0	0	0	114.6
55	T	64.3	Low	85.2	Confident	69 Å²	69	44 Å²	44	42%	0.423	27%	0.266	S	S	.	.	S	Bend	trans	-109.1	-16	-176.1	48.7	0	0	0	0	114.3	G53 N76	G53-T55 VanDerWaalsContact C-N 3.26Å; G53-T55 PolarHBondContact O-N 3.35Å; G53-T55 VanDerWaalsContact O-N 3.16Å; T55-N76 PolarHBondContact O-N 2.91Å
56	A	77.5	Confident	85.2	Confident	13 Å²	13	43.6 Å²	43.6	11%	0.107	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	149.3	-169.8	0	0	0	0	0	113.7	G53 K73 R74 I75	G53-A56 PolarHBondContact N-O 3.42Å; G53-A56 PolarHBondContact O-N 3.22Å; A56-K73 HydrophobicContact CB-CG 4.15Å; A56-R74 CarbonylContact C-O 3.57Å; A56-R74 WeakPolarHBondContact CA-O 3.31Å; A56-R74 WeakPolarHBondContact CB-O 3.5Å; A56-I75 HydrophobicContact CB-CB 4.49Å; A56-I75 HydrophobicContact CB-CG1 3.92Å
57	V	85.7	Confident	85.2	Confident	35 Å²	35	47.8 Å²	47.8	21%	0.212	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.3	170.9	-177.4	0	0	0	0	109	V49 K73 R74	V49-V57 HydrophobicContact CG1-CG1 3.82Å; V49-V57 HydrophobicContact CG2-CG1 4.35Å; V57-K73 CarbonylContact O-C 3.58Å; V57-K73 WeakPolarHBondContact O-CA 3.25Å; V57-R74 PolarHBondContact N-O 2.99Å; V57-R74 PolarHBondContact O-N 2.91Å
58	V	89	Confident	85.4	Confident	36 Å²	36	47.5 Å²	47.5	22%	0.218	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.5	172.2	-175.5	0	0	0	0	108.1	I50 G51 A71 K73	I50-V58 HydrophobicContact CB-CB 4.47Å; I50-V58 HydrophobicContact CB-CG1 4.18Å; I50-V58 HydrophobicContact CD1-CG1 4.28Å; I50-V58 HydrophobicContact CG2-CG1 4.42Å; I50-V58 PolarHBondContact N-O 2.63Å; G51-V58 PolarHBondContact N-O 2.75Å; G51-V58 PolarHBondContact O-N 2.85Å; V58-A71 HydrophobicContact CG1-CB 4.42Å; V58-K73 HydrophobicContact CG2-CB 4.31Å; V58-K73 HydrophobicContact CG2-CD 4.15Å; V58-K73 HydrophobicContact CG2-CG 3.92Å
59	Q	91.1	Very high	85.8	Confident	22 Å²	22	49.9 Å²	49.9	10%	0.103	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.2	-174.2	-165.2	167.3	5.6	0	0	109.8	L46 Q47 E48 V49 I72	L46-Q59 HydrophobicContact CD2-CG 4.43Å; Q47-Q59 WeakPolarHBondContact O-CG 3.24Å; Q47-Q59 PolarHBondContact O-NE2 3.13Å; E48-Q59 WeakPolarHBondContact O-CG 3.41Å; V49-Q59 HydrophobicContact CG2-CG 4.16Å; Q59-I72 PolarHBondContact N-O 3.22Å; Q59-I72 PolarHBondContact O-N 2.91Å
60	A	93.4	Very high	86.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	151.2	169.6	0	0	0	0	0	109.9	Q47 E48 I50	Q47-A60 WeakPolarHBondContact CA-O 3.45Å; Q47-A60 HydrophobicContact CB-CB 4.01Å; Q47-A60 PolarHBondContact N-O 3.42Å; E48-A60 HydrophobicContact CG-CB 4.11Å; E48-A60 PolarHBondContact O-N 3.22Å; I50-A60 HydrophobicContact CD1-CB 4.07Å; I50-A60 HydrophobicContact CG1-CB 4.4Å
61	A	96.3	Very high	86.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	155	172.7	0	0	0	0	0	112.1	E45 L46 R69 V70 I72	E45-A61 CarbonylContact O-C 3.59Å; E45-A61 WeakPolarHBondContact O-CA 3.35Å; E45-A61 WeakPolarHBondContact O-CB 3.42Å; L46-A61 HydrophobicContact CD2-CB 4.2Å; A61-R69 CarbonylContact O-C 3.58Å; A61-R69 WeakPolarHBondContact O-CA 3.5Å; A61-V70 HydrophobicContact CB-CG2 3.96Å; A61-V70 PolarHBondContact N-O 3.11Å; A61-V70 PolarHBondContact O-N 2.94Å; A61-I72 HydrophobicContact CB-CD1 3.54Å; A61-I72 HydrophobicContact CB-CG1 3.87Å
62	L	97.3	Very high	87.9	Confident	32 Å²	32	44.5 Å²	44.5	17%	0.168	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120	168.4	177	63	0	0	0	109.9	Y44 E45 K64	Y44-L62 WeakPolarHBondContact CA-O 3.21Å; E45-L62 HydrophobicContact CB-CB 4.34Å; E45-L62 PolarHBondContact N-O 2.93Å; E45-L62 PolarHBondContact O-N 2.96Å; L62-K64 PolarHBondContact O-N 3.44Å
63	C	97.8	Very high	88.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	93.5	171.5	-175.5	0	0	0	0	109.3	W37 Y44 R66 Q67 E68 V70	W37-C63 HydrophobicContact CZ3-CB 4Å; Y44-C63 HydrophobicContact CD1-CB 3.99Å; Y44-C63 HydrophobicContact CE1-CB 3.69Å; C63-R66 HydrophobicContact CB-CB 4.46Å; C63-R66 CarbonylContact O-C 3.49Å; C63-R66 PolarHBondContact O-N 3.36Å; C63-Q67 PolarHBondContact O-N 2.71Å; C63-E68 WeakPolarHBondContact CB-O 3.4Å; C63-E68 PolarHBondContact N-O 3.37Å; C63-V70 HydrophobicContact CB-CG1 4.4Å
64	K	96.5	Very high	90.2	Very high	86 Å²	86	42.8 Å²	42.8	37%	0.374	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-40.8	-169.7	-65.7	178.5	-67	-170	0	114.2	D42 A43 E45 L62 R66 Q67	D42-K64 WeakPolarHBondContact O-CE 3.06Å; D42-K64 PolarHBondContact O-NZ 3.06Å; A43-K64 PolarHBondContact O-N 2.72Å; E45-K64 HydrophobicContact CB-CD 4.24Å; E45-K64 HydrophobicContact CB-CG 4.38Å; L62-K64 PolarHBondContact O-N 3.44Å; K64-R66 PolarHBondContact O-N 2.7Å; K64-Q67 PolarHBondContact O-NE2 2.96Å
65	P	96	Very high	91.5	Very high	66 Å²	66	39.3 Å²	39.3	43%	0.429	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.4	177.1	-23.3	36.6	0	0	0	115.2	V35 P38 A43	V35-P65 HydrophobicContact CG1-CB 4.23Å; P38-P65 HydrophobicContact CG-CB 4.3Å; P38-P65 HydrophobicContact CG-CG 3.87Å; A43-P65 HydrophobicContact CB-CG 4.02Å; A43-P65 WeakPolarHBondContact O-CD 3.37Å
66	R	95.6	Very high	92.4	Very high	87 Å²	87	37.2 Å²	37.2	33%	0.328	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-11	-179.3	-69.8	178.1	58.3	113.6	-3.6	113.9	V35 W37 C63 K64 E68	V35-R66 HydrophobicContact CB-CG 4.31Å; V35-R66 PolarHBondContact O-NH1 2.93Å; W37-R66 VanDerWaalsContact CE2-CZ 3.45Å; W37-R66 VanDerWaalsContact CH2-NE 3.31Å; W37-R66 VanDerWaalsContact CZ2-NE 3.34Å; C63-R66 HydrophobicContact CB-CB 4.46Å; C63-R66 CarbonylContact O-C 3.49Å; C63-R66 PolarHBondContact O-N 3.36Å; K64-R66 PolarHBondContact O-N 2.7Å; R66-E68 HydrophobicContact CB-CB 4.13Å; R66-E68 IonicContact CZ-OE2 3.5Å; R66-E68 IonicContact NE-OE2 3.39Å; R66-E68 PolarHBondContact NE-OE2 3.3Å; R66-E68 IonicContact NH2-OE2 3.55Å; R66-E68 PolarHBondContact NH2-OE2 3.18Å; R66-E68 PolarHBondContact O-N 3.21Å
67	Q	95.8	Very high	92.4	Very high	144 Å²	144	38.4 Å²	38.4	67%	0.673	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	31.5	-172.2	-62.3	-67.1	-64.6	0	0	113	C63 K64	C63-Q67 PolarHBondContact O-N 2.71Å; K64-Q67 PolarHBondContact O-NE2 2.96Å
68	E	95.4	Very high	91.9	Very high	53 Å²	53	44.5 Å²	44.5	25%	0.248	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.1	-174.9	-162.9	-178.1	149.6	0	0	109.6	W37 C63 R66 Y106	W37-E68 HydrophobicContact CH2-CB 4.36Å; W37-E68 VanDerWaalsContact CH2-CD 3.4Å; W37-E68 HydrophobicContact CH2-CG 4.29Å; W37-E68 WeakPolarHBondContact CH2-OE2 3.28Å; W37-E68 WeakPolarHBondContact CZ2-OE2 3.06Å; C63-E68 WeakPolarHBondContact CB-O 3.4Å; C63-E68 PolarHBondContact N-O 3.37Å; R66-E68 HydrophobicContact CB-CB 4.13Å; R66-E68 IonicContact CZ-OE2 3.5Å; R66-E68 IonicContact NE-OE2 3.39Å; R66-E68 PolarHBondContact NE-OE2 3.3Å; R66-E68 IonicContact NH2-OE2 3.55Å; R66-E68 PolarHBondContact NH2-OE2 3.18Å; R66-E68 PolarHBondContact O-N 3.21Å; E68-Y106 WeakPolarHBondContact OE1-CE2 3.45Å; E68-Y106 PolarHBondContact OE1-OH 3.02Å
69	R	95.1	Very high	90.8	Very high	101 Å²	101	49.6 Å²	49.6	38%	0.381	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	132.3	171.5	-65.4	-169.7	79.4	-147.5	3.9	109.9	Q47 E48 A61 L121	Q47-R69 VanDerWaalsContact OE1-CZ 3.3Å; E48-R69 IonicContact OE1-CZ 2.7Å; E48-R69 IonicContact OE1-NH1 3.53Å; E48-R69 IonicContact OE1-NH2 2.71Å; E48-R69 PolarHBondContact OE1-NH2 3.33Å; E48-R69 IonicContact OE2-NH2 2.76Å; E48-R69 PolarHBondContact OE2-NH2 3.09Å; A61-R69 CarbonylContact O-C 3.58Å; A61-R69 WeakPolarHBondContact O-CA 3.5Å; R69-L121 HydrophobicContact CB-CD2 3.89Å
70	V	96.1	Very high	89.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	160.9	-177.1	-60	0	0	0	0	110.4	W37 Y44 A61 C63 I72 Y106 V118	W37-V70 HydrophobicContact CH2-CG1 3.81Å; W37-V70 HydrophobicContact CZ3-CG1 3.73Å; Y44-V70 HydrophobicContact CD1-CG2 4.02Å; Y44-V70 HydrophobicContact CE1-CG2 4.01Å; A61-V70 HydrophobicContact CB-CG2 3.96Å; A61-V70 PolarHBondContact N-O 3.11Å; A61-V70 PolarHBondContact O-N 2.94Å; C63-V70 HydrophobicContact CB-CG1 4.4Å; V70-I72 HydrophobicContact CG2-CD1 4.46Å; V70-I72 HydrophobicContact CG2-CG1 4.04Å; V70-Y106 HydrophobicContact CG1-CD2 3.99Å; V70-Y106 HydrophobicContact CG1-CE2 3.95Å; V70-V118 HydrophobicContact CB-CG1 3.98Å; V70-V118 HydrophobicContact CG1-CG1 4.17Å; V70-V118 HydrophobicContact CG2-CG1 3.91Å
71	A	95.2	Very high	87.9	Confident	7 Å²	7	56 Å²	56	6%	0.058	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.6	160.8	0	0	0	0	0	108.6	V58 M119 L121	V58-A71 HydrophobicContact CG1-CB 4.42Å; A71-M119 HydrophobicContact CB-CG 3.84Å; A71-M119 PolarHBondContact N-O 3.48Å; A71-M119 PolarHBondContact O-N 3.32Å; A71-L121 HydrophobicContact CB-CD1 4.14Å
72	I	95.3	Very high	86.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.7	170.7	-56	-173.5	0	0	0	107.6	Y44 L46 Q59 A61 V70 R74 W116 L117 V118	Y44-I72 HydrophobicContact CD1-CD1 3.81Å; Y44-I72 HydrophobicContact CG-CD1 3.93Å; L46-I72 HydrophobicContact CD2-CD1 4.15Å; Q59-I72 PolarHBondContact N-O 3.22Å; Q59-I72 PolarHBondContact O-N 2.91Å; A61-I72 HydrophobicContact CB-CD1 3.54Å; A61-I72 HydrophobicContact CB-CG1 3.87Å; V70-I72 HydrophobicContact CG2-CD1 4.46Å; V70-I72 HydrophobicContact CG2-CG1 4.04Å; I72-R74 HydrophobicContact CG2-CG 4.05Å; I72-W116 HydrophobicContact CD1-CE3 3.9Å; I72-W116 HydrophobicContact CD1-CZ3 3.98Å; I72-W116 HydrophobicContact CG2-CB 3.88Å; I72-W116 HydrophobicContact CG2-CD2 3.84Å; I72-W116 HydrophobicContact CG2-CE3 3.77Å; I72-W116 HydrophobicContact CG2-CG 3.92Å; I72-L117 WeakPolarHBondContact CA-O 3.49Å; I72-V118 HydrophobicContact CG1-CG2 4.39Å
73	K	91.6	Very high	85.1	Confident	16 Å²	16	58.5 Å²	58.5	7%	0.07	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	108.9	170.4	-170.9	170.9	-163.5	180	0	108.8	A56 V57 V58 I75 L117 M119 D191 S195	A56-K73 HydrophobicContact CB-CG 4.15Å; V57-K73 CarbonylContact O-C 3.58Å; V57-K73 WeakPolarHBondContact O-CA 3.25Å; V58-K73 HydrophobicContact CG2-CB 4.31Å; V58-K73 HydrophobicContact CG2-CD 4.15Å; V58-K73 HydrophobicContact CG2-CG 3.92Å; K73-I75 HydrophobicContact CG-CG1 4.15Å; K73-L117 HydrophobicContact CB-CB 4.29Å; K73-L117 PolarHBondContact N-O 3.42Å; K73-L117 PolarHBondContact O-N 2.88Å; K73-M119 HydrophobicContact CB-CE 3.65Å; K73-D191 IonicContact NZ-OD1 2.88Å; K73-D191 PolarHBondContact NZ-OD1 3.31Å; K73-D191 IonicContact NZ-OD2 3.68Å; K73-D191 PolarHBondContact NZ-OD2 3.05Å; K73-S195 PolarHBondContact NZ-OG 2.94Å
74	R	90.6	Very high	84	Confident	56 Å²	56	62.5 Å²	62.5	21%	0.211	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	111.4	180	-61.3	172	49.2	-158	-12.2	108	A56 V57 I72 E114 W116	A56-R74 CarbonylContact C-O 3.57Å; A56-R74 WeakPolarHBondContact CA-O 3.31Å; A56-R74 WeakPolarHBondContact CB-O 3.5Å; V57-R74 PolarHBondContact N-O 2.99Å; V57-R74 PolarHBondContact O-N 2.91Å; I72-R74 HydrophobicContact CG2-CG 4.05Å; R74-E114 IonicContact CZ-OE1 3.41Å; R74-E114 IonicContact CZ-OE2 2.72Å; R74-E114 IonicContact NE-OE1 3.74Å; R74-E114 PolarHBondContact NE-OE1 3.38Å; R74-E114 IonicContact NE-OE2 3.08Å; R74-E114 PolarHBondContact NE-OE2 3.25Å; R74-E114 IonicContact NH2-OE1 2.74Å; R74-E114 PolarHBondContact NH2-OE1 3.47Å; R74-E114 IonicContact NH2-OE2 3.46Å; R74-E114 PolarHBondContact NH2-OE2 3.43Å; R74-W116 HydrophobicContact CG-CD2 4.34Å; R74-W116 HydrophobicContact CG-CG 4.31Å; R74-W116 HydrophobicContact CG-CZ2 4.49Å
75	I	85.3	Confident	83	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.1	-177.2	-55.3	179.9	0	0	0	107.9	A56 K73 L77 C80 E114 L115 L117 V194 L198	A56-I75 HydrophobicContact CB-CB 4.49Å; A56-I75 HydrophobicContact CB-CG1 3.92Å; K73-I75 HydrophobicContact CG-CG1 4.15Å; I75-L77 PolarHBondContact O-N 3Å; I75-C80 VanDerWaalsContact CG2-SG 3.54Å; I75-E114 CarbonylContact O-C 3.59Å; I75-E114 VanDerWaalsContact O-CA 3.3Å; I75-E114 WeakPolarHBondContact O-CA 3.33Å; I75-L115 HydrophobicContact CB-CB 4.45Å; I75-L115 PolarHBondContact N-O 3.39Å; I75-L115 PolarHBondContact O-N 3.37Å; I75-L117 HydrophobicContact CD1-CD1 3.69Å; I75-L117 HydrophobicContact CD1-CG 4.22Å; I75-V194 HydrophobicContact CD1-CG1 3.57Å; I75-L198 HydrophobicContact CD1-CD1 4.34Å; I75-L198 HydrophobicContact CG2-CD1 3.87Å
76	N	83.2	Confident	81.9	Confident	25 Å²	25	62.7 Å²	62.7	13%	0.134	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	123	178.9	170.8	-78.3	0	0	0	109.9	T55 E78 K79 C80 D113	T55-N76 PolarHBondContact O-N 2.91Å; N76-E78 PolarHBondContact OD1-N 3.08Å; N76-K79 HydrophobicContact CB-CD 4.21Å; N76-K79 WeakPolarHBondContact OD1-CB 3.44Å; N76-K79 VanDerWaalsContact OD1-CG 3.22Å; N76-K79 WeakPolarHBondContact OD1-CG 3.21Å; N76-K79 PolarHBondContact OD1-N 3.3Å; N76-C80 PolarHBondContact O-N 2.93Å; N76-C80 PolarHBondContact O-SG 3.45Å; N76-D113 PolarHBondContact ND2-OD2 2.75Å
77	L	78.8	Confident	81	Confident	38 Å²	38	58.8 Å²	58.8	20%	0.199	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-29.6	-172.1	-65.5	171.5	0	0	0	112.6	I75 C80 M84 L87 V110 D113 L115	I75-L77 PolarHBondContact O-N 3Å; L77-C80 CarbonylContact O-C 3.59Å; L77-C80 PolarHBondContact O-N 3.41Å; L77-M84 HydrophobicContact CD1-CE 4.3Å; L77-M84 HydrophobicContact CD1-SD 4.02Å; L77-M84 HydrophobicContact CD2-SD 3.9Å; L77-L87 HydrophobicContact CD2-CD2 3.57Å; L77-V110 HydrophobicContact CD1-CG1 4.27Å; L77-D113 VanDerWaalsContact CB-O 3.24Å; L77-D113 WeakPolarHBondContact CB-O 3.48Å; L77-D113 WeakPolarHBondContact CG-O 3.47Å; L77-D113 PolarHBondContact N-O 3.12Å; L77-L115 HydrophobicContact CD2-CB 3.96Å; L77-L115 HydrophobicContact CG-CB 4.38Å
78	E	73.9	Confident	80.2	Confident	164 Å²	164	56.4 Å²	56.4	77%	0.766	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-38.7	178.4	-58.7	-165.9	151.6	0	0	112.3	N76 C80	N76-E78 PolarHBondContact OD1-N 3.08Å; E78-C80 VanDerWaalsContact C-N 3.27Å; E78-C80 PolarHBondContact O-N 3.26Å
79	K	66	Low	79.4	Confident	142 Å²	142	60.4 Å²	60.4	62%	0.617	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-28.1	171.7	-69.3	171.7	-171.1	177.9	0	111.8	N76 Q81	N76-K79 HydrophobicContact CB-CD 4.21Å; N76-K79 WeakPolarHBondContact OD1-CB 3.44Å; N76-K79 VanDerWaalsContact OD1-CG 3.22Å; N76-K79 WeakPolarHBondContact OD1-CG 3.21Å; N76-K79 PolarHBondContact OD1-N 3.3Å; K79-Q81 PolarHBondContact O-N 2.91Å
80	C	62.2	Low	78.6	Confident	13 Å²	13	56.6 Å²	56.6	9%	0.088	28%	0.277	C	S	.	.			trans	-86.6	89.9	178.3	-66.6	0	0	0	0	111.5	I75 N76 L77 E78 T82 L198	I75-C80 VanDerWaalsContact CG2-SG 3.54Å; N76-C80 PolarHBondContact O-N 2.93Å; N76-C80 PolarHBondContact O-SG 3.45Å; L77-C80 CarbonylContact O-C 3.59Å; L77-C80 PolarHBondContact O-N 3.41Å; E78-C80 VanDerWaalsContact C-N 3.27Å; E78-C80 PolarHBondContact O-N 3.26Å; C80-T82 PolarHBondContact O-N 3.27Å; C80-L198 HydrophobicContact CB-CD2 4.03Å
81	Q	62.6	Low	78.1	Confident	144 Å²	144	57.3 Å²	57.3	67%	0.673	28%	0.281	S	S	*	.			trans	-65.7	69.3	171.8	-61.7	178.5	5.2	0	0	112.6	K79 R210	K79-Q81 PolarHBondContact O-N 2.91Å; Q81-R210 PolarHBondContact O-NH2 3.1Å
82	T	64.3	Low	77.4	Confident	39 Å²	39	62.3 Å²	62.3	24%	0.239	30%	0.303	C	S	.	.	S	Bend	trans	-147.8	147.1	-170.3	-74.7	0	0	0	0	108.6	C80 E86 F197 L198	C80-T82 PolarHBondContact O-N 3.27Å; T82-E86 HydrophobicContact CG2-CB 4.32Å; T82-F197 HydrophobicContact CG2-CD1 4.4Å; T82-F197 HydrophobicContact CG2-CE1 3.66Å; T82-L198 HydrophobicContact CG2-CD2 4.31Å
83	S	70.7	Confident	76.6	Confident	46 Å²	46	63.1 Å²	63.1	32%	0.322	31%	0.31	S	S	.	.			trans	-80.3	147.2	176.2	70.1	0	0	0	0	112.1	D85 E86 L87	S83-D85 PolarHBondContact O-N 3.45Å; S83-E86 WeakPolarHBondContact CB-OE2 3.44Å; S83-E86 PolarHBondContact N-OE2 2.99Å; S83-E86 VanDerWaalsContact N-OE2 3.08Å; S83-E86 PolarHBondContact O-N 3.1Å; S83-E86 VanDerWaalsContact O-N 3.17Å; S83-E86 VanDerWaalsContact OG-CG 3.25Å; S83-E86 WeakPolarHBondContact OG-CG 3.21Å; S83-E86 PolarHBondContact OG-N 3.34Å; S83-E86 PolarHBondContact OG-OE2 3.14Å; S83-L87 PolarHBondContact O-N 2.99Å; S83-L87 VanDerWaalsContact O-N 3.07Å
84	M	73.8	Confident	76.2	Confident	83 Å²	83	63.3 Å²	63.3	41%	0.409	31%	0.311	S	S	.	.	H	α-helix	trans	-59.8	-29.5	174	-69.3	-62.4	-75	0	0	112.2	L77 L87 L88 V110	L77-M84 HydrophobicContact CD1-CE 4.3Å; L77-M84 HydrophobicContact CD1-SD 4.02Å; L77-M84 HydrophobicContact CD2-SD 3.9Å; M84-L87 HydrophobicContact CE-CD2 4.4Å; M84-L87 PolarHBondContact O-N 2.72Å; M84-L87 HydrophobicContact SD-CD2 3.73Å; M84-L88 VanDerWaalsContact O-CB 3.32Å; M84-L88 WeakPolarHBondContact O-CB 3.48Å; M84-L88 WeakPolarHBondContact O-CG 3.48Å; M84-L88 PolarHBondContact O-N 2.91Å; M84-V110 HydrophobicContact CE-CG2 4.12Å
85	D	75.3	Confident	75.9	Confident	112 Å²	112	63.7 Å²	63.7	60%	0.599	32%	0.322	S	S	*	.	H	α-helix	trans	-70	-31.8	177.6	-62.1	-27.4	0	0	0	113.4	S83 K89	S83-D85 PolarHBondContact O-N 3.45Å; D85-K89 WeakPolarHBondContact O-CD 3.42Å; D85-K89 WeakPolarHBondContact O-CE 3.21Å; D85-K89 WeakPolarHBondContact O-CG 3.44Å
86	E	73	Confident	75.8	Confident	45 Å²	45	70.1 Å²	70.1	21%	0.21	35%	0.352	C	S	.	.	H	α-helix	trans	-73.7	-43.9	171.9	-72.6	153.8	162	0	0	110	T82 S83 L88 K89 E90 F197 R206	T82-E86 HydrophobicContact CG2-CB 4.32Å; S83-E86 WeakPolarHBondContact CB-OE2 3.44Å; S83-E86 PolarHBondContact N-OE2 2.99Å; S83-E86 VanDerWaalsContact N-OE2 3.08Å; S83-E86 PolarHBondContact O-N 3.1Å; S83-E86 VanDerWaalsContact O-N 3.17Å; S83-E86 VanDerWaalsContact OG-CG 3.25Å; S83-E86 WeakPolarHBondContact OG-CG 3.21Å; S83-E86 PolarHBondContact OG-N 3.34Å; S83-E86 PolarHBondContact OG-OE2 3.14Å; E86-L88 PolarHBondContact O-N 3.23Å; E86-K89 PolarHBondContact O-N 3.02Å; E86-E90 PolarHBondContact O-N 3.37Å; E86-F197 HydrophobicContact CB-CE1 4.22Å; E86-F197 HydrophobicContact CB-CZ 3.78Å; E86-F197 HydrophobicContact CG-CZ 4.27Å; E86-R206 IonicContact OE1-NH1 3.56Å
87	L	77.1	Confident	75.9	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-59.4	-44.8	177.7	-161.3	65.1	0	0	0	112	L77 S83 M84 K89 E90 I91 L115 V194 L198	L77-L87 HydrophobicContact CD2-CD2 3.57Å; S83-L87 PolarHBondContact O-N 2.99Å; S83-L87 VanDerWaalsContact O-N 3.07Å; M84-L87 HydrophobicContact CE-CD2 4.4Å; M84-L87 PolarHBondContact O-N 2.72Å; M84-L87 HydrophobicContact SD-CD2 3.73Å; L87-K89 VanDerWaalsContact C-N 3.34Å; L87-K89 PolarHBondContact O-N 3.08Å; L87-E90 PolarHBondContact O-N 3.41Å; L87-I91 HydrophobicContact CG-CD1 4.48Å; L87-I91 VanDerWaalsContact O-CG1 3.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.39Å; L87-I91 PolarHBondContact O-N 3.08Å; L87-L115 HydrophobicContact CD1-CD2 4.18Å; L87-L115 HydrophobicContact CD2-CD2 3.61Å; L87-L115 HydrophobicContact CG-CD2 3.85Å; L87-V194 HydrophobicContact CD1-CB 4.37Å; L87-V194 HydrophobicContact CD1-CG1 3.51Å; L87-V194 HydrophobicContact CD1-CG2 4.09Å; L87-L198 HydrophobicContact CD1-CD1 4.49Å
88	L	78.5	Confident	76.4	Confident	95 Å²	95	72.4 Å²	72.4	50%	0.497	37%	0.373	S	S	.	.	H	α-helix	trans	-64.4	-32.6	178.5	-76.8	167.2	0	0	0	113.2	M84 E86 I91 Q92	M84-L88 VanDerWaalsContact O-CB 3.32Å; M84-L88 WeakPolarHBondContact O-CB 3.48Å; M84-L88 WeakPolarHBondContact O-CG 3.48Å; M84-L88 PolarHBondContact O-N 2.91Å; E86-L88 PolarHBondContact O-N 3.23Å; L88-I91 HydrophobicContact CD2-CD1 4.39Å; L88-I91 PolarHBondContact O-N 2.99Å; L88-Q92 WeakPolarHBondContact O-CB 3.33Å; L88-Q92 PolarHBondContact O-N 3.27Å
89	K	78.4	Confident	77.4	Confident	137 Å²	137	66.4 Å²	66.4	60%	0.596	35%	0.345	S	S	*	.	H	α-helix	trans	-68.5	-42.3	175	-70.5	164.6	-170.9	166.8	0	111.7	D85 E86 L87 Q92 A93	D85-K89 WeakPolarHBondContact O-CD 3.42Å; D85-K89 WeakPolarHBondContact O-CE 3.21Å; D85-K89 WeakPolarHBondContact O-CG 3.44Å; E86-K89 PolarHBondContact O-N 3.02Å; L87-K89 VanDerWaalsContact C-N 3.34Å; L87-K89 PolarHBondContact O-N 3.08Å; K89-Q92 WeakPolarHBondContact O-CB 3.48Å; K89-Q92 PolarHBondContact O-N 2.67Å; K89-A93 PolarHBondContact O-N 3.43Å
90	E	79.9	Confident	78.8	Confident	21 Å²	21	63.6 Å²	63.6	10%	0.098	34%	0.341	C	S	.	.	H	α-helix	trans	-69.6	-32.9	176.7	-69.1	-75.9	-179.6	0	0	111.5	E86 L87 M94 R172 G193 V194 F197	E86-E90 PolarHBondContact O-N 3.37Å; L87-E90 PolarHBondContact O-N 3.41Å; E90-M94 VanDerWaalsContact O-CB 3.28Å; E90-M94 WeakPolarHBondContact O-CB 3.32Å; E90-M94 PolarHBondContact O-N 2.88Å; E90-M94 VanDerWaalsContact O-N 3.08Å; E90-R172 IonicContact OE1-CZ 3.67Å; E90-R172 IonicContact OE1-NH1 2.75Å; E90-R172 PolarHBondContact OE1-NH1 3.01Å; E90-R172 IonicContact OE1-NH2 2.93Å; E90-R172 PolarHBondContact OE1-NH2 3.22Å; E90-R172 IonicContact OE2-NH1 2.66Å; E90-G193 WeakPolarHBondContact OE2-CA 3.35Å; E90-V194 HydrophobicContact CB-CG2 3.95Å; E90-F197 HydrophobicContact CG-CB 3.8Å; E90-F197 HydrophobicContact CG-CD2 3.82Å; E90-F197 HydrophobicContact CG-CG 3.86Å; E90-F197 VanDerWaalsContact OE1-CD2 3.31Å; E90-F197 WeakPolarHBondContact OE1-CD2 3.46Å
91	I	83.8	Confident	80.5	Confident	15 Å²	15	63.3 Å²	63.3	8%	0.077	34%	0.339	C	S	.	.	H	α-helix	trans	-63.8	-43.8	166.9	-65.3	166.4	0	0	0	111	L87 L88 M94 S95 Y105 L115 L117 V194	L87-I91 HydrophobicContact CG-CD1 4.48Å; L87-I91 VanDerWaalsContact O-CG1 3.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.39Å; L87-I91 PolarHBondContact O-N 3.08Å; L88-I91 HydrophobicContact CD2-CD1 4.39Å; L88-I91 PolarHBondContact O-N 2.99Å; I91-M94 HydrophobicContact CG1-CE 4.47Å; I91-M94 PolarHBondContact O-N 2.99Å; I91-S95 WeakPolarHBondContact O-CB 3.27Å; I91-S95 PolarHBondContact O-N 3.13Å; I91-S95 PolarHBondContact O-OG 3.2Å; I91-Y105 WeakPolarHBondContact CG2-OH 3.45Å; I91-L115 HydrophobicContact CD1-CD1 4.16Å; I91-L115 HydrophobicContact CD1-CD2 3.85Å; I91-L117 HydrophobicContact CG1-CD2 4.35Å; I91-V194 HydrophobicContact CD1-CG2 4.48Å; I91-V194 HydrophobicContact CG1-CG2 3.51Å
92	Q	82	Confident	82.1	Confident	112 Å²	112	56.8 Å²	56.8	52%	0.523	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-40.2	-179.9	-174.8	-179.3	9	0	0	112.4	L88 K89 S95 Q96	L88-Q92 WeakPolarHBondContact O-CB 3.33Å; L88-Q92 PolarHBondContact O-N 3.27Å; K89-Q92 WeakPolarHBondContact O-CB 3.48Å; K89-Q92 PolarHBondContact O-N 2.67Å; Q92-S95 PolarHBondContact O-N 3.11Å; Q92-S95 PolarHBondContact O-OG 3.46Å; Q92-Q96 WeakPolarHBondContact O-CG 3.11Å; Q92-Q96 PolarHBondContact O-N 2.89Å
93	A	78.4	Confident	83.5	Confident	17 Å²	17	55.9 Å²	55.9	14%	0.14	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-43.7	173.8	0	0	0	0	0	111.5	K89 Q96 C97	K89-A93 PolarHBondContact O-N 3.43Å; A93-Q96 PolarHBondContact O-N 3.19Å; A93-C97 PolarHBondContact O-SG 3.5Å; A93-C97 VanDerWaalsContact O-SG 3.36Å
94	M	83.3	Confident	84.4	Confident	20 Å²	20	56 Å²	56	10%	0.099	30%	0.302	C	S	.	.	H	α-helix	trans	-63.5	-39.1	176.3	179.4	171.3	50.2	0	0	112.9	E90 I91 Q96 C97 Y105 L117 F192 V194	E90-M94 VanDerWaalsContact O-CB 3.28Å; E90-M94 WeakPolarHBondContact O-CB 3.32Å; E90-M94 PolarHBondContact O-N 2.88Å; E90-M94 VanDerWaalsContact O-N 3.08Å; I91-M94 HydrophobicContact CG1-CE 4.47Å; I91-M94 PolarHBondContact O-N 2.99Å; M94-Q96 PolarHBondContact O-N 3.37Å; M94-C97 PolarHBondContact O-N 2.94Å; M94-Y105 HydrophobicContact CE-CD2 3.59Å; M94-Y105 HydrophobicContact CE-CE2 3.79Å; M94-Y105 HydrophobicContact CE-CG 4.38Å; M94-Y105 HydrophobicContact CG-CD2 4.04Å; M94-Y105 HydrophobicContact CG-CG 3.88Å; M94-Y105 HydrophobicContact SD-CD2 3.85Å; M94-Y105 HydrophobicContact SD-CG 4.26Å; M94-L117 HydrophobicContact CE-CD1 4.17Å; M94-L117 HydrophobicContact CE-CD2 3.99Å; M94-F192 HydrophobicContact CB-CD1 4.48Å; M94-F192 HydrophobicContact CB-CE1 4.37Å; M94-V194 HydrophobicContact CE-CG2 4.13Å
95	S	83.9	Confident	85.2	Confident	64 Å²	64	54 Å²	54	45%	0.448	29%	0.29	S	S	.	.	H	α-helix	trans	-70.2	-16.7	-179.3	72.4	0	0	0	0	114.5	I91 Q92	I91-S95 WeakPolarHBondContact O-CB 3.27Å; I91-S95 PolarHBondContact O-N 3.13Å; I91-S95 PolarHBondContact O-OG 3.2Å; Q92-S95 PolarHBondContact O-N 3.11Å; Q92-S95 PolarHBondContact O-OG 3.46Å
96	Q	83.1	Confident	86.1	Confident	136 Å²	136	50.8 Å²	50.8	64%	0.636	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-10.4	175.6	-65.9	172.5	20.3	0	0	112.9	Q92 A93 M94	Q92-Q96 WeakPolarHBondContact O-CG 3.11Å; Q92-Q96 PolarHBondContact O-N 2.89Å; A93-Q96 PolarHBondContact O-N 3.19Å; M94-Q96 PolarHBondContact O-N 3.37Å
97	C	84.1	Confident	87.1	Confident	17 Å²	17	49.6 Å²	49.6	12%	0.115	27%	0.266	C	S	.	.			trans	-87.4	116.9	-179.3	-72.1	0	0	0	0	111.7	A93 M94 Y163 F192	A93-C97 PolarHBondContact O-SG 3.5Å; A93-C97 VanDerWaalsContact O-SG 3.36Å; M94-C97 PolarHBondContact O-N 2.94Å; C97-Y163 HydrophobicContact CB-CE1 4.1Å; C97-F192 HydrophobicContact CB-CE1 4.25Å; C97-F192 VanDerWaalsContact SG-CE1 3.59Å
98	S	90	Very high	87.8	Confident	94 Å²	94	50.5 Å²	50.5	66%	0.657	27%	0.273	S	S	*	.			trans	-135.9	107	175.3	-172.7	0	0	0	0	110.1	Y163	S98-Y163 PolarHBondContact N-OH 2.79Å
99	H	95.6	Very high	88.5	Confident	38 Å²	38	46.9 Å²	46.9	18%	0.176	25%	0.253	C	S	.	.			trans	-150.7	139.5	-178.4	-167.6	-103.7	0	0	0	110.1	N101 V102 E159 Y163	H99-N101 PolarHBondContact CE1-OD1 3.16Å; H99-N101 PolarHBondContact ND1-N 2.92Å; H99-N101 PolarHBondContact O-N 2.94Å; H99-V102 HydrophobicContact CB-CB 4.26Å; H99-V102 HydrophobicContact CB-CG2 4.09Å; H99-V102 PolarHBondContact O-N 3.37Å; H99-V102 VanDerWaalsContact O-O 3.06Å; H99-E159 PolarHBondContact CE1-O 2.95Å; H99-Y163 HydrophobicContact CB-CD1 3.71Å; H99-Y163 HydrophobicContact CB-CD2 3.91Å; H99-Y163 HydrophobicContact CB-CE1 4.02Å; H99-Y163 HydrophobicContact CB-CE2 4.19Å; H99-Y163 HydrophobicContact CB-CG 3.66Å; H99-Y163 AromaticContact CD2-CD2 3.42Å; H99-Y163 VanDerWaalsContact CD2-CD2 3.42Å; H99-Y163 WeakPolarHBondContact CD2-CD2 3.37Å; H99-Y163 AromaticContact CD2-CG 3.58Å; H99-Y163 AromaticContact CG-CD2 3.83Å; H99-Y163 AromaticContact CG-CG 3.58Å
100	P	96.1	Very high	89.1	Confident	84 Å²	84	44 Å²	44	55%	0.545	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.4	-177.8	23.7	-36.1	0	0	0	115.3	Q188	P100-Q188 VanDerWaalsContact O-CG 3.27Å; P100-Q188 WeakPolarHBondContact O-CG 3.33Å
101	N	97.6	Very high	89.7	Confident	7 Å²	7	44.3 Å²	44.3	4%	0.037	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	14.3	178	-50.1	104.1	0	0	0	113.9	H99 E156 V187 Q188 I189	H99-N101 PolarHBondContact CE1-OD1 3.16Å; H99-N101 PolarHBondContact ND1-N 2.92Å; H99-N101 PolarHBondContact O-N 2.94Å; N101-E156 VanDerWaalsContact CB-O 3.24Å; N101-E156 WeakPolarHBondContact CB-O 3.35Å; N101-E156 WeakPolarHBondContact ND2-CB 3.33Å; N101-E156 PolarHBondContact ND2-OE2 2.96Å; N101-V187 WeakPolarHBondContact CA-O 3.22Å; N101-V187 PolarHBondContact ND2-O 2.62Å; N101-Q188 WeakPolarHBondContact O-CA 3.49Å; N101-I189 PolarHBondContact O-N 2.95Å
102	V	95.1	Very high	90	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.042	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-122.2	134	170.1	179.5	0	0	0	0	107.5	H99 T104 L164	H99-V102 HydrophobicContact CB-CB 4.26Å; H99-V102 HydrophobicContact CB-CG2 4.09Å; H99-V102 PolarHBondContact O-N 3.37Å; H99-V102 VanDerWaalsContact O-O 3.06Å; V102-T104 PolarHBondContact O-N 3.04Å; V102-L164 HydrophobicContact CG2-CD1 4.44Å; V102-L164 HydrophobicContact CG2-CG 4.3Å
103	V	93.3	Very high	90.2	Very high	20 Å²	20	50 Å²	50	12%	0.121	28%	0.275	C	S	.	.			trans	-58.7	125.4	-176.9	170.2	0	0	0	0	110.1	Y105 M119 L122 L180 Q188 I189 A190	V103-Y105 PolarHBondContact O-N 3.11Å; V103-Y105 VanDerWaalsContact O-N 3.1Å; V103-M119 HydrophobicContact CG1-CB 4.08Å; V103-M119 HydrophobicContact CG1-CG 4.25Å; V103-M119 HydrophobicContact CG1-SD 4.25Å; V103-L122 HydrophobicContact CG2-CD1 3.8Å; V103-L180 HydrophobicContact CG2-CD1 4.28Å; V103-Q188 HydrophobicContact CG2-CB 3.82Å; V103-I189 WeakPolarHBondContact CG2-O 3.49Å; V103-I189 PolarHBondContact N-O 3.32Å; V103-A190 HydrophobicContact CB-CB 4.48Å; V103-A190 HydrophobicContact CG2-CB 3.77Å
104	T	90.2	Very high	90.7	Very high	48 Å²	48	50.4 Å²	50.4	29%	0.294	27%	0.274	S	S	.	.			trans	-69.5	110.2	-176.9	-39.9	0	0	0	0	110.4	V102 Y106 M119 K120	V102-T104 PolarHBondContact O-N 3.04Å; T104-Y106 HydrophobicContact CG2-CD1 3.89Å; T104-Y106 HydrophobicContact CG2-CE1 3.64Å; T104-M119 WeakPolarHBondContact O-CA 3.48Å; T104-M119 WeakPolarHBondContact O-CB 3.45Å; T104-K120 PolarHBondContact O-N 3.25Å
105	Y	91.4	Very high	91	Very high	41 Å²	41	49.7 Å²	49.7	16%	0.161	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	138.6	164.3	166.3	-89.1	0	0	0	109.8	I91 M94 V103 T107 S108 L117	I91-Y105 WeakPolarHBondContact CG2-OH 3.45Å; M94-Y105 HydrophobicContact CE-CD2 3.59Å; M94-Y105 HydrophobicContact CE-CE2 3.79Å; M94-Y105 HydrophobicContact CE-CG 4.38Å; M94-Y105 HydrophobicContact CG-CD2 4.04Å; M94-Y105 HydrophobicContact CG-CG 3.88Å; M94-Y105 HydrophobicContact SD-CD2 3.85Å; M94-Y105 HydrophobicContact SD-CG 4.26Å; V103-Y105 PolarHBondContact O-N 3.11Å; V103-Y105 VanDerWaalsContact O-N 3.1Å; Y105-T107 WeakPolarHBondContact CE2-O 3.46Å; Y105-T107 VanDerWaalsContact CZ-C 3.44Å; Y105-T107 VanDerWaalsContact OH-C 3.24Å; Y105-S108 WeakPolarHBondContact OH-CB 3.46Å; Y105-S108 PolarHBondContact OH-N 3.22Å; Y105-S108 VanDerWaalsContact OH-N 3.1Å; Y105-S108 PolarHBondContact OH-OG 2.77Å; Y105-L117 HydrophobicContact CE2-CD2 4.34Å
106	Y	92.9	Very high	91.5	Very high	45 Å²	45	47 Å²	47	18%	0.176	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-49	-174.1	-71.5	-21.5	0	0	0	112.6	W37 E68 V70 T104 V118 K120	W37-Y106 HydrophobicContact CD2-CD2 4.19Å; W37-Y106 HydrophobicContact CD2-CG 4.03Å; W37-Y106 AromaticContact CE2-CD1 3.77Å; W37-Y106 AromaticContact CE2-CD2 3.63Å; W37-Y106 AromaticContact CE2-CG 3.41Å; W37-Y106 VanDerWaalsContact CE2-CG 3.41Å; W37-Y106 HydrophobicContact CE3-CD2 4.3Å; W37-Y106 AromaticContact CH2-CD2 3.3Å; W37-Y106 HydrophobicContact CH2-CD2 3.3Å; W37-Y106 AromaticContact CH2-CE2 3.27Å; W37-Y106 HydrophobicContact CH2-CE2 3.27Å; W37-Y106 HydrophobicContact CH2-CG 4.01Å; W37-Y106 AromaticContact CH2-CZ 3.98Å; W37-Y106 AromaticContact CZ2-CD1 3.75Å; W37-Y106 HydrophobicContact CZ2-CD1 3.75Å; W37-Y106 AromaticContact CZ2-CD2 3.18Å; W37-Y106 HydrophobicContact CZ2-CD2 3.18Å; W37-Y106 AromaticContact CZ2-CE1 3.78Å; W37-Y106 HydrophobicContact CZ2-CE1 3.78Å; W37-Y106 AromaticContact CZ2-CE2 3.19Å; W37-Y106 HydrophobicContact CZ2-CE2 3.19Å; W37-Y106 AromaticContact CZ2-CG 3.43Å; W37-Y106 HydrophobicContact CZ2-CG 3.43Å; W37-Y106 VanDerWaalsContact CZ2-CG 3.43Å; W37-Y106 AromaticContact CZ2-CZ 3.47Å; W37-Y106 VanDerWaalsContact CZ2-CZ 3.47Å; W37-Y106 AromaticContact CZ3-CD2 3.88Å; W37-Y106 HydrophobicContact CZ3-CD2 3.88Å; W37-Y106 HydrophobicContact CZ3-CE2 4.24Å; W37-Y106 AromaticContact NE1-CD1 3.62Å; W37-Y106 AromaticContact NE1-CG 3.61Å; E68-Y106 WeakPolarHBondContact OE1-CE2 3.45Å; E68-Y106 PolarHBondContact OE1-OH 3.02Å; V70-Y106 HydrophobicContact CG1-CD2 3.99Å; V70-Y106 HydrophobicContact CG1-CE2 3.95Å; T104-Y106 HydrophobicContact CG2-CD1 3.89Å; T104-Y106 HydrophobicContact CG2-CE1 3.64Å; Y106-V118 WeakPolarHBondContact CB-O 3.48Å; Y106-V118 HydrophobicContact CD2-CG1 4.3Å; Y106-V118 PolarHBondContact N-O 3.09Å; Y106-K120 HydrophobicContact CE1-CB 4.44Å; Y106-K120 HydrophobicContact CE2-CB 4.24Å
107	T	93.9	Very high	91.9	Very high	19 Å²	19	40.5 Å²	40.5	12%	0.117	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	173	175.4	-168.4	0	0	0	0	110.3	W37 P38 I39 Y105 F109 V118	W37-T107 HydrophobicContact CB-CG2 3.71Å; P38-T107 WeakPolarHBondContact O-CG2 3.38Å; I39-T107 WeakPolarHBondContact CG2-OG1 3.44Å; Y105-T107 WeakPolarHBondContact CE2-O 3.46Å; Y105-T107 VanDerWaalsContact CZ-C 3.44Å; Y105-T107 VanDerWaalsContact OH-C 3.24Å; T107-F109 HydrophobicContact CG2-CD1 4.36Å; T107-F109 HydrophobicContact CG2-CE1 4.35Å; T107-V118 HydrophobicContact CG2-CB 3.89Å; T107-V118 HydrophobicContact CG2-CG2 3.79Å; T107-V118 PolarHBondContact N-O 3.01Å; T107-V118 WeakPolarHBondContact O-CB 3.09Å; T107-V118 PolarHBondContact O-N 3.44Å
108	S	92.9	Very high	92.5	Very high	24 Å²	24	39.7 Å²	39.7	17%	0.168	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	147.2	169.2	65.1	0	0	0	0	112.3	Y105 W116	Y105-S108 WeakPolarHBondContact OH-CB 3.46Å; Y105-S108 PolarHBondContact OH-N 3.22Å; Y105-S108 VanDerWaalsContact OH-N 3.1Å; Y105-S108 PolarHBondContact OH-OG 2.77Å; S108-W116 WeakPolarHBondContact CA-O 3.34Å; S108-W116 WeakPolarHBondContact CB-O 3.45Å
109	F	93.1	Very high	92.7	Very high	19 Å²	19	36.4 Å²	36.4	8%	0.083	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	162.7	177.7	50.7	-87.8	0	0	0	110.2	I39 R41 Y44 T107 V111 W116 V118	I39-F109 HydrophobicContact CB-CB 4.24Å; I39-F109 HydrophobicContact CB-CD1 4.27Å; I39-F109 HydrophobicContact CB-CG 4.47Å; I39-F109 HydrophobicContact CG2-CD1 4.48Å; I39-F109 WeakPolarHBondContact O-CG 3.39Å; R41-F109 HydrophobicContact CB-CE2 4.47Å; Y44-F109 HydrophobicContact CD2-CE1 4.11Å; Y44-F109 AromaticContact CD2-CZ 3.67Å; Y44-F109 HydrophobicContact CD2-CZ 3.67Å; Y44-F109 AromaticContact CE2-CE1 3.6Å; Y44-F109 HydrophobicContact CE2-CE1 3.6Å; Y44-F109 AromaticContact CE2-CZ 3.66Å; Y44-F109 HydrophobicContact CE2-CZ 3.66Å; T107-F109 HydrophobicContact CG2-CD1 4.36Å; T107-F109 HydrophobicContact CG2-CE1 4.35Å; F109-V111 HydrophobicContact CD2-CG2 3.56Å; F109-V111 HydrophobicContact CE2-CG2 3.49Å; F109-V111 VanDerWaalsContact CE2-CG2 3.49Å; F109-W116 HydrophobicContact CD2-CB 4.45Å; F109-W116 HydrophobicContact CE2-CB 4.26Å; F109-W116 HydrophobicContact CE2-CD2 4.2Å; F109-W116 AromaticContact CE2-CE3 3.69Å; F109-W116 HydrophobicContact CE2-CE3 3.69Å; F109-W116 HydrophobicContact CE2-CG 4.47Å; F109-W116 HydrophobicContact CE2-CZ3 4.42Å; F109-W116 HydrophobicContact CZ-CB 4.47Å; F109-W116 AromaticContact CZ-CE3 3.78Å; F109-W116 HydrophobicContact CZ-CE3 3.78Å; F109-W116 PolarHBondContact N-O 2.81Å; F109-W116 VanDerWaalsContact N-O 3.15Å; F109-W116 PolarHBondContact O-N 3.37Å; F109-V118 HydrophobicContact CE1-CG2 3.8Å; F109-V118 HydrophobicContact CZ-CG2 4.44Å
110	V	91.4	Very high	92.6	Very high	77 Å²	77	38 Å²	38	47%	0.467	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	136.5	177.3	179.1	0	0	0	0	109.6	L77 M84 K112 E114	L77-V110 HydrophobicContact CD1-CG1 4.27Å; M84-V110 HydrophobicContact CE-CG2 4.12Å; V110-K112 WeakPolarHBondContact CG1-O 3.3Å; V110-E114 CarbonylContact C-O 3.57Å; V110-E114 WeakPolarHBondContact CA-O 3.47Å
111	V	92.1	Very high	92.5	Very high	27 Å²	27	35 Å²	35	16%	0.164	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	109.9	174.8	-176.7	0	0	0	0	107.7	R41 F109 D113 E114 W116	R41-V111 HydrophobicContact CB-CG1 4.23Å; R41-V111 HydrophobicContact CB-CG2 4.04Å; R41-V111 HydrophobicContact CG-CG1 4.09Å; R41-V111 HydrophobicContact CG-CG2 4.48Å; F109-V111 HydrophobicContact CD2-CG2 3.56Å; F109-V111 HydrophobicContact CE2-CG2 3.49Å; F109-V111 VanDerWaalsContact CE2-CG2 3.49Å; V111-D113 PolarHBondContact O-N 3.1Å; V111-D113 VanDerWaalsContact O-N 3.13Å; V111-E114 PolarHBondContact N-O 2.93Å; V111-E114 PolarHBondContact O-N 3.32Å; V111-W116 HydrophobicContact CB-CD2 4.22Å; V111-W116 HydrophobicContact CB-CG 4.36Å; V111-W116 HydrophobicContact CB-CZ2 4.32Å; V111-W116 HydrophobicContact CG1-CZ2 4.15Å; V111-W116 HydrophobicContact CG2-CD2 3.6Å; V111-W116 HydrophobicContact CG2-CE3 4.02Å; V111-W116 HydrophobicContact CG2-CG 3.84Å; V111-W116 HydrophobicContact CG2-CZ2 4.26Å
112	K	89.9	Confident	92.2	Very high	184 Å²	184	35.1 Å²	35.1	80%	0.8	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	-114.4	-170.4	-59.1	-176.5	175.9	-172.4	0	110.7	V110	V110-K112 WeakPolarHBondContact CG1-O 3.3Å
113	D	85.6	Confident	92	Very high	61 Å²	61	35.6 Å²	35.6	33%	0.326	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	1.1	179.4	59.6	-66.9	0	0	0	113.7	N76 L77 V111	N76-D113 PolarHBondContact ND2-OD2 2.75Å; L77-D113 VanDerWaalsContact CB-O 3.24Å; L77-D113 WeakPolarHBondContact CB-O 3.48Å; L77-D113 WeakPolarHBondContact CG-O 3.47Å; L77-D113 PolarHBondContact N-O 3.12Å; V111-D113 PolarHBondContact O-N 3.1Å; V111-D113 VanDerWaalsContact O-N 3.13Å
114	E	89.6	Confident	91.7	Very high	27 Å²	27	34.9 Å²	34.9	13%	0.126	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.6	-178.3	-60.5	-176.1	148.1	0	0	112.7	R74 I75 V110 V111 W116	R74-E114 IonicContact CZ-OE1 3.41Å; R74-E114 IonicContact CZ-OE2 2.72Å; R74-E114 IonicContact NE-OE1 3.74Å; R74-E114 PolarHBondContact NE-OE1 3.38Å; R74-E114 IonicContact NE-OE2 3.08Å; R74-E114 PolarHBondContact NE-OE2 3.25Å; R74-E114 IonicContact NH2-OE1 2.74Å; R74-E114 PolarHBondContact NH2-OE1 3.47Å; R74-E114 IonicContact NH2-OE2 3.46Å; R74-E114 PolarHBondContact NH2-OE2 3.43Å; I75-E114 CarbonylContact O-C 3.59Å; I75-E114 VanDerWaalsContact O-CA 3.3Å; I75-E114 WeakPolarHBondContact O-CA 3.33Å; V110-E114 CarbonylContact C-O 3.57Å; V110-E114 WeakPolarHBondContact CA-O 3.47Å; V111-E114 PolarHBondContact N-O 2.93Å; V111-E114 PolarHBondContact O-N 3.32Å; E114-W116 PolarHBondContact OE2-NE1 3.48Å
115	L	89.9	Confident	91.6	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.6	157.7	170.8	65.4	0	0	0	109	I75 L77 L87 I91 L117	I75-L115 HydrophobicContact CB-CB 4.45Å; I75-L115 PolarHBondContact N-O 3.39Å; I75-L115 PolarHBondContact O-N 3.37Å; L77-L115 HydrophobicContact CD2-CB 3.96Å; L77-L115 HydrophobicContact CG-CB 4.38Å; L87-L115 HydrophobicContact CD1-CD2 4.18Å; L87-L115 HydrophobicContact CD2-CD2 3.61Å; L87-L115 HydrophobicContact CG-CD2 3.85Å; I91-L115 HydrophobicContact CD1-CD1 4.16Å; I91-L115 HydrophobicContact CD1-CD2 3.85Å; L115-L117 HydrophobicContact CD1-CD2 4.33Å; L115-L117 HydrophobicContact CD2-CD2 3.91Å; L115-L117 HydrophobicContact CD2-CG 4.45Å; L115-L117 HydrophobicContact CG-CD2 4.04Å; L115-L117 HydrophobicContact CG-CG 4.42Å
116	W	93.8	Very high	91.7	Very high	7 Å²	7	31.3 Å²	31.3	3%	0.027	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.5	173.1	-74.4	25.5	0	0	0	109.5	R41 L46 I72 R74 S108 F109 V111 E114	R41-W116 HydrophobicContact CG-CH2 3.79Å; R41-W116 HydrophobicContact CG-CZ2 4.49Å; R41-W116 HydrophobicContact CG-CZ3 4.05Å; L46-W116 HydrophobicContact CD1-CH2 3.8Å; L46-W116 HydrophobicContact CD1-CZ2 4.17Å; L46-W116 HydrophobicContact CD2-CH2 3.88Å; L46-W116 HydrophobicContact CD2-CZ3 4.11Å; L46-W116 HydrophobicContact CG-CH2 4.01Å; I72-W116 HydrophobicContact CD1-CE3 3.9Å; I72-W116 HydrophobicContact CD1-CZ3 3.98Å; I72-W116 HydrophobicContact CG2-CB 3.88Å; I72-W116 HydrophobicContact CG2-CD2 3.84Å; I72-W116 HydrophobicContact CG2-CE3 3.77Å; I72-W116 HydrophobicContact CG2-CG 3.92Å; R74-W116 HydrophobicContact CG-CD2 4.34Å; R74-W116 HydrophobicContact CG-CG 4.31Å; R74-W116 HydrophobicContact CG-CZ2 4.49Å; S108-W116 WeakPolarHBondContact CA-O 3.34Å; S108-W116 WeakPolarHBondContact CB-O 3.45Å; F109-W116 HydrophobicContact CD2-CB 4.45Å; F109-W116 HydrophobicContact CE2-CB 4.26Å; F109-W116 HydrophobicContact CE2-CD2 4.2Å; F109-W116 AromaticContact CE2-CE3 3.69Å; F109-W116 HydrophobicContact CE2-CE3 3.69Å; F109-W116 HydrophobicContact CE2-CG 4.47Å; F109-W116 HydrophobicContact CE2-CZ3 4.42Å; F109-W116 HydrophobicContact CZ-CB 4.47Å; F109-W116 AromaticContact CZ-CE3 3.78Å; F109-W116 HydrophobicContact CZ-CE3 3.78Å; F109-W116 PolarHBondContact N-O 2.81Å; F109-W116 VanDerWaalsContact N-O 3.15Å; F109-W116 PolarHBondContact O-N 3.37Å; V111-W116 HydrophobicContact CB-CD2 4.22Å; V111-W116 HydrophobicContact CB-CG 4.36Å; V111-W116 HydrophobicContact CB-CZ2 4.32Å; V111-W116 HydrophobicContact CG1-CZ2 4.15Å; V111-W116 HydrophobicContact CG2-CD2 3.6Å; V111-W116 HydrophobicContact CG2-CE3 4.02Å; V111-W116 HydrophobicContact CG2-CG 3.84Å; V111-W116 HydrophobicContact CG2-CZ2 4.26Å; E114-W116 PolarHBondContact OE2-NE1 3.48Å
117	L	92.7	Very high	91.8	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.5	169.1	-56.6	178.4	0	0	0	109.1	I72 K73 I75 I91 M94 Y105 L115 M119 V194	I72-L117 WeakPolarHBondContact CA-O 3.49Å; K73-L117 HydrophobicContact CB-CB 4.29Å; K73-L117 PolarHBondContact N-O 3.42Å; K73-L117 PolarHBondContact O-N 2.88Å; I75-L117 HydrophobicContact CD1-CD1 3.69Å; I75-L117 HydrophobicContact CD1-CG 4.22Å; I91-L117 HydrophobicContact CG1-CD2 4.35Å; M94-L117 HydrophobicContact CE-CD1 4.17Å; M94-L117 HydrophobicContact CE-CD2 3.99Å; Y105-L117 HydrophobicContact CE2-CD2 4.34Å; L115-L117 HydrophobicContact CD1-CD2 4.33Å; L115-L117 HydrophobicContact CD2-CD2 3.91Å; L115-L117 HydrophobicContact CD2-CG 4.45Å; L115-L117 HydrophobicContact CG-CD2 4.04Å; L115-L117 HydrophobicContact CG-CG 4.42Å; L117-M119 HydrophobicContact CB-CE 3.86Å; L117-V194 HydrophobicContact CD1-CB 4.15Å; L117-V194 HydrophobicContact CD1-CG1 4.19Å
118	V	95.1	Very high	91.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.6	176.5	-171.5	0	0	0	0	109.2	Y44 V70 I72 Y106 T107 F109	Y44-V118 HydrophobicContact CE1-CG1 3.79Å; Y44-V118 HydrophobicContact CE1-CG2 4.19Å; Y44-V118 HydrophobicContact CE2-CG2 4.48Å; V70-V118 HydrophobicContact CB-CG1 3.98Å; V70-V118 HydrophobicContact CG1-CG1 4.17Å; V70-V118 HydrophobicContact CG2-CG1 3.91Å; I72-V118 HydrophobicContact CG1-CG2 4.39Å; Y106-V118 WeakPolarHBondContact CB-O 3.48Å; Y106-V118 HydrophobicContact CD2-CG1 4.3Å; Y106-V118 PolarHBondContact N-O 3.09Å; T107-V118 HydrophobicContact CG2-CB 3.89Å; T107-V118 HydrophobicContact CG2-CG2 3.79Å; T107-V118 PolarHBondContact N-O 3.01Å; T107-V118 WeakPolarHBondContact O-CB 3.09Å; T107-V118 PolarHBondContact O-N 3.44Å; F109-V118 HydrophobicContact CE1-CG2 3.8Å; F109-V118 HydrophobicContact CZ-CG2 4.44Å
119	M	94.1	Very high	91.4	Very high	25 Å²	25	31.9 Å²	31.9	12%	0.123	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	165.9	-176.8	66.9	-166.7	72.9	0	0	112.2	A71 K73 V103 T104 L117 L121	A71-M119 HydrophobicContact CB-CG 3.84Å; A71-M119 PolarHBondContact N-O 3.48Å; A71-M119 PolarHBondContact O-N 3.32Å; K73-M119 HydrophobicContact CB-CE 3.65Å; V103-M119 HydrophobicContact CG1-CB 4.08Å; V103-M119 HydrophobicContact CG1-CG 4.25Å; V103-M119 HydrophobicContact CG1-SD 4.25Å; T104-M119 WeakPolarHBondContact O-CA 3.48Å; T104-M119 WeakPolarHBondContact O-CB 3.45Å; L117-M119 HydrophobicContact CB-CE 3.86Å; M119-L121 PolarHBondContact O-N 2.84Å
120	K	93.7	Very high	91.3	Very high	72 Å²	72	31 Å²	31	31%	0.313	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	130.5	175.9	-179.6	172.3	179.3	178.5	0	111.8	T104 Y106 L122	T104-K120 PolarHBondContact O-N 3.25Å; Y106-K120 HydrophobicContact CE1-CB 4.44Å; Y106-K120 HydrophobicContact CE2-CB 4.24Å; K120-L122 HydrophobicContact CD-CD2 4.24Å; K120-L122 HydrophobicContact CG-CD2 4.26Å
121	L	93.4	Very high	91.3	Very high	20 Å²	20	27.5 Å²	27.5	11%	0.105	14%	0.138	C	C	.	.			trans	-75.5	139.7	171.7	-175.9	60.4	0	0	0	110.9	I50 R69 A71 M119	I50-L121 HydrophobicContact CD1-CD1 3.52Å; R69-L121 HydrophobicContact CB-CD2 3.89Å; A71-L121 HydrophobicContact CB-CD1 4.14Å; M119-L121 PolarHBondContact O-N 2.84Å
122	L	92.9	Very high	91.2	Very high	9 Å²	9	30.9 Å²	30.9	5%	0.047	15%	0.15	C	C	.	.			trans	-132.5	91.4	179.8	-65.6	177.6	0	0	0	110.7	V103 K120 G124 G125 L180 L181 Q188	V103-L122 HydrophobicContact CG2-CD1 3.8Å; K120-L122 HydrophobicContact CD-CD2 4.24Å; K120-L122 HydrophobicContact CG-CD2 4.26Å; L122-G124 PolarHBondContact O-N 3.18Å; L122-G124 VanDerWaalsContact O-N 3.17Å; L122-G125 PolarHBondContact O-N 3.13Å; L122-G125 VanDerWaalsContact O-N 3.14Å; L122-L180 HydrophobicContact CB-CB 4.17Å; L122-L180 HydrophobicContact CD1-CB 3.6Å; L122-L180 HydrophobicContact CD1-CD1 4.2Å; L122-L181 CarbonylContact C-O 3.54Å; L122-Q188 HydrophobicContact CD1-CB 3.88Å; L122-Q188 HydrophobicContact CD1-CG 4.41Å
123	S	89.3	Confident	91.1	Very high	17 Å²	17	25.3 Å²	25.3	12%	0.119	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-4	-167.2	-28.2	0	0	0	0	115.9	G125 E183 I338	S123-G125 PolarHBondContact O-N 3.05Å; S123-E183 WeakPolarHBondContact CB-OE1 3.45Å; S123-E183 PolarHBondContact OG-OE1 2.9Å; S123-I338 WeakPolarHBondContact O-CB 3.16Å; S123-I338 PolarHBondContact O-N 2.89Å
124	G	87.6	Confident	91.4	Very high	5 Å²	5	23.3 Å²	23.3	5%	0.052	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-13.8	168.2	0	0	0	0	0	113	L122 L181 R341	L122-G124 PolarHBondContact O-N 3.18Å; L122-G124 VanDerWaalsContact O-N 3.17Å; G124-L181 VanDerWaalsContact CA-O 3.23Å; G124-L181 WeakPolarHBondContact CA-O 3.3Å; G124-L181 PolarHBondContact N-O 3.24Å; G124-R341 VanDerWaalsContact O-CZ 3.27Å; G124-R341 PolarHBondContact O-NH1 3.21Å; G124-R341 PolarHBondContact O-NH2 3.19Å
125	G	89.2	Confident	91.4	Very high	5 Å²	5	24.4 Å²	24.4	5%	0.052	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.5	-162	-176.7	0	0	0	0	0	112.7	L122 S123 L180 L181	L122-G125 PolarHBondContact O-N 3.13Å; L122-G125 VanDerWaalsContact O-N 3.14Å; S123-G125 PolarHBondContact O-N 3.05Å; G125-L180 WeakPolarHBondContact O-CA 3.31Å; G125-L181 PolarHBondContact O-N 3.24Å
126	S	92	Very high	91.3	Very high	9 Å²	9	30.9 Å²	30.9	6%	0.063	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	158.3	-178.9	75.1	0	0	0	0	113.3	L128 D129 I130 G177 I179	S126-L128 PolarHBondContact O-N 3.45Å; S126-L128 PolarHBondContact OG-N 3Å; S126-D129 WeakPolarHBondContact CB-OD2 3.37Å; S126-D129 PolarHBondContact N-OD2 2.74Å; S126-D129 VanDerWaalsContact N-OD2 3.11Å; S126-D129 PolarHBondContact O-N 3.22Å; S126-D129 VanDerWaalsContact O-N 3.09Å; S126-D129 PolarHBondContact OG-N 2.9Å; S126-D129 PolarHBondContact OG-OD2 3.06Å; S126-I130 PolarHBondContact O-N 3.04Å; S126-G177 VanDerWaalsContact CB-O 3.27Å; S126-G177 WeakPolarHBondContact CB-O 3.43Å; S126-I179 CarbonylContact C-O 3.43Å; S126-I179 WeakPolarHBondContact CA-O 3.47Å
127	M	94.8	Very high	91	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.7	-27.4	169.5	-71.8	-54.2	-46.6	0	0	112.6	D129 I130 I131 L145 I153 A176 I179 L181 L247 L331	M127-D129 VanDerWaalsContact C-N 3.3Å; M127-D129 PolarHBondContact O-N 3.18Å; M127-I130 HydrophobicContact CE-CB 4.16Å; M127-I130 HydrophobicContact CE-CD1 4.31Å; M127-I130 HydrophobicContact CE-CG2 4.09Å; M127-I130 PolarHBondContact O-N 2.94Å; M127-I130 HydrophobicContact SD-CD1 4.07Å; M127-I131 VanDerWaalsContact O-CG1 3.31Å; M127-I131 WeakPolarHBondContact O-CG1 3.49Å; M127-I131 PolarHBondContact O-N 3.4Å; M127-L145 HydrophobicContact CE-CD1 3.65Å; M127-I153 HydrophobicContact CE-CD1 3.56Å; M127-I153 HydrophobicContact CG-CD1 4.49Å; M127-I153 HydrophobicContact CG-CG2 4.32Å; M127-I153 HydrophobicContact SD-CD1 3.62Å; M127-I153 HydrophobicContact SD-CG1 4.43Å; M127-A176 HydrophobicContact CB-CB 3.93Å; M127-A176 WeakPolarHBondContact CB-O 3.48Å; M127-A176 PolarHBondContact N-O 3.06Å; M127-I179 HydrophobicContact CB-CB 4.36Å; M127-I179 HydrophobicContact CG-CB 3.99Å; M127-I179 HydrophobicContact CG-CG2 3.7Å; M127-I179 PolarHBondContact N-O 3.45Å; M127-L181 HydrophobicContact SD-CD1 3.79Å; M127-L181 HydrophobicContact SD-CD2 4.16Å; M127-L181 HydrophobicContact SD-CG 4.01Å; M127-L247 HydrophobicContact CB-CD2 3.9Å; M127-L247 HydrophobicContact CE-CD2 3.98Å; M127-L247 HydrophobicContact CG-CD2 4.25Å; M127-L331 HydrophobicContact CE-CD1 4.07Å; M127-L331 HydrophobicContact SD-CD1 4.3Å
128	L	91.3	Very high	90.8	Very high	55 Å²	55	38.5 Å²	38.5	29%	0.288	20%	0.195	S	C	.	.	H	α-helix	trans	-64.1	-34	172.1	177.5	61.7	0	0	0	112.3	S126 I131 K132 A176	S126-L128 PolarHBondContact O-N 3.45Å; S126-L128 PolarHBondContact OG-N 3Å; L128-I131 WeakPolarHBondContact O-CB 3.42Å; L128-I131 PolarHBondContact O-N 2.59Å; L128-K132 VanDerWaalsContact O-CG 3.29Å; L128-K132 WeakPolarHBondContact O-CG 3.44Å; L128-K132 PolarHBondContact O-N 2.83Å; L128-A176 HydrophobicContact CB-CB 4.47Å; L128-A176 PolarHBondContact N-O 3.46Å; L128-A176 VanDerWaalsContact N-O 3.13Å
129	D	88.1	Confident	90.5	Very high	46 Å²	46	43 Å²	43	25%	0.246	22%	0.216	C	C	.	.	H	α-helix	trans	-73.8	-34.4	177.4	-54.4	-46.4	0	0	0	111.9	S126 M127 K132 Y133	S126-D129 WeakPolarHBondContact CB-OD2 3.37Å; S126-D129 PolarHBondContact N-OD2 2.74Å; S126-D129 VanDerWaalsContact N-OD2 3.11Å; S126-D129 PolarHBondContact O-N 3.22Å; S126-D129 VanDerWaalsContact O-N 3.09Å; S126-D129 PolarHBondContact OG-N 2.9Å; S126-D129 PolarHBondContact OG-OD2 3.06Å; M127-D129 VanDerWaalsContact C-N 3.3Å; M127-D129 PolarHBondContact O-N 3.18Å; D129-K132 PolarHBondContact O-N 2.68Å; D129-K132 IonicContact OD1-NZ 3.12Å; D129-K132 PolarHBondContact OD1-NZ 3.14Å; D129-K132 VanDerWaalsContact OD1-NZ 3.08Å; D129-Y133 WeakPolarHBondContact O-CB 3.32Å; D129-Y133 PolarHBondContact O-N 3.27Å
130	I	91.1	Very high	90.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-42.8	171.2	-62.9	-170	0	0	0	110.6	S126 M127 Y133 I134 L181 L331 T335	S126-I130 PolarHBondContact O-N 3.04Å; M127-I130 HydrophobicContact CE-CB 4.16Å; M127-I130 HydrophobicContact CE-CD1 4.31Å; M127-I130 HydrophobicContact CE-CG2 4.09Å; M127-I130 PolarHBondContact O-N 2.94Å; M127-I130 HydrophobicContact SD-CD1 4.07Å; I130-Y133 PolarHBondContact O-N 3.19Å; I130-I134 HydrophobicContact CG2-CD1 3.88Å; I130-I134 WeakPolarHBondContact O-CG1 3.46Å; I130-I134 PolarHBondContact O-N 3Å; I130-L181 HydrophobicContact CD1-CD1 3.56Å; I130-L331 HydrophobicContact CD1-CB 4.33Å; I130-L331 HydrophobicContact CD1-CD1 4.18Å; I130-L331 HydrophobicContact CG2-CD2 3.99Å; I130-T335 HydrophobicContact CD1-CG2 4.44Å; I130-T335 HydrophobicContact CG1-CG2 4.1Å; I130-T335 HydrophobicContact CG2-CG2 4.24Å
131	I	92.1	Very high	89.9	Confident	4 Å²	4	48 Å²	48	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-56.6	-54.5	171.4	-73.7	164.5	0	0	0	110.4	M127 L128 Y133 I134 V135 V144 A176 E246 L247 G250	M127-I131 VanDerWaalsContact O-CG1 3.31Å; M127-I131 WeakPolarHBondContact O-CG1 3.49Å; M127-I131 PolarHBondContact O-N 3.4Å; L128-I131 WeakPolarHBondContact O-CB 3.42Å; L128-I131 PolarHBondContact O-N 2.59Å; I131-Y133 VanDerWaalsContact C-N 3.27Å; I131-Y133 PolarHBondContact O-N 3.25Å; I131-I134 PolarHBondContact O-N 2.92Å; I131-V135 HydrophobicContact CG2-CG2 4.12Å; I131-V135 WeakPolarHBondContact O-CB 3.36Å; I131-V135 VanDerWaalsContact O-CG2 3.27Å; I131-V135 WeakPolarHBondContact O-CG2 3.5Å; I131-V135 PolarHBondContact O-N 3.29Å; I131-V144 HydrophobicContact CG1-CG1 4.16Å; I131-A176 HydrophobicContact CD1-CB 3.87Å; I131-E246 HydrophobicContact CD1-CG 4.03Å; I131-L247 HydrophobicContact CD1-CD2 4.31Å; I131-G250 WeakPolarHBondContact CG2-O 3.27Å
132	K	88.7	Confident	89.6	Confident	98 Å²	98	52.8 Å²	52.8	43%	0.426	26%	0.263	S	S	.	.	H	α-helix	trans	-54.7	-42.9	178.7	-72	166.9	-170.2	156.7	0	111.7	L128 D129 V135 N136	L128-K132 VanDerWaalsContact O-CG 3.29Å; L128-K132 WeakPolarHBondContact O-CG 3.44Å; L128-K132 PolarHBondContact O-N 2.83Å; D129-K132 PolarHBondContact O-N 2.68Å; D129-K132 IonicContact OD1-NZ 3.12Å; D129-K132 PolarHBondContact OD1-NZ 3.14Å; D129-K132 VanDerWaalsContact OD1-NZ 3.08Å; K132-V135 PolarHBondContact O-N 2.76Å; K132-N136 VanDerWaalsContact O-CB 3.25Å; K132-N136 WeakPolarHBondContact O-CB 3.46Å; K132-N136 PolarHBondContact O-N 2.83Å; K132-N136 PolarHBondContact O-OD1 3.24Å
133	Y	88.8	Confident	89.4	Confident	66 Å²	66	52.6 Å²	52.6	26%	0.259	26%	0.263	S	S	.	.	H	α-helix	trans	-62.5	-47.7	179.3	-178.3	-99.3	0	0	0	112.7	D129 I130 I131 R137 R334 T335 P336	D129-Y133 WeakPolarHBondContact O-CB 3.32Å; D129-Y133 PolarHBondContact O-N 3.27Å; I130-Y133 PolarHBondContact O-N 3.19Å; I131-Y133 VanDerWaalsContact C-N 3.27Å; I131-Y133 PolarHBondContact O-N 3.25Å; Y133-R137 VanDerWaalsContact CZ-CD 3.41Å; Y133-R137 WeakPolarHBondContact O-CG 3.47Å; Y133-R137 PolarHBondContact O-N 2.94Å; Y133-R137 VanDerWaalsContact O-N 3.16Å; Y133-R137 PolarHBondContact OH-NH1 2.72Å; Y133-R334 WeakPolarHBondContact CE1-O 3.37Å; Y133-R334 VanDerWaalsContact CZ-O 3.3Å; Y133-R334 PolarHBondContact OH-O 3.18Å; Y133-R334 VanDerWaalsContact OH-O 3.08Å; Y133-T335 HydrophobicContact CD1-CG2 3.87Å; Y133-T335 HydrophobicContact CE1-CG2 4.29Å; Y133-T335 HydrophobicContact CG-CG2 4.43Å; Y133-P336 HydrophobicContact CD2-CG 4.06Å; Y133-P336 HydrophobicContact CE2-CG 4.04Å
134	I	90.4	Very high	89.6	Confident	19 Å²	19	52.3 Å²	52.3	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-67.3	-37.9	177.8	-64.8	167.2	0	0	0	111.1	I130 I131 G138 E139 H140 V144 L145	I130-I134 HydrophobicContact CG2-CD1 3.88Å; I130-I134 WeakPolarHBondContact O-CG1 3.46Å; I130-I134 PolarHBondContact O-N 3Å; I131-I134 PolarHBondContact O-N 2.92Å; I134-G138 PolarHBondContact O-N 2.79Å; I134-E139 HydrophobicContact CG2-CB 4.01Å; I134-E139 PolarHBondContact O-N 2.81Å; I134-H140 HydrophobicContact CG2-CB 4.43Å; I134-V144 HydrophobicContact CB-CG1 3.97Å; I134-V144 HydrophobicContact CD1-CG1 3.96Å; I134-V144 HydrophobicContact CG2-CG1 3.81Å; I134-L145 HydrophobicContact CD1-CD2 3.63Å
135	V	89.8	Confident	90	Very high	51 Å²	51	52.3 Å²	52.3	31%	0.309	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-51.2	177.3	169.6	0	0	0	0	110.6	I131 K132 R137 G138 H140 V144	I131-V135 HydrophobicContact CG2-CG2 4.12Å; I131-V135 WeakPolarHBondContact O-CB 3.36Å; I131-V135 VanDerWaalsContact O-CG2 3.27Å; I131-V135 WeakPolarHBondContact O-CG2 3.5Å; I131-V135 PolarHBondContact O-N 3.29Å; K132-V135 PolarHBondContact O-N 2.76Å; V135-R137 VanDerWaalsContact C-N 3.25Å; V135-R137 PolarHBondContact O-N 2.8Å; V135-G138 PolarHBondContact O-N 2.86Å; V135-H140 WeakPolarHBondContact CA-ND1 3.18Å; V135-H140 HydrophobicContact CG2-CB 4.13Å; V135-H140 PolarHBondContact O-CE1 3.07Å; V135-H140 PolarHBondContact O-ND1 3.01Å; V135-H140 VanDerWaalsContact O-ND1 3.11Å; V135-V144 HydrophobicContact CG2-CG2 4.22Å
136	N	88.5	Confident	90.4	Very high	140 Å²	140	55.9 Å²	55.9	75%	0.749	28%	0.275	S	S	*	.	H	α-helix	trans	-63.1	-27.3	-179.6	-69.9	-2.3	0	0	0	113.4	K132 G138	K132-N136 VanDerWaalsContact O-CB 3.25Å; K132-N136 WeakPolarHBondContact O-CB 3.46Å; K132-N136 PolarHBondContact O-N 2.83Å; K132-N136 PolarHBondContact O-OD1 3.24Å; N136-G138 VanDerWaalsContact C-N 3.29Å
137	R	88.4	Confident	90.6	Very high	138 Å²	138	56.9 Å²	56.9	52%	0.521	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-5.1	172.3	-73.5	175.6	58.5	124	8	114	Y133 V135 E139	Y133-R137 VanDerWaalsContact CZ-CD 3.41Å; Y133-R137 WeakPolarHBondContact O-CG 3.47Å; Y133-R137 PolarHBondContact O-N 2.94Å; Y133-R137 VanDerWaalsContact O-N 3.16Å; Y133-R137 PolarHBondContact OH-NH1 2.72Å; V135-R137 VanDerWaalsContact C-N 3.25Å; V135-R137 PolarHBondContact O-N 2.8Å; R137-E139 HydrophobicContact CB-CG 4.12Å; R137-E139 IonicContact CZ-OE1 2.7Å; R137-E139 IonicContact NE-OE1 2.84Å; R137-E139 PolarHBondContact NE-OE1 3.17Å; R137-E139 IonicContact NE-OE2 3.13Å; R137-E139 IonicContact NH2-OE1 3.5Å; R137-E139 PolarHBondContact NH2-OE1 3.4Å; R137-E139 PolarHBondContact O-N 2.71Å
138	G	88.3	Confident	90.8	Very high	29 Å²	29	57.6 Å²	57.6	30%	0.299	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	10.4	-177.2	0	0	0	0	0	114.5	I134 V135 N136 H140	I134-G138 PolarHBondContact O-N 2.79Å; V135-G138 PolarHBondContact O-N 2.86Å; N136-G138 VanDerWaalsContact C-N 3.29Å; G138-H140 VanDerWaalsContact C-N 3.27Å; G138-H140 PolarHBondContact O-N 3.45Å
139	E	89.2	Confident	91.1	Very high	94 Å²	94	55.4 Å²	55.4	44%	0.439	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-79.5	-11.8	-175.9	-72.4	173.5	-159.5	0	0	112.6	I134 R137 K141	I134-E139 HydrophobicContact CG2-CB 4.01Å; I134-E139 PolarHBondContact O-N 2.81Å; R137-E139 HydrophobicContact CB-CG 4.12Å; R137-E139 IonicContact CZ-OE1 2.7Å; R137-E139 IonicContact NE-OE1 2.84Å; R137-E139 PolarHBondContact NE-OE1 3.17Å; R137-E139 IonicContact NE-OE2 3.13Å; R137-E139 IonicContact NH2-OE1 3.5Å; R137-E139 PolarHBondContact NH2-OE1 3.4Å; R137-E139 PolarHBondContact O-N 2.71Å; E139-K141 PolarHBondContact O-N 3.29Å; E139-K141 VanDerWaalsContact O-N 3.14Å
140	H	89	Confident	91.6	Very high	55 Å²	55	53.2 Å²	53.2	26%	0.255	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-69	-2.3	179.5	67.3	-90.8	0	0	0	115.7	I134 V135 G138 N142 G143 V144 M283	I134-H140 HydrophobicContact CG2-CB 4.43Å; V135-H140 WeakPolarHBondContact CA-ND1 3.18Å; V135-H140 HydrophobicContact CG2-CB 4.13Å; V135-H140 PolarHBondContact O-CE1 3.07Å; V135-H140 PolarHBondContact O-ND1 3.01Å; V135-H140 VanDerWaalsContact O-ND1 3.11Å; G138-H140 VanDerWaalsContact C-N 3.27Å; G138-H140 PolarHBondContact O-N 3.45Å; H140-N142 VanDerWaalsContact C-N 3.26Å; H140-N142 PolarHBondContact O-N 3.11Å; H140-G143 WeakPolarHBondContact O-CA 3.27Å; H140-G143 PolarHBondContact O-N 3.24Å; H140-V144 HydrophobicContact CB-CG2 3.83Å; H140-M283 WeakPolarHBondContact O-CE 3.47Å
141	K	84.4	Confident	92	Very high	147 Å²	147	53.2 Å²	53.2	64%	0.639	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-57.5	-32.8	-172.1	-73.3	177.8	-177.5	-178.2	0	114.3	E139 M283	E139-K141 PolarHBondContact O-N 3.29Å; E139-K141 VanDerWaalsContact O-N 3.14Å; K141-M283 VanDerWaalsContact O-CG 3.3Å; K141-M283 WeakPolarHBondContact O-CG 3.4Å
142	N	87.3	Confident	92.3	Very high	122 Å²	122	53.3 Å²	53.3	65%	0.652	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-102.9	34.9	173.8	-68.1	-19.1	0	0	0	111.5	H140 M283 K286	H140-N142 VanDerWaalsContact C-N 3.26Å; H140-N142 PolarHBondContact O-N 3.11Å; N142-M283 CarbonylContact C-O 3.56Å; N142-K286 WeakPolarHBondContact O-CD 3.37Å; N142-K286 WeakPolarHBondContact O-CE 3.32Å; N142-K286 PolarHBondContact O-NZ 3.34Å
143	G	90	Very high	92.8	Very high	4 Å²	4	48.6 Å²	48.6	4%	0.041	24%	0.242	C	C	.	.			trans	76	145.9	-171.7	0	0	0	0	0	113.2	H140 A248 K286 Y287	H140-G143 WeakPolarHBondContact O-CA 3.27Å; H140-G143 PolarHBondContact O-N 3.24Å; G143-A248 CarbonylContact C-O 3.56Å; G143-A248 WeakPolarHBondContact CA-O 3.24Å; G143-K286 PolarHBondContact O-NZ 2.97Å; G143-Y287 WeakPolarHBondContact CA-OH 3.39Å
144	V	93.8	Very high	93.2	Very high	12 Å²	12	45.5 Å²	45.5	7%	0.073	23%	0.229	C	C	.	.	S	Bend	trans	-66.1	-53.3	-163.1	-177.5	0	0	0	0	113.8	I131 I134 V135 H140 A248	I131-V144 HydrophobicContact CG1-CG1 4.16Å; I134-V144 HydrophobicContact CB-CG1 3.97Å; I134-V144 HydrophobicContact CD1-CG1 3.96Å; I134-V144 HydrophobicContact CG2-CG1 3.81Å; V135-V144 HydrophobicContact CG2-CG2 4.22Å; H140-V144 HydrophobicContact CB-CG2 3.83Å; V144-A248 PolarHBondContact N-O 3.36Å
145	L	96	Very high	93.6	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.026	24%	0.238	C	C	.	.	S	Bend	trans	-113.7	161.6	-179.3	-60.3	179	0	0	0	111.5	M127 I134 I149 I150 I153 L247 K286 Y287 L331	M127-L145 HydrophobicContact CE-CD1 3.65Å; I134-L145 HydrophobicContact CD1-CD2 3.63Å; L145-I149 HydrophobicContact CB-CG2 4.44Å; L145-I149 HydrophobicContact CD1-CG2 4.15Å; L145-I149 HydrophobicContact CD2-CG2 4.32Å; L145-I150 HydrophobicContact CB-CD1 3.98Å; L145-I150 HydrophobicContact CB-CG1 3.65Å; L145-I150 HydrophobicContact CD1-CG1 4.34Å; L145-I153 HydrophobicContact CD1-CD1 4.49Å; L145-L247 WeakPolarHBondContact CB-O 3.48Å; L145-L247 HydrophobicContact CD1-CB 4.22Å; L145-L247 HydrophobicContact CD1-CD2 3.89Å; L145-L247 WeakPolarHBondContact CG-O 3.37Å; L145-K286 WeakPolarHBondContact O-CE 3.41Å; L145-K286 PolarHBondContact O-NZ 3.08Å; L145-Y287 WeakPolarHBondContact O-CE1 3.31Å; L145-Y287 PolarHBondContact O-OH 3.01Å; L145-L331 HydrophobicContact CD2-CD2 3.96Å
146	E	95.8	Very high	94.1	Very high	79 Å²	79	46.9 Å²	46.9	37%	0.369	23%	0.231	S	C	.	.			trans	-88.4	155.7	172	68.4	-177.3	151.5	0	0	111.9	A148 I149 I150 Y326	E146-A148 HydrophobicContact CG-CB 4.27Å; E146-A148 PolarHBondContact O-N 3.33Å; E146-A148 VanDerWaalsContact O-N 3.11Å; E146-I149 HydrophobicContact CG-CB 4.02Å; E146-I149 HydrophobicContact CG-CD1 3.83Å; E146-I149 HydrophobicContact CG-CG1 3.68Å; E146-I149 PolarHBondContact O-N 3.17Å; E146-I149 VanDerWaalsContact O-N 3.13Å; E146-I149 WeakPolarHBondContact OE1-CD1 3.39Å; E146-I150 WeakPolarHBondContact O-CG1 3.43Å; E146-I150 PolarHBondContact O-N 3.32Å; E146-Y326 PolarHBondContact OE1-OH 2.91Å
147	E	98.1	Very high	94.5	Very high	30 Å²	30	40.2 Å²	40.2	14%	0.14	20%	0.196	C	C	.	.	H	α-helix	trans	-57.6	-28.8	-178.7	-73.2	-172.2	103.6	0	0	113.6	A151 Y287 G288 F291 F317 K320	E147-A151 WeakPolarHBondContact O-CB 3.41Å; E147-A151 PolarHBondContact O-N 3.37Å; E147-Y287 HydrophobicContact CG-CD1 3.85Å; E147-G288 PolarHBondContact OE1-N 2.9Å; E147-F291 WeakPolarHBondContact OE1-CB 3.31Å; E147-F317 HydrophobicContact CB-CE2 3.92Å; E147-F317 HydrophobicContact CB-CZ 4.41Å; E147-F317 HydrophobicContact CG-CE2 3.99Å; E147-K320 HydrophobicContact CB-CD 3.87Å; E147-K320 IonicContact OE1-NZ 2.63Å; E147-K320 PolarHBondContact OE1-NZ 2.91Å; E147-K320 IonicContact OE2-NZ 2.75Å; E147-K320 PolarHBondContact OE2-NZ 3.23Å
148	A	98.1	Very high	95	Very high	15 Å²	15	33.7 Å²	33.7	12%	0.124	17%	0.171	C	C	.	.	H	α-helix	trans	-69.6	-45	177.1	0	0	0	0	0	112.1	E146 A151 T152 K322 Y326	E146-A148 HydrophobicContact CG-CB 4.27Å; E146-A148 PolarHBondContact O-N 3.33Å; E146-A148 VanDerWaalsContact O-N 3.11Å; A148-A151 PolarHBondContact O-N 3.36Å; A148-T152 WeakPolarHBondContact O-CB 3.43Å; A148-T152 PolarHBondContact O-N 2.89Å; A148-T152 PolarHBondContact O-OG1 2.63Å; A148-K322 HydrophobicContact CB-CG 4.45Å; A148-Y326 HydrophobicContact CB-CE1 4.15Å
149	I	97.9	Very high	95.5	Very high	9 Å²	9	35 Å²	35	5%	0.046	17%	0.169	C	C	.	.	H	α-helix	trans	-63.8	-48.9	175.1	-68	176.3	0	0	0	109.8	L145 E146 A151 T152 I153 Y326 L327 K330 L331	L145-I149 HydrophobicContact CB-CG2 4.44Å; L145-I149 HydrophobicContact CD1-CG2 4.15Å; L145-I149 HydrophobicContact CD2-CG2 4.32Å; E146-I149 HydrophobicContact CG-CB 4.02Å; E146-I149 HydrophobicContact CG-CD1 3.83Å; E146-I149 HydrophobicContact CG-CG1 3.68Å; E146-I149 PolarHBondContact O-N 3.17Å; E146-I149 VanDerWaalsContact O-N 3.13Å; E146-I149 WeakPolarHBondContact OE1-CD1 3.39Å; I149-A151 PolarHBondContact O-N 3.26Å; I149-T152 PolarHBondContact O-N 3.32Å; I149-T152 VanDerWaalsContact O-N 3.14Å; I149-I153 HydrophobicContact CG2-CD1 3.58Å; I149-I153 WeakPolarHBondContact O-CG1 3.39Å; I149-I153 PolarHBondContact O-N 3.18Å; I149-Y326 HydrophobicContact CG1-CE1 3.97Å; I149-L327 HydrophobicContact CG2-CD2 4.25Å; I149-K330 HydrophobicContact CD1-CB 3.83Å; I149-K330 HydrophobicContact CG1-CB 4.46Å; I149-L331 HydrophobicContact CD1-CD2 3.95Å; I149-L331 HydrophobicContact CD1-CG 4.22Å; I149-L331 HydrophobicContact CG2-CD1 3.77Å; I149-L331 HydrophobicContact CG2-CD2 4.24Å; I149-L331 HydrophobicContact CG2-CG 4.14Å
150	I	98.6	Very high	95.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-46.2	178.3	-62.7	173.9	0	0	0	110.8	L145 E146 T152 L154 L247 A248 Y287 F291 F317	L145-I150 HydrophobicContact CB-CD1 3.98Å; L145-I150 HydrophobicContact CB-CG1 3.65Å; L145-I150 HydrophobicContact CD1-CG1 4.34Å; E146-I150 WeakPolarHBondContact O-CG1 3.43Å; E146-I150 PolarHBondContact O-N 3.32Å; I150-T152 VanDerWaalsContact C-N 3.31Å; I150-T152 PolarHBondContact O-N 2.59Å; I150-L154 HydrophobicContact CG2-CD1 3.54Å; I150-L154 HydrophobicContact CG2-CG 4.09Å; I150-L154 WeakPolarHBondContact O-CB 3.2Å; I150-L154 WeakPolarHBondContact O-CG 3.37Å; I150-L154 PolarHBondContact O-N 2.88Å; I150-L247 HydrophobicContact CD1-CB 4.46Å; I150-L247 HydrophobicContact CG1-CB 4.22Å; I150-L247 HydrophobicContact CG2-CD1 4.44Å; I150-A248 HydrophobicContact CD1-CB 4.02Å; I150-Y287 HydrophobicContact CD1-CE1 3.82Å; I150-F291 HydrophobicContact CD1-CZ 4.49Å; I150-F291 HydrophobicContact CG2-CE2 3.81Å; I150-F291 HydrophobicContact CG2-CZ 4.22Å; I150-F317 HydrophobicContact CB-CZ 4.2Å; I150-F317 HydrophobicContact CG2-CE1 4.13Å; I150-F317 HydrophobicContact CG2-CZ 3.9Å
151	A	98.7	Very high	96.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.4	-35.1	177.3	0	0	0	0	0	113	E147 A148 I149 K155 F317 F318 K320 A321	E147-A151 WeakPolarHBondContact O-CB 3.41Å; E147-A151 PolarHBondContact O-N 3.37Å; A148-A151 PolarHBondContact O-N 3.36Å; I149-A151 PolarHBondContact O-N 3.26Å; A151-K155 VanDerWaalsContact O-CB 3.27Å; A151-K155 WeakPolarHBondContact O-CB 3.49Å; A151-K155 PolarHBondContact O-N 3.39Å; A151-K155 VanDerWaalsContact O-N 3.1Å; A151-F317 HydrophobicContact CB-CD1 4.08Å; A151-F317 HydrophobicContact CB-CE1 3.63Å; A151-F317 HydrophobicContact CB-CZ 3.87Å; A151-F318 HydrophobicContact CB-CD1 4.49Å; A151-F318 WeakPolarHBondContact O-CD1 3.25Å; A151-K320 HydrophobicContact CB-CB 3.91Å; A151-A321 HydrophobicContact CB-CB 4.28Å
152	T	98.6	Very high	97	Very high	6 Å²	6	22 Å²	22	4%	0.037	11%	0.111	C	C	.	.	H	α-helix	trans	-68.2	-52.2	178.1	-51.5	0	0	0	0	110.8	A148 I149 I150 K155 E156 A321 K322 L327	A148-T152 WeakPolarHBondContact O-CB 3.43Å; A148-T152 PolarHBondContact O-N 2.89Å; A148-T152 PolarHBondContact O-OG1 2.63Å; I149-T152 PolarHBondContact O-N 3.32Å; I149-T152 VanDerWaalsContact O-N 3.14Å; I150-T152 VanDerWaalsContact C-N 3.31Å; I150-T152 PolarHBondContact O-N 2.59Å; T152-K155 PolarHBondContact O-N 3.48Å; T152-E156 PolarHBondContact O-N 2.91Å; T152-A321 WeakPolarHBondContact OG1-CA 3.36Å; T152-K322 WeakPolarHBondContact CG2-O 3.16Å; T152-K322 PolarHBondContact OG1-N 3.41Å; T152-L327 HydrophobicContact CG2-CD1 3.89Å; T152-L327 HydrophobicContact CG2-CD2 4.05Å; T152-L327 HydrophobicContact CG2-CG 3.92Å
153	I	98.6	Very high	97.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.7	-50.1	179.8	-64.5	160.1	0	0	0	110.9	M127 L145 I149 K155 E156 V157 I179 V187 L247 L327 L331	M127-I153 HydrophobicContact CE-CD1 3.56Å; M127-I153 HydrophobicContact CG-CD1 4.49Å; M127-I153 HydrophobicContact CG-CG2 4.32Å; M127-I153 HydrophobicContact SD-CD1 3.62Å; M127-I153 HydrophobicContact SD-CG1 4.43Å; L145-I153 HydrophobicContact CD1-CD1 4.49Å; I149-I153 HydrophobicContact CG2-CD1 3.58Å; I149-I153 WeakPolarHBondContact O-CG1 3.39Å; I149-I153 PolarHBondContact O-N 3.18Å; I153-K155 VanDerWaalsContact C-N 3.29Å; I153-K155 PolarHBondContact O-N 3.28Å; I153-E156 PolarHBondContact O-N 2.8Å; I153-V157 HydrophobicContact CG2-CG2 4.47Å; I153-V157 WeakPolarHBondContact O-CG2 3.34Å; I153-V157 PolarHBondContact O-N 3.42Å; I153-I179 HydrophobicContact CG2-CG2 3.88Å; I153-V187 HydrophobicContact CG2-CG1 3.98Å; I153-L247 HydrophobicContact CG2-CD1 4.46Å; I153-L327 HydrophobicContact CG1-CD1 4.31Å; I153-L327 HydrophobicContact CG1-CD2 4.2Å; I153-L331 HydrophobicContact CD1-CD1 4.06Å
154	L	98.8	Very high	97.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-70.5	-22.3	-175.6	-69.6	-175.6	0	0	0	113.4	I150 L158 F240 A244 L247 F318	I150-L154 HydrophobicContact CG2-CD1 3.54Å; I150-L154 HydrophobicContact CG2-CG 4.09Å; I150-L154 WeakPolarHBondContact O-CB 3.2Å; I150-L154 WeakPolarHBondContact O-CG 3.37Å; I150-L154 PolarHBondContact O-N 2.88Å; L154-L158 WeakPolarHBondContact O-CG 3.43Å; L154-L158 PolarHBondContact O-N 3.28Å; L154-F240 HydrophobicContact CB-CE2 3.96Å; L154-F240 HydrophobicContact CB-CZ 3.81Å; L154-F240 HydrophobicContact CD1-CZ 4.14Å; L154-F240 HydrophobicContact CD2-CD2 4.33Å; L154-F240 HydrophobicContact CD2-CE2 3.75Å; L154-F240 HydrophobicContact CD2-CZ 4.16Å; L154-F240 HydrophobicContact CG-CE2 4.3Å; L154-F240 HydrophobicContact CG-CZ 4.27Å; L154-A244 HydrophobicContact CD1-CB 3.59Å; L154-L247 HydrophobicContact CD1-CD1 4.27Å; L154-L247 HydrophobicContact CD2-CD1 3.6Å; L154-L247 HydrophobicContact CG-CD1 3.8Å; L154-F318 HydrophobicContact CB-CE1 3.94Å; L154-F318 HydrophobicContact CB-CZ 4.47Å
155	K	98.8	Very high	97.6	Very high	63 Å²	63	17.9 Å²	17.9	27%	0.274	9%	0.086	S	C	.	.	H	α-helix	trans	-62.9	-55.1	169.6	179.5	-167	166.7	-65.5	0	109.6	A151 T152 I153 V157 L158 E159 L313 F318 A321	A151-K155 VanDerWaalsContact O-CB 3.27Å; A151-K155 WeakPolarHBondContact O-CB 3.49Å; A151-K155 PolarHBondContact O-N 3.39Å; A151-K155 VanDerWaalsContact O-N 3.1Å; T152-K155 PolarHBondContact O-N 3.48Å; I153-K155 VanDerWaalsContact C-N 3.29Å; I153-K155 PolarHBondContact O-N 3.28Å; K155-V157 VanDerWaalsContact C-N 3.26Å; K155-V157 PolarHBondContact O-N 3.36Å; K155-L158 WeakPolarHBondContact O-CA 3.4Å; K155-L158 WeakPolarHBondContact O-CB 3.46Å; K155-L158 PolarHBondContact O-N 3.46Å; K155-E159 WeakPolarHBondContact CE-OE1 3.36Å; K155-E159 IonicContact NZ-OE1 3.71Å; K155-E159 PolarHBondContact NZ-OE1 3.27Å; K155-E159 WeakPolarHBondContact O-CG 3.47Å; K155-E159 PolarHBondContact O-N 3.3Å; K155-L313 HydrophobicContact CG-CD2 3.72Å; K155-F318 HydrophobicContact CB-CD1 3.86Å; K155-F318 HydrophobicContact CB-CE1 4.32Å; K155-A321 HydrophobicContact CD-CB 4.4Å
156	E	98.5	Very high	97.4	Very high	36 Å²	36	25.3 Å²	25.3	17%	0.168	11%	0.113	C	C	.	.	H	α-helix	trans	-60.2	-35.9	-178.7	-61.6	-59.1	105.7	0	0	112.1	N101 T152 I153 E159 G160 V187	N101-E156 VanDerWaalsContact CB-O 3.24Å; N101-E156 WeakPolarHBondContact CB-O 3.35Å; N101-E156 WeakPolarHBondContact ND2-CB 3.33Å; N101-E156 PolarHBondContact ND2-OE2 2.96Å; T152-E156 PolarHBondContact O-N 2.91Å; I153-E156 PolarHBondContact O-N 2.8Å; E156-E159 PolarHBondContact O-N 3.09Å; E156-G160 PolarHBondContact O-N 2.82Å; E156-G160 VanDerWaalsContact O-N 3.09Å; E156-V187 HydrophobicContact CB-CB 3.71Å; E156-V187 HydrophobicContact CB-CG1 4.05Å; E156-V187 HydrophobicContact CB-CG2 4.29Å; E156-V187 HydrophobicContact CG-CB 4.17Å; E156-V187 HydrophobicContact CG-CG2 4.28Å
157	V	98.6	Very high	97.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-62.7	-40.3	169.9	173.6	0	0	0	0	111.9	I153 K155 G160 L161 L174 I179 V187 I189 F240	I153-V157 HydrophobicContact CG2-CG2 4.47Å; I153-V157 WeakPolarHBondContact O-CG2 3.34Å; I153-V157 PolarHBondContact O-N 3.42Å; K155-V157 VanDerWaalsContact C-N 3.26Å; K155-V157 PolarHBondContact O-N 3.36Å; V157-G160 PolarHBondContact O-N 3.08Å; V157-L161 HydrophobicContact CG1-CD1 4.11Å; V157-L161 HydrophobicContact CG1-CG 4.37Å; V157-L161 WeakPolarHBondContact O-CG 2.92Å; V157-L161 PolarHBondContact O-N 3.39Å; V157-L174 HydrophobicContact CG1-CD1 4.13Å; V157-L174 HydrophobicContact CG1-CD2 4.33Å; V157-I179 HydrophobicContact CG2-CD1 3.78Å; V157-I179 HydrophobicContact CG2-CG1 3.95Å; V157-I179 HydrophobicContact CG2-CG2 4.1Å; V157-V187 HydrophobicContact CG2-CG1 4.28Å; V157-I189 HydrophobicContact CG1-CD1 4.03Å; V157-I189 HydrophobicContact CG1-CG1 4.31Å; V157-I189 HydrophobicContact CG2-CG1 4.46Å; V157-F240 HydrophobicContact CB-CE2 4.39Å; V157-F240 HydrophobicContact CG1-CD2 3.94Å; V157-F240 HydrophobicContact CG1-CE2 4.05Å
158	L	98.8	Very high	96.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.7	-35	175.4	-72.2	175.9	0	0	0	113.2	L154 K155 G160 L161 D162 M237 F240 A309 L312 L313 F318	L154-L158 WeakPolarHBondContact O-CG 3.43Å; L154-L158 PolarHBondContact O-N 3.28Å; K155-L158 WeakPolarHBondContact O-CA 3.4Å; K155-L158 WeakPolarHBondContact O-CB 3.46Å; K155-L158 PolarHBondContact O-N 3.46Å; L158-G160 VanDerWaalsContact C-N 3.28Å; L158-G160 PolarHBondContact O-N 3.25Å; L158-L161 HydrophobicContact CD2-CD1 4.29Å; L158-L161 PolarHBondContact O-N 2.7Å; L158-D162 WeakPolarHBondContact O-CB 3.38Å; L158-D162 PolarHBondContact O-N 2.84Å; L158-M237 HydrophobicContact CD2-CE 3.93Å; L158-F240 HydrophobicContact CD1-CE1 4.35Å; L158-F240 HydrophobicContact CD1-CE2 4.28Å; L158-F240 HydrophobicContact CD1-CZ 3.74Å; L158-F240 HydrophobicContact CD2-CD1 4.37Å; L158-F240 HydrophobicContact CD2-CD2 3.91Å; L158-F240 HydrophobicContact CD2-CE1 4.08Å; L158-F240 HydrophobicContact CD2-CE2 3.57Å; L158-F240 HydrophobicContact CD2-CG 4.3Å; L158-F240 HydrophobicContact CD2-CZ 3.66Å; L158-F240 HydrophobicContact CG-CD2 4.35Å; L158-F240 HydrophobicContact CG-CE1 4.34Å; L158-F240 HydrophobicContact CG-CE2 3.53Å; L158-F240 HydrophobicContact CG-CZ 3.52Å; L158-A309 HydrophobicContact CD2-CB 4.04Å; L158-L312 HydrophobicContact CD1-CB 4.01Å; L158-L312 HydrophobicContact CD1-CD2 4.16Å; L158-L312 HydrophobicContact CD1-CG 3.92Å; L158-L312 HydrophobicContact CD2-CB 4.49Å; L158-L312 HydrophobicContact CD2-CD2 4.11Å; L158-L313 HydrophobicContact CB-CD1 4.2Å; L158-L313 HydrophobicContact CB-CD2 3.68Å; L158-L313 HydrophobicContact CB-CG 3.68Å; L158-L313 HydrophobicContact CD1-CD2 4.16Å; L158-L313 HydrophobicContact CD1-CG 4.05Å; L158-F318 HydrophobicContact CD1-CD2 4.48Å; L158-F318 HydrophobicContact CD1-CE1 4.22Å; L158-F318 HydrophobicContact CD1-CE2 3.54Å; L158-F318 HydrophobicContact CD1-CZ 3.38Å; L158-F318 HydrophobicContact CG-CZ 4.48Å
159	E	98.6	Very high	95.9	Very high	57 Å²	57	28.9 Å²	28.9	27%	0.266	15%	0.148	S	C	.	.	H	α-helix	trans	-61.8	-40.9	172.5	-50.1	-72.5	-175	0	0	110.2	H99 K155 E156 Y163 L313	H99-E159 PolarHBondContact CE1-O 2.95Å; K155-E159 WeakPolarHBondContact CE-OE1 3.36Å; K155-E159 IonicContact NZ-OE1 3.71Å; K155-E159 PolarHBondContact NZ-OE1 3.27Å; K155-E159 WeakPolarHBondContact O-CG 3.47Å; K155-E159 PolarHBondContact O-N 3.3Å; E156-E159 PolarHBondContact O-N 3.09Å; E159-Y163 PolarHBondContact O-N 3.37Å; E159-Y163 VanDerWaalsContact O-N 3.09Å; E159-L313 HydrophobicContact CG-CD2 4.46Å; E159-L313 WeakPolarHBondContact OE2-CD1 3.49Å
160	G	97.8	Very high	95.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-43.9	175	0	0	0	0	0	114.1	E156 V157 L158 Y163 L164	E156-G160 PolarHBondContact O-N 2.82Å; E156-G160 VanDerWaalsContact O-N 3.09Å; V157-G160 PolarHBondContact O-N 3.08Å; L158-G160 VanDerWaalsContact C-N 3.28Å; L158-G160 PolarHBondContact O-N 3.25Å; G160-Y163 PolarHBondContact O-N 3.41Å; G160-L164 WeakPolarHBondContact O-CG 3.21Å; G160-L164 PolarHBondContact O-N 3.26Å; G160-L164 VanDerWaalsContact O-N 3.12Å
161	L	97.7	Very high	94.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.9	-43.3	175	-71.4	173.7	0	0	0	111.8	V157 L158 Y163 L164 H165 H171 L174 I189 D236 F240 A309	V157-L161 HydrophobicContact CG1-CD1 4.11Å; V157-L161 HydrophobicContact CG1-CG 4.37Å; V157-L161 WeakPolarHBondContact O-CG 2.92Å; V157-L161 PolarHBondContact O-N 3.39Å; L158-L161 HydrophobicContact CD2-CD1 4.29Å; L158-L161 PolarHBondContact O-N 2.7Å; L161-Y163 VanDerWaalsContact C-N 3.28Å; L161-Y163 PolarHBondContact O-N 3.17Å; L161-L164 PolarHBondContact O-N 3.1Å; L161-L164 VanDerWaalsContact O-N 3.1Å; L161-H165 WeakPolarHBondContact O-CB 3.08Å; L161-H165 PolarHBondContact O-CD2 3.41Å; L161-H165 VanDerWaalsContact O-CD2 3.28Å; L161-H165 PolarHBondContact O-N 3.43Å; L161-H171 HydrophobicContact CD2-CB 4.09Å; L161-L174 HydrophobicContact CD1-CD2 3.75Å; L161-L174 HydrophobicContact CD2-CD2 4.27Å; L161-L174 HydrophobicContact CG-CD2 4.48Å; L161-I189 HydrophobicContact CD2-CD1 4.16Å; L161-I189 HydrophobicContact CG-CD1 4Å; L161-D236 HydrophobicContact CD2-CB 4.12Å; L161-F240 HydrophobicContact CD1-CB 4.41Å; L161-F240 HydrophobicContact CD1-CD2 4.01Å; L161-A309 HydrophobicContact CB-CB 4.25Å
162	D	98.1	Very high	94.3	Very high	22 Å²	22	33.1 Å²	33.1	12%	0.118	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-39.3	177.7	-174.6	68.5	0	0	0	111.9	L158 R166 A309 A310	L158-D162 WeakPolarHBondContact O-CB 3.38Å; L158-D162 PolarHBondContact O-N 2.84Å; D162-R166 VanDerWaalsContact O-CB 3.32Å; D162-R166 WeakPolarHBondContact O-CB 3.48Å; D162-R166 WeakPolarHBondContact O-CG 3.36Å; D162-R166 PolarHBondContact O-N 2.85Å; D162-R166 PolarHBondContact O-NE 2.85Å; D162-R166 IonicContact OD1-NE 2.72Å; D162-R166 IonicContact OD2-CZ 2.75Å; D162-R166 IonicContact OD2-NE 2.71Å; D162-R166 PolarHBondContact OD2-NE 2.84Å; D162-R166 IonicContact OD2-NH2 3.15Å; D162-R166 PolarHBondContact OD2-NH2 3.25Å; D162-A309 HydrophobicContact CB-CB 3.72Å; D162-A310 VanDerWaalsContact OD1-CB 3.28Å; D162-A310 WeakPolarHBondContact OD1-CB 3.38Å; D162-A310 PolarHBondContact OD1-N 3.04Å
163	Y	96.8	Very high	93.7	Very high	33 Å²	33	33.3 Å²	33.3	13%	0.129	17%	0.166	C	C	.	.	H	α-helix	trans	-59.6	-50.7	170.2	174.3	-89.3	0	0	0	112.1	C97 S98 H99 E159 G160 L161 N167	C97-Y163 HydrophobicContact CB-CE1 4.1Å; S98-Y163 PolarHBondContact N-OH 2.79Å; H99-Y163 HydrophobicContact CB-CD1 3.71Å; H99-Y163 HydrophobicContact CB-CD2 3.91Å; H99-Y163 HydrophobicContact CB-CE1 4.02Å; H99-Y163 HydrophobicContact CB-CE2 4.19Å; H99-Y163 HydrophobicContact CB-CG 3.66Å; H99-Y163 AromaticContact CD2-CD2 3.42Å; H99-Y163 VanDerWaalsContact CD2-CD2 3.42Å; H99-Y163 WeakPolarHBondContact CD2-CD2 3.37Å; H99-Y163 AromaticContact CD2-CG 3.58Å; H99-Y163 AromaticContact CG-CD2 3.83Å; H99-Y163 AromaticContact CG-CG 3.58Å; E159-Y163 PolarHBondContact O-N 3.37Å; E159-Y163 VanDerWaalsContact O-N 3.09Å; G160-Y163 PolarHBondContact O-N 3.41Å; L161-Y163 VanDerWaalsContact C-N 3.28Å; L161-Y163 PolarHBondContact O-N 3.17Å; Y163-N167 WeakPolarHBondContact CE2-ND2 3.4Å; Y163-N167 PolarHBondContact O-N 3.1Å; Y163-N167 PolarHBondContact O-ND2 2.89Å
164	L	92.8	Very high	93.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-47.9	-179.9	-70.7	173.4	0	0	0	111.3	V102 G160 L161 R166 N167 G168 Q169 H171 F192	V102-L164 HydrophobicContact CG2-CD1 4.44Å; V102-L164 HydrophobicContact CG2-CG 4.3Å; G160-L164 WeakPolarHBondContact O-CG 3.21Å; G160-L164 PolarHBondContact O-N 3.26Å; G160-L164 VanDerWaalsContact O-N 3.12Å; L161-L164 PolarHBondContact O-N 3.1Å; L161-L164 VanDerWaalsContact O-N 3.1Å; L164-R166 PolarHBondContact O-N 3.15Å; L164-N167 CarbonylContact O-C 3.52Å; L164-N167 WeakPolarHBondContact O-CA 3.43Å; L164-N167 PolarHBondContact O-N 2.95Å; L164-G168 PolarHBondContact O-N 2.85Å; L164-Q169 CarbonylContact C-O 3.4Å; L164-Q169 HydrophobicContact CB-CB 4.08Å; L164-Q169 HydrophobicContact CD2-CB 4.05Å; L164-Q169 WeakPolarHBondContact O-CB 3.24Å; L164-Q169 PolarHBondContact O-N 3.31Å; L164-H171 HydrophobicContact CD1-CB 4.41Å; L164-F192 HydrophobicContact CD1-CD2 4.34Å; L164-F192 HydrophobicContact CD2-CD1 4.16Å; L164-F192 HydrophobicContact CD2-CD2 4.24Å; L164-F192 HydrophobicContact CD2-CE1 3.98Å; L164-F192 HydrophobicContact CD2-CE2 4.11Å; L164-F192 HydrophobicContact CD2-CG 4.3Å; L164-F192 HydrophobicContact CD2-CZ 3.98Å
165	H	93.4	Very high	93.2	Very high	20 Å²	20	35.1 Å²	35.1	9%	0.093	17%	0.174	C	C	.	.	H	α-helix	trans	-64.8	-39.7	-176.5	-61.8	178.7	0	0	0	111.9	L161 N167 G168 Q169 F233 D236	L161-H165 WeakPolarHBondContact O-CB 3.08Å; L161-H165 PolarHBondContact O-CD2 3.41Å; L161-H165 VanDerWaalsContact O-CD2 3.28Å; L161-H165 PolarHBondContact O-N 3.43Å; H165-N167 VanDerWaalsContact C-N 3.25Å; H165-N167 PolarHBondContact O-N 2.88Å; H165-G168 PolarHBondContact O-N 3.04Å; H165-G168 VanDerWaalsContact O-N 3.11Å; H165-Q169 PolarHBondContact CD2-O 3.49Å; H165-F233 HydrophobicContact CB-CB 4.27Å; H165-F233 HydrophobicContact CB-CD2 4.04Å; H165-F233 HydrophobicContact CB-CG 4.19Å; H165-F233 PolarHBondContact CE1-O 3.23Å; H165-F233 AromaticContact CG-CD2 3.77Å; H165-F233 AromaticContact CG-CG 4Å; H165-F233 AromaticContact ND1-CD2 3.46Å; H165-F233 WeakPolarHBondContact ND1-CD2 3.46Å; H165-D236 IonicContact CD2-OD2 3.83Å; H165-D236 IonicContact CE1-OD2 2.71Å; H165-D236 IonicContact NE2-OD2 2.83Å; H165-D236 PolarHBondContact NE2-OD2 2.78Å
166	R	93.5	Very high	93	Very high	161 Å²	161	32.1 Å²	32.1	61%	0.608	16%	0.161	S	C	*	.	H	α-helix	trans	-65.8	-24.9	172.9	-78.6	-171.4	-77.7	111.9	-2.4	113.9	D162 L164 G168	D162-R166 VanDerWaalsContact O-CB 3.32Å; D162-R166 WeakPolarHBondContact O-CB 3.48Å; D162-R166 WeakPolarHBondContact O-CG 3.36Å; D162-R166 PolarHBondContact O-N 2.85Å; D162-R166 PolarHBondContact O-NE 2.85Å; D162-R166 IonicContact OD1-NE 2.72Å; D162-R166 IonicContact OD2-CZ 2.75Å; D162-R166 IonicContact OD2-NE 2.71Å; D162-R166 PolarHBondContact OD2-NE 2.84Å; D162-R166 IonicContact OD2-NH2 3.15Å; D162-R166 PolarHBondContact OD2-NH2 3.25Å; L164-R166 PolarHBondContact O-N 3.15Å; R166-G168 VanDerWaalsContact C-N 3.33Å
167	N	88.8	Confident	92.6	Very high	84 Å²	84	31.2 Å²	31.2	45%	0.449	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	13.2	173.9	-70.7	-74.2	0	0	0	113	Y163 L164 H165 Q169	Y163-N167 WeakPolarHBondContact CE2-ND2 3.4Å; Y163-N167 PolarHBondContact O-N 3.1Å; Y163-N167 PolarHBondContact O-ND2 2.89Å; L164-N167 CarbonylContact O-C 3.52Å; L164-N167 WeakPolarHBondContact O-CA 3.43Å; L164-N167 PolarHBondContact O-N 2.95Å; H165-N167 VanDerWaalsContact C-N 3.25Å; H165-N167 PolarHBondContact O-N 2.88Å; N167-Q169 HydrophobicContact CB-CG 4.41Å; N167-Q169 PolarHBondContact O-N 2.84Å
168	G	84.3	Confident	92.4	Very high	66 Å²	66	31.7 Å²	31.7	68%	0.68	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	12.4	178.6	0	0	0	0	0	114.8	L164 H165 R166	L164-G168 PolarHBondContact O-N 2.85Å; H165-G168 PolarHBondContact O-N 3.04Å; H165-G168 VanDerWaalsContact O-N 3.11Å; R166-G168 VanDerWaalsContact C-N 3.33Å
169	Q	85.8	Confident	92.3	Very high	49 Å²	49	31.7 Å²	31.7	23%	0.229	16%	0.163	C	C	.	.			trans	-92.4	154.3	-179.6	-56.9	-57.8	-33.4	0	0	111.5	L164 H165 N167 F192	L164-Q169 CarbonylContact C-O 3.4Å; L164-Q169 HydrophobicContact CB-CB 4.08Å; L164-Q169 HydrophobicContact CD2-CB 4.05Å; L164-Q169 WeakPolarHBondContact O-CB 3.24Å; L164-Q169 PolarHBondContact O-N 3.31Å; H165-Q169 PolarHBondContact CD2-O 3.49Å; N167-Q169 HydrophobicContact CB-CG 4.41Å; N167-Q169 PolarHBondContact O-N 2.84Å; Q169-F192 HydrophobicContact CB-CE2 3.88Å; Q169-F192 HydrophobicContact CB-CZ 3.81Å; Q169-F192 HydrophobicContact CG-CE2 4.39Å; Q169-F192 HydrophobicContact CG-CZ 3.81Å
170	I	86.9	Confident	92.1	Very high	31 Å²	31	30.9 Å²	30.9	16%	0.159	16%	0.16	C	C	.	.			trans	-128	135.4	176.4	-51.6	173.8	0	0	0	107.7	R172 Y231 F233 D236	I170-R172 HydrophobicContact CB-CG 4.22Å; I170-R172 HydrophobicContact CG2-CG 3.9Å; I170-Y231 HydrophobicContact CD1-CD2 4.49Å; I170-Y231 HydrophobicContact CD1-CE2 4.46Å; I170-Y231 HydrophobicContact CG2-CE2 4.14Å; I170-F233 HydrophobicContact CG1-CB 4.24Å; I170-D236 WeakPolarHBondContact CG2-OD2 3.12Å
171	H	89.8	Confident	92	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.			trans	-77.1	-36.1	-178	-165.1	-87.2	0	0	0	113.2	L161 L164 D173 L174 I189 A190 F192 A196 D236	L161-H171 HydrophobicContact CD2-CB 4.09Å; L164-H171 HydrophobicContact CD1-CB 4.41Å; H171-D173 PolarHBondContact CE1-O 3.28Å; H171-D173 PolarHBondContact ND1-O 2.78Å; H171-D173 PolarHBondContact O-N 3.25Å; H171-L174 PolarHBondContact ND1-N 2.83Å; H171-I189 VanDerWaalsContact NE2-CG2 3.28Å; H171-I189 WeakPolarHBondContact NE2-CG2 3.32Å; H171-A190 PolarHBondContact CE1-O 2.91Å; H171-A190 VanDerWaalsContact CE1-O 3.25Å; H171-A190 PolarHBondContact NE2-O 3.36Å; H171-F192 PolarHBondContact NE2-N 2.83Å; H171-A196 WeakPolarHBondContact O-CB 3.27Å; H171-D236 PolarHBondContact N-OD1 2.84Å; H171-D236 PolarHBondContact N-OD2 3.42Å
172	R	85.6	Confident	91.8	Very high	66 Å²	66	31 Å²	31	25%	0.249	16%	0.162	C	C	.	.			trans	65.3	-36.3	176.1	-43.5	177.1	175.5	135.6	-2.8	116.6	E90 I170 A196 T200 Y231 D236	E90-R172 IonicContact OE1-CZ 3.67Å; E90-R172 IonicContact OE1-NH1 2.75Å; E90-R172 PolarHBondContact OE1-NH1 3.01Å; E90-R172 IonicContact OE1-NH2 2.93Å; E90-R172 PolarHBondContact OE1-NH2 3.22Å; E90-R172 IonicContact OE2-NH1 2.66Å; I170-R172 HydrophobicContact CB-CG 4.22Å; I170-R172 HydrophobicContact CG2-CG 3.9Å; R172-A196 HydrophobicContact CB-CB 4.2Å; R172-T200 HydrophobicContact CB-CG2 3.83Å; R172-Y231 WeakPolarHBondContact CD-OH 3.42Å; R172-Y231 HydrophobicContact CG-CE2 4.32Å; R172-Y231 WeakPolarHBondContact CG-OH 3.41Å; R172-D236 PolarHBondContact N-OD1 3.29Å
173	D	85.6	Confident	91.4	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.053	19%	0.188	C	C	.	.			trans	-124	56.9	-177.9	-172	45.4	0	0	0	112	H171 K175 N178 A199 T216	H171-D173 PolarHBondContact CE1-O 3.28Å; H171-D173 PolarHBondContact ND1-O 2.78Å; H171-D173 PolarHBondContact O-N 3.25Å; D173-K175 IonicContact OD1-NZ 2.73Å; D173-K175 PolarHBondContact OD1-NZ 2.99Å; D173-K175 WeakPolarHBondContact OD2-CE 3.39Å; D173-K175 IonicContact OD2-NZ 2.66Å; D173-K175 PolarHBondContact OD2-NZ 3.29Å; D173-N178 PolarHBondContact O-ND2 3.32Å; D173-N178 PolarHBondContact OD2-ND2 2.87Å; D173-A199 HydrophobicContact CB-CB 4.34Å; D173-T216 PolarHBondContact OD1-OG1 3.08Å
174	L	93.9	Very high	91.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.			trans	-85.6	120.4	177.7	-176.5	69.4	0	0	0	111.7	V157 L161 H171 I189 W219 F240 T243	V157-L174 HydrophobicContact CG1-CD1 4.13Å; V157-L174 HydrophobicContact CG1-CD2 4.33Å; L161-L174 HydrophobicContact CD1-CD2 3.75Å; L161-L174 HydrophobicContact CD2-CD2 4.27Å; L161-L174 HydrophobicContact CG-CD2 4.48Å; H171-L174 PolarHBondContact ND1-N 2.83Å; L174-I189 HydrophobicContact CD1-CG2 3.94Å; L174-W219 VanDerWaalsContact O-CD1 3.3Å; L174-F240 HydrophobicContact CD2-CB 3.8Å; L174-F240 HydrophobicContact CD2-CD2 4.3Å; L174-T243 PolarHBondContact O-OG1 2.66Å
175	K	93.1	Very high	91.3	Very high	39 Å²	39	38.7 Å²	38.7	17%	0.17	20%	0.201	C	C	.	.	S	Bend	trans	-159.4	164.7	-178.6	63.4	-158.1	-177.2	-152.7	0	110.6	D173 G177 N178 I179 T216 W219 T243	D173-K175 IonicContact OD1-NZ 2.73Å; D173-K175 PolarHBondContact OD1-NZ 2.99Å; D173-K175 WeakPolarHBondContact OD2-CE 3.39Å; D173-K175 IonicContact OD2-NZ 2.66Å; D173-K175 PolarHBondContact OD2-NZ 3.29Å; K175-G177 PolarHBondContact O-N 3.42Å; K175-G177 VanDerWaalsContact O-N 3.16Å; K175-N178 WeakPolarHBondContact CE-OD1 3.3Å; K175-N178 HydrophobicContact CG-CB 4.24Å; K175-N178 PolarHBondContact O-N 3.34Å; K175-I179 PolarHBondContact O-N 3.04Å; K175-T216 HydrophobicContact CD-CG2 4.01Å; K175-T216 PolarHBondContact NZ-OG1 2.9Å; K175-W219 HydrophobicContact CB-CD2 4.18Å; K175-W219 HydrophobicContact CB-CG 4.1Å; K175-W219 HydrophobicContact CB-CZ2 4.4Å; K175-T243 WeakPolarHBondContact CA-OG1 3.36Å
176	A	94.6	Very high	91.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-63.8	-22.8	-178.4	0	0	0	0	0	113.8	M127 L128 I131 N178 I179 T243 E246 L247	M127-A176 HydrophobicContact CB-CB 3.93Å; M127-A176 WeakPolarHBondContact CB-O 3.48Å; M127-A176 PolarHBondContact N-O 3.06Å; L128-A176 HydrophobicContact CB-CB 4.47Å; L128-A176 PolarHBondContact N-O 3.46Å; L128-A176 VanDerWaalsContact N-O 3.13Å; I131-A176 HydrophobicContact CD1-CB 3.87Å; A176-N178 PolarHBondContact O-N 2.93Å; A176-I179 PolarHBondContact O-N 3.28Å; A176-T243 HydrophobicContact CB-CG2 4.43Å; A176-E246 HydrophobicContact CB-CG 3.99Å; A176-E246 VanDerWaalsContact CB-OE1 3.32Å; A176-E246 WeakPolarHBondContact CB-OE1 3.48Å; A176-E246 WeakPolarHBondContact CB-OE2 3.48Å; A176-E246 PolarHBondContact N-OE1 3.42Å; A176-E246 PolarHBondContact N-OE2 2.89Å; A176-L247 HydrophobicContact CB-CD2 4.18Å
177	G	90.7	Very high	91.6	Very high	16 Å²	16	30.2 Å²	30.2	17%	0.165	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-64.5	-26.2	170.5	0	0	0	0	0	113.9	S126 K175	S126-G177 VanDerWaalsContact CB-O 3.27Å; S126-G177 WeakPolarHBondContact CB-O 3.43Å; K175-G177 PolarHBondContact O-N 3.42Å; K175-G177 VanDerWaalsContact O-N 3.16Å
178	N	93.7	Very high	92	Very high	12 Å²	12	26.5 Å²	26.5	6%	0.064	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-103.9	10.3	-177.7	-63	5.2	0	0	0	112	D173 K175 A176 A190	D173-N178 PolarHBondContact O-ND2 3.32Å; D173-N178 PolarHBondContact OD2-ND2 2.87Å; K175-N178 WeakPolarHBondContact CE-OD1 3.3Å; K175-N178 HydrophobicContact CG-CB 4.24Å; K175-N178 PolarHBondContact O-N 3.34Å; A176-N178 PolarHBondContact O-N 2.93Å; N178-A190 PolarHBondContact O-N 3.47Å
179	I	97.1	Very high	92.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.2	168	-60.3	169.2	0	0	0	107.1	S126 M127 I153 V157 K175 A176 V187 T243	S126-I179 CarbonylContact C-O 3.43Å; S126-I179 WeakPolarHBondContact CA-O 3.47Å; M127-I179 HydrophobicContact CB-CB 4.36Å; M127-I179 HydrophobicContact CG-CB 3.99Å; M127-I179 HydrophobicContact CG-CG2 3.7Å; M127-I179 PolarHBondContact N-O 3.45Å; I153-I179 HydrophobicContact CG2-CG2 3.88Å; V157-I179 HydrophobicContact CG2-CD1 3.78Å; V157-I179 HydrophobicContact CG2-CG1 3.95Å; V157-I179 HydrophobicContact CG2-CG2 4.1Å; K175-I179 PolarHBondContact O-N 3.04Å; A176-I179 PolarHBondContact O-N 3.28Å; I179-V187 HydrophobicContact CG2-CG1 3.76Å; I179-T243 HydrophobicContact CD1-CG2 3.61Å
180	L	95.4	Very high	92.8	Very high	39 Å²	39	21.4 Å²	21.4	20%	0.204	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	149.1	-176.7	-58.1	-172.1	0	0	0	111.9	V103 L122 G125 Q188 A190	V103-L180 HydrophobicContact CG2-CD1 4.28Å; L122-L180 HydrophobicContact CB-CB 4.17Å; L122-L180 HydrophobicContact CD1-CB 3.6Å; L122-L180 HydrophobicContact CD1-CD1 4.2Å; G125-L180 WeakPolarHBondContact O-CA 3.31Å; L180-Q188 PolarHBondContact N-O 3.33Å; L180-Q188 PolarHBondContact O-N 3.21Å; L180-A190 HydrophobicContact CD1-CB 3.63Å; L180-A190 HydrophobicContact CG-CB 3.8Å
181	L	94.8	Very high	92.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.1	177.4	-60.8	-172.9	0	0	0	112.6	L122 G124 G125 M127 I130 S186 V187 L331 L332	L122-L181 CarbonylContact C-O 3.54Å; G124-L181 VanDerWaalsContact CA-O 3.23Å; G124-L181 WeakPolarHBondContact CA-O 3.3Å; G124-L181 PolarHBondContact N-O 3.24Å; G125-L181 PolarHBondContact O-N 3.24Å; M127-L181 HydrophobicContact SD-CD1 3.79Å; M127-L181 HydrophobicContact SD-CD2 4.16Å; M127-L181 HydrophobicContact SD-CG 4.01Å; I130-L181 HydrophobicContact CD1-CD1 3.56Å; L181-S186 WeakPolarHBondContact CA-O 3.42Å; L181-V187 HydrophobicContact CD2-CB 4.33Å; L181-V187 HydrophobicContact CD2-CG1 4.39Å; L181-V187 HydrophobicContact CD2-CG2 3.74Å; L181-L331 HydrophobicContact CD1-CD1 4.25Å; L181-L332 HydrophobicContact CB-CD2 4.19Å; L181-L332 HydrophobicContact CD1-CD2 3.79Å
182	G	93	Very high	91.9	Very high	3 Å²	3	22.6 Å²	22.6	3%	0.031	12%	0.115	C	C	.	.			trans	-78.4	157.3	164.2	0	0	0	0	0	112.1	D184 G185 S186 L332	G182-D184 PolarHBondContact O-N 2.92Å; G182-G185 PolarHBondContact O-N 2.87Å; G182-S186 PolarHBondContact N-O 3.17Å; G182-L332 WeakPolarHBondContact O-CD1 3.27Å
183	E	90.7	Very high	91.4	Very high	141 Å²	141	19.5 Å²	19.5	66%	0.659	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.3	172.6	-64.6	171	-149.4	0	0	112.2	S123 G185	S123-E183 WeakPolarHBondContact CB-OE1 3.45Å; S123-E183 PolarHBondContact OG-OE1 2.9Å; E183-G185 PolarHBondContact O-N 2.93Å
184	D	92.4	Very high	90.6	Very high	74 Å²	74	19.1 Å²	19.1	40%	0.396	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	5.6	174	78.1	-48.2	0	0	0	113.9	G182 S186 R324	G182-D184 PolarHBondContact O-N 2.92Å; D184-S186 PolarHBondContact O-N 2.98Å; D184-S186 WeakPolarHBondContact OD1-CB 3.11Å; D184-S186 PolarHBondContact OD1-N 3.14Å; D184-S186 VanDerWaalsContact OD1-N 3.08Å; D184-S186 PolarHBondContact OD1-OG 2.91Å; D184-S186 WeakPolarHBondContact OD2-CB 3.4Å; D184-R324 WeakPolarHBondContact O-CB 3.49Å; D184-R324 WeakPolarHBondContact O-CD 3.29Å; D184-R324 IonicContact OD2-CZ 3.86Å; D184-R324 IonicContact OD2-NH1 3.78Å; D184-R324 PolarHBondContact OD2-NH1 2.79Å
185	G	93.9	Very high	89.1	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.01	11%	0.105	C	C	.	.	S	Bend	trans	70.2	14.6	-173.6	0	0	0	0	0	114.3	G182 E183 R324	G182-G185 PolarHBondContact O-N 2.87Å; E183-G185 PolarHBondContact O-N 2.93Å; G185-R324 WeakPolarHBondContact O-CG 3.41Å
186	S	96.3	Very high	87.7	Confident	2 Å²	2	17.9 Å²	17.9	1%	0.014	10%	0.097	C	C	.	.			trans	-68.7	147.1	169.9	61.1	0	0	0	0	111.4	L181 G182 D184 Q188	L181-S186 WeakPolarHBondContact CA-O 3.42Å; G182-S186 PolarHBondContact N-O 3.17Å; D184-S186 PolarHBondContact O-N 2.98Å; D184-S186 WeakPolarHBondContact OD1-CB 3.11Å; D184-S186 PolarHBondContact OD1-N 3.14Å; D184-S186 VanDerWaalsContact OD1-N 3.08Å; D184-S186 PolarHBondContact OD1-OG 2.91Å; D184-S186 WeakPolarHBondContact OD2-CB 3.4Å; S186-Q188 PolarHBondContact OG-NE2 3.09Å
187	V	98	Very high	86.5	Confident	2 Å²	2	18.4 Å²	18.4	1%	0.012	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.9	-179.7	-177.8	0	0	0	0	108	N101 I153 E156 V157 I179 L181 L327	N101-V187 WeakPolarHBondContact CA-O 3.22Å; N101-V187 PolarHBondContact ND2-O 2.62Å; I153-V187 HydrophobicContact CG2-CG1 3.98Å; E156-V187 HydrophobicContact CB-CB 3.71Å; E156-V187 HydrophobicContact CB-CG1 4.05Å; E156-V187 HydrophobicContact CB-CG2 4.29Å; E156-V187 HydrophobicContact CG-CB 4.17Å; E156-V187 HydrophobicContact CG-CG2 4.28Å; V157-V187 HydrophobicContact CG2-CG1 4.28Å; I179-V187 HydrophobicContact CG2-CG1 3.76Å; L181-V187 HydrophobicContact CD2-CB 4.33Å; L181-V187 HydrophobicContact CD2-CG1 4.39Å; L181-V187 HydrophobicContact CD2-CG2 3.74Å; V187-L327 HydrophobicContact CG2-CD1 3.7Å
188	Q	97.4	Very high	85	Confident	6 Å²	6	18.9 Å²	18.9	3%	0.028	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.7	-175.5	-73.6	162.8	63.1	0	0	111.6	P100 N101 V103 L122 L180 S186	P100-Q188 VanDerWaalsContact O-CG 3.27Å; P100-Q188 WeakPolarHBondContact O-CG 3.33Å; N101-Q188 WeakPolarHBondContact O-CA 3.49Å; V103-Q188 HydrophobicContact CG2-CB 3.82Å; L122-Q188 HydrophobicContact CD1-CB 3.88Å; L122-Q188 HydrophobicContact CD1-CG 4.41Å; L180-Q188 PolarHBondContact N-O 3.33Å; L180-Q188 PolarHBondContact O-N 3.21Å; S186-Q188 PolarHBondContact OG-NE2 3.09Å
189	I	95.8	Very high	83.2	Confident	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.2	173.8	-44.9	171.4	0	0	0	109.4	N101 V103 V157 L161 H171 L174	N101-I189 PolarHBondContact O-N 2.95Å; V103-I189 WeakPolarHBondContact CG2-O 3.49Å; V103-I189 PolarHBondContact N-O 3.32Å; V157-I189 HydrophobicContact CG1-CD1 4.03Å; V157-I189 HydrophobicContact CG1-CG1 4.31Å; V157-I189 HydrophobicContact CG2-CG1 4.46Å; L161-I189 HydrophobicContact CD2-CD1 4.16Å; L161-I189 HydrophobicContact CG-CD1 4Å; H171-I189 VanDerWaalsContact NE2-CG2 3.28Å; H171-I189 WeakPolarHBondContact NE2-CG2 3.32Å; L174-I189 HydrophobicContact CD1-CG2 3.94Å
190	A	90.8	Very high	81.2	Confident	7 Å²	7	20.4 Å²	20.4	6%	0.058	11%	0.11	C	C	.	.			trans	-108.3	171.7	178.8	0	0	0	0	0	112	V103 H171 N178 L180 F192	V103-A190 HydrophobicContact CB-CB 4.48Å; V103-A190 HydrophobicContact CG2-CB 3.77Å; H171-A190 PolarHBondContact CE1-O 2.91Å; H171-A190 VanDerWaalsContact CE1-O 3.25Å; H171-A190 PolarHBondContact NE2-O 3.36Å; N178-A190 PolarHBondContact O-N 3.47Å; L180-A190 HydrophobicContact CD1-CB 3.63Å; L180-A190 HydrophobicContact CG-CB 3.8Å; A190-F192 VanDerWaalsContact C-N 3.27Å; A190-F192 PolarHBondContact O-N 3.29Å
191	D	80.4	Confident	79.3	Confident	43 Å²	43	19.6 Å²	19.6	23%	0.23	11%	0.111	C	C	.	.	S	Bend	trans	63.7	22.2	174.3	-81.8	13.9	0	0	0	116.5	K73 S195 A196	K73-D191 IonicContact NZ-OD1 2.88Å; K73-D191 PolarHBondContact NZ-OD1 3.31Å; K73-D191 IonicContact NZ-OD2 3.68Å; K73-D191 PolarHBondContact NZ-OD2 3.05Å; D191-S195 WeakPolarHBondContact O-CB 3.44Å; D191-A196 WeakPolarHBondContact O-CB 3.3Å; D191-A196 PolarHBondContact O-N 2.82Å
192	F	76	Confident	77.5	Confident	13 Å²	13	20 Å²	20	6%	0.057	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	166	162	174.3	-119.8	0	0	0	112.6	M94 C97 L164 Q169 H171 A190 V194	M94-F192 HydrophobicContact CB-CD1 4.48Å; M94-F192 HydrophobicContact CB-CE1 4.37Å; C97-F192 HydrophobicContact CB-CE1 4.25Å; C97-F192 VanDerWaalsContact SG-CE1 3.59Å; L164-F192 HydrophobicContact CD1-CD2 4.34Å; L164-F192 HydrophobicContact CD2-CD1 4.16Å; L164-F192 HydrophobicContact CD2-CD2 4.24Å; L164-F192 HydrophobicContact CD2-CE1 3.98Å; L164-F192 HydrophobicContact CD2-CE2 4.11Å; L164-F192 HydrophobicContact CD2-CG 4.3Å; L164-F192 HydrophobicContact CD2-CZ 3.98Å; Q169-F192 HydrophobicContact CB-CE2 3.88Å; Q169-F192 HydrophobicContact CB-CZ 3.81Å; Q169-F192 HydrophobicContact CG-CE2 4.39Å; Q169-F192 HydrophobicContact CG-CZ 3.81Å; H171-F192 PolarHBondContact NE2-N 2.83Å; A190-F192 VanDerWaalsContact C-N 3.27Å; A190-F192 PolarHBondContact O-N 3.29Å; F192-V194 PolarHBondContact O-N 2.95Å
193	G	76.8	Confident	75.4	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.01	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	-120.6	172.6	0	0	0	0	0	112.9	E90 S195 A196 F197	E90-G193 WeakPolarHBondContact OE2-CA 3.35Å; G193-S195 PolarHBondContact O-N 2.57Å; G193-S195 VanDerWaalsContact O-N 3.16Å; G193-A196 WeakPolarHBondContact O-CB 3.28Å; G193-A196 PolarHBondContact O-N 2.72Å; G193-A196 VanDerWaalsContact O-N 3.14Å; G193-F197 PolarHBondContact O-N 3.13Å
194	V	68.8	Low	73.3	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-48.8	-44.6	-178.9	169.8	0	0	0	0	112.8	I75 L87 E90 I91 M94 L117 F192 F197 L198	I75-V194 HydrophobicContact CD1-CG1 3.57Å; L87-V194 HydrophobicContact CD1-CB 4.37Å; L87-V194 HydrophobicContact CD1-CG1 3.51Å; L87-V194 HydrophobicContact CD1-CG2 4.09Å; E90-V194 HydrophobicContact CB-CG2 3.95Å; I91-V194 HydrophobicContact CD1-CG2 4.48Å; I91-V194 HydrophobicContact CG1-CG2 3.51Å; M94-V194 HydrophobicContact CE-CG2 4.13Å; L117-V194 HydrophobicContact CD1-CB 4.15Å; L117-V194 HydrophobicContact CD1-CG1 4.19Å; F192-V194 PolarHBondContact O-N 2.95Å; V194-F197 PolarHBondContact O-N 2.85Å; V194-L198 HydrophobicContact CG1-CD1 3.83Å; V194-L198 WeakPolarHBondContact O-CB 3.41Å; V194-L198 VanDerWaalsContact O-CG 3.31Å; V194-L198 WeakPolarHBondContact O-CG 3.45Å; V194-L198 PolarHBondContact O-N 2.87Å
195	S	62.5	Low	70.7	Confident	13 Å²	13	21.7 Å²	21.7	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-69.1	-44.5	-176	-61.1	0	0	0	0	111	K73 D191 G193 A199	K73-S195 PolarHBondContact NZ-OG 2.94Å; D191-S195 WeakPolarHBondContact O-CB 3.44Å; G193-S195 PolarHBondContact O-N 2.57Å; G193-S195 VanDerWaalsContact O-N 3.16Å; S195-A199 WeakPolarHBondContact O-CB 3.34Å; S195-A199 PolarHBondContact O-N 3.47Å
196	A	63.3	Low	68	Low	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-44.6	173.4	0	0	0	0	0	113	H171 R172 D191 G193 A199 T200	H171-A196 WeakPolarHBondContact O-CB 3.27Å; R172-A196 HydrophobicContact CB-CB 4.2Å; D191-A196 WeakPolarHBondContact O-CB 3.3Å; D191-A196 PolarHBondContact O-N 2.82Å; G193-A196 WeakPolarHBondContact O-CB 3.28Å; G193-A196 PolarHBondContact O-N 2.72Å; G193-A196 VanDerWaalsContact O-N 3.14Å; A196-A199 PolarHBondContact O-N 3.28Å; A196-T200 PolarHBondContact O-N 3.46Å; A196-T200 PolarHBondContact O-OG1 2.76Å; A196-T200 VanDerWaalsContact O-OG1 3.08Å
197	F	69.5	Low	65.1	Low	12 Å²	12	37.2 Å²	37.2	5%	0.053	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-48.7	177.9	178.6	-89	0	0	0	112.1	T82 E86 E90 G193 V194 T200 G201 G202 D203	T82-F197 HydrophobicContact CG2-CD1 4.4Å; T82-F197 HydrophobicContact CG2-CE1 3.66Å; E86-F197 HydrophobicContact CB-CE1 4.22Å; E86-F197 HydrophobicContact CB-CZ 3.78Å; E86-F197 HydrophobicContact CG-CZ 4.27Å; E90-F197 HydrophobicContact CG-CB 3.8Å; E90-F197 HydrophobicContact CG-CD2 3.82Å; E90-F197 HydrophobicContact CG-CG 3.86Å; E90-F197 VanDerWaalsContact OE1-CD2 3.31Å; E90-F197 WeakPolarHBondContact OE1-CD2 3.46Å; G193-F197 PolarHBondContact O-N 3.13Å; V194-F197 PolarHBondContact O-N 2.85Å; F197-T200 PolarHBondContact O-N 3.44Å; F197-T200 PolarHBondContact O-OG1 2.69Å; F197-G201 PolarHBondContact O-N 3.34Å; F197-G202 VanDerWaalsContact CZ-CA 3.41Å; F197-G202 PolarHBondContact O-N 3.44Å; F197-D203 HydrophobicContact CE2-CB 4.29Å
198	L	59.1	Low	61.9	Low	25 Å²	25	45.9 Å²	45.9	13%	0.131	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-40.3	176.7	-68.4	170.4	0	0	0	111.2	I75 C80 T82 L87 V194 T200 G201	I75-L198 HydrophobicContact CD1-CD1 4.34Å; I75-L198 HydrophobicContact CG2-CD1 3.87Å; C80-L198 HydrophobicContact CB-CD2 4.03Å; T82-L198 HydrophobicContact CG2-CD2 4.31Å; L87-L198 HydrophobicContact CD1-CD1 4.49Å; V194-L198 HydrophobicContact CG1-CD1 3.83Å; V194-L198 WeakPolarHBondContact O-CB 3.41Å; V194-L198 VanDerWaalsContact O-CG 3.31Å; V194-L198 WeakPolarHBondContact O-CG 3.45Å; V194-L198 PolarHBondContact O-N 2.87Å; L198-T200 VanDerWaalsContact C-N 3.31Å; L198-T200 PolarHBondContact O-N 3.05Å; L198-G201 PolarHBondContact O-N 2.97Å; L198-G201 VanDerWaalsContact O-N 3.16Å
199	A	54.4	Low	58.8	Low	24 Å²	24	52.2 Å²	52.2	20%	0.198	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-31.9	177	0	0	0	0	0	113.1	D173 S195 A196 V214 G215	D173-A199 HydrophobicContact CB-CB 4.34Å; S195-A199 WeakPolarHBondContact O-CB 3.34Å; S195-A199 PolarHBondContact O-N 3.47Å; A196-A199 PolarHBondContact O-N 3.28Å; A199-V214 CarbonylContact O-C 3.59Å; A199-V214 VanDerWaalsContact O-C 3.29Å; A199-V214 WeakPolarHBondContact O-CG1 3.16Å; A199-G215 WeakPolarHBondContact O-CA 3.43Å; A199-G215 PolarHBondContact O-N 2.88Å; A199-G215 VanDerWaalsContact O-N 3.14Å
200	T	56.6	Low	55.7	Low	20 Å²	20	57.7 Å²	57.7	12%	0.123	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	10.5	174.4	55.8	0	0	0	0	114.7	R172 A196 F197 L198 G202	R172-T200 HydrophobicContact CB-CG2 3.83Å; A196-T200 PolarHBondContact O-N 3.46Å; A196-T200 PolarHBondContact O-OG1 2.76Å; A196-T200 VanDerWaalsContact O-OG1 3.08Å; F197-T200 PolarHBondContact O-N 3.44Å; F197-T200 PolarHBondContact O-OG1 2.69Å; L198-T200 VanDerWaalsContact C-N 3.31Å; L198-T200 PolarHBondContact O-N 3.05Å; T200-G202 PolarHBondContact O-N 3.18Å
201	G	54.5	Low	52.8	Low	22 Å²	22	67.3 Å²	67.3	23%	0.227	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	9.2	174.3	0	0	0	0	0	116.2	F197 L198 R210	F197-G201 PolarHBondContact O-N 3.34Å; L198-G201 PolarHBondContact O-N 2.97Å; L198-G201 VanDerWaalsContact O-N 3.16Å; G201-R210 PolarHBondContact O-NH1 3.5Å
202	G	58.1	Low	50.7	Low	8 Å²	8	70.2 Å²	70.2	8%	0.082	36%	0.362	C	S	.	.	S	Bend	trans	99.4	-157.9	178	0	0	0	0	0	115.2	F197 T200 V204	F197-G202 VanDerWaalsContact CZ-CA 3.41Å; F197-G202 PolarHBondContact O-N 3.44Å; T200-G202 PolarHBondContact O-N 3.18Å; G202-V204 PolarHBondContact O-N 3.14Å
203	D	48.9	Very low	48.7	Very low	69 Å²	69	72.1 Å²	72.1	37%	0.369	37%	0.371	S	S	.	.			trans	-71.4	95.3	178.6	-179.4	4.8	0	0	0	111.3	F197 T205 R206	F197-D203 HydrophobicContact CE2-CB 4.29Å; D203-T205 VanDerWaalsContact CG-OG1 3.26Å; D203-T205 PolarHBondContact O-N 3.44Å; D203-T205 VanDerWaalsContact OD1-CB 3.32Å; D203-T205 WeakPolarHBondContact OD1-CB 3.43Å; D203-T205 WeakPolarHBondContact OD1-CG2 3.46Å; D203-T205 PolarHBondContact OD1-N 3.08Å; D203-T205 PolarHBondContact OD1-OG1 2.89Å; D203-T205 PolarHBondContact OD2-OG1 2.7Å; D203-R206 PolarHBondContact O-N 2.76Å
204	V	45.8	Very low	46.9	Very low	79 Å²	79	75.1 Å²	75.1	48%	0.479	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-19.2	179.6	-171.5	0	0	0	0	112.6	G202 R206	G202-V204 PolarHBondContact O-N 3.14Å; V204-R206 VanDerWaalsContact C-N 3.3Å; V204-R206 PolarHBondContact O-N 3.31Å
205	T	38.8	Very low	46	Very low	106 Å²	106	76.4 Å²	76.4	65%	0.65	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-14.3	-178.3	73	0	0	0	0	114.3	D203	D203-T205 VanDerWaalsContact CG-OG1 3.26Å; D203-T205 PolarHBondContact O-N 3.44Å; D203-T205 VanDerWaalsContact OD1-CB 3.32Å; D203-T205 WeakPolarHBondContact OD1-CB 3.43Å; D203-T205 WeakPolarHBondContact OD1-CG2 3.46Å; D203-T205 PolarHBondContact OD1-N 3.08Å; D203-T205 PolarHBondContact OD1-OG1 2.89Å; D203-T205 PolarHBondContact OD2-OG1 2.7Å
206	R	37.3	Very low	46	Very low	163 Å²	163	77.4 Å²	77.4	62%	0.615	41%	0.407	S	S	*	.	S	Bend	trans	-112.3	54.6	-169.5	-69	-174.1	69.4	-151.5	6	116.2	E86 D203 V204 K208	E86-R206 IonicContact OE1-NH1 3.56Å; D203-R206 PolarHBondContact O-N 2.76Å; V204-R206 VanDerWaalsContact C-N 3.3Å; V204-R206 PolarHBondContact O-N 3.31Å; R206-K208 PolarHBondContact O-N 3.02Å
207	N	34.3	Very low	46.1	Very low	167 Å²	167	78.4 Å²	78.4	89%	0.893	41%	0.414	S	S	*	.			trans	45.9	21.6	138.4	-128.3	10.6	0	0	0	120.1
208	K	31.5	Very low	46.5	Very low	184 Å²	184	78.5 Å²	78.5	80%	0.8	42%	0.416	S	S	*	.			trans	-116.8	78.6	-177.9	-84.2	-168.2	171.9	-173.8	0	112.2	R206 R210	R206-K208 PolarHBondContact O-N 3.02Å; K208-R210 PolarHBondContact O-N 3.46Å; K208-R210 VanDerWaalsContact O-N 3.14Å
209	V	31.1	Very low	47.7	Very low	139 Å²	139	79 Å²	79	84%	0.842	42%	0.416	S	S	*	.			trans	33.3	67.9	149.9	-161.2	0	0	0	0	115.9
210	R	31.8	Very low	48.9	Very low	116 Å²	116	78.9 Å²	78.9	44%	0.438	41%	0.412	S	S	.	.			trans	-115	114.5	156.3	-74.9	-175.3	172.4	137.2	7.8	108.7	Q81 G201 K208	Q81-R210 PolarHBondContact O-NH2 3.1Å; G201-R210 PolarHBondContact O-NH1 3.5Å; K208-R210 PolarHBondContact O-N 3.46Å; K208-R210 VanDerWaalsContact O-N 3.14Å
211	K	29.5	Very low	49.8	Very low	208 Å²	208	77.9 Å²	77.9	90%	0.904	41%	0.406	S	S	*	.			trans	-91.2	-4	172.1	-72.2	-177.1	174.8	-178.9	0	112.6
212	T	35.5	Very low	50.8	Low	104 Å²	104	77 Å²	77	64%	0.638	40%	0.396	S	S	*	.	S	Bend	trans	-81.6	127.2	175	31.7	0	0	0	0	110.5	V214	T212-V214 PolarHBondContact O-N 2.85Å; T212-V214 VanDerWaalsContact O-N 3.16Å
213	F	35	Very low	51.7	Low	54 Å²	54	78 Å²	78	24%	0.237	40%	0.398	C	S	.	.			trans	-82.7	89.3	-179.3	-158.7	-87.5	0	0	0	109.8	P217 M220 M225 L263	F213-P217 HydrophobicContact CD1-CB 4.37Å; F213-P217 HydrophobicContact CE1-CB 4.02Å; F213-M220 HydrophobicContact CE1-CE 3.89Å; F213-M220 HydrophobicContact CE1-SD 3.71Å; F213-M220 HydrophobicContact CZ-CE 4.02Å; F213-M220 HydrophobicContact CZ-SD 4.35Å; F213-M225 HydrophobicContact CZ-CB 4.42Å; F213-M225 HydrophobicContact CZ-CG 4.07Å; F213-L263 HydrophobicContact CD2-CD2 4.16Å; F213-L263 HydrophobicContact CE2-CD1 3.93Å; F213-L263 HydrophobicContact CE2-CD2 3.85Å; F213-L263 HydrophobicContact CE2-CG 4.37Å; F213-L263 HydrophobicContact CZ-CD1 4.07Å
214	V	39.2	Very low	52.9	Low	64 Å²	64	75.7 Å²	75.7	39%	0.388	39%	0.387	S	S	.	.			trans	-88.9	123	-177.8	-162.6	0	0	0	0	109.8	A199 T212	A199-V214 CarbonylContact O-C 3.59Å; A199-V214 VanDerWaalsContact O-C 3.29Å; A199-V214 WeakPolarHBondContact O-CG1 3.16Å; T212-V214 PolarHBondContact O-N 2.85Å; T212-V214 VanDerWaalsContact O-N 3.16Å
215	G	49.9	Very low	53.9	Low	27 Å²	27	72.4 Å²	72.4	28%	0.278	37%	0.366	S	S	.	.	S	Bend	trans	155.9	178.6	-177.3	0	0	0	0	0	112.2	A199 P217	A199-G215 WeakPolarHBondContact O-CA 3.43Å; A199-G215 PolarHBondContact O-N 2.88Å; A199-G215 VanDerWaalsContact O-N 3.14Å; G215-P217 WeakPolarHBondContact O-CD 3.45Å
216	T	61.3	Low	55	Low	34 Å²	34	72.8 Å²	72.8	21%	0.209	36%	0.361	C	S	.	.			trans	-98.6	86	169.4	-39.7	0	0	0	0	108.7	D173 K175 C218 W219	D173-T216 PolarHBondContact OD1-OG1 3.08Å; K175-T216 HydrophobicContact CD-CG2 4.01Å; K175-T216 PolarHBondContact NZ-OG1 2.9Å; T216-C218 VanDerWaalsContact C-N 3.32Å; T216-C218 PolarHBondContact O-N 3.33Å; T216-C218 VanDerWaalsContact O-N 3.08Å; T216-W219 HydrophobicContact CG2-CD2 4.2Å; T216-W219 HydrophobicContact CG2-CE3 3.31Å; T216-W219 HydrophobicContact CG2-CH2 4.29Å; T216-W219 HydrophobicContact CG2-CZ3 3.39Å; T216-W219 PolarHBondContact O-N 2.87Å; T216-W219 VanDerWaalsContact O-N 3.08Å
217	P	65.8	Low	56.3	Low	21 Å²	21	71.3 Å²	71.3	14%	0.136	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30	-155	23.7	-36.7	0	0	0	115.2	F213 G215 W219 M220 M225 P259 V262	F213-P217 HydrophobicContact CD1-CB 4.37Å; F213-P217 HydrophobicContact CE1-CB 4.02Å; G215-P217 WeakPolarHBondContact O-CD 3.45Å; P217-W219 PolarHBondContact O-N 3.2Å; P217-M220 PolarHBondContact O-N 2.71Å; P217-M225 WeakPolarHBondContact O-CE 3.4Å; P217-P259 HydrophobicContact CB-CB 4.44Å; P217-P259 HydrophobicContact CG-CB 4Å; P217-P259 HydrophobicContact CG-CG 4.21Å; P217-V262 HydrophobicContact CB-CB 4.4Å; P217-V262 HydrophobicContact CB-CG1 4.11Å
218	C	77.6	Confident	57	Low	14 Å²	14	69.1 Å²	69.1	10%	0.095	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.3	-178.5	-51.5	0	0	0	0	113.9	T216 I242 A252 V262	T216-C218 VanDerWaalsContact C-N 3.32Å; T216-C218 PolarHBondContact O-N 3.33Å; T216-C218 VanDerWaalsContact O-N 3.08Å; C218-I242 WeakPolarHBondContact O-CG2 3.32Å; C218-A252 HydrophobicContact CB-CB 3.49Å; C218-A252 VanDerWaalsContact CB-CB 3.49Å; C218-V262 HydrophobicContact CB-CG1 4.26Å
219	W	85.8	Confident	58	Low	37 Å²	37	70.7 Å²	70.7	14%	0.14	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-14.7	179.2	-64.8	-109.7	0	0	0	112.5	L174 K175 T216 P217 S239 I242 E246 A252	L174-W219 VanDerWaalsContact O-CD1 3.3Å; K175-W219 HydrophobicContact CB-CD2 4.18Å; K175-W219 HydrophobicContact CB-CG 4.1Å; K175-W219 HydrophobicContact CB-CZ2 4.4Å; T216-W219 HydrophobicContact CG2-CD2 4.2Å; T216-W219 HydrophobicContact CG2-CE3 3.31Å; T216-W219 HydrophobicContact CG2-CH2 4.29Å; T216-W219 HydrophobicContact CG2-CZ3 3.39Å; T216-W219 PolarHBondContact O-N 2.87Å; T216-W219 VanDerWaalsContact O-N 3.08Å; P217-W219 PolarHBondContact O-N 3.2Å; W219-S239 WeakPolarHBondContact O-CA 3.3Å; W219-S239 WeakPolarHBondContact O-CB 3.33Å; W219-S239 PolarHBondContact O-OG 2.86Å; W219-I242 HydrophobicContact CB-CG2 4.29Å; W219-I242 HydrophobicContact CD2-CG2 4.15Å; W219-I242 HydrophobicContact CG-CB 4.29Å; W219-I242 HydrophobicContact CG-CG2 3.71Å; W219-E246 HydrophobicContact CZ2-CG 4.34Å; W219-E246 WeakPolarHBondContact CZ2-OE1 3.46Å; W219-E246 PolarHBondContact NE1-OE2 3.11Å; W219-A252 HydrophobicContact CD2-CB 4.1Å; W219-A252 HydrophobicContact CE3-CB 4.19Å; W219-A252 HydrophobicContact CH2-CB 3.73Å; W219-A252 HydrophobicContact CZ2-CB 3.62Å; W219-A252 HydrophobicContact CZ3-CB 4.01Å
220	M	79.4	Confident	59.5	Low	20 Å²	20	67.4 Å²	67.4	10%	0.099	35%	0.348	C	S	.	.			trans	-69.1	145.1	-177.2	-67.5	171.2	70.1	0	0	111.9	F213 P217 V224 M225 W238	F213-M220 HydrophobicContact CE1-CE 3.89Å; F213-M220 HydrophobicContact CE1-SD 3.71Å; F213-M220 HydrophobicContact CZ-CE 4.02Å; F213-M220 HydrophobicContact CZ-SD 4.35Å; P217-M220 PolarHBondContact O-N 2.71Å; M220-V224 HydrophobicContact CE-CG1 3.76Å; M220-M225 HydrophobicContact CB-CE 3.84Å; M220-M225 HydrophobicContact CB-CG 4.4Å; M220-W238 PolarHBondContact O-NE1 3.43Å
221	A	73.8	Confident	61.6	Low	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.337	C	S	.	.			trans	-84.7	149.1	179.9	0	0	0	0	0	112.2	E223 V224 M225 A235 W238	A221-E223 VanDerWaalsContact C-N 3.31Å; A221-E223 VanDerWaalsContact CB-OE1 3.25Å; A221-E223 WeakPolarHBondContact CB-OE1 3.23Å; A221-E223 WeakPolarHBondContact CB-OE2 3.34Å; A221-E223 PolarHBondContact O-N 2.98Å; A221-V224 HydrophobicContact CB-CG2 4.02Å; A221-V224 WeakPolarHBondContact O-CA 3.32Å; A221-V224 VanDerWaalsContact O-CB 3.3Å; A221-V224 WeakPolarHBondContact O-CB 3.31Å; A221-V224 PolarHBondContact O-N 3.06Å; A221-M225 WeakPolarHBondContact O-CG 3.4Å; A221-M225 PolarHBondContact O-N 3.02Å; A221-A235 HydrophobicContact CB-CB 4.21Å; A221-W238 VanDerWaalsContact CA-CD1 3.49Å; A221-W238 HydrophobicContact CB-CB 3.69Å; A221-W238 HydrophobicContact CB-CD2 4.39Å; A221-W238 HydrophobicContact CB-CG 3.7Å
222	P	76.8	Confident	64.3	Low	4 Å²	4	57.7 Å²	57.7	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-50.8	-43.1	-176.5	-29.5	35.5	0	0	0	114.9	V224 M225 E226 W238 T266 L267 K301	P222-V224 VanDerWaalsContact C-N 3.31Å; P222-V224 PolarHBondContact O-N 3.42Å; P222-M225 WeakPolarHBondContact O-CA 3.44Å; P222-M225 VanDerWaalsContact O-CB 3.3Å; P222-M225 WeakPolarHBondContact O-CB 3.49Å; P222-M225 PolarHBondContact O-N 3.1Å; P222-E226 WeakPolarHBondContact O-CG 3.22Å; P222-E226 PolarHBondContact O-N 3.35Å; P222-W238 HydrophobicContact CG-CE3 4.33Å; P222-W238 HydrophobicContact CG-CH2 3.89Å; P222-W238 HydrophobicContact CG-CZ2 4.13Å; P222-W238 HydrophobicContact CG-CZ3 3.99Å; P222-T266 HydrophobicContact CG-CG2 4.21Å; P222-L267 HydrophobicContact CB-CD2 3.98Å; P222-K301 HydrophobicContact CB-CD 4.22Å; P222-K301 HydrophobicContact CG-CD 3.56Å
223	E	77.3	Confident	66.9	Low	27 Å²	27	55.7 Å²	55.7	13%	0.126	29%	0.294	C	S	.	.	H	α-helix	trans	-67.1	-29.4	179.3	70.8	-75.2	-175.5	0	0	113.3	A221 M225 A235 P303 R306	A221-E223 VanDerWaalsContact C-N 3.31Å; A221-E223 VanDerWaalsContact CB-OE1 3.25Å; A221-E223 WeakPolarHBondContact CB-OE1 3.23Å; A221-E223 WeakPolarHBondContact CB-OE2 3.34Å; A221-E223 PolarHBondContact O-N 2.98Å; E223-M225 VanDerWaalsContact C-N 3.3Å; E223-A235 WeakPolarHBondContact OE1-CA 3.19Å; E223-P303 HydrophobicContact CB-CG 4.16Å; E223-P303 HydrophobicContact CG-CG 3.77Å; E223-R306 IonicContact OE1-CZ 2.8Å; E223-R306 IonicContact OE1-NH1 3.7Å; E223-R306 PolarHBondContact OE1-NH1 3.29Å; E223-R306 IonicContact OE1-NH2 3.15Å; E223-R306 IonicContact OE2-CZ 2.63Å; E223-R306 IonicContact OE2-NH1 3.79Å; E223-R306 PolarHBondContact OE2-NH1 3.17Å; E223-R306 IonicContact OE2-NH2 3.25Å; E223-R306 PolarHBondContact OE2-NH2 3.35Å
224	V	72.9	Confident	69.7	Low	21 Å²	21	54.3 Å²	54.3	13%	0.127	29%	0.288	C	S	.	.	H	α-helix	trans	-69.6	-34	172.3	-172.5	0	0	0	0	110.1	M220 A221 P222 Y231 A235	M220-V224 HydrophobicContact CE-CG1 3.76Å; A221-V224 HydrophobicContact CB-CG2 4.02Å; A221-V224 WeakPolarHBondContact O-CA 3.32Å; A221-V224 VanDerWaalsContact O-CB 3.3Å; A221-V224 WeakPolarHBondContact O-CB 3.31Å; A221-V224 PolarHBondContact O-N 3.06Å; P222-V224 VanDerWaalsContact C-N 3.31Å; P222-V224 PolarHBondContact O-N 3.42Å; V224-Y231 HydrophobicContact CB-CD1 4.28Å; V224-Y231 HydrophobicContact CG1-CD1 4.03Å; V224-Y231 HydrophobicContact CG1-CE1 3.83Å; V224-Y231 HydrophobicContact CG2-CD1 3.89Å; V224-Y231 HydrophobicContact CG2-CD2 3.91Å; V224-Y231 HydrophobicContact CG2-CE1 4.29Å; V224-Y231 HydrophobicContact CG2-CE2 4.29Å; V224-Y231 HydrophobicContact CG2-CG 3.68Å; V224-A235 HydrophobicContact CG2-CB 3.73Å
225	M	66.6	Low	72.1	Confident	11 Å²	11	51.4 Å²	51.4	5%	0.054	27%	0.271	C	S	.	.	H	α-helix	trans	-75.6	-32	178.1	-59.8	-170.1	170.5	0	0	113.2	F213 P217 M220 A221 P222 E223 L263 T266 L267	F213-M225 HydrophobicContact CZ-CB 4.42Å; F213-M225 HydrophobicContact CZ-CG 4.07Å; P217-M225 WeakPolarHBondContact O-CE 3.4Å; M220-M225 HydrophobicContact CB-CE 3.84Å; M220-M225 HydrophobicContact CB-CG 4.4Å; A221-M225 WeakPolarHBondContact O-CG 3.4Å; A221-M225 PolarHBondContact O-N 3.02Å; P222-M225 WeakPolarHBondContact O-CA 3.44Å; P222-M225 VanDerWaalsContact O-CB 3.3Å; P222-M225 WeakPolarHBondContact O-CB 3.49Å; P222-M225 PolarHBondContact O-N 3.1Å; E223-M225 VanDerWaalsContact C-N 3.3Å; M225-L263 HydrophobicContact CB-CD1 3.59Å; M225-L263 HydrophobicContact CG-CD1 4.02Å; M225-L263 HydrophobicContact SD-CD1 3.69Å; M225-T266 HydrophobicContact CE-CG2 3.77Å; M225-T266 HydrophobicContact SD-CG2 3.75Å; M225-L267 HydrophobicContact CB-CD1 4.49Å; M225-L267 HydrophobicContact CB-CD2 4.06Å; M225-L267 HydrophobicContact CB-CG 4.44Å; M225-L267 HydrophobicContact SD-CG 4.46Å
226	E	63.4	Low	74.3	Confident	114 Å²	114	50.1 Å²	50.1	53%	0.533	26%	0.258	S	S	.	.	H	α-helix	trans	-76.5	-26.4	-177	-76	176.4	-176.9	0	0	114	P222 V228 L267	P222-E226 WeakPolarHBondContact O-CG 3.22Å; P222-E226 PolarHBondContact O-N 3.35Å; E226-V228 WeakPolarHBondContact O-CG2 3.18Å; E226-V228 PolarHBondContact O-N 2.81Å; E226-L267 HydrophobicContact CG-CD1 4.39Å; E226-L267 HydrophobicContact CG-CD2 3.76Å
227	Q	63.5	Low	76	Confident	131 Å²	131	48.5 Å²	48.5	61%	0.612	25%	0.248	S	C	*	.			trans	58.9	-1.1	176.4	-56.3	-177.4	-10.3	0	0	116.8	R229	Q227-R229 VanDerWaalsContact C-N 3.28Å; Q227-R229 PolarHBondContact O-N 2.81Å
228	V	49.3	Very low	77.6	Confident	121 Å²	121	47.6 Å²	47.6	73%	0.733	24%	0.242	S	C	*	.	S	Bend	trans	-65.7	-28	-177.7	-179.6	0	0	0	0	113	E226	E226-V228 WeakPolarHBondContact O-CG2 3.18Å; E226-V228 PolarHBondContact O-N 2.81Å
229	R	52.7	Low	78.5	Confident	217 Å²	217	47.1 Å²	47.1	82%	0.819	24%	0.239	S	C	*	.	S	Bend	trans	-143.1	155.7	174.2	-64.6	-174.5	178.7	-172.7	-1.2	109.1	Q227	Q227-R229 VanDerWaalsContact C-N 3.28Å; Q227-R229 PolarHBondContact O-N 2.81Å
230	G	62.5	Low	79.1	Confident	70 Å²	70	45.4 Å²	45.4	72%	0.722	23%	0.232	S	C	*	.			trans	-61.1	146.2	169.7	0	0	0	0	0	111.5
231	Y	76.8	Confident	80	Confident	49 Å²	49	44.4 Å²	44.4	19%	0.192	23%	0.227	C	C	.	.			trans	-96.3	162	179.5	64.1	-90	0	0	0	111.8	I170 R172 V224 A235	I170-Y231 HydrophobicContact CD1-CD2 4.49Å; I170-Y231 HydrophobicContact CD1-CE2 4.46Å; I170-Y231 HydrophobicContact CG2-CE2 4.14Å; R172-Y231 WeakPolarHBondContact CD-OH 3.42Å; R172-Y231 HydrophobicContact CG-CE2 4.32Å; R172-Y231 WeakPolarHBondContact CG-OH 3.41Å; V224-Y231 HydrophobicContact CB-CD1 4.28Å; V224-Y231 HydrophobicContact CG1-CD1 4.03Å; V224-Y231 HydrophobicContact CG1-CE1 3.83Å; V224-Y231 HydrophobicContact CG2-CD1 3.89Å; V224-Y231 HydrophobicContact CG2-CD2 3.91Å; V224-Y231 HydrophobicContact CG2-CE1 4.29Å; V224-Y231 HydrophobicContact CG2-CE2 4.29Å; V224-Y231 HydrophobicContact CG2-CG 3.68Å; Y231-A235 HydrophobicContact CD2-CB 3.62Å; Y231-A235 HydrophobicContact CE2-CB 4.16Å; Y231-A235 HydrophobicContact CG-CB 4.42Å
232	D	84.8	Confident	81.2	Confident	72 Å²	72	44.5 Å²	44.5	39%	0.385	23%	0.228	S	C	.	.			trans	-114.9	-171.9	177.8	72.9	6.3	0	0	0	111.9	K234 A235	D232-K234 PolarHBondContact O-N 2.99Å; D232-K234 VanDerWaalsContact O-N 3.08Å; D232-K234 WeakPolarHBondContact OD1-CB 3.27Å; D232-K234 VanDerWaalsContact OD1-CG 3.24Å; D232-K234 WeakPolarHBondContact OD1-CG 3.41Å; D232-K234 PolarHBondContact OD1-N 3.25Å; D232-A235 WeakPolarHBondContact O-CB 3.27Å; D232-A235 PolarHBondContact O-N 3.18Å; D232-A235 VanDerWaalsContact O-N 3.09Å
233	F	89.7	Confident	82.2	Confident	62 Å²	62	44.3 Å²	44.3	27%	0.272	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-12.5	180	67.4	-91.9	0	0	0	114.6	H165 I170 A235 D236 T308	H165-F233 HydrophobicContact CB-CB 4.27Å; H165-F233 HydrophobicContact CB-CD2 4.04Å; H165-F233 HydrophobicContact CB-CG 4.19Å; H165-F233 PolarHBondContact CE1-O 3.23Å; H165-F233 AromaticContact CG-CD2 3.77Å; H165-F233 AromaticContact CG-CG 4Å; H165-F233 AromaticContact ND1-CD2 3.46Å; H165-F233 WeakPolarHBondContact ND1-CD2 3.46Å; I170-F233 HydrophobicContact CG1-CB 4.24Å; F233-A235 PolarHBondContact O-N 2.91Å; F233-D236 PolarHBondContact O-N 3.21Å; F233-T308 HydrophobicContact CE2-CG2 4.2Å
234	K	94.3	Very high	83.2	Confident	24 Å²	24	43 Å²	43	10%	0.104	22%	0.22	C	C	.	.	H	α-helix	trans	-68.7	-16.4	173	-56.7	-63.6	-160.6	75.2	0	112.3	D232 M237 W238 P303 S304 R306	D232-K234 PolarHBondContact O-N 2.99Å; D232-K234 VanDerWaalsContact O-N 3.08Å; D232-K234 WeakPolarHBondContact OD1-CB 3.27Å; D232-K234 VanDerWaalsContact OD1-CG 3.24Å; D232-K234 WeakPolarHBondContact OD1-CG 3.41Å; D232-K234 PolarHBondContact OD1-N 3.25Å; K234-M237 WeakPolarHBondContact O-CB 3.01Å; K234-M237 PolarHBondContact O-N 3.01Å; K234-W238 PolarHBondContact O-N 2.7Å; K234-P303 HydrophobicContact CB-CB 3.79Å; K234-P303 HydrophobicContact CG-CB 4.38Å; K234-P303 WeakPolarHBondContact CG-O 3.35Å; K234-P303 PolarHBondContact NZ-O 2.76Å; K234-S304 PolarHBondContact NZ-O 2.61Å; K234-R306 HydrophobicContact CD-CB 4.46Å; K234-R306 WeakPolarHBondContact CE-O 3.4Å; K234-R306 PolarHBondContact NZ-O 3.21Å; K234-R306 WeakPolarHBondContact O-CD 3.41Å; K234-R306 PolarHBondContact O-NH1 2.8Å
235	A	90.9	Very high	84.4	Confident	3 Å²	3	42 Å²	42	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-46.5	169.8	0	0	0	0	0	111.2	A221 E223 V224 Y231 D232 F233 M237 W238 S239	A221-A235 HydrophobicContact CB-CB 4.21Å; E223-A235 WeakPolarHBondContact OE1-CA 3.19Å; V224-A235 HydrophobicContact CG2-CB 3.73Å; Y231-A235 HydrophobicContact CD2-CB 3.62Å; Y231-A235 HydrophobicContact CE2-CB 4.16Å; Y231-A235 HydrophobicContact CG-CB 4.42Å; D232-A235 WeakPolarHBondContact O-CB 3.27Å; D232-A235 PolarHBondContact O-N 3.18Å; D232-A235 VanDerWaalsContact O-N 3.09Å; F233-A235 PolarHBondContact O-N 2.91Å; A235-M237 PolarHBondContact O-N 3.04Å; A235-W238 WeakPolarHBondContact O-CB 3.48Å; A235-W238 PolarHBondContact O-N 2.88Å; A235-S239 PolarHBondContact O-N 3.46Å; A235-S239 VanDerWaalsContact O-N 3.1Å; A235-S239 PolarHBondContact O-OG 2.9Å
236	D	94.8	Very high	85.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60	-33.2	176.7	-64.4	-25.2	0	0	0	112	L161 H165 I170 H171 R172 F233 W238 S239 F240	L161-D236 HydrophobicContact CD2-CB 4.12Å; H165-D236 IonicContact CD2-OD2 3.83Å; H165-D236 IonicContact CE1-OD2 2.71Å; H165-D236 IonicContact NE2-OD2 2.83Å; H165-D236 PolarHBondContact NE2-OD2 2.78Å; I170-D236 WeakPolarHBondContact CG2-OD2 3.12Å; H171-D236 PolarHBondContact N-OD1 2.84Å; H171-D236 PolarHBondContact N-OD2 3.42Å; R172-D236 PolarHBondContact N-OD1 3.29Å; F233-D236 PolarHBondContact O-N 3.21Å; D236-W238 VanDerWaalsContact C-N 3.29Å; D236-W238 PolarHBondContact O-N 2.76Å; D236-S239 PolarHBondContact O-N 3.48Å; D236-F240 VanDerWaalsContact O-CB 3.27Å; D236-F240 WeakPolarHBondContact O-CB 3.39Å; D236-F240 PolarHBondContact O-N 2.87Å
237	M	98.3	Very high	87.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68.8	-26.9	178.5	-57.7	-54.5	-59.7	0	0	112.6	L158 K234 A235 G241 C298 R306 A309 L312	L158-M237 HydrophobicContact CD2-CE 3.93Å; K234-M237 WeakPolarHBondContact O-CB 3.01Å; K234-M237 PolarHBondContact O-N 3.01Å; A235-M237 PolarHBondContact O-N 3.04Å; M237-G241 PolarHBondContact O-N 3.25Å; M237-C298 VanDerWaalsContact O-CB 3.3Å; M237-C298 WeakPolarHBondContact O-CB 3.12Å; M237-R306 HydrophobicContact CB-CB 4.42Å; M237-A309 HydrophobicContact CE-CB 4.4Å; M237-A309 HydrophobicContact SD-CB 4.19Å; M237-L312 HydrophobicContact CE-CB 4.21Å; M237-L312 HydrophobicContact CE-CD2 3.62Å
238	W	97.7	Very high	89.2	Confident	3 Å²	3	30 Å²	30	1%	0.011	16%	0.158	C	C	.	.	H	α-helix	trans	-74.8	-47.6	168.1	171.7	-77.4	0	0	0	110.8	M220 A221 P222 K234 A235 D236 F240 G241 I242 T266 P271 P272 L299 K301	M220-W238 PolarHBondContact O-NE1 3.43Å; A221-W238 VanDerWaalsContact CA-CD1 3.49Å; A221-W238 HydrophobicContact CB-CB 3.69Å; A221-W238 HydrophobicContact CB-CD2 4.39Å; A221-W238 HydrophobicContact CB-CG 3.7Å; P222-W238 HydrophobicContact CG-CE3 4.33Å; P222-W238 HydrophobicContact CG-CH2 3.89Å; P222-W238 HydrophobicContact CG-CZ2 4.13Å; P222-W238 HydrophobicContact CG-CZ3 3.99Å; K234-W238 PolarHBondContact O-N 2.7Å; A235-W238 WeakPolarHBondContact O-CB 3.48Å; A235-W238 PolarHBondContact O-N 2.88Å; D236-W238 VanDerWaalsContact C-N 3.29Å; D236-W238 PolarHBondContact O-N 2.76Å; W238-F240 PolarHBondContact O-N 3.4Å; W238-G241 WeakPolarHBondContact O-CA 3.28Å; W238-G241 PolarHBondContact O-N 2.86Å; W238-I242 PolarHBondContact O-N 2.78Å; W238-T266 HydrophobicContact CZ2-CG2 3.86Å; W238-P271 HydrophobicContact CH2-CB 4.02Å; W238-P271 HydrophobicContact CZ3-CB 4.11Å; W238-P271 HydrophobicContact CZ3-CG 4.46Å; W238-P272 HydrophobicContact CZ2-CG 4.36Å; W238-L299 HydrophobicContact CD2-CD2 3.74Å; W238-L299 HydrophobicContact CE3-CB 4.39Å; W238-L299 HydrophobicContact CE3-CD2 4.01Å; W238-L299 HydrophobicContact CG-CD2 4.1Å; W238-L299 HydrophobicContact CZ2-CD2 4.29Å; W238-L299 HydrophobicContact CZ3-CB 4.26Å; W238-L299 HydrophobicContact CZ3-CD2 4.4Å; W238-K301 HydrophobicContact CH2-CD 4.22Å; W238-K301 HydrophobicContact CZ3-CD 4.3Å
239	S	96.9	Very high	91.4	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.028	13%	0.132	C	C	.	.	H	α-helix	trans	-56.9	-36.7	177.1	-49	0	0	0	0	112.2	W219 A235 D236 I242 T243	W219-S239 WeakPolarHBondContact O-CA 3.3Å; W219-S239 WeakPolarHBondContact O-CB 3.33Å; W219-S239 PolarHBondContact O-OG 2.86Å; A235-S239 PolarHBondContact O-N 3.46Å; A235-S239 VanDerWaalsContact O-N 3.1Å; A235-S239 PolarHBondContact O-OG 2.9Å; D236-S239 PolarHBondContact O-N 3.48Å; S239-I242 PolarHBondContact O-N 3.31Å; S239-T243 WeakPolarHBondContact O-CB 3.5Å; S239-T243 PolarHBondContact O-N 2.88Å; S239-T243 PolarHBondContact O-OG1 3.2Å
240	F	98.7	Very high	93.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.5	-42.5	171.5	176.9	-89.9	0	0	0	112	L154 V157 L158 L161 L174 D236 W238 I242 T243 A244 L294 L312 F318	L154-F240 HydrophobicContact CB-CE2 3.96Å; L154-F240 HydrophobicContact CB-CZ 3.81Å; L154-F240 HydrophobicContact CD1-CZ 4.14Å; L154-F240 HydrophobicContact CD2-CD2 4.33Å; L154-F240 HydrophobicContact CD2-CE2 3.75Å; L154-F240 HydrophobicContact CD2-CZ 4.16Å; L154-F240 HydrophobicContact CG-CE2 4.3Å; L154-F240 HydrophobicContact CG-CZ 4.27Å; V157-F240 HydrophobicContact CB-CE2 4.39Å; V157-F240 HydrophobicContact CG1-CD2 3.94Å; V157-F240 HydrophobicContact CG1-CE2 4.05Å; L158-F240 HydrophobicContact CD1-CE1 4.35Å; L158-F240 HydrophobicContact CD1-CE2 4.28Å; L158-F240 HydrophobicContact CD1-CZ 3.74Å; L158-F240 HydrophobicContact CD2-CD1 4.37Å; L158-F240 HydrophobicContact CD2-CD2 3.91Å; L158-F240 HydrophobicContact CD2-CE1 4.08Å; L158-F240 HydrophobicContact CD2-CE2 3.57Å; L158-F240 HydrophobicContact CD2-CG 4.3Å; L158-F240 HydrophobicContact CD2-CZ 3.66Å; L158-F240 HydrophobicContact CG-CD2 4.35Å; L158-F240 HydrophobicContact CG-CE1 4.34Å; L158-F240 HydrophobicContact CG-CE2 3.53Å; L158-F240 HydrophobicContact CG-CZ 3.52Å; L161-F240 HydrophobicContact CD1-CB 4.41Å; L161-F240 HydrophobicContact CD1-CD2 4.01Å; L174-F240 HydrophobicContact CD2-CB 3.8Å; L174-F240 HydrophobicContact CD2-CD2 4.3Å; D236-F240 VanDerWaalsContact O-CB 3.27Å; D236-F240 WeakPolarHBondContact O-CB 3.39Å; D236-F240 PolarHBondContact O-N 2.87Å; W238-F240 PolarHBondContact O-N 3.4Å; F240-I242 VanDerWaalsContact C-N 3.34Å; F240-I242 PolarHBondContact O-N 2.91Å; F240-T243 PolarHBondContact O-N 3.16Å; F240-A244 WeakPolarHBondContact O-CB 3.43Å; F240-A244 PolarHBondContact O-N 3.49Å; F240-L294 HydrophobicContact CE1-CD2 4.29Å; F240-L312 HydrophobicContact CD1-CD2 3.91Å; F240-L312 HydrophobicContact CE1-CD2 3.59Å; F240-L312 HydrophobicContact CZ-CD2 4.42Å; F240-F318 HydrophobicContact CZ-CZ 4.15Å
241	G	98.6	Very high	94.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.1	-38.8	173.5	0	0	0	0	0	113.1	M237 W238 I245 L295	M237-G241 PolarHBondContact O-N 3.25Å; W238-G241 WeakPolarHBondContact O-CA 3.28Å; W238-G241 PolarHBondContact O-N 2.86Å; G241-I245 PolarHBondContact O-N 2.88Å; G241-L295 WeakPolarHBondContact O-CD2 3.22Å
242	I	98.3	Very high	95.6	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-68.7	-44	173.4	-58.8	-60.7	0	0	0	111	C218 W219 W238 S239 F240 A244 I245 E246 A252 P253 P272 L299	C218-I242 WeakPolarHBondContact O-CG2 3.32Å; W219-I242 HydrophobicContact CB-CG2 4.29Å; W219-I242 HydrophobicContact CD2-CG2 4.15Å; W219-I242 HydrophobicContact CG-CB 4.29Å; W219-I242 HydrophobicContact CG-CG2 3.71Å; W238-I242 PolarHBondContact O-N 2.78Å; S239-I242 PolarHBondContact O-N 3.31Å; F240-I242 VanDerWaalsContact C-N 3.34Å; F240-I242 PolarHBondContact O-N 2.91Å; I242-A244 VanDerWaalsContact C-N 3.25Å; I242-A244 PolarHBondContact O-N 2.96Å; I242-I245 WeakPolarHBondContact O-CA 3.5Å; I242-I245 WeakPolarHBondContact O-CB 3.39Å; I242-I245 PolarHBondContact O-N 2.83Å; I242-E246 PolarHBondContact O-N 2.62Å; I242-A252 HydrophobicContact CG2-CB 3.69Å; I242-P253 HydrophobicContact CD1-CG 4.06Å; I242-P272 HydrophobicContact CD1-CG 3.78Å; I242-L299 HydrophobicContact CD1-CD1 4.43Å; I242-L299 HydrophobicContact CD1-CD2 3.65Å; I242-L299 HydrophobicContact CG1-CD2 3.96Å
243	T	98.4	Very high	96	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.2	-35.8	177.1	-52.9	0	0	0	0	111.4	L174 K175 A176 I179 S239 F240 E246 L247	L174-T243 PolarHBondContact O-OG1 2.66Å; K175-T243 WeakPolarHBondContact CA-OG1 3.36Å; A176-T243 HydrophobicContact CB-CG2 4.43Å; I179-T243 HydrophobicContact CD1-CG2 3.61Å; S239-T243 WeakPolarHBondContact O-CB 3.5Å; S239-T243 PolarHBondContact O-N 2.88Å; S239-T243 PolarHBondContact O-OG1 3.2Å; F240-T243 PolarHBondContact O-N 3.16Å; T243-E246 WeakPolarHBondContact O-CB 3.44Å; T243-E246 PolarHBondContact O-N 2.83Å; T243-L247 WeakPolarHBondContact O-CG 3.49Å; T243-L247 PolarHBondContact O-N 2.92Å
244	A	98.7	Very high	95.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-63.7	-39.7	173	0	0	0	0	0	112.3	L154 F240 I242 A248 F291 L294 L295	L154-A244 HydrophobicContact CD1-CB 3.59Å; F240-A244 WeakPolarHBondContact O-CB 3.43Å; F240-A244 PolarHBondContact O-N 3.49Å; I242-A244 VanDerWaalsContact C-N 3.25Å; I242-A244 PolarHBondContact O-N 2.96Å; A244-A248 PolarHBondContact O-N 2.84Å; A244-F291 HydrophobicContact CB-CE2 4.12Å; A244-F291 HydrophobicContact CB-CZ 4.19Å; A244-F291 WeakPolarHBondContact O-CZ 3.34Å; A244-L294 HydrophobicContact CB-CD2 4.4Å; A244-L295 HydrophobicContact CB-CD2 3.57Å
245	I	98.4	Very high	95.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.9	-48.1	171.7	-64.4	171.1	0	0	0	110.2	G241 I242 L247 A248 T249 P253 L274 L295 L299	G241-I245 PolarHBondContact O-N 2.88Å; I242-I245 WeakPolarHBondContact O-CA 3.5Å; I242-I245 WeakPolarHBondContact O-CB 3.39Å; I242-I245 PolarHBondContact O-N 2.83Å; I245-L247 VanDerWaalsContact C-N 3.32Å; I245-L247 PolarHBondContact O-N 3.13Å; I245-A248 CarbonylContact O-C 3.6Å; I245-A248 WeakPolarHBondContact O-CA 3.09Å; I245-A248 WeakPolarHBondContact O-CB 3.17Å; I245-A248 PolarHBondContact O-N 2.79Å; I245-T249 HydrophobicContact CG2-CG2 3.7Å; I245-T249 PolarHBondContact O-N 3.36Å; I245-T249 PolarHBondContact O-OG1 2.93Å; I245-P253 HydrophobicContact CD1-CG 3.8Å; I245-P253 HydrophobicContact CG2-CG 4.12Å; I245-L274 HydrophobicContact CG1-CD1 4.48Å; I245-L274 HydrophobicContact CG2-CD1 4.3Å; I245-L295 HydrophobicContact CD1-CD1 4.49Å; I245-L295 HydrophobicContact CG1-CD1 3.89Å; I245-L295 HydrophobicContact CG1-CD2 3.87Å; I245-L299 HydrophobicContact CD1-CD1 3.65Å
246	E	97.7	Very high	95	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.019	8%	0.077	C	C	.	.	H	α-helix	trans	-53.1	-44.5	178.4	-179.1	-173	-167.1	0	0	112.6	I131 A176 W219 I242 T243 A248 G250	I131-E246 HydrophobicContact CD1-CG 4.03Å; A176-E246 HydrophobicContact CB-CG 3.99Å; A176-E246 VanDerWaalsContact CB-OE1 3.32Å; A176-E246 WeakPolarHBondContact CB-OE1 3.48Å; A176-E246 WeakPolarHBondContact CB-OE2 3.48Å; A176-E246 PolarHBondContact N-OE1 3.42Å; A176-E246 PolarHBondContact N-OE2 2.89Å; W219-E246 HydrophobicContact CZ2-CG 4.34Å; W219-E246 WeakPolarHBondContact CZ2-OE1 3.46Å; W219-E246 PolarHBondContact NE1-OE2 3.11Å; I242-E246 PolarHBondContact O-N 2.62Å; T243-E246 WeakPolarHBondContact O-CB 3.44Å; T243-E246 PolarHBondContact O-N 2.83Å; E246-A248 PolarHBondContact O-N 3.17Å; E246-G250 CarbonylContact O-C 3.59Å; E246-G250 WeakPolarHBondContact O-CA 3.25Å; E246-G250 PolarHBondContact O-N 3.38Å
247	L	97.9	Very high	94.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.7	-22.1	174.8	-70.2	175.9	0	0	0	113.8	M127 I131 L145 I150 I153 L154 A176 T243 I245	M127-L247 HydrophobicContact CB-CD2 3.9Å; M127-L247 HydrophobicContact CE-CD2 3.98Å; M127-L247 HydrophobicContact CG-CD2 4.25Å; I131-L247 HydrophobicContact CD1-CD2 4.31Å; L145-L247 WeakPolarHBondContact CB-O 3.48Å; L145-L247 HydrophobicContact CD1-CB 4.22Å; L145-L247 HydrophobicContact CD1-CD2 3.89Å; L145-L247 WeakPolarHBondContact CG-O 3.37Å; I150-L247 HydrophobicContact CD1-CB 4.46Å; I150-L247 HydrophobicContact CG1-CB 4.22Å; I150-L247 HydrophobicContact CG2-CD1 4.44Å; I153-L247 HydrophobicContact CG2-CD1 4.46Å; L154-L247 HydrophobicContact CD1-CD1 4.27Å; L154-L247 HydrophobicContact CD2-CD1 3.6Å; L154-L247 HydrophobicContact CG-CD1 3.8Å; A176-L247 HydrophobicContact CB-CD2 4.18Å; T243-L247 WeakPolarHBondContact O-CG 3.49Å; T243-L247 PolarHBondContact O-N 2.92Å; I245-L247 VanDerWaalsContact C-N 3.32Å; I245-L247 PolarHBondContact O-N 3.13Å
248	A	97.5	Very high	92.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-97.4	-36.2	-177.3	0	0	0	0	0	113.6	G143 V144 I150 A244 I245 E246 L274 Y287 F291	G143-A248 CarbonylContact C-O 3.56Å; G143-A248 WeakPolarHBondContact CA-O 3.24Å; V144-A248 PolarHBondContact N-O 3.36Å; I150-A248 HydrophobicContact CD1-CB 4.02Å; A244-A248 PolarHBondContact O-N 2.84Å; I245-A248 CarbonylContact O-C 3.6Å; I245-A248 WeakPolarHBondContact O-CA 3.09Å; I245-A248 WeakPolarHBondContact O-CB 3.17Å; I245-A248 PolarHBondContact O-N 2.79Å; E246-A248 PolarHBondContact O-N 3.17Å; A248-L274 HydrophobicContact CB-CD1 3.71Å; A248-Y287 VanDerWaalsContact CA-OH 3.27Å; A248-Y287 WeakPolarHBondContact CA-OH 3.11Å; A248-Y287 HydrophobicContact CB-CE1 3.87Å; A248-Y287 HydrophobicContact CB-CE2 3.99Å; A248-Y287 PolarHBondContact O-OH 3.35Å; A248-F291 HydrophobicContact CB-CE1 3.96Å; A248-F291 HydrophobicContact CB-CZ 4.15Å
249	T	95.3	Very high	91.3	Very high	29 Å²	29	26.7 Å²	26.7	18%	0.178	14%	0.144	C	C	.	.	H	α-helix	trans	-100.8	-25.8	-177	60.5	0	0	0	0	113.2	I245 A251 L274 V278 M284	I245-T249 HydrophobicContact CG2-CG2 3.7Å; I245-T249 PolarHBondContact O-N 3.36Å; I245-T249 PolarHBondContact O-OG1 2.93Å; T249-A251 PolarHBondContact OG1-N 2.75Å; T249-A251 VanDerWaalsContact OG1-N 3.13Å; T249-A251 PolarHBondContact OG1-O 2.84Å; T249-L274 HydrophobicContact CG2-CD1 3.95Å; T249-V278 HydrophobicContact CG2-CG2 3.58Å; T249-M284 HydrophobicContact CG2-CE 4.14Å; T249-M284 HydrophobicContact CG2-SD 3.85Å
250	G	93.7	Very high	89.7	Confident	16 Å²	16	32.2 Å²	32.2	17%	0.165	17%	0.171	C	C	.	.	S	Bend	trans	92.8	-4.3	-169.7	0	0	0	0	0	115.1	I131 E246	I131-G250 WeakPolarHBondContact CG2-O 3.27Å; E246-G250 CarbonylContact O-C 3.59Å; E246-G250 WeakPolarHBondContact O-CA 3.25Å; E246-G250 PolarHBondContact O-N 3.38Å
251	A	93.1	Very high	88.4	Confident	27 Å²	27	37 Å²	37	22%	0.223	19%	0.192	C	C	.	.	S	Bend	trans	-160.1	152.6	179	0	0	0	0	0	113.1	T249 H255	T249-A251 PolarHBondContact OG1-N 2.75Å; T249-A251 VanDerWaalsContact OG1-N 3.13Å; T249-A251 PolarHBondContact OG1-O 2.84Å; A251-H255 HydrophobicContact CB-CB 4.13Å; A251-H255 WeakPolarHBondContact CB-ND1 3.46Å
252	A	93.6	Very high	87.2	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.008	19%	0.192	C	C	.	.			trans	-62.2	153.1	175	0	0	0	0	0	112.5	C218 W219 I242 Y254 H255	C218-A252 HydrophobicContact CB-CB 3.49Å; C218-A252 VanDerWaalsContact CB-CB 3.49Å; W219-A252 HydrophobicContact CD2-CB 4.1Å; W219-A252 HydrophobicContact CE3-CB 4.19Å; W219-A252 HydrophobicContact CH2-CB 3.73Å; W219-A252 HydrophobicContact CZ2-CB 3.62Å; W219-A252 HydrophobicContact CZ3-CB 4.01Å; I242-A252 HydrophobicContact CG2-CB 3.69Å; A252-Y254 PolarHBondContact O-N 2.78Å; A252-H255 WeakPolarHBondContact O-CB 3.44Å; A252-H255 PolarHBondContact O-N 2.91Å; A252-H255 VanDerWaalsContact O-N 3.13Å; A252-H255 PolarHBondContact O-ND1 3.36Å
253	P	93.5	Very high	85.8	Confident	4 Å²	4	38 Å²	38	3%	0.026	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.3	-168.8	-30.1	35.3	0	0	0	116.9	I242 I245 P272 T276 G277	I242-P253 HydrophobicContact CD1-CG 4.06Å; I245-P253 HydrophobicContact CD1-CG 3.8Å; I245-P253 HydrophobicContact CG2-CG 4.12Å; P253-P272 HydrophobicContact CB-CB 3.66Å; P253-P272 HydrophobicContact CB-CG 4.35Å; P253-P272 HydrophobicContact CG-CB 3.68Å; P253-P272 HydrophobicContact CG-CG 4.04Å; P253-T276 VanDerWaalsContact CA-O 3.32Å; P253-T276 WeakPolarHBondContact CA-O 3.49Å; P253-T276 HydrophobicContact CB-CG2 3.86Å; P253-G277 VanDerWaalsContact O-CA 3.24Å; P253-G277 WeakPolarHBondContact O-CA 3.33Å
254	Y	88.1	Confident	84.4	Confident	20 Å²	20	42.8 Å²	42.8	8%	0.078	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	18.8	-174.7	-60.6	-41.5	0	0	0	113.7	A252 K256 Y257 V262 L265 T276	A252-Y254 PolarHBondContact O-N 2.78Å; Y254-K256 PolarHBondContact O-N 3.08Å; Y254-Y257 HydrophobicContact CD1-CD2 4.24Å; Y254-Y257 HydrophobicContact CD1-CE2 4.21Å; Y254-Y257 PolarHBondContact O-N 3.43Å; Y254-V262 HydrophobicContact CD2-CG1 4.44Å; Y254-L265 HydrophobicContact CD1-CD1 4.13Å; Y254-L265 HydrophobicContact CD2-CB 4.26Å; Y254-L265 HydrophobicContact CE1-CB 4.33Å; Y254-L265 HydrophobicContact CE1-CD1 4.4Å; Y254-L265 HydrophobicContact CE2-CB 3.99Å; Y254-L265 HydrophobicContact CG-CD1 4.39Å; Y254-T276 HydrophobicContact CD1-CG2 4.22Å; Y254-T276 HydrophobicContact CE1-CG2 3.52Å
255	H	84.9	Confident	83.4	Confident	87 Å²	87	44.5 Å²	44.5	40%	0.403	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-23	-177.6	68	-86.2	0	0	0	115.4	A251 A252 Y257	A251-H255 HydrophobicContact CB-CB 4.13Å; A251-H255 WeakPolarHBondContact CB-ND1 3.46Å; A252-H255 WeakPolarHBondContact O-CB 3.44Å; A252-H255 PolarHBondContact O-N 2.91Å; A252-H255 VanDerWaalsContact O-N 3.13Å; A252-H255 PolarHBondContact O-ND1 3.36Å; H255-Y257 VanDerWaalsContact C-N 3.25Å; H255-Y257 PolarHBondContact O-N 2.94Å
256	K	81.5	Confident	82.7	Confident	109 Å²	109	44.8 Å²	44.8	47%	0.474	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	1.6	178.2	-61.5	-176.6	177	166.5	0	114.1	Y254 E279	Y254-K256 PolarHBondContact O-N 3.08Å; K256-E279 IonicContact NZ-OE1 2.73Å; K256-E279 PolarHBondContact NZ-OE1 3.19Å
257	Y	75.7	Confident	81.8	Confident	101 Å²	101	47.2 Å²	47.2	40%	0.396	24%	0.244	S	C	.	.	S	Bend	trans	-122.3	144.6	-172.8	-58.6	-49.3	0	0	0	113.1	Y254 H255 K261 V262 L265	Y254-Y257 HydrophobicContact CD1-CD2 4.24Å; Y254-Y257 HydrophobicContact CD1-CE2 4.21Å; Y254-Y257 PolarHBondContact O-N 3.43Å; H255-Y257 VanDerWaalsContact C-N 3.25Å; H255-Y257 PolarHBondContact O-N 2.94Å; Y257-K261 HydrophobicContact CD1-CD 3.8Å; Y257-K261 HydrophobicContact CD1-CG 4.44Å; Y257-K261 HydrophobicContact CE1-CD 4.47Å; Y257-K261 HydrophobicContact CG-CD 4.02Å; Y257-K261 HydrophobicContact CG-CG 4.16Å; Y257-V262 VanDerWaalsContact O-CG2 3.28Å; Y257-V262 WeakPolarHBondContact O-CG2 3.33Å; Y257-L265 HydrophobicContact CD2-CD1 3.25Å; Y257-L265 HydrophobicContact CE2-CD1 3.46Å; Y257-L265 VanDerWaalsContact CE2-CD1 3.46Å; Y257-L265 HydrophobicContact CG-CD1 4.04Å
258	P	66.1	Low	81.1	Confident	88 Å²	88	53.9 Å²	53.9	57%	0.571	28%	0.275	S	S	*	.			trans	-61	154.5	172.9	-24.4	34.7	0	0	0	112.8	M260 K261 V262	P258-M260 VanDerWaalsContact C-N 3.34Å; P258-M260 PolarHBondContact O-N 2.83Å; P258-M260 VanDerWaalsContact O-N 3.14Å; P258-K261 WeakPolarHBondContact O-CA 3.38Å; P258-K261 WeakPolarHBondContact O-CB 3.5Å; P258-K261 PolarHBondContact O-N 3.3Å; P258-V262 PolarHBondContact O-N 2.84Å
259	P	70.6	Confident	80.7	Confident	68 Å²	68	57.3 Å²	57.3	44%	0.442	29%	0.294	S	S	.	.	H	α-helix	trans	-48.8	-45.5	-173.5	-31.8	36.3	0	0	0	115.5	P217 K261 V262 L263	P217-P259 HydrophobicContact CB-CB 4.44Å; P217-P259 HydrophobicContact CG-CB 4Å; P217-P259 HydrophobicContact CG-CG 4.21Å; P259-K261 VanDerWaalsContact C-N 3.27Å; P259-K261 PolarHBondContact O-N 2.85Å; P259-V262 WeakPolarHBondContact O-CB 3.43Å; P259-V262 PolarHBondContact O-N 3.28Å; P259-L263 WeakPolarHBondContact O-CB 3.27Å; P259-L263 PolarHBondContact O-N 3.23Å
260	M	63.2	Low	80.6	Confident	120 Å²	120	62.8 Å²	62.8	59%	0.591	32%	0.322	S	S	*	.	H	α-helix	trans	-64.5	-29.9	178.8	-66.7	-56.4	-63.3	0	0	113.3	P258 L263 M264	P258-M260 VanDerWaalsContact C-N 3.34Å; P258-M260 PolarHBondContact O-N 2.83Å; P258-M260 VanDerWaalsContact O-N 3.14Å; M260-L263 HydrophobicContact CE-CD2 3.81Å; M260-L263 WeakPolarHBondContact O-CB 3.41Å; M260-L263 HydrophobicContact SD-CD2 4.06Å; M260-M264 WeakPolarHBondContact O-CG 3.41Å; M260-M264 PolarHBondContact O-N 3.35Å; M260-M264 VanDerWaalsContact O-N 3.13Å
261	K	70.7	Confident	80.7	Confident	102 Å²	102	63.7 Å²	63.7	44%	0.443	33%	0.325	S	S	.	.	H	α-helix	trans	-80.2	-35.8	175.5	-176.5	169	179.5	172.9	0	111.5	Y257 P258 P259 L263 M264 L265	Y257-K261 HydrophobicContact CD1-CD 3.8Å; Y257-K261 HydrophobicContact CD1-CG 4.44Å; Y257-K261 HydrophobicContact CE1-CD 4.47Å; Y257-K261 HydrophobicContact CG-CD 4.02Å; Y257-K261 HydrophobicContact CG-CG 4.16Å; P258-K261 WeakPolarHBondContact O-CA 3.38Å; P258-K261 WeakPolarHBondContact O-CB 3.5Å; P258-K261 PolarHBondContact O-N 3.3Å; P259-K261 VanDerWaalsContact C-N 3.27Å; P259-K261 PolarHBondContact O-N 2.85Å; K261-L263 VanDerWaalsContact C-N 3.33Å; K261-M264 PolarHBondContact O-N 2.88Å; K261-L265 HydrophobicContact CG-CD1 3.96Å; K261-L265 HydrophobicContact CG-CG 4.32Å; K261-L265 WeakPolarHBondContact O-CB 3.32Å; K261-L265 WeakPolarHBondContact O-CD1 3.49Å; K261-L265 WeakPolarHBondContact O-CG 3.39Å; K261-L265 PolarHBondContact O-N 2.9Å
262	V	73.4	Confident	80.9	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	32%	0.317	C	S	.	.	H	α-helix	trans	-58.4	-46.6	169.8	177.4	0	0	0	0	110.6	P217 C218 Y254 Y257 P258 P259 L265 T266	P217-V262 HydrophobicContact CB-CB 4.4Å; P217-V262 HydrophobicContact CB-CG1 4.11Å; C218-V262 HydrophobicContact CB-CG1 4.26Å; Y254-V262 HydrophobicContact CD2-CG1 4.44Å; Y257-V262 VanDerWaalsContact O-CG2 3.28Å; Y257-V262 WeakPolarHBondContact O-CG2 3.33Å; P258-V262 PolarHBondContact O-N 2.84Å; P259-V262 WeakPolarHBondContact O-CB 3.43Å; P259-V262 PolarHBondContact O-N 3.28Å; V262-L265 PolarHBondContact O-N 3.33Å; V262-T266 VanDerWaalsContact O-CB 3.26Å; V262-T266 WeakPolarHBondContact O-CB 3.36Å; V262-T266 PolarHBondContact O-N 3.27Å; V262-T266 PolarHBondContact O-OG1 3.47Å
263	L	69.4	Low	81.1	Confident	22 Å²	22	66.2 Å²	66.2	12%	0.115	34%	0.337	C	S	.	.	H	α-helix	trans	-53.6	-57.2	173.4	166.3	63.4	0	0	0	111.7	F213 M225 P259 M260 K261 L265 T266 L267	F213-L263 HydrophobicContact CD2-CD2 4.16Å; F213-L263 HydrophobicContact CE2-CD1 3.93Å; F213-L263 HydrophobicContact CE2-CD2 3.85Å; F213-L263 HydrophobicContact CE2-CG 4.37Å; F213-L263 HydrophobicContact CZ-CD1 4.07Å; M225-L263 HydrophobicContact CB-CD1 3.59Å; M225-L263 HydrophobicContact CG-CD1 4.02Å; M225-L263 HydrophobicContact SD-CD1 3.69Å; P259-L263 WeakPolarHBondContact O-CB 3.27Å; P259-L263 PolarHBondContact O-N 3.23Å; M260-L263 HydrophobicContact CE-CD2 3.81Å; M260-L263 WeakPolarHBondContact O-CB 3.41Å; M260-L263 HydrophobicContact SD-CD2 4.06Å; K261-L263 VanDerWaalsContact C-N 3.33Å; L263-L265 PolarHBondContact O-N 3Å; L263-T266 PolarHBondContact O-N 3.16Å; L263-L267 HydrophobicContact CD1-CD1 3.67Å; L263-L267 HydrophobicContact CD1-CG 4.14Å; L263-L267 HydrophobicContact CG-CD1 4.48Å; L263-L267 WeakPolarHBondContact O-CG 3.44Å; L263-L267 PolarHBondContact O-N 3.11Å
264	M	69.4	Low	81.2	Confident	100 Å²	100	66.1 Å²	66.1	49%	0.493	34%	0.337	S	S	.	.	H	α-helix	trans	-58.4	-47.6	179.9	-73.1	-179.8	72.1	0	0	112.5	M260 K261 T266 L267 Q268	M260-M264 WeakPolarHBondContact O-CG 3.41Å; M260-M264 PolarHBondContact O-N 3.35Å; M260-M264 VanDerWaalsContact O-N 3.13Å; K261-M264 PolarHBondContact O-N 2.88Å; M264-T266 VanDerWaalsContact C-N 3.33Å; M264-T266 PolarHBondContact O-N 3.43Å; M264-L267 PolarHBondContact O-N 3.42Å; M264-Q268 VanDerWaalsContact O-CB 3.24Å; M264-Q268 WeakPolarHBondContact O-CB 3.38Å; M264-Q268 VanDerWaalsContact O-CG 3.29Å; M264-Q268 WeakPolarHBondContact O-CG 3.44Å; M264-Q268 PolarHBondContact O-N 3.25Å
265	L	78.1	Confident	81.5	Confident	35 Å²	35	67.2 Å²	67.2	18%	0.183	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-39.9	179.6	-67.2	168	0	0	0	112	Y254 Y257 K261 V262 L263 N269	Y254-L265 HydrophobicContact CD1-CD1 4.13Å; Y254-L265 HydrophobicContact CD2-CB 4.26Å; Y254-L265 HydrophobicContact CE1-CB 4.33Å; Y254-L265 HydrophobicContact CE1-CD1 4.4Å; Y254-L265 HydrophobicContact CE2-CB 3.99Å; Y254-L265 HydrophobicContact CG-CD1 4.39Å; Y257-L265 HydrophobicContact CD2-CD1 3.25Å; Y257-L265 HydrophobicContact CE2-CD1 3.46Å; Y257-L265 VanDerWaalsContact CE2-CD1 3.46Å; Y257-L265 HydrophobicContact CG-CD1 4.04Å; K261-L265 HydrophobicContact CG-CD1 3.96Å; K261-L265 HydrophobicContact CG-CG 4.32Å; K261-L265 WeakPolarHBondContact O-CB 3.32Å; K261-L265 WeakPolarHBondContact O-CD1 3.49Å; K261-L265 WeakPolarHBondContact O-CG 3.39Å; K261-L265 PolarHBondContact O-N 2.9Å; V262-L265 PolarHBondContact O-N 3.33Å; L263-L265 PolarHBondContact O-N 3Å; L265-N269 WeakPolarHBondContact CD2-ND2 3.38Å; L265-N269 VanDerWaalsContact O-CB 3.3Å; L265-N269 WeakPolarHBondContact O-CB 3.41Å; L265-N269 PolarHBondContact O-N 3.32Å; L265-N269 VanDerWaalsContact O-N 3.12Å; L265-N269 PolarHBondContact O-ND2 3.49Å
266	T	83.4	Confident	81.9	Confident	6 Å²	6	64.7 Å²	64.7	4%	0.037	33%	0.333	C	S	.	.	H	α-helix	trans	-70.3	-33.5	-179.3	-56.7	0	0	0	0	112.3	P222 M225 W238 V262 L263 M264 K301	P222-T266 HydrophobicContact CG-CG2 4.21Å; M225-T266 HydrophobicContact CE-CG2 3.77Å; M225-T266 HydrophobicContact SD-CG2 3.75Å; W238-T266 HydrophobicContact CZ2-CG2 3.86Å; V262-T266 VanDerWaalsContact O-CB 3.26Å; V262-T266 WeakPolarHBondContact O-CB 3.36Å; V262-T266 PolarHBondContact O-N 3.27Å; V262-T266 PolarHBondContact O-OG1 3.47Å; L263-T266 PolarHBondContact O-N 3.16Å; M264-T266 VanDerWaalsContact C-N 3.33Å; M264-T266 PolarHBondContact O-N 3.43Å; T266-K301 WeakPolarHBondContact O-CE 3.18Å; T266-K301 PolarHBondContact O-NZ 3.01Å
267	L	78.7	Confident	82.1	Confident	55 Å²	55	61 Å²	61	29%	0.288	33%	0.327	S	S	.	.	H	α-helix	trans	-79.2	-46.3	174.6	-66.3	-177.2	0	0	0	112.7	P222 M225 E226 L263 M264 K301	P222-L267 HydrophobicContact CB-CD2 3.98Å; M225-L267 HydrophobicContact CB-CD1 4.49Å; M225-L267 HydrophobicContact CB-CD2 4.06Å; M225-L267 HydrophobicContact CB-CG 4.44Å; M225-L267 HydrophobicContact SD-CG 4.46Å; E226-L267 HydrophobicContact CG-CD1 4.39Å; E226-L267 HydrophobicContact CG-CD2 3.76Å; L263-L267 HydrophobicContact CD1-CD1 3.67Å; L263-L267 HydrophobicContact CD1-CG 4.14Å; L263-L267 HydrophobicContact CG-CD1 4.48Å; L263-L267 WeakPolarHBondContact O-CG 3.44Å; L263-L267 PolarHBondContact O-N 3.11Å; M264-L267 PolarHBondContact O-N 3.42Å; L267-K301 PolarHBondContact O-NZ 2.99Å
268	Q	82.6	Confident	82.7	Confident	140 Å²	140	57.5 Å²	57.5	65%	0.654	32%	0.315	S	S	*	.	H	α-helix	trans	-85.4	-33.4	-167.2	-65	175.1	-22.8	0	0	114.7	M264	M264-Q268 VanDerWaalsContact O-CB 3.24Å; M264-Q268 WeakPolarHBondContact O-CB 3.38Å; M264-Q268 VanDerWaalsContact O-CG 3.29Å; M264-Q268 WeakPolarHBondContact O-CG 3.44Å; M264-Q268 PolarHBondContact O-N 3.25Å
269	N	88.9	Confident	83.6	Confident	73 Å²	73	61.1 Å²	61.1	39%	0.39	32%	0.324	S	S	.	.	S	Bend	trans	-89.1	171.8	-176.7	-59.2	-33.9	0	0	0	112.6	L265 K301	L265-N269 WeakPolarHBondContact CD2-ND2 3.38Å; L265-N269 VanDerWaalsContact O-CB 3.3Å; L265-N269 WeakPolarHBondContact O-CB 3.41Å; L265-N269 PolarHBondContact O-N 3.32Å; L265-N269 VanDerWaalsContact O-N 3.12Å; L265-N269 PolarHBondContact O-ND2 3.49Å; N269-K301 WeakPolarHBondContact O-CE 3.2Å; N269-K301 PolarHBondContact O-NZ 2.79Å
270	D	94	Very high	84.4	Confident	143 Å²	143	61.9 Å²	61.9	77%	0.765	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-56.7	154.2	161.3	-77	-50.7	0	0	0	112
271	P	95.9	Very high	85.6	Confident	36 Å²	36	62.8 Å²	62.8	23%	0.234	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-55.5	143.7	176.4	-24.4	34.1	0	0	0	113	W238 L299 K301	W238-P271 HydrophobicContact CH2-CB 4.02Å; W238-P271 HydrophobicContact CZ3-CB 4.11Å; W238-P271 HydrophobicContact CZ3-CG 4.46Å; P271-L299 HydrophobicContact CB-CB 4.14Å; P271-L299 WeakPolarHBondContact CB-O 3.48Å; P271-L299 WeakPolarHBondContact CG-O 3.44Å; P271-K301 HydrophobicContact CG-CD 4.24Å; P271-K301 HydrophobicContact CG-CG 4.19Å
272	P	96.6	Very high	86.3	Confident	8 Å²	8	63.3 Å²	63.3	5%	0.052	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-65.8	152.3	-176.5	25.9	-32.8	0	0	0	112.5	W238 I242 P253 T276 L299	W238-P272 HydrophobicContact CZ2-CG 4.36Å; I242-P272 HydrophobicContact CD1-CG 3.78Å; P253-P272 HydrophobicContact CB-CB 3.66Å; P253-P272 HydrophobicContact CB-CG 4.35Å; P253-P272 HydrophobicContact CG-CB 3.68Å; P253-P272 HydrophobicContact CG-CG 4.04Å; P272-T276 HydrophobicContact CB-CG2 4Å; P272-L299 HydrophobicContact CG-CD1 4.35Å; P272-L299 VanDerWaalsContact O-CD1 3.3Å; P272-L299 WeakPolarHBondContact O-CD1 3.46Å
273	T	97.3	Very high	86.9	Confident	72 Å²	72	65.1 Å²	65.1	44%	0.442	34%	0.338	S	S	.	.			trans	-117	172.2	178.9	58.1	0	0	0	0	110.6	E275 T276	T273-E275 PolarHBondContact O-N 3.3Å; T273-T276 PolarHBondContact N-OG1 2.95Å; T273-T276 WeakPolarHBondContact O-CB 3.29Å; T273-T276 PolarHBondContact O-N 3.28Å; T273-T276 PolarHBondContact O-OG1 3.41Å; T273-T276 PolarHBondContact OG1-OG1 2.74Å
274	L	96.3	Very high	88	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.016	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.7	178.5	-174.9	56.9	0	0	0	113.4	I245 A248 T249 T276 V278 M284 Y287 F291 L295	I245-L274 HydrophobicContact CG1-CD1 4.48Å; I245-L274 HydrophobicContact CG2-CD1 4.3Å; A248-L274 HydrophobicContact CB-CD1 3.71Å; T249-L274 HydrophobicContact CG2-CD1 3.95Å; L274-T276 VanDerWaalsContact C-N 3.3Å; L274-V278 WeakPolarHBondContact O-CG2 3.49Å; L274-M284 HydrophobicContact CD1-SD 3.84Å; L274-M284 HydrophobicContact CD2-CB 4.33Å; L274-M284 HydrophobicContact CD2-SD 4.29Å; L274-M284 HydrophobicContact CG-CB 4.23Å; L274-M284 HydrophobicContact CG-CG 4.09Å; L274-M284 HydrophobicContact CG-SD 3.78Å; L274-Y287 HydrophobicContact CD2-CD2 3.67Å; L274-Y287 HydrophobicContact CD2-CG 3.79Å; L274-F291 HydrophobicContact CD1-CE1 4.13Å; L274-F291 HydrophobicContact CD2-CD1 4.01Å; L274-F291 HydrophobicContact CD2-CE1 3.98Å; L274-L295 HydrophobicContact CB-CD1 3.89Å; L274-L295 HydrophobicContact CD1-CD1 4.42Å
275	E	95.2	Very high	88.9	Confident	43 Å²	43	65.9 Å²	65.9	20%	0.201	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-9.4	174	-72.2	62.7	-139.5	0	0	113.3	T273 G277 V278 K281 M284 R292	T273-E275 PolarHBondContact O-N 3.3Å; E275-G277 PolarHBondContact O-N 2.97Å; E275-V278 PolarHBondContact O-N 3.05Å; E275-K281 HydrophobicContact CB-CD 4.49Å; E275-K281 HydrophobicContact CB-CG 4.36Å; E275-K281 HydrophobicContact CG-CB 4.3Å; E275-K281 HydrophobicContact CG-CD 4.18Å; E275-K281 HydrophobicContact CG-CG 3.99Å; E275-M284 WeakPolarHBondContact OE1-CB 3.34Å; E275-R292 IonicContact OE1-CZ 2.62Å; E275-R292 IonicContact OE1-NH1 2.68Å; E275-R292 PolarHBondContact OE1-NH1 2.88Å; E275-R292 IonicContact OE1-NH2 3.92Å; E275-R292 PolarHBondContact OE1-NH2 2.71Å; E275-R292 IonicContact OE2-CZ 3.18Å; E275-R292 IonicContact OE2-NH1 2.76Å; E275-R292 PolarHBondContact OE2-NH1 2.83Å
276	T	92.6	Very high	89.6	Confident	34 Å²	34	68.5 Å²	68.5	21%	0.209	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	118.3	-176.2	-53.1	0	0	0	0	109.6	P253 Y254 P272 T273 L274	P253-T276 VanDerWaalsContact CA-O 3.32Å; P253-T276 WeakPolarHBondContact CA-O 3.49Å; P253-T276 HydrophobicContact CB-CG2 3.86Å; Y254-T276 HydrophobicContact CD1-CG2 4.22Å; Y254-T276 HydrophobicContact CE1-CG2 3.52Å; P272-T276 HydrophobicContact CB-CG2 4Å; T273-T276 PolarHBondContact N-OG1 2.95Å; T273-T276 WeakPolarHBondContact O-CB 3.29Å; T273-T276 PolarHBondContact O-N 3.28Å; T273-T276 PolarHBondContact O-OG1 3.41Å; T273-T276 PolarHBondContact OG1-OG1 2.74Å; L274-T276 VanDerWaalsContact C-N 3.3Å
277	G	85.4	Confident	90.2	Very high	32 Å²	32	68.4 Å²	68.4	33%	0.33	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-8.5	-175.4	0	0	0	0	0	114.8	P253 E275	P253-G277 VanDerWaalsContact O-CA 3.24Å; P253-G277 WeakPolarHBondContact O-CA 3.33Å; E275-G277 PolarHBondContact O-N 2.97Å
278	V	89.3	Confident	91	Very high	26 Å²	26	66.9 Å²	66.9	16%	0.158	35%	0.345	C	S	.	.			trans	-94.2	136.9	176.4	-167.9	0	0	0	0	109.8	T249 L274 E275 D280 M283 M284	T249-V278 HydrophobicContact CG2-CG2 3.58Å; L274-V278 WeakPolarHBondContact O-CG2 3.49Å; E275-V278 PolarHBondContact O-N 3.05Å; V278-D280 WeakPolarHBondContact CG1-O 3.39Å; V278-M283 HydrophobicContact CG1-SD 3.9Å; V278-M284 HydrophobicContact CG1-CE 4.26Å; V278-M284 HydrophobicContact CG1-CG 4.32Å; V278-M284 HydrophobicContact CG2-CE 4.33Å; V278-M284 HydrophobicContact CG2-CG 4.17Å; V278-M284 HydrophobicContact CG2-SD 4.41Å
279	E	84	Confident	91.7	Very high	164 Å²	164	69.3 Å²	69.3	77%	0.766	35%	0.353	S	S	*	.	S	Bend	trans	-83.3	-52.2	-179.7	-72	170.1	-165.1	0	0	111.8	K256	K256-E279 IonicContact NZ-OE1 2.73Å; K256-E279 PolarHBondContact NZ-OE1 3.19Å
280	D	86.9	Confident	92.2	Very high	85 Å²	85	67.5 Å²	67.5	46%	0.455	35%	0.346	S	S	.	.			trans	-93.8	117.9	171.9	175.5	21.4	0	0	0	111.5	V278 E282 M283	V278-D280 WeakPolarHBondContact CG1-O 3.39Å; D280-E282 WeakPolarHBondContact OD1-CB 3.38Å; D280-E282 PolarHBondContact OD1-N 2.97Å; D280-M283 HydrophobicContact CB-CG 3.86Å; D280-M283 HydrophobicContact CB-SD 4.09Å; D280-M283 WeakPolarHBondContact O-CB 3.42Å; D280-M283 VanDerWaalsContact O-CG 3.27Å; D280-M283 WeakPolarHBondContact O-CG 3.27Å
281	K	88.5	Confident	92.4	Very high	138 Å²	138	60.7 Å²	60.7	60%	0.6	31%	0.309	S	S	*	.	S	Bend	trans	-76.3	-20.5	-179.7	-63.6	-179.5	-178.9	175.8	0	113.1	E275 M283 M284	E275-K281 HydrophobicContact CB-CD 4.49Å; E275-K281 HydrophobicContact CB-CG 4.36Å; E275-K281 HydrophobicContact CG-CB 4.3Å; E275-K281 HydrophobicContact CG-CD 4.18Å; E275-K281 HydrophobicContact CG-CG 3.99Å; K281-M283 PolarHBondContact O-N 3.39Å; K281-M284 PolarHBondContact O-N 3.15Å; K281-M284 VanDerWaalsContact O-N 3.17Å
282	E	86.1	Confident	92.5	Very high	114 Å²	114	62.4 Å²	62.4	53%	0.533	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-65.9	-29.8	175.7	-72.7	-77.5	120.2	0	0	111.4	D280 M284 K285	D280-E282 WeakPolarHBondContact OD1-CB 3.38Å; D280-E282 PolarHBondContact OD1-N 2.97Å; E282-M284 PolarHBondContact O-N 3.16Å; E282-K285 WeakPolarHBondContact O-CB 3.25Å; E282-K285 PolarHBondContact O-N 2.87Å; E282-K285 WeakPolarHBondContact OE1-CD 3.41Å; E282-K285 IonicContact OE1-NZ 2.67Å; E282-K285 PolarHBondContact OE1-NZ 3.2Å; E282-K285 WeakPolarHBondContact OE2-CD 3.44Å; E282-K285 WeakPolarHBondContact OE2-CE 3.46Å; E282-K285 IonicContact OE2-NZ 2.72Å; E282-K285 PolarHBondContact OE2-NZ 3.14Å
283	M	85.9	Confident	92.6	Very high	38 Å²	38	67.2 Å²	67.2	19%	0.187	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-51.2	-33.2	171.5	-55.3	179.1	68.3	0	0	113	H140 K141 N142 V278 D280 K281	H140-M283 WeakPolarHBondContact O-CE 3.47Å; K141-M283 VanDerWaalsContact O-CG 3.3Å; K141-M283 WeakPolarHBondContact O-CG 3.4Å; N142-M283 CarbonylContact C-O 3.56Å; V278-M283 HydrophobicContact CG1-SD 3.9Å; D280-M283 HydrophobicContact CB-CG 3.86Å; D280-M283 HydrophobicContact CB-SD 4.09Å; D280-M283 WeakPolarHBondContact O-CB 3.42Å; D280-M283 VanDerWaalsContact O-CG 3.27Å; D280-M283 WeakPolarHBondContact O-CG 3.27Å; K281-M283 PolarHBondContact O-N 3.39Å
284	M	92.2	Very high	92.6	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.005	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-92.7	-0.3	-175.7	-62.3	-59.4	119.9	0	0	113.7	T249 L274 E275 V278 K281 E282 K286 Y287 R292	T249-M284 HydrophobicContact CG2-CE 4.14Å; T249-M284 HydrophobicContact CG2-SD 3.85Å; L274-M284 HydrophobicContact CD1-SD 3.84Å; L274-M284 HydrophobicContact CD2-CB 4.33Å; L274-M284 HydrophobicContact CD2-SD 4.29Å; L274-M284 HydrophobicContact CG-CB 4.23Å; L274-M284 HydrophobicContact CG-CG 4.09Å; L274-M284 HydrophobicContact CG-SD 3.78Å; E275-M284 WeakPolarHBondContact OE1-CB 3.34Å; V278-M284 HydrophobicContact CG1-CE 4.26Å; V278-M284 HydrophobicContact CG1-CG 4.32Å; V278-M284 HydrophobicContact CG2-CE 4.33Å; V278-M284 HydrophobicContact CG2-CG 4.17Å; V278-M284 HydrophobicContact CG2-SD 4.41Å; K281-M284 PolarHBondContact O-N 3.15Å; K281-M284 VanDerWaalsContact O-N 3.17Å; E282-M284 PolarHBondContact O-N 3.16Å; M284-K286 VanDerWaalsContact C-N 3.29Å; M284-K286 PolarHBondContact O-N 3.05Å; M284-Y287 HydrophobicContact CB-CD2 4.34Å; M284-Y287 HydrophobicContact CE-CE2 4.22Å; M284-Y287 WeakPolarHBondContact O-CD2 3.46Å; M284-Y287 PolarHBondContact O-N 3Å; M284-Y287 HydrophobicContact SD-CD2 3.86Å; M284-Y287 HydrophobicContact SD-CE2 3.58Å; M284-Y287 VanDerWaalsContact SD-CE2 3.58Å; M284-R292 PolarHBondContact O-NH2 3.47Å
285	K	89.3	Confident	92.7	Very high	138 Å²	138	63.9 Å²	63.9	60%	0.6	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.9	-174.4	-167.5	166	-174.8	164.4	0	114	E282 Y287	E282-K285 WeakPolarHBondContact O-CB 3.25Å; E282-K285 PolarHBondContact O-N 2.87Å; E282-K285 WeakPolarHBondContact OE1-CD 3.41Å; E282-K285 IonicContact OE1-NZ 2.67Å; E282-K285 PolarHBondContact OE1-NZ 3.2Å; E282-K285 WeakPolarHBondContact OE2-CD 3.44Å; E282-K285 WeakPolarHBondContact OE2-CE 3.46Å; E282-K285 IonicContact OE2-NZ 2.72Å; E282-K285 PolarHBondContact OE2-NZ 3.14Å; K285-Y287 VanDerWaalsContact C-N 3.26Å; K285-Y287 PolarHBondContact O-N 2.88Å
286	K	91.6	Very high	92.9	Very high	89 Å²	89	64.3 Å²	64.3	39%	0.387	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-23.6	176	76.5	170.9	-176.1	-163.3	0	113.7	N142 G143 L145 M284 G288	N142-K286 WeakPolarHBondContact O-CD 3.37Å; N142-K286 WeakPolarHBondContact O-CE 3.32Å; N142-K286 PolarHBondContact O-NZ 3.34Å; G143-K286 PolarHBondContact O-NZ 2.97Å; L145-K286 WeakPolarHBondContact O-CE 3.41Å; L145-K286 PolarHBondContact O-NZ 3.08Å; M284-K286 VanDerWaalsContact C-N 3.29Å; M284-K286 PolarHBondContact O-N 3.05Å; K286-G288 PolarHBondContact O-N 3.12Å
287	Y	96.6	Very high	93.2	Very high	4 Å²	4	65 Å²	65	2%	0.016	32%	0.321	C	S	.	.	S	Bend	trans	-84.1	116.7	-171.9	-61.8	-72.9	0	0	0	111.7	G143 L145 E147 I150 A248 L274 M284 K285 F291 R292	G143-Y287 WeakPolarHBondContact CA-OH 3.39Å; L145-Y287 WeakPolarHBondContact O-CE1 3.31Å; L145-Y287 PolarHBondContact O-OH 3.01Å; E147-Y287 HydrophobicContact CG-CD1 3.85Å; I150-Y287 HydrophobicContact CD1-CE1 3.82Å; A248-Y287 VanDerWaalsContact CA-OH 3.27Å; A248-Y287 WeakPolarHBondContact CA-OH 3.11Å; A248-Y287 HydrophobicContact CB-CE1 3.87Å; A248-Y287 HydrophobicContact CB-CE2 3.99Å; A248-Y287 PolarHBondContact O-OH 3.35Å; L274-Y287 HydrophobicContact CD2-CD2 3.67Å; L274-Y287 HydrophobicContact CD2-CG 3.79Å; M284-Y287 HydrophobicContact CB-CD2 4.34Å; M284-Y287 HydrophobicContact CE-CE2 4.22Å; M284-Y287 WeakPolarHBondContact O-CD2 3.46Å; M284-Y287 PolarHBondContact O-N 3Å; M284-Y287 HydrophobicContact SD-CD2 3.86Å; M284-Y287 HydrophobicContact SD-CE2 3.58Å; M284-Y287 VanDerWaalsContact SD-CE2 3.58Å; K285-Y287 VanDerWaalsContact C-N 3.26Å; K285-Y287 PolarHBondContact O-N 2.88Å; Y287-F291 HydrophobicContact CD1-CD1 4.16Å; Y287-F291 HydrophobicContact CD1-CE1 4.22Å; Y287-F291 HydrophobicContact CG-CD1 4.28Å; Y287-F291 HydrophobicContact CG-CE1 4.47Å; Y287-R292 PolarHBondContact O-NE 3.45Å
288	G	96.5	Very high	93.8	Very high	23 Å²	23	63.5 Å²	63.5	24%	0.237	31%	0.305	C	S	.	.			trans	-71.9	164.6	-168.9	0	0	0	0	0	115.5	E147 K286 S290 F291 R292	E147-G288 PolarHBondContact OE1-N 2.9Å; K286-G288 PolarHBondContact O-N 3.12Å; G288-S290 PolarHBondContact O-N 2.86Å; G288-S290 VanDerWaalsContact O-N 3.08Å; G288-F291 PolarHBondContact O-N 3.2Å; G288-R292 PolarHBondContact O-N 2.89Å
289	K	97.3	Very high	94.2	Very high	192 Å²	192	62.5 Å²	62.5	84%	0.835	30%	0.299	S	S	*	.	H	α-helix	trans	-54.6	-29	176.9	-64.7	-175.8	-179.8	-179	0	113.2	K293	K289-K293 WeakPolarHBondContact O-CB 3.5Å; K289-K293 PolarHBondContact O-N 2.65Å
290	S	98.1	Very high	94.8	Very high	34 Å²	34	57 Å²	57	24%	0.238	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-43.7	175	50.9	0	0	0	0	113.2	G288 K293 L294 K320	G288-S290 PolarHBondContact O-N 2.86Å; G288-S290 VanDerWaalsContact O-N 3.08Å; S290-K293 PolarHBondContact O-N 2.66Å; S290-L294 PolarHBondContact O-N 3.38Å; S290-L294 VanDerWaalsContact O-N 3.08Å; S290-K320 PolarHBondContact OG-NZ 3.21Å
291	F	98.5	Very high	95	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-70.3	-46.5	179.3	-177.4	-121.6	0	0	0	110.8	E147 I150 A244 A248 L274 Y287 G288 K293 L294 L295 F317	E147-F291 WeakPolarHBondContact OE1-CB 3.31Å; I150-F291 HydrophobicContact CD1-CZ 4.49Å; I150-F291 HydrophobicContact CG2-CE2 3.81Å; I150-F291 HydrophobicContact CG2-CZ 4.22Å; A244-F291 HydrophobicContact CB-CE2 4.12Å; A244-F291 HydrophobicContact CB-CZ 4.19Å; A244-F291 WeakPolarHBondContact O-CZ 3.34Å; A248-F291 HydrophobicContact CB-CE1 3.96Å; A248-F291 HydrophobicContact CB-CZ 4.15Å; L274-F291 HydrophobicContact CD1-CE1 4.13Å; L274-F291 HydrophobicContact CD2-CD1 4.01Å; L274-F291 HydrophobicContact CD2-CE1 3.98Å; Y287-F291 HydrophobicContact CD1-CD1 4.16Å; Y287-F291 HydrophobicContact CD1-CE1 4.22Å; Y287-F291 HydrophobicContact CG-CD1 4.28Å; Y287-F291 HydrophobicContact CG-CE1 4.47Å; G288-F291 PolarHBondContact O-N 3.2Å; F291-K293 PolarHBondContact O-N 2.91Å; F291-L294 HydrophobicContact CD2-CD2 4.46Å; F291-L294 HydrophobicContact CE2-CD2 4.49Å; F291-L294 WeakPolarHBondContact O-CA 3.46Å; F291-L294 WeakPolarHBondContact O-CB 3.3Å; F291-L294 PolarHBondContact O-N 3.08Å; F291-L295 HydrophobicContact CD1-CD1 4.24Å; F291-L295 HydrophobicContact CE1-CD1 4.02Å; F291-L295 HydrophobicContact CZ-CD1 4.46Å; F291-L295 HydrophobicContact CZ-CD2 4.36Å; F291-L295 WeakPolarHBondContact O-CG 3.49Å; F291-L295 PolarHBondContact O-N 3.08Å; F291-F317 HydrophobicContact CB-CD2 3.73Å; F291-F317 HydrophobicContact CB-CE2 3.64Å; F291-F317 HydrophobicContact CB-CZ 4.45Å; F291-F317 HydrophobicContact CD2-CD1 4.27Å; F291-F317 AromaticContact CD2-CD2 3.92Å; F291-F317 HydrophobicContact CD2-CD2 3.92Å; F291-F317 AromaticContact CD2-CE1 3.79Å; F291-F317 HydrophobicContact CD2-CE1 3.79Å; F291-F317 AromaticContact CD2-CE2 3.41Å; F291-F317 HydrophobicContact CD2-CE2 3.41Å; F291-F317 VanDerWaalsContact CD2-CE2 3.41Å; F291-F317 HydrophobicContact CD2-CG 4.32Å; F291-F317 AromaticContact CD2-CZ 3.34Å; F291-F317 HydrophobicContact CD2-CZ 3.34Å; F291-F317 HydrophobicContact CE2-CE1 4.14Å; F291-F317 HydrophobicContact CE2-CE2 4.32Å; F291-F317 AromaticContact CE2-CZ 3.82Å; F291-F317 HydrophobicContact CE2-CZ 3.82Å; F291-F317 HydrophobicContact CG-CD2 4.29Å; F291-F317 AromaticContact CG-CE2 3.83Å; F291-F317 HydrophobicContact CG-CE2 3.83Å; F291-F317 HydrophobicContact CG-CZ 4.18Å
292	R	98.3	Very high	95.2	Very high	73 Å²	73	52.1 Å²	52.1	28%	0.275	25%	0.251	S	S	.	.	H	α-helix	trans	-58.4	-35.5	174.8	-63.6	165.6	176.2	-79.8	-1.1	112	E275 M284 Y287 G288 S296	E275-R292 IonicContact OE1-CZ 2.62Å; E275-R292 IonicContact OE1-NH1 2.68Å; E275-R292 PolarHBondContact OE1-NH1 2.88Å; E275-R292 IonicContact OE1-NH2 3.92Å; E275-R292 PolarHBondContact OE1-NH2 2.71Å; E275-R292 IonicContact OE2-CZ 3.18Å; E275-R292 IonicContact OE2-NH1 2.76Å; E275-R292 PolarHBondContact OE2-NH1 2.83Å; M284-R292 PolarHBondContact O-NH2 3.47Å; Y287-R292 PolarHBondContact O-NE 3.45Å; G288-R292 PolarHBondContact O-N 2.89Å; R292-S296 PolarHBondContact O-N 2.71Å; R292-S296 VanDerWaalsContact O-N 3.14Å; R292-S296 PolarHBondContact O-OG 2.93Å
293	K	97.9	Very high	95.5	Very high	108 Å²	108	48.3 Å²	48.3	47%	0.47	24%	0.236	S	C	.	.	H	α-helix	trans	-69.2	-39.7	172.8	-176.4	59.4	-161	152.8	0	112.6	K289 S290 F291 S296 L297	K289-K293 WeakPolarHBondContact O-CB 3.5Å; K289-K293 PolarHBondContact O-N 2.65Å; S290-K293 PolarHBondContact O-N 2.66Å; F291-K293 PolarHBondContact O-N 2.91Å; K293-S296 WeakPolarHBondContact CA-OG 3.3Å; K293-S296 PolarHBondContact O-N 2.65Å; K293-S296 PolarHBondContact O-OG 2.91Å; K293-L297 WeakPolarHBondContact O-CG 3.31Å; K293-L297 PolarHBondContact O-N 3.46Å
294	L	98.6	Very high	95.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.6	-47.1	171.8	170.6	147.4	0	0	0	111.5	F240 A244 S290 F291 S296 L297 C298 L312 F317 F318	F240-L294 HydrophobicContact CE1-CD2 4.29Å; A244-L294 HydrophobicContact CB-CD2 4.4Å; S290-L294 PolarHBondContact O-N 3.38Å; S290-L294 VanDerWaalsContact O-N 3.08Å; F291-L294 HydrophobicContact CD2-CD2 4.46Å; F291-L294 HydrophobicContact CE2-CD2 4.49Å; F291-L294 WeakPolarHBondContact O-CA 3.46Å; F291-L294 WeakPolarHBondContact O-CB 3.3Å; F291-L294 PolarHBondContact O-N 3.08Å; L294-S296 PolarHBondContact O-N 3.27Å; L294-L297 WeakPolarHBondContact O-CB 3.12Å; L294-L297 PolarHBondContact O-N 3.31Å; L294-C298 PolarHBondContact O-N 3.13Å; L294-C298 PolarHBondContact O-SG 2.92Å; L294-L312 HydrophobicContact CD1-CD1 4.15Å; L294-L312 HydrophobicContact CD1-CG 4.39Å; L294-L312 HydrophobicContact CG-CD1 4.12Å; L294-F317 HydrophobicContact CD1-CB 4.21Å; L294-F317 HydrophobicContact CD1-CD1 3.84Å; L294-F317 HydrophobicContact CD1-CG 4.32Å; L294-F318 HydrophobicContact CD1-CD2 4.48Å; L294-F318 HydrophobicContact CD1-CE1 4.49Å; L294-F318 HydrophobicContact CD1-CE2 3.47Å; L294-F318 VanDerWaalsContact CD1-CE2 3.47Å; L294-F318 HydrophobicContact CD1-CZ 3.47Å; L294-F318 VanDerWaalsContact CD1-CZ 3.47Å
295	L	98.6	Very high	96.1	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-56.5	-48.5	177.2	-64.7	179.1	0	0	0	111.6	G241 A244 I245 L274 F291 L297 C298 L299	G241-L295 WeakPolarHBondContact O-CD2 3.22Å; A244-L295 HydrophobicContact CB-CD2 3.57Å; I245-L295 HydrophobicContact CD1-CD1 4.49Å; I245-L295 HydrophobicContact CG1-CD1 3.89Å; I245-L295 HydrophobicContact CG1-CD2 3.87Å; L274-L295 HydrophobicContact CB-CD1 3.89Å; L274-L295 HydrophobicContact CD1-CD1 4.42Å; F291-L295 HydrophobicContact CD1-CD1 4.24Å; F291-L295 HydrophobicContact CE1-CD1 4.02Å; F291-L295 HydrophobicContact CZ-CD1 4.46Å; F291-L295 HydrophobicContact CZ-CD2 4.36Å; F291-L295 WeakPolarHBondContact O-CG 3.49Å; F291-L295 PolarHBondContact O-N 3.08Å; L295-L297 PolarHBondContact O-N 2.9Å; L295-C298 PolarHBondContact O-N 2.78Å; L295-C298 VanDerWaalsContact O-N 3.13Å; L295-L299 HydrophobicContact CB-CD1 4.49Å; L295-L299 WeakPolarHBondContact O-CB 3.47Å; L295-L299 PolarHBondContact O-N 3.13Å
296	S	98.3	Very high	96.5	Very high	52 Å²	52	50 Å²	50	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-69.7	-6.9	177.1	61.9	0	0	0	0	115.9	R292 K293 L294 Q300	R292-S296 PolarHBondContact O-N 2.71Å; R292-S296 VanDerWaalsContact O-N 3.14Å; R292-S296 PolarHBondContact O-OG 2.93Å; K293-S296 WeakPolarHBondContact CA-OG 3.3Å; K293-S296 PolarHBondContact O-N 2.65Å; K293-S296 PolarHBondContact O-OG 2.91Å; L294-S296 PolarHBondContact O-N 3.27Å; S296-Q300 PolarHBondContact O-NE2 2.98Å
297	L	98.4	Very high	96.8	Very high	48 Å²	48	46.5 Å²	46.5	25%	0.251	24%	0.239	S	C	.	.	H	α-helix	trans	-88.6	-36.6	168.1	-69.9	169.7	0	0	0	111	K293 L294 L295 P307	K293-L297 WeakPolarHBondContact O-CG 3.31Å; K293-L297 PolarHBondContact O-N 3.46Å; L294-L297 WeakPolarHBondContact O-CB 3.12Å; L294-L297 PolarHBondContact O-N 3.31Å; L295-L297 PolarHBondContact O-N 2.9Å; L297-P307 HydrophobicContact CB-CG 4.09Å; L297-P307 WeakPolarHBondContact O-CD 3.37Å
298	C	98.4	Very high	96.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-73.6	-47.8	177.9	-56.7	0	0	0	0	112	M237 L294 L295 Q300 R306 L312	M237-C298 VanDerWaalsContact O-CB 3.3Å; M237-C298 WeakPolarHBondContact O-CB 3.12Å; L294-C298 PolarHBondContact O-N 3.13Å; L294-C298 PolarHBondContact O-SG 2.92Å; L295-C298 PolarHBondContact O-N 2.78Å; L295-C298 VanDerWaalsContact O-N 3.13Å; C298-Q300 PolarHBondContact O-N 2.82Å; C298-Q300 VanDerWaalsContact O-N 3.15Å; C298-R306 VanDerWaalsContact O-CD 3.3Å; C298-R306 WeakPolarHBondContact O-CD 3.49Å; C298-R306 WeakPolarHBondContact O-CG 3.24Å; C298-L312 VanDerWaalsContact SG-CD2 3.51Å
299	L	98.2	Very high	97	Very high	6 Å²	6	47 Å²	47	3%	0.031	24%	0.238	C	C	.	.			trans	-92.3	74.8	-169.8	-59.5	173.2	0	0	0	110.3	W238 I242 I245 P271 P272 L295	W238-L299 HydrophobicContact CD2-CD2 3.74Å; W238-L299 HydrophobicContact CE3-CB 4.39Å; W238-L299 HydrophobicContact CE3-CD2 4.01Å; W238-L299 HydrophobicContact CG-CD2 4.1Å; W238-L299 HydrophobicContact CZ2-CD2 4.29Å; W238-L299 HydrophobicContact CZ3-CB 4.26Å; W238-L299 HydrophobicContact CZ3-CD2 4.4Å; I242-L299 HydrophobicContact CD1-CD1 4.43Å; I242-L299 HydrophobicContact CD1-CD2 3.65Å; I242-L299 HydrophobicContact CG1-CD2 3.96Å; I245-L299 HydrophobicContact CD1-CD1 3.65Å; P271-L299 HydrophobicContact CB-CB 4.14Å; P271-L299 WeakPolarHBondContact CB-O 3.48Å; P271-L299 WeakPolarHBondContact CG-O 3.44Å; P272-L299 HydrophobicContact CG-CD1 4.35Å; P272-L299 VanDerWaalsContact O-CD1 3.3Å; P272-L299 WeakPolarHBondContact O-CD1 3.46Å; L295-L299 HydrophobicContact CB-CD1 4.49Å; L295-L299 WeakPolarHBondContact O-CB 3.47Å; L295-L299 PolarHBondContact O-N 3.13Å
300	Q	96.9	Very high	97	Very high	47 Å²	47	39.4 Å²	39.4	22%	0.22	21%	0.211	C	C	.	.			trans	-127	136.6	172.2	-60.2	-169.1	27.3	0	0	109.8	S296 C298 D302 R306	S296-Q300 PolarHBondContact O-NE2 2.98Å; C298-Q300 PolarHBondContact O-N 2.82Å; C298-Q300 VanDerWaalsContact O-N 3.15Å; Q300-D302 VanDerWaalsContact C-N 3.32Å; Q300-D302 PolarHBondContact O-N 2.83Å; Q300-R306 HydrophobicContact CB-CG 4.41Å; Q300-R306 PolarHBondContact O-NE 3.24Å; Q300-R306 PolarHBondContact O-NH2 3.25Å
301	K	91.1	Very high	97	Very high	65 Å²	65	42.6 Å²	42.6	28%	0.283	22%	0.222	S	C	.	.	S	Bend	trans	-58.1	-46.4	-178.8	-59	-55.4	-171.7	86.4	0	111.3	P222 W238 T266 L267 N269 P271 P303 R306	P222-K301 HydrophobicContact CB-CD 4.22Å; P222-K301 HydrophobicContact CG-CD 3.56Å; W238-K301 HydrophobicContact CH2-CD 4.22Å; W238-K301 HydrophobicContact CZ3-CD 4.3Å; T266-K301 WeakPolarHBondContact O-CE 3.18Å; T266-K301 PolarHBondContact O-NZ 3.01Å; L267-K301 PolarHBondContact O-NZ 2.99Å; N269-K301 WeakPolarHBondContact O-CE 3.2Å; N269-K301 PolarHBondContact O-NZ 2.79Å; P271-K301 HydrophobicContact CG-CD 4.24Å; P271-K301 HydrophobicContact CG-CG 4.19Å; K301-P303 VanDerWaalsContact O-CD 3.31Å; K301-P303 WeakPolarHBondContact O-CD 3.49Å; K301-R306 PolarHBondContact O-NH2 2.98Å
302	D	92.7	Very high	97	Very high	57 Å²	57	42.7 Å²	42.7	31%	0.305	22%	0.223	S	C	.	.	S	Bend	trans	-70.5	114.7	175.3	-177.1	-18.2	0	0	0	111.6	Q300 S304 K305	Q300-D302 VanDerWaalsContact C-N 3.32Å; Q300-D302 PolarHBondContact O-N 2.83Å; D302-S304 VanDerWaalsContact C-N 3.28Å; D302-S304 VanDerWaalsContact CG-OG 3.26Å; D302-S304 PolarHBondContact O-N 3.18Å; D302-S304 VanDerWaalsContact OD1-CB 3.27Å; D302-S304 WeakPolarHBondContact OD1-CB 3.47Å; D302-S304 PolarHBondContact OD1-N 3.42Å; D302-S304 PolarHBondContact OD1-OG 2.89Å; D302-S304 PolarHBondContact OD2-OG 2.93Å; D302-K305 HydrophobicContact CB-CD 4.2Å; D302-K305 HydrophobicContact CB-CG 4.19Å; D302-K305 PolarHBondContact O-N 3.22Å; D302-K305 IonicContact OD2-NZ 2.83Å; D302-K305 PolarHBondContact OD2-NZ 2.83Å
303	P	91.9	Very high	97	Very high	33 Å²	33	41 Å²	41	21%	0.214	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-69	-24	-178.7	-16.8	31.2	0	0	0	113.5	E223 K234 K301 K305 R306	E223-P303 HydrophobicContact CB-CG 4.16Å; E223-P303 HydrophobicContact CG-CG 3.77Å; K234-P303 HydrophobicContact CB-CB 3.79Å; K234-P303 HydrophobicContact CG-CB 4.38Å; K234-P303 WeakPolarHBondContact CG-O 3.35Å; K234-P303 PolarHBondContact NZ-O 2.76Å; K301-P303 VanDerWaalsContact O-CD 3.31Å; K301-P303 WeakPolarHBondContact O-CD 3.49Å; P303-K305 VanDerWaalsContact C-N 3.26Å; P303-K305 PolarHBondContact O-N 3.08Å; P303-R306 PolarHBondContact O-N 2.64Å
304	S	93.5	Very high	97	Very high	86 Å²	86	43.7 Å²	43.7	60%	0.601	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-64.1	-35.5	179.7	72.8	0	0	0	0	111.6	K234 D302	K234-S304 PolarHBondContact NZ-O 2.61Å; D302-S304 VanDerWaalsContact C-N 3.28Å; D302-S304 VanDerWaalsContact CG-OG 3.26Å; D302-S304 PolarHBondContact O-N 3.18Å; D302-S304 VanDerWaalsContact OD1-CB 3.27Å; D302-S304 WeakPolarHBondContact OD1-CB 3.47Å; D302-S304 PolarHBondContact OD1-N 3.42Å; D302-S304 PolarHBondContact OD1-OG 2.89Å; D302-S304 PolarHBondContact OD2-OG 2.93Å
305	K	97.4	Very high	96.9	Very high	126 Å²	126	45 Å²	45	55%	0.548	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-79.5	-13.8	-178.6	-59.8	-174.2	175.4	87.3	0	114.6	D302 P303	D302-K305 HydrophobicContact CB-CD 4.2Å; D302-K305 HydrophobicContact CB-CG 4.19Å; D302-K305 PolarHBondContact O-N 3.22Å; D302-K305 IonicContact OD2-NZ 2.83Å; D302-K305 PolarHBondContact OD2-NZ 2.83Å; P303-K305 VanDerWaalsContact C-N 3.26Å; P303-K305 PolarHBondContact O-N 3.08Å
306	R	98.1	Very high	96.8	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.008	27%	0.271	C	S	.	.	S	Bend	trans	-71.8	134.1	173.8	-57.3	-179.1	-159.9	145.2	10.9	109.2	E223 K234 M237 C298 Q300 K301 P303	E223-R306 IonicContact OE1-CZ 2.8Å; E223-R306 IonicContact OE1-NH1 3.7Å; E223-R306 PolarHBondContact OE1-NH1 3.29Å; E223-R306 IonicContact OE1-NH2 3.15Å; E223-R306 IonicContact OE2-CZ 2.63Å; E223-R306 IonicContact OE2-NH1 3.79Å; E223-R306 PolarHBondContact OE2-NH1 3.17Å; E223-R306 IonicContact OE2-NH2 3.25Å; E223-R306 PolarHBondContact OE2-NH2 3.35Å; K234-R306 HydrophobicContact CD-CB 4.46Å; K234-R306 WeakPolarHBondContact CE-O 3.4Å; K234-R306 PolarHBondContact NZ-O 3.21Å; K234-R306 WeakPolarHBondContact O-CD 3.41Å; K234-R306 PolarHBondContact O-NH1 2.8Å; M237-R306 HydrophobicContact CB-CB 4.42Å; C298-R306 VanDerWaalsContact O-CD 3.3Å; C298-R306 WeakPolarHBondContact O-CD 3.49Å; C298-R306 WeakPolarHBondContact O-CG 3.24Å; Q300-R306 HydrophobicContact CB-CG 4.41Å; Q300-R306 PolarHBondContact O-NE 3.24Å; Q300-R306 PolarHBondContact O-NH2 3.25Å; K301-R306 PolarHBondContact O-NH2 2.98Å; P303-R306 PolarHBondContact O-N 2.64Å
307	P	98.3	Very high	96.8	Very high	15 Å²	15	49.9 Å²	49.9	10%	0.097	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-68.1	160	177.6	30.2	-34.9	0	0	0	111.5	L297 E311 L312	L297-P307 HydrophobicContact CB-CG 4.09Å; L297-P307 WeakPolarHBondContact O-CD 3.37Å; P307-E311 WeakPolarHBondContact CA-OE2 3.4Å; P307-E311 HydrophobicContact CB-CB 3.85Å; P307-E311 WeakPolarHBondContact CB-OE2 3.05Å; P307-L312 HydrophobicContact CG-CB 4.2Å; P307-L312 HydrophobicContact CG-CD1 4.03Å; P307-L312 HydrophobicContact CG-CD2 4.49Å; P307-L312 HydrophobicContact CG-CG 4.47Å
308	T	98.4	Very high	96.8	Very high	35 Å²	35	48.4 Å²	48.4	22%	0.215	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-71.3	165	165.4	64.2	0	0	0	0	111.3	F233 E311 L312	F233-T308 HydrophobicContact CE2-CG2 4.2Å; T308-E311 WeakPolarHBondContact CB-OE1 3.21Å; T308-E311 VanDerWaalsContact CG2-OE1 3.25Å; T308-E311 WeakPolarHBondContact CG2-OE1 3.3Å; T308-E311 PolarHBondContact N-OE2 3.07Å; T308-E311 WeakPolarHBondContact O-CB 3.4Å; T308-E311 PolarHBondContact O-N 3Å; T308-E311 VanDerWaalsContact OG1-CG 3.31Å; T308-E311 WeakPolarHBondContact OG1-CG 3.26Å; T308-E311 PolarHBondContact OG1-N 2.87Å; T308-E311 PolarHBondContact OG1-OE1 3.37Å; T308-L312 WeakPolarHBondContact O-CB 3.46Å; T308-L312 PolarHBondContact O-N 2.97Å
309	A	98.3	Very high	96.8	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-45.5	175.1	0	0	0	0	0	112.2	L158 L161 D162 M237 E311 L312 L313	L158-A309 HydrophobicContact CD2-CB 4.04Å; L161-A309 HydrophobicContact CB-CB 4.25Å; D162-A309 HydrophobicContact CB-CB 3.72Å; M237-A309 HydrophobicContact CE-CB 4.4Å; M237-A309 HydrophobicContact SD-CB 4.19Å; A309-E311 VanDerWaalsContact C-N 3.28Å; A309-E311 PolarHBondContact O-N 2.83Å; A309-L312 PolarHBondContact O-N 3.48Å; A309-L312 VanDerWaalsContact O-N 3.11Å; A309-L313 WeakPolarHBondContact O-CG 3.46Å; A309-L313 PolarHBondContact O-N 3.16Å
310	A	98.1	Very high	96.8	Very high	33 Å²	33	58.5 Å²	58.5	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-25.5	172.1	0	0	0	0	0	115.5	D162 K314	D162-A310 VanDerWaalsContact OD1-CB 3.28Å; D162-A310 WeakPolarHBondContact OD1-CB 3.38Å; D162-A310 PolarHBondContact OD1-N 3.04Å; A310-K314 WeakPolarHBondContact O-CD 3.34Å; A310-K314 WeakPolarHBondContact O-CE 3.13Å; A310-K314 PolarHBondContact O-NZ 3.36Å
311	E	98.3	Very high	96.8	Very high	101 Å²	101	57.5 Å²	57.5	47%	0.472	29%	0.291	S	S	.	.	H	α-helix	trans	-77.7	-44.2	169.3	-77.6	148	-133.1	0	0	111.3	P307 T308 A309 L313 K314	P307-E311 WeakPolarHBondContact CA-OE2 3.4Å; P307-E311 HydrophobicContact CB-CB 3.85Å; P307-E311 WeakPolarHBondContact CB-OE2 3.05Å; T308-E311 WeakPolarHBondContact CB-OE1 3.21Å; T308-E311 VanDerWaalsContact CG2-OE1 3.25Å; T308-E311 WeakPolarHBondContact CG2-OE1 3.3Å; T308-E311 PolarHBondContact N-OE2 3.07Å; T308-E311 WeakPolarHBondContact O-CB 3.4Å; T308-E311 PolarHBondContact O-N 3Å; T308-E311 VanDerWaalsContact OG1-CG 3.31Å; T308-E311 WeakPolarHBondContact OG1-CG 3.26Å; T308-E311 PolarHBondContact OG1-N 2.87Å; T308-E311 PolarHBondContact OG1-OE1 3.37Å; A309-E311 VanDerWaalsContact C-N 3.28Å; A309-E311 PolarHBondContact O-N 2.83Å; E311-L313 PolarHBondContact O-N 3.45Å; E311-K314 WeakPolarHBondContact O-CB 3.24Å; E311-K314 PolarHBondContact O-N 3.4Å; E311-K314 VanDerWaalsContact O-N 3.14Å
312	L	98.2	Very high	97.1	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-69.5	-33.8	-173.9	-167.5	56.4	0	0	0	112.4	L158 M237 F240 L294 C298 P307 T308 A309 K314 C315 F318	L158-L312 HydrophobicContact CD1-CB 4.01Å; L158-L312 HydrophobicContact CD1-CD2 4.16Å; L158-L312 HydrophobicContact CD1-CG 3.92Å; L158-L312 HydrophobicContact CD2-CB 4.49Å; L158-L312 HydrophobicContact CD2-CD2 4.11Å; M237-L312 HydrophobicContact CE-CB 4.21Å; M237-L312 HydrophobicContact CE-CD2 3.62Å; F240-L312 HydrophobicContact CD1-CD2 3.91Å; F240-L312 HydrophobicContact CE1-CD2 3.59Å; F240-L312 HydrophobicContact CZ-CD2 4.42Å; L294-L312 HydrophobicContact CD1-CD1 4.15Å; L294-L312 HydrophobicContact CD1-CG 4.39Å; L294-L312 HydrophobicContact CG-CD1 4.12Å; C298-L312 VanDerWaalsContact SG-CD2 3.51Å; P307-L312 HydrophobicContact CG-CB 4.2Å; P307-L312 HydrophobicContact CG-CD1 4.03Å; P307-L312 HydrophobicContact CG-CD2 4.49Å; P307-L312 HydrophobicContact CG-CG 4.47Å; T308-L312 WeakPolarHBondContact O-CB 3.46Å; T308-L312 PolarHBondContact O-N 2.97Å; A309-L312 PolarHBondContact O-N 3.48Å; A309-L312 VanDerWaalsContact O-N 3.11Å; L312-K314 PolarHBondContact O-N 3.29Å; L312-K314 VanDerWaalsContact O-N 3.11Å; L312-C315 HydrophobicContact CD1-CB 4.35Å; L312-C315 WeakPolarHBondContact O-CB 3.49Å; L312-C315 PolarHBondContact O-N 3.14Å; L312-F318 HydrophobicContact CG-CE2 4.32Å; L312-F318 WeakPolarHBondContact O-CD2 3.46Å; L312-F318 WeakPolarHBondContact O-CE2 3.2Å
313	L	97.8	Very high	97.3	Very high	36 Å²	36	61.2 Å²	61.2	19%	0.188	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-29	170.7	-81.9	165.5	0	0	0	113.3	K155 L158 E159 A309 E311 C315	K155-L313 HydrophobicContact CG-CD2 3.72Å; L158-L313 HydrophobicContact CB-CD1 4.2Å; L158-L313 HydrophobicContact CB-CD2 3.68Å; L158-L313 HydrophobicContact CB-CG 3.68Å; L158-L313 HydrophobicContact CD1-CD2 4.16Å; L158-L313 HydrophobicContact CD1-CG 4.05Å; E159-L313 HydrophobicContact CG-CD2 4.46Å; E159-L313 WeakPolarHBondContact OE2-CD1 3.49Å; A309-L313 WeakPolarHBondContact O-CG 3.46Å; A309-L313 PolarHBondContact O-N 3.16Å; E311-L313 PolarHBondContact O-N 3.45Å; L313-C315 PolarHBondContact O-N 3.42Å
314	K	97.3	Very high	97.5	Very high	166 Å²	166	64.5 Å²	64.5	72%	0.722	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.1	179.2	-59.2	160.9	-174.6	148.9	0	112.9	A310 E311 L312	A310-K314 WeakPolarHBondContact O-CD 3.34Å; A310-K314 WeakPolarHBondContact O-CE 3.13Å; A310-K314 PolarHBondContact O-NZ 3.36Å; E311-K314 WeakPolarHBondContact O-CB 3.24Å; E311-K314 PolarHBondContact O-N 3.4Å; E311-K314 VanDerWaalsContact O-N 3.14Å; L312-K314 PolarHBondContact O-N 3.29Å; L312-K314 VanDerWaalsContact O-N 3.11Å
315	C	96.3	Very high	97.6	Very high	27 Å²	27	66 Å²	66	18%	0.182	32%	0.315	C	S	.	.	S	Bend	trans	-68.2	138.7	179.7	-172.2	0	0	0	0	112	L312 L313 F317 F318	L312-C315 HydrophobicContact CD1-CB 4.35Å; L312-C315 WeakPolarHBondContact O-CB 3.49Å; L312-C315 PolarHBondContact O-N 3.14Å; L313-C315 PolarHBondContact O-N 3.42Å; C315-F317 PolarHBondContact O-N 3.26Å; C315-F318 HydrophobicContact CB-CD2 4.07Å; C315-F318 HydrophobicContact CB-CE2 4.26Å; C315-F318 PolarHBondContact O-N 3.42Å
316	K	96.8	Very high	97.5	Very high	160 Å²	160	62.2 Å²	62.2	70%	0.696	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-17.8	177.8	-65	-170.8	178.5	-173.3	0	114.6	Q319	K316-Q319 WeakPolarHBondContact O-CB 3.32Å; K316-Q319 PolarHBondContact O-N 2.85Å
317	F	98.6	Very high	97.4	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-40.2	173.3	-179.3	-108.6	0	0	0	112.5	E147 I150 A151 F291 L294 C315 Q319 K320	E147-F317 HydrophobicContact CB-CE2 3.92Å; E147-F317 HydrophobicContact CB-CZ 4.41Å; E147-F317 HydrophobicContact CG-CE2 3.99Å; I150-F317 HydrophobicContact CB-CZ 4.2Å; I150-F317 HydrophobicContact CG2-CE1 4.13Å; I150-F317 HydrophobicContact CG2-CZ 3.9Å; A151-F317 HydrophobicContact CB-CD1 4.08Å; A151-F317 HydrophobicContact CB-CE1 3.63Å; A151-F317 HydrophobicContact CB-CZ 3.87Å; F291-F317 HydrophobicContact CB-CD2 3.73Å; F291-F317 HydrophobicContact CB-CE2 3.64Å; F291-F317 HydrophobicContact CB-CZ 4.45Å; F291-F317 HydrophobicContact CD2-CD1 4.27Å; F291-F317 AromaticContact CD2-CD2 3.92Å; F291-F317 HydrophobicContact CD2-CD2 3.92Å; F291-F317 AromaticContact CD2-CE1 3.79Å; F291-F317 HydrophobicContact CD2-CE1 3.79Å; F291-F317 AromaticContact CD2-CE2 3.41Å; F291-F317 HydrophobicContact CD2-CE2 3.41Å; F291-F317 VanDerWaalsContact CD2-CE2 3.41Å; F291-F317 HydrophobicContact CD2-CG 4.32Å; F291-F317 AromaticContact CD2-CZ 3.34Å; F291-F317 HydrophobicContact CD2-CZ 3.34Å; F291-F317 HydrophobicContact CE2-CE1 4.14Å; F291-F317 HydrophobicContact CE2-CE2 4.32Å; F291-F317 AromaticContact CE2-CZ 3.82Å; F291-F317 HydrophobicContact CE2-CZ 3.82Å; F291-F317 HydrophobicContact CG-CD2 4.29Å; F291-F317 AromaticContact CG-CE2 3.83Å; F291-F317 HydrophobicContact CG-CE2 3.83Å; F291-F317 HydrophobicContact CG-CZ 4.18Å; L294-F317 HydrophobicContact CD1-CB 4.21Å; L294-F317 HydrophobicContact CD1-CD1 3.84Å; L294-F317 HydrophobicContact CD1-CG 4.32Å; C315-F317 PolarHBondContact O-N 3.26Å; F317-Q319 PolarHBondContact O-N 2.83Å; F317-K320 HydrophobicContact CD2-CD 4.24Å; F317-K320 HydrophobicContact CE2-CD 4.28Å; F317-K320 WeakPolarHBondContact O-CB 3.46Å; F317-K320 WeakPolarHBondContact O-CG 3.32Å; F317-K320 PolarHBondContact O-N 2.84Å
318	F	98.4	Very high	97.1	Very high	17 Å²	17	64.3 Å²	64.3	8%	0.075	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-72.3	-10.2	-176.9	-63.5	-66.3	0	0	0	114.1	A151 L154 K155 L158 F240 L294 L312 C315 K320 A321	A151-F318 HydrophobicContact CB-CD1 4.49Å; A151-F318 WeakPolarHBondContact O-CD1 3.25Å; L154-F318 HydrophobicContact CB-CE1 3.94Å; L154-F318 HydrophobicContact CB-CZ 4.47Å; K155-F318 HydrophobicContact CB-CD1 3.86Å; K155-F318 HydrophobicContact CB-CE1 4.32Å; L158-F318 HydrophobicContact CD1-CD2 4.48Å; L158-F318 HydrophobicContact CD1-CE1 4.22Å; L158-F318 HydrophobicContact CD1-CE2 3.54Å; L158-F318 HydrophobicContact CD1-CZ 3.38Å; L158-F318 HydrophobicContact CG-CZ 4.48Å; F240-F318 HydrophobicContact CZ-CZ 4.15Å; L294-F318 HydrophobicContact CD1-CD2 4.48Å; L294-F318 HydrophobicContact CD1-CE1 4.49Å; L294-F318 HydrophobicContact CD1-CE2 3.47Å; L294-F318 VanDerWaalsContact CD1-CE2 3.47Å; L294-F318 HydrophobicContact CD1-CZ 3.47Å; L294-F318 VanDerWaalsContact CD1-CZ 3.47Å; L312-F318 HydrophobicContact CG-CE2 4.32Å; L312-F318 WeakPolarHBondContact O-CD2 3.46Å; L312-F318 WeakPolarHBondContact O-CE2 3.2Å; C315-F318 HydrophobicContact CB-CD2 4.07Å; C315-F318 HydrophobicContact CB-CE2 4.26Å; C315-F318 PolarHBondContact O-N 3.42Å; F318-K320 PolarHBondContact O-N 3.32Å; F318-K320 VanDerWaalsContact O-N 3.14Å; F318-A321 WeakPolarHBondContact O-CB 3.48Å; F318-A321 PolarHBondContact O-N 2.95Å
319	Q	97.6	Very high	96.9	Very high	158 Å²	158	67.6 Å²	67.6	74%	0.738	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-64.7	-10.8	167.2	-60.4	179.5	-31.6	0	0	112.9	K316 F317	K316-Q319 WeakPolarHBondContact O-CB 3.32Å; K316-Q319 PolarHBondContact O-N 2.85Å; F317-Q319 PolarHBondContact O-N 2.83Å
320	K	98.2	Very high	96.6	Very high	61 Å²	61	70.2 Å²	70.2	27%	0.265	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-86.4	-12.2	173	-59	-178.5	-178	-175.3	0	113.7	E147 A151 S290 F317 F318	E147-K320 HydrophobicContact CB-CD 3.87Å; E147-K320 IonicContact OE1-NZ 2.63Å; E147-K320 PolarHBondContact OE1-NZ 2.91Å; E147-K320 IonicContact OE2-NZ 2.75Å; E147-K320 PolarHBondContact OE2-NZ 3.23Å; A151-K320 HydrophobicContact CB-CB 3.91Å; S290-K320 PolarHBondContact OG-NZ 3.21Å; F317-K320 HydrophobicContact CD2-CD 4.24Å; F317-K320 HydrophobicContact CE2-CD 4.28Å; F317-K320 WeakPolarHBondContact O-CB 3.46Å; F317-K320 WeakPolarHBondContact O-CG 3.32Å; F317-K320 PolarHBondContact O-N 2.84Å; F318-K320 PolarHBondContact O-N 3.32Å; F318-K320 VanDerWaalsContact O-N 3.14Å
321	A	98.1	Very high	96.1	Very high	26 Å²	26	68.9 Å²	68.9	22%	0.215	32%	0.32	C	S	.	.			trans	-61.7	155.7	-178	0	0	0	0	0	112.4	A151 T152 K155 F318	A151-A321 HydrophobicContact CB-CB 4.28Å; T152-A321 WeakPolarHBondContact OG1-CA 3.36Å; K155-A321 HydrophobicContact CD-CB 4.4Å; F318-A321 WeakPolarHBondContact O-CB 3.48Å; F318-A321 PolarHBondContact O-N 2.95Å
322	K	98.1	Very high	95.5	Very high	112 Å²	112	65.4 Å²	65.4	49%	0.487	30%	0.304	S	S	.	.			trans	-125.8	-169.1	-178.2	-57.8	-62.4	175.2	-172.4	0	110.2	A148 T152 Y326	A148-K322 HydrophobicContact CB-CG 4.45Å; T152-K322 WeakPolarHBondContact CG2-O 3.16Å; T152-K322 PolarHBondContact OG1-N 3.41Å; K322-Y326 HydrophobicContact CB-CD1 3.69Å; K322-Y326 HydrophobicContact CB-CD2 4.4Å; K322-Y326 HydrophobicContact CB-CE1 4.42Å; K322-Y326 HydrophobicContact CB-CG 3.66Å; K322-Y326 HydrophobicContact CG-CD1 3.63Å; K322-Y326 HydrophobicContact CG-CD2 4.16Å; K322-Y326 HydrophobicContact CG-CE1 3.85Å; K322-Y326 HydrophobicContact CG-CE2 4.38Å; K322-Y326 HydrophobicContact CG-CG 3.77Å
323	N	96.3	Very high	94.9	Very high	88 Å²	88	70.5 Å²	70.5	47%	0.471	34%	0.335	S	S	.	.			trans	-96.3	174.6	177.2	57.2	-29.9	0	0	0	111.9	E325 Y326	N323-E325 VanDerWaalsContact C-N 3.31Å; N323-E325 VanDerWaalsContact CB-OE2 3.24Å; N323-E325 WeakPolarHBondContact CB-OE2 3.46Å; N323-E325 PolarHBondContact ND2-OE2 2.76Å; N323-E325 PolarHBondContact O-N 3.13Å; N323-Y326 WeakPolarHBondContact O-CB 3.38Å; N323-Y326 PolarHBondContact O-N 3.02Å
324	R	95.1	Very high	93.8	Very high	101 Å²	101	76.2 Å²	76.2	38%	0.381	36%	0.355	S	S	.	.	H	α-helix	trans	-64.2	-36.7	-177.9	-64.2	-170	-176.2	174.3	6	112.2	D184 G185 Y326 L327 I328	D184-R324 WeakPolarHBondContact O-CB 3.49Å; D184-R324 WeakPolarHBondContact O-CD 3.29Å; D184-R324 IonicContact OD2-CZ 3.86Å; D184-R324 IonicContact OD2-NH1 3.78Å; D184-R324 PolarHBondContact OD2-NH1 2.79Å; G185-R324 WeakPolarHBondContact O-CG 3.41Å; R324-Y326 PolarHBondContact O-N 2.8Å; R324-L327 WeakPolarHBondContact O-CA 3.45Å; R324-L327 WeakPolarHBondContact O-CB 3.41Å; R324-L327 PolarHBondContact O-N 3.45Å; R324-I328 WeakPolarHBondContact O-CG1 3.47Å; R324-I328 PolarHBondContact O-N 3.39Å
325	E	95.3	Very high	92.7	Very high	119 Å²	119	69.1 Å²	69.1	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-56.5	-35.1	176.7	-60.6	84.5	164.7	0	0	111.8	N323 I328 E329	N323-E325 VanDerWaalsContact C-N 3.31Å; N323-E325 VanDerWaalsContact CB-OE2 3.24Å; N323-E325 WeakPolarHBondContact CB-OE2 3.46Å; N323-E325 PolarHBondContact ND2-OE2 2.76Å; N323-E325 PolarHBondContact O-N 3.13Å; E325-I328 PolarHBondContact O-N 3.28Å; E325-E329 WeakPolarHBondContact O-CB 3.2Å; E325-E329 PolarHBondContact O-N 2.9Å
326	Y	96.1	Very high	91.6	Very high	46 Å²	46	69.5 Å²	69.5	18%	0.18	33%	0.327	C	S	.	.	H	α-helix	trans	-69.4	-36.9	174.5	-169.3	-97.9	0	0	0	112.6	E146 A148 I149 K322 N323 R324 K330	E146-Y326 PolarHBondContact OE1-OH 2.91Å; A148-Y326 HydrophobicContact CB-CE1 4.15Å; I149-Y326 HydrophobicContact CG1-CE1 3.97Å; K322-Y326 HydrophobicContact CB-CD1 3.69Å; K322-Y326 HydrophobicContact CB-CD2 4.4Å; K322-Y326 HydrophobicContact CB-CE1 4.42Å; K322-Y326 HydrophobicContact CB-CG 3.66Å; K322-Y326 HydrophobicContact CG-CD1 3.63Å; K322-Y326 HydrophobicContact CG-CD2 4.16Å; K322-Y326 HydrophobicContact CG-CE1 3.85Å; K322-Y326 HydrophobicContact CG-CE2 4.38Å; K322-Y326 HydrophobicContact CG-CG 3.77Å; N323-Y326 WeakPolarHBondContact O-CB 3.38Å; N323-Y326 PolarHBondContact O-N 3.02Å; R324-Y326 PolarHBondContact O-N 2.8Å; Y326-K330 HydrophobicContact CD1-CG 4.06Å; Y326-K330 HydrophobicContact CD2-CG 4.14Å; Y326-K330 HydrophobicContact CE1-CG 3.83Å; Y326-K330 HydrophobicContact CE2-CD 4.38Å; Y326-K330 VanDerWaalsContact CE2-CE 3.46Å; Y326-K330 HydrophobicContact CE2-CG 3.91Å; Y326-K330 HydrophobicContact CG-CG 4.22Å; Y326-K330 WeakPolarHBondContact O-CB 3.48Å; Y326-K330 VanDerWaalsContact O-CG 3.3Å; Y326-K330 WeakPolarHBondContact O-CG 3.18Å; Y326-K330 PolarHBondContact O-N 2.82Å
327	L	95.1	Very high	90.4	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-69	-37.6	173.4	-63.6	-175.9	0	0	0	111.7	I149 T152 I153 V187 R324 L331 L332	I149-L327 HydrophobicContact CG2-CD2 4.25Å; T152-L327 HydrophobicContact CG2-CD1 3.89Å; T152-L327 HydrophobicContact CG2-CD2 4.05Å; T152-L327 HydrophobicContact CG2-CG 3.92Å; I153-L327 HydrophobicContact CG1-CD1 4.31Å; I153-L327 HydrophobicContact CG1-CD2 4.2Å; V187-L327 HydrophobicContact CG2-CD1 3.7Å; R324-L327 WeakPolarHBondContact O-CA 3.45Å; R324-L327 WeakPolarHBondContact O-CB 3.41Å; R324-L327 PolarHBondContact O-N 3.45Å; L327-L331 HydrophobicContact CD2-CD1 4.35Å; L327-L331 WeakPolarHBondContact O-CA 3.15Å; L327-L331 WeakPolarHBondContact O-CB 3.28Å; L327-L331 PolarHBondContact O-N 2.94Å; L327-L332 PolarHBondContact O-N 2.9Å; L327-L332 VanDerWaalsContact O-N 3.16Å
328	I	93.7	Very high	89	Confident	59 Å²	59	65.8 Å²	65.8	30%	0.303	32%	0.315	S	S	.	.	H	α-helix	trans	-59.4	-54	173.6	-63.5	164.6	0	0	0	109.5	R324 E325 L332 T333	R324-I328 WeakPolarHBondContact O-CG1 3.47Å; R324-I328 PolarHBondContact O-N 3.39Å; E325-I328 PolarHBondContact O-N 3.28Å; I328-L332 HydrophobicContact CG1-CD1 4.09Å; I328-L332 PolarHBondContact O-N 3.08Å; I328-T333 PolarHBondContact O-N 3.48Å; I328-T333 PolarHBondContact O-OG1 3.27Å
329	E	93	Very high	87.5	Confident	103 Å²	103	67 Å²	67	48%	0.481	33%	0.327	S	S	.	.	H	α-helix	trans	-65.7	-41.7	-176.3	-161.2	-130.4	137.3	0	0	113.7	E325	E325-E329 WeakPolarHBondContact O-CB 3.2Å; E325-E329 PolarHBondContact O-N 2.9Å
330	K	92.1	Very high	86.1	Confident	56 Å²	56	64.7 Å²	64.7	24%	0.243	32%	0.317	C	S	.	.	H	α-helix	trans	-91.9	-29.1	-173.5	-55.7	-50.1	-177.4	-165.4	0	114.5	I149 Y326 R334	I149-K330 HydrophobicContact CD1-CB 3.83Å; I149-K330 HydrophobicContact CG1-CB 4.46Å; Y326-K330 HydrophobicContact CD1-CG 4.06Å; Y326-K330 HydrophobicContact CD2-CG 4.14Å; Y326-K330 HydrophobicContact CE1-CG 3.83Å; Y326-K330 HydrophobicContact CE2-CD 4.38Å; Y326-K330 VanDerWaalsContact CE2-CE 3.46Å; Y326-K330 HydrophobicContact CE2-CG 3.91Å; Y326-K330 HydrophobicContact CG-CG 4.22Å; Y326-K330 WeakPolarHBondContact O-CB 3.48Å; Y326-K330 VanDerWaalsContact O-CG 3.3Å; Y326-K330 WeakPolarHBondContact O-CG 3.18Å; Y326-K330 PolarHBondContact O-N 2.82Å; K330-R334 WeakPolarHBondContact O-CD 3.39Å
331	L	88.7	Confident	84.5	Confident	6 Å²	6	63.6 Å²	63.6	3%	0.031	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-66.7	178.4	-65.6	-175.2	0	0	0	112.2	M127 I130 L145 I149 I153 L181 L327 T333 R334 T335	M127-L331 HydrophobicContact CE-CD1 4.07Å; M127-L331 HydrophobicContact SD-CD1 4.3Å; I130-L331 HydrophobicContact CD1-CB 4.33Å; I130-L331 HydrophobicContact CD1-CD1 4.18Å; I130-L331 HydrophobicContact CG2-CD2 3.99Å; L145-L331 HydrophobicContact CD2-CD2 3.96Å; I149-L331 HydrophobicContact CD1-CD2 3.95Å; I149-L331 HydrophobicContact CD1-CG 4.22Å; I149-L331 HydrophobicContact CG2-CD1 3.77Å; I149-L331 HydrophobicContact CG2-CD2 4.24Å; I149-L331 HydrophobicContact CG2-CG 4.14Å; I153-L331 HydrophobicContact CD1-CD1 4.06Å; L181-L331 HydrophobicContact CD1-CD1 4.25Å; L327-L331 HydrophobicContact CD2-CD1 4.35Å; L327-L331 WeakPolarHBondContact O-CA 3.15Å; L327-L331 WeakPolarHBondContact O-CB 3.28Å; L327-L331 PolarHBondContact O-N 2.94Å; L331-T333 PolarHBondContact O-N 2.82Å; L331-R334 WeakPolarHBondContact O-CA 3.37Å; L331-R334 WeakPolarHBondContact O-CB 3.49Å; L331-R334 PolarHBondContact O-N 3.18Å; L331-T335 PolarHBondContact O-N 3.48Å; L331-T335 PolarHBondContact O-OG1 2.62Å
332	L	85.8	Confident	82.6	Confident	28 Å²	28	63.3 Å²	63.3	15%	0.147	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-63.9	-41.4	-163.6	-60.9	175.6	0	0	0	112.1	L181 G182 L327 I328 R334 T335	L181-L332 HydrophobicContact CB-CD2 4.19Å; L181-L332 HydrophobicContact CD1-CD2 3.79Å; G182-L332 WeakPolarHBondContact O-CD1 3.27Å; L327-L332 PolarHBondContact O-N 2.9Å; L327-L332 VanDerWaalsContact O-N 3.16Å; I328-L332 HydrophobicContact CG1-CD1 4.09Å; I328-L332 PolarHBondContact O-N 3.08Å; L332-R334 PolarHBondContact O-N 2.71Å; L332-R334 VanDerWaalsContact O-N 3.11Å; L332-T335 PolarHBondContact O-N 2.71Å; L332-T335 PolarHBondContact O-OG1 2.94Å
333	T	83.9	Confident	80.4	Confident	109 Å²	109	67 Å²	67	67%	0.669	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-61.3	-17.9	174.4	-53.1	0	0	0	0	113.8	I328 L331	I328-T333 PolarHBondContact O-N 3.48Å; I328-T333 PolarHBondContact O-OG1 3.27Å; L331-T333 PolarHBondContact O-N 2.82Å
334	R	74.8	Confident	78.2	Confident	157 Å²	157	71.3 Å²	71.3	59%	0.592	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-100.7	-16.2	-178.5	-60.3	-169.5	177.3	-159.4	-4.5	114.3	Y133 K330 L331 L332	Y133-R334 WeakPolarHBondContact CE1-O 3.37Å; Y133-R334 VanDerWaalsContact CZ-O 3.3Å; Y133-R334 PolarHBondContact OH-O 3.18Å; Y133-R334 VanDerWaalsContact OH-O 3.08Å; K330-R334 WeakPolarHBondContact O-CD 3.39Å; L331-R334 WeakPolarHBondContact O-CA 3.37Å; L331-R334 WeakPolarHBondContact O-CB 3.49Å; L331-R334 PolarHBondContact O-N 3.18Å; L332-R334 PolarHBondContact O-N 2.71Å; L332-R334 VanDerWaalsContact O-N 3.11Å
335	T	74.9	Confident	75.7	Confident	17 Å²	17	69.6 Å²	69.6	10%	0.104	34%	0.34	C	S	.	.	S	Bend	trans	-110.3	138.9	-173	57.4	0	0	0	0	110.9	I130 Y133 L331 L332 R341	I130-T335 HydrophobicContact CD1-CG2 4.44Å; I130-T335 HydrophobicContact CG1-CG2 4.1Å; I130-T335 HydrophobicContact CG2-CG2 4.24Å; Y133-T335 HydrophobicContact CD1-CG2 3.87Å; Y133-T335 HydrophobicContact CE1-CG2 4.29Å; Y133-T335 HydrophobicContact CG-CG2 4.43Å; L331-T335 PolarHBondContact O-N 3.48Å; L331-T335 PolarHBondContact O-OG1 2.62Å; L332-T335 PolarHBondContact O-N 2.71Å; L332-T335 PolarHBondContact O-OG1 2.94Å; T335-R341 PolarHBondContact OG1-NH2 2.86Å
336	P	73	Confident	73.3	Confident	34 Å²	34	72 Å²	72	22%	0.221	34%	0.343	C	S	.	.			trans	-59.3	149.4	176.5	26.4	-35.4	0	0	0	111	Y133 Q340 R341	Y133-P336 HydrophobicContact CD2-CG 4.06Å; Y133-P336 HydrophobicContact CE2-CG 4.04Å; P336-Q340 HydrophobicContact CB-CB 3.84Å; P336-Q340 VanDerWaalsContact CB-OE1 3.25Å; P336-R341 HydrophobicContact CG-CG 4.15Å; P336-R341 PolarHBondContact O-NE 3.14Å; P336-R341 PolarHBondContact O-NH2 3.27Å
337	D	71.3	Confident	70.9	Confident	69 Å²	69	73 Å²	73	37%	0.369	35%	0.347	S	S	.	.			trans	-68.8	171.5	178.2	68.6	58.4	0	0	0	113.2	A339 Q340 R341	D337-A339 VanDerWaalsContact C-N 3.3Å; D337-A339 PolarHBondContact O-N 2.93Å; D337-A339 WeakPolarHBondContact OD1-CA 3.24Å; D337-A339 WeakPolarHBondContact OD1-CB 3.3Å; D337-A339 PolarHBondContact OD1-N 3.13Å; D337-Q340 PolarHBondContact O-N 2.85Å; D337-Q340 PolarHBondContact OD1-N 3.4Å; D337-Q340 VanDerWaalsContact OD2-CD 3.3Å; D337-Q340 WeakPolarHBondContact OD2-CG 3.44Å; D337-Q340 PolarHBondContact OD2-NE2 3.35Å; D337-R341 WeakPolarHBondContact O-CG 3.22Å; D337-R341 PolarHBondContact O-N 3.34Å
338	I	70.6	Confident	68.3	Low	14 Å²	14	76.8 Å²	76.8	7%	0.072	37%	0.37	C	S	.	.	H	α-helix	trans	-60.8	-33	-177.9	-157.8	163.1	0	0	0	113.9	I50 S123 R341 A342	I50-I338 HydrophobicContact CD1-CD1 4.19Å; I50-I338 HydrophobicContact CG1-CD1 4.15Å; I50-I338 HydrophobicContact CG1-CG1 4.44Å; I50-I338 HydrophobicContact CG2-CD1 3.73Å; I50-I338 HydrophobicContact CG2-CG1 4.14Å; S123-I338 WeakPolarHBondContact O-CB 3.16Å; S123-I338 PolarHBondContact O-N 2.89Å; I338-R341 PolarHBondContact O-N 3.16Å; I338-A342 WeakPolarHBondContact O-CB 3.35Å; I338-A342 PolarHBondContact O-N 2.83Å
339	A	66.4	Low	65.6	Low	41 Å²	41	78.2 Å²	78.2	34%	0.339	38%	0.383	S	S	.	.	H	α-helix	trans	-78.6	-33.6	179.8	0	0	0	0	0	111.6	D337 R341	D337-A339 VanDerWaalsContact C-N 3.3Å; D337-A339 PolarHBondContact O-N 2.93Å; D337-A339 WeakPolarHBondContact OD1-CA 3.24Å; D337-A339 WeakPolarHBondContact OD1-CB 3.3Å; D337-A339 PolarHBondContact OD1-N 3.13Å; A339-R341 VanDerWaalsContact C-N 3.29Å
340	Q	68.3	Low	63.2	Low	110 Å²	110	74 Å²	74	51%	0.514	37%	0.368	S	S	.	.	H	α-helix	trans	-64.7	-32.4	168	-68	177.8	34.7	0	0	112.3	P336 D337	P336-Q340 HydrophobicContact CB-CB 3.84Å; P336-Q340 VanDerWaalsContact CB-OE1 3.25Å; D337-Q340 PolarHBondContact O-N 2.85Å; D337-Q340 PolarHBondContact OD1-N 3.4Å; D337-Q340 VanDerWaalsContact OD2-CD 3.3Å; D337-Q340 WeakPolarHBondContact OD2-CG 3.44Å; D337-Q340 PolarHBondContact OD2-NE2 3.35Å
341	R	64.8	Low	61	Low	39 Å²	39	73.3 Å²	73.3	15%	0.147	37%	0.37	C	S	.	.	H	α-helix	trans	-76.7	-41.4	173.8	-66.5	176.2	-151.9	170.9	13.7	112.6	G124 T335 P336 D337 I338 A339 K343 K344	G124-R341 VanDerWaalsContact O-CZ 3.27Å; G124-R341 PolarHBondContact O-NH1 3.21Å; G124-R341 PolarHBondContact O-NH2 3.19Å; T335-R341 PolarHBondContact OG1-NH2 2.86Å; P336-R341 HydrophobicContact CG-CG 4.15Å; P336-R341 PolarHBondContact O-NE 3.14Å; P336-R341 PolarHBondContact O-NH2 3.27Å; D337-R341 WeakPolarHBondContact O-CG 3.22Å; D337-R341 PolarHBondContact O-N 3.34Å; I338-R341 PolarHBondContact O-N 3.16Å; A339-R341 VanDerWaalsContact C-N 3.29Å; R341-K343 PolarHBondContact O-N 3.16Å; R341-K344 PolarHBondContact O-N 2.67Å
342	A	57.5	Low	59.2	Low	19 Å²	19	75.7 Å²	75.7	16%	0.157	39%	0.387	C	S	.	.	H	α-helix	trans	-52.7	-41.7	-178.5	0	0	0	0	0	112.4	E48 V49 I338 K344 V345	E48-A342 HydrophobicContact CB-CB 4.27Å; E48-A342 HydrophobicContact CG-CB 4.12Å; V49-A342 WeakPolarHBondContact O-CB 3.35Å; I338-A342 WeakPolarHBondContact O-CB 3.35Å; I338-A342 PolarHBondContact O-N 2.83Å; A342-K344 PolarHBondContact O-N 2.83Å; A342-V345 PolarHBondContact O-N 2.74Å; A342-V345 VanDerWaalsContact O-N 3.08Å
343	K	52.6	Low	58	Low	190 Å²	190	75 Å²	75	83%	0.826	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-1.1	174.6	-66.2	-178.6	180	-172.9	0	115.7	R341	R341-K343 PolarHBondContact O-N 3.16Å
344	K	48.5	Very low	56.6	Low	179 Å²	179	73 Å²	73	78%	0.778	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	10	178.6	-59.9	-167.9	176.4	-167.7	0	113.5	R341 A342 R346	R341-K344 PolarHBondContact O-N 2.67Å; A342-K344 PolarHBondContact O-N 2.83Å; K344-R346 PolarHBondContact O-N 3.33Å
345	V	43.5	Very low	55.9	Low	65 Å²	65	65.7 Å²	65.7	39%	0.394	34%	0.342	S	S	.	.			trans	-80.3	70	179.4	-175.1	0	0	0	0	109.7	A342 R347	A342-V345 PolarHBondContact O-N 2.74Å; A342-V345 VanDerWaalsContact O-N 3.08Å; V345-R347 PolarHBondContact O-N 2.86Å
346	R	45.4	Very low	55.4	Low	168 Å²	168	68.4 Å²	68.4	63%	0.634	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-58.6	136.3	168.1	-77.3	-172.7	173.5	172.1	1.3	109.1	K344 E364	K344-R346 PolarHBondContact O-N 3.33Å; R346-E364 IonicContact CZ-OE1 2.75Å; R346-E364 IonicContact NE-OE1 2.73Å; R346-E364 PolarHBondContact NE-OE1 3.09Å; R346-E364 IonicContact NH2-OE1 3.6Å; R346-E364 PolarHBondContact NH2-OE1 3.02Å
347	R	45.6	Very low	54.3	Low	67 Å²	67	69 Å²	69	25%	0.253	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-56.6	150.3	177.6	-64.6	178.6	178.1	-157.6	-1.5	110.8	V345 D367	V345-R347 PolarHBondContact O-N 2.86Å; R347-D367 IonicContact CZ-OD1 2.74Å; R347-D367 IonicContact NE-OD1 3.68Å; R347-D367 PolarHBondContact NE-OD1 2.94Å; R347-D367 IonicContact NH2-OD1 3.83Å; R347-D367 PolarHBondContact NH2-OD1 2.87Å
348	V	40.4	Very low	53.5	Low	83 Å²	83	67.1 Å²	67.1	50%	0.503	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-66.6	128.5	-179.7	-179.7	0	0	0	0	109.6	G350 S351	V348-G350 PolarHBondContact O-N 2.66Å; V348-S351 PolarHBondContact O-N 3.25Å; V348-S351 PolarHBondContact O-OG 2.69Å
349	P	36.3	Very low	52.6	Low	88 Å²	88	76.2 Å²	76.2	57%	0.571	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	132	177	-28.7	35.7	0	0	0	112.2
350	G	42.2	Very low	51.8	Low	15 Å²	15	81.8 Å²	81.8	16%	0.155	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	23.6	-175.2	0	0	0	0	0	115.6	V348 N447	V348-G350 PolarHBondContact O-N 2.66Å; G350-N447 VanDerWaalsContact C-ND2 3.3Å; G350-N447 WeakPolarHBondContact CA-ND2 3.43Å; G350-N447 PolarHBondContact O-ND2 2.88Å; G350-N447 PolarHBondContact O-OD1 3.14Å
351	S	46.8	Very low	50.6	Low	42 Å²	42	78 Å²	78	29%	0.294	40%	0.401	S	S	.	.			trans	-90	146.2	152.9	59.5	0	0	0	0	110.8	V348 W365	V348-S351 PolarHBondContact O-N 3.25Å; V348-S351 PolarHBondContact O-OG 2.69Å; S351-W365 WeakPolarHBondContact O-CH2 3.42Å
352	S	50	Low	49.5	Very low	56 Å²	56	80.8 Å²	80.8	39%	0.392	42%	0.418	S	S	.	.			trans	-62.5	153.5	170.8	-49.8	0	0	0	0	112.4	D448	S352-D448 WeakPolarHBondContact CA-O 3.29Å; S352-D448 WeakPolarHBondContact CB-O 3.26Å; S352-D448 PolarHBondContact OG-N 3.44Å
353	G	61.1	Low	49.2	Very low	13 Å²	13	81.8 Å²	81.8	13%	0.134	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-166.8	178.6	0	0	0	0	0	112.9	D448 R450	G353-D448 PolarHBondContact N-O 2.72Å; G353-R450 WeakPolarHBondContact O-CG 3.47Å; G353-R450 PolarHBondContact O-N 3.15Å; G353-R450 VanDerWaalsContact O-N 3.13Å
354	H	54.6	Low	49.2	Very low	67 Å²	67	75.9 Å²	75.9	31%	0.31	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.4	170.8	-178.1	90.3	0	0	0	110.3	W365 S366 R450	H354-W365 WeakPolarHBondContact O-CA 3.45Å; H354-S366 PolarHBondContact CD2-OG 3.49Å; H354-S366 PolarHBondContact O-N 2.95Å; H354-S366 PolarHBondContact O-OG 2.97Å; H354-R450 HydrophobicContact CB-CB 4.21Å
355	L	60.4	Low	49.4	Very low	4 Å²	4	69.5 Å²	69.5	2%	0.021	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.6	-170.8	-162.9	79.3	0	0	0	108.2	W363 E364 W365 R450 L467 L472	L355-W363 HydrophobicContact CB-CE3 4.25Å; L355-W363 HydrophobicContact CD1-CB 4.25Å; L355-W363 HydrophobicContact CD2-CB 3.92Å; L355-W363 HydrophobicContact CD2-CD2 3.74Å; L355-W363 HydrophobicContact CD2-CE3 3.65Å; L355-W363 HydrophobicContact CD2-CG 3.91Å; L355-W363 HydrophobicContact CD2-CZ3 4.37Å; L355-W363 HydrophobicContact CG-CB 4Å; L355-W363 HydrophobicContact CG-CD2 4.12Å; L355-W363 HydrophobicContact CG-CE3 3.63Å; L355-W363 HydrophobicContact CG-CG 4.33Å; L355-W363 HydrophobicContact CG-CZ3 4.4Å; L355-W363 WeakPolarHBondContact O-CZ3 3.5Å; L355-E364 CarbonylContact C-O 3.43Å; L355-E364 WeakPolarHBondContact CA-O 3.29Å; L355-W365 HydrophobicContact CB-CE3 4.19Å; L355-W365 HydrophobicContact CB-CZ3 4.18Å; L355-W365 HydrophobicContact CD1-CD2 3.5Å; L355-W365 HydrophobicContact CD1-CE3 3.81Å; L355-W365 HydrophobicContact CD1-CG 3.88Å; L355-W365 HydrophobicContact CD1-CH2 4.28Å; L355-W365 HydrophobicContact CD1-CZ2 4Å; L355-W365 HydrophobicContact CD1-CZ3 4.17Å; L355-R450 WeakPolarHBondContact CB-O 3.18Å; L355-R450 PolarHBondContact N-O 3.06Å; L355-L467 HydrophobicContact CD2-CD2 4.39Å; L355-L472 HydrophobicContact CD2-CD1 4.25Å
356	H	63.2	Low	49.8	Very low	73 Å²	73	67 Å²	67	34%	0.338	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	158.2	178.6	74.1	89.7	0	0	0	110.7	W363 E364	H356-W363 VanDerWaalsContact C-CE3 3.49Å; H356-W363 WeakPolarHBondContact O-CA 3.44Å; H356-E364 PolarHBondContact CD2-O 2.81Å; H356-E364 PolarHBondContact N-O 3.23Å; H356-E364 PolarHBondContact O-N 2.84Å
357	K	49.8	Very low	50.1	Low	48 Å²	48	64.5 Å²	64.5	21%	0.209	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.3	177.7	-144.9	153.7	-174.7	163.9	0	109.3	G361 D362 W363 D458 E466	K357-G361 WeakPolarHBondContact CE-O 3.32Å; K357-G361 WeakPolarHBondContact CG-O 3.45Å; K357-D362 CarbonylContact C-O 3.56Å; K357-D362 WeakPolarHBondContact CA-O 3.34Å; K357-W363 HydrophobicContact CB-CE3 4.35Å; K357-W363 HydrophobicContact CB-CZ3 4.4Å; K357-W363 HydrophobicContact CD-CH2 4.5Å; K357-W363 HydrophobicContact CD-CZ2 4.14Å; K357-D458 IonicContact NZ-OD1 2.91Å; K357-E466 IonicContact NZ-OE1 2.61Å; K357-E466 PolarHBondContact NZ-OE1 3.42Å; K357-E466 IonicContact NZ-OE2 3.47Å; K357-E466 PolarHBondContact NZ-OE2 3.48Å
358	T	55.8	Low	50.1	Low	28 Å²	28	66.8 Å²	66.8	17%	0.172	37%	0.366	C	S	.	.			trans	-81.7	173.5	176.8	64.3	0	0	0	0	111.3	D360 G361 D362 E364	T358-D360 PolarHBondContact O-N 2.86Å; T358-G361 PolarHBondContact O-N 3.05Å; T358-D362 PolarHBondContact N-O 3.23Å; T358-D362 PolarHBondContact OG1-N 3.33Å; T358-D362 PolarHBondContact OG1-O 3.41Å; T358-E364 HydrophobicContact CG2-CB 4.15Å; T358-E364 HydrophobicContact CG2-CG 3.75Å
359	E	50.7	Low	50.3	Low	206 Å²	206	71 Å²	71	96%	0.963	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.3	174.6	-61.3	-172.4	155.7	0	0	112.2	G361	E359-G361 VanDerWaalsContact C-N 3.27Å; E359-G361 PolarHBondContact O-N 2.85Å
360	D	49.5	Very low	50.5	Low	158 Å²	158	75 Å²	75	85%	0.845	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-8	175.2	-67.6	-53.5	0	0	0	113.7	T358	T358-D360 PolarHBondContact O-N 2.86Å
361	G	42.9	Very low	50.5	Low	31 Å²	31	77.4 Å²	77.4	32%	0.32	40%	0.403	S	S	.	.	S	Bend	trans	91.5	-4.1	179.7	0	0	0	0	0	115.9	K357 T358 E359	K357-G361 WeakPolarHBondContact CE-O 3.32Å; K357-G361 WeakPolarHBondContact CG-O 3.45Å; T358-G361 PolarHBondContact O-N 3.05Å; E359-G361 VanDerWaalsContact C-N 3.27Å; E359-G361 PolarHBondContact O-N 2.85Å
362	D	43.4	Very low	50.2	Low	96 Å²	96	83.1 Å²	83.1	51%	0.513	43%	0.425	S	S	.	.			trans	-67.2	146.8	173.3	-98.7	-4.6	0	0	0	111.2	K357 T358	K357-D362 CarbonylContact C-O 3.56Å; K357-D362 WeakPolarHBondContact CA-O 3.34Å; T358-D362 PolarHBondContact N-O 3.23Å; T358-D362 PolarHBondContact OG1-N 3.33Å; T358-D362 PolarHBondContact OG1-O 3.41Å
363	W	51.3	Low	49.8	Very low	41 Å²	41	88.1 Å²	88.1	16%	0.155	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	124.8	170	-72.7	102.4	0	0	0	111.2	L355 H356 K357 F451 V463 E466	L355-W363 HydrophobicContact CB-CE3 4.25Å; L355-W363 HydrophobicContact CD1-CB 4.25Å; L355-W363 HydrophobicContact CD2-CB 3.92Å; L355-W363 HydrophobicContact CD2-CD2 3.74Å; L355-W363 HydrophobicContact CD2-CE3 3.65Å; L355-W363 HydrophobicContact CD2-CG 3.91Å; L355-W363 HydrophobicContact CD2-CZ3 4.37Å; L355-W363 HydrophobicContact CG-CB 4Å; L355-W363 HydrophobicContact CG-CD2 4.12Å; L355-W363 HydrophobicContact CG-CE3 3.63Å; L355-W363 HydrophobicContact CG-CG 4.33Å; L355-W363 HydrophobicContact CG-CZ3 4.4Å; L355-W363 WeakPolarHBondContact O-CZ3 3.5Å; H356-W363 VanDerWaalsContact C-CE3 3.49Å; H356-W363 WeakPolarHBondContact O-CA 3.44Å; K357-W363 HydrophobicContact CB-CE3 4.35Å; K357-W363 HydrophobicContact CB-CZ3 4.4Å; K357-W363 HydrophobicContact CD-CH2 4.5Å; K357-W363 HydrophobicContact CD-CZ2 4.14Å; W363-F451 HydrophobicContact CH2-CB 4.13Å; W363-F451 HydrophobicContact CZ3-CB 4.11Å; W363-V463 HydrophobicContact CZ2-CG1 4.5Å; W363-E466 PolarHBondContact NE1-OE2 2.8Å
364	E	51.8	Low	48.9	Very low	65 Å²	65	89.5 Å²	89.5	30%	0.304	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152.4	170.7	-69.6	-157.7	118	0	0	111.7	R346 L355 H356 T358	R346-E364 IonicContact CZ-OE1 2.75Å; R346-E364 IonicContact NE-OE1 2.73Å; R346-E364 PolarHBondContact NE-OE1 3.09Å; R346-E364 IonicContact NH2-OE1 3.6Å; R346-E364 PolarHBondContact NH2-OE1 3.02Å; L355-E364 CarbonylContact C-O 3.43Å; L355-E364 WeakPolarHBondContact CA-O 3.29Å; H356-E364 PolarHBondContact CD2-O 2.81Å; H356-E364 PolarHBondContact N-O 3.23Å; H356-E364 PolarHBondContact O-N 2.84Å; T358-E364 HydrophobicContact CG2-CB 4.15Å; T358-E364 HydrophobicContact CG2-CG 3.75Å
365	W	53.6	Low	48.1	Very low	46 Å²	46	93.2 Å²	93.2	17%	0.174	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.4	174.1	-66.2	98.4	0	0	0	109.1	S351 H354 L355 I449 L472	S351-W365 WeakPolarHBondContact O-CH2 3.42Å; H354-W365 WeakPolarHBondContact O-CA 3.45Å; L355-W365 HydrophobicContact CB-CE3 4.19Å; L355-W365 HydrophobicContact CB-CZ3 4.18Å; L355-W365 HydrophobicContact CD1-CD2 3.5Å; L355-W365 HydrophobicContact CD1-CE3 3.81Å; L355-W365 HydrophobicContact CD1-CG 3.88Å; L355-W365 HydrophobicContact CD1-CH2 4.28Å; L355-W365 HydrophobicContact CD1-CZ2 4Å; L355-W365 HydrophobicContact CD1-CZ3 4.17Å; W365-I449 HydrophobicContact CH2-CG2 4.31Å; W365-L472 HydrophobicContact CH2-CD1 4.26Å; W365-L472 HydrophobicContact CZ2-CD1 3.9Å; W365-L472 HydrophobicContact CZ2-CD2 3.99Å
366	S	51.3	Low	47.1	Very low	13 Å²	13	99.5 Å²	99.5	9%	0.091	49%	0.494	C	S	.	.			trans	-71.2	146.9	167.7	59.6	0	0	0	0	110.8	H354 D368	H354-S366 PolarHBondContact CD2-OG 3.49Å; H354-S366 PolarHBondContact O-N 2.95Å; H354-S366 PolarHBondContact O-OG 2.97Å; S366-D368 VanDerWaalsContact C-N 3.31Å; S366-D368 VanDerWaalsContact CB-OD2 3.29Å; S366-D368 WeakPolarHBondContact CB-OD2 3.46Å
367	D	50.3	Low	46.2	Very low	115 Å²	115	97 Å²	97	62%	0.615	49%	0.488	S	S	*	.			trans	-93.8	11.2	172.6	-87.5	-37.4	0	0	0	111.9	R347 E369	R347-D367 IonicContact CZ-OD1 2.74Å; R347-D367 IonicContact NE-OD1 3.68Å; R347-D367 PolarHBondContact NE-OD1 2.94Å; R347-D367 IonicContact NH2-OD1 3.83Å; R347-D367 PolarHBondContact NH2-OD1 2.87Å; D367-E369 PolarHBondContact O-N 3.26Å
368	D	45.8	Very low	46	Very low	114 Å²	114	99.4 Å²	99.4	61%	0.61	50%	0.498	S	S	*	.			trans	-76	26.3	-157.8	-61.9	-29.3	0	0	0	116.9	S366 M370	S366-D368 VanDerWaalsContact C-N 3.31Å; S366-D368 VanDerWaalsContact CB-OD2 3.29Å; S366-D368 WeakPolarHBondContact CB-OD2 3.46Å; D368-M370 PolarHBondContact O-N 3.35Å
369	E	44.9	Very low	45.4	Very low	172 Å²	172	100.1 Å²	100.1	80%	0.804	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	13.9	168.6	-68.9	-172.6	152.1	0	0	113.3	D367	D367-E369 PolarHBondContact O-N 3.26Å
370	M	41.1	Very low	45	Very low	171 Å²	171	93.1 Å²	93.1	84%	0.842	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.6	17.6	176.8	-86.5	-162.7	175	0	0	116.4	D368 E372	D368-M370 PolarHBondContact O-N 3.35Å; M370-E372 PolarHBondContact O-N 2.89Å
371	D	41.3	Very low	44.5	Very low	67 Å²	67	92.2 Å²	92.2	36%	0.358	47%	0.473	S	S	.	.			trans	-78.7	105.3	163.8	-167.5	1.2	0	0	0	111	K373 S374	D371-K373 PolarHBondContact O-N 2.88Å; D371-K373 WeakPolarHBondContact OD1-CB 3.39Å; D371-K373 WeakPolarHBondContact OD1-CG 3.2Å; D371-K373 PolarHBondContact OD1-N 3.42Å; D371-S374 WeakPolarHBondContact O-CB 3.46Å; D371-S374 PolarHBondContact O-N 3.32Å; D371-S374 VanDerWaalsContact O-N 3.09Å; D371-S374 PolarHBondContact O-OG 3.47Å
372	E	40.6	Very low	44.4	Very low	162 Å²	162	94.1 Å²	94.1	76%	0.757	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-14.9	174.5	-60.6	-173.1	146.9	0	0	113.5	M370	M370-E372 PolarHBondContact O-N 2.89Å
373	K	41.3	Very low	44.4	Very low	160 Å²	160	96.2 Å²	96.2	70%	0.696	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-15.2	178.7	-56.6	165	-163.8	147.2	0	114.3	D371 K378	D371-K373 PolarHBondContact O-N 2.88Å; D371-K373 WeakPolarHBondContact OD1-CB 3.39Å; D371-K373 WeakPolarHBondContact OD1-CG 3.2Å; D371-K373 PolarHBondContact OD1-N 3.42Å; K373-K378 WeakPolarHBondContact O-CE 3.22Å; K373-K378 PolarHBondContact O-NZ 2.9Å
374	S	43.4	Very low	43.9	Very low	42 Å²	42	101 Å²	101	29%	0.294	51%	0.513	S	S	.	.	S	Bend	trans	-67.3	157.9	177.3	65.8	0	0	0	0	111.6	D371 E376 G377 K378	D371-S374 WeakPolarHBondContact O-CB 3.46Å; D371-S374 PolarHBondContact O-N 3.32Å; D371-S374 VanDerWaalsContact O-N 3.09Å; D371-S374 PolarHBondContact O-OG 3.47Å; S374-E376 VanDerWaalsContact C-N 3.27Å; S374-E376 PolarHBondContact O-N 3.2Å; S374-G377 PolarHBondContact O-N 3.06Å; S374-G377 PolarHBondContact OG-N 3.21Å; S374-K378 WeakPolarHBondContact O-CG 3.41Å; S374-K378 PolarHBondContact O-N 3.44Å
375	E	37.2	Very low	43.1	Very low	146 Å²	146	105.8 Å²	105.8	68%	0.682	53%	0.532	S	S	*	.	H	α-helix	trans	-61.8	-37.1	173.9	-69.2	-63.4	99.4	0	0	111.5	K378 A379	E375-K378 PolarHBondContact O-N 2.66Å; E375-K378 WeakPolarHBondContact OE1-CD 3.2Å; E375-K378 IonicContact OE1-NZ 3.94Å; E375-K378 PolarHBondContact OE1-NZ 2.73Å; E375-A379 WeakPolarHBondContact O-CB 3.5Å; E375-A379 PolarHBondContact O-N 2.73Å
376	E	39.1	Very low	42.1	Very low	136 Å²	136	108.9 Å²	108.9	64%	0.636	56%	0.561	S	S	*	*	H	α-helix	trans	-69.7	-36.9	176.7	-64.7	-175.8	127	0	0	112	S374 A379 A380 R450	S374-E376 VanDerWaalsContact C-N 3.27Å; S374-E376 PolarHBondContact O-N 3.2Å; E376-A379 WeakPolarHBondContact O-CB 3.27Å; E376-A379 PolarHBondContact O-N 2.83Å; E376-A380 PolarHBondContact O-N 3.17Å; E376-R450 IonicContact OE1-NH1 3.68Å; E376-R450 PolarHBondContact OE1-NH1 3.37Å
377	G	45	Very low	41.3	Very low	20 Å²	20	119 Å²	119	21%	0.206	60%	0.597	C	S	.	*	H	α-helix	trans	-61.6	-42.4	171.2	0	0	0	0	0	112.8	S374 A379 A380 F381	S374-G377 PolarHBondContact O-N 3.06Å; S374-G377 PolarHBondContact OG-N 3.21Å; G377-A379 VanDerWaalsContact C-N 3.35Å; G377-A380 PolarHBondContact O-N 3.36Å; G377-F381 WeakPolarHBondContact O-CB 3.38Å; G377-F381 PolarHBondContact O-N 2.91Å
378	K	46.2	Very low	40.4	Very low	99 Å²	99	124.7 Å²	124.7	43%	0.43	61%	0.61	S	S	.	*	H	α-helix	trans	-65.4	-36.7	172.5	-64.3	163.1	-154.6	157.4	0	112	K373 S374 E375 F381 S382	K373-K378 WeakPolarHBondContact O-CE 3.22Å; K373-K378 PolarHBondContact O-NZ 2.9Å; S374-K378 WeakPolarHBondContact O-CG 3.41Å; S374-K378 PolarHBondContact O-N 3.44Å; E375-K378 PolarHBondContact O-N 2.66Å; E375-K378 WeakPolarHBondContact OE1-CD 3.2Å; E375-K378 IonicContact OE1-NZ 3.94Å; E375-K378 PolarHBondContact OE1-NZ 2.73Å; K378-F381 PolarHBondContact O-N 3.01Å; K378-S382 WeakPolarHBondContact O-CB 3.48Å; K378-S382 PolarHBondContact O-N 3.08Å; K378-S382 PolarHBondContact O-OG 2.95Å
379	A	42.1	Very low	39.7	Very low	43 Å²	43	125.5 Å²	125.5	36%	0.355	62%	0.619	S	S	.	*	H	α-helix	trans	-64.7	-42.7	175.6	0	0	0	0	0	111.6	E375 E376 G377 S382 Q383	E375-A379 WeakPolarHBondContact O-CB 3.5Å; E375-A379 PolarHBondContact O-N 2.73Å; E376-A379 WeakPolarHBondContact O-CB 3.27Å; E376-A379 PolarHBondContact O-N 2.83Å; G377-A379 VanDerWaalsContact C-N 3.35Å; A379-S382 WeakPolarHBondContact CA-OG 3.45Å; A379-S382 PolarHBondContact O-N 2.84Å; A379-S382 PolarHBondContact O-OG 3.5Å; A379-S382 VanDerWaalsContact O-OG 3.05Å; A379-Q383 WeakPolarHBondContact O-CG 3.39Å; A379-Q383 PolarHBondContact O-N 3.48Å; A379-Q383 VanDerWaalsContact O-N 3.11Å
380	A	41.8	Very low	38.9	Very low	59 Å²	59	126.4 Å²	126.4	49%	0.488	62%	0.62	S	S	.	*	H	α-helix	trans	-61.6	-50.3	173.3	0	0	0	0	0	111.7	E376 G377 S382 Q383 E384	E376-A380 PolarHBondContact O-N 3.17Å; G377-A380 PolarHBondContact O-N 3.36Å; A380-S382 VanDerWaalsContact C-N 3.28Å; A380-S382 PolarHBondContact O-N 3.29Å; A380-Q383 PolarHBondContact O-N 3.15Å; A380-E384 PolarHBondContact O-N 3Å; A380-E384 VanDerWaalsContact O-N 3.15Å
381	F	40.2	Very low	38.3	Very low	138 Å²	138	127.3 Å²	127.3	61%	0.605	62%	0.622	S	S	*	*	H	α-helix	trans	-65.1	-28	-178.4	-162.3	-90.5	0	0	0	113.7	G377 K378 E384	G377-F381 WeakPolarHBondContact O-CB 3.38Å; G377-F381 PolarHBondContact O-N 2.91Å; K378-F381 PolarHBondContact O-N 3.01Å; F381-E384 WeakPolarHBondContact O-CB 3.35Å
382	S	40.9	Very low	37.7	Very low	71 Å²	71	132.6 Å²	132.6	50%	0.497	65%	0.645	S	S	.	*	H	α-helix	trans	-80.1	-33	175.2	52.6	0	0	0	0	113	K378 A379 A380 E384 K385	K378-S382 WeakPolarHBondContact O-CB 3.48Å; K378-S382 PolarHBondContact O-N 3.08Å; K378-S382 PolarHBondContact O-OG 2.95Å; A379-S382 WeakPolarHBondContact CA-OG 3.45Å; A379-S382 PolarHBondContact O-N 2.84Å; A379-S382 PolarHBondContact O-OG 3.5Å; A379-S382 VanDerWaalsContact O-OG 3.05Å; A380-S382 VanDerWaalsContact C-N 3.28Å; A380-S382 PolarHBondContact O-N 3.29Å; S382-E384 VanDerWaalsContact C-N 3.33Å; S382-K385 PolarHBondContact O-N 3.22Å
383	Q	42.2	Very low	37.1	Very low	140 Å²	140	132.3 Å²	132.3	65%	0.654	65%	0.648	S	S	*	*	H	α-helix	trans	-64.8	-35.7	170.5	-72.5	-172.3	30.8	0	0	112.6	A379 A380 K385 S386	A379-Q383 WeakPolarHBondContact O-CG 3.39Å; A379-Q383 PolarHBondContact O-N 3.48Å; A379-Q383 VanDerWaalsContact O-N 3.11Å; A380-Q383 PolarHBondContact O-N 3.15Å; Q383-K385 PolarHBondContact O-N 3.39Å; Q383-S386 PolarHBondContact O-N 2.91Å
384	E	40.6	Very low	37	Very low	143 Å²	143	129.4 Å²	129.4	67%	0.668	65%	0.646	S	S	*	*	H	α-helix	trans	-53.7	-34.4	175.9	-160.7	76.7	-144.2	0	0	112.5	A380 F381 S382	A380-E384 PolarHBondContact O-N 3Å; A380-E384 VanDerWaalsContact O-N 3.15Å; F381-E384 WeakPolarHBondContact O-CB 3.35Å; S382-E384 VanDerWaalsContact C-N 3.33Å
385	K	35	Very low	36.2	Very low	165 Å²	165	135.3 Å²	135.3	72%	0.717	67%	0.669	S	S	*	*	H	α-helix	trans	-77.7	-26.3	177.1	-74.8	-176.1	177.5	176.2	0	114.3	S382 Q383 R387	S382-K385 PolarHBondContact O-N 3.22Å; Q383-K385 PolarHBondContact O-N 3.39Å; K385-R387 VanDerWaalsContact C-N 3.32Å; K385-R387 PolarHBondContact O-N 3.28Å
386	S	33.3	Very low	35.7	Very low	110 Å²	110	135.2 Å²	135.2	77%	0.769	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	0.3	-170.8	-148.9	0	0	0	0	113.9	Q383	Q383-S386 PolarHBondContact O-N 2.91Å
387	R	34.2	Very low	35	Very low	225 Å²	225	133.1 Å²	133.1	85%	0.849	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	26	-169.8	-138.4	171.8	-176.8	171.2	-0.9	115.4	K385	K385-R387 VanDerWaalsContact C-N 3.32Å; K385-R387 PolarHBondContact O-N 3.28Å
388	R	32.1	Very low	34.1	Very low	236 Å²	236	138.5 Å²	138.5	89%	0.891	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-72.6	146.4	162.5	-73.5	-171.2	174.2	-169.6	-2.7	110.6
389	V	31	Very low	33	Very low	131 Å²	131	139.1 Å²	139.1	79%	0.794	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-75.4	147	-163.3	172	0	0	0	0	112.2	E391	V389-E391 PolarHBondContact O-N 2.88Å
390	K	28.7	Very low	32.2	Very low	191 Å²	191	142 Å²	142	83%	0.83	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-67.1	120.7	163.3	-80.3	-177.5	166.1	-169.3	0	109.8
391	E	28.9	Very low	31.4	Very low	190 Å²	190	144.4 Å²	144.4	89%	0.888	76%	0.76	S	S	*	*			trans	-113.7	141.7	154.3	-69.5	-171.9	136.4	0	0	108.9	V389	V389-E391 PolarHBondContact O-N 2.88Å
392	E	27.5	Very low	30.7	Very low	178 Å²	178	144 Å²	144	83%	0.832	77%	0.769	S	S	*	*			trans	-100.1	132	178.2	-59.3	178	150.2	0	0	108.5
393	N	27.8	Very low	30.1	Very low	155 Å²	155	148.2 Å²	148.2	83%	0.829	78%	0.784	S	S	*	*				-175.1	-166.8	95.6	-134.7	-10	0	0	0	109.5
394	P	40.8	Very low	29.9	Very low	99 Å²	99	146.6 Å²	146.6	64%	0.643	79%	0.786	S	S	*	*			trans	-122.1	-178.6	-134.8	37	-16	0	0	0	116.1
395	E	25.1	Very low	29.4	Very low	167 Å²	167	147.1 Å²	147.1	78%	0.78	79%	0.788	S	S	*	*			trans	129.2	132.7	144.3	-65.5	-146.7	143.7	0	0	117.6
396	I	26.7	Very low	29	Very low	144 Å²	144	148 Å²	148	74%	0.738	80%	0.795	S	S	*	*			trans	68.6	75.1	151.1	-56.9	157.1	0	0	0	118.9
397	A	24.9	Very low	28.9	Very low	92 Å²	92	148.1 Å²	148.1	76%	0.76	79%	0.786	S	S	*	*				69.6	166.3	108.2	0	0	0	0	0	124.4
398	V	25.5	Very low	28.5	Very low	132 Å²	132	145.9 Å²	145.9	80%	0.8	79%	0.785	S	S	*	*			trans	84.5	94.1	162.8	-154.9	0	0	0	0	119.6
399	S	23.3	Very low	28.2	Very low	113 Å²	113	138.9 Å²	138.9	79%	0.79	77%	0.772	S	S	*	*			trans	-3.8	137	140.9	-40.6	0	0	0	0	120.6
400	A	25.3	Very low	27.9	Very low	104 Å²	104	140.2 Å²	140.2	86%	0.86	77%	0.774	S	S	*	*				-176.3	150.4	117	0	0	0	0	0	113.9
401	S	25.4	Very low	27.8	Very low	108 Å²	108	136 Å²	136	76%	0.755	77%	0.769	S	S	*	*			trans	-79.6	163.6	170.9	50.5	0	0	0	0	113.8
402	T	25.5	Very low	27.8	Very low	131 Å²	131	132.3 Å²	132.3	80%	0.804	76%	0.759	S	S	*	*				179	144.5	126.3	-73.8	0	0	0	0	111.9
403	I	28.3	Very low	27.9	Very low	158 Å²	158	132.2 Å²	132.2	81%	0.81	76%	0.758	S	S	*	*			trans	-120.2	151.1	161.5	-24.4	175.7	0	0	0	106.7
404	P	38.1	Very low	27.8	Very low	106 Å²	106	131.4 Å²	131.4	69%	0.688	75%	0.754	S	S	*	*				-153.4	152.9	98.9	37.6	-18.9	0	0	0	118.1
405	E	30.4	Very low	27	Very low	155 Å²	155	131.2 Å²	131.2	72%	0.724	76%	0.755	S	S	*	*			trans	16.4	147.2	137.8	-49.1	-177.5	137.8	0	0	123.7
406	Q	27.2	Very low	27.1	Very low	182 Å²	182	132.9 Å²	132.9	85%	0.85	76%	0.762	S	S	*	*				171.1	162.3	114.2	-90.6	172.2	17.4	0	0	112.1
407	I	30.5	Very low	27.1	Very low	114 Å²	114	129.7 Å²	129.7	59%	0.585	77%	0.765	S	S	*	*				-168.5	156	-51.6	-118.9	169.1	0	0	0	110.6
408	Q	26.5	Very low	27.6	Very low	177 Å²	177	131.2 Å²	131.2	83%	0.827	77%	0.768	S	S	*	*			trans	69.9	158.8	161.9	-87.1	165	9.1	0	0	119.8
409	S	25.3	Very low	28.6	Very low	90 Å²	90	130.3 Å²	130.3	63%	0.629	76%	0.764	S	S	*	*			cis	-169.7	149.7	0.4	41	0	0	0	0	116.2
410	L	25	Very low	28.7	Very low	159 Å²	159	132.9 Å²	132.9	83%	0.832	77%	0.769	S	S	*	*			trans	66.7	158.3	140.6	-67.4	166.4	0	0	0	119.8
411	S	25.5	Very low	28.9	Very low	102 Å²	102	131.8 Å²	131.8	71%	0.713	76%	0.76	S	S	*	*			cis	-177.6	165.5	-3.8	40.9	0	0	0	0	110.7
412	V	30.1	Very low	29	Very low	113 Å²	113	133.6 Å²	133.6	69%	0.685	76%	0.762	S	S	*	*			cis	-179.1	156.1	-32.1	132.4	0	0	0	0	110
413	H	28.7	Very low	29.5	Very low	175 Å²	175	135.7 Å²	135.7	81%	0.81	76%	0.762	S	S	*	*			trans	71	167.9	168.8	-68.1	-45.8	0	0	0	121.6
414	D	25.2	Very low	29.4	Very low	138 Å²	138	134.1 Å²	134.1	74%	0.738	76%	0.756	S	S	*	*			cis	179.6	163.7	-46.6	-153.9	-15.7	0	0	0	111.7
415	S	25.1	Very low	29	Very low	95 Å²	95	139.8 Å²	139.8	66%	0.664	77%	0.765	S	S	*	*			trans	125.4	104.1	147.3	-52.5	0	0	0	0	121.8
416	Q	27.6	Very low	29.1	Very low	202 Å²	202	142.3 Å²	142.3	94%	0.944	77%	0.767	S	S	*	*			trans	56.6	133	131.6	-54.3	-174.5	6.9	0	0	125.2
417	G	25	Very low	29.4	Very low	78 Å²	78	142.7 Å²	142.7	80%	0.804	77%	0.769	S	S	*	*			trans	145.4	110.6	147.7	0	0	0	0	0	119.3
418	P	36.3	Very low	29.8	Very low	124 Å²	124	141.4 Å²	141.4	81%	0.805	78%	0.776	S	S	*	*			trans	-120.9	-173.5	175.4	43.4	-33.1	0	0	0	113.6
419	P	46.2	Very low	30.4	Very low	112 Å²	112	138.7 Å²	138.7	73%	0.727	78%	0.777	S	S	*	*			cis	-126.2	169.3	-24.7	38.3	-24.3	0	0	0	114.1
420	N	25.2	Very low	31.6	Very low	167 Å²	167	137.3 Å²	137.3	89%	0.893	77%	0.767	S	S	*	*			trans	-169.3	158.3	135.6	-110.1	-27.7	0	0	0	114.4
421	A	30.2	Very low	33.4	Very low	82 Å²	82	135.1 Å²	135.1	68%	0.678	76%	0.764	S	S	*	*			trans	-61.6	143.4	-172.5	0	0	0	0	0	114.7
422	N	27.9	Very low	35.9	Very low	146 Å²	146	131.6 Å²	131.6	78%	0.781	74%	0.741	S	S	*	*				-164.6	158.1	73.3	-93.4	-16.4	0	0	0	114.1
423	E	34.9	Very low	38.3	Very low	174 Å²	174	127 Å²	127	81%	0.813	71%	0.713	S	S	*	*			trans	50.5	75.9	152.2	-62.1	-172.7	155.5	0	0	119.8	Y425	E423-Y425 PolarHBondContact O-N 3.39Å
424	D	26.5	Very low	41	Very low	126 Å²	126	122.1 Å²	122.1	67%	0.674	69%	0.693	S	S	*	*			trans	-84.8	82.9	170.2	-148.7	38	0	0	0	110.8	R426	D424-R426 PolarHBondContact O-N 3.06Å; D424-R426 VanDerWaalsContact O-N 3.16Å; D424-R426 IonicContact OD2-CZ 3.41Å; D424-R426 IonicContact OD2-NE 3.27Å; D424-R426 PolarHBondContact OD2-NE 2.93Å; D424-R426 VanDerWaalsContact OD2-NE 3.16Å; D424-R426 IonicContact OD2-NH2 2.74Å
425	Y	30	Very low	43.8	Very low	224 Å²	224	115.6 Å²	115.6	88%	0.878	66%	0.658	S	S	*	*			trans	-72.1	100.1	164.1	-104.6	-88.6	0	0	0	108.7	E423 E427	E423-Y425 PolarHBondContact O-N 3.39Å; Y425-E427 PolarHBondContact O-N 3.33Å; Y425-E427 VanDerWaalsContact O-N 3.16Å
426	R	31.9	Very low	46.7	Very low	208 Å²	208	111.7 Å²	111.7	79%	0.785	63%	0.63	S	S	*	*			trans	-77.3	102.5	-179.4	-70.2	-174.5	175.5	-170.9	-3.2	111.9	D424 A428	D424-R426 PolarHBondContact O-N 3.06Å; D424-R426 VanDerWaalsContact O-N 3.16Å; D424-R426 IonicContact OD2-CZ 3.41Å; D424-R426 IonicContact OD2-NE 3.27Å; D424-R426 PolarHBondContact OD2-NE 2.93Å; D424-R426 VanDerWaalsContact OD2-NE 3.16Å; D424-R426 IonicContact OD2-NH2 2.74Å; R426-A428 VanDerWaalsContact C-N 3.31Å; R426-A428 PolarHBondContact O-N 3.2Å
427	E	34.6	Very low	49.6	Very low	190 Å²	190	102.1 Å²	102.1	89%	0.888	59%	0.585	S	S	*	*			trans	-63.6	92.3	157.9	-70.4	-171.7	132.1	0	0	109.7	Y425 S429	Y425-E427 PolarHBondContact O-N 3.33Å; Y425-E427 VanDerWaalsContact O-N 3.16Å; E427-S429 PolarHBondContact O-N 3.13Å
428	A	37.3	Very low	52.7	Low	87 Å²	87	102.7 Å²	102.7	72%	0.719	56%	0.563	S	S	*	*			trans	-74	100.9	163.7	0	0	0	0	0	108	R426 S430	R426-A428 VanDerWaalsContact C-N 3.31Å; R426-A428 PolarHBondContact O-N 3.2Å; A428-S430 PolarHBondContact O-N 3.36Å
429	S	40.4	Very low	55.2	Low	121 Å²	121	97.2 Å²	97.2	85%	0.846	53%	0.527	S	S	*	.			trans	-56.6	107	178.4	-45.7	0	0	0	0	110.4	E427 C431	E427-S429 PolarHBondContact O-N 3.13Å; S429-C431 PolarHBondContact O-N 2.92Å; S429-C431 VanDerWaalsContact O-N 3.08Å
430	S	50.9	Low	57	Low	61 Å²	61	95.7 Å²	95.7	43%	0.427	51%	0.507	S	S	.	.			trans	-74.7	100.5	-178.3	39.9	0	0	0	0	110.2	A428 A432 P455	A428-S430 PolarHBondContact O-N 3.36Å; S430-A432 PolarHBondContact O-N 2.94Å; S430-P455 WeakPolarHBondContact CB-O 3.43Å; S430-P455 PolarHBondContact OG-O 2.78Å
431	C	62.5	Low	59.6	Low	113 Å²	113	89 Å²	89	76%	0.764	47%	0.471	S	S	*	.			trans	-58.1	123.5	167	-174	0	0	0	0	108.5	S429	S429-C431 PolarHBondContact O-N 2.92Å; S429-C431 VanDerWaalsContact O-N 3.08Å
432	A	76.4	Confident	61.6	Low	28 Å²	28	91.1 Å²	91.1	23%	0.231	48%	0.481	C	S	.	.			trans	-65.8	153.3	179	0	0	0	0	0	111.2	S430 E452 F453	S430-A432 PolarHBondContact O-N 2.94Å; A432-E452 HydrophobicContact CB-CG 3.58Å; A432-E452 WeakPolarHBondContact CB-OE1 3.36Å; A432-F453 WeakPolarHBondContact CA-O 3.19Å
433	V	82.4	Confident	63.7	Low	16 Å²	16	90.8 Å²	90.8	10%	0.097	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.8	-174.6	-171.4	0	0	0	0	108.6	L435 F453 P455 P492 V525	V433-L435 HydrophobicContact CG1-CD2 3.74Å; V433-L435 HydrophobicContact CG1-CG 4.07Å; V433-F453 PolarHBondContact N-O 2.73Å; V433-F453 PolarHBondContact O-N 3.05Å; V433-P455 HydrophobicContact CG2-CG 4.49Å; V433-P492 HydrophobicContact CG1-CB 4.17Å; V433-V525 HydrophobicContact CG1-CG1 3.97Å; V433-V525 HydrophobicContact CG1-CG2 4.42Å
434	N	83.6	Confident	65.8	Low	73 Å²	73	85.7 Å²	85.7	39%	0.39	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	123.5	172.8	-77.1	-71.9	0	0	0	109.7	V525 S526	N434-V525 WeakPolarHBondContact O-CA 3.2Å; N434-S526 PolarHBondContact O-N 3.28Å
435	L	84.2	Confident	68.3	Low	1 Å²	1	84 Å²	84	1%	0.005	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.9	-174.8	-65.2	178.4	0	0	0	111.4	V433 R450 F451 F453 L485 I488 V489 L523 S524 V525	V433-L435 HydrophobicContact CG1-CD2 3.74Å; V433-L435 HydrophobicContact CG1-CG 4.07Å; L435-R450 CarbonylContact O-C 3.59Å; L435-R450 WeakPolarHBondContact O-CA 3.43Å; L435-F451 HydrophobicContact CB-CD2 4.43Å; L435-F451 HydrophobicContact CB-CE1 4.08Å; L435-F451 HydrophobicContact CB-CE2 4Å; L435-F451 HydrophobicContact CB-CZ 3.81Å; L435-F451 HydrophobicContact CD1-CE2 3.85Å; L435-F451 HydrophobicContact CD1-CZ 4.02Å; L435-F451 PolarHBondContact N-O 2.76Å; L435-F451 PolarHBondContact O-N 3.11Å; L435-F453 HydrophobicContact CD1-CB 3.93Å; L435-L485 HydrophobicContact CD1-CD1 3.32Å; L435-I488 HydrophobicContact CD1-CG2 4.04Å; L435-I488 HydrophobicContact CD2-CD1 4.47Å; L435-I488 HydrophobicContact CD2-CG2 3.68Å; L435-V489 HydrophobicContact CD1-CG2 4.23Å; L435-L523 HydrophobicContact CB-CD1 4.3Å; L435-S524 CarbonylContact C-O 3.57Å; L435-S524 WeakPolarHBondContact CA-O 3.35Å; L435-V525 HydrophobicContact CD2-CB 4.46Å; L435-V525 HydrophobicContact CD2-CG2 3.96Å
436	V	86.4	Confident	70.7	Confident	13 Å²	13	77 Å²	77	8%	0.079	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	115.2	172	-170.9	0	0	0	0	108.9	D448 I449 R450 L523 S524	V436-D448 HydrophobicContact CG1-CB 4.1Å; V436-I449 WeakPolarHBondContact CA-O 3.49Å; V436-R450 HydrophobicContact CG1-CG 4.15Å; V436-R450 HydrophobicContact CG2-CB 4.44Å; V436-R450 HydrophobicContact CG2-CG 3.94Å; V436-L523 WeakPolarHBondContact O-CA 3.31Å; V436-S524 PolarHBondContact N-O 3.5Å; V436-S524 PolarHBondContact O-N 3.41Å; V436-S524 PolarHBondContact O-OG 3.16Å
437	L	88.3	Confident	72.7	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.005	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112	169.4	179.2	65.1	0	0	0	108.9	L439 I449 F451 L467 V473 V481 F500 A521 L523	L437-L439 HydrophobicContact CD2-CD2 4.23Å; L437-L439 HydrophobicContact CG-CD2 4.1Å; L437-I449 HydrophobicContact CD2-CD1 4.42Å; L437-I449 PolarHBondContact N-O 2.99Å; L437-I449 PolarHBondContact O-N 2.85Å; L437-F451 HydrophobicContact CB-CE1 3.95Å; L437-L467 HydrophobicContact CD2-CD1 4.19Å; L437-V473 HydrophobicContact CD2-CG2 3.93Å; L437-V481 HydrophobicContact CD2-CG1 4.17Å; L437-F500 HydrophobicContact CD1-CE1 4.33Å; L437-F500 HydrophobicContact CD1-CZ 4.05Å; L437-A521 HydrophobicContact CD1-CB 4.21Å; L437-L523 HydrophobicContact CB-CD1 3.94Å; L437-L523 HydrophobicContact CD1-CB 4.39Å; L437-L523 HydrophobicContact CD1-CD1 4.24Å
438	R	90	Very high	75	Confident	90 Å²	90	60.3 Å²	60.3	34%	0.34	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.3	173.9	177.5	177.7	-76.1	156.3	-0.4	110.2	L446 N447 D448 L517 A521 Q522	R438-L446 HydrophobicContact CG-CD2 4.39Å; R438-N447 VanDerWaalsContact CA-O 3.31Å; R438-N447 WeakPolarHBondContact CA-O 3.29Å; R438-D448 WeakPolarHBondContact CG-OD1 3.49Å; R438-D448 IonicContact CZ-OD1 2.79Å; R438-D448 IonicContact CZ-OD2 2.65Å; R438-D448 IonicContact NE-OD1 3.9Å; R438-D448 PolarHBondContact NE-OD1 2.72Å; R438-D448 IonicContact NE-OD2 3.16Å; R438-D448 IonicContact NH2-OD1 3.28Å; R438-D448 PolarHBondContact NH2-OD1 2.72Å; R438-D448 IonicContact NH2-OD2 2.58Å; R438-D448 PolarHBondContact NH2-OD2 2.9Å; R438-L517 HydrophobicContact CB-CD1 4.33Å; R438-L517 HydrophobicContact CG-CD1 3.6Å; R438-A521 CarbonylContact O-C 3.58Å; R438-A521 WeakPolarHBondContact O-CA 3.46Å; R438-Q522 HydrophobicContact CB-CB 4.44Å; R438-Q522 PolarHBondContact N-O 3.4Å; R438-Q522 PolarHBondContact O-N 2.92Å
439	L	89.4	Confident	77	Confident	9 Å²	9	56.3 Å²	56.3	5%	0.047	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	171.1	173.2	76.1	161.2	0	0	0	111.5	L437 N447 I449 A521	L437-L439 HydrophobicContact CD2-CD2 4.23Å; L437-L439 HydrophobicContact CG-CD2 4.1Å; L439-N447 PolarHBondContact N-O 3.46Å; L439-N447 VanDerWaalsContact N-O 3.15Å; L439-N447 PolarHBondContact O-N 2.75Å; L439-I449 HydrophobicContact CD2-CD1 3.59Å; L439-A521 HydrophobicContact CB-CB 3.77Å
440	R	84.6	Confident	78.9	Confident	79 Å²	79	54.8 Å²	54.8	30%	0.298	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133.6	170.5	-72.9	-175.5	-175.8	-93.6	-4	111.2	K444 E445 L446 K516 L517	R440-K444 PolarHBondContact NH1-O 2.82Å; R440-E445 CarbonylContact C-O 3.55Å; R440-E445 VanDerWaalsContact CA-O 3.27Å; R440-E445 WeakPolarHBondContact CA-O 3.48Å; R440-L446 HydrophobicContact CG-CD2 3.63Å; R440-L446 HydrophobicContact CG-CG 4.23Å; R440-K516 VanDerWaalsContact CZ-O 3.31Å; R440-K516 PolarHBondContact NE-O 2.92Å; R440-K516 PolarHBondContact NH2-O 2.9Å; R440-L517 WeakPolarHBondContact CD-O 3.4Å; R440-L517 WeakPolarHBondContact CG-O 3.43Å; R440-L517 PolarHBondContact NE-O 3.2Å; R440-L517 VanDerWaalsContact NE-O 3.15Å
441	N	78.6	Confident	80.2	Confident	26 Å²	26	52 Å²	52	14%	0.139	26%	0.264	C	S	.	.			trans	-78	176.3	173.7	74.8	13.5	0	0	0	111.6	R443 K444 E445	N441-R443 PolarHBondContact O-N 3.09Å; N441-R443 VanDerWaalsContact OD1-CA 3.26Å; N441-R443 WeakPolarHBondContact OD1-CA 3.5Å; N441-R443 VanDerWaalsContact OD1-CB 3.29Å; N441-R443 WeakPolarHBondContact OD1-CB 2.97Å; N441-R443 PolarHBondContact OD1-N 3.41Å; N441-K444 WeakPolarHBondContact O-CA 3.41Å; N441-K444 PolarHBondContact O-N 3.09Å; N441-K444 PolarHBondContact OD1-N 3.49Å; N441-K444 VanDerWaalsContact OD1-N 3.08Å; N441-E445 PolarHBondContact N-O 3.39Å; N441-E445 PolarHBondContact ND2-OE2 2.88Å; N441-E445 PolarHBondContact OD1-N 2.69Å
442	S	72.4	Confident	81.1	Confident	128 Å²	128	50.8 Å²	50.8	90%	0.895	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-5.9	177.9	56.2	0	0	0	0	115.2
443	R	72.8	Confident	81.3	Confident	139 Å²	139	49.6 Å²	49.6	53%	0.525	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	2.6	170.3	-44	-175.2	-163.7	149	4.5	112.6	N441 E445	N441-R443 PolarHBondContact O-N 3.09Å; N441-R443 VanDerWaalsContact OD1-CA 3.26Å; N441-R443 WeakPolarHBondContact OD1-CA 3.5Å; N441-R443 VanDerWaalsContact OD1-CB 3.29Å; N441-R443 WeakPolarHBondContact OD1-CB 2.97Å; N441-R443 PolarHBondContact OD1-N 3.41Å; R443-E445 HydrophobicContact CB-CG 4.2Å; R443-E445 WeakPolarHBondContact CD-OE2 3.46Å; R443-E445 IonicContact NH1-OE2 2.71Å; R443-E445 PolarHBondContact O-N 2.97Å
444	K	78.8	Confident	81.3	Confident	67 Å²	67	50 Å²	50	29%	0.291	24%	0.24	S	C	.	.	S	Bend	trans	68.3	13.4	-176.4	-43.8	-165.8	179.3	-156.6	0	115.1	R440 N441 D507 E510	R440-K444 PolarHBondContact NH1-O 2.82Å; N441-K444 WeakPolarHBondContact O-CA 3.41Å; N441-K444 PolarHBondContact O-N 3.09Å; N441-K444 PolarHBondContact OD1-N 3.49Å; N441-K444 VanDerWaalsContact OD1-N 3.08Å; K444-D507 WeakPolarHBondContact CE-OD2 3.29Å; K444-D507 IonicContact NZ-OD2 3.66Å; K444-D507 PolarHBondContact NZ-OD2 3.32Å; K444-E510 WeakPolarHBondContact CD-OE1 3.43Å; K444-E510 IonicContact NZ-OE1 2.65Å; K444-E510 PolarHBondContact NZ-OE1 2.73Å; K444-E510 IonicContact NZ-OE2 2.65Å; K444-E510 PolarHBondContact NZ-OE2 2.74Å
445	E	79.8	Confident	81.1	Confident	90 Å²	90	48.4 Å²	48.4	42%	0.421	23%	0.233	S	C	.	.			trans	-77.1	144.6	172.9	-55.9	159.3	142.9	0	0	108.9	R440 N441 R443	R440-E445 CarbonylContact C-O 3.55Å; R440-E445 VanDerWaalsContact CA-O 3.27Å; R440-E445 WeakPolarHBondContact CA-O 3.48Å; N441-E445 PolarHBondContact N-O 3.39Å; N441-E445 PolarHBondContact ND2-OE2 2.88Å; N441-E445 PolarHBondContact OD1-N 2.69Å; R443-E445 HydrophobicContact CB-CG 4.2Å; R443-E445 WeakPolarHBondContact CD-OE2 3.46Å; R443-E445 IonicContact NH1-OE2 2.71Å; R443-E445 PolarHBondContact O-N 2.97Å
446	L	80.6	Confident	80.6	Confident	78 Å²	78	52.5 Å²	52.5	41%	0.408	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	124	172.4	-75	168.4	0	0	0	109.1	R438 R440 L517	R438-L446 HydrophobicContact CG-CD2 4.39Å; R440-L446 HydrophobicContact CG-CD2 3.63Å; R440-L446 HydrophobicContact CG-CG 4.23Å; L446-L517 HydrophobicContact CD2-CB 4Å; L446-L517 HydrophobicContact CD2-CD1 4.26Å
447	N	73.9	Confident	80	Confident	16 Å²	16	59.6 Å²	59.6	9%	0.086	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.3	176.8	-83.6	4.8	0	0	0	110.1	G350 R438 L439	G350-N447 VanDerWaalsContact C-ND2 3.3Å; G350-N447 WeakPolarHBondContact CA-ND2 3.43Å; G350-N447 PolarHBondContact O-ND2 2.88Å; G350-N447 PolarHBondContact O-OD1 3.14Å; R438-N447 VanDerWaalsContact CA-O 3.31Å; R438-N447 WeakPolarHBondContact CA-O 3.29Å; L439-N447 PolarHBondContact N-O 3.46Å; L439-N447 VanDerWaalsContact N-O 3.15Å; L439-N447 PolarHBondContact O-N 2.75Å
448	D	80.9	Confident	79.6	Confident	31 Å²	31	60.4 Å²	60.4	17%	0.166	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	113.4	170	-70.1	3	0	0	0	108.3	S352 G353 V436 R438	S352-D448 WeakPolarHBondContact CA-O 3.29Å; S352-D448 WeakPolarHBondContact CB-O 3.26Å; S352-D448 PolarHBondContact OG-N 3.44Å; G353-D448 PolarHBondContact N-O 2.72Å; V436-D448 HydrophobicContact CG1-CB 4.1Å; R438-D448 WeakPolarHBondContact CG-OD1 3.49Å; R438-D448 IonicContact CZ-OD1 2.79Å; R438-D448 IonicContact CZ-OD2 2.65Å; R438-D448 IonicContact NE-OD1 3.9Å; R438-D448 PolarHBondContact NE-OD1 2.72Å; R438-D448 IonicContact NE-OD2 3.16Å; R438-D448 IonicContact NH2-OD1 3.28Å; R438-D448 PolarHBondContact NH2-OD1 2.72Å; R438-D448 IonicContact NH2-OD2 2.58Å; R438-D448 PolarHBondContact NH2-OD2 2.9Å
449	I	79.8	Confident	79.4	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.015	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	109.1	173.8	-54.1	157.7	0	0	0	106.8	W365 V436 L437 L439 F451 L467 L472	W365-I449 HydrophobicContact CH2-CG2 4.31Å; V436-I449 WeakPolarHBondContact CA-O 3.49Å; L437-I449 HydrophobicContact CD2-CD1 4.42Å; L437-I449 PolarHBondContact N-O 2.99Å; L437-I449 PolarHBondContact O-N 2.85Å; L439-I449 HydrophobicContact CD2-CD1 3.59Å; I449-F451 HydrophobicContact CG2-CD1 4.3Å; I449-L467 HydrophobicContact CG2-CD2 4.1Å; I449-L472 HydrophobicContact CD1-CB 3.79Å; I449-L472 HydrophobicContact CD1-CD1 4.44Å; I449-L472 HydrophobicContact CG2-CD1 4.23Å
450	R	80.8	Confident	79.2	Confident	88 Å²	88	59.8 Å²	59.8	33%	0.332	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	133.1	174	-46.4	-173.8	176.6	-151.5	0.6	109.4	G353 H354 L355 E376 L435 V436	G353-R450 WeakPolarHBondContact O-CG 3.47Å; G353-R450 PolarHBondContact O-N 3.15Å; G353-R450 VanDerWaalsContact O-N 3.13Å; H354-R450 HydrophobicContact CB-CB 4.21Å; L355-R450 WeakPolarHBondContact CB-O 3.18Å; L355-R450 PolarHBondContact N-O 3.06Å; E376-R450 IonicContact OE1-NH1 3.68Å; E376-R450 PolarHBondContact OE1-NH1 3.37Å; L435-R450 CarbonylContact O-C 3.59Å; L435-R450 WeakPolarHBondContact O-CA 3.43Å; V436-R450 HydrophobicContact CG1-CG 4.15Å; V436-R450 HydrophobicContact CG2-CB 4.44Å; V436-R450 HydrophobicContact CG2-CG 3.94Å
451	F	78.2	Confident	79.1	Confident	3 Å²	3	61.2 Å²	61.2	1%	0.013	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	157.2	179.1	62.2	-82	0	0	0	110.9	W363 L435 L437 I449 V463 L485 L523	W363-F451 HydrophobicContact CH2-CB 4.13Å; W363-F451 HydrophobicContact CZ3-CB 4.11Å; L435-F451 HydrophobicContact CB-CD2 4.43Å; L435-F451 HydrophobicContact CB-CE1 4.08Å; L435-F451 HydrophobicContact CB-CE2 4Å; L435-F451 HydrophobicContact CB-CZ 3.81Å; L435-F451 HydrophobicContact CD1-CE2 3.85Å; L435-F451 HydrophobicContact CD1-CZ 4.02Å; L435-F451 PolarHBondContact N-O 2.76Å; L435-F451 PolarHBondContact O-N 3.11Å; L437-F451 HydrophobicContact CB-CE1 3.95Å; I449-F451 HydrophobicContact CG2-CD1 4.3Å; F451-V463 HydrophobicContact CD2-CG1 4.12Å; F451-V463 HydrophobicContact CE2-CG1 3.8Å; F451-L485 HydrophobicContact CE2-CD1 4.17Å; F451-L485 HydrophobicContact CZ-CD1 4.15Å; F451-L523 HydrophobicContact CE1-CD1 4.37Å; F451-L523 HydrophobicContact CZ-CD1 4.2Å
452	E	81.9	Confident	79	Confident	87 Å²	87	61.1 Å²	61.1	41%	0.407	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	141.7	172.6	-174.8	174.1	-117.3	0	0	110.3	A432	A432-E452 HydrophobicContact CB-CG 3.58Å; A432-E452 WeakPolarHBondContact CB-OE1 3.36Å
453	F	80.9	Confident	79.3	Confident	3 Å²	3	55.1 Å²	55.1	1%	0.013	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.9	171.5	-173.4	-76.4	0	0	0	109.7	A432 V433 L435 P455 D458 V463 L485 V489	A432-F453 WeakPolarHBondContact CA-O 3.19Å; V433-F453 PolarHBondContact N-O 2.73Å; V433-F453 PolarHBondContact O-N 3.05Å; L435-F453 HydrophobicContact CD1-CB 3.93Å; F453-P455 HydrophobicContact CD1-CG 4.31Å; F453-P455 HydrophobicContact CE1-CG 4.42Å; F453-P455 WeakPolarHBondContact O-CD 3.45Å; F453-D458 HydrophobicContact CD1-CB 4.5Å; F453-D458 HydrophobicContact CD2-CB 4.07Å; F453-D458 HydrophobicContact CE1-CB 4.23Å; F453-D458 HydrophobicContact CE2-CB 3.81Å; F453-D458 HydrophobicContact CG-CB 4.4Å; F453-D458 HydrophobicContact CZ-CB 3.89Å; F453-D458 WeakPolarHBondContact CZ-O 3.36Å; F453-V463 HydrophobicContact CD2-CG2 3.92Å; F453-V463 HydrophobicContact CE2-CG2 3.93Å; F453-L485 HydrophobicContact CD2-CD1 4.16Å; F453-L485 HydrophobicContact CD2-CD2 4.29Å; F453-L485 HydrophobicContact CD2-CG 4.41Å; F453-L485 HydrophobicContact CE2-CD2 4.29Å; F453-L485 HydrophobicContact CE2-CG 4.39Å; F453-V489 HydrophobicContact CB-CG2 4.5Å; F453-V489 HydrophobicContact CD1-CB 4.42Å; F453-V489 HydrophobicContact CD1-CG1 3.83Å; F453-V489 HydrophobicContact CD1-CG2 3.63Å; F453-V489 HydrophobicContact CD2-CG2 4.23Å; F453-V489 HydrophobicContact CE1-CB 4.3Å; F453-V489 HydrophobicContact CE1-CG1 3.49Å; F453-V489 VanDerWaalsContact CE1-CG1 3.49Å; F453-V489 HydrophobicContact CE1-CG2 3.87Å; F453-V489 HydrophobicContact CE2-CG2 4.42Å; F453-V489 HydrophobicContact CG-CG2 3.85Å; F453-V489 HydrophobicContact CZ-CG1 4.2Å; F453-V489 HydrophobicContact CZ-CG2 4.25Å
454	T	82.2	Confident	79.7	Confident	26 Å²	26	48.5 Å²	48.5	16%	0.16	26%	0.264	C	S	.	.			trans	-106.5	104.7	179.8	-57.7	0	0	0	0	110.9	G456 R457 D458	T454-G456 PolarHBondContact O-N 2.71Å; T454-R457 HydrophobicContact CG2-CB 3.85Å; T454-R457 PolarHBondContact O-N 3.15Å; T454-D458 WeakPolarHBondContact CB-OD2 3.46Å; T454-D458 PolarHBondContact N-OD2 3.34Å; T454-D458 PolarHBondContact O-N 3.31Å
455	P	77.9	Confident	79.5	Confident	38 Å²	38	49.8 Å²	49.8	25%	0.247	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-56.5	129	179.8	-24.3	33.4	0	0	0	112.5	S430 V433 F453 R457 V489	S430-P455 WeakPolarHBondContact CB-O 3.43Å; S430-P455 PolarHBondContact OG-O 2.78Å; V433-P455 HydrophobicContact CG2-CG 4.49Å; F453-P455 HydrophobicContact CD1-CG 4.31Å; F453-P455 HydrophobicContact CE1-CG 4.42Å; F453-P455 WeakPolarHBondContact O-CD 3.45Å; P455-R457 VanDerWaalsContact C-N 3.31Å; P455-R457 PolarHBondContact O-N 2.84Å; P455-V489 HydrophobicContact CG-CG1 4.33Å
456	G	73.9	Confident	79.3	Confident	88 Å²	88	48.4 Å²	48.4	91%	0.907	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-15.9	-177.6	0	0	0	0	0	115.1	T454	T454-G456 PolarHBondContact O-N 2.71Å
457	R	75.3	Confident	79.1	Confident	161 Å²	161	44.8 Å²	44.8	61%	0.608	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-46.9	165.8	-178.4	-171.4	-174.8	-167.3	0.9	110.7	T454 P455	T454-R457 HydrophobicContact CG2-CB 3.85Å; T454-R457 PolarHBondContact O-N 3.15Å; P455-R457 VanDerWaalsContact C-N 3.31Å; P455-R457 PolarHBondContact O-N 2.84Å
458	D	78.3	Confident	79.4	Confident	19 Å²	19	48 Å²	48	10%	0.102	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-101	152.2	-178.4	-57.6	-62	0	0	0	111.3	K357 F453 T454 V463	K357-D458 IonicContact NZ-OD1 2.91Å; F453-D458 HydrophobicContact CD1-CB 4.5Å; F453-D458 HydrophobicContact CD2-CB 4.07Å; F453-D458 HydrophobicContact CE1-CB 4.23Å; F453-D458 HydrophobicContact CE2-CB 3.81Å; F453-D458 HydrophobicContact CG-CB 4.4Å; F453-D458 HydrophobicContact CZ-CB 3.89Å; F453-D458 WeakPolarHBondContact CZ-O 3.36Å; T454-D458 WeakPolarHBondContact CB-OD2 3.46Å; T454-D458 PolarHBondContact N-OD2 3.34Å; T454-D458 PolarHBondContact O-N 3.31Å; D458-V463 HydrophobicContact CB-CG2 3.95Å
459	T	87.4	Confident	78.6	Confident	86 Å²	86	50.8 Å²	50.8	53%	0.528	28%	0.281	S	S	.	.			trans	-120.1	148.9	170.6	63.4	0	0	0	0	109.4	D461 G462 V463	T459-D461 PolarHBondContact O-N 2.58Å; T459-G462 PolarHBondContact O-N 2.89Å; T459-G462 PolarHBondContact OG1-N 2.91Å; T459-G462 VanDerWaalsContact OG1-N 3.16Å; T459-V463 PolarHBondContact O-N 2.88Å
460	A	85.3	Confident	77.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-47.2	-179.2	0	0	0	0	0	111.5	G462 V463 S464 A482 L485 Q486	A460-G462 VanDerWaalsContact C-N 3.32Å; A460-G462 PolarHBondContact O-N 3.44Å; A460-V463 PolarHBondContact O-N 2.9Å; A460-S464 WeakPolarHBondContact O-CB 3.31Å; A460-S464 PolarHBondContact O-N 3.19Å; A460-A482 HydrophobicContact CB-CB 3.74Å; A460-A482 WeakPolarHBondContact O-CB 3.37Å; A460-L485 HydrophobicContact CB-CB 4.09Å; A460-L485 HydrophobicContact CB-CD2 4.17Å; A460-L485 HydrophobicContact CB-CG 3.92Å; A460-Q486 HydrophobicContact CB-CB 3.78Å
461	D	82.3	Confident	77.4	Confident	109 Å²	109	51.2 Å²	51.2	58%	0.583	31%	0.31	S	S	*	.	H	α-helix	trans	-59.2	-41.4	176.5	-60.5	-88.6	0	0	0	112.4	T459 S464 Q465	T459-D461 PolarHBondContact O-N 2.58Å; D461-S464 PolarHBondContact O-N 3.43Å; D461-Q465 VanDerWaalsContact O-CB 3.25Å; D461-Q465 WeakPolarHBondContact O-CB 3.27Å; D461-Q465 PolarHBondContact O-N 2.93Å
462	G	75.4	Confident	77.3	Confident	24 Å²	24	52 Å²	52	25%	0.247	31%	0.314	C	S	.	.	H	α-helix	trans	-60.9	-54.4	176.7	0	0	0	0	0	112	T459 A460 S464 Q465 E466	T459-G462 PolarHBondContact O-N 2.89Å; T459-G462 PolarHBondContact OG1-N 2.91Å; T459-G462 VanDerWaalsContact OG1-N 3.16Å; A460-G462 VanDerWaalsContact C-N 3.32Å; A460-G462 PolarHBondContact O-N 3.44Å; G462-S464 VanDerWaalsContact C-N 3.31Å; G462-S464 PolarHBondContact O-N 2.65Å; G462-Q465 PolarHBondContact O-N 3.47Å; G462-E466 WeakPolarHBondContact O-CB 3.32Å; G462-E466 VanDerWaalsContact O-CG 3.29Å; G462-E466 WeakPolarHBondContact O-CG 3.49Å; G462-E466 PolarHBondContact O-N 2.95Å
463	V	78	Confident	77.2	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-38.8	179.4	173.5	0	0	0	0	111.5	W363 F451 F453 D458 T459 A460 E466 L467 L485	W363-V463 HydrophobicContact CZ2-CG1 4.5Å; F451-V463 HydrophobicContact CD2-CG1 4.12Å; F451-V463 HydrophobicContact CE2-CG1 3.8Å; F453-V463 HydrophobicContact CD2-CG2 3.92Å; F453-V463 HydrophobicContact CE2-CG2 3.93Å; D458-V463 HydrophobicContact CB-CG2 3.95Å; T459-V463 PolarHBondContact O-N 2.88Å; A460-V463 PolarHBondContact O-N 2.9Å; V463-E466 PolarHBondContact O-N 2.91Å; V463-L467 HydrophobicContact CG1-CD1 4.2Å; V463-L467 HydrophobicContact CG1-CG 4.47Å; V463-L467 WeakPolarHBondContact O-CB 3.44Å; V463-L467 VanDerWaalsContact O-CG 3.29Å; V463-L467 WeakPolarHBondContact O-CG 3.47Å; V463-L467 PolarHBondContact O-N 2.98Å; V463-L485 HydrophobicContact CB-CD2 3.85Å; V463-L485 HydrophobicContact CG1-CD2 3.8Å
464	S	82.6	Confident	77.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-69.4	-35.8	176.6	-167.3	0	0	0	0	113.3	A460 D461 G462 L467 F468 V478 V481 A482	A460-S464 WeakPolarHBondContact O-CB 3.31Å; A460-S464 PolarHBondContact O-N 3.19Å; D461-S464 PolarHBondContact O-N 3.43Å; G462-S464 VanDerWaalsContact C-N 3.31Å; G462-S464 PolarHBondContact O-N 2.65Å; S464-L467 PolarHBondContact O-N 3.4Å; S464-F468 PolarHBondContact O-N 3.17Å; S464-F468 VanDerWaalsContact O-N 3.09Å; S464-V478 PolarHBondContact OG-O 2.87Å; S464-V481 WeakPolarHBondContact OG-CB 3.36Å; S464-V481 WeakPolarHBondContact OG-CG1 3.44Å; S464-A482 VanDerWaalsContact CB-CB 3.47Å
465	Q	74.7	Confident	77.4	Confident	95 Å²	95	52.3 Å²	52.3	44%	0.444	33%	0.326	S	S	.	.	H	α-helix	trans	-69.1	-35.8	174.8	-174.1	64	41.1	0	0	111.3	D461 G462 S469	D461-Q465 VanDerWaalsContact O-CB 3.25Å; D461-Q465 WeakPolarHBondContact O-CB 3.27Å; D461-Q465 PolarHBondContact O-N 2.93Å; G462-Q465 PolarHBondContact O-N 3.47Å; Q465-S469 WeakPolarHBondContact O-CB 3.46Å; Q465-S469 PolarHBondContact O-N 3.43Å; Q465-S469 PolarHBondContact O-OG 3.21Å
466	E	75.7	Confident	77.9	Confident	61 Å²	61	57 Å²	57	29%	0.285	35%	0.345	S	S	.	.	H	α-helix	trans	-65.3	-45.4	172	-71.2	170.3	173.1	0	0	111.4	K357 W363 G462 V463 F468 S469 A470	K357-E466 IonicContact NZ-OE1 2.61Å; K357-E466 PolarHBondContact NZ-OE1 3.42Å; K357-E466 IonicContact NZ-OE2 3.47Å; K357-E466 PolarHBondContact NZ-OE2 3.48Å; W363-E466 PolarHBondContact NE1-OE2 2.8Å; G462-E466 WeakPolarHBondContact O-CB 3.32Å; G462-E466 VanDerWaalsContact O-CG 3.29Å; G462-E466 WeakPolarHBondContact O-CG 3.49Å; G462-E466 PolarHBondContact O-N 2.95Å; V463-E466 PolarHBondContact O-N 2.91Å; E466-F468 VanDerWaalsContact C-N 3.35Å; E466-F468 PolarHBondContact O-N 3.36Å; E466-S469 CarbonylContact O-C 3.53Å; E466-S469 WeakPolarHBondContact O-CB 3.41Å; E466-S469 PolarHBondContact O-N 2.93Å; E466-S469 VanDerWaalsContact O-N 3.09Å; E466-A470 PolarHBondContact O-N 2.92Å
467	L	76.4	Confident	78.7	Confident	2 Å²	2	53 Å²	53	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-37.5	176	-74.2	171.9	0	0	0	113.2	L355 L437 I449 V463 S464 G471 L472 V473	L355-L467 HydrophobicContact CD2-CD2 4.39Å; L437-L467 HydrophobicContact CD2-CD1 4.19Å; I449-L467 HydrophobicContact CG2-CD2 4.1Å; V463-L467 HydrophobicContact CG1-CD1 4.2Å; V463-L467 HydrophobicContact CG1-CG 4.47Å; V463-L467 WeakPolarHBondContact O-CB 3.44Å; V463-L467 VanDerWaalsContact O-CG 3.29Å; V463-L467 WeakPolarHBondContact O-CG 3.47Å; V463-L467 PolarHBondContact O-N 2.98Å; S464-L467 PolarHBondContact O-N 3.4Å; L467-G471 PolarHBondContact O-N 2.92Å; L467-L472 HydrophobicContact CD2-CB 4.48Å; L467-L472 HydrophobicContact CD2-CD1 4Å; L467-L472 WeakPolarHBondContact O-CB 3.41Å; L467-L472 PolarHBondContact O-N 2.86Å; L467-V473 HydrophobicContact CB-CB 4.35Å; L467-V473 HydrophobicContact CB-CG2 3.89Å; L467-V473 HydrophobicContact CD1-CG2 4.42Å; L467-V473 PolarHBondContact O-N 3.37Å
468	F	79.3	Confident	79.3	Confident	83 Å²	83	46.2 Å²	46.2	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-67.8	-41.8	170.5	160.2	-105.9	0	0	0	112	S464 E466 A470 G471 G475 V478	S464-F468 PolarHBondContact O-N 3.17Å; S464-F468 VanDerWaalsContact O-N 3.09Å; E466-F468 VanDerWaalsContact C-N 3.35Å; E466-F468 PolarHBondContact O-N 3.36Å; F468-A470 PolarHBondContact O-N 2.86Å; F468-G471 WeakPolarHBondContact O-CA 3.41Å; F468-G471 PolarHBondContact O-N 3.16Å; F468-G475 VanDerWaalsContact CD2-CA 3.44Å; F468-V478 HydrophobicContact CB-CG2 3.5Å; F468-V478 HydrophobicContact CD1-CG2 4.3Å; F468-V478 HydrophobicContact CD2-CG2 4.34Å; F468-V478 HydrophobicContact CG-CG2 3.79Å
469	S	65.3	Low	80	Confident	89 Å²	89	50.7 Å²	50.7	62%	0.622	31%	0.307	S	S	*	.	H	α-helix	trans	-63.6	-30.9	177.8	-56.2	0	0	0	0	112.3	Q465 E466 G471	Q465-S469 WeakPolarHBondContact O-CB 3.46Å; Q465-S469 PolarHBondContact O-N 3.43Å; Q465-S469 PolarHBondContact O-OG 3.21Å; E466-S469 CarbonylContact O-C 3.53Å; E466-S469 WeakPolarHBondContact O-CB 3.41Å; E466-S469 PolarHBondContact O-N 2.93Å; E466-S469 VanDerWaalsContact O-N 3.09Å; S469-G471 VanDerWaalsContact C-N 3.26Å; S469-G471 PolarHBondContact O-N 2.58Å
470	A	62.7	Low	80.2	Confident	42 Å²	42	49.1 Å²	49.1	35%	0.347	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-4	171	0	0	0	0	0	114.3	E466 F468 L472	E466-A470 PolarHBondContact O-N 2.92Å; F468-A470 PolarHBondContact O-N 2.86Å; A470-L472 VanDerWaalsContact C-N 3.34Å; A470-L472 HydrophobicContact CB-CD1 4.05Å; A470-L472 HydrophobicContact CB-CG 3.93Å
471	G	71.4	Confident	80.4	Confident	59 Å²	59	49.3 Å²	49.3	61%	0.608	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	22.5	-178.4	0	0	0	0	0	114.5	L467 F468 S469	L467-G471 PolarHBondContact O-N 2.92Å; F468-G471 WeakPolarHBondContact O-CA 3.41Å; F468-G471 PolarHBondContact O-N 3.16Å; S469-G471 VanDerWaalsContact C-N 3.26Å; S469-G471 PolarHBondContact O-N 2.58Å
472	L	75.4	Confident	80.9	Confident	19 Å²	19	44.2 Å²	44.2	10%	0.099	27%	0.269	C	S	.	.	S	Bend	trans	-97.4	-20.7	-176.7	-55.6	-179.9	0	0	0	113.3	L355 W365 I449 L467 A470	L355-L472 HydrophobicContact CD2-CD1 4.25Å; W365-L472 HydrophobicContact CH2-CD1 4.26Å; W365-L472 HydrophobicContact CZ2-CD1 3.9Å; W365-L472 HydrophobicContact CZ2-CD2 3.99Å; I449-L472 HydrophobicContact CD1-CB 3.79Å; I449-L472 HydrophobicContact CD1-CD1 4.44Å; I449-L472 HydrophobicContact CG2-CD1 4.23Å; L467-L472 HydrophobicContact CD2-CB 4.48Å; L467-L472 HydrophobicContact CD2-CD1 4Å; L467-L472 WeakPolarHBondContact O-CB 3.41Å; L467-L472 PolarHBondContact O-N 2.86Å; A470-L472 VanDerWaalsContact C-N 3.34Å; A470-L472 HydrophobicContact CB-CD1 4.05Å; A470-L472 HydrophobicContact CB-CG 3.93Å
473	V	80.6	Confident	81.7	Confident	8 Å²	8	45.3 Å²	45.3	5%	0.048	28%	0.275	C	S	.	.	S	Bend	trans	-127.7	145.7	176.8	171.3	0	0	0	0	108.5	L437 L467 D477 V481	L437-V473 HydrophobicContact CD2-CG2 3.93Å; L467-V473 HydrophobicContact CB-CB 4.35Å; L467-V473 HydrophobicContact CB-CG2 3.89Å; L467-V473 HydrophobicContact CD1-CG2 4.42Å; L467-V473 PolarHBondContact O-N 3.37Å; V473-D477 HydrophobicContact CG1-CB 3.91Å; V473-V481 HydrophobicContact CG1-CG2 3.89Å; V473-V481 HydrophobicContact CG2-CG2 4.44Å
474	D	83.9	Confident	82.4	Confident	76 Å²	76	45.5 Å²	45.5	41%	0.406	28%	0.277	S	S	.	.			trans	-74.7	148.9	177.3	-170.6	-86.3	0	0	0	111.9	H476 D477 V478	D474-H476 PolarHBondContact O-N 2.95Å; D474-H476 WeakPolarHBondContact OD1-CB 3.45Å; D474-H476 IonicContact OD1-CE1 2.71Å; D474-H476 IonicContact OD1-CG 3.34Å; D474-H476 PolarHBondContact OD1-N 3.38Å; D474-H476 IonicContact OD1-ND1 3.45Å; D474-H476 PolarHBondContact OD1-ND1 2.85Å; D474-D477 HydrophobicContact CB-CB 4.47Å; D474-D477 PolarHBondContact O-N 3.28Å; D474-V478 PolarHBondContact O-N 3.09Å
475	G	84.4	Confident	82.7	Confident	38 Å²	38	45.6 Å²	45.6	39%	0.392	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26	-178.9	0	0	0	0	0	114.5	F468 D477	F468-G475 VanDerWaalsContact CD2-CA 3.44Å; G475-D477 VanDerWaalsContact C-N 3.32Å
476	H	87.8	Confident	83.5	Confident	137 Å²	137	44.4 Å²	44.4	63%	0.634	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-22.9	173.8	-55.6	88.3	0	0	0	112.4	D474 A503	D474-H476 PolarHBondContact O-N 2.95Å; D474-H476 WeakPolarHBondContact OD1-CB 3.45Å; D474-H476 IonicContact OD1-CE1 2.71Å; D474-H476 IonicContact OD1-CG 3.34Å; D474-H476 PolarHBondContact OD1-N 3.38Å; D474-H476 IonicContact OD1-ND1 3.45Å; D474-H476 PolarHBondContact OD1-ND1 2.85Å; H476-A503 WeakPolarHBondContact O-CB 3.32Å
477	D	90.9	Very high	84.2	Confident	3 Å²	3	46 Å²	46	2%	0.016	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-11.5	-172.2	-69.1	-35.7	0	0	0	114.1	V473 D474 G475 V479 I480 V481 L502 A503 S504	V473-D477 HydrophobicContact CG1-CB 3.91Å; D474-D477 HydrophobicContact CB-CB 4.47Å; D474-D477 PolarHBondContact O-N 3.28Å; G475-D477 VanDerWaalsContact C-N 3.32Å; D477-V479 VanDerWaalsContact C-N 3.27Å; D477-V479 PolarHBondContact O-N 2.85Å; D477-I480 HydrophobicContact CB-CG2 4.26Å; D477-I480 VanDerWaalsContact O-CG2 3.28Å; D477-I480 WeakPolarHBondContact O-CG2 3.34Å; D477-I480 PolarHBondContact O-N 2.94Å; D477-V481 HydrophobicContact CB-CG2 4.46Å; D477-V481 WeakPolarHBondContact O-CG2 3.47Å; D477-V481 PolarHBondContact O-N 3.46Å; D477-L502 HydrophobicContact CB-CD2 4.16Å; D477-L502 WeakPolarHBondContact OD1-CB 3.35Å; D477-A503 WeakPolarHBondContact OD1-CA 3.25Å; D477-A503 PolarHBondContact OD1-N 3.49Å; D477-S504 VanDerWaalsContact CG-OG 3.32Å; D477-S504 PolarHBondContact OD1-N 3.03Å; D477-S504 PolarHBondContact OD1-OG 3.02Å; D477-S504 VanDerWaalsContact OD2-CB 3.27Å; D477-S504 WeakPolarHBondContact OD2-CB 3.35Å; D477-S504 PolarHBondContact OD2-OG 3.26Å
478	V	88	Confident	84.7	Confident	19 Å²	19	45.9 Å²	45.9	12%	0.115	28%	0.277	C	S	.	.	H	α-helix	trans	-49.4	-45.8	-178.7	178.4	0	0	0	0	112.6	S464 F468 D474 A482	S464-V478 PolarHBondContact OG-O 2.87Å; F468-V478 HydrophobicContact CB-CG2 3.5Å; F468-V478 HydrophobicContact CD1-CG2 4.3Å; F468-V478 HydrophobicContact CD2-CG2 4.34Å; F468-V478 HydrophobicContact CG-CG2 3.79Å; D474-V478 PolarHBondContact O-N 3.09Å; V478-A482 WeakPolarHBondContact O-CA 3.31Å; V478-A482 PolarHBondContact O-N 3.04Å
479	V	92.1	Very high	85.1	Confident	113 Å²	113	42.8 Å²	42.8	69%	0.685	27%	0.265	S	S	*	.	H	α-helix	trans	-71.3	-33.8	-176.8	-176.3	0	0	0	0	112.2	D477 A482 A483	D477-V479 VanDerWaalsContact C-N 3.27Å; D477-V479 PolarHBondContact O-N 2.85Å; V479-A482 WeakPolarHBondContact O-CA 3.37Å; V479-A483 PolarHBondContact O-N 2.87Å
480	I	91.9	Very high	86	Confident	53 Å²	53	43.9 Å²	43.9	27%	0.272	26%	0.263	S	S	.	.	H	α-helix	trans	-84.9	-29.2	-178.9	-166.5	60.6	0	0	0	112.3	D477 N484 F500 A503	D477-I480 HydrophobicContact CB-CG2 4.26Å; D477-I480 VanDerWaalsContact O-CG2 3.28Å; D477-I480 WeakPolarHBondContact O-CG2 3.34Å; D477-I480 PolarHBondContact O-N 2.94Å; I480-N484 WeakPolarHBondContact CD1-ND2 3.39Å; I480-N484 PolarHBondContact O-N 3.37Å; I480-N484 PolarHBondContact O-ND2 2.92Å; I480-F500 HydrophobicContact CG1-CD2 3.99Å; I480-F500 HydrophobicContact CG2-CE2 4.5Å; I480-A503 HydrophobicContact CG2-CB 4.31Å
481	V	90.4	Very high	87	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.024	27%	0.266	C	S	.	.	H	α-helix	trans	-64.9	-48.4	164.1	174	0	0	0	0	109	L437 S464 V473 D477 A483 N484 L485 F500	L437-V481 HydrophobicContact CD2-CG1 4.17Å; S464-V481 WeakPolarHBondContact OG-CB 3.36Å; S464-V481 WeakPolarHBondContact OG-CG1 3.44Å; V473-V481 HydrophobicContact CG1-CG2 3.89Å; V473-V481 HydrophobicContact CG2-CG2 4.44Å; D477-V481 HydrophobicContact CB-CG2 4.46Å; D477-V481 WeakPolarHBondContact O-CG2 3.47Å; D477-V481 PolarHBondContact O-N 3.46Å; V481-A483 PolarHBondContact O-N 2.71Å; V481-N484 PolarHBondContact O-N 2.94Å; V481-N484 VanDerWaalsContact O-N 3.16Å; V481-L485 WeakPolarHBondContact O-CB 3.22Å; V481-L485 PolarHBondContact O-N 2.84Å; V481-F500 HydrophobicContact CG2-CE2 3.97Å; V481-F500 HydrophobicContact CG2-CZ 4.04Å
482	A	91.1	Very high	87.2	Confident	3 Å²	3	44.4 Å²	44.4	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-30.6	-74.9	162.9	0	0	0	0	0	114.5	A460 S464 V478 V479 N484 L485 Q486	A460-A482 HydrophobicContact CB-CB 3.74Å; A460-A482 WeakPolarHBondContact O-CB 3.37Å; S464-A482 VanDerWaalsContact CB-CB 3.47Å; V478-A482 WeakPolarHBondContact O-CA 3.31Å; V478-A482 PolarHBondContact O-N 3.04Å; V479-A482 WeakPolarHBondContact O-CA 3.37Å; A482-N484 PolarHBondContact O-N 3.44Å; A482-N484 VanDerWaalsContact O-N 3.08Å; A482-L485 HydrophobicContact CB-CB 4.46Å; A482-L485 PolarHBondContact O-N 3.08Å; A482-Q486 PolarHBondContact O-N 2.86Å; A482-Q486 VanDerWaalsContact O-N 3.12Å
483	A	92.6	Very high	87.1	Confident	46 Å²	46	52.4 Å²	52.4	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-66.7	-11.3	-173.2	0	0	0	0	0	114.8	V479 V481 K487	V479-A483 PolarHBondContact O-N 2.87Å; V481-A483 PolarHBondContact O-N 2.71Å; A483-K487 VanDerWaalsContact O-CD 3.28Å; A483-K487 WeakPolarHBondContact O-CD 3.33Å; A483-K487 WeakPolarHBondContact O-CE 3.42Å; A483-K487 VanDerWaalsContact O-CG 3.31Å; A483-K487 WeakPolarHBondContact O-CG 3.4Å; A483-K487 PolarHBondContact O-NZ 2.96Å
484	N	92.9	Very high	86.8	Confident	6 Å²	6	55.3 Å²	55.3	3%	0.032	31%	0.308	C	S	.	.	H	α-helix	trans	-104.4	-27	176.3	-68.2	-57.3	0	0	0	112.9	I480 V481 A482 K487 I488 L498 F500	I480-N484 WeakPolarHBondContact CD1-ND2 3.39Å; I480-N484 PolarHBondContact O-N 3.37Å; I480-N484 PolarHBondContact O-ND2 2.92Å; V481-N484 PolarHBondContact O-N 2.94Å; V481-N484 VanDerWaalsContact O-N 3.16Å; A482-N484 PolarHBondContact O-N 3.44Å; A482-N484 VanDerWaalsContact O-N 3.08Å; N484-K487 PolarHBondContact OD1-NZ 3.26Å; N484-I488 PolarHBondContact O-N 2.84Å; N484-L498 HydrophobicContact CB-CD2 4.04Å; N484-F500 HydrophobicContact CB-CD1 3.81Å; N484-F500 HydrophobicContact CB-CD2 4.48Å; N484-F500 HydrophobicContact CB-CE1 3.95Å; N484-F500 HydrophobicContact CB-CG 4.09Å; N484-F500 HydrophobicContact CB-CZ 4.32Å; N484-F500 WeakPolarHBondContact ND2-CB 3.45Å; N484-F500 WeakPolarHBondContact ND2-CD2 3.44Å; N484-F500 VanDerWaalsContact ND2-CG 3.3Å; N484-F500 WeakPolarHBondContact ND2-CG 3.41Å
485	L	89.9	Confident	86.4	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-45	167.1	176.7	56.2	0	0	0	111.1	L435 F451 F453 A460 V463 V481 A482 K487 I488 V489 L523	L435-L485 HydrophobicContact CD1-CD1 3.32Å; F451-L485 HydrophobicContact CE2-CD1 4.17Å; F451-L485 HydrophobicContact CZ-CD1 4.15Å; F453-L485 HydrophobicContact CD2-CD1 4.16Å; F453-L485 HydrophobicContact CD2-CD2 4.29Å; F453-L485 HydrophobicContact CD2-CG 4.41Å; F453-L485 HydrophobicContact CE2-CD2 4.29Å; F453-L485 HydrophobicContact CE2-CG 4.39Å; A460-L485 HydrophobicContact CB-CB 4.09Å; A460-L485 HydrophobicContact CB-CD2 4.17Å; A460-L485 HydrophobicContact CB-CG 3.92Å; V463-L485 HydrophobicContact CB-CD2 3.85Å; V463-L485 HydrophobicContact CG1-CD2 3.8Å; V481-L485 WeakPolarHBondContact O-CB 3.22Å; V481-L485 PolarHBondContact O-N 2.84Å; A482-L485 HydrophobicContact CB-CB 4.46Å; A482-L485 PolarHBondContact O-N 3.08Å; L485-K487 PolarHBondContact O-N 3.12Å; L485-I488 HydrophobicContact CD1-CG2 4.41Å; L485-I488 PolarHBondContact O-N 2.86Å; L485-V489 HydrophobicContact CD1-CG2 4.06Å; L485-V489 WeakPolarHBondContact O-CG2 3.42Å; L485-V489 PolarHBondContact O-N 3.04Å; L485-V489 VanDerWaalsContact O-N 3.14Å; L485-L523 HydrophobicContact CB-CD2 4.13Å; L485-L523 HydrophobicContact CD1-CD2 4.03Å
486	Q	91.1	Very high	86.1	Confident	70 Å²	70	60 Å²	60	33%	0.327	32%	0.316	S	S	.	.	H	α-helix	trans	-58.8	-46.8	176.7	-166.2	59.7	54.3	0	0	111.6	A460 A482 I488 V489 D490	A460-Q486 HydrophobicContact CB-CB 3.78Å; A482-Q486 PolarHBondContact O-N 2.86Å; A482-Q486 VanDerWaalsContact O-N 3.12Å; Q486-I488 VanDerWaalsContact C-N 3.35Å; Q486-I488 PolarHBondContact O-N 3.4Å; Q486-V489 PolarHBondContact O-N 2.96Å; Q486-V489 VanDerWaalsContact O-N 3.13Å; Q486-D490 PolarHBondContact NE2-OD1 2.83Å; Q486-D490 PolarHBondContact O-N 3.17Å
487	K	89.3	Confident	86.1	Confident	95 Å²	95	57.2 Å²	57.2	41%	0.413	31%	0.309	S	S	.	.	H	α-helix	trans	-57.3	-42.6	178.5	-67.3	168.4	-165.6	156.2	0	113.5	A483 N484 L485 V489 D490 D491 L495 L498	A483-K487 VanDerWaalsContact O-CD 3.28Å; A483-K487 WeakPolarHBondContact O-CD 3.33Å; A483-K487 WeakPolarHBondContact O-CE 3.42Å; A483-K487 VanDerWaalsContact O-CG 3.31Å; A483-K487 WeakPolarHBondContact O-CG 3.4Å; A483-K487 PolarHBondContact O-NZ 2.96Å; N484-K487 PolarHBondContact OD1-NZ 3.26Å; L485-K487 PolarHBondContact O-N 3.12Å; K487-V489 VanDerWaalsContact C-N 3.3Å; K487-D490 PolarHBondContact O-N 3.16Å; K487-D491 PolarHBondContact O-N 3.47Å; K487-L495 HydrophobicContact CB-CD1 4.27Å; K487-L495 WeakPolarHBondContact O-CD1 3.32Å; K487-L498 HydrophobicContact CB-CD1 4.06Å; K487-L498 HydrophobicContact CD-CD1 4.12Å
488	I	88.3	Confident	86.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-73.1	-26.9	-178.3	-140.6	175.3	0	0	0	111.9	L435 N484 L485 Q486 D491 P492 L495 L523 V525	L435-I488 HydrophobicContact CD1-CG2 4.04Å; L435-I488 HydrophobicContact CD2-CD1 4.47Å; L435-I488 HydrophobicContact CD2-CG2 3.68Å; N484-I488 PolarHBondContact O-N 2.84Å; L485-I488 HydrophobicContact CD1-CG2 4.41Å; L485-I488 PolarHBondContact O-N 2.86Å; Q486-I488 VanDerWaalsContact C-N 3.35Å; Q486-I488 PolarHBondContact O-N 3.4Å; I488-D491 CarbonylContact O-C 3.29Å; I488-P492 WeakPolarHBondContact O-CA 3.4Å; I488-P492 WeakPolarHBondContact O-CB 3.3Å; I488-P492 WeakPolarHBondContact O-CD 3.35Å; I488-P492 VanDerWaalsContact O-N 3.16Å; I488-L495 WeakPolarHBondContact CD1-O 3.49Å; I488-L495 HydrophobicContact CG1-CB 4.09Å; I488-L495 WeakPolarHBondContact CG1-O 3.28Å; I488-L523 HydrophobicContact CB-CD2 4.1Å; I488-L523 HydrophobicContact CD1-CB 4.29Å; I488-L523 HydrophobicContact CD1-CD2 4.3Å; I488-L523 HydrophobicContact CD1-CG 3.89Å; I488-L523 HydrophobicContact CG2-CD2 3.51Å; I488-L523 HydrophobicContact CG2-CG 4.06Å; I488-V525 HydrophobicContact CD1-CG2 3.97Å; I488-V525 HydrophobicContact CG1-CG2 3.97Å
489	V	86.4	Confident	86.4	Confident	18 Å²	18	59.4 Å²	59.4	11%	0.109	32%	0.322	C	S	.	.	H	α-helix	trans	-80.2	-32	175.9	168.4	0	0	0	0	111.9	L435 F453 P455 L485 Q486 K487 P492	L435-V489 HydrophobicContact CD1-CG2 4.23Å; F453-V489 HydrophobicContact CB-CG2 4.5Å; F453-V489 HydrophobicContact CD1-CB 4.42Å; F453-V489 HydrophobicContact CD1-CG1 3.83Å; F453-V489 HydrophobicContact CD1-CG2 3.63Å; F453-V489 HydrophobicContact CD2-CG2 4.23Å; F453-V489 HydrophobicContact CE1-CB 4.3Å; F453-V489 HydrophobicContact CE1-CG1 3.49Å; F453-V489 VanDerWaalsContact CE1-CG1 3.49Å; F453-V489 HydrophobicContact CE1-CG2 3.87Å; F453-V489 HydrophobicContact CE2-CG2 4.42Å; F453-V489 HydrophobicContact CG-CG2 3.85Å; F453-V489 HydrophobicContact CZ-CG1 4.2Å; F453-V489 HydrophobicContact CZ-CG2 4.25Å; P455-V489 HydrophobicContact CG-CG1 4.33Å; L485-V489 HydrophobicContact CD1-CG2 4.06Å; L485-V489 WeakPolarHBondContact O-CG2 3.42Å; L485-V489 PolarHBondContact O-N 3.04Å; L485-V489 VanDerWaalsContact O-N 3.14Å; Q486-V489 PolarHBondContact O-N 2.96Å; Q486-V489 VanDerWaalsContact O-N 3.13Å; K487-V489 VanDerWaalsContact C-N 3.3Å; V489-P492 WeakPolarHBondContact O-CD 3.42Å
490	D	85.6	Confident	86.5	Confident	111 Å²	111	54.7 Å²	54.7	59%	0.594	29%	0.292	S	S	*	.	H	α-helix	trans	-68.7	-37	178.1	-66.4	-24.3	0	0	0	112.4	Q486 K487	Q486-D490 PolarHBondContact NE2-OD1 2.83Å; Q486-D490 PolarHBondContact O-N 3.17Å; K487-D490 PolarHBondContact O-N 3.16Å
491	D	83	Confident	86.6	Confident	73 Å²	73	58 Å²	58	39%	0.39	31%	0.305	S	S	.	.			trans	-142.6	78.5	170.8	-168.8	-12.1	0	0	0	112.9	K487 I488 K493 A494 L495	K487-D491 PolarHBondContact O-N 3.47Å; I488-D491 CarbonylContact O-C 3.29Å; D491-K493 PolarHBondContact O-N 3.41Å; D491-K493 VanDerWaalsContact O-N 3.15Å; D491-K493 PolarHBondContact OD1-N 3.24Å; D491-K493 VanDerWaalsContact OD1-N 3.07Å; D491-A494 HydrophobicContact CB-CB 4.41Å; D491-A494 VanDerWaalsContact CG-CB 3.48Å; D491-A494 PolarHBondContact O-N 3.08Å; D491-A494 PolarHBondContact OD1-N 3.03Å; D491-A494 WeakPolarHBondContact OD2-CB 3.38Å; D491-L495 WeakPolarHBondContact O-CB 3.39Å; D491-L495 PolarHBondContact O-N 3.29Å
492	P	75.9	Confident	86.6	Confident	39 Å²	39	58.6 Å²	58.6	25%	0.253	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-5.7	177.7	27.9	-35.2	0	0	0	113.3	V433 I488 V489 V525	V433-P492 HydrophobicContact CG1-CB 4.17Å; I488-P492 WeakPolarHBondContact O-CA 3.4Å; I488-P492 WeakPolarHBondContact O-CB 3.3Å; I488-P492 WeakPolarHBondContact O-CD 3.35Å; I488-P492 VanDerWaalsContact O-N 3.16Å; V489-P492 WeakPolarHBondContact O-CD 3.42Å; P492-V525 HydrophobicContact CB-CG2 3.94Å
493	K	72.2	Confident	86.4	Confident	187 Å²	187	61.8 Å²	61.8	81%	0.813	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-36.1	179.5	-68.4	-179.9	-178.5	173.2	0	111.6	D491	D491-K493 PolarHBondContact O-N 3.41Å; D491-K493 VanDerWaalsContact O-N 3.15Å; D491-K493 PolarHBondContact OD1-N 3.24Å; D491-K493 VanDerWaalsContact OD1-N 3.07Å
494	A	74.4	Confident	86	Confident	70 Å²	70	62.2 Å²	62.2	58%	0.579	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-42.9	169.8	0	0	0	0	0	112.4	D491 K496	D491-A494 HydrophobicContact CB-CB 4.41Å; D491-A494 VanDerWaalsContact CG-CB 3.48Å; D491-A494 PolarHBondContact O-N 3.08Å; D491-A494 PolarHBondContact OD1-N 3.03Å; D491-A494 WeakPolarHBondContact OD2-CB 3.38Å; A494-K496 PolarHBondContact O-N 2.95Å
495	L	76.5	Confident	85.3	Confident	64 Å²	64	63.1 Å²	63.1	34%	0.335	35%	0.345	S	S	.	.			trans	-97.9	68.7	-171.6	-65.5	171.1	0	0	0	112.4	K487 I488 D491 T497	K487-L495 HydrophobicContact CB-CD1 4.27Å; K487-L495 WeakPolarHBondContact O-CD1 3.32Å; I488-L495 WeakPolarHBondContact CD1-O 3.49Å; I488-L495 HydrophobicContact CG1-CB 4.09Å; I488-L495 WeakPolarHBondContact CG1-O 3.28Å; D491-L495 WeakPolarHBondContact O-CB 3.39Å; D491-L495 PolarHBondContact O-N 3.29Å; L495-T497 PolarHBondContact O-N 2.71Å
496	K	78.6	Confident	84.5	Confident	148 Å²	148	65.1 Å²	65.1	64%	0.643	36%	0.358	S	S	*	.	S	Bend	trans	-62.2	-27.7	175.6	-67.4	-166.3	173.1	-164	0	114.2	A494 S524 V525	A494-K496 PolarHBondContact O-N 2.95Å; K496-S524 VanDerWaalsContact O-CA 3.3Å; K496-S524 WeakPolarHBondContact O-CA 3.39Å; K496-S524 WeakPolarHBondContact O-CB 3.42Å; K496-V525 PolarHBondContact O-N 3.16Å
497	T	87.3	Confident	83.4	Confident	78 Å²	78	66.2 Å²	66.2	48%	0.479	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	136.3	-178.8	-53.1	0	0	0	0	109.8	L495 Q522 L523	L495-T497 PolarHBondContact O-N 2.71Å; T497-Q522 HydrophobicContact CG2-CG 3.64Å; T497-L523 CarbonylContact C-O 3.59Å; T497-L523 WeakPolarHBondContact CA-O 3.5Å
498	L	91.3	Very high	82.2	Confident	26 Å²	26	66.3 Å²	66.3	14%	0.136	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	108.3	-177.8	-165.6	166.5	0	0	0	108.6	N484 K487 F500 L523	N484-L498 HydrophobicContact CB-CD2 4.04Å; K487-L498 HydrophobicContact CB-CD1 4.06Å; K487-L498 HydrophobicContact CD-CD1 4.12Å; L498-F500 HydrophobicContact CD2-CB 3.98Å; L498-F500 HydrophobicContact CD2-CD1 3.79Å; L498-F500 HydrophobicContact CD2-CG 4.33Å; L498-L523 PolarHBondContact N-O 3.07Å; L498-L523 PolarHBondContact O-N 3.15Å
499	T	93.5	Very high	81.2	Confident	42 Å²	42	71.2 Å²	71.2	26%	0.258	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.9	170.3	-49.2	0	0	0	0	109.5	E514 L517 F520 A521 Q522	T499-E514 HydrophobicContact CG2-CG 3.6Å; T499-L517 HydrophobicContact CG2-CD2 3.65Å; T499-F520 HydrophobicContact CG2-CB 4.23Å; T499-F520 HydrophobicContact CG2-CD1 4.38Å; T499-A521 CarbonylContact C-O 3.45Å; T499-A521 WeakPolarHBondContact CA-O 3.28Å; T499-Q522 PolarHBondContact OG1-NE2 2.86Å
500	F	94.4	Very high	80.8	Confident	14 Å²	14	73.8 Å²	73.8	6%	0.061	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	150.2	-179.2	59.4	-84.9	0	0	0	111.9	L437 I480 V481 N484 L498 L502 F520 A521 L523	L437-F500 HydrophobicContact CD1-CE1 4.33Å; L437-F500 HydrophobicContact CD1-CZ 4.05Å; I480-F500 HydrophobicContact CG1-CD2 3.99Å; I480-F500 HydrophobicContact CG2-CE2 4.5Å; V481-F500 HydrophobicContact CG2-CE2 3.97Å; V481-F500 HydrophobicContact CG2-CZ 4.04Å; N484-F500 HydrophobicContact CB-CD1 3.81Å; N484-F500 HydrophobicContact CB-CD2 4.48Å; N484-F500 HydrophobicContact CB-CE1 3.95Å; N484-F500 HydrophobicContact CB-CG 4.09Å; N484-F500 HydrophobicContact CB-CZ 4.32Å; N484-F500 WeakPolarHBondContact ND2-CB 3.45Å; N484-F500 WeakPolarHBondContact ND2-CD2 3.44Å; N484-F500 VanDerWaalsContact ND2-CG 3.3Å; N484-F500 WeakPolarHBondContact ND2-CG 3.41Å; L498-F500 HydrophobicContact CD2-CB 3.98Å; L498-F500 HydrophobicContact CD2-CD1 3.79Å; L498-F500 HydrophobicContact CD2-CG 4.33Å; F500-L502 HydrophobicContact CD2-CD2 4.44Å; F500-L502 HydrophobicContact CE2-CD2 4Å; F500-F520 CarbonylContact O-C 3.58Å; F500-F520 WeakPolarHBondContact O-CA 3.21Å; F500-F520 WeakPolarHBondContact O-CB 3.47Å; F500-A521 HydrophobicContact CE1-CB 4.16Å; F500-A521 HydrophobicContact CE2-CB 3.98Å; F500-A521 HydrophobicContact CZ-CB 3.76Å; F500-A521 PolarHBondContact N-O 3.47Å; F500-A521 PolarHBondContact O-N 2.97Å; F500-L523 HydrophobicContact CE1-CB 4.11Å
501	K	93.1	Very high	80.7	Confident	124 Å²	124	75.3 Å²	75.3	54%	0.539	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	138.5	178.5	-166	-175.8	174.2	-177.5	0	110.5	G519 F520	K501-G519 WeakPolarHBondContact CG-O 3.34Å; K501-F520 HydrophobicContact CB-CD1 3.89Å; K501-F520 HydrophobicContact CB-CE1 3.83Å; K501-F520 HydrophobicContact CG-CD1 4.3Å; K501-F520 HydrophobicContact CG-CE1 4.13Å; K501-F520 HydrophobicContact CG-CZ 4.35Å
502	L	91.1	Very high	80.8	Confident	15 Å²	15	75.1 Å²	75.1	8%	0.079	45%	0.449	C	S	.	.			trans	-80.2	147.9	173.2	-65.1	-179.2	0	0	0	111.4	D477 F500 G505 G519 A521	D477-L502 HydrophobicContact CB-CD2 4.16Å; D477-L502 WeakPolarHBondContact OD1-CB 3.35Å; F500-L502 HydrophobicContact CD2-CD2 4.44Å; F500-L502 HydrophobicContact CE2-CD2 4Å; L502-G505 PolarHBondContact O-N 2.8Å; L502-G519 PolarHBondContact N-O 3.31Å; L502-A521 HydrophobicContact CD1-CB 4.4Å; L502-A521 HydrophobicContact CD2-CB 3.75Å; L502-A521 HydrophobicContact CG-CB 4.21Å
503	A	87.6	Confident	81.4	Confident	71 Å²	71	75.1 Å²	75.1	59%	0.587	45%	0.447	S	S	*	.	S	Bend	trans	-81.1	-29.9	177	0	0	0	0	0	111.8	H476 D477 I480 G505	H476-A503 WeakPolarHBondContact O-CB 3.32Å; D477-A503 WeakPolarHBondContact OD1-CA 3.25Å; D477-A503 PolarHBondContact OD1-N 3.49Å; I480-A503 HydrophobicContact CG2-CB 4.31Å; A503-G505 PolarHBondContact O-N 2.75Å
504	S	83.5	Confident	82.2	Confident	54 Å²	54	71.4 Å²	71.4	38%	0.378	43%	0.432	S	S	.	.	S	Bend	trans	-59.4	-29	165.7	60.7	0	0	0	0	112.6	D477	D477-S504 VanDerWaalsContact CG-OG 3.32Å; D477-S504 PolarHBondContact OD1-N 3.03Å; D477-S504 PolarHBondContact OD1-OG 3.02Å; D477-S504 VanDerWaalsContact OD2-CB 3.27Å; D477-S504 WeakPolarHBondContact OD2-CB 3.35Å; D477-S504 PolarHBondContact OD2-OG 3.26Å
505	G	78.5	Confident	82.8	Confident	25 Å²	25	74.8 Å²	74.8	26%	0.258	45%	0.445	S	S	.	.			trans	75.9	-136.8	176	0	0	0	0	0	113.1	L502 A503 G519	L502-G505 PolarHBondContact O-N 2.8Å; A503-G505 PolarHBondContact O-N 2.75Å; G505-G519 WeakPolarHBondContact O-CA 3.04Å
506	C	73.3	Confident	83.2	Confident	44 Å²	44	77.3 Å²	77.3	30%	0.297	45%	0.454	S	S	.	.			trans	-140.4	161.6	172	65.6	0	0	0	0	109.8	E510 I518	C506-E510 HydrophobicContact CB-CB 4.46Å; C506-I518 HydrophobicContact CB-CG2 4.06Å
507	D	67.6	Low	83.6	Confident	92 Å²	92	70.6 Å²	70.6	49%	0.492	43%	0.425	S	S	.	.			trans	-54.4	144.9	175.2	-81.5	-22.4	0	0	0	111	K444 S509 E510	K444-D507 WeakPolarHBondContact CE-OD2 3.29Å; K444-D507 IonicContact NZ-OD2 3.66Å; K444-D507 PolarHBondContact NZ-OD2 3.32Å; D507-S509 PolarHBondContact O-N 2.75Å; D507-E510 PolarHBondContact O-N 3.29Å
508	G	63.1	Low	83.6	Confident	98 Å²	98	68.3 Å²	68.3	100%	1.01	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	5	178.4	0	0	0	0	0	115.8
509	S	69	Low	83.5	Confident	102 Å²	102	67.5 Å²	67.5	71%	0.713	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-5	171	57.7	0	0	0	0	113.5	D507	D507-S509 PolarHBondContact O-N 2.75Å
510	E	77.4	Confident	83.5	Confident	72 Å²	72	67.1 Å²	67.1	34%	0.336	40%	0.402	S	S	.	.	S	Bend	trans	-117.3	149.4	-174.8	-76.4	171.3	174.5	0	0	112	K444 C506 D507 I518	K444-E510 WeakPolarHBondContact CD-OE1 3.43Å; K444-E510 IonicContact NZ-OE1 2.65Å; K444-E510 PolarHBondContact NZ-OE1 2.73Å; K444-E510 IonicContact NZ-OE2 2.65Å; K444-E510 PolarHBondContact NZ-OE2 2.74Å; C506-E510 HydrophobicContact CB-CB 4.46Å; D507-E510 PolarHBondContact O-N 3.29Å; E510-I518 HydrophobicContact CB-CG2 4.12Å
511	I	82.4	Confident	83.4	Confident	144 Å²	144	66.4 Å²	66.4	74%	0.738	40%	0.399	S	S	*	.			trans	-96.7	126.3	176.5	-57.5	175.3	0	0	0	107	D513	I511-D513 PolarHBondContact O-N 3.25Å
512	P	86.7	Confident	83.5	Confident	68 Å²	68	62.6 Å²	62.6	44%	0.442	38%	0.384	S	S	.	.			trans	-56.4	131.9	175.1	-24.2	32.2	0	0	0	111.6	I518 F520	P512-I518 VanDerWaalsContact CA-O 3.31Å; P512-I518 WeakPolarHBondContact CA-O 3.19Å; P512-F520 HydrophobicContact CB-CE2 4.01Å
513	D	88.8	Confident	83.6	Confident	40 Å²	40	62 Å²	62	21%	0.214	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-143	111.3	-174.8	-174.1	-41.1	0	0	0	109	I511 V515 K516 L517 I518	I511-D513 PolarHBondContact O-N 3.25Å; D513-V515 PolarHBondContact OD1-N 2.77Å; D513-K516 HydrophobicContact CB-CB 4.09Å; D513-K516 HydrophobicContact CB-CG 4.5Å; D513-K516 PolarHBondContact OD1-N 2.86Å; D513-K516 WeakPolarHBondContact OD2-CD 3.3Å; D513-K516 WeakPolarHBondContact OD2-CG 3.37Å; D513-K516 IonicContact OD2-NZ 3.46Å; D513-K516 PolarHBondContact OD2-NZ 3.13Å; D513-L517 CarbonylContact O-C 3.54Å; D513-L517 WeakPolarHBondContact O-CA 3.44Å; D513-L517 PolarHBondContact O-N 3.14Å; D513-I518 HydrophobicContact CB-CB 4.11Å; D513-I518 HydrophobicContact CB-CD1 4.13Å; D513-I518 HydrophobicContact CB-CG1 4.32Å; D513-I518 PolarHBondContact N-O 3.4Å; D513-I518 VanDerWaalsContact N-O 3.09Å; D513-I518 PolarHBondContact O-N 2.93Å
514	E	88.6	Confident	83.7	Confident	108 Å²	108	59.9 Å²	59.9	51%	0.505	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-37.7	-176.3	-170.3	179.3	165.6	0	0	112.1	T499 L517 F520	T499-E514 HydrophobicContact CG2-CG 3.6Å; E514-L517 WeakPolarHBondContact O-CD2 3.05Å; E514-L517 PolarHBondContact O-N 3.39Å; E514-F520 HydrophobicContact CB-CD1 4.3Å; E514-F520 HydrophobicContact CB-CD2 4.29Å; E514-F520 HydrophobicContact CB-CE1 4.13Å; E514-F520 HydrophobicContact CB-CE2 4.13Å; E514-F520 HydrophobicContact CB-CG 4.39Å; E514-F520 HydrophobicContact CB-CZ 4.05Å; E514-F520 HydrophobicContact CG-CD1 4.01Å; E514-F520 HydrophobicContact CG-CE1 4.07Å; E514-F520 HydrophobicContact CG-CG 4.38Å; E514-F520 HydrophobicContact CG-CZ 4.5Å
515	V	85.7	Confident	83.8	Confident	141 Å²	141	59.3 Å²	59.3	86%	0.855	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-34.1	-178.2	-175.9	0	0	0	0	111	D513	D513-V515 PolarHBondContact OD1-N 2.77Å
516	K	84.6	Confident	83.3	Confident	117 Å²	117	63.6 Å²	63.6	51%	0.509	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	0.2	174.3	-58.4	-172.4	-168	84.4	0	113.3	R440 D513 I518	R440-K516 VanDerWaalsContact CZ-O 3.31Å; R440-K516 PolarHBondContact NE-O 2.92Å; R440-K516 PolarHBondContact NH2-O 2.9Å; D513-K516 HydrophobicContact CB-CB 4.09Å; D513-K516 HydrophobicContact CB-CG 4.5Å; D513-K516 PolarHBondContact OD1-N 2.86Å; D513-K516 WeakPolarHBondContact OD2-CD 3.3Å; D513-K516 WeakPolarHBondContact OD2-CG 3.37Å; D513-K516 IonicContact OD2-NZ 3.46Å; D513-K516 PolarHBondContact OD2-NZ 3.13Å; K516-I518 VanDerWaalsContact C-N 3.33Å; K516-I518 HydrophobicContact CB-CD1 3.96Å; K516-I518 HydrophobicContact CB-CG1 3.95Å; K516-I518 HydrophobicContact CD-CD1 4.26Å; K516-I518 PolarHBondContact O-N 3.16Å
517	L	88.6	Confident	83.8	Confident	7 Å²	7	64.6 Å²	64.6	4%	0.037	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	50.4	-174.3	-60.3	173.8	0	0	0	112.8	R438 R440 L446 T499 D513 E514 F520 Q522	R438-L517 HydrophobicContact CB-CD1 4.33Å; R438-L517 HydrophobicContact CG-CD1 3.6Å; R440-L517 WeakPolarHBondContact CD-O 3.4Å; R440-L517 WeakPolarHBondContact CG-O 3.43Å; R440-L517 PolarHBondContact NE-O 3.2Å; R440-L517 VanDerWaalsContact NE-O 3.15Å; L446-L517 HydrophobicContact CD2-CB 4Å; L446-L517 HydrophobicContact CD2-CD1 4.26Å; T499-L517 HydrophobicContact CG2-CD2 3.65Å; D513-L517 CarbonylContact O-C 3.54Å; D513-L517 WeakPolarHBondContact O-CA 3.44Å; D513-L517 PolarHBondContact O-N 3.14Å; E514-L517 WeakPolarHBondContact O-CD2 3.05Å; E514-L517 PolarHBondContact O-N 3.39Å; L517-F520 HydrophobicContact CD2-CB 3.85Å; L517-Q522 HydrophobicContact CD1-CB 3.89Å; L517-Q522 HydrophobicContact CD2-CB 3.99Å
518	I	87.4	Confident	84.7	Confident	30 Å²	30	63.1 Å²	63.1	15%	0.154	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-97.9	103	173.3	-59.9	175.1	0	0	0	107.2	C506 E510 P512 D513 K516 F520	C506-I518 HydrophobicContact CB-CG2 4.06Å; E510-I518 HydrophobicContact CB-CG2 4.12Å; P512-I518 VanDerWaalsContact CA-O 3.31Å; P512-I518 WeakPolarHBondContact CA-O 3.19Å; D513-I518 HydrophobicContact CB-CB 4.11Å; D513-I518 HydrophobicContact CB-CD1 4.13Å; D513-I518 HydrophobicContact CB-CG1 4.32Å; D513-I518 PolarHBondContact N-O 3.4Å; D513-I518 VanDerWaalsContact N-O 3.09Å; D513-I518 PolarHBondContact O-N 2.93Å; K516-I518 VanDerWaalsContact C-N 3.33Å; K516-I518 HydrophobicContact CB-CD1 3.96Å; K516-I518 HydrophobicContact CB-CG1 3.95Å; K516-I518 HydrophobicContact CD-CD1 4.26Å; K516-I518 PolarHBondContact O-N 3.16Å; I518-F520 VanDerWaalsContact C-N 3.31Å; I518-F520 WeakPolarHBondContact O-CD2 3.01Å
519	G	88.4	Confident	85.9	Confident	10 Å²	10	61.2 Å²	61.2	10%	0.103	35%	0.345	C	S	.	.	S	Bend	trans	75.3	18	-170.4	0	0	0	0	0	114.8	K501 L502 G505	K501-G519 WeakPolarHBondContact CG-O 3.34Å; L502-G519 PolarHBondContact N-O 3.31Å; G505-G519 WeakPolarHBondContact O-CA 3.04Å
520	F	94.2	Very high	86.9	Confident	33 Å²	33	58.8 Å²	58.8	15%	0.145	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	156.1	173.5	-63.2	-103.6	0	0	0	109.6	T499 F500 K501 P512 E514 L517 I518	T499-F520 HydrophobicContact CG2-CB 4.23Å; T499-F520 HydrophobicContact CG2-CD1 4.38Å; F500-F520 CarbonylContact O-C 3.58Å; F500-F520 WeakPolarHBondContact O-CA 3.21Å; F500-F520 WeakPolarHBondContact O-CB 3.47Å; K501-F520 HydrophobicContact CB-CD1 3.89Å; K501-F520 HydrophobicContact CB-CE1 3.83Å; K501-F520 HydrophobicContact CG-CD1 4.3Å; K501-F520 HydrophobicContact CG-CE1 4.13Å; K501-F520 HydrophobicContact CG-CZ 4.35Å; P512-F520 HydrophobicContact CB-CE2 4.01Å; E514-F520 HydrophobicContact CB-CD1 4.3Å; E514-F520 HydrophobicContact CB-CD2 4.29Å; E514-F520 HydrophobicContact CB-CE1 4.13Å; E514-F520 HydrophobicContact CB-CE2 4.13Å; E514-F520 HydrophobicContact CB-CG 4.39Å; E514-F520 HydrophobicContact CB-CZ 4.05Å; E514-F520 HydrophobicContact CG-CD1 4.01Å; E514-F520 HydrophobicContact CG-CE1 4.07Å; E514-F520 HydrophobicContact CG-CG 4.38Å; E514-F520 HydrophobicContact CG-CZ 4.5Å; L517-F520 HydrophobicContact CD2-CB 3.85Å; I518-F520 VanDerWaalsContact C-N 3.31Å; I518-F520 WeakPolarHBondContact O-CD2 3.01Å
521	A	92.8	Very high	87.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	161.2	165.7	0	0	0	0	0	109.7	L437 R438 L439 T499 F500 L502	L437-A521 HydrophobicContact CD1-CB 4.21Å; R438-A521 CarbonylContact O-C 3.58Å; R438-A521 WeakPolarHBondContact O-CA 3.46Å; L439-A521 HydrophobicContact CB-CB 3.77Å; T499-A521 CarbonylContact C-O 3.45Å; T499-A521 WeakPolarHBondContact CA-O 3.28Å; F500-A521 HydrophobicContact CE1-CB 4.16Å; F500-A521 HydrophobicContact CE2-CB 3.98Å; F500-A521 HydrophobicContact CZ-CB 3.76Å; F500-A521 PolarHBondContact N-O 3.47Å; F500-A521 PolarHBondContact O-N 2.97Å; L502-A521 HydrophobicContact CD1-CB 4.4Å; L502-A521 HydrophobicContact CD2-CB 3.75Å; L502-A521 HydrophobicContact CG-CB 4.21Å
522	Q	94.4	Very high	87.8	Confident	44 Å²	44	52.2 Å²	52.2	21%	0.206	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.9	178.9	174.3	168.9	88.3	0	0	108.9	R438 T497 T499 L517	R438-Q522 HydrophobicContact CB-CB 4.44Å; R438-Q522 PolarHBondContact N-O 3.4Å; R438-Q522 PolarHBondContact O-N 2.92Å; T497-Q522 HydrophobicContact CG2-CG 3.64Å; T499-Q522 PolarHBondContact OG1-NE2 2.86Å; L517-Q522 HydrophobicContact CD1-CB 3.89Å; L517-Q522 HydrophobicContact CD2-CB 3.99Å
523	L	92.3	Very high	87.9	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.6	172.2	-172.3	64.3	0	0	0	108.6	L435 V436 L437 F451 L485 I488 T497 L498 F500	L435-L523 HydrophobicContact CB-CD1 4.3Å; V436-L523 WeakPolarHBondContact O-CA 3.31Å; L437-L523 HydrophobicContact CB-CD1 3.94Å; L437-L523 HydrophobicContact CD1-CB 4.39Å; L437-L523 HydrophobicContact CD1-CD1 4.24Å; F451-L523 HydrophobicContact CE1-CD1 4.37Å; F451-L523 HydrophobicContact CZ-CD1 4.2Å; L485-L523 HydrophobicContact CB-CD2 4.13Å; L485-L523 HydrophobicContact CD1-CD2 4.03Å; I488-L523 HydrophobicContact CB-CD2 4.1Å; I488-L523 HydrophobicContact CD1-CB 4.29Å; I488-L523 HydrophobicContact CD1-CD2 4.3Å; I488-L523 HydrophobicContact CD1-CG 3.89Å; I488-L523 HydrophobicContact CG2-CD2 3.51Å; I488-L523 HydrophobicContact CG2-CG 4.06Å; T497-L523 CarbonylContact C-O 3.59Å; T497-L523 WeakPolarHBondContact CA-O 3.5Å; L498-L523 PolarHBondContact N-O 3.07Å; L498-L523 PolarHBondContact O-N 3.15Å; F500-L523 HydrophobicContact CE1-CB 4.11Å
524	S	89.8	Confident	87.8	Confident	25 Å²	25	51.9 Å²	51.9	18%	0.175	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	148.8	179.2	48.9	0	0	0	0	111.9	L435 V436 K496	L435-S524 CarbonylContact C-O 3.57Å; L435-S524 WeakPolarHBondContact CA-O 3.35Å; V436-S524 PolarHBondContact N-O 3.5Å; V436-S524 PolarHBondContact O-N 3.41Å; V436-S524 PolarHBondContact O-OG 3.16Å; K496-S524 VanDerWaalsContact O-CA 3.3Å; K496-S524 WeakPolarHBondContact O-CA 3.39Å; K496-S524 WeakPolarHBondContact O-CB 3.42Å
525	V	85.7	Confident	87.7	Confident	42 Å²	42	47.3 Å²	47.3	26%	0.255	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	133	169	-171.5	0	0	0	0	108.5	V433 N434 L435 I488 P492 K496	V433-V525 HydrophobicContact CG1-CG1 3.97Å; V433-V525 HydrophobicContact CG1-CG2 4.42Å; N434-V525 WeakPolarHBondContact O-CA 3.2Å; L435-V525 HydrophobicContact CD2-CB 4.46Å; L435-V525 HydrophobicContact CD2-CG2 3.96Å; I488-V525 HydrophobicContact CD1-CG2 3.97Å; I488-V525 HydrophobicContact CG1-CG2 3.97Å; P492-V525 HydrophobicContact CB-CG2 3.94Å; K496-V525 PolarHBondContact O-N 3.16Å
526	S	69	Low	87.9	Confident	115 Å²	115	38.7 Å²	38.7	80%	0.804	22%	0.218	S	C	*	.			trans	-89	0	-179.6	-166.2	0	0	0	0	114	N434	N434-S526 PolarHBondContact O-N 3.28Å

Retrieved 526 of 526 residues in 177.7 ms (Link to these results)

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